# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-03T14:24:39+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2011 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1501461","3.9092","","3.9092","","14.1353","","90","","90","","90","","216.013","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe2 K0.8 Se1.96 -","- Fe2 K0.792 Se2 -","- Fe4 K1.584 Se4 -","2","0.0625","","Krzton-Maziopa, A.; Shermadini, Z.; Pomjakushina, E.; Pomjakushina, V.; Bendele, M.; Amato, A.; Khasanov, R.; Luetkens, H.; Conder, K.","Synthesis and crystal growth of Cs0.8(FeSe0.98)2: a new iron-based superconductor with Tc=27K","Journal of Physics: Condensed Matter","2011","23","","1","4","","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1501462","3.9601","","3.9601","","15.2846","","90","","90","","90","","239.699","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Cs0.8 Fe2 Se1.96 -","- Cs0.771 Fe2 Se2 -","- Cs1.542 Fe4 Se4 -","2","0.0625","","Krzton-Maziopa, A.; Shermadini, Z.; Pomjakushina, E.; Pomjakushina, V.; Bendele, M.; Amato, A.; Khasanov, R.; Luetkens, H.; Conder, K.","Synthesis and crystal growth of Cs0.8(FeSe0.98)2: a new iron-based superconductor with Tc=27K","Journal of Physics: Condensed Matter","2011","23","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1501463","4.7402","","4.7402","","26.0028","","90","","90","","120","","505.992","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe7 Mo6 -","- Fe7 Mo6 -","- Fe21 Mo18 -","3","0.0833333","","Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique","Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system","Physical Review B","2011","83","18","184201","","10.1103/PhysRevB.83.184201","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501464","4.6594","","4.6594","","7.7433","","90","","90","","120","","145.585","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe2 Mo -","- Fe2 Mo -","- Fe8 Mo4 -","4","0.166667","","Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique","Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system","Physical Review B","2011","83","18","184201","","10.1103/PhysRevB.83.184201","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501471","11.4616","0.0002","16.3861","0.0003","20.877","0.0004","90","","95.0205","0.0011","90","","3905.89","0.12","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H35 Cd Cl N4 O7 -","- C45 H35 Cd Cl N4 O7 -","- C180 H140 Cd4 Cl4 N16 O28 -","4","1","","Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau","Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes","Chemical Communications","2011","47","37","10431","10433","10.1039/c1cc13961d","","","0.71073","MoKα","","0.0631","0.0364","","","0.0765","0.0859","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501472","11.4117","0.0002","16.3761","0.0002","20.9794","0.0003","90","","95.007","0.0009","90","","3905.65","0.1","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H35 Cl Hg N4 O7 -","- C45 H35 Cl Hg N4 O7 -","- C180 H140 Cl4 Hg4 N16 O28 -","4","1","","Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau","Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes","Chemical Communications","2011","47","37","10431","10433","10.1039/c1cc13961d","","","0.71073","MoKα","","0.0565","0.0324","","","0.0608","0.0674","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501473","10.1785","0.0002","16.3337","0.0005","24.162","0.0005","90","","91.037","0.0014","90","","4016.34","0.17","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 F3 N4 O7 S Zn -","- C45 H35 F3 N4 O7 S Zn -","- C180 H140 F12 N16 O28 S4 Zn4 -","4","1","","Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau","Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes","Chemical Communications","2011","47","37","10431","10433","10.1039/c1cc13961d","","","0.71073","MoKα","","0.0829","0.0432","","","0.0883","0.1034","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501474","13.2066","0.0002","13.243","0.0001","14.306","0.0002","102.54","0.0009","116.809","0.0006","99.7178","0.0009","2075.18","0.05","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cd Cl N5 O8 -","- C46 H38 Cd Cl N5 O8 -","- C92 H76 Cd2 Cl2 N10 O16 -","2","1","","Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau","Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes","Chemical Communications","2011","47","37","10431","10433","10.1039/c1cc13961d","","","0.71073","MoKα","","0.0469","0.0348","","","0.0749","0.0803","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501546","8.0471","0.0004","10.3951","0.0005","11.689","0.0005","67.342","0.002","85.03","0.002","89.545","0.002","898.59","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C17 H26 N6 O2 -","- C17 H26 N6 O2 -","- C34 H52 N12 O4 -","2","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.0433","0.0422","","","0.1164","0.1177","","","","","","1.031","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501547","50.606","0.004","7.9595","0.0007","14.0826","0.0012","90","","95.126","0.004","90","","5649.8","0.8","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 N6 O4 -","- C28 H40 N6 O4 -","- C224 H320 N48 O32 -","8","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1332","0.0597","","","0.1367","0.1703","","","","","","1.006","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501548","4.8615","0.0006","7.4585","0.0009","19.034","0.003","83.881","0.007","84.671","0.007","79.308","0.007","672.43","0.16","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C24 H40 N6 O4 -","- C24 H40 N6 O4 -","- C24 H40 N6 O4 -","1","0.5","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1355","0.0632","","","0.1587","0.1975","","","","","","1.01","","","","has coordinates,has disorder","256941","2020-10-21","18:00:00",""
"1501549","7.5805","0.0006","11.1838","0.0009","25.627","0.002","94.378","0.004","92.854","0.004","101.374","0.003","2119.1","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H44 N6 O4 -","- C26 H44 N6 O4 -","- C78 H132 N18 O12 -","3","1.5","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1419","0.0658","","","0.1651","0.2141","","","","","","1.008","","","","has coordinates,has disorder","256941","2020-10-21","18:00:00",""
"1501550","8.8653","0.0004","9.4282","0.0004","10.7014","0.0005","104.685","0.002","90.861","0.002","98.832","0.003","853.62","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C16 H24 N6 O2 -","- C16 H24 N6 O2 -","- C32 H48 N12 O4 -","2","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.0744","0.0701","","","0.1849","0.1955","","","","","","1.069","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501551","58.554","0.007","7.9545","0.001","14.0407","0.0015","90","","102.299","0.005","90","","6389.6","1.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N6 O4 -","- C32 H48 N6 O4 -","- C256 H384 N48 O32 -","8","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1553","0.0981","","","0.2534","0.2954","","","","","","1.037","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501602","8.2094","0.0019","21.264","0.005","5.9988","0.0013","90","","90","","90","","1047.2","0.4","218","2","218","2","","","","","","","","4","P n m a","-P 2ac 2n","62","EB7721","","","- C14 H10 F N -","- C14 H10 F N -","- C56 H40 F4 N4 -","4","0.5","","Elliott, Emma-Claire; Bowkett, Elizabeth R.; Maggs, James L.; Bacsa, John; Park, B. Kevin; Regan, Sophie L.; O'Neill, Paul M; Stachulski, Andrew V.","Convenient syntheses of benzo-fluorinated dibenz[b,f]azepines: rearrangements of isatins, acridines, and indoles.","Organic letters","2011","13","20","5592","5595","10.1021/ol202318w","","","0.71073","MoKα","","0.0531","0.0359","","","0.0923","0.0989","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501627","9.9532","0.0003","9.9532","0.0003","26.7005","0.0011","90","","90","","90","","2645.12","0.16","293","2","293","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C30 H40 In N3 O14 -","- C22 H10 In O8 -","- C44 H20 In2 O16 -","2","0.125","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.71073","MoKα","","0.0805","0.0621","","","0.167","0.174","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501628","9.9617","0.0004","9.9617","0.0004","26.747","0.002","90","","90","","90","","2654.3","0.2","293","2","293","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C32 H38 In N3 O12 -","- C24 H12 In O8 -","- C48 H24 In2 O16 -","2","0.125","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.71073","MoKα","","0.178","0.0818","","","0.173","0.189","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501629","19.807","0.005","19.807","0.005","53.454","0.009","90","","90","","90","","20971","8","120","2","120","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H36 F4 In N3 O14 -","- C22 H6 F4 In O8 -","- C352 H96 F64 In16 O128 -","16","0.5","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.6943","synchrotron","","0.0685","0.0548","","","0.168","0.177","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501630","9.9617","0.0004","9.9617","0.0004","26.747","0.002","90","","90","","90","","2654.3","0.2","293","2","293","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C34 H36 In N3 O12 -","- C26 H10 In O8 -","- C52 H20 In2 O16 -","2","0.125","","Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange","Faraday Discussions","2011","151","","19","","10.1039/c1fd00006c","","","0.71073","MoKα","","0.0908","0.0458","","","0.098","0.105","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501634","17.9167","0.0007","6.2563","0.0002","21.1871","0.0008","90","","107.512","0.002","90","","2264.84","0.14","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C104 H104 N8 O8 S4 -","4","1","","M. Amine Fourati; Thierry Maris; William G. Skene; C. Géraldine Bazuin; Robert E. Prud'homme","Photophysical, Electrochemical and Crystallographic Investigations of the Fluorophore 2,5-Bis(5-tert-butyl-benzoxazol-2-yl)thiophene","The Journal of Physical Chemistry B","2011","115","","12362","12369","10.1021/jp207136k","","","1.54178","CuKα","","0.068","0.0509","","","0.1277","0.139","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501635","10.0693","0.0007","13.9976","0.0007","16.2481","0.0008","90","","90","","90","","2290.1","0.2","295","","295","","","","","","","","Synthesized by the authors. See text","3","A b a 2","A 2 -2ab","41","","","","- C25 H12 Br4 -","- C25 H12 Br4 -","- C100 H48 Br16 -","4","","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0433","0.0424","","","0.1009","0.1011","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501636","13.5519","0.0002","13.5519","0.0002","10.7761","0.0004","90","","90","","90","","1979.07","0.08","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 42/n :2","-P 4bc","86","","","","- C29 H16 Br16 -","- C29 H16 Br16 -","- C58 H32 Br32 -","2","0.25","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0262","0.0262","","","0.0672","0.0672","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501637","19.2957","0.001","13.8813","0.0008","20.0269","0.001","90","","94.857","0.002","90","","5344.9","0.5","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Br6 -","- C27 H18 Br6 -","- C216 H144 Br48 -","8","2","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0477","0.0427","","","0.1076","0.1119","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501638","10.384","0.0004","17.969","0.0007","11.188","0.0003","90","","90.38","0.002","90","","2087.52","0.13","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br2 -","- C26 H18 Br2 -","- C104 H72 Br8 -","4","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","0.71073","MoKα","","0.0788","0.0432","","","0.0942","0.1138","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501639","10.4523","0.0002","17.8465","0.0003","11.039","0.0002","90","","90.004","0.001","90","","2059.18","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Br -","- C27 H21 Br -","- C108 H84 Br4 -","4","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0339","0.0332","","","0.0897","0.0905","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501640","17.865","0.003","19.788","0.003","16.886","0.005","90","","112.641","0.018","90","","5509","2","295","2","295","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br4 Cl2 N4 -","- C26 H18 Br4 Cl2 N4 -","- C208 H144 Br32 Cl16 N32 -","8","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0717","0.0653","","","0.1925","0.2004","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501641","8.3329","0.0001","6.9106","0.0001","17.068","0.0003","90","","94.18","0.001","90","","980.25","0.03","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 Ag N O3 S2 -","- C5 H12 Ag N O3 S2 -","- C20 H48 Ag4 N4 O12 S8 -","4","1","","Mohamed Osman Awaleh; Idriss Guirreh Farah; Elias Said Dirieh; Thierry Maris; Samatar Mohamed Bouh","Synthesis, crystal structures and thermal analysis of two new coordination polymers.","Comptes Rendus Chimie","2011","14","","991","996","10.1016/j.crci.2011.06.002","","","1.54178","CuKα","","0.0468","0.0401","","","0.0997","0.1314","","","","","","1.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501642","8.003","0.0002","20.5242","0.0004","15.8557","0.0003","90","","93.532","0.001","90","","2599.43","0.1","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Ag2 F10 O4 S4 -","- C16 H24 Ag2 F10 O4 S4 -","- C64 H96 Ag8 F40 O16 S16 -","4","1","","Mohamed Osman Awaleh; Idriss Guirreh Farah; Elias Said Dirieh; Thierry Maris; Samatar Mohamed Bouh","Synthesis, crystal structures and thermal analysis of two new coordination polymers.","Comptes Rendus Chimie","2011","14","","991","996","10.1016/j.crci.2011.06.002","","","1.54178","CuKα","","0.027","0.0247","","","0.0627","0.0638","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501644","10.3277","0.0019","13.405","0.002","13.648","0.002","92.13","0.011","106.824","0.012","95.885","0.012","1794.6","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C17 H26 N6 O2 -","- C17 H26 N6 O2 -","- C68 H104 N24 O8 -","4","2","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1584","0.087","","","0.2091","0.2563","","","","","","1.004","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501649","10.516","0.002","13.136","0.003","42.764","0.009","90","","94.45","0.01","90","","5890","2","303","1","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Eu K N12 O12 Ru2 -","- C44 H50 Eu K N12 O12 Ru2 -","- C176 H200 Eu4 K4 N48 O48 Ru8 -","4","1","","Chow, Cheuk-Fai; Kong, Hoi-Kuan; Leung, Shu-Wai; Chiu, Brenda K. W.; Koo, Chi-Kin; Lei, Elva N. Y.; Lam, Michael H. W.; Wong, Wing-Tak; Wong, Wai-Yeung","Heterobimetallic Ru(II)-Eu(III) complex as chemodosimeter for selective biogenic amine odorants detection in fish sample.","Analytical chemistry","2011","83","1","289","296","10.1021/ac102393f","","","0.7107","MoKα","","","0.068","","","","0.096","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501650","10.8636","0.0002","14.0746","0.0002","12.4274","0.0003","90","","109.674","0.002","90","","1789.23","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitrobenzonitrile and pyrene","","- C23 H13 N3 O4 -","- C23 H13 N3 O4 -","- C92 H52 N12 O16 -","4","1","","Vaiyapuri, Rajendran; Greenland, Barnaby W.; Elliott, Joanne M.; Hayes, Wayne; Bennett, Roger A.; Cardin, Christine J.; Colquhoun, Howard M.; Etman, Haitham; Murray, Claire A.","Pyrene-modified quartz crystal microbalance for the detection of polynitroaromatic compounds.","Analytical chemistry","2011","83","16","6208","6214","10.1021/ac200755c","","","1.5418","CuKα","","0.0392","0.0361","","0.1217","0.1157","0.1217","","","","","","1.0322","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501651","13.874","0.003","20.663","0.002","7.3166","0.0015","90","","101.44","0.02","90","","2055.8","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B10 Fe O S2 -","- C15 H20 B10 Fe O S2 -","- C60 H80 B40 Fe4 O4 S8 -","4","1","","Wu, Chunhui; Ye, Hongde; Bai, Wenjuan; Li, Qingning; Guo, Dadong; Lv, Gang; Yan, Hong; Wang, Xuemei","New potential anticancer agent of carborane derivatives: selective cellular interaction and activity of ferrocene-substituted dithio-o-carborane conjugates.","Bioconjugate chemistry","2011","22","1","16","25","10.1021/bc100158b","","","0.71073","MoKα","","0.0848","0.0539","","","0.1139","0.1255","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501652","20.463","0.004","8.495","0.0017","12.692","0.003","90","","107.52","0.03","90","","2103.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Al F N3 O7 -","- C19 H27 Al F N3 O7 -","- C76 H108 Al4 F4 N12 O28 -","4","1","","D'Souza, Christopher A; McBride, William J.; Sharkey, Robert M.; Todaro, Louis J.; Goldenberg, David M.","High-yielding aqueous 18F-labeling of peptides via Al18F chelation.","Bioconjugate chemistry","2011","22","9","1793","1803","10.1021/bc200175c","","","0.71073","MoKα","","0.1023","0.0601","","","0.1181","0.1374","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501653","13.0342","0.001","12.2529","0.0012","13.7875","0.0011","90","","97.983","0.009","90","","2180.6","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-diaminoanthraquinone","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Jacquemin, Denis; Brémond, Eric; Planchat, Aurélien; Ciofini, Ilaria; Adamo, Carlo","TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes","Journal of Chemical Theory and Computation","2011","7","6","1882","","10.1021/ct200259k","","","0.71069","MoKα","","0.1372","0.0741","","","0.135","0.1665","","","","2.02","2.02","1.93","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501654","9.4619","0.0012","7.4691","0.001","11.374","0.0015","90","","97.412","0.001","90","","797.11","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Plutonium doped potassium borate","","","- B5 H4 K0.99 O10 -","- B5 H4 K0.98 O10 -","- B20 H16 K3.92 O40 -","4","1","","Wang, Shuao; Diwu, Juan; Simonetti, Antonio; Booth, Corwin H.; Albrecht-Schmitt, Thomas E","Interstitial incorporation of plutonium into a low-dimensional potassium borate.","Environmental science & technology","2011","45","21","9457","9463","10.1021/es2028247","","","0.71073","MoKα","","0.0495","0.0423","","","0.1083","0.1127","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501655","8.8542","0.0008","8.1328","0.0007","10.5772","0.0009","90","","106.403","0.001","90","","730.66","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 N3 O2 -","- C5 H13 N3 O2 -","- C20 H52 N12 O8 -","4","1","","Harper, Naomi D.; Nizio, Katie D.; Hendsbee, Arthur D.; Masuda, Jason D.; Robertson, Katherine N.; Murphy, Luke J.; Johnson, Michel B.; Pye, Cory C.; Clyburne, Jason A. C.","Survey of Carbon Dioxide Capture in Phosphonium-Based Ionic Liquids and End-Capped Polyethylene Glycol Using DETA (DETA = Diethylenetriamine) as a Model Absorbent§","Industrial & Engineering Chemistry Research","2011","50","5","2822","","10.1021/ie101734h","","","0.71073","MoKα","","0.0673","0.0471","","","0.0992","0.1089","","","","","","1.128","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501656","10.323","0.0018","11.261","0.002","16.139","0.003","89.022","0.003","71.794","0.002","66.99","0.002","1628.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Co N15 O -","- C36 H26 Co N15 O -","- C72 H52 Co2 N30 O2 -","2","1","","Li, Bing; Wei, Qing; Yang, Qi; Chen, Sanping; Gao, Shengli","Synthesis, Structure, and Thermophysical Properties of an Energetic Complex Co(3-(2-pyridyl)-5-(3′-pyridyl)-1H-1,2,4-triazole)3·H2O","Journal of Chemical & Engineering Data","2011","56","7","3043","","10.1021/je2000364","","","0.71073","MoKα","","0.1315","0.0633","","","0.1541","0.1971","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501657","11.724","0.002","9.2465","0.0018","15.567","0.003","90","","95.26","0.03","90","","1680.4","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 O2 S -","- C16 H20 N4 O2 S -","- C64 H80 N16 O8 S4 -","4","1","","Wang, Huan; Yang, Zhikun; Fan, Zhijin; Wu, Qingjun; Zhang, Youjun; Mi, Na; Wang, Shouxin; Zhang, Zhengcai; Song, Haibin; Liu, Feng","Synthesis and insecticidal activity of N-tert-butyl-N,N'-diacylhydrazines containing 1,2,3-thiadiazoles.","Journal of agricultural and food chemistry","2011","59","2","628","634","10.1021/jf104004q","","","0.71073","MoKα","","0.0678","0.0547","","","0.1246","0.1317","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501658","16.4438","0.0017","10.2569","0.0011","11.1264","0.0012","90","","104.256","0.002","90","","1818.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl3 N6 O2 -","- C16 H13 Cl3 N6 O2 -","- C64 H52 Cl12 N24 O8 -","4","1","","Ye, Zhenjun; Xia, Shuang; Shao, Xusheng; Cheng, Jiagao; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong; Qian, Xuhong","Design, synthesis, crystal structure analysis, and insecticidal evaluation of phenylazoneonicotinoids.","Journal of agricultural and food chemistry","2011","59","19","10615","10623","10.1021/jf2029708","","","0.71073","MoKα","","0.0659","0.051","","","0.1347","0.1448","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501659","15.867","0.002","7.9286","0.0011","15.923","0.002","90","","113.221","0.002","90","","1840.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N6 O2 -","- C18 H19 Cl N6 O2 -","- C72 H76 Cl4 N24 O8 -","4","1","","Ye, Zhenjun; Xia, Shuang; Shao, Xusheng; Cheng, Jiagao; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong; Qian, Xuhong","Design, synthesis, crystal structure analysis, and insecticidal evaluation of phenylazoneonicotinoids.","Journal of agricultural and food chemistry","2011","59","19","10615","10623","10.1021/jf2029708","","","0.71073","MoKα","","0.0698","0.0526","","","0.1343","0.1446","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501660","11.2339","0.0002","11.6808","0.0003","16.4783","0.0005","90","","90","","90","","2162.3","0.09","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Trapella, Claudio; Pela, Michela; Del Zoppo, Luisa; Calo, Girolamo; Camarda, Valeria; Ruzza, Chiara; Cavazzini, Alberto; Costa, Valentina; Bertolasi, Valerio; Reinscheid, Rainer K.; Salvadori, Severo; Guerrini, Remo","Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).","Journal of medicinal chemistry","2011","54","8","2738","2744","10.1021/jm200138r","","","0.71073","MoKα","","0.0527","0.0365","","","0.0813","0.0904","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501661","8.6598","0.0004","21.3183","0.001","23.6397","0.001","90","","90","","90","","4364.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Br4 N2 O7 -","- C46 H36 Br4 N2 O7 -","- C184 H144 Br16 N8 O28 -","4","1","","Magedov, Igor V.; Frolova, Liliya; Manpadi, Madhuri; Bhoga, Uma devi; Tang, Hong; Evdokimov, Nikolai M.; George, Olivia; Georgiou, Kathy Hadje; Renner, Steffen; Getlik, Matthäus; Kinnibrugh, Tiffany L.; Fernandes, Manuel A.; Van slambrouck, Severine; Steelant, Wim F. A.; Shuster, Charles B.; Rogelj, Snezna; van Otterlo, Willem A. L.; Kornienko, Alexander","Anticancer properties of an important drug lead podophyllotoxin can be efficiently mimicked by diverse heterocyclic scaffolds accessible via one-step synthesis.","Journal of medicinal chemistry","2011","54","12","4234","4246","10.1021/jm200410r","","","0.71073","MoKα","","0.0767","0.0467","","","0.1127","0.1245","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501662","13.6739","0.0008","17.3161","0.0011","14.9225","0.0009","90","","98.051","0.001","90","","3498.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","15","","","- C18 H18 N4 O4 S -","- C18 H18 N4 O4 S -","- C144 H144 N32 O32 S8 -","8","2","","Hall, Matthew D.; Brimacombe, Kyle R.; Varonka, Matthew S.; Pluchino, Kristen M.; Monda, Julie K.; Li, Jiayang; Walsh, Martin J.; Boxer, Matthew B.; Warren, Timothy H.; Fales, Henry M.; Gottesman, Michael M.","Synthesis and structure-activity evaluation of isatin-β-thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein.","Journal of medicinal chemistry","2011","54","16","5878","5889","10.1021/jm2006047","","","0.71073","MoKα","","0.0802","0.0449","","","0.0955","0.1052","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501663","16.7856","0.0009","5.4114","0.0003","16.1237","0.0008","90","","100.73","0.001","90","","1438.97","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","","","- C16 H14 N4 O S -","- C16 H14 N4 O S -","- C64 H56 N16 O4 S4 -","4","1","","Hall, Matthew D.; Brimacombe, Kyle R.; Varonka, Matthew S.; Pluchino, Kristen M.; Monda, Julie K.; Li, Jiayang; Walsh, Martin J.; Boxer, Matthew B.; Warren, Timothy H.; Fales, Henry M.; Gottesman, Michael M.","Synthesis and structure-activity evaluation of isatin-β-thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein.","Journal of medicinal chemistry","2011","54","16","5878","5889","10.1021/jm2006047","","","0.71073","MoKα","","0.0403","0.0332","","","0.0818","0.0854","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501664","6.5913","0.0008","15.0012","0.0018","20.319","0.003","90","","90","","90","","2009.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N O4 Si -","- C17 H24 Br N O4 Si -","- C68 H96 Br4 N4 O16 Si4 -","4","1","","Xin, Qisheng; Fan, Houxing; Guo, Bin; He, Huili; Gao, Suo; Wang, Hui; Huang, Yanqin; Yang, Yushe","Design, synthesis, and structure-activity relationship studies of highly potent novel benzoxazinyl-oxazolidinone antibacterial agents.","Journal of medicinal chemistry","2011","54","21","7493","7502","10.1021/jm200614t","","","0.71073","MoKα","","0.0636","0.0413","","","0.0824","0.0867","","","","","","0.825","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501665","8.1141","0.0006","10.4273","0.0008","22.6565","0.0017","90","","108.576","0.001","90","","1817.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 F N4 O -","- C18 H17 Cl2 F N4 O -","- C72 H68 Cl8 F4 N16 O4 -","4","1","","Yu, Wenquan; Goddard, Cally; Clearfield, Elizabeth; Mills, Courtney; Xiao, Tong; Guo, Haitao; Morrey, John D.; Motter, Neil E.; Zhao, Kang; Block, Timothy M.; Cuconati, Andrea; Xu, Xiaodong","Design, synthesis, and biological evaluation of triazolo-pyrimidine derivatives as novel inhibitors of hepatitis B virus surface antigen (HBsAg) secretion.","Journal of medicinal chemistry","2011","54","16","5660","5670","10.1021/jm200696v","","","0.71073","MoKα","","0.0576","0.0492","","","0.1046","0.1084","","","","","","1.156","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501666","8.1766","0.0004","10.4313","0.0004","23.7612","0.001","90","","90","","90","","2026.65","0.15","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 F3 N O3 -","- C21 H30 F3 N O3 -","- C84 H120 F12 N4 O12 -","4","1","","Woods, James R.; Mo, Huaping; Bieberich, Andrew A.; Alavanja, Tanja; Colby, David A.","Fluorinated amino-derivatives of the sesquiterpene lactone, parthenolide, as (19)f NMR probes in deuterium-free environments.","Journal of medicinal chemistry","2011","54","22","7934","7941","10.1021/jm201114t","","","1.54184","CU-Kα","","0.041","0.039","","","0.096","0.098","","","","","","1.065","","","","has coordinates","288505","2023-12-22","15:11:59",""
"1501667","9.0566","0.0011","12.7489","0.0016","12.9111","0.0016","110.172","0.003","103.14","0.003","105.713","0.003","1259.3","0.3","223.1","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N4 O6 -","- C24 H21 Cl N4 O6 -","- C48 H42 Cl2 N8 O12 -","2","1","","Bollini, Mariela; Domaoal, Robert A.; Thakur, Vinay V.; Gallardo-Macias, Ricardo; Spasov, Krasimir A.; Anderson, Karen S.; Jorgensen, William L.","Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents.","Journal of medicinal chemistry","2011","54","24","8582","8591","10.1021/jm201134m","","","0.71075","MoKα","","","0.0794","","","","0.2198","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501668","12.1445","0.0005","13.1978","0.0006","14.8062","0.0007","110.115","0.001","106.619","0.001","90.128","0.001","2121.92","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Cl Eu N2 O11 -","- C42 H48 Cl Eu N2 O11 -","- C84 H96 Cl2 Eu2 N4 O22 -","2","1","","Huang, Xiaoguang; Wang, Qin; Yan, Xuhuan; Xu, Jun; Liu, Weisheng; Wang, Qing; Tang, Yu","Encapsulating a Ternary Europium Complex in a Silica/Polymer Hybrid Matrix for High Performance Luminescence Application","The Journal of Physical Chemistry C","2011","115","5","2332","","10.1021/jp109644j","","","0.71073","MoKα","","0.0313","0.0263","","","0.0649","0.0689","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501669","25.106","0.007","16.854","0.004","37.347","0.009","90","","92.653","0.003","90","","15786","7","183","","183","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H69 Cl5 N4 O4 Sn -","- C97 H69 Cl5 N4 O4 Sn -","- C776 H552 Cl40 N32 O32 Sn8 -","8","2","","Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi","Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer.","The journal of physical chemistry. A","2011","115","6","986","997","10.1021/jp109863d","","","0.71075","MoKα","","","0.0872","","","","0.1819","","","","","","1.096","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1501670","11.4345","0.0005","12.6971","0.0007","14.1793","0.0008","103.943","0.0019","101.911","0.0019","93.6347","0.0018","1941.03","0.18","181.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H80 N4 O8 Sn -","- C100 H74 N4 O8 Sn -","- C100 H74 N4 O8 Sn -","1","0.5","","Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi","Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer.","The journal of physical chemistry. A","2011","115","6","986","997","10.1021/jp109863d","","","0.7107","MoKα","","","0.0389","","","","0.0971","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501671","5.1965","0.0003","10.0137","0.0006","23.4643","0.0016","94.749","0.005","92.033","0.004","101.423","0.006","1191.02","0.13","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N6 O8 S6 -","- C14 H22 N6 O8 S6 -","- C28 H44 N12 O16 S12 -","2","1","","Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure.","The journal of physical chemistry. B","2011","115","12","3020","3026","10.1021/jp110010z","","","0.71075","MoKα","","0.0594","0.044","","","0.0949","0.1031","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501672","8.261","0.003","43.783","0.015","9.625","0.003","90","","101.617","0.005","90","","3410","2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N4 O15 S6 -","- C22 H26 N4 O15 S6 -","- C88 H104 N16 O60 S24 -","4","1","","Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure.","The journal of physical chemistry. B","2011","115","12","3020","3026","10.1021/jp110010z","","","0.71075","MoKα","","0.113","0.0771","","","0.1999","0.2399","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501673","11.432","0.009","24.09","0.03","10.121","0.009","90","","90","","90","","2787","5","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H30 N4 O8 S8 -","- C16 H30 N4 O8 S8 -","- C64 H120 N16 O32 S32 -","4","1","","Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure.","The journal of physical chemistry. B","2011","115","12","3020","3026","10.1021/jp110010z","","","0.71075","MoKα","","0.0747","0.0663","","","0.1586","0.1662","","","","","","1.019","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1501674","7.357","0.004","8.151","0.005","8.444","0.005","59.374","0.017","61.691","0.014","65.709","0.016","373.9","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","1,3-dimethylimidazolium mu-fluoro-bis(fluorohydrogenate)","","- C5 H11 F3 N2 -","- C5 H11 F3 N2 -","- C10 H22 F6 N4 -","2","1","","Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika","Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids","The Journal of Physical Chemistry C","2011","115","10","4324","","10.1021/jp1101219","","","0.71073","MoKα","","0.1178","0.0495","","","0.0958","0.1523","","","","","","1.261","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501675","5.598","0.0002","10.6076","0.0004","14.5523","0.0007","90","","92.713","0.001","90","","863.17","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethylimidazolium mu3-fluoro-tris(fluorohydrogenate)","","- C5 H12 F4 N2 -","- C5 H12 F4 N2 -","- C20 H48 F16 N8 -","4","1","","Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika","Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids","The Journal of Physical Chemistry C","2011","115","10","4324","","10.1021/jp1101219","","","0.71073","MoKα","","0.0386","0.0338","","","0.0888","0.0929","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501676","16.4633","0.0002","18.7981","0.0002","21.8791","0.0003","94.8166","0.0009","93.3602","0.0008","115.825","0.001","6039.05","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","5,11,17,23 tetra-tert-butyl [25-27 bis (diethyl thiophosphate amino) dihydroxy calix[4]arene methanol","","- C56.75 H87 N2 O8.75 P2 S2 -","- C56.75 H86 N2 O8.75 P2 S2 -","- C227 H344 N8 O35 P8 S8 -","4","2","","de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E.","Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material.","The journal of physical chemistry. B","2011","115","21","6922","6934","10.1021/jp110195f","","","0.71073","MoKα","","0.0674","0.0531","","","0.1304","0.1398","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501677","12.773","0.001","19.556","0.001","23.982","0.001","90","","101.691","0.001","90","","5866.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","5,11,17,23 tetra-tert-butyl [25-27 bis (diethyl thiophosphate amino) dihydroxy calix[4]arene dichloromethane","","- C57 H86 Cl2 N2 O8 P2 S2 -","- C57 H86 Cl2 N2 O8 P2 S2 -","- C228 H344 Cl8 N8 O32 P8 S8 -","4","1","","de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E.","Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material.","The journal of physical chemistry. B","2011","115","21","6922","6934","10.1021/jp110195f","","","0.71073","MoKα","","0.0684","0.0489","","","0.1285","0.1416","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501678","11.91","0.001","16.698","0.001","18.973","0.001","98.27","0.01","104.48","0.01","109.57","0.01","3333.5","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","5,11,17,23 tetra-tert-butyl [25-27 bis (diethyl thiophosphate amino) dihydroxy calix[4]arene silver(I) and sodium(I) acetonitrile perchlorate","","- C58 H87 Ag Cl2 N3 Na O16 P2 S2 -","- C58 H87 Ag Cl2 N3 Na O16 P2 S2 -","- C116 H174 Ag2 Cl4 N6 Na2 O32 P4 S4 -","2","1","","de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E.","Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material.","The journal of physical chemistry. B","2011","115","21","6922","6934","10.1021/jp110195f","","","0.71073","MoKα","","0.1464","0.1057","","","0.3162","0.3543","","","","","","1.331","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501679","12.6039","0.0002","17.4686","0.0003","21.7674","0.0004","71.24","0.001","80.801","0.001","71.7","0.001","4299.21","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4,6,8,10,12,16,18,22,24 diethyl thiophosphate calix[4]resorcarene","","- C64 H104 O24 P8 S8 -","- C64 H104 O24 P8 S8 -","- C128 H208 O48 P16 S16 -","2","1","","de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E.","Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material.","The journal of physical chemistry. B","2011","115","21","6922","6934","10.1021/jp110195f","","","0.71073","MoKα","","0.1124","0.0884","","","0.2339","0.2593","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501680","17.756","0.001","21.9782","0.0012","11.5593","0.0007","90","","100.667","0.004","90","","4433","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 N4 O4 S4 -","- C50 H46 N4 O4 S4 -","- C200 H184 N16 O16 S16 -","4","1","","Zhang, Fen; Roznyatovskiy, Vladimir; Fan, Fu-Ren F.; Lynch, Vincent; Sessler, Jonathan L.; Bard, Allen J.","A Method for Rapid Screening of Photosensitizers by Scanning Electrochemical Microscopy (SECM) and the Synthesis and Testing of a Porphyrin Sensitizer","The Journal of Physical Chemistry C","2011","115","5","2592","","10.1021/jp110482v","","","0.71069","MoKα","","0.142","0.1037","","","0.2969","0.3177","","","","","","2.192","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501681","11.849","0.003","17.35","0.005","21.055","0.004","90","","121.146","0.011","90","","3704.5","1.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C196 H128 Cl8 -","- C196 H128 Cl8 -","- C196 H128 Cl8 -","1","0.25","","Huang, Hong; Fu, Qiang; Zhuang, Shaoqing; Liu, Yakun; Wang, Lei; Chen, Jiangshan; Ma, Dongge; Yang, Chuluo","Novel Deep Blue OLED Emitters with 1,3,5-Tri(anthracen-10-yl)benzene-Centered Starburst Oligofluorenes","The Journal of Physical Chemistry C","2011","115","11","4872","","10.1021/jp110652y","","","0.71073","MoKα","","0.1263","0.1121","","","0.2491","0.2583","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501682","11.905","0.003","17.238","0.005","7.529","0.001","90","","90","","90","","1545.1","0.6","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 V -","- C17 H16 N2 O3 V -","- C68 H64 N8 O12 V4 -","4","1","","Matsuoka, Naoki; Tsuchimoto, Masanobu; Yoshioka, Naoki","Theoretical study of magnetic properties of oxovanadium(IV) complex self-assemblies with tetradentate Schiff base ligands.","The journal of physical chemistry. B","2011","115","26","8465","8473","10.1021/jp111779k","","","0.71073","MoKα","","","0.0302","","","","0.0787","","","","","","1.102","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501683","8.1037","0.0016","10.127","0.002","12.519","0.003","90","","90","","90","","1027.4","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","","Zhu, Xiao-Qing; Zhou, Jian; Wang, Chun-Hua; Li, Xiu-Tao; Jing, Sha","Actual structure, thermodynamic driving force, and mechanism of benzofuranone-typical compounds as antioxidants in solution.","The journal of physical chemistry. B","2011","115","13","3588","3603","10.1021/jp200095g","","","0.71073","MoKα","","0.0329","0.0297","","","0.0658","0.0674","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501684","14.22","0.003","16.974","0.003","15.099","0.003","90","","92.46","0.03","90","","3641.1","1.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B10 H30 Mg O10 -","- B10 H30 Mg O10 -","- B80 H240 Mg8 O80 -","8","1","","Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Highley, Aaron; Maharrey, Sean; Behrens, Richard; Shore, Sheldon G.; Zhao, Ji-Cheng","Synthesis, Structural Characterization, and Thermal Decomposition Study of Mg(H2O)6B10H10·4H2O","The Journal of Physical Chemistry C","2011","115","23","11793","","10.1021/jp200541k","","","0.71073","MoKα","","0.0451","0.0287","","","0.0715","0.0775","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501685","8.2039","0.00014","5.99673","0.00008","4.5435","0.00007","90","","93.8032","0.0014","90","","223.032","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06161","","1.37","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501686","8.20987","0.00014","5.99729","0.00008","4.54601","0.00007","90","","93.8491","0.0014","90","","223.327","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06612","","1.42","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501687","8.21673","0.00014","5.99825","0.00008","4.54871","0.00007","90","","93.8929","0.0014","90","","223.67","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06151","","1.42","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501688","8.22307","0.00014","5.99899","0.00008","4.55113","0.00007","90","","93.9367","0.0014","90","","223.978","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06281","","1.42","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501689","8.22913","0.00014","5.99941","0.00008","4.55352","0.00007","90","","93.9808","0.0014","90","","224.265","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06301","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501690","8.23546","0.00014","5.99997","0.00008","4.55596","0.00007","90","","94.0251","0.0013","90","","224.566","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.07022","","1.41","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501691","8.24185","0.00014","6.00052","0.00008","4.55819","0.00007","90","","94.071","0.0014","90","","224.858","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06371","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501692","8.24909","0.00014","6.00107","0.00008","4.56111","0.00007","90","","94.1234","0.0014","90","","225.206","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06914","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501693","8.25578","0.00014","6.00157","0.00008","4.56351","0.00007","90","","94.1741","0.0014","90","","225.511","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.07069","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501694","8.26299","0.00014","6.00194","0.00008","4.56608","0.00007","90","","94.2299","0.0014","90","","225.833","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.0641","","1.43","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501695","8.26972","0.00014","6.00243","0.00008","4.56867","0.00007","90","","94.2836","0.0014","90","","226.148","0.006","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 Cl N -","- C2 H8 Cl N -","- C4 H16 Cl2 N2 -","2","0.5","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06919","","1.42","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501696","5.05111","0.00007","5.05111","","9.99493","0.00024","90","","90","","90","","255.008","0.007","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C2 Cl N -","- C2 Cl N -","- C4 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero","Thermal and structural properties of ethylammonium chloride and its mixture with water.","The journal of physical chemistry. B","2011","115","17","4887","4899","10.1021/jp2010138","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.12398","","1.25","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501697","10.7935","0.0009","11.3034","0.0009","16.2004","0.0013","107.802","0.001","93.422","0.002","95.478","0.002","1865","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N Si -","- C21 H25 N Si -","- C84 H100 N4 Si4 -","4","2","","Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro","Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State","The Journal of Physical Chemistry C","2011","115","22","11265","","10.1021/jp201168x","","","0.71073","MoKα","","0.094","0.0685","","","0.1855","0.1995","","","","","","1.086","","","","has coordinates","275201","2022-05-07","03:27:37",""
"1501698","8.0586","0.0013","14.782","0.002","20.24","0.003","90","","90","","90","","2411","0.6","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N Si -","- C27 H26 F3 N Si -","- C108 H104 F12 N4 Si4 -","4","1","","Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro","Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State","The Journal of Physical Chemistry C","2011","115","22","11265","","10.1021/jp201168x","","","0.71073","MoKα","","0.087","0.0746","","","0.2021","0.214","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501699","13.5746","0.0006","15.9506","0.0007","15.0855","0.0007","90","","97.841","0.001","90","","3235.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N O4 Sb -","- C36 H42 N O4 Sb -","- C144 H168 N4 O16 Sb4 -","4","1","","Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen.","The journal of physical chemistry. A","2011","115","29","8271","8281","10.1021/jp201833w","","","0.71073","MoKα","","0.0342","0.0266","","","0.0659","0.0684","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501700","10.0526","0.0002","11.8361","0.0003","14.5638","0.0003","88.56","","82.17","","68.61","","1597.88","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H45 N2 O3 Sb -","- C37 H45 N2 O3 Sb -","- C74 H90 N4 O6 Sb2 -","2","1","","Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen.","The journal of physical chemistry. A","2011","115","29","8271","8281","10.1021/jp201833w","","","0.71073","MoKα","","0.0256","0.0227","","","0.0582","0.0608","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501701","9.3149","0.001","26.6012","0.0017","11.3777","0.0016","90","","111.083","0.005","90","","2630.5","0.5","198","1","198","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 N8 O6 Si7 -","- C46 H58 N8 O6 Si7 -","- C92 H116 N16 O12 Si14 -","2","0.5","","Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.","Long, directional interactions in cofacial silicon phthalocyanine oligomers.","The journal of physical chemistry. A","2011","115","45","12474","12485","10.1021/jp2019445","","","0.71073","MoKα","","0.1508","0.0702","","","0.143","0.1708","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501702","13.1488","0.0006","22.8889","0.0011","27.0083","0.0012","90","","99.438","0.001","90","","8018.4","0.6","298","1","298","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H74 N16 O7 Si8 -","- C78 H74 N16 O7 Si8 -","- C312 H296 N64 O28 Si32 -","4","1","","Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.","Long, directional interactions in cofacial silicon phthalocyanine oligomers.","The journal of physical chemistry. A","2011","115","45","12474","12485","10.1021/jp2019445","","","0.71073","MoKα","","0.1314","0.0529","","","0.119","0.1466","","","","","","0.981","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501703","13.421","0.009","14.371","0.016","14.662","0.014","85.17","0.04","68.66","0.03","83.53","0.04","2614","4","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C110 H90 N24 O8 Si9 -","- C110 H90 N24 O8 Si9 -","- C110 H90 N24 O8 Si9 -","1","0.5","","Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.","Long, directional interactions in cofacial silicon phthalocyanine oligomers.","The journal of physical chemistry. A","2011","115","45","12474","12485","10.1021/jp2019445","","","0.71073","MoKα","","0.0824","0.057","","","0.1341","0.1511","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501704","13.6979","0.0009","26.0454","0.0018","36.932","0.003","90","","94.737","0.003","90","","13131.1","1.6","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C149 H114 N32 O9 Si10 -","- C149 H114 N32 O9 Si10 -","- C596 H456 N128 O36 Si40 -","4","1","","Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.","Long, directional interactions in cofacial silicon phthalocyanine oligomers.","The journal of physical chemistry. A","2011","115","45","12474","12485","10.1021/jp2019445","","","0.71073","MoKα","","0.1","0.0681","","","0.1558","0.1706","","","","","","1.031","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1501705","14.214","0.004","20.356","0.005","13.807","0.004","90","","106.48","0.003","90","","3830.8","1.8","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 N4 O4 -","- C50 H42 N4 O4 -","- C200 H168 N16 O16 -","4","1","","Mutoh, Katsuya; Abe, Jiro","Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers.","The journal of physical chemistry. A","2011","115","18","4650","4656","10.1021/jp201969q","","","0.71073","MoKα","","0.0495","0.0348","","","0.0808","0.0886","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501706","12.8243","0.0018","13.389","0.0019","15.859","0.002","79.107","0.002","75.49","0.002","63.12","0.001","2342.3","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 Cl6 N4 O4 -","- C52 H44 Cl6 N4 O4 -","- C104 H88 Cl12 N8 O8 -","2","1","","Mutoh, Katsuya; Abe, Jiro","Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers.","The journal of physical chemistry. A","2011","115","18","4650","4656","10.1021/jp201969q","","","0.71073","MoKα","","0.0639","0.0574","","","0.1324","0.137","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501707","5.7587","0.001","17.681","0.003","21.772","0.004","111.793","0.003","91.7","0.003","92.295","0.003","2054.4","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H52 N2 S2 -","- C54 H52 N2 S2 -","- C108 H104 N4 S4 -","2","1","","Zhang, Xiqi; Chi, Zhenguo; Zhang, Jianyong; Li, Haiyin; Xu, Bingjia; Li, Xiaofang; Liu, Siwei; Zhang, Yi; Xu, Jiarui","Piezofluorochromic properties and mechanism of an aggregation-induced emission enhancement compound containing N-hexyl-phenothiazine and anthracene moieties.","The journal of physical chemistry. B","2011","115","23","7606","7611","10.1021/jp202112e","","","0.71073","MoKα","","0.1077","0.0517","","","0.119","0.1463","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501708","11.0859","0.0001","13.0805","0.0001","15.8132","0.0002","90","","90","","90","","2293.06","0.04","183","2","183","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C80 H104 N24 O16 S8 -","8","1","","Farrugia, Louis J.; Khalaji, Aliakbar Dehno","Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone.","The journal of physical chemistry. A","2011","115","45","12512","12522","10.1021/jp2026169","","x-ray","0.71073","MoKα","","0.036","0.022","","","","0.024","","","","","","1.394","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501709","16.8233","0.0004","6.6778","0.0002","18.9912","0.0004","90","","101.312","0.002","90","","2092.07","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl2 N4 O11 -","- C16 H18 Cl2 N4 O11 -","- C64 H72 Cl8 N16 O44 -","4","1","","Hao, Erhong; Meng, Ting; Zhang, Min; Pang, Weidong; Zhou, Yunyou; Jiao, Lijuan","Solvent dependent fluorescent properties of a 1,2,3-triazole linked 8-hydroxyquinoline chemosensor: tunable detection from zinc(II) to iron(III) in the CH3CN/H2O system.","The journal of physical chemistry. A","2011","115","29","8234","8241","10.1021/jp202700s","","","1.54184","CuKα","","0.0479","0.046","","","0.1217","0.1236","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501710","11.2891","0.0002","12.2491","0.0002","12.4087","0.0002","90","","97.027","0.001","90","","1703","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 F6 N3 O4 S2 -","- C11 H11 F6 N3 O4 S2 -","- C44 H44 F24 N12 O16 S8 -","4","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0293","0.0282","","","0.0721","0.073","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501711","8.1408","0.0001","8.7005","0.0001","10.582","0.0002","80.863","0.001","76.27","0.001","81.141","0.001","713.551","0.018","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H7 F6 N3 O4 S2 -","- C9 H7 F6 N3 O4 S2 -","- C18 H14 F12 N6 O8 S4 -","2","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0285","0.0283","","","0.075","0.0752","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501712","8.255","0.003","13.88","0.003","14.205","0.004","90","","92.159","0.018","90","","1626.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F6 N3 O4 S2 -","- C11 H11 F6 N3 O4 S2 -","- C44 H44 F24 N12 O16 S8 -","4","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.031","0.0291","","","0.0741","0.0763","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501713","11.5159","0.0006","12.2778","0.0006","12.5068","0.0006","90","","96.726","0.002","90","","1756.17","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 F6 N3 O4 S2 -","- C12 H13 F6 N3 O4 S2 -","- C48 H52 F24 N12 O16 S8 -","4","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0311","0.03","","","0.0755","0.0764","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501714","12.687","0.004","8.186","0.003","15.537","0.006","90","","106.36","0.02","90","","1548.3","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F6 N3 O4 S2 -","- C10 H9 F6 N3 O4 S2 -","- C40 H36 F24 N12 O16 S8 -","4","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0422","0.0366","","","0.0838","0.0872","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501715","8.2118","0.0008","8.6844","0.0007","12.6209","0.0012","98.692","0.005","104.289","0.006","104.167","0.005","823.97","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 F6 N3 O4 S2 -","- C11 H11 F6 N3 O4 S2 -","- C22 H22 F12 N6 O8 S4 -","2","1","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0451","0.0382","","","0.0941","0.0993","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501716","8.134","0.0006","12.4922","0.0009","17.291","0.0012","72.707","0.004","80.807","0.005","80.637","0.004","1643.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 F6 N3 O4 S2 -","- C11 H11 F6 N3 O4 S2 -","- C44 H44 F24 N12 O16 S8 -","4","2","","Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen","Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids.","The journal of physical chemistry. B","2011","115","26","8424","8438","10.1021/jp2027675","","","1.54178","CuKα","","0.0675","0.0527","","","0.1228","0.1328","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501717","6.9676","0.0019","8.345","0.003","9.765","0.004","79.75","0.03","70.26","0.03","83.19","0.03","524.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","1","0.5","","Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun","Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor‒Acceptor (D‒A) Attached Salicylaldehyde Azine Derivatives","The Journal of Physical Chemistry C","2011","115","29","14353","","10.1021/jp2035357","","","0.71073","MoKα","","0.082","0.0486","","","0.0829","0.0931","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501718","12.055","0.003","6.5584","0.0015","13.381","0.006","90","","95.95","0.02","90","","1052.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","0.5","","Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun","Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor‒Acceptor (D‒A) Attached Salicylaldehyde Azine Derivatives","The Journal of Physical Chemistry C","2011","115","29","14353","","10.1021/jp2035357","","","0.71073","MoKα","","0.1784","0.0618","","","0.1133","0.1572","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501719","13.1238","0.0014","18.615","0.003","18.123","0.003","90","","100.884","0.003","90","","4347.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H23 B F24 N2 -","- C42 H23 B F24 N2 -","- C168 H92 B4 F96 N8 -","4","1","","Kong, S.; Borissova, A. O.; Lesnichin, S. B.; Hartl, M.; Daemen, L. L.; Eckert, J.; Antipin, M. Yu; Shenderovich, I. G.","Geometry and spectral properties of the protonated homodimer of pyridine in the liquid and solid states. A combined NMR, X-ray diffraction and inelastic neutron scattering study.","The journal of physical chemistry. A","2011","115","27","8041","8048","10.1021/jp203543g","","","0.71073","MoKα","","0.2228","0.1339","","","0.2342","0.2662","","","","","","1.345","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501720","11.7245","0.0019","11.2382","0.0018","32.084","0.005","90","","100.429","0.002","90","","4157.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-di(4-methoxyphenyl)-N-([1,2-a]-[2'-1'-j]dinaphthanthracen-9-yl)amine","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C224 H184 N8 O16 -","8","2","","Chudomel, J. Matthew; Yang, Boqian; Barnes, Michael D.; Achermann, Marc; Mague, Joel T.; Lahti, Paul M.","Highly twisted triarylamines for photoinduced intramolecular charge transfer.","The journal of physical chemistry. A","2011","115","30","8361","8368","10.1021/jp203563y","","","0.71073","MoKα","","0.0678","0.0462","","","0.095","0.1055","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501721","10.3212","0.0004","8.8807","0.0003","7.5565","0.0003","90","","93.299","0.002","90","","691.48","0.04","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H10 N2 S2 -","- C5 H10 N2 S2 -","- C20 H40 N8 S8 -","4","0.5","","Bushmarinov, I. S.; Fedyanin, I. V.; Lyssenko, K. A.; Lapteva, V. L.; Pisarev, S. A.; Palyulin, V. A.; Zefirov, N. S.; Antipin, M. Yu","The ""hockey sticks"" effect revisited: the conformational and electronic properties of 3,7-dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM perspective.","The journal of physical chemistry. A","2011","115","45","12738","12745","10.1021/jp203730b","","","0.71073","MoKα","","0.0405","0.0349","","","0.0718","0.0741","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501722","6.858","0.004","7.636","0.005","18.221","0.011","90","","92.605","0.008","90","","953.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ortho-methyl-N-chloroacetanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C36 H40 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0662","0.0473","","","0.1509","0.1642","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501723","7.705","0.012","7.146","0.011","17.57","0.03","90","","100.15","0.02","90","","952","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","meta-methyl-N-chloroacetanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C36 H40 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.1931","0.1477","","","0.3846","0.4593","","","","","","1.516","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501724","13.383","0.008","6.769","0.004","10.267","0.006","90","","90","","90","","930.1","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","para-methyl-N-chloroacetanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C36 H40 Cl4 N4 O4 -","4","0.5","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.054","0.0405","","","0.1365","0.1518","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501725","6.0806","0.0005","12.2086","0.0009","15.577","0.0012","90","","90","","90","","1156.37","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-chloro-benzanilide","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0961","0.0593","","","0.1844","0.2057","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501726","11.754","0.005","5.765","0.005","16.944","0.005","90","0.005","94.743","0.005","90","0.005","1144.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-chlorobenzanilide","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0724","0.0453","","","0.1088","0.1213","","","","","","1.089","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501727","5.3862","0.0001","7.8721","0.0001","13.6512","0.0002","106.554","0.001","98.414","0.001","90.624","0.001","548.013","0.015","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-chloro-benzanilide","N-(4-Chlorophenyl)benzamide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C26 H20 Cl2 N2 O2 -","2","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0393","0.0368","","","0.1064","0.1095","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501728","6.1089","0.0007","9.7134","0.0011","34.042","0.004","90","","91.716","0.002","90","","2019.1","0.4","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-chloro-2,4,6-tris(tert-butyl)acetanilide","N-chloro-N-(2,4,6-tris-(tert-butyl)phenylacetamide","","- C20 H32 Cl N O -","- C20 H32 Cl N O -","- C80 H128 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0922","0.0726","","","0.2025","0.2179","","","","","","1.027","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1501729","7.034","0.015","7.673","0.015","10.57","0.03","83.42","0.03","70.6","0.03","82.082","0.018","532","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","p,N-dichloro-3?-methylacetanilide","N-chloro-N-(4-chloro-3-methylphenyl)acetamide","","- C9 H9 Cl2 N O -","- C9 H9 Cl2 N O -","- C18 H18 Cl4 N2 O2 -","2","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.1601","0.0861","","","0.2519","0.3453","","","","","","1.128","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501730","9.5031","0.0004","14.1216","0.0007","10.4957","0.0005","90","","90.586","0.003","90","","1408.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H17 B5 N2 O10 -","- C5 H17 B5 N2 O10 -","- C20 H68 B20 N8 O40 -","4","1","","Hathwar, Venkatesha R.; Paul, Avijit Kumar; Natarajan, Srinivasan; Row, Tayur N Guru","Charge density analysis of a pentaborate ion in an ammonium borate: toward the understanding of topological features in borate minerals.","The journal of physical chemistry. A","2011","115","45","12818","12825","10.1021/jp203983v","","x-ray","0.71073","MoKα","","0.024","0.019","","","","0.043","0.022","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501731","9.3541","0.0014","7.8376","0.0012","21.571","0.003","90","","93.994","0.002","90","","1577.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0664","0.0469","","","0.0976","0.1059","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501732","9.4963","0.0005","8.0181","0.0004","21.3804","0.0009","90","","94.107","0.003","90","","1623.77","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0994","0.0518","","","0.101","0.1246","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501733","9.4963","0.0005","8.0181","0.0004","21.3804","0.0009","90","","94.107","0.003","90","","1623.77","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0961","0.0516","","","0.1103","0.1338","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501734","9.5862","0.0005","8.1401","0.0004","21.2445","0.0012","90","","94.236","0.004","90","","1653.24","0.15","400","2","400","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.1304","0.0534","","","0.1022","0.136","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501735","9.6404","0.0017","8.2037","0.0014","21.187","0.004","90","","94.384","0.014","90","","1670.7","0.5","454","2","454","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.1544","0.0575","","","0.1074","0.1466","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501736","9.6444","0.0013","8.216","0.001","21.172","0.003","90","","94.206","0.01","90","","1673.1","0.4","465","2","465","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.2553","0.0571","","","0.1049","0.1706","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501737","9.656","0.003","8.247","0.002","21.156","0.006","90","","94.6","0.02","90","","1679.3","0.8","487","2","487","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(thioxanthen-9-ylidene)indane-1,3-dione","","- C22 H12 O2 S -","- C22 H12 O2 S -","- C88 H48 O8 S4 -","4","1","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.181","0.0564","","","0.1157","0.1704","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501738","10.1199","0.0015","8.2949","0.0012","11.6257","0.0017","90","","109.455","0.002","90","","920.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0443","0.0384","","","0.0964","0.1003","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501739","10.1822","0.0006","8.4359","0.0005","11.6494","0.0006","90","","109.537","0.002","90","","943.03","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0705","0.0403","","","0.0873","0.1002","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501740","10.2391","0.0011","8.5602","0.0009","11.6621","0.0011","90","","109.646","0.004","90","","962.67","0.17","432","2","432","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.0925","0.0419","","","0.0847","0.1006","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501741","10.2759","0.0011","8.6249","0.0009","11.6667","0.0011","90","","109.729","0.004","90","","973.31","0.17","508","2","508","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.1087","0.0437","","","0.091","0.1129","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501742","10.2832","0.0006","8.6313","0.0004","11.6644","0.0006","90","","109.758","0.004","90","","974.35","0.09","530","2","530","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bainthrone","9,9'-bi-9(10H)-anthracenylidene-10,1'-dione","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","","Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol","On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.","The journal of physical chemistry. A","2011","115","30","8563","8570","10.1021/jp2040339","","","0.71073","MoKα","","0.2624","0.0492","","","0.0847","0.141","","","","","","0.864","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501743","12.102","0.005","6.175","0.005","25.167","0.005","90","0.005","92.532","0.005","90","0.005","1878.9","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 N -","- C29 H17 N -","- C116 H68 N4 -","4","1","","Xin, Qian; Duhm, Steffen; Hosoumi, Shunsuke; Ueno, Nobuo; Tao, Xu-tang; Kera, Satoshi","Impact of Nitrogen Substitution and Molecular Orientation on the Energy-Level Alignment of Heteroacene Films","The Journal of Physical Chemistry C","2011","115","31","15502","","10.1021/jp204277g","","","0.71069","MoKα","","0.1588","0.0517","","","0.1245","0.1857","","","","","","0.831","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501744","12.15","0.003","13.307","0.003","14.206","0.003","64.599","0.002","71.92","0.003","74.904","0.003","1950.5","0.8","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H38 N4 -","- C56 H41 N4 -","- C112 H82 N8 -","2","1","","Yamashita, Hiroaki; Abe, Jiro","Photochromic properties of [2.2]paracyclophane-bridged imidazole dimer with increased photosensitivity by introducing pyrenyl moiety.","The journal of physical chemistry. A","2011","115","46","13332","13337","10.1021/jp204440s","","","0.71073","MoKα","","0.1066","0.0574","","","0.1446","0.1697","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501745","10.97","0.002","8.986","0.0018","20.881","0.004","90","","103.66","0.03","90","","2000.2","0.7","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C88 H64 N32 S8 -","8","1","","Nakanishi, Waro; Hayashi, Satoko; Pitak, Mateusz B.; Hursthouse, Michael B.; Coles, Simon J.","Dynamic and static behaviors of N-Z-N σ(3c-4e) (Z = S, Se, and Te) interactions: atoms-in-molecules dual functional analysis with high-resolution X-ray diffraction determination of electron densities for 2-(2-pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine.","The journal of physical chemistry. A","2011","115","42","11775","11787","10.1021/jp2044898","","","0.71073","MoKα","","0.0907","0.0424","","","0.1169","0.1322","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501746","20.353","0.004","14.179","0.003","10.415","0.003","90","","90","","90","","3005.6","1.2","120","0.1","120","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","1","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.0488","0.0262","","","0.0661","0.0721","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501747","10.517","0.002","14.329","0.003","20.204","0.004","90","","90","","90","","3044.7","1.1","200","0.1","200","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","1","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.0934","0.0364","","","0.0933","0.1094","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501748","20.171","0.004","10.563","0.002","14.348","0.003","90","","90","","90","","3057.1","1.1","240","0.1","240","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","0.5","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.1142","0.043","","","0.116","0.1378","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501749","20.272","0.005","10.583","0.003","14.327","0.003","90","","90","","90","","3073.7","1.3","298","1","298","1","","","","","","","","6","P n m a","-P 2ac 2n","62","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","0.5","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.1271","0.0532","","","0.1603","0.1865","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501750","16.649","0.003","14.441","0.002","20.354","0.003","90","","92.7","0.03","90","","4888.2","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 -","- C13 H18 N2 -","- C208 H288 N32 -","16","2","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71073","MoKα","","0.0709","0.0491","","0.1328","0.1142","","","","1.051","1.063","1.063","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501751","7.947","0.002","8.13","0.002","8.153","0.002","85.9","0.03","76.26","0.03","64.85","0.03","462.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C22 H18 N6 -","2","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71073","MoKα","","0.0421","0.0405","","0.1184","0.1148","","","","1.032","1.03","1.03","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501752","7.462","0.0003","10.6319","0.0004","14.242","0.0006","90","","102.453","0.004","90","","1103.31","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C48 H52 N12 -","4","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71069","MoKα","","0.0573","0.0351","","","0.0869","0.0915","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501753","10.2495","0.0007","6.8618","0.0004","15.9772","0.0009","90","","101.686","0.006","90","","1100.39","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C48 H52 N12 -","4","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71073","MoKα","","0.0631","0.0377","","","0.09","0.0966","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501754","8.9832","0.0004","12.6212","0.0006","9.6863","0.0004","90","","92.414","0.004","90","","1097.25","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C48 H52 N12 -","4","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71069","MoKα","","0.0519","0.0366","","","0.0886","0.0917","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501755","8.0083","0.001","8.1614","0.0008","8.1965","0.0011","85.25","0.007","62.613","0.005","74.373","0.007","457.56","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C20 H18 N6 -","2","1","","Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.","Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.","The journal of physical chemistry. A","2011","115","40","10823","10845","10.1021/jp2045614","","","0.71073","MoKα","","0.0642","0.047","","","0.1137","0.1264","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501756","11.7882","0.0003","7.6411","0.0002","5.7686","0.0002","90","","100.438","0.003","90","","511.01","0.03","20","0.2","20","0.2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl4 Cs2 O2 U -","- Cl4 Cs2 O2 U -","- Cl8 Cs4 O4 U2 -","2","0.25","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Characterization of bonding in cesium uranyl chloride: topological analysis of the experimental charge density.","The journal of physical chemistry. A","2011","115","45","13016","13023","10.1021/jp204965b","","","0.71073","MoKα","","","0.0072","","","","0.0061","0.0082","","","","","1.1084","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1501757","11.5917","0.0001","11.5917","0.0001","11.5917","0.0001","90","","90","","90","","1557.55","0.02","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- B3 Ce Cl D12 Li -","- B3 Ce Cl D12 Li -","- B24 Ce8 Cl8 D96 Li8 -","8","0.166667","","Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.","Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl","The Journal of Physical Chemistry C","2011","115","47","23591","","10.1021/jp205105j","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501758","11.665","0.001","11.665","0.001","11.665","0.001","90","","90","","90","","1587.3","0.2","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- B3 Ce Cl D12 Li -","- B3 Ce Cl D12 Li -","- B24 Ce8 Cl8 D96 Li8 -","8","0.166667","","Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.","Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl","The Journal of Physical Chemistry C","2011","115","47","23591","","10.1021/jp205105j","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501759","16.138","0.003","7.0036","0.0012","22.75","0.004","90","","90","","90","","2571.3","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H16 N6 O4 -","- C10 H16 N6 O4 -","- C80 H128 N48 O32 -","8","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0743","0.0477","","","0.1118","0.1258","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501760","10.9187","0.0003","10.9859","0.0003","14.7065","0.0004","90","","109.838","0.002","90","","1659.38","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0774","0.0477","","","0.114","0.1328","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501761","9.2057","0.0002","9.0165","0.0002","21.1691","0.0005","90","","102.445","0.001","90","","1715.82","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.088","0.0527","","","0.1388","0.1572","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501762","7.865","0.0002","9.6359","0.0002","23.304","0.0005","89.901","0.001","88.777","0.001","70.877","0.001","1668.26","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","2","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.08","0.0463","","","0.128","0.1532","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501763","9.6792","0.0013","10.0246","0.0013","10.2564","0.0014","108.14","0.001","97.415","0.001","104.581","0.001","891.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C40 H36 N8 O8 -","2","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.07","0.0562","","","0.1499","0.1603","","","","","","1.018","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501764","11.6274","0.0011","6.7904","0.0007","26.582","0.003","90","","90","","90","","2098.8","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H30 N4 O4 -","- C20 H30 N4 O4 -","- C80 H120 N16 O16 -","4","0.5","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0701","0.062","","","0.1721","0.1847","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501765","8.3647","0.0012","21.533","0.003","7.79","0.0011","90","","92.707","0.009","90","","1401.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O4 -","- C12 H18 N4 O4 -","- C48 H72 N16 O16 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.1203","0.0621","","","0.1623","0.2001","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501766","12.7313","0.0006","15.6701","0.0008","9.4477","0.0004","90","","110.843","0.001","90","","1761.48","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N6 O4 -","- C14 H24 N6 O4 -","- C56 H96 N24 O16 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.066","0.0557","","","0.1567","0.1657","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501767","10.3054","0.0003","4.4342","0.0001","32.6413","0.0009","90","","97.77","0.001","90","","1477.89","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl2 N4 O6 -","- C10 H12 Cl2 N4 O6 -","- C40 H48 Cl8 N16 O24 -","4","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0492","0.0457","","","0.1285","0.1315","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501768","6.556","0.0002","7.697","0.0002","17.438","0.0008","93.754","0.001","97.256","0.001","116.531","0.002","773.58","0.05","566","2","566","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C36 H38 N6 O2 -","2","1","","Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle","Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores","The Journal of Physical Chemistry C","2011","115","48","23955","","10.1021/jp206204p","","x-ray","0.71073","MoKα","","0.1178","0.0683","","","0.1374","0.1654","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501769","7.6934","0.0002","9.7091","0.0003","11.3685","0.0003","84.576","0.001","73.338","0.002","75.881","0.001","788.67","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Compound X","San341 (Mario)","","- C18 H19 N3 -","- C18 H19 N3 -","- C36 H38 N6 -","2","1","","Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle","Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores","The Journal of Physical Chemistry C","2011","115","48","23955","","10.1021/jp206204p","","x-ray","0.71073","MoKα","","0.1025","0.0564","","","0.1418","0.1731","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501770","16.086","0.003","21.066","0.003","18.104","0.003","90","","100.27","0.07","90","","6037","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Fmoc-TOAC-(Aib)7-OMe","","- C54 H80 N9 O12 -","- C54 H80 N9 O12 -","- C216 H320 N36 O48 -","4","1","","Carlotto, Silvia; Zerbetto, Mirco; Shabestari, Maryam Hashemi; Moretto, Alessandro; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Huber, Martina; Polimeno, Antonino","In silico interpretation of cw-ESR at 9 and 95 GHz of mono- and bis- TOAC-labeled Aib-homopeptides in fluid and frozen acetonitrile.","The journal of physical chemistry. B","2011","115","44","13026","13036","10.1021/jp2063645","","","1.54178","CuKα","","0.1233","0.0864","","","0.2244","0.2382","","","","","","1.213","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501771","26.4461","0.0004","26.4461","0.0004","26.4461","0.0004","90","","90","","90","","18496.3","0.5","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C463.98 H239.98 N32 O313.66 Zn52 -","- C464.009 H240 N31.9992 O313.666 Zn52 -","- C464.009 H240 N31.9992 O313.666 Zn52 -","1","0.00520833","","Larsen, Randy W.; Miksovska, Jaroslava; Musselman, Ronald L.; Wojtas, Lukasz","Ground- and excited-state properties of Zn(II) tetrakis(4-tetramethylpyridyl) pophyrin specifically encapsulated within a Zn(II) HKUST metal-organic framework.","The journal of physical chemistry. A","2011","115","42","11519","11524","10.1021/jp2064408","","","1.54178","CuKα","","0.0992","0.0857","","","0.2352","0.2476","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501772","19.191","0.002","9.8248","0.0011","17.327","0.002","90","","110.442","0.002","90","","3061.2","0.6","173","1","173","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 Li O4 -","- C32 H50 Li O4 -","- C128 H200 Li4 O16 -","4","0.5","","de la Viuda, Mónica; Yus, Miguel; Guijarro, Albert","On the nature of lithium biphenyl in ethereal solvents. A critical analysis unifying DFT calculations, physicochemical data in solution, and a X-ray structure.","The journal of physical chemistry. B","2011","115","49","14610","14616","10.1021/jp2074573","","","0.71073","MoKα","","0.0799","0.0444","","","0.1015","0.1166","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501773","38.113","0.008","5.8256","0.0012","7.8705","0.0016","90","","93.77","0.03","90","","1743.7","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 S4 -","- C22 H12 S4 -","- C88 H48 S16 -","4","0.5","","Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi","Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors","The Journal of Physical Chemistry C","2011","115","48","23984","","10.1021/jp2081484","","","0.71073","MoKα","","0.0676","0.056","","","0.1157","0.1308","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501774","7.6537","0.0003","12.4352","0.0006","16.3279","0.0007","73.674","0.002","85.27","0.002","76.176","0.002","1447.96","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 F4 N8 S2 -","- C29 H25 F4 N8 S2 -","- C58 H50 F8 N16 S4 -","2","1","","von Eschwege, Karel G.; Conradie, Jeanet; Kuhn, Annemarie","Dithizone and Its oxidation products: a DFT, spectroscopic, and X-ray structural study.","The journal of physical chemistry. A","2011","115","51","14637","14646","10.1021/jp208212e","","","0.71073","MoKα","","0.106","0.0626","","","0.1716","0.2182","","","","","","1.102","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501775","6.43","0.002","10.419","0.004","26.21","0.01","98.166","0.014","90.558","0.015","91.15","0.013","1737.6","1.1","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H53 N O8 -","- C36 H53 N O8 -","- C72 H106 N2 O16 -","2","1","","Chahine, Joe; Saffon, Nathalie; Cantuel, Martine; Fery-Forgues, Suzanne","Spontaneous formation of fluorescent nanofibers and reticulated solid from berberine palmitate: a new example of aggregation-induced emission enhancement in organic ion pairs.","Langmuir : the ACS journal of surfaces and colloids","2011","27","6","2844","2853","10.1021/la104302d","","","0.71073","MoKα","","0.3188","0.1377","","","0.3269","0.4222","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501776","4.819","0.001","9.239","0.002","10.384","0.002","90","","90","","97.16","0.05","458.72","0.17","293","2","293","2","","","","","","","","4","P 1 1 21","P 2c","4","chitin","","","- C8 H13 N O5 -","- C8 H13 N O5 -","- C16 H26 N2 O10 -","2","1","","Nishiyama, Yoshiharu; Noishiki, Yasutomo; Wada, Masahisa","X-ray Structure of Anhydrous β-Chitin at 1 Å Resolution","Macromolecules","2011","44","4","950","","10.1021/ma102240r","","","0.7293","synchrotron","","0.1431","0.0701","","","0.1723","0.2099","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501777","13.613","0.008","18.074","0.012","6.101","0.004","90","","98.365","0.008","90","","1485.1","1.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Si -","- C18 H16 Si -","- C72 H64 Si4 -","4","1","","Liu, Jianzhao; Lam, Jacky W. Y.; Jim, Cathy K. W.; Ng, Jason C. Y.; Shi, Jianbing; Su, Huimin; Yeung, Kwok Fai; Hong, Yuning; Faisal, Mahtab; Yu, Yong; Wong, Kam Sing; Tang, Ben Zhong","Thiol−Yne Click Polymerization: Regio- and Stereoselective Synthesis of Sulfur-Rich Acetylenic Polymers with Controllable Chain Conformations and Tunable Optical Properties","Macromolecules","2011","44","1","68","","10.1021/ma1023473","","","0.71073","MoKα","","0.0649","0.0465","","","0.1011","0.1071","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501778","7.7902","0.0002","10.2879","0.0003","15.8076","0.0004","102.028","0.001","93.015","0.001","106.952","0.001","1176.51","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 B2 Fe2 S4 -","- C56 H52 B2 Fe2 S4 -","- C56 H52 B2 Fe2 S4 -","1","0.5","","Li, Haiyan; Sundararaman, Anand; Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Schödel, Frauke; Jäkle, Frieder","Synthesis and Electronic Structure of Ferrocenylborane-Modified Quaterthiophenes and Polythiophenes","Macromolecules","2011","44","1","95","","10.1021/ma1023654","","","1.54178","CuKα","","0.0265","0.0257","","","0.0678","0.0683","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501779","9.777","0.0003","11.5826","0.0004","16.0262","0.0005","81.645","0.002","75.313","0.001","83.325","0.002","1730.94","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H92 B2 Fe2 S4 -","- C82 H92 B2 Fe2 S4 -","- C82 H92 B2 Fe2 S4 -","1","0.5","","Li, Haiyan; Sundararaman, Anand; Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Schödel, Frauke; Jäkle, Frieder","Synthesis and Electronic Structure of Ferrocenylborane-Modified Quaterthiophenes and Polythiophenes","Macromolecules","2011","44","1","95","","10.1021/ma1023654","","","1.54178","CuKα","","0.0761","0.0475","","","0.1073","0.1197","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501780","23.2628","0.0008","8.7389","0.0003","16.6065","0.0006","90","","93.635","0.003","90","","3369.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cl2 N2 O4 Zr -","- C36 H40 Cl2 N2 O4 Zr -","- C144 H160 Cl8 N8 O16 Zr4 -","4","0.5","","Theaker, Giles W.; Morton, Colin; Scott, Peter","Zirconium-Catalyzed Polymerization of a Styrene: Catalyst Reactivation Mechanisms Using Alkenes and Dihydrogen","Macromolecules","2011","44","6","1393","","10.1021/ma102835p","","","0.71073","MoKα","","0.0437","0.0301","","","0.0644","0.067","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501781","8.8164","0.0012","9.4888","0.0015","16.959","0.002","75.473","0.011","75.003","0.01","75.112","0.01","1298.3","0.3","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 N5 Zr -","- C24 H40 N5 Zr -","- C48 H80 N10 Zr2 -","2","1","","Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio","New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene","Macromolecules","2011","44","7","1934","","10.1021/ma1028455","","","0.7107","MoKα","","0.0511","0.0447","","","0.1208","0.1369","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501782","8.743","0.003","9.44","0.003","16.825","0.005","96.416","0.003","104.72","0.005","105.838","0.006","1267.4","0.7","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 N5 Ti -","- C24 H40 N5 Ti -","- C48 H80 N10 Ti2 -","2","1","","Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio","New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene","Macromolecules","2011","44","7","1934","","10.1021/ma1028455","","","0.71073","MoKα","","0.1673","0.0814","","","0.162","0.2005","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501783","13.614","0.007","10.374","0.005","15.394","0.008","90","","98.326","0.01","90","","2151.2","1.9","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N5 Ti -","- C20 H32 N5 Ti -","- C80 H128 N20 Ti4 -","4","1","","Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio","New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene","Macromolecules","2011","44","7","1934","","10.1021/ma1028455","","","0.71073","MoKα","","0.1447","0.0888","","","0.2129","0.2466","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501784","12.4924","0.0002","15.1082","0.0003","25.6216","0.0005","90","","96.8486","0.0007","90","","4801.26","0.15","123.1","","123.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N2 Ti -","- C14 H20 Cl2 N2 Ti -","- C168 H240 Cl24 N24 Ti12 -","12","3","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0256","","","","0.066","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501785","14.606","0.0003","12.1974","0.0003","20.733","0.0004","90","","90","","90","","3693.69","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H11 Cl2 N2 Ti -","- C20 H11 Cl2 N2 Ti -","- C160 H88 Cl16 N16 Ti8 -","8","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0382","","","","0.1054","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501786","6.694","0.0003","17.8966","0.0008","17.2184","0.0007","90","","93.3214","0.0012","90","","2059.3","0.15","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl2 N2 Ti -","- C19 H26 Cl2 N2 Ti -","- C76 H104 Cl8 N8 Ti4 -","4","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0346","","","","0.1039","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501787","6.6559","0.0004","10.1468","0.0005","11.8754","0.0006","88.737","0.0015","83.429","0.0016","79.4303","0.0015","783.23","0.07","123.1","","123.1","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cl2 N2 Ti -","- C14 H20 Cl2 N2 Ti -","- C28 H40 Cl4 N4 Ti2 -","2","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0247","","","","0.0701","","","","","","1.126","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501788","30.917","0.0008","10.5621","0.0003","12.0811","0.0003","90","","92.5986","0.0009","90","","3941.01","0.18","123.1","","123.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Cl2 N2 Ti -","- C18 H28 Cl2 N2 Ti -","- C144 H224 Cl16 N16 Ti8 -","8","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0283","","","","0.0748","","","","","","1.097","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501789","21.6705","0.0018","22.7273","0.0019","27.648","0.002","70.874","0.001","88.818","0.001","64.954","0.001","11544.1","1.6","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C462 H376 O12 Si8 -","- C336 H232 O12 Si8 -","- C336 H232 O12 Si8 -","1","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes","Macromolecules","2011","44","9","3425","","10.1021/ma200081q","","","0.71073","MoKα","","0.0755","0.0566","","","0.1577","0.1655","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501790","32.6146","0.0019","32.6146","0.0019","41.178","0.005","90","","90","","90","","43802","6","85","2","85","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C447 H394 O12 Si8 -","- C447 H394 O12 Si8 -","- C1788 H1576 O48 Si32 -","4","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes","Macromolecules","2011","44","9","3425","","10.1021/ma200081q","","","0.71073","MoKα","","0.1385","0.1193","","","0.3056","0.3139","","","","","","1.971","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501791","6.446","0.002","5.578","0.0019","22.186","0.007","90","","101.943","0.019","90","","780.4","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Darensbourg, Donald J.; Moncada, Adriana I.; Wei, Sheng-Hsuan","Aliphatic Polycarbonates Produced from the Coupling of Carbon Dioxide and Oxetanes and Their Depolymerization via Cyclic Carbonate Formation","Macromolecules","2011","44","8","2568","","10.1021/ma2002323","","","1.54178","CuKα","","0.1702","0.15","","","0.3127","0.3205","","","","","","1.214","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501792","17.268","0.009","18.138","0.01","11.499","0.005","90","","106.48","0.02","90","","3454","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl Cr N2 O6 -","- C36 H36 Cl Cr N2 O6 -","- C144 H144 Cl4 Cr4 N8 O24 -","4","1","","Darensbourg, Donald J.; Moncada, Adriana I.; Wei, Sheng-Hsuan","Aliphatic Polycarbonates Produced from the Coupling of Carbon Dioxide and Oxetanes and Their Depolymerization via Cyclic Carbonate Formation","Macromolecules","2011","44","8","2568","","10.1021/ma2002323","","","1.54184","CuKα","","0.2425","0.0839","","","0.1144","0.1654","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501793","9.1472","0.0003","11.3899","0.0005","32.6773","0.001","90","","90","","90","","3404.5","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 F6 O6 P2 Pd S2 -","- C26 H44 F6 O6 P2 Pd S2 -","- C104 H176 F24 O24 P8 Pd4 S8 -","4","1","","Stempfle, Florian; Quinzler, Dorothee; Heckler, Ilona; Mecking, Stefan","Long-Chain Linear C19and C23Monomers and Polycondensates from Unsaturated Fatty Acid Esters","Macromolecules","2011","44","11","4159","","10.1021/ma200627e","","","0.71073","MoKα","","0.029","0.0253","","","0.0601","0.0607","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501794","10.3089","0.0003","14.8531","0.0004","15.1994","0.0005","90","","100.612","0.002","90","","2287.51","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O10 -","- C24 H24 N4 O10 -","- C96 H96 N16 O40 -","4","1","","Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas","Cocrystals of quercetin with improved solubility and oral bioavailability.","Molecular pharmaceutics","2011","8","5","1867","1876","10.1021/mp200209j","","","1.54178","CuKα","","0.062","0.0434","","","0.109","0.1225","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501795","4.978","0.001","12.636","0.003","15.571","0.003","110.53","0.03","97.63","0.03","99.39","0.03","885.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O8 -","- C21 H16 N2 O8 -","- C42 H32 N4 O16 -","2","1","","Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas","Cocrystals of quercetin with improved solubility and oral bioavailability.","Molecular pharmaceutics","2011","8","5","1867","1876","10.1021/mp200209j","","","0.71073","MoKα","","0.089","0.0592","","","0.1267","0.1418","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501796","6.7198","0.0002","12.2064","0.0004","8.2198","0.0002","90","","107.746","0.001","90","","642.14","0.03","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Lu, Yi; Li, Po-Ju; Hung, Wen-Yu; Su, Jui-Hsin; Wen, Zhi-Hong; Hsu, Chi-Hsin; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng","Nardosinane sesquiterpenoids from the Formosan soft coral Lemnalia flava.","Journal of natural products","2011","74","2","169","174","10.1021/np100541a","","","0.71073","MoKα","","0.0273","0.0271","","","0.0739","0.074","","","","","","1.1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501797","8.933","0.002","9.339","0.002","9.9444","0.0018","116.449","0.007","100.762","0.011","92.763","0.012","721.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N3 O7 -","- C12 H17 N3 O7 -","- C24 H34 N6 O14 -","2","1","","Ma, Cheng; Li, Yan; Niu, Shubin; Zhang, Hua; Liu, Xingzhong; Che, Yongsheng","N-hydroxypyridones, phenylhydrazones, and a quinazolinone from Isaria farinosa.","Journal of natural products","2011","74","1","32","37","10.1021/np100568w","","","0.71073","MoKα","","0.0564","0.0531","","","0.1448","0.1472","","","","","","1.222","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501798","11.916","0.002","6.673","0.0013","21.319","0.004","90","","90.46","0.03","90","","1695.1","0.5","293","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O5 -","- C18.75 H22.25 N O5 -","- C75 H89 N4 O20 -","4","2","","He, Li; Zhang, Yuan-Hu; Guan, Huan-Yu; Zhang, Jian-Xin; Sun, Qian-Yun; Hao, Xiao-Jiang","Cepharatines A-D, hasubanan-type alkaloids from Stephania cepharantha.","Journal of natural products","2011","74","2","181","184","10.1021/np1005696","","","1.54178","CuKα","","0.0609","0.0551","","","0.161","0.1684","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501799","9.393","0.001","14.905","0.001","19.192","0.001","90","","90","","90","","2686.9","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O9 -","- C28 H38 O9 -","- C112 H152 O36 -","4","1","","Tang, Wen-Zhao; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan; Liu, Yun-Bao; Su, Dong-Min; Liu, Jing","Dimeric prenylated C6-C3 compounds from the stem bark of Illicium oligandrum.","Journal of natural products","2011","74","5","1268","1271","10.1021/np100651n","","","0.71073","MoKα","","0.0484","0.0463","","","0.1237","0.1264","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501800","9.2997","0.0003","6.9294","0.0003","10.8143","0.0005","90","","112.279","0.002","90","","644.86","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","McNulty, James; Thorat, Amol; Vurgun, Nesrin; Nair, Jerald J.; Makaji, Emilija; Crankshaw, Denis J.; Holloway, Alison C.; Pandey, Siyaram","Human cytochrome P450 liability studies of trans-dihydronarciclasine: a readily available, potent, and selective cancer cell growth inhibitor.","Journal of natural products","2011","74","1","106","108","10.1021/np100657w","","","1.54178","CuKα","","0.0317","0.0309","","","0.0852","0.0859","","","","","","1.007","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501801","7.7877","0.0011","13.9979","0.0013","15.583","0.0016","90","","90","","90","","1698.7","0.3","120","2","120","2","","","","","","","'natural product isolated from the brown alga Dilophus Spiralis'","3","P 21 21 21","P 2ac 2ab","19","(1R,3E,7S,8S,11S,12S)-7,8-epoxy-14-oxo-3,18-dolabelladiene","(1aS,4E,6aR,9S,9aS,11aS)-9-isopropenyl-4,6a,11a-trimethyl-2,3,6,6a,8,9,9a, 10,11,11a-decahydrocyclopenta[5,6]cycloundeca[1,2-b]oxiren-7(1aH)-one","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Ioannou, Efstathia; Quesada, Antonio; Rahman, M. Mukhlesur; Gibbons, Simon; Vagias, Constantinos; Roussis, Vassilios","Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis.","Journal of natural products","2011","74","2","213","222","10.1021/np1006586","","","0.71073","MoKα","","0.0722","0.045","","","0.0939","0.108","","","","","","0.994","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501802","11.5246","0.0011","5.8509","0.0006","42.613","0.004","90","","93.203","0.009","90","","2868.9","0.5","152","2","152","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C30 H46 O4 S -","- C30 H46 O4 S -","- C120 H184 O16 S4 -","4","1","","Gawas, Dnyaneshwar; Garcia, Ronald; Huch, Volker; Müller, Rolf","A highly conjugated dihydroxylated C28 steroid from a myxobacterium.","Journal of natural products","2011","74","5","1281","1283","10.1021/np100682c","","","0.71073","MoKα","","0.1385","0.1174","","","0.2733","0.2785","","","","","","2.395","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501803","10.534","0.002","14.952","0.003","33.511","0.007","90","","90","","90","","5278.1","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H79 N6 O13.5 -","- C49 H79 N6 O13.5 -","- C196 H316 N24 O54 -","4","1","","Montaser, Rana; Abboud, Khalil A.; Paul, Valerie J.; Luesch, Hendrik","Pitiprolamide, a proline-rich dolastatin 16 analogue from the marine cyanobacterium Lyngbya majuscula from Guam.","Journal of natural products","2011","74","1","109","112","10.1021/np1006839","","","0.71073","MoKα","","0.1639","0.0499","","","0.0626","0.0812","","","","","","0.727","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501804","8.583","0.002","9.549","0.003","11.107","0.003","73.568","0.004","69.697","0.003","67.017","0.004","774.5","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H23.5 O5 -","- C15 H23.5 O5 -","- C30 H47 O10 -","2","2","","Li, Guohong; Liu, Fangfang; Shen, Lan; Zhu, Huajie; Zhang, Keqin","Stereumins H-J, stereumane-type sesquiterpenes from the fungus Stereum sp.","Journal of natural products","2011","74","2","296","299","10.1021/np100813f","","","0.71073","MoKα","","0.2028","0.0875","","","0.1952","0.2622","","","","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501805","9.90868","0.00012","34.4359","0.0006","14.3561","0.00016","90","","90","","90","","4898.51","0.12","293","2","293","2","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- C9 H20 Cl N -","- C9 H20 Cl N -","- C144 H320 Cl16 N16 -","16","2","","Kavala, Miroslav; Mathia, František; Kožíšek, Jozef; Szolcsányi, Peter","Efficient total synthesis of (+)-dihydropinidine, (-)-epidihydropinidine, and (-)-pinidinone.","Journal of natural products","2011","74","4","803","808","10.1021/np100852p","","","1.54184","CuKα","","0.0684","0.0655","","","0.2134","0.2177","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501806","7.3433","0.0003","11.4642","0.0004","9.1189","0.0003","90","","107.807","0.002","90","","730.9","0.05","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C34 H36 O10 -","2","1","","Wong, Su-Ling; Chang, Hsun-Shuo; Wang, Guei-Jane; Chiang, Michael Y.; Huang, Hung-Yi; Chen, Chu-Huang; Tsai, Shiow-Chwen; Lin, Chu-Hung; Chen, Ih-Sheng","Secondary metabolites from the roots of Neolitsea daibuensis and their anti-inflammatory activity.","Journal of natural products","2011","74","12","2489","2496","10.1021/np100874f","","","0.71073","MoKα","","0.026","0.0254","","","0.0633","0.0637","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501807","7.2182","0.0002","8.5374","0.0003","12.1649","0.0004","90","","99.722","0.002","90","","738.89","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cbz-dolamethylleuine","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.","Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.","Journal of natural products","2011","74","5","1003","1008","10.1021/np100877h","","","1.54178","CuKα","","0.0877","0.0597","","","0.1574","0.2262","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501808","10.844","0.005","16.113","0.005","16.05","0.005","90","0.005","104.062","0.005","90","0.005","2720.4","1.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Dolastatin-16","","","- C49 H79 N7 O13 -","- C49 H73 N7 O13 -","- C98 H146 N14 O26 -","2","1","","Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.","Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.","Journal of natural products","2011","74","5","1003","1008","10.1021/np100877h","","","1.54178","CuKα","","0.051","0.0429","","","0.1144","0.1485","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501809","7.9918","0.0005","6.385","0.0005","13.4458","0.0011","90","","103.181","0.001","90","","668.03","0.09","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","?'TFA-dolaphenvaline'","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C26 H28 F6 N2 O6 -","2","1","","Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.","Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.","Journal of natural products","2011","74","5","1003","1008","10.1021/np100877h","","","0.71073","MoKα","","0.0289","0.0284","","","0.0721","0.0726","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501810","5.8825","0.0001","8.9553","0.0002","14.6363","0.00015","90","","100.671","0.001","90","","757.7","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Huang, Hongbo; Feng, Xiaojun; Xiao, Ze'en; Liu, Lan; Li, Hanxiang; Ma, Lin; Lu, Yongjun; Ju, Jianhua; She, Zhigang; Lin, Yongcheng","Azaphilones and p-terphenyls from the mangrove endophytic fungus Penicillium chermesinum (ZH4-E2) isolated from the South China Sea.","Journal of natural products","2011","74","5","997","1002","10.1021/np100889v","","","1.5418","CuKα","","0.0344","0.0308","","","0.0744","0.0772","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501811","7.7118","0.0012","10.43","0.003","25.351","0.007","90","","90","","90","","2039.1","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N O3 -","- C22 H33 N O3 -","- C88 H132 N4 O12 -","4","1","","Chou, Bo-Hon; Yang, Li-Ming; Chang, Shwu-Fen; Hsu, Feng-Lin; Wang, Li-Hsuan; Lin, Wen-Kuang; Liu, Pan-Chun; Lin, Shwu-Jiuan","Transformation of isosteviol lactam by fungi and the suppressive effects of its transformed products on LPS-induced iNOS expression in macrophages.","Journal of natural products","2011","74","6","1379","1385","10.1021/np100915q","","","1.54178","CuKα","","0.153","0.0611","","","0.1239","0.165","","","","","","0.976","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501812","12.1972","0.001","8.9304","0.0005","18.0154","0.0014","90","","90.176","0.005","90","","1962.3","0.2","90","0.5","90","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","2","","Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K.","Labdane diterpenoids from Leonurus sibiricus.","Journal of natural products","2011","74","4","831","836","10.1021/np100956k","","","1.54178","CuKα","","0.0282","0.0279","","","0.0742","0.0747","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501813","11.373","0.003","11.703","0.002","15.508","0.003","90","","90","","90","","2064.1","0.8","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C88 H136 O28 -","4","1","","Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K.","Labdane diterpenoids from Leonurus sibiricus.","Journal of natural products","2011","74","4","831","836","10.1021/np100956k","","","1.54178","CuKα","","0.075","0.052","","","0.119","0.131","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501814","11.3687","0.0009","11.7108","0.0009","15.5053","0.0011","90","","90","","90","","2064.3","0.3","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C88 H136 O28 -","4","1","","Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K.","Labdane diterpenoids from Leonurus sibiricus.","Journal of natural products","2011","74","4","831","836","10.1021/np100956k","","","1.54178","CuKα","","0.0315","0.0313","","","0.0735","0.0736","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1501815","12.491","0.0002","13.4647","0.0002","34.3327","0.0005","90","","90","","90","","5774.33","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O9 -","- C32 H40 O9 -","- C256 H320 O72 -","8","2","","Najmuldeen, Ibrahim A.; Hadi, A Hamid A; Awang, Khalijah; Mohamad, Khalit; Ketuly, Kamal Aziz; Mukhtar, Mat Ropi; Chong, Soon-Lim; Chan, Gomathi; Nafiah, Mohd Azlan; Weng, Ng Seik; Shirota, Osamu; Hosoya, Takahiro; Nugroho, Alfarius E.; Morita, Hiroshi","Chisomicines A-C, limonoids from Chisocheton ceramicus.","Journal of natural products","2011","74","5","1313","1317","10.1021/np200013g","","","0.71073","MoKα","","0.0573","0.0479","","","0.122","0.1288","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501816","10.3372","0.0003","16.3424","0.0003","13.1251","0.0004","90","","93.2976","0.0012","90","","2213.61","0.1","150","","150","","","","","","","","Maytenus mekongensis","4","P 1 21 1","P 2yb","4","7-epi-mekongensine","","","- C45 H51 N O20 -","- C45 H51 N O20 -","- C90 H102 N2 O40 -","2","1","","Lhinhatrakool, Thitima; Prabpai, Samran; Kongsaeree, Palangpon; Sutthivaiyakit, Somyote","Antiplasmodial sesquiterpene alkaloids from the roots of Maytenus mekongensis.","Journal of natural products","2011","74","6","1386","1391","10.1021/np200014k","","x-ray","0.71073","MoKα","","0.0898","0.0604","","","0.1419","0.1584","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501817","15.595","0.003","11.656","0.002","17.393","0.004","90","","114.91","0.03","90","","2867.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Penipanoid A","2-(5-(4-hydroxybenzyl)-1H-1,2,4-triazol-1-yl)benzoic acid","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C128 H104 N24 O24 -","8","2","","Li, Chun-Shun; An, Chun-Yan; Li, Xiao-Ming; Gao, Shu-Shan; Cui, Chuan-Ming; Sun, Hao-Fen; Wang, Bin-Gui","Triazole and dihydroimidazole alkaloids from the marine sediment-derived fungus Penicillium paneum SD-44.","Journal of natural products","2011","74","5","1331","1334","10.1021/np200037z","","","0.71073","MoKα","","","0.0481","","","0.1222","0.129","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501818","13.846","0.004","6.1634","0.0017","15.497","0.004","90","","105.886","0.015","90","","1272","0.6","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O5 -","- C29 H42 O5 -","- C58 H84 O10 -","2","1","","Chao, Chih-Hua; Chou, Kuei-Ju; Wen, Zhi-Hong; Wang, Guey-Horng; Wu, Yang-Chang; Dai, Chang-Feng; Sheu, Jyh-Horng","Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala.","Journal of natural products","2011","74","5","1132","1141","10.1021/np2000705","","","0.71073","MoKα","","0.0301","0.0285","","","0.0692","0.0725","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501819","6.5336","0.0005","14.5778","0.001","23.6095","0.0016","90","","90","","90","","2248.7","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O3 -","- C27 H38 O3 -","- C108 H152 O12 -","4","1","","Chao, Chih-Hua; Chou, Kuei-Ju; Wen, Zhi-Hong; Wang, Guey-Horng; Wu, Yang-Chang; Dai, Chang-Feng; Sheu, Jyh-Horng","Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala.","Journal of natural products","2011","74","5","1132","1141","10.1021/np2000705","","","0.71073","mokα","","0.0385","0.037","","","0.0886","0.0894","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501820","9.84","0.005","18.655","0.007","10.168","0.005","90","","101.518","0.016","90","","1828.9","1.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H44 O14 -","- C39.45 H41.7 O13.35 -","- C78.9 H83.4 O26.7 -","2","1","","Fang, Ping-Lei; Cao, Ying-Li; Yan, Huan; Pan, Li-Li; Liu, Shu-Cong; Gong, Ning-Bo; Lü, Yang; Chen, Chang-Xiang; Zhong, Hui-Min; Guo, Ying; Liu, Hai-Yang","Lindenane disesquiterpenoids with anti-HIV-1 activity from Chloranthus japonicus.","Journal of natural products","2011","74","6","1408","1413","10.1021/np200087d","","","1.54187","CuKα","","0.07","0.0673","","","0.1852","0.1909","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1501821","6.1059","0.0001","12.3606","0.0002","34.9384","0.0006","90","","90","","90","","2636.89","0.08","293","2","293","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H48 O5.5 -","- C27.5 H48 O5.5 -","- C110 H192 O22 -","4","1","","Challinor, Victoria L.; Stuthe, Julia M. U.; Bernhardt, Paul V.; Lehmann, Reginald P.; Kitching, William; De Voss, James J.","Structure and absolute configuration of helosides A and B, new saponins from Chamaelirium luteum.","Journal of natural products","2011","74","7","1557","1560","10.1021/np200100a","","x-ray","1.54184","CuKα","","0.0637","0.0593","","","0.1813","0.1866","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501822","11.9928","0.0003","12.0355","0.0003","12.1352","0.0009","90","","90","","90","","1751.59","0.14","153","","153","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Chemical constituents of a marine fungus, Arthrinium sacchari.","Journal of natural products","2011","74","7","1645","1649","10.1021/np200108h","","","1.54187","CuKα","","","0.0425","","","","0.1015","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501823","11.3885","0.0003","11.8068","0.0005","12.5872","0.0009","90","","90","","90","","1692.5","0.15","153","","153","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Chemical constituents of a marine fungus, Arthrinium sacchari.","Journal of natural products","2011","74","7","1645","1649","10.1021/np200108h","","","1.54187","CuKα","","","0.0415","","","","0.1015","","","","","","1.117","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501824","10.5854","0.0007","7.81311","0.00015","10.6146","0.0008","90","","98.851","0.007","90","","867.43","0.09","93.1","","93.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Chemical constituents of a marine fungus, Arthrinium sacchari.","Journal of natural products","2011","74","7","1645","1649","10.1021/np200108h","","","1.54187","CuKα","","","0.0509","","","","0.1374","","","","","","1.126","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501825","10.9434","0.0002","12.4201","0.0002","22.1019","0.0004","90","","90","","90","","3004.05","0.09","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C128 H192 O40 -","8","2","","Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang","Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.","Journal of natural products","2011","74","5","1230","1235","10.1021/np200164k","","","1.54178","CuKα","","0.0391","0.0361","","","0.0912","0.0928","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501826","8.738","0.0001","12.2728","0.0001","14.3159","0.0001","90","","97.163","0.001","90","","1523.25","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","2","","Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang","Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.","Journal of natural products","2011","74","5","1230","1235","10.1021/np200164k","","","1.54178","CuKα","","0.0312","0.0293","","","0.0736","0.0751","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501827","7.3125","0.0002","12.4303","0.0005","13.9596","0.0007","90","","90","","90","","1268.88","0.09","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang","Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.","Journal of natural products","2011","74","5","1230","1235","10.1021/np200164k","","","1.54178","CuKα","","0.0265","0.0258","","","0.0661","0.0666","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501828","7.726","0.013","6.353","0.01","23.42","0.04","90","","93.2","0.02","90","","1148","3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H33 O7 -","- C22 H33 O7 -","- C44 H66 O14 -","2","1","","Wei, Lu-Xia; Zhang, Hui-Xiang; Tan, Jian-Lin; Chu, Yan-Sheng; Li, Nan; Xue, Hua-Xi; Wang, Yan-Li; Niu, Xue-Mei; Zhang, Ying; Zhang, Ke-Qin","Arthrobotrisins A-C, oligosporons from the nematode-trapping fungus Arthrobotrys oligospora.","Journal of natural products","2011","74","6","1526","1530","10.1021/np200187z","","","0.71073","MoKα","","0.15","0.0714","","","0.1497","0.1917","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501829","8.0495","0.0003","17.7248","0.0006","19.2463","0.0007","90","","90","","90","","2745.98","0.17","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C120 H184 O16 -","4","1","","Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung","Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.","Journal of natural products","2011","74","8","1744","1750","10.1021/np2002435","","x-ray","0.71073","MoKα","","0.0569","0.0444","","","0.1066","0.1109","","","","","","0.934","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501830","11.1004","0.0002","12.7518","0.0003","20.9205","0.0004","90","","90","","90","","2961.3","0.1","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","","Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung","Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.","Journal of natural products","2011","74","8","1744","1750","10.1021/np2002435","","x-ray","0.71073","MoKα","","0.0616","0.0519","","","0.1487","0.1534","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501831","6.7903","0.0006","7.0914","0.0005","14.7228","0.0013","78.885","0.007","81.171","0.007","63.15","0.008","618.86","0.1","110","2","110","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C30 H46 O3 -","1","1","","Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung","Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.","Journal of natural products","2011","74","8","1744","1750","10.1021/np2002435","","x-ray","0.71073","MoKα","","0.0849","0.0631","","","0.1479","0.1561","","","","","","0.921","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501832","24.5968","0.0006","10.0636","0.0002","14.663","0.0004","90","","90","","90","","3629.57","0.15","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C35 H54 N O14.5 -","- C35 H45 N O14.5 -","- C140 H180 N4 O58 -","4","1","","Rateb, Mostafa E.; Houssen, Wael E.; Arnold, Markus; Abdelrahman, Mostafa H.; Deng, Hai; Harrison, William T. A.; Okoro, Chinyere K.; Asenjo, Juan A.; Andrews, Barbara A.; Ferguson, Gail; Bull, Alan T.; Goodfellow, Michael; Ebel, Rainer; Jaspars, Marcel","Chaxamycins A-D, bioactive ansamycins from a hyper-arid desert Streptomyces sp.","Journal of natural products","2011","74","6","1491","1499","10.1021/np200320u","","","0.71073","MoKα","","0.2172","0.1986","","","0.3998","0.4102","","","","","","1.165","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1501833","9.873","0.002","14.759","0.004","15.008","0.003","90","","90","","90","","2186.9","0.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","","Ciavatta, Maria Letizia; Manzo, Emiliano; Mollo, Ernesto; Mattia, Carlo Andrea; Tedesco, Consiglia; Irace, Carlo; Guo, Yue-Wei; Li, Xiu-Bao; Cimino, Guido; Gavagnin, Margherita","Tritoniopsins A-D, cladiellane-based diterpenes from the South China Sea nudibranch Tritoniopsis elegans and its prey Cladiella krempfi.","Journal of natural products","2011","74","9","1902","1907","10.1021/np200342k","","","1.54178","CuKα","","0.0985","0.0691","","","0.1886","0.2781","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501834","16.0472","0.001","8.5891","0.0005","15.6785","0.0009","90","","116.563","0.001","90","","1932.9","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Huang, Hongbo; Yao, Yueliang; He, Zhengxiang; Yang, Tingting; Ma, Junying; Tian, Xinpeng; Li, Yayong; Huang, Caiguo; Chen, Xiaoping; Li, Wenjun; Zhang, Si; Zhang, Changsheng; Ju, Jianhua","Antimalarial β-carboline and indolactam alkaloids from Marinactinospora thermotolerans, a deep sea isolate.","Journal of natural products","2011","74","10","2122","2127","10.1021/np200399t","","","0.71073","MoKα","","0.0644","0.0431","","","0.1061","0.1179","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501835","7.2659","0.0005","14.0034","0.0009","13.9617","0.0009","90","","97.446","0.002","90","","1408.59","0.16","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)cereotrypethelone","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","2","","Elsebai, Mahmoud Fahmi; Natesan, Lavanya; Kehraus, Stefan; Mohamed, Ietidal E.; Schnakenburg, Gregor; Sasse, Florenz; Shaaban, Saad; Gütschow, Michael; König, Gabriele M","HLE-inhibitory alkaloids with a polyketide skeleton from the marine-derived fungus Coniothyrium cereale.","Journal of natural products","2011","74","10","2282","2285","10.1021/np2004227","","","0.71073","MoKα","","0.0479","0.0399","","","0.1045","0.1102","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501836","8.4601","0.0017","11.033","0.002","18.202","0.004","90","","90","","90","","1699","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O10 -","- C14.92 H20.56 O10 -","- C59.68 H82.24 O40 -","4","1","","Yu, Yang; Song, Weixia; Zhu, Chenggen; Lin, Sheng; Zhao, Feng; Wu, Xiuli; Yue, Zhenggang; Liu, Bo; Wang, Sujuan; Yuan, Shaopeng; Hou, Qi; Shi, Jiangong","Homosecoiridoids from the flower buds of Lonicera japonica.","Journal of natural products","2011","74","10","2151","2160","10.1021/np2004566","","","1.54178","CuKα","","0.0864","0.0658","","","0.1517","0.1682","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501837","8.8119","0.0005","11.8088","0.0004","25.8659","0.0015","90","","90","","90","","2691.6","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Rateb, Mostafa E.; Houssen, Wael E.; Harrison, William T. A.; Deng, Hai; Okoro, Chinyere K.; Asenjo, Juan A.; Andrews, Barbara A.; Bull, Alan T.; Goodfellow, Michael; Ebel, Rainer; Jaspars, Marcel","Diverse metabolic profiles of a Streptomyces strain isolated from a hyper-arid environment.","Journal of natural products","2011","74","9","1965","1971","10.1021/np200470u","","","0.71073","MoKα","","0.0627","0.0444","","","0.0863","0.0939","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501838","10.2388","0.0005","12.9739","0.0008","30.5211","0.0016","90","","90","","90","","4054.3","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H56 O15 -","- C39 H56 O15 -","- C156 H224 O60 -","4","1","","Xu, Jing; Guo, Yuanqiang; Xie, Chunfeng; Li, Yushan; Gao, Jie; Zhang, Tiejun; Hou, Wenbin; Fang, Lingzhi; Gui, Liping","Bioactive myrsinol diterpenoids from the roots of Euphorbia prolifera.","Journal of natural products","2011","74","10","2224","2230","10.1021/np200591h","","","1.54187","CuKα","","0.052","0.0503","","","0.1106","0.1132","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501839","5.63332","0.00009","10.58166","0.00016","13.6258","0.0002","90","","101.109","0.0016","90","","797.01","0.02","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","0.5","","Barrett, Tim N.; Braddock, D. Christopher; Monta, Anna; Webb, Michael R.; White, Andrew J. P.","Total synthesis of the marine metabolite (±)-polysiphenol via highly regioselective intramolecular oxidative coupling.","Journal of natural products","2011","74","9","1980","1984","10.1021/np200596q","","","1.54184","CuKα","","0.0354","0.0337","","","0.0946","0.0962","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501840","4.58461","0.00019","7.2511","0.0002","27.3156","0.0009","90","","94.269","0.004","90","","905.55","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 O4 -","- C18 H20 Br2 O4 -","- C36 H40 Br4 O8 -","2","0.5","","Barrett, Tim N.; Braddock, D. Christopher; Monta, Anna; Webb, Michael R.; White, Andrew J. P.","Total synthesis of the marine metabolite (±)-polysiphenol via highly regioselective intramolecular oxidative coupling.","Journal of natural products","2011","74","9","1980","1984","10.1021/np200596q","","","0.71073","MoKα","","0.0535","0.0315","","","0.0723","0.0756","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501841","4.39738","0.00009","13.7231","0.0003","14.4505","0.0004","90","","94.203","0.002","90","","869.68","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br2 O4 -","- C18 H18 Br2 O4 -","- C36 H36 Br4 O8 -","2","0.5","","Barrett, Tim N.; Braddock, D. Christopher; Monta, Anna; Webb, Michael R.; White, Andrew J. P.","Total synthesis of the marine metabolite (±)-polysiphenol via highly regioselective intramolecular oxidative coupling.","Journal of natural products","2011","74","9","1980","1984","10.1021/np200596q","","","1.54184","CuKα","","0.0368","0.0302","","","0.0781","0.0813","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501842","7.155","0.0008","25.307","0.002","12.8341","0.00011","90","","123.88","0.002","90","","1929.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Fu, Peng; Liu, Peipei; Qu, Haijun; Wang, Yi; Chen, Dianfeng; Wang, Hui; Li, Jing; Zhu, Weiming","Α-pyrones and diketopiperazine derivatives from the marine-derived actinomycete Nocardiopsis dassonvillei HR10-5.","Journal of natural products","2011","74","10","2219","2223","10.1021/np200597m","","","0.71073","MoKα","","0.1468","0.0525","","","0.0764","0.0882","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501843","31.391","0.014","7.212","0.003","12.407","0.005","90","","103.261","0.006","90","","2734","2","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.1492","0.0649","","","0.1406","0.1886","","","","","","0.948","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501844","31.267","0.006","6.8755","0.0014","14.753","0.003","90","","111.429","0.002","90","","2952.3","1","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H38 O5 -","- C27 H38 O5 -","- C108 H152 O20 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.0924","0.0749","","","0.2065","0.224","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501845","7.5","0.007","17.596","0.016","10.344","0.009","90","","98.773","0.009","90","","1349","2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.0573","0.0434","","","0.1014","0.1095","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501846","7.541","0.008","10.852","0.011","36.43","0.04","90","","90","","90","","2981","5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 O4 -","- C32 H52 O4 -","- C128 H208 O16 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.1295","0.0833","","","0.2153","0.2472","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501847","7.299","0.005","16.568","0.012","23.238","0.017","90","","90","","90","","2810","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O5 -","- C31 H46 O5 -","- C124 H184 O20 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.1234","0.0572","","","0.1087","0.1358","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501848","10.389","0.0002","10.4473","0.0002","23.0709","0.0004","90","","90","","90","","2504.05","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Alstoumerine","","","- C22 H26 Cl6 N2 O2 -","- C22 H26 Cl6 N2 O2 -","- C88 H104 Cl24 N8 O8 -","4","1","","Lim, Siew-Huah; Tan, Shin-Jowl; Low, Yun-Yee; Kam, Toh-Seok","Lumutinines A-D, linearly fused macroline-macroline and macroline-sarpagine bisindoles from Alstonia macrophylla.","Journal of natural products","2011","74","12","2556","2562","10.1021/np200730j","","","0.71073","MoKα","","0.0493","0.0397","","","0.0827","0.0867","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501849","15.429","0.002","6.4378","0.0009","16.994","0.003","90","","105.454","0.014","90","","1627","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N4 -","- C44 H42 N4 -","- C88 H84 N8 -","2","0.5","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.0739","0.0416","","","0.0898","0.0974","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501850","15.338","0.003","13.793","0.002","15.4883","0.0017","90","","90","","90","","3276.7","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H40 N4 Ni -","- C44 H40 N4 Ni -","- C176 H160 N16 Ni4 -","4","0.5","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.0618","0.0377","","","0.1023","0.1105","","","","","","0.786","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501851","24.668","0.002","17.4685","0.0009","25.941","0.002","90","0.002","107.172","0.01","90","0.01","10680","1.4","293","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N2 O4 -","- C26 H27.5 N2 O4 -","- C416 H440 N32 O64 -","16","2","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.128","0.0712","","","0.1985","0.2237","","","","","","0.92","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501852","8.9091","0.0006","4.86","0.0003","17.9948","0.0012","90","","100.636","0.001","90","","765.76","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C36 H32 N8 O4 -","2","1","","Su, Xin; Aprahamian, Ivan","Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch.","Organic letters","2011","13","1","30","33","10.1021/ol102422h","","x-ray","0.71073","MoKα","","0.044","0.0421","","","0.1165","0.1182","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501853","7.3881","0.0007","10.9108","0.001","15.096","0.0014","101.546","0.001","95.941","0.001","105.033","0.001","1135.82","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F6 N4 O6 -","- C22 H18 F6 N4 O6 -","- C44 H36 F12 N8 O12 -","2","1","","Su, Xin; Aprahamian, Ivan","Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch.","Organic letters","2011","13","1","30","33","10.1021/ol102422h","","x-ray","0.71073","MoKα","","0.0679","0.0503","","","0.1338","0.1483","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501854","12.632","0.003","9.666","0.002","12.804","0.003","90","","116.024","0.007","90","","1404.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","ABIV-284","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","2","","Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier","DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.","Organic letters","2011","13","2","192","195","10.1021/ol102454e","","","1.54178","CuKα","","0.0261","0.0258","","","0.064","0.0642","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501855","8.782","0.004","19.177","0.008","9.362","0.004","90","","113.9","0.02","90","","1441.5","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","ABIV-293","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier","DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles.","Organic letters","2011","13","2","192","195","10.1021/ol102454e","","","1.54178","CuKα","","0.0365","0.0343","","","0.0834","0.0851","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501856","7.1397","0.0001","6.5723","0.0001","21.7434","0.0004","90","","98.501","0.001","90","","1009.08","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Fe O6 S -","- C21 H22 Fe O6 S -","- C42 H44 Fe2 O12 S2 -","2","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0288","0.0277","","","0.0657","0.0661","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501857","12.0135","0.0003","12.644","0.0003","13.0635","0.0004","90","","90","","90","","1984.33","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Fe O6 S -","- C20 H20 Fe O6 S -","- C80 H80 Fe4 O24 S4 -","4","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0237","0.0232","","","0.0613","0.0615","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501858","6.1275","0.0001","9.7503","0.0001","35.2888","0.0005","90","","90","","90","","2108.33","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Fe O6 S -","- C21 H22 Fe O6 S -","- C84 H88 Fe4 O24 S4 -","4","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0307","0.0272","","","0.0656","0.0667","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501859","11.0138","0.0008","11.3199","0.0009","11.6948","0.0009","90","","98.794","0.002","90","","1440.91","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","","Jiao, Yinchun; Cao, Chenzhong; Zhou, Zaichun","Direct synthesis of anti-1,3-diols through nonclassical reaction of aryl Grignard reagents with isopropenyl acetate.","Organic letters","2011","13","2","180","183","10.1021/ol102520y","","","0.71073","MoKα","","0.071","0.0473","","","0.1176","0.1348","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501860","11.751","0.002","7.9495","0.0016","32.608","0.006","90","","108.379","0.007","90","","2890.7","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C136 H160 O16 -","8","2","","Jiao, Yinchun; Cao, Chenzhong; Zhou, Zaichun","Direct synthesis of anti-1,3-diols through nonclassical reaction of aryl Grignard reagents with isopropenyl acetate.","Organic letters","2011","13","2","180","183","10.1021/ol102520y","","","0.71073","MoKα","","0.0764","0.0453","","","0.1154","0.1379","","","","","","1.003","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501861","10.2004","0.0002","10.4858","0.0002","10.936","0.0001","79.725","0.001","79.268","0.001","81.578","0.002","1123.03","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H6 B F15 O -","- C24 H6 B F15 O -","- C48 H12 B2 F30 O2 -","2","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","1.54178","CuKα","","0.04","0.0381","","","0.1059","0.1082","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501862","14.2119","0.0002","16.668","0.0002","18.1682","0.0003","90","","90","","90","","4303.75","0.11","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H6 B F15 O -","- C22 H6 B F15 O -","- C176 H48 B8 F120 O8 -","8","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","0.71073","MoKα","","0.0741","0.0531","","","0.1168","0.1305","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501863","12.6904","0.0003","10.1992","0.0004","18.6406","0.0009","90","","106.434","0.002","90","","2314.12","0.16","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 B F15 -","- C24 H10 B F15 -","- C96 H40 B4 F60 -","4","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","1.54178","CuKα","","0.047","0.0426","","","0.1121","0.1163","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501864","11.15","0.007","11.305","0.008","31.2","0.03","90","","90","","90","","3933","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O2 S -","- C23 H20 O2 S -","- C184 H160 O16 S8 -","8","2","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1914","0.0709","","","0.1861","0.2301","","","","","","0.847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501865","20.063","0.011","10.21","0.006","21.815","0.016","90","","89.42","0.02","90","","4468","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C51 H44 O5 S2 -","- C51 H44 O5 S2 -","- C204 H176 O20 S8 -","4","1","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1183","0.0997","","","0.244","0.1942","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501866","8.351","0.005","10.444","0.005","13.019","0.009","105.335","0.003","97.845","0.005","105.307","0.005","1029.9","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H22 O2 S -","- C24 H22 O2 S -","- C48 H44 O4 S2 -","2","2","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1102","0.0764","","","0.1767","0.2089","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501867","6.124","0.003","14.952","0.008","12.56","0.009","90","","91.07","0.02","90","","1149.9","1.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 F6 O2 S -","- C23 H18 F6 O2 S -","- C46 H36 F12 O4 S2 -","2","1","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.093","0.0756","","","0.2088","0.2274","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501868","6.297","0.0013","19.655","0.004","8.8472","0.0018","90","","91.87","0.03","90","","1094.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C48 H54 N2 O10 -","2","1","","Wang, Lin; Xi, Yumeng; Yang, Shouliang; Zhu, Rong; Liang, Yufan; Chen, Jiahua; Yang, Zhen","Asymmetric total synthesis and structural elucidation of NFAT-68.","Organic letters","2011","13","1","74","77","10.1021/ol102574d","","","0.71073","MoKα","","0.2115","0.0592","","","0.0652","0.085","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501869","7.4253","0.0015","6.7697","0.0014","16.333","0.003","90","","102.13","0.03","90","","802.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C32 H34 N2 O14 -","2","1","","Chen, Yan; Ju, Tong","Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3).","Organic letters","2011","13","1","86","89","10.1021/ol102586w","","","0.71073","MoKα","","0.0496","0.0371","","","0.0875","0.0955","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501870","5.4202","0.0011","10.233","0.002","18.723","0.004","90","","90","","90","","1038.5","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","","Chen, Yan; Ju, Tong","Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3).","Organic letters","2011","13","1","86","89","10.1021/ol102586w","","","0.71073","MoKα","","0.0389","0.0362","","","0.0877","0.0908","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501871","11.193","0.009","10.374","0.008","13.163","0.01","90","","106.797","0.007","90","","1463","2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H47 O6 -","- C28 H47 O6 -","- C56 H94 O12 -","2","1","","Zheng, Jiyue; Xie, Xingang; Zhao, Changgui; He, Yongping; Zheng, Huaiji; Yang, Zhen; She, Xuegong","Total synthesis of (-)-Przewalskin B.","Organic letters","2011","13","2","173","175","10.1021/ol102593r","","","0.71073","MoKα","","0.1091","0.0746","","","0.1964","0.2242","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501872","8.6429","0.0012","27.752","0.004","9.2865","0.0014","90","","107.44","0.004","90","","2125","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","- C100 H80 Cl4 N4 O16 -","4","2","","Zhong, Fangrui; Chen, Guo-Ying; Lu, Yixin","Enantioselective Morita-Baylis-Hillman reaction of isatins with acrylates: facile creation of 3-hydroxy-2-oxindoles.","Organic letters","2011","13","1","82","85","10.1021/ol102597s","","","0.71073","MoKα","","0.071","0.0592","","","0.131","0.1392","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501873","13.2577","0.0007","7.3889","0.0003","15.0467","0.0004","90","","105.525","0.003","90","","1420.19","0.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","","Tsui, Gavin Chit; Glenadel, Quentin; Lau, Chan; Lautens, Mark","Rhodium(I)-catalyzed addition of arylboronic acids to (benzyl-/arylsulfonyl)acetonitriles: efficient synthesis of (Z)-β-sulfonylvinylamines and β-keto sulfones.","Organic letters","2011","13","2","208","211","10.1021/ol102598p","","","0.71073","MoKα","","0.11","0.0581","","","0.14","0.1804","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501874","9.6221","0.0003","8.9558","0.0004","21.2803","0.001","90","","100.385","0.003","90","","1803.76","0.13","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C84 H76 N4 O12 S4 -","4","1","","Tsui, Gavin Chit; Glenadel, Quentin; Lau, Chan; Lautens, Mark","Rhodium(I)-catalyzed addition of arylboronic acids to (benzyl-/arylsulfonyl)acetonitriles: efficient synthesis of (Z)-β-sulfonylvinylamines and β-keto sulfones.","Organic letters","2011","13","2","208","211","10.1021/ol102598p","","","0.71073","MoKα","","0.144","0.0629","","","0.1471","0.1909","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501875","15.223","0.0007","9.7311","0.0004","11.8244","0.0011","90","","93.537","0.003","90","","1748.3","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Chai, David I.; Hoffmeister, Laura; Lautens, Mark","Synthesis of 2-oxazolones and α-aminoketones via palladium-catalyzed reaction of β,β-dibromoenamides.","Organic letters","2011","13","1","106","109","10.1021/ol102634c","","","0.71073","MoKα","","0.1478","0.0579","","","0.1293","0.172","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501876","7.5957","0.0013","11.494","0.002","21.526","0.004","90","","90","","90","","1879.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C84 H80 Br4 N4 O16 -","4","1","","Jin, Zhichao; Wang, Xiao; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing","Diastereo- and enantioselective synthesis of oxazine and oxazolidine derivatives with a chiral quaternary carbon center under multifunctional catalysis.","Organic letters","2011","13","4","564","567","10.1021/ol102643a","","","0.71073","MoKα","","0.0879","0.0449","","","0.0897","0.0966","","","","","","0.811","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501877","9.9664","0.0013","7.268","0.001","19.153","0.003","90","","99.713","0.002","90","","1367.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F O3 S -","- C15 H13 F O3 S -","- C60 H52 F4 O12 S4 -","4","1","","Zhang, He; Zhou, Chang-Bing; Chen, Qing-Yun; Xiao, Ji-Chang; Hong, Ran","Monofluorovinyl tosylate: a useful building block for the synthesis of terminal vinyl monofluorides via Suzuki-Miyaura coupling.","Organic letters","2011","13","4","560","563","10.1021/ol102645g","","","0.71073","MoKα","","0.0578","0.043","","","0.1075","0.1118","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501878","9.5322","0.0003","10.3847","0.0003","12.3527","0.0003","84.4292","0.0003","72.2128","0.0003","66.9269","0.0003","1070.83","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C52 H50 N6 O2 -","2","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0411","0.0386","","","0.1032","0.1054","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501879","16.7182","0.0013","15.0048","0.0012","9.8096","0.0008","90","","102.86","0.0008","90","","2399","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H29 N3 O3 -","- C28 H29 N3 O3 -","- C112 H116 N12 O12 -","4","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0291","0.028","","","0.0756","0.0765","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501880","8.3049","0.0004","9.498","0.0004","15.5636","0.0007","99.4404","0.0005","99.1386","0.0005","107.537","0.0005","1126.09","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C56 H58 N2 O4 -","2","1","","Scadeng, Owen; Ferguson, Michael J.; West, F. G.","Intermolecular [3 + 3]-cycloadditions of azides with the Nazarov intermediate.","Organic letters","2011","13","1","114","117","10.1021/ol102651k","","","0.71073","MoKα","","0.0501","0.04","","","0.1013","0.1084","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501881","18.5834","0.0007","25.3538","0.0009","32.657","0.0012","90","","90","","90","","15386.7","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C744 H648 N72 O72 -","24","3","","Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D.","Guest-accelerated molecular rotor.","Organic letters","2011","13","2","244","247","10.1021/ol102659n","","","0.71073","MoKα","","0.06","0.0365","","","0.073","0.0804","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501882","15.1705","0.0012","20.6845","0.0016","17.4086","0.0013","90","","110.54","0.002","90","","5115.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C248 H216 N24 O24 -","8","2","","Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D.","Guest-accelerated molecular rotor.","Organic letters","2011","13","2","244","247","10.1021/ol102659n","","","0.71073","MoKα","","0.1279","0.0823","","","0.1989","0.2227","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501883","11.2541","0.0015","9.5009","0.0013","8.4762","0.0011","90","","103.936","0.003","90","","879.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 F2 -","- C26 H16 F2 -","- C52 H32 F4 -","2","0.5","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; Muldoon, Jimmy; McGlinchey, Michael J.","Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled.","Organic letters","2011","13","2","256","259","10.1021/ol102665y","","","0.71073","MoKα","","0.0437","0.0391","","","0.0992","0.1018","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501884","11.4349","0.0001","12.9659","0.0002","16.4853","0.0003","74.056","0.002","86.58","0.001","85.989","0.001","2342.31","0.06","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C66.86 H47.72 -","- C66.858 H47.716 -","- C133.716 H95.432 -","2","1","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; Muldoon, Jimmy; McGlinchey, Michael J.","Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled.","Organic letters","2011","13","2","256","259","10.1021/ol102665y","","","1.54184","CuKα","","0.0523","0.0488","","","0.1434","0.1464","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501885","11.5233","0.0005","12.968","0.0005","13.3977","0.0005","101.394","0.002","94.514","0.002","99.229","0.002","1924.56","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H37 N5 Ni O2 -","- C51 H37 N5 Ni O2 -","- C102 H74 N10 Ni2 O4 -","2","1","","Carvalho, Carla M. B.; Neves, Maria G. P. M. S.; Tomé, Augusto C; Paz, Filipe A Almeida; Silva, Artur M. S.; Cavaleiro, José A S","1,3-Dioxopyrrolo[3,4-b]porphyrins: synthesis and chemistry.","Organic letters","2011","13","1","130","133","10.1021/ol102691s","","","0.71073","MoKα","","0.0659","0.0413","","","0.1086","0.1208","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501886","8.108","0.0001","11.4326","0.0002","14.8333","0.0003","101.495","0.001","92.42","0.001","94.486","0.001","1340.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N4 O5 S2 -","- C29 H22 N4 O5 S2 -","- C58 H44 N8 O10 S4 -","2","1","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.0356","0.033","","","0.082","0.0845","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501887","11.2893","0.001","11.9604","0.0017","12.11","0.0012","84.75","0.008","84.635","0.006","76.004","0.008","1575.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N4 O5 -","- C38 H24 N4 O5 -","- C76 H48 N8 O10 -","2","1","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.1007","0.0842","","","0.1718","0.1784","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501888","23.242","0.002","7.8358","0.0007","30.029","0.003","90","","92.897","0.003","90","","5461.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N8 O10 S4 -","- C58 H44 N8 O10 S4 -","- C232 H176 N32 O40 S16 -","4","0.5","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.0998","0.0674","","","0.1592","0.1712","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501889","15.0733","0.0013","19.7051","0.0016","14.1933","0.0011","90","","104.311","0.003","90","","4084.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H32 N6 O7 S -","- C49 H32 N6 O7 S -","- C196 H128 N24 O28 S4 -","4","1","","Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures.","Organic letters","2011","13","1","126","129","10.1021/ol1026969","","","1.54178","CuKα","","0.1195","0.0753","","","0.1696","0.1875","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501890","11.864","0.004","8.768","0.003","18.696","0.006","90","","96.548","0.005","90","","1932.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Yao, Zhong-Ke; Li, Jianjun; Yu, Zhi-Xiang","Rh-catalyzed [7 + 1] cycloaddition of buta-1,3-dienylcyclopropanes and CO for the synthesis of cyclooctadienones.","Organic letters","2011","13","1","134","137","10.1021/ol102700m","","","0.71073","MoKα","","0.0664","0.0609","","","0.1297","0.1329","","","","","","1.187","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501891","14.854","0.005","10.059","0.003","22.557","0.007","90","","110.26","0.005","90","","3161.9","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N4 O6 -","- C35 H36 N4 O6 -","- C140 H144 N16 O24 -","4","1","","Yao, Zhong-Ke; Li, Jianjun; Yu, Zhi-Xiang","Rh-catalyzed [7 + 1] cycloaddition of buta-1,3-dienylcyclopropanes and CO for the synthesis of cyclooctadienones.","Organic letters","2011","13","1","134","137","10.1021/ol102700m","","","0.71073","MoKα","","0.1032","0.0986","","","0.1671","0.169","","","","","","1.366","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501892","10.2168","0.0005","15.2722","0.0007","16.1196","0.0007","90","","100.054","0.0006","90","","2476.6","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 N2 O3 S Si -","- C25 H36 N2 O3 S Si -","- C100 H144 N8 O12 S4 Si4 -","4","1","","Martin, Connor L.; Nakamura, Seiichi; Otte, Ralf; Overman, Larry E.","Total synthesis of (+)-condylocarpine, (+)-isocondylocarpine, and (+)-tubotaiwine.","Organic letters","2011","13","1","138","141","10.1021/ol102709s","","","0.71073","MoKα","","0.0414","0.0349","","","0.0903","0.0951","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501893","8.3797","0.0004","14.5146","0.0007","12.1909","0.0006","90","","102.819","0.0005","90","","1445.8","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Martin, Connor L.; Nakamura, Seiichi; Otte, Ralf; Overman, Larry E.","Total synthesis of (+)-condylocarpine, (+)-isocondylocarpine, and (+)-tubotaiwine.","Organic letters","2011","13","1","138","141","10.1021/ol102709s","","","0.71073","MoKα","","0.0437","0.0408","","","0.109","0.1121","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501894","8.007","0.0002","15.022","0.0006","17.487","0.0007","90","","90","","90","","2103.36","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 O3 S -","- C25 H20 N2 O3 S -","- C100 H80 N8 O12 S4 -","4","1","","Barroso, Santiago; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Highly enantioselective nitrone cycloadditions with 2-alkenoyl pyridine N-oxides catalyzed by Cu(II)-BOX complexes.","Organic letters","2011","13","3","402","405","10.1021/ol102716e","","","0.71073","MoKα","","0.0722","0.05","","","0.1409","0.1678","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501895","14.697","0.0014","14.329","0.0013","14.303","0.0013","90","","104.267","0.004","90","","2919.2","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cl O5 -","- C31 H35 Cl O5 -","- C124 H140 Cl4 O20 -","4","1","","Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie","Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones.","Organic letters","2011","13","4","580","583","10.1021/ol102738b","","","0.71075","MoKα","","0.0785","0.0554","","","0.1124","0.1218","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501896","11.6425","0.0019","22.489","0.004","11.6436","0.0018","90","","93.811","0.004","90","","3041.9","0.9","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N2 O8 -","- C36 H30 N2 O8 -","- C144 H120 N8 O32 -","4","1","","Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie","Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones.","Organic letters","2011","13","4","580","583","10.1021/ol102738b","","","0.71073","MoKα","","0.0441","0.0381","","","0.0932","0.0975","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501897","16.398","0.003","7.6279","0.0014","13.045","0.002","90","","99.836","0.004","90","","1607.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.1268","0.0581","","","0.0917","0.1377","","","","","","0.859","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501898","7.9594","0.0008","11.7961","0.0011","17.4102","0.0016","90","","98.137","0.002","90","","1618.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.0649","0.0398","","","0.0721","0.0775","","","","","","0.889","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501899","9.0491","0.0018","18.07","0.004","9.4597","0.0019","90","","94.301","0.004","90","","1542.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F N2 O -","- C18 H19 F N2 O -","- C72 H76 F4 N8 O4 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.0799","0.0508","","","0.1045","0.1142","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501900","14.655","0.008","11.644","0.005","14.194","0.006","90","","115.844","0.015","90","","2179.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl N2 O2 -","- C25 H25 Cl N2 O2 -","- C100 H100 Cl4 N8 O8 -","4","1","","Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan","Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).","Organic letters","2011","13","2","296","299","10.1021/ol1027442","","","0.71073","MoKα","","0.0845","0.0582","","","0.1389","0.1479","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501901","23.245","0.005","11.539","0.003","12.288","0.002","90","","90","","90","","3295.9","1.2","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H42 B N -","- C42 H42 B N -","- C168 H168 B4 N4 -","4","1","","Hudson, Zachary M.; Liu, Xiang-Yang; Wang, Suning","Switchable Three-State Fluorescence of a Nonconjugated Donor‒Acceptor Triarylborane","Organic Letters","2011","13","2","300","303","10.1021/ol102749y","","","0.71073","MoKα","","0.263","0.0588","","","0.0858","0.1224","","","","","","0.703","","","","has coordinates","210333","2020-10-21","18:00:00",""
"1501902","4.9317","0.0001","8.7095","0.0002","16.1625","0.0004","74.714","0.001","85.557","0.001","77.087","0.001","652.6","0.03","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","5,5'-Dioctyl-[3,3']bi[thieno[3,4-c]pyrrolyl]-4,6,4',6'-tetraone","","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","- C28 H36 N2 O4 S2 -","1","0.5","","Berrouard, Philippe; Grenier, François; Pouliot, Jean-Rémi; Gagnon, Eric; Tessier, Christian; Leclerc, Mario","Synthesis and characterization of 5-octylthieno[3,4-c]pyrrole-4,6-dione derivatives as new monomers for conjugated copolymers.","Organic letters","2011","13","1","38","41","10.1021/ol1027514","","","1.54178","CuKα","","0.0319","0.0316","","","0.0865","0.0868","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501903","6.9848","0.0008","17.225","0.0019","17.991","0.002","71.97","0.001","84.512","0.001","78.304","0.001","2014.3","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H37 Br2 Cl3 N4 O4 S3 -","- C35 H37 Br2 Cl3 N4 O4 S3 -","- C70 H74 Br4 Cl6 N8 O8 S6 -","2","1","","Berrouard, Philippe; Grenier, François; Pouliot, Jean-Rémi; Gagnon, Eric; Tessier, Christian; Leclerc, Mario","Synthesis and characterization of 5-octylthieno[3,4-c]pyrrole-4,6-dione derivatives as new monomers for conjugated copolymers.","Organic letters","2011","13","1","38","41","10.1021/ol1027514","","","0.71073","MoKα","","0.0771","0.0481","","","0.109","0.119","","","","","","1.279","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501904","10.3366","0.0001","10.93","0.0001","23.5701","0.0003","90","","90","","90","","2662.93","0.05","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O10 -","- C28 H38 O10 -","- C112 H152 O40 -","4","1","","Lin, Yu-Chi; Lo, I-Wen; Chen, Shun-Ying; Lin, Pi-Han; Chien, Ching-Te; Chang, Sui-yuan; Shen, Ya-Ching","Schinarisanlactone A, a new bisnortriterpenoid from Schisandra arisanensis.","Organic letters","2011","13","3","446","449","10.1021/ol102772j","","","1.54178","CuKα","","0.0591","0.0523","","","0.1432","0.1484","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501905","9.146","0.004","10.974","0.004","24.749","0.01","90","","90.258","0.006","90","","2484","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N3 O6 S -","- C26 H25 N3 O6 S -","- C104 H100 N12 O24 S4 -","4","1","","Chen, Zhiyuan; Zheng, Danqing; Wu, Jie","A facile route to polysubstituted indoles via three-component reaction of 2-ethynylaniline, sulfonyl azide, and nitroolefin.","Organic letters","2011","13","5","848","851","10.1021/ol102775s","","","0.71073","MoKα","","0.0851","0.0598","","","0.1745","0.1866","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501906","6.6653","0.0001","8.3058","0.0002","31.2578","0.0006","90","","92.539","0.001","90","","1728.75","0.06","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Clavier, Hervé; Le Jeune, Karel; de Riggi, Innocenzo; Tenaglia, Alphonse; Buono, Gérard","Highly selective cobalt-mediated [6 + 2] cycloaddition of cycloheptatriene and allenes.","Organic letters","2011","13","2","308","311","10.1021/ol102783x","","x-ray","0.71073","MoKα","","0.1198","0.0667","","","0.2233","0.2767","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501907","6.0676","0.0002","10.7264","0.0004","7.8745","0.0003","90","","104.958","0.002","90","","495.13","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H18 Cl N -","- C9 H18 Cl N -","- C18 H36 Cl2 N2 -","2","1","","Faraldos, Juan A.; Kariuki, Benson M.; Coates, Robert M.","2-azapinanes: aza analogues of the enantiomeric pinyl carbocation intermediates in pinene biosynthesis.","Organic letters","2011","13","5","836","839","10.1021/ol1027893","","","0.71073","MoKα","","0.0458","0.0387","","","0.0791","0.0836","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501908","9.74","0.002","10.58","0.002","13.367","0.003","87.975","0.008","87.647","0.008","88.54","0.008","1375","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","E-47209-EXP035","","","- C15 H7 Br Cl F3 N2 -","- C15 H7 Br Cl F3 N2 -","- C60 H28 Br4 Cl4 F12 N8 -","4","2","","Martin, Laetitia J.; Marzinzik, Andreas L.; Ley, Steven V.; Baxendale, Ian R.","Safe and reliable synthesis of diazoketones and quinoxalines in a continuous flow reactor.","Organic letters","2011","13","2","320","323","10.1021/ol1027927","","","1.54178","CuKα","","0.0453","0.0389","","","0.118","0.1531","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501909","11.083","0.001","12.964","0.001","14.977","0.001","90","","90","","90","","2151.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","1","","Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols.","Organic letters","2011","13","1","168","171","10.1021/ol102793a","","","0.71073","MoKα","","0.0512","0.0429","","","0.1104","0.1177","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501910","6.1374","0.0004","11.8458","0.0007","30.2363","0.0018","90","","90","","90","","2198.3","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O2 -","- C29 H26 O2 -","- C116 H104 O8 -","4","1","","Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols.","Organic letters","2011","13","1","168","171","10.1021/ol102793a","","","0.71073","MoKα","","0.047","0.0421","","","0.1089","0.1136","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501911","17.639","0.003","13.026","0.002","12.1899","0.0018","90","","122.269","0.009","90","","2368.2","0.7","294","2","294","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","Yang, Zhigang; Wang, Zhen; Bai, Sha; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric α-amination of 4-substituted pyrazolones catalyzed by a chiral Gd(OTf)3/N,N'-dioxide complex: highly enantioselective synthesis of 4-amino-5-pyrazolone derivatives.","Organic letters","2011","13","4","596","599","10.1021/ol102804p","","","1.54186","CuKα","","0.0697","0.0591","","","0.1262","0.1316","","","","","","1.166","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501912","8.1646","0.0003","5.2885","0.0002","16.1885","0.0006","90","","99.21","0.001","90","","689.98","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C34 H26 Cl2 O4 -","2","1","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.0239","0.0234","","","0.0632","0.0637","","","","","","1.078","","","","has coordinates","210332","2020-10-21","18:00:00",""
"1501913","10.2477","0.0005","10.6579","0.0005","11.7877","0.0006","97.636","0.001","99.784","0.001","117.355","0.001","1093.62","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O6 S -","- C23 H23 N O6 S -","- C46 H46 N2 O12 S2 -","2","1","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.0593","0.0578","","","0.1489","0.1517","","","","","","1.062","","","","has coordinates","210332","2020-10-21","18:00:00",""
"1501914","10.6114","0.0006","10.5287","0.0006","46.396","0.003","90","","98.255","0.002","90","","5129.9","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C272 H224 O32 -","16","4","","Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming","One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine","Organic Letters","2011","13","3","466","469","10.1021/ol102811x","","","0.71073","MoKα","","0.1132","0.0496","","","0.0934","0.1131","","","","","","0.999","","","","has coordinates","210332","2020-10-21","18:00:00",""
"1501915","17.827","0.004","11.746","0.002","11.045","0.002","90","","90","","90","","2312.8","0.8","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","1","","Cao, Jian; Yang, Xiongfa; Hua, Xilin; Deng, Yuan; Lai, Guoqiao","Synthesis of 2-azaanthracenes via a sequential Sonogashira coupling/alkynyl imine-allenyl imine isomerization/aza-Diels-Alder/elimination-aromatization reaction.","Organic letters","2011","13","3","478","481","10.1021/ol1028207","","","0.71073","MoKα","","0.0508","0.0383","","","0.1008","0.117","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501916","11.0997","0.0007","8.6383","0.0007","13.8782","0.0007","90","","91.386","0.004","90","","1330.29","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","D'Souza, Asha M; Spiccia, Nadia; Basutto, Jose; Jokisz, Pawel; Wong, Leon S.-M.; Meyer, Adam G.; Holmes, Andrew B.; White, Jonathan M.; Ryan, John H.","1,3-Dipolar cycloaddition-decarboxylation reactions of an azomethine ylide with isatoic anhydrides: formation of novel benzodiazepinones.","Organic letters","2011","13","3","486","489","10.1021/ol102824k","","","1.5418","CuKα","","0.0762","0.0499","","","0.1229","0.14","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501917","7.7205","0.0015","14.032","0.003","9.5919","0.0019","90","","104.39","0.03","90","","1006.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Cao, Weidi; Liu, Xiaohua; Wang, Wentao; Lin, Lili; Feng, Xiaoming","Highly enantioselective synthesis of tetrahydroquinolines via cobalt(II)-catalyzed tandem 1,5-hydride transfer/cyclization.","Organic letters","2011","13","4","600","603","10.1021/ol1028282","","","1.54178","CuKα","","0.0501","0.0428","","","0.1003","0.1063","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501918","12.7494","0.0007","16.1119","0.0008","21.2918","0.0011","90","","101.332","0.0018","90","","4288.4","0.4","296","","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N4 O4 -","- C44 H60 N4 O4 -","- C176 H240 N16 O16 -","4","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Ishibashi, Koichi; Matsui, Kazuhiro; Takahashi, Hiroki; Miyata, Kazuyuki; Takahashi, Daisuke; Tamura, Rui","Spontaneous and selective CO2 sorption under ambient conditions in seemingly nonporous molecular crystal of azacalix[5]arene pentamethyl ether.","Organic letters","2011","13","3","490","493","10.1021/ol102829h","","","0.71075","MoKα","","0.1252","0.0631","","","0.1563","0.2083","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501919","17.115","","13.105","","26.8951","","90","","109.374","","90","","5690.76","","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H75 N5 O5 -","- C55 H75 N5 O5 -","- C220 H300 N20 O20 -","4","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Ishibashi, Koichi; Matsui, Kazuhiro; Takahashi, Hiroki; Miyata, Kazuyuki; Takahashi, Daisuke; Tamura, Rui","Spontaneous and selective CO2 sorption under ambient conditions in seemingly nonporous molecular crystal of azacalix[5]arene pentamethyl ether.","Organic letters","2011","13","3","490","493","10.1021/ol102829h","","","1.0024","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501920","8.208","0.0003","14.4061","0.0005","10.6072","0.0004","90","","109.691","0.001","90","","1180.91","0.07","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 -","- C26 H25 Br N2 O6 -","- C52 H50 Br2 N4 O12 -","2","1","","Lee, Jihoon; Panek, James S.","Total synthesis of (+)-isatisine A.","Organic letters","2011","13","3","502","505","10.1021/ol102848w","","","1.54178","CuKα","","0.025","0.0249","","","0.0763","0.0766","","","","","","0.769","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501921","10.3024","0.0005","16.7569","0.0006","13.4574","0.0006","90","","94.5651","0.0012","90","","2315.87","0.17","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Cl Cu N3 -","- C23 H29 Cl Cu N3 -","- C92 H116 Cl4 Cu4 N12 -","4","1","","Nakamura, Tatsuhito; Terashima, Takahiro; Ogata, Kenichi; Fukuzawa, Shin-ichi","Copper(I) 1,2,3-triazol-5-ylidene complexes as efficient catalysts for click reactions of azides with alkynes.","Organic letters","2011","13","4","620","623","10.1021/ol102858u","","","0.71075","MoKα","","","0.0655","","","","0.2407","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501922","9.2851","0.0009","18.4728","0.0017","16.5041","0.0019","90","","113.808","0.008","90","","2589.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F -","- C18 H13 F -","- C144 H104 F8 -","8","2","","Yao, Bangben; Li, Yong; Liang, Zunjun; Zhang, Yuhong","Ni-catalyzed intramolecular cycloaddition of methylenecyclopropanes to alkynes.","Organic letters","2011","13","4","640","643","10.1021/ol1028628","","","0.71073","MoKα","","0.1283","0.0388","","","0.0389","0.0419","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501923","14.2979","0.0002","14.5398","0.0002","15.7308","0.0003","71.49","0.001","87.882","0.001","65.423","0.001","2802.94","0.08","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C128 H112 Na2 O16 P2 Si4 -","- C128 H112 Na2 O16 P2 Si4 -","- C128 H112 Na2 O16 P2 Si4 -","1","1","","Hennecke, Ulrich; Müller, Christian H; Fröhlich, Roland","Enantioselective haloetherification by asymmetric opening of meso-halonium ions.","Organic letters","2011","13","5","860","863","10.1021/ol1028805","","","0.71073","MoKα","","0.085","0.0721","","","0.1633","0.1767","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501924","6.764","0.003","4.4614","0.0019","29.113","0.012","90","","90.547","0.005","90","","878.5","0.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Hydoxy-2-methylphenacyl)-2-oxoethyl Formate","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Šebej, Peter; Lim, Bum Hee; Park, Bong Ser; Givens, Richard S.; Klán, Petr","The power of solvent in altering the course of photorearrangements.","Organic letters","2011","13","4","644","647","10.1021/ol102887f","","","0.71073","MoKα","","0.0976","0.0881","","","0.2214","0.2318","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501925","9.3644","0.0001","11.7016","0.0002","9.7246","0.0001","90","","99.3685","0.0007","90","","1051.39","0.02","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Michaelides, Iacovos N.; Darses, Benjamin; Dixon, Darren J.","Acid-catalyzed synthesis of bicyclo[3.n.1]alkenediones.","Organic letters","2011","13","4","664","667","10.1021/ol102909t","","","0.71073","MoKα","","0.0543","0.0416","","0.0972","0.0927","0.0972","","","","","","0.9434","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501926","28.7109","0.001","6.0157","0.0002","20.2899","0.0009","90","","120.169","0.004","90","","3029.7","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 I2 O -","- C16 H12 I2 O -","- C128 H96 I16 O8 -","8","1","","Zhu, Hai-Tao; Ji, Ke-Gong; Yang, Fang; Wang, Li-Jing; Zhao, Shu-Chun; Ali, Shaukat; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic carbocyclization of aryl propargylic alcohols: a facile synthesis of diiodinated carbocycles and heterocycles.","Organic letters","2011","13","4","684","687","10.1021/ol1029194","","","0.71073","MoKα","","0.0462","0.0304","","","0.0624","0.0684","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501927","11.4787","0.0009","9.9688","0.0008","24.0837","0.0018","90","","90.213","0.001","90","","2755.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N O8 -","- C33 H25 N O8 -","- C132 H100 N4 O32 -","4","1","","Zhao, Wanxiang; Zhang, Junliang","Rhodium-catalyzed tandem heterocyclization and carbonylative [(3+2)+1] cyclization of diyne-enones.","Organic letters","2011","13","4","688","691","10.1021/ol102920f","","","0.71073","MoKα","","0.067","0.0414","","","0.1009","0.1172","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501928","9.6288","0.0004","10.5846","0.0004","11.482","0.0004","75.515","0.001","80.586","0.001","83.926","0.001","1115.17","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O7 -","- C27 H22 O7 -","- C54 H44 O14 -","2","1","","Zhao, Wanxiang; Zhang, Junliang","Rhodium-catalyzed tandem heterocyclization and carbonylative [(3+2)+1] cyclization of diyne-enones.","Organic letters","2011","13","4","688","691","10.1021/ol102920f","","","0.71073","MoKα","","0.0484","0.0401","","","0.1053","0.1146","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501929","15.7461","0.0003","15.7461","0.0003","11.9364","0.0002","90","","90","","120","","2563.01","0.08","193","2","193","2","","","","","","","","4","P 31","P 31","144","","(R)-5,5'-Bis(diphenylphosphinoyl)-1,3,6,8,1',3',6',8'-octahydro- [4,4']bi[2,7-dioxaasindacenyl]","","- C44 H36 O6 P2 -","- C44 H36 O6 P2 -","- C132 H108 O18 P6 -","3","1","","Mori, Fumiya; Fukawa, Naohiro; Noguchi, Keiichi; Tanaka, Ken","Asymmetric synthesis of axially chiral biaryl diphosphine ligands by rhodium-catalyzed enantioselective intramolecular double [2 + 2 + 2] cycloaddition.","Organic letters","2011","13","3","362","365","10.1021/ol102927y","","","1.54187","CuKα","","0.0312","0.0306","","","0.0821","0.0826","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501930","8.98499","0.00016","16.8485","0.0003","23.4132","0.0004","90","","90","","90","","3544.37","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-5,5'-Bis(diphenylphosphanyl)-1,3,6,8,1',3',6',8'-octahydro- [4,4']bi[2,7-dioxaasindacenyl]","","- C44 H36 O4 P2 -","- C44 H36 O4 P2 -","- C176 H144 O16 P8 -","4","1","","Mori, Fumiya; Fukawa, Naohiro; Noguchi, Keiichi; Tanaka, Ken","Asymmetric synthesis of axially chiral biaryl diphosphine ligands by rhodium-catalyzed enantioselective intramolecular double [2 + 2 + 2] cycloaddition.","Organic letters","2011","13","3","362","365","10.1021/ol102927y","","","1.54187","CuKα","","0.0322","0.0319","","","0.0822","0.0826","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501931","5.6626","0.0002","9.637","0.0003","18.9453","0.0007","90","","94.067","0.002","90","","1031.25","0.06","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C44 H36 Cl4 N8 O8 -","4","1","","Zhou, Quan; Snider, Barry B.","Synthesis of phantasmidine.","Organic letters","2011","13","3","526","529","10.1021/ol102929m","","","0.71073","MoKα","","0.0317","0.0306","","0.0817","0.0774","0.0817","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501932","7.6713","0.0004","10.9248","0.0004","11.8599","0.0005","90","","99.368","0.003","90","","980.69","0.08","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C48 H44 N4 O8 -","2","1","","Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng","A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones.","Organic letters","2011","13","5","876","879","10.1021/ol102933q","","","0.71073","MoKα","","0.0542","0.0455","","","0.1083","0.1206","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501933","8.3787","0.0017","10.986","0.002","20.823","0.004","90","","94.556","0.007","90","","1910.7","0.6","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 O5 S2 -","- C19 H24 O5 S2 -","- C76 H96 O20 S8 -","4","2","","Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng","A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones.","Organic letters","2011","13","5","876","879","10.1021/ol102933q","","","0.71073","MoKα","","0.2896","0.0905","","","0.1734","0.2884","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501934","8.036","0.003","12.408","0.004","12.444","0.004","90","","99.191","0.005","90","","1224.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 -","- C17 H12 N2 -","- C68 H48 N8 -","4","1","","Li, Shaoyu; Wu, Jie","Synthesis of H-pyrazolo[5,1-a]isoquinolines via copper(II)-catalyzed oxidation of an aliphatic C-H bond of tertiary amine in air.","Organic letters","2011","13","4","712","715","10.1021/ol102939r","","","0.71073","MoKα","","0.0563","0.0426","","","0.1147","0.1234","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501935","7.659","0.003","14.452","0.005","26.66","0.009","90","","90","","90","","2950.9","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 -","- C19 H15 Cl N2 -","- C152 H120 Cl8 N16 -","8","2","","Li, Shaoyu; Wu, Jie","Synthesis of H-pyrazolo[5,1-a]isoquinolines via copper(II)-catalyzed oxidation of an aliphatic C-H bond of tertiary amine in air.","Organic letters","2011","13","4","712","715","10.1021/ol102939r","","","0.71073","MoKα","","0.0765","0.0598","","","0.117","0.1253","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501936","8.2302","0.0003","8.2837","0.0003","13.1837","0.0004","79.9846","0.0004","82.2194","0.0004","77.7988","0.0004","860.57","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C42 H52 O8 -","2","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0447","0.0418","","","0.1105","0.1138","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501937","12.2754","0.0013","17.8152","0.0018","9.485","0.001","90","","100.204","0.0012","90","","2041.5","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O6 -","- C24 H28 O6 -","- C96 H112 O24 -","4","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0693","0.0485","","","0.1146","0.1291","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501938","12.6475","0.0005","11.3248","0.0004","14.4129","0.0005","90","","90","","90","","2064.37","0.13","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 O6 -","- C24 H28 O6 -","- C96 H112 O24 -","4","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0359","0.0353","","","0.0994","0.1002","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501939","6.2","0.003","11.695","0.006","15.337","0.007","90","","91.527","0.007","90","","1111.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Chen, Zhi-Hua; Tu, Yong-Qiang; Zhang, Shu-Yu; Zhang, Fu-Min","Development of the intramolecular Prins cyclization/Schmidt reaction for the construction of the azaspiro[4,4]nonane: application to the formal synthesis of (±)-stemonamine.","Organic letters","2011","13","4","724","727","10.1021/ol102955e","","","0.71073","MoKα","","0.2436","0.1223","","","0.2702","0.3353","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501940","10.7883","0.0005","11.9051","0.0007","12.1487","0.0006","105.439","0.003","94.654","0.003","109.697","0.003","1390.7","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 Cl2 O8 -","- C28 H32 Cl2 O8 -","- C56 H64 Cl4 O16 -","2","1","","Hackeloer, Kristina; Schnakenburg, Gregor; Waldvogel, Siegfried R.","Novel domino oxidative coupling: C-C bond formation sequence to highly functionalized dibenzo[a,c]cycloheptenes.","Organic letters","2011","13","5","916","919","10.1021/ol102969k","","","0.71073","MoKα","","0.0724","0.046","","","0.1193","0.1298","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501941","11.3375","0.0008","11.6675","0.0007","11.8998","0.0008","100.468","0.003","109.907","0.003","106.463","0.004","1350.14","0.17","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 O8 -","- C31 H32 O8 -","- C62 H64 O16 -","2","1","","Hackeloer, Kristina; Schnakenburg, Gregor; Waldvogel, Siegfried R.","Novel domino oxidative coupling: C-C bond formation sequence to highly functionalized dibenzo[a,c]cycloheptenes.","Organic letters","2011","13","5","916","919","10.1021/ol102969k","","","0.71073","MoKα","","0.0862","0.0457","","","0.1049","0.1175","","","","","","0.928","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501942","9.4752","0.0003","7.9303","0.0003","12.82","0.0005","90","","102.782","0.001","90","","939.44","0.06","228","2","228","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Liu, Guixia; Zhang, Shilei; Li, Hao; Zhang, Tangzhi; Wang, Wei","Organocatalytic enantioselective Friedel-crafts reactions of 1-naphthols with aldimines.","Organic letters","2011","13","5","828","831","10.1021/ol102987n","","","0.71073","MoKα","","0.0397","0.0359","","","0.0947","0.0981","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501943","17.959","0.002","17.959","0.002","7.9998","0.0005","90","","90","","120","","2234.5","0.4","150","1","150","1","","","","","","","","2","P 63","P 6c","173","","","","- C20 H20 -","- C20 H20 -","- C120 H120 -","6","1","","Krämer, Katja; Leong, Paul; Lautens, Mark","Enantioselective palladium-catalyzed carbozincation of cyclopropenes.","Organic letters","2011","13","4","819","821","10.1021/ol1029904","","","0.71073","MoKα","","0.1498","0.0722","","","0.1556","0.1929","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501944","42.662","0.005","9.5733","0.0006","33.755","0.004","90","","125.507","0.017","90","","11222","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N O3 P -","- C32 H32 N O3 P -","- C512 H512 N16 O48 P16 -","16","2","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of Allenephosphoramide and Its Utility in the Preparation of 4,9-Dihydro-2H-benzo[f]isoindoles","Organic Letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.1245","0.0469","","","0.0965","0.1064","","","","","","0.842","","","","has coordinates","210335","2020-10-21","18:00:00",""
"1501945","8.0069","0.0003","15.2932","0.0007","22.1829","0.0011","90","","97.728","0.004","90","","2691.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N O3 P -","- C32 H32 N O3 P -","- C128 H128 N4 O12 P4 -","4","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.1193","0.0446","","","0.091","0.1012","","","","","","0.795","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501946","18.5397","0.0008","15.0248","0.0006","17.6084","0.0008","90","","103.518","0.005","90","","4769","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H54 N O6 P -","- C57 H54 N O6 P -","- C228 H216 N4 O24 P4 -","4","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.0756","0.0449","","","0.0988","0.1062","","","","","","0.898","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1501947","9.8093","0.0008","12.2537","0.0007","12.4626","0.0009","88.876","0.005","76.621","0.006","82.373","0.006","1444.36","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N O4 P -","- C32 H32 N O4 P -","- C64 H64 N2 O8 P2 -","2","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.1279","0.052","","","0.1227","0.1435","","","","","","0.876","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1501948","12.3332","0.0006","12.9665","0.0009","13.9933","0.0008","100.449","0.005","111.684","0.005","112.065","0.005","1789","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H37 N O -","- C49 H37 N O -","- C98 H74 N2 O2 -","2","1","","Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang","Preparation of allenephosphoramide and its utility in the preparation of 4,9-dihydro-2h-benzo[f]isoindoles.","Organic letters","2011","13","5","940","943","10.1021/ol102992n","","","0.71073","MoKα","","0.0917","0.0398","","","0.0826","0.0907","","","","","","0.816","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501949","5.93358","0.00011","17.3531","0.0004","18.7692","0.0014","90","","90","","90","","1932.59","0.16","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O2 S Si -","- C18 H25 N O2 S Si -","- C72 H100 N4 O8 S4 Si4 -","4","1","","Yazaki, Ryo; Kumagai, Naoya; Shibasaki, Masakatsu","Enantioselective synthesis of a GPR40 agonist AMG 837 via catalytic asymmetric conjugate addition of terminal alkyne to α,β-unsaturated thioamide.","Organic letters","2011","13","5","952","955","10.1021/ol102998w","","","1.54187","CuKα","","","0.0313","","","","0.0793","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501950","5.57254","0.0001","11.2226","0.0002","32.524","0.002","90","","90","","90","","2034","0.14","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Buesking, Andrew W.; Baguley, Tyler D.; Ellman, Jonathan A.","Asymmetric synthesis of amines by the Knochel-type MgCl2-enhanced addition of benzyl zinc reagents to N-tert-butanesulfinyl aldimines.","Organic letters","2011","13","5","964","967","10.1021/ol103002t","","","1.54187","CuKα","","","0.0691","","","","0.2016","","","","","","1.118","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501951","8.7454","0.0002","10.5113","0.0003","18.0667","0.0013","90","","90","","90","","1660.79","0.13","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F N O S -","- C16 H26 F N O S -","- C64 H104 F4 N4 O4 S4 -","4","1","","Buesking, Andrew W.; Baguley, Tyler D.; Ellman, Jonathan A.","Asymmetric synthesis of amines by the Knochel-type MgCl2-enhanced addition of benzyl zinc reagents to N-tert-butanesulfinyl aldimines.","Organic letters","2011","13","5","964","967","10.1021/ol103002t","","","1.54187","CuKα","","","0.0769","","","","0.2081","","","","","","1.12","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501952","9.2258","0.0003","12.5277","0.0003","16.8274","0.0005","90","","103.365","0.0017","90","","1892.21","0.1","173.1","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl3 N O4 -","- C19 H14 Cl3 N O4 -","- C76 H56 Cl12 N4 O16 -","4","1","","Takahashi, Hideyo; Wakamatsu, Shintaro; Tabata, Hidetsugu; Oshitari, Tetsuta; Harada, Ayako; Inoue, Keizo; Natsugari, Hideaki","Atropisomerism observed in indometacin derivatives.","Organic letters","2011","13","4","760","763","10.1021/ol103008d","","","1.54187","CuKα","","","0.043","","","","0.1089","","","","","","1.311","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501953","18.363","0.004","5.9771","0.0012","16.314","0.003","90","","94.61","0.03","90","","1784.8","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 S3 -","- C17.98 H7 N2 O4 S3 -","- C71.92 H28 N8 O16 S12 -","4","1","","Hong, Wei; Yuan, Haihong; Li, Hongxiang; Yang, Xiaodi; Gao, Xike; Zhu, Daoben","Linear fused dithieno[2,3-b:3'2'-d]thiophene diimides.","Organic letters","2011","13","6","1410","1413","10.1021/ol103013d","","","0.71073","MoKα","","0.0634","0.0578","","","0.175","0.1809","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501954","11.5628","0.001","8.5095","0.0007","18.608","0.0016","90","","91.064","0.002","90","","1830.6","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","2","","Hong, Bor-Cherng; Nimje, Roshan Y.; Lin, Cheng-Wei; Liao, Ju-Hsiou","Enantioselective organocatalytic Michael-Wittig-Michael-Michael reaction: dichotomous construction of pentasubstituted cyclopentanecarbaldehydes and pentasubstituted cyclohexanecarbaldehydes.","Organic letters","2011","13","6","1278","1281","10.1021/ol1030487","","","0.71073","MoKα","","0.0927","0.0699","","","0.1334","0.1439","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501955","8.191","0.0016","9.456","0.0019","10.496","0.002","95.84","0.03","99.81","0.03","110.54","0.03","738.6","0.3","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","1","","Guérot, Carine; Tchitchanov, Boris H.; Knust, Henner; Carreira, Erick M.","Synthesis of novel angular spirocyclic azetidines.","Organic letters","2011","13","4","780","783","10.1021/ol103050c","","","0.7","Synchrotron","","0.0576","0.0576","","","0.1464","0.1464","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501956","7.74","0.006","13.342","0.01","24.64","0.018","90","","90","","90","","2545","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br Cl2 N2 O3 -","- C25 H23 Br Cl2 N2 O3 -","- C100 H92 Br4 Cl8 N8 O12 -","4","1","","Jia, Zhen-Xin; Luo, Yong-Chun; Xu, Peng-Fei","Highly enantioselective synthesis of polysubstituted tetrahydroquinolines via organocatalytic Michael/Aza-Henry tandem reactions.","Organic letters","2011","13","5","832","835","10.1021/ol103069d","","","0.71073","MoKα","","0.1635","0.0498","","","0.1063","0.1426","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501957","11.192","0.005","18.427","0.005","18.549","0.006","90","","97.869","0.017","90","","3789","2","173.1","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 F6 N O3 P Ru -","- C42 H28 F6 N O3 P Ru -","- C168 H112 F24 N4 O12 P4 Ru4 -","4","1","","Kawatsura, Motoi; Yamamoto, Mitsuaki; Namioka, Junya; Kajita, Koji; Hirakawa, Takuya; Itoh, Toshiyuki","Ruthenium-catalyzed regioselective [2 + 2 + 2] cyclotrimerization of trifluoromethyl group substituted internal alkynes.","Organic letters","2011","13","5","1001","1003","10.1021/ol1030734","","","0.71075","MoKα","","","0.0474","","","","0.115","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501958","10.0605","0.0006","11.357","0.0006","11.6434","0.0007","76.252","0.005","68.044","0.006","75.371","0.005","1178.55","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 I N O2 S -","- C28 H22 I N O2 S -","- C56 H44 I2 N2 O4 S2 -","2","1","","Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.","Organic letters","2011","13","5","1024","1027","10.1021/ol103074d","","","0.71073","MoKα","","0.0581","0.0325","","","0.0496","0.0525","","","","","","0.853","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1501959","13.5075","0.0006","14.2341","0.0007","14.5006","0.0005","89.032","0.003","85.245","0.003","72.767","0.004","2653.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cl I N O3 S -","- C29 H23 Cl I N O3 S -","- C116 H92 Cl4 I4 N4 O12 S4 -","4","2","","Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.","Organic letters","2011","13","5","1024","1027","10.1021/ol103074d","","","0.71073","MoKα","","0.066","0.0375","","","0.0732","0.0876","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501960","9.2913","0.0004","29.4694","0.0015","8.8308","0.0004","90","","92.515","0.004","90","","2415.62","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 I N O2 S -","- C28 H22 I N O2 S -","- C112 H88 I4 N4 O8 S4 -","4","1","","Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.","Organic letters","2011","13","5","1024","1027","10.1021/ol103074d","","","0.71073","MoKα","","0.0631","0.034","","","0.0679","0.0726","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501961","9.3961","0.0002","9.469","0.0002","10.2833","0.0002","68.3797","0.001","81.4469","0.0009","62.3658","0.001","753.26","0.03","150","","150","","","","","","","","Synthetic","3","P -1","-P 1","2","","","","- C20 H19 N -","- C20 H19 N -","- C40 H38 N2 -","2","1","","Donohoe, Timothy J.; Basutto, José A; Bower, John F.; Rathi, Akshat","Heteroaromatic synthesis via olefin cross-metathesis: entry to polysubstituted pyridines.","Organic letters","2011","13","5","1036","1039","10.1021/ol103088r","","","0.71073","MoKα","","0.061","0.0415","","0.1077","0.098","0.1077","","","","","","0.9195","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501962","9.6999","0.0003","13.5546","0.0005","13.8504","0.0006","90","","73.7676","0.0016","90","","1748.43","0.11","150","","150","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Donohoe, Timothy J.; Basutto, José A; Bower, John F.; Rathi, Akshat","Heteroaromatic synthesis via olefin cross-metathesis: entry to polysubstituted pyridines.","Organic letters","2011","13","5","1036","1039","10.1021/ol103088r","","","0.71073","MoKα","","0.087","0.0512","","0.1232","0.11","0.123","","","","","","0.9462","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501963","8.3429","0.0002","8.7613","0.0003","9.7629","0.0003","96.9997","0.0019","101.396","0.0018","96.5153","0.0014","687.36","0.04","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C24 H35 I2 N O5 -","- C24 H35 I2 N O5 -","- C24 H35 I2 N O5 -","1","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.","Organic letters","2011","13","7","1594","1597","10.1021/ol103090z","","","0.71073","MoKα","","0.0255","0.0242","","0.0558","0.0546","0.0558","","","","","","1.0144","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501964","11.4404","0.0003","12.2759","0.0003","14.3996","0.0004","90","","90","","90","","2022.3","0.09","1","","1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 I2 N O5 -","- C16 H27 I2 N O5 -","- C64 H108 I8 N4 O20 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.","Organic letters","2011","13","7","1594","1597","10.1021/ol103090z","","","0.71073","MoKα","","0.0439","0.0377","","0.0898","0.0842","0.0898","","","","","","0.8829","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501965","13.5694","0.0005","17.621","0.0006","24.7835","0.0009","90","","101.814","0.001","90","","5800.4","0.4","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28.5 F3 I N3 O1.75 -","- C26 H21 F3 I N3 O -","- C208 H168 F24 I8 N24 O8 -","8","4","","Notte, Gregory T.; Baxter Vu, Jenny M.; Leighton, James L.","Highly enantioselective Mannich reactions with α-aryl silyl ketene acetals and imines.","Organic letters","2011","13","4","816","818","10.1021/ol103096u","","","0.71073","MoKα","","0.0618","0.042","","","0.0912","0.0979","","","","","","0.986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501966","12.2467","0.0002","7.47592","0.00013","17.7579","0.0003","90","","96.7267","0.0017","90","","1614.64","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","","Turner, Penelope A.; Griffin, Ellanna M.; Whatmore, Jacqueline L.; Shipman, Michael","Tetrahydroxanthones by sequential Pd-catalyzed C-O and C-C bond construction and use in the identification of the ""antiausterity"" pharmacophore of the kigamicins.","Organic letters","2011","13","5","1056","1059","10.1021/ol103103n","","","0.71073","MoKα","","0.0692","0.0429","","","0.1019","0.1072","","","","","","0.926","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501967","13.1938","0.0007","6.3948","0.0003","13.5567","0.0007","90","","110.214","0.004","90","","1073.35","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 N O2 -","- C26 H28 N O2 -","- C52 H56 N2 O4 -","2","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","1.54178","CuKα","","0.0602","0.0521","","","0.1453","0.151","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501968","28.765","0.006","6.134","0.0012","25.888","0.005","90","","116.08","0.03","90","","4102.7","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C200 H216 N8 O16 -","8","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","0.69996","synchrotron","","0.0798","0.0643","","","0.173","0.1844","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501969","10.9327","0.0005","19.6472","0.0009","27.9312","0.0012","90","","90","","90","","5999.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H38 Cl N O2 -","- C35 H38 Cl N O2 -","- C280 H304 Cl8 N8 O16 -","8","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","1.54178","CuKα","","0.1328","0.0524","","","0.0901","0.1139","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501970","18.0088","0.0008","8.1117","0.0003","18.6667","0.0009","90","","113.387","0.005","90","","2502.8","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O8 -","- C29 H28 O8 -","- C116 H112 O32 -","4","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0808","0.049","","","0.1247","0.1338","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501971","10.3923","0.0008","10.6376","0.0008","15.6535","0.0014","90","","90","","90","","1730.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 B O6 -","- C17 H23 B O6 -","- C68 H92 B4 O24 -","4","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0896","0.044","","","0.085","0.0922","","","","","","0.803","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501972","7.8896","0.0003","9.0992","0.0003","9.4428","0.0004","88.983","0.003","84.074","0.003","83.609","0.003","670.06","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C30 H28 Br2 N2 O6 -","2","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0317","0.0256","","","0.0582","0.0588","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501973","8.8643","0.0009","11.8667","0.0012","10.0142","0.0011","90","","107.486","0.002","90","","1004.72","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Br N2 O6 -","- C20 H21 Br N2 O6 -","- C40 H42 Br2 N4 O12 -","2","1","","Wang, Xu-Fan; An, Jing; Zhang, Xiao-Xiao; Tan, Fen; Chen, Jia-Rong; Xiao, Wen-Jing","Catalytic asymmetric aza-Michael-Michael addition cascade: enantioselective synthesis of polysubstituted 4-aminobenzopyrans.","Organic letters","2011","13","4","808","811","10.1021/ol1031188","","","0.71073","MoKα","","0.0581","0.0492","","","0.1131","0.1165","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501974","20.2038","0.0013","5.1569","0.0003","18.62","0.0012","90","","114.023","0.001","90","","1771.96","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","","Deb, Indubhusan; Das, Deepankar; Seidel, Daniel","Redox isomerization via azomethine ylide intermediates: N-alkyl indoles from indolines and aldehydes.","Organic letters","2011","13","4","812","815","10.1021/ol1031359","","","0.71073","MoKα","","0.0238","0.0231","","","0.061","0.0614","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501975","15.8048","0.0003","8.9561","0.0002","18.1279","0.0003","90","","103.548","0.001","90","","2494.59","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O7 S -","- C28 H26 N2 O7 S -","- C112 H104 N8 O28 S4 -","4","1","","Kislukhin, Alexander A.; Higginson, Cody J.; Finn, M. G.","Aqueous-phase deactivation and intramolecular [2 + 2 + 2] cycloaddition of oxanorbornadiene esters.","Organic letters","2011","13","7","1832","1835","10.1021/ol103153f","","","0.71073","MoKα","","0.0596","0.0447","","","0.1418","0.1549","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501976","10.145","0.002","9.4248","0.0019","21.513","0.004","90","","100.57","0.03","90","","2022.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","","Chen, Xiang-Yu; Wen, Ming-Wei; Ye, Song; Wang, Zhi-Xiang","Unusual formal [4 + 2] cycloaddition of ethyl allenoate with arylidenoxindoles: synthesis of dihydropyran-fused indoles.","Organic letters","2011","13","5","1138","1141","10.1021/ol103165y","","","0.71073","MoKα","","0.0621","0.0531","","","0.1374","0.1504","","","","","","1.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501977","7.894","0.0009","5.7394","0.0006","13.2234","0.0014","90","","99.583","0.002","90","","590.75","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 S -","- C12 H16 O3 S -","- C24 H32 O6 S2 -","2","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0234","0.0231","","","0.0612","0.0615","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501978","6.8959","0.0012","9.5822","0.0016","10.2161","0.0017","90","","107.309","0.002","90","","644.49","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O3 S -","- C12 H15 Cl O3 S -","- C24 H30 Cl2 O6 S2 -","2","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0256","0.0252","","","0.0689","0.0695","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501979","15.176","0.002","9.6244","0.0015","8.8976","0.0014","90","","94.396","0.002","90","","1295.8","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 Cl O3 S -","- C12 H15 Cl O3 S -","- C48 H60 Cl4 O12 S4 -","4","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.0398","0.0394","","","0.1093","0.11","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501980","8.0356","0.0007","11.0921","0.001","17.5466","0.0016","90","","90","","90","","1564","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O5 -","- C15 H20 Cl N O5 -","- C60 H80 Cl4 N4 O20 -","4","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.03","0.0291","","","0.0777","0.0788","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501981","8.821","0.003","11.131","0.004","13.131","0.004","92.575","0.004","99.847","0.004","95.085","0.004","1262.9","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C70 H50 N2 -","2","1","","Luo, Yong; Pan, Xiaolin; Wu, Jie","Efficient Synthesis of 5H-Cyclopenta[c]quinoline Derivatives via Palladium-Catalyzed Domino Reactions of o-Alkynylhalobenzene with Amine","Organic Letters","2011","13","5","1150","1153","10.1021/ol103173v","","","0.71073","MoKα","","0.0902","0.0746","","","0.2025","0.2227","","","","","","1.018","","","","has coordinates","210334","2020-10-21","18:00:00",""
"1501982","8.9387","0.0015","9.9381","0.0016","14.389","0.002","92.115","0.003","99.658","0.003","95.354","0.003","1252.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C56 H58 N2 O14 -","2","1","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0878","0.0724","","","0.1996","0.2132","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501983","8.912","0.003","11.563","0.004","14.488","0.005","111.421","0.005","93.474","0.006","109.002","0.006","1286.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C56 H58 N2 O14 -","2","1","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0718","0.0616","","","0.1775","0.1883","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501984","12.648","0.0013","18.681","0.002","11.3502","0.0012","90","","103.573","0.002","90","","2606.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O7 -","- C28 H29 N O7 -","- C112 H116 N4 O28 -","4","1","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.1199","0.0726","","","0.1741","0.1967","","","","","","0.881","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501985","13.776","0.002","8.3633","0.0013","18.579","0.003","90","","96.626","0.002","90","","2126.2","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O7 -","- C22 H25 N O7 -","- C88 H100 N4 O28 -","4","2","","Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min","Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.","Organic letters","2011","13","5","1142","1145","10.1021/ol1031798","","","0.71073","MoKα","","0.0533","0.0518","","","0.1472","0.1495","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501986","25.595","0.006","9.572","0.002","25.369","0.006","90","","97.71","0.004","90","","6159","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 N6 O -","- C44 H26 N6 O -","- C352 H208 N48 O8 -","8","2","","Akhigbe, Joshua; Zeller, Matthias; Brückner, Christian","Quinoline-annulated porphyrins.","Organic letters","2011","13","6","1322","1325","10.1021/ol1031848","","","0.71073","MoKα","","0.1531","0.0692","","","0.1491","0.1786","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501987","5.8373","0.0004","18.1668","0.0013","21.7172","0.0015","90","","90","","90","","2303","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N2 O4 -","- C23 H27 Cl N2 O4 -","- C92 H108 Cl4 N8 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.0849","0.0556","","","0.1318","0.1464","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501988","5.8869","0.0004","12.4397","0.0009","30.019","0.002","90","","90","","90","","2198.3","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O4 -","- C23 H25 Br N2 O4 -","- C92 H100 Br4 N8 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.0524","0.035","","","0.0766","0.089","","","","","","0.966","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501989","5.6207","0.0004","21.3127","0.0015","37.844","0.003","90","","90","","90","","4533.4","0.6","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H30 N2 O5 -","- C24 H30.01 N2.01 O5.02 -","- C192 H240.08 N16.08 O40.16 -","8","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.1108","0.0732","","","0.1914","0.2187","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501990","12.6085","0.0017","5.7821","0.0008","15.108","0.002","90","","112.947","0.003","90","","1014.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10.5 Br0.5 N O2 -","- C10 H10.5 Br0.5 N O2 -","- C40 H42 Br2 N4 O8 -","4","2","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.1166","0.0713","","","0.1695","0.2014","","","","","","1.064","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1501991","17.8049","0.0008","8.5396","0.0003","10.293","0.0005","90","","104.004","0.005","90","","1518.5","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Si2 -","- C36 H34 Si2 -","- C72 H68 Si4 -","2","0.5","","Gessner, Viktoria H.; Tilley, T. Don","Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload.","Organic letters","2011","13","5","1154","1157","10.1021/ol2000099","","","0.71073","MoKα","","0.0532","0.0352","","","0.0828","0.0855","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501992","78.14","0.04","11.995","0.006","25.629","0.012","90","","104.904","0.008","90","","23214","2","149","2","149","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C108 H108 Si6 -","- C108 H108 Si6 -","- C864 H864 Si48 -","8","1","","Gessner, Viktoria H.; Tilley, T. Don","Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload.","Organic letters","2011","13","5","1154","1157","10.1021/ol2000099","","","0.71073","MoKα","","0.2386","0.1116","","","0.2185","0.2345","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501993","12.0408","0.0008","11.9207","0.001","25.282","0.002","90","","96.518","0.002","90","","3605.4","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 N -","- C50 H35 N -","- C200 H140 N4 -","4","1","","Ehlers, Peter; Neubauer, Antje; Lochbrunner, Stefan; Villinger, Alexander; Langer, Peter","Multiple sonogashira reactions of polychlorinated molecules. Synthesis and photophysical properties of the first pentaalkynylpyridines.","Organic letters","2011","13","7","1618","1621","10.1021/ol2000183","","","0.71073","MoKα","","0.161","0.0594","","","0.1097","0.1344","","","","","","0.907","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501994","18.6752","0.0012","18.6752","0.0012","10.6107","0.0009","90","","90","","120","","3204.8","0.4","173","2","173","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C60 H42 -","- C60 H42 -","- C180 H126 -","3","0.166667","","Ehlers, Peter; Neubauer, Antje; Lochbrunner, Stefan; Villinger, Alexander; Langer, Peter","Multiple sonogashira reactions of polychlorinated molecules. Synthesis and photophysical properties of the first pentaalkynylpyridines.","Organic letters","2011","13","7","1618","1621","10.1021/ol2000183","","","0.71073","MoKα","","0.0502","0.0418","","","0.1269","0.1338","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501995","34.4501","0.0004","34.4501","0.0004","11.2367","0.0003","90","","90","","120","","11549.2","0.4","296","2","296","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C33 H24 O4 -","- C33 H24 O4 -","- C594 H432 O72 -","18","1","","Chen, Zuliang; Wei, Lai; Zhang, Junliang","Lewis acid catalyzed carbon-carbon bond cleavage of aryl oxiranyl diketones: synthesis of cis-2,5-disubstituted 1,3-dioxolanes.","Organic letters","2011","13","5","1170","1173","10.1021/ol2000292","","","0.71073","MoKα","","0.0369","0.0311","","","0.0683","0.0717","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501996","10.333","0.002","8.0719","0.0016","21.608","0.004","90","","100.077","0.005","90","","1774.5","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Chen, Zuliang; Wei, Lai; Zhang, Junliang","Lewis acid catalyzed carbon-carbon bond cleavage of aryl oxiranyl diketones: synthesis of cis-2,5-disubstituted 1,3-dioxolanes.","Organic letters","2011","13","5","1170","1173","10.1021/ol2000292","","","0.71073","MoKα","","0.058","0.0467","","","0.1305","0.1401","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501997","13.5779","0.0005","13.641","0.0005","15.0542","0.0006","65.339","0.002","65.488","0.002","64.504","0.002","2191.1","0.15","90","0.1","90","0.1","","","","","","","","3","P 1","P 1","1","","","","- C25 H28 O9 -","- C25 H28 O9 -","- C100 H112 O36 -","4","4","","de Silva, E. Dilip; Williams, David E.; Jayanetti, Dinith R.; Centko, Ryan M.; Patrick, Brian O.; Wijesundera, Ravi L. C.; Andersen, Raymond J.","Dhilirolides A-D, meroterpenoids produced in culture by the fruit-infecting fungus Penicillium purpurogenum collected in Sri Lanka.","Organic letters","2011","13","5","1174","1177","10.1021/ol200031t","","","1.54178","CuKα","","0.042","0.0402","","","0.1047","0.1083","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501998","8.5231","0.0004","29.4273","0.0012","11.1098","0.0005","90","","98.976","0.003","90","","2752.3","0.2","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H27 Br2 N O5 -","- C29 H27 Br2 N O5 -","- C116 H108 Br8 N4 O20 -","4","2","","Xia, Bing; Gerard, Baudouin; Solano, Danielle M.; Wan, Jiandi; Jones, 2nd, Guilford; Porco, Jr, John A","ESIPT-mediated photocycloadditions of 3-hydroxyquinolinones: development of a fluorescence quenching assay for reaction screening.","Organic letters","2011","13","6","1346","1349","10.1021/ol200032f","","","0.71073","MoKα","","0.0869","0.0471","","","0.0985","0.1118","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501999","10.912","0.002","11.048","0.002","12.028","0.002","84","0.03","69.82","0.03","79.15","0.03","1335.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 N4 O -","- C31 H34 N4 O -","- C62 H68 N8 O2 -","2","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.133","0.0489","","","0.0905","0.0976","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502000","6.2237","0.0012","12.171","0.002","13.138","0.003","82.83","0.03","80.74","0.03","82.4","0.03","968.1","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C48 H50 N2 O4 -","2","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.1245","0.0518","","","0.1064","0.1209","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502001","12.118","0.002","13.959","0.003","12.467","0.003","90","","107.72","0.03","90","","2008.8","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","","Zhang, Shaoguang; Zhao, Jing; Zhang, Wen-Xiong; Xi, Zhenfeng","One-pot synthesis of pyrrolo[3,2-d]pyridazines and pyrrole-2,3-diones via zirconocene-mediated four-component coupling of Si-tethered diyne, nitriles, and azide.","Organic letters","2011","13","7","1626","1629","10.1021/ol200038n","","","0.71073","MoKα","","0.1253","0.0539","","","0.0748","0.0786","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502002","6.4777","0.0015","16.504","0.005","29.762","0.007","90","","90","","90","","3181.8","1.4","123","","123","","","","","","","","","3","P 21 2 21","P 2ac 2ac","18","","","","- C32 H56.76 O8.38 -","- C32 H53 O8.375 -","- C128 H212 O33.5 -","4","1","","Abbet, Christian; Neuburger, Markus; Wagner, Trixie; Quitschau, Melanie; Hamburger, Matthias; Potterat, Olivier","Phyteumosides A and B: new saponins with unique triterpenoid aglycons from Phyteuma orbiculare L.","Organic letters","2011","13","6","1354","1357","10.1021/ol200047v","","","0.71073","MoKα","","0.1551","0.088","","0.2294","0.1988","0.2294","","","","","","0.9538","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502003","50.084","0.004","5.9938","0.0006","13.2247","0.001","90","","105.051","0.004","90","","3833.8","0.6","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H70 O14 -","- C32 H60 O14 -","- C128 H240 O56 -","4","1","","Abbet, Christian; Neuburger, Markus; Wagner, Trixie; Quitschau, Melanie; Hamburger, Matthias; Potterat, Olivier","Phyteumosides A and B: new saponins with unique triterpenoid aglycons from Phyteuma orbiculare L.","Organic letters","2011","13","6","1354","1357","10.1021/ol200047v","","","1.5418","CuKα","","0.104","0.0833","","0.116","0.0862","0.0862","","","","","","0.9263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502004","7.001","0.005","15.566","0.007","17.278","0.006","90","","97.18","0.05","90","","1868.1","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N -","- C24 H21 N -","- C96 H84 N4 -","4","1","","Verma, Akhilesh Kumar; Joshi, Megha; Singh, Ved Prakash","Base-mediated regio- and stereoselective intermolecular addition of alkynes to N-heterocycles.","Organic letters","2011","13","7","1630","1633","10.1021/ol200048z","","","0.71073","MoKα","","0.2743","0.1249","","","0.3094","0.38","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502005","9.7942","0.0009","12.2796","0.0012","12.112","0.0012","90","","103.887","0.002","90","","1414.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O4 S -","- C13 H14 N4 O4 S -","- C52 H56 N16 O16 S4 -","4","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0512","0.0432","","","0.1137","0.1189","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502006","14.707","0.003","5.2984","0.0011","19.177","0.004","90","","93.359","0.004","90","","1491.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N5 O3 S -","- C14 H17 N5 O3 S -","- C56 H68 N20 O12 S4 -","4","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0752","0.0665","","","0.1718","0.1838","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502007","26.7452","0.0019","11.6338","0.0007","18.7886","0.0011","90","","107.743","0.002","90","","5568","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N5 O3 S -","- C33 H31 N5 O3 S -","- C264 H248 N40 O24 S8 -","8","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0639","0.052","","","0.1332","0.1421","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502008","11.967","0.0013","12.7826","0.0014","10.6078","0.0011","90","","91.783","0.001","90","","1621.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N5 O3 S -","- C15 H19 N5 O3 S -","- C60 H76 N20 O12 S4 -","4","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0671","0.0522","","","0.1351","0.1444","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502009","35.609","0.003","5.7753","0.0005","14.2217","0.0013","90","","94.238","0.002","90","","2916.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N5 O3 S -","- C13 H15 N5 O3 S -","- C104 H120 N40 O24 S8 -","8","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.0681","0.0587","","","0.1589","0.1666","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502010","9.6362","0.0009","11.6135","0.0011","14.9611","0.0014","68.844","0.002","89.865","0.002","85.494","0.002","1556","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 N5 O3 S -","- C36 H38 N5 O3 S -","- C72 H76 N10 O6 S2 -","2","1","","Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.","Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.","Organic letters","2011","13","6","1382","1385","10.1021/ol200067e","","","0.71073","MoKα","","0.1086","0.0862","","","0.2144","0.2308","","","","","","1.717","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502011","9.5315","0.0006","10.4853","0.0005","11.9199","0.0006","81.715","0.002","76.668","0.003","79.787","0.003","1134.17","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H14 Br4 -","- C26 H14 Br4 -","- C52 H28 Br8 -","2","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0422","0.0407","","","0.1173","0.1195","","","","","","1.127","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502012","10.9572","0.0011","10.3404","0.0012","19.78","0.002","90","","104.931","0.006","90","","2165.4","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0938","0.055","","","0.1302","0.1506","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502013","9.8526","0.0002","18.1426","0.0003","19.4664","0.0003","108.757","0.001","100.399","0.001","100.076","0.001","3137.68","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28.33 H22.33 Cl -","- C28.3333 H22.3333 Cl -","- C170 H134 Cl6 -","6","3","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0462","0.0371","","","0.096","0.1005","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502014","9.6702","0.0002","9.6964","0.0002","11.0895","0.0002","79.568","0.001","77.854","0.001","76.233","0.001","977.9","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 Br2 -","- C26 H16 Br2 -","- C52 H32 Br4 -","2","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.54178","CuKα","","0.0238","0.0234","","","0.0625","0.0628","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502015","20.7871","0.0003","9.92103","0.00017","22.1583","0.0003","90","","97.5244","0.0014","90","","4530.35","0.12","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Br4 -","- C26 H14 Br4 -","- C208 H112 Br32 -","8","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","0.7107","MoKα","","0.1101","0.0544","","","0.0886","0.1034","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502016","20.3854","0.0004","10.05033","0.00019","21.6071","0.0005","90","","97.21","0.002","90","","4391.86","0.16","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 -","- C30 H26 -","- C240 H208 -","8","1","","Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra","Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.","Organic letters","2011","13","7","1634","1637","10.1021/ol200069c","","","1.5418","CuKα","","0.0544","0.0394","","","0.0989","0.1052","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502017","10.625","0.002","11.575","0.002","12.145","0.002","78.441","0.007","69.879","0.007","73.73","0.007","1337.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N O7 S -","- C27 H33 N O7 S -","- C54 H66 N2 O14 S2 -","2","1","","Witek, Jason A.; Weinreb, Steven M.","Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.","Organic letters","2011","13","5","1258","1260","10.1021/ol2000793","","","0.71073","MoKα","","0.1675","0.0854","","","0.1741","0.2084","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502018","10.5885","0.0012","11.549","0.0013","12.6474","0.0014","78.5","0.003","67.748","0.003","74.424","0.003","1370.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N O8 S -","- C27 H33 N O8 S -","- C54 H66 N2 O16 S2 -","2","1","","Witek, Jason A.; Weinreb, Steven M.","Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.","Organic letters","2011","13","5","1258","1260","10.1021/ol2000793","","","0.71073","MoKα","","0.0821","0.06","","","0.164","0.1796","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502019","10.4925","0.0009","15.2878","0.0012","17.4611","0.0014","90","","95.649","0.002","90","","2787.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 N2 O9 S -","- C25 H36 N2 O9 S -","- C100 H144 N8 O36 S4 -","4","1","","Witek, Jason A.; Weinreb, Steven M.","Investigation of the stereochemistry of intermolecular conjugate additions of nucleophiles to acyclic nitrosoalkenes.","Organic letters","2011","13","5","1258","1260","10.1021/ol2000793","","","0.71073","MoKα","","0.1062","0.0629","","","0.1437","0.1665","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502020","7.19","0.003","10.65","0.004","10.795","0.003","104.17","0.03","103.5","0.03","96.7","0.03","766","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C34 H34 Cl2 N4 O2 -","2","1","","Kumar, Arepalli Sateesh; Nagarajan, Rajagopal","Synthesis of α-carbolines via Pd-catalyzed amidation and Vilsmeier-Haack reaction of 3-acetyl-2-chloroindoles.","Organic letters","2011","13","6","1398","1401","10.1021/ol2000827","","","0.71073","MoKα","","0.1165","0.0459","","","0.0977","0.1145","","","","","","0.841","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1502021","8.466","0.005","9.68","0.003","16.183","0.007","90","","90","","90","","1326.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Kumar, Arepalli Sateesh; Nagarajan, Rajagopal","Synthesis of α-carbolines via Pd-catalyzed amidation and Vilsmeier-Haack reaction of 3-acetyl-2-chloroindoles.","Organic letters","2011","13","6","1398","1401","10.1021/ol2000827","","","0.71073","MoKα","","0.1142","0.0514","","","0.0881","0.1021","","","","","","0.829","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502022","10.6719","0.0007","12.0517","0.0008","13.6594","0.001","79.724","0.006","89.131","0.006","71.349","0.005","1636.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C33 H44 N2 O6 S Si -","- C33 H44 N2 O6 S Si -","- C66 H88 N4 O12 S2 Si2 -","2","1","","Breuning, M André; Harms, Klaus; Koert, Ulrich","The imidato-alkenyllithium route for the synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2011","13","6","1402","1405","10.1021/ol200085g","","x-ray","0.71073","MoKα","","0.0433","0.0336","","","0.0865","0.0893","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502023","15.266","0.003","14.002","0.003","13.444","0.003","90","","93.68","0.03","90","","2867.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C128 H120 N8 O8 S8 -","8","2","","Li, Yuye; Shi, Yi; Huang, Zhongxing; Wu, Xinhu; Xu, Pengfei; Wang, Jianbo; Zhang, Yan","Catalytic thia-Sommelet-Hauser rearrangement: application to the synthesis of oxindoles.","Organic letters","2011","13","5","1210","1213","10.1021/ol200091k","","","0.71073","MoKα","","0.1018","0.0435","","","0.0923","0.1245","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502024","8.1141","0.0018","12.333","0.003","12.54","0.003","75.603","0.005","79.653","0.005","86.555","0.005","1195.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 Cl N2 O6 S -","- C27 H19 Cl N2 O6 S -","- C54 H38 Cl2 N4 O12 S2 -","2","1","","Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.","Organic letters","2011","13","6","1418","1421","10.1021/ol200094b","","","0.71073","MoKα","","0.0913","0.07","","","0.2115","0.2307","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502025","8.2699","0.0009","11.008","0.0011","13.4496","0.0013","90.216","0.006","96.142","0.005","106.895","0.004","1164","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F N2 O6 S -","- C27 H19 F N2 O6 S -","- C54 H38 F2 N4 O12 S2 -","2","1","","Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.","Organic letters","2011","13","6","1418","1421","10.1021/ol200094b","","","0.71073","MoKα","","0.0933","0.0459","","","0.1072","0.1267","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502026","8.685","0.0003","12.5559","0.0004","13.1495","0.0004","65.376","0.002","76.518","0.002","70.244","0.002","1219.64","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O8 S -","- C28 H20 N2 O8 S -","- C56 H40 N4 O16 S2 -","2","1","","Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","Synthetic studies on indolocarbazoles: total synthesis of staurosporine aglycon.","Organic letters","2011","13","6","1418","1421","10.1021/ol200094b","","","0.71073","MoKα","","0.0589","0.0409","","","0.1096","0.1215","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502027","8.4428","0.0006","10.0656","0.0007","32.412","0.002","90","","90","","90","","2754.4","0.3","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Br O4 -","- C29 H41 Br O4 -","- C116 H164 Br4 O16 -","4","1","","Lin, Hongkun; Pochapsky, Susan S.; Krauss, Isaac J.","A short asymmetric route to the bromophycolide A and D skeleton.","Organic letters","2011","13","5","1222","1225","10.1021/ol200099n","","","0.71073","MoKα","","0.0427","0.0331","","0.0673","0.0657","0.0673","","","","","","0.9653","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502028","8.3737","0.0003","12.6257","0.0005","21.4999","0.0008","90","","90","","90","","2273.05","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 N2 O -","- C34 H20 N2 O -","- C136 H80 N8 O4 -","4","1","","Chen, Jinshui; Captain, Burjor; Takenaka, Norito","Helical chiral 2,2'-bipyridine N-monoxides as catalysts in the enantioselective propargylation of aldehydes with allenyltrichlorosilane.","Organic letters","2011","13","7","1654","1657","10.1021/ol200102c","","","0.71073","MoKα","","0.045","0.0391","","","0.106","0.1122","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502029","8.096","0.004","6.072","0.003","14.533","0.007","90","","98.522","0.007","90","","706.5","0.6","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl3 O2 -","- C15 H13 Cl3 O2 -","- C30 H26 Cl6 O4 -","2","1","","Hara, Noriyuki; Tamura, Ryota; Funahashi, Yasuhiro; Nakamura, Shuichi","N-(heteroarenesulfonyl)prolinamides-catalyzed aldol reaction between acetone and aryl trihalomethyl ketones.","Organic letters","2011","13","7","1662","1665","10.1021/ol2001039","","","0.7107","MoKα","","","0.0338","","","","0.0632","","","","","","1.274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502030","7.1137","0.0012","32.608","0.005","7.7093","0.0013","90","","94.914","0.003","90","","1781.7","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N O3.5 -","- C19 H26 N O3.5 -","- C76 H104 N4 O14 -","4","2","","Ďuriš, Andrej; Wiesenganger, Tomáš; Moravčíková, Daniela; Baran, Peter; Kožíšek, Jozef; Daïch, Adam; Berkeš, Dušan","Expedient and practical synthesis of CERT-dependent ceramide trafficking inhibitor HPA-12 and its analogues.","Organic letters","2011","13","7","1642","1645","10.1021/ol2001057","","","0.71073","MoKα","","0.0574","0.04","","","0.0874","0.0931","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502031","7.7687","0.0003","6.0916","0.0002","14.9497","0.0006","90","","98.117","0.004","90","","700.39","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N O4 -","- C13 H20 N O4 -","- C26 H40 N2 O8 -","2","1","","Ďuriš, Andrej; Wiesenganger, Tomáš; Moravčíková, Daniela; Baran, Peter; Kožíšek, Jozef; Daïch, Adam; Berkeš, Dušan","Expedient and practical synthesis of CERT-dependent ceramide trafficking inhibitor HPA-12 and its analogues.","Organic letters","2011","13","7","1642","1645","10.1021/ol2001057","","","0.71073","MoKα","","0.0743","0.0693","","","0.206","0.2115","","","","","","1.12","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502032","9.3686","0.0014","12.1651","0.0018","12.2768","0.0018","65.465","0.002","81.937","0.002","81.928","0.002","1255","0.3","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H31 B -","- C32 H31 B -","- C64 H62 B2 -","2","1","","Sun, Christina; Lu, Jiasheng; Wang, Suning","Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.","Organic letters","2011","13","5","1226","1229","10.1021/ol200106a","","","0.71073","MoKα","","0.0629","0.0462","","","0.1217","0.1352","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502033","8.148","0.012","23.74","0.03","12.404","0.018","90","","92.161","0.016","90","","2398","6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 B N -","- C31 H30 B N -","- C124 H120 B4 N4 -","4","1","","Sun, Christina; Lu, Jiasheng; Wang, Suning","Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.","Organic letters","2011","13","5","1226","1229","10.1021/ol200106a","","","0.71073","MoKα","","0.2376","0.1279","","","0.3261","0.3848","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502034","13.196","0.015","13.291","0.015","15.96","0.018","90","","98.526","0.013","90","","2768","5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B N O -","- C31 H32 B N O -","- C124 H128 B4 N4 O4 -","4","1","","Sun, Christina; Lu, Jiasheng; Wang, Suning","Donor-acceptor assisted alkyne hydration: a luminescent boron-stabilized enol.","Organic letters","2011","13","5","1226","1229","10.1021/ol200106a","","","0.71073","MoKα","","0.2209","0.0982","","","0.2132","0.2674","","","","","","0.915","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502035","8.4225","0.0004","13.77","0.0007","11.5762","0.0005","90","","104.075","0.002","90","","1302.28","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Mulzer, Michael; Coates, Geoffrey W.","A catalytic route to ampakines and their derivatives.","Organic letters","2011","13","6","1426","1428","10.1021/ol200111a","","","0.71073","MoKα","","0.0523","0.0401","","","0.0962","0.1032","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502036","21.849","0.003","12.3571","0.0015","16.732","0.002","90","","100.169","0.002","90","","4446.5","1","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C192 H152 N24 O16 -","8","1","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.0892","0.0596","","","0.1889","0.2014","","","","","","1.132","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502037","14.9549","0.0018","17.96","0.002","14.706","0.0017","90","","116.038","0.002","90","","3549","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","2","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.1261","0.0603","","","0.1598","0.1928","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502038","15.6502","0.0011","13.1606","0.001","37.823","0.003","90","","90","","90","","7790.3","1","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C384 H352 N32 O48 -","16","2","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.1569","0.0718","","","0.1987","0.2572","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502039","11.5671","0.0011","8.642","0.0008","21.537","0.002","90","","101.217","0.002","90","","2111.8","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.088","0.0611","","","0.1944","0.2151","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502040","11.998","0.001","6.7769","0.0006","11.9999","0.001","90","","93.718","0.001","90","","973.65","0.14","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H19 I N2 O2 -","- C23 H19 I N2 O2 -","- C46 H38 I2 N4 O4 -","2","0.5","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.0394","0.0346","","","0.0967","0.1004","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502041","5.7147","0.0013","11.254","0.002","14.617","0.003","109.34","0.01","93.58","0.011","101.96","0.012","859","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Br O S -","- C19 H21 Br O S -","- C38 H42 Br2 O2 S2 -","2","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0485","0.043","","","0.0828","0.0854","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502042","5.8183","0.0009","11.251","0.0015","14.411","0.002","72.27","0.007","82.26","0.008","76.86","0.007","872.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Br O S -","- C19 H21 Br O S -","- C38 H42 Br2 O2 S2 -","2","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0517","0.0463","","","0.0967","0.0994","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502043","12.116","0.002","6.5574","0.0013","17.062","0.003","90","","104.09","0.03","90","","1314.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0683","0.0614","","","0.1709","0.184","","","","","","1.23","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502044","25.707","0.005","51.276","0.01","5.6218","0.0011","90","","90","","90","","7410","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C320 H416 O48 S16 -","16","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0648","0.0586","","","0.1345","0.1392","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502045","7.879","0.0016","20.374","0.004","11.622","0.002","90","","98.79","0.03","90","","1843.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0894","0.079","","","0.1657","0.172","","","","","","1.169","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502046","23.497","0.005","52.752","0.011","5.7732","0.0012","90","","90","","90","","7156","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C320 H416 O48 S16 -","16","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0737","0.0679","","","0.1658","0.1705","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502047","9.486","0.009","26.43","0.02","20.531","0.019","90","","102.677","0.012","90","","5022","8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 B F S -","- C30 H34 B F S -","- C240 H272 B8 F8 S8 -","8","2","","Zhao, Haiyan; Gabbaï, François P","Nucleophilic fluorination reactions starting from aqueous fluoride ion solutions.","Organic letters","2011","13","6","1444","1446","10.1021/ol200129q","","","0.71073","MoKα","","0.1286","0.0731","","","0.1878","0.2132","","","","","","1.058","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502048","3.79021","0.00012","12.8608","0.0004","13.5027","0.0004","94.054","0.002","92.358","0.002","91.872","0.002","655.57","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H10 N2 -","- C20 H10 N2 -","- C40 H20 N4 -","2","1","","Katsuta, Shuhei; Miyagi, Daichi; Yamada, Hiroko; Okujima, Tetsuo; Mori, Shigeki; Nakayama, Ken-ichi; Uno, Hidemitsu","Synthesis, properties, and ambipolar organic field-effect transistor performances of symmetrically cyanated pentacene and naphthacene as air-stable acene derivatives.","Organic letters","2011","13","6","1454","1457","10.1021/ol200145r","","","1.54187","CuKα","","0.1141","0.0677","","","0.1502","0.1776","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502049","5.1827","0.0001","8.0456","0.0002","20.4481","0.0005","90","","90","","90","","852.64","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","1","","Hovey, M. Todd; Eklund, Emily J.; Pike, Robert D.; Mainkar, Anshul A.; Scheerer, Jonathan R.","Synthesis of (±)-acetylnorloline via stereoselective tethered aminohydroxylation.","Organic letters","2011","13","5","1246","1249","10.1021/ol200155p","","","1.54178","CuKα","","0.0383","0.0319","","","0.0794","0.0833","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502050","21.3138","0.0006","9.4146","0.0003","13.7762","0.0004","90","","97.58","0.001","90","","2740.19","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O12 S2 -","- C23 H32 N2 O12 S2 -","- C92 H128 N8 O48 S8 -","4","1","","Hovey, M. Todd; Eklund, Emily J.; Pike, Robert D.; Mainkar, Anshul A.; Scheerer, Jonathan R.","Synthesis of (±)-acetylnorloline via stereoselective tethered aminohydroxylation.","Organic letters","2011","13","5","1246","1249","10.1021/ol200155p","","","1.54178","CuKα","","0.0436","0.0389","","","0.0977","0.1011","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502051","7.7364","0.0015","13.139","0.003","24.286","0.005","90","","90","","90","","2468.6","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br N2 O3 S3 -","- C22 H25 Br N2 O3 S3 -","- C88 H100 Br4 N8 O12 S12 -","4","1","","Liu, Xiaodong; Deng, Leijiao; Song, Hongjin; Jia, Huazhen; Wang, Rui","Asymmetric aza-Mannich addition: synthesis of modified chiral 2-(ethylthio)-thiazolone derivatives with anticancer potency.","Organic letters","2011","13","6","1494","1497","10.1021/ol200185h","","","0.71073","MoKα","","0.0645","0.0386","","","0.0737","0.0827","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502052","17.248","0.005","8.517","0.003","13.924","0.004","90","","101.35","0.006","90","","2005.5","1.1","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O6 -","- C23 H20 N O6 -","- C92 H80 N4 O24 -","4","1","","Jung, Hyo Sung; Ko, Kyoung Chul; Kim, Gun-Hee; Lee, Ah-Rah; Na, Yun-Cheol; Kang, Chulhun; Lee, Jin Yong; Kim, Jong Seung","Coumarin-based thiol chemosensor: synthesis, turn-on mechanism, and its biological application.","Organic letters","2011","13","6","1498","1501","10.1021/ol2001864","","","0.71073","MoKα","","0.1554","0.067","","","0.1658","0.1899","","","","","","0.876","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502053","16.1277","0.0006","18.8951","0.0006","20.979","0.0015","90","","90","","90","","6393","0.6","123.1","","123.1","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C70 H72 Br Li N2 O8.5 P2 Ru -","- C70 H68 Br Li N2 O8.5 P2 Ru -","- C280 H272 Br4 Li4 N8 O34 P8 Ru4 -","4","1","","Kurono, Nobuhito; Yoshikawa, Tatsuya; Yamasaki, Mikio; Ohkuma, Takeshi","Enantioselective hydrocyanation of aldehydes catalyzed by [Li{Ru(phgly)2(binap)}]X (X = Cl, Br).","Organic letters","2011","13","5","1254","1257","10.1021/ol200187d","","","0.71075","MoKα","","","0.0465","","","","0.1113","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502054","12.528","0.001","12.7591","0.0009","16.6789","0.0013","90","","102.161","0.007","90","","2606.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5,5',5'-tetrafluoro-1,1',3,3',7,7',9,9',10,10' -decamethyl-5H,5'H-[2,2'-bidipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinine]-4,6'-diium-5,5'-diuide","","- C28 H32 B2 F4 N4 -","- C28 H32 B2 F4 N4 -","- C112 H128 B8 F16 N16 -","4","1","","Rihn, Sandra; Erdem, Mustafa; De Nicola, Antoinette; Retailleau, Pascal; Ziessel, Raymond","Phenyliodine(III) bis(trifluoroacetate) (PIFA)-promoted synthesis of Bodipy dimers displaying unusual redox properties.","Organic letters","2011","13","8","1916","1919","10.1021/ol200189y","","","1.54187","CuKα","","0.1436","0.0885","","","0.2291","0.2741","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502055","11.5971","0.0003","17.5177","0.0005","7.3754","0.0002","90","","102.439","0.003","90","","1463.17","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Brown, Michael J.; Clarkson, Guy J.; Inglis, Graham G.; Shipman, Michael","Synthesis and functionalization of 3-alkylidene-1,2-diazetidines using transition metal catalysis.","Organic letters","2011","13","7","1686","1689","10.1021/ol200193n","","","0.71073","MoKα","","0.0531","0.0405","","","0.1008","0.1047","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502056","7.7254","0.0007","8.2025","0.0007","29.583","0.003","90","","96.638","0.003","90","","1862","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Zhang, Xiaobing; Fu, Chunling; Ma, Shengming","Highly stereoselective facile synthesis of 2-acetoxy-1,3(E)-alkadienes via a Rh(I)-catalyzed isomerization of 2,3-allenyl carboxylates.","Organic letters","2011","13","8","1920","1923","10.1021/ol200198z","","","0.71073","MoKα","","0.0694","0.0608","","","0.1451","0.15","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502057","9.3516","0.0007","17.7586","0.0014","8.2539","0.0007","90","","92.802","0.005","90","","1369.1","0.19","143","1","143","1","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C10 H14 B F3 K N O2 S -","- C10 H14 B F3 K N O2 S -","- C40 H56 B4 F12 K4 N4 O8 S4 -","4","1","","Molander, Gary A.; Fleury-Brégeot, Nicolas; Hiebel, Marie-Aude","Synthesis and cross-coupling of sulfonamidomethyltrifluoroborates.","Organic letters","2011","13","7","1694","1697","10.1021/ol200202g","","","0.71073","MoKα","","0.0494","0.0425","","","0.1065","0.1154","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502058","5.4753","0.0011","22.659","0.005","13.406","0.003","90","","96.93","0.03","90","","1651.1","0.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","IB1","","","- C44 H44 N2 -","- C44 H44 N2 -","- C88 H88 N4 -","2","1","","Yin, Xiaodong; Li, Yongjun; Zhu, Yulan; Kan, Yuhe; Li, Yuliang; Zhu, Daoben","Synthesis of a pentalene centered polycyclic fused system.","Organic letters","2011","13","6","1520","1523","10.1021/ol200213h","","","0.71073","MoKα","","0.055","0.0503","","","0.1148","0.1188","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502059","9.248","0.0009","10.0534","0.001","13.1721","0.0013","73.028","0.004","89.186","0.004","81.101","0.004","1156.6","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N O6 -","- C25 H31 N O6 -","- C50 H62 N2 O12 -","2","1","","Stevens, Andrew C.; Palmer, Cory; Pagenkopf, Brian L.","The formal [4+3] cycloaddition between donor-acceptor cyclobutanes and nitrones.","Organic letters","2011","13","6","1528","1531","10.1021/ol200220d","","","0.71073","MoKα","","0.0971","0.0459","","","0.084","0.1001","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502060","12.4126","0.0006","8.9675","0.0005","21.4679","0.0011","90","","104.085","0.001","90","","2317.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C100 H112 Cl4 N4 O24 -","4","1","","Stevens, Andrew C.; Palmer, Cory; Pagenkopf, Brian L.","The formal [4+3] cycloaddition between donor-acceptor cyclobutanes and nitrones.","Organic letters","2011","13","6","1528","1531","10.1021/ol200220d","","","0.71073","MoKα","","0.0698","0.0402","","","0.0911","0.1081","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502061","13.1053","0.0007","11.2478","0.0006","16.0248","0.0009","90","","96.924","0.002","90","","2344.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C100 H112 Cl4 N4 O24 -","4","1","","Stevens, Andrew C.; Palmer, Cory; Pagenkopf, Brian L.","The formal [4+3] cycloaddition between donor-acceptor cyclobutanes and nitrones.","Organic letters","2011","13","6","1528","1531","10.1021/ol200220d","","","0.71073","MoKα","","0.068","0.04","","","0.0829","0.0962","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502062","12.4562","0.0007","14.7749","0.0009","15.534","0.001","96.833","0.005","108.722","0.005","109.903","0.005","2460.8","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C69 H54 -","- C69 H54 -","- C138 H108 -","2","1","","Kao, Min-Tzu; Chen, Jia-Hong; Chu, Ying-Ying; Tseng, Kuo-Pi; Hsu, Chia-Huei; Wong, Ken-Tsung; Chang, Che-Wei; Hsu, Chao-Ping; Liu, Yi-Hung","Facile synthesis of 5,10,15-hexaaryl truxenes: structure and properties.","Organic letters","2011","13","7","1714","1717","10.1021/ol200227w","","","1.54178","CuKα","","0.1942","0.1094","","","0.2036","0.2464","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502063","14.4957","0.0001","23.2552","0.0003","22.2461","0.0003","90","","92.018","0.001","90","","7494.52","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C101 H82 O12 -","- C101 H82 O12 -","- C404 H328 O48 -","4","1","","Kao, Min-Tzu; Chen, Jia-Hong; Chu, Ying-Ying; Tseng, Kuo-Pi; Hsu, Chia-Huei; Wong, Ken-Tsung; Chang, Che-Wei; Hsu, Chao-Ping; Liu, Yi-Hung","Facile synthesis of 5,10,15-hexaaryl truxenes: structure and properties.","Organic letters","2011","13","7","1714","1717","10.1021/ol200227w","","","1.54178","CuKα","","0.0738","0.0517","","","0.1394","0.1528","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502064","8.611","0.01","9.94","0.011","14.072","0.016","101.868","0.008","101.616","0.012","108.946","0.011","1067","2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C54 H44 N4 S2 -","2","1","","Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi","Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties.","Organic letters","2011","13","7","1718","1721","10.1021/ol200231z","","","0.7107","MoKα","","0.1948","0.1063","","","0.1708","0.2083","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502065","7.3583","0.0001","20.2268","0.0004","28.3714","0.0005","90","","90","","90","","4222.65","0.13","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H20 N2 S -","- C27 H20 N2 S -","- C216 H160 N16 S8 -","8","1","","Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi","Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties.","Organic letters","2011","13","7","1718","1721","10.1021/ol200231z","","","0.71075","MoKα","","","0.0667","","","","0.133","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502066","15.4246","0.0003","5.5367","0.0001","20.8373","0.0004","90","","102.206","0.001","90","","1739.31","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O6 S -","- C15 H17 N3 O6 S -","- C60 H68 N12 O24 S4 -","4","1","","Li, Chaoqun; Zhang, Liming","Gold-catalyzed nitrene transfer to activated alkynes: formation of α,β-unsaturated amidines.","Organic letters","2011","13","7","1738","1741","10.1021/ol2002607","","","1.54178","CuKα","","0.0742","0.0705","","","0.1828","0.1857","","","","","","1.332","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502067","10.8154","0.0003","10.8724","0.0004","15.4707","0.0005","90","","90","","90","","1819.19","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O4 S -","- C16 H29 N O4 S -","- C64 H116 N4 O16 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0304","0.0274","","","0.0718","0.074","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502068","5.6398","0.0005","15.691","0.0017","20.963","0.002","90","","90","","90","","1855.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0592","0.0353","","","0.0717","0.0817","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502069","7.2192","0.0005","11.2843","0.0008","17.5962","0.0016","104.861","0.004","91.043","0.004","106.942","0.003","1318.66","0.18","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H27 N O4 S -","- C16 H27 N O4 S -","- C48 H81 N3 O12 S3 -","3","3","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0338","0.0294","","","0.073","0.0762","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502070","12.1844","0.0003","12.7928","0.0003","13.5732","0.0004","90","","90","","90","","2115.69","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 I N O2 S -","- C23 H20 I N O2 S -","- C92 H80 I4 N4 O8 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.027","0.0239","","","0.0562","0.058","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502071","8.0511","0.0002","14.6698","0.0004","16.0269","0.0005","90","","90","","90","","1892.91","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O2 S -","- C21 H22 Br N O2 S -","- C84 H88 Br4 N4 O8 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0395","0.0299","","","0.0603","0.0628","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502072","14.10697","0.00016","20.6425","0.0002","8.61563","0.00007","90","","91.6541","0.0009","90","","2507.85","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 I N2 O5 S -","- C27 H23 I N2 O5 S -","- C108 H92 I4 N8 O20 S4 -","4","1","","Kramer, Søren; Friis, Stig D.; Xin, Zhuo; Odabachian, Yann; Skrydstrup, Troels","Metal-free halonium mediated acetate shifts of ynamides to access α-halo acrylamides/acrylimides.","Organic letters","2011","13","7","1750","1753","10.1021/ol200269h","","","0.71073","MoKα","","0.0361","0.0283","","","0.0965","0.1058","","","","","","0.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502073","12.71437","0.00013","9.95279","0.00011","19.7029","0.0002","90","","98.5892","0.001","90","","2465.31","0.05","100","0.2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Br N2 O5 S -","- C27 H23 Br N2 O5 S -","- C108 H92 Br4 N8 O20 S4 -","4","1","","Kramer, Søren; Friis, Stig D.; Xin, Zhuo; Odabachian, Yann; Skrydstrup, Troels","Metal-free halonium mediated acetate shifts of ynamides to access α-halo acrylamides/acrylimides.","Organic letters","2011","13","7","1750","1753","10.1021/ol200269h","","","0.71073","MoKα","","0.0656","0.0538","","","0.1942","0.2023","","","","","","1.531","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502074","12.6694","0.0002","9.812","0.0003","19.7705","0.0003","90","","97.0594","0.0015","90","","2439.08","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl N2 O5 S -","- C27 H23 Cl N2 O5 S -","- C108 H92 Cl4 N8 O20 S4 -","4","1","","Kramer, Søren; Friis, Stig D.; Xin, Zhuo; Odabachian, Yann; Skrydstrup, Troels","Metal-free halonium mediated acetate shifts of ynamides to access α-halo acrylamides/acrylimides.","Organic letters","2011","13","7","1750","1753","10.1021/ol200269h","","","0.71073","MoKα","","0.0518","0.0413","","","0.1403","0.1539","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502075","7.5727","0.0008","22.554","0.002","7.842","0.0008","90","","112.26","0.01","90","","1239.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O2 S2 -","- C12 H8 N2 O2 S2 -","- C48 H32 N8 O8 S8 -","4","1","","Hergué, Noémie; Mallet, Charlotte; Savitha, Gurunathan; Allain, Magali; Frère, Pierre; Roncali, Jean","Facile synthesis of 3-alkoxy-4-cyanothiophenes as new building blocks for donor-acceptor conjugated systems.","Organic letters","2011","13","7","1762","1765","10.1021/ol200296j","","x-ray","0.71073","MoKα","","","0.0402","","","","0.1117","","","","","","0.851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502076","5.046","0.002","14.874","0.005","18.545","0.007","77.02","0.03","83.19","0.03","82.81","0.03","1339.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N2 O2 S2 -","- C26 H36 N2 O2 S2 -","- C52 H72 N4 O4 S4 -","2","1","","Hergué, Noémie; Mallet, Charlotte; Savitha, Gurunathan; Allain, Magali; Frère, Pierre; Roncali, Jean","Facile synthesis of 3-alkoxy-4-cyanothiophenes as new building blocks for donor-acceptor conjugated systems.","Organic letters","2011","13","7","1762","1765","10.1021/ol200296j","","x-ray","0.71073","MoKα","","","0.0911","","","","0.246","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502077","5.5539","0.001","9.0119","0.0017","14.952","0.003","90","","98.46","0.004","90","","740.2","0.2","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Troyer, Timothy L.; Muchalski, Hubert; Hong, Ki Bum; Johnston, Jeffrey N.","Origins of selectivity in Brønsted acid-promoted diazoalkane-azomethine reactions (the aza-Darzens aziridine synthesis).","Organic letters","2011","13","7","1790","1792","10.1021/ol200313m","","","0.71073","MoKα","","0.0689","0.0508","","","0.1235","0.1354","","","","","","1.049","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502078","7.0978","0.0008","22.731","0.002","11.178","0.002","90","","117.72","0.01","90","","1596.5","0.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Pierre, Cathleen; Baudoin, Olivier","Synthesis of polycyclic molecules by double C(sp2)-H/C(sp3)-H arylations with a single palladium catalyst.","Organic letters","2011","13","7","1816","1819","10.1021/ol200329e","","","0.7107","MoKα","","0.1103","0.0919","","0.2037","0.1943","0.2037","","","","","","1.0167","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502079","23.8893","0.001","5.446","0.0002","19.6525","0.0007","90","","112.514","0.005","90","","2361.95","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9-[(E)-2-iodoethenyl]-9H-carbazole","","- C14 H10 I N -","- C14 H10 I N -","- C112 H80 I8 N8 -","8","1","","Pawluć, Piotr; Franczyk, Adrian; Walkowiak, Jędrzej; Hreczycho, Grzegorz; Kubicki, Maciej; Marciniec, Bogdan","(E)-9-(2-iodovinyl)-9H-carbazole: a new coupling reagent for the synthesis of π-conjugated carbazoles.","Organic letters","2011","13","8","1976","1979","10.1021/ol200350a","","","0.71073","MoKα","","0.04","0.0307","","","0.0772","0.0802","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502080","8.497","0.002","17.41","0.003","17.576","0.003","90.96","0.02","96.2","0.02","100.08","0.02","2543.3","0.9","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N O Si -","- C32 H29 N O Si -","- C128 H116 N4 O4 Si4 -","4","2","","Pawluć, Piotr; Franczyk, Adrian; Walkowiak, Jędrzej; Hreczycho, Grzegorz; Kubicki, Maciej; Marciniec, Bogdan","(E)-9-(2-iodovinyl)-9H-carbazole: a new coupling reagent for the synthesis of π-conjugated carbazoles.","Organic letters","2011","13","8","1976","1979","10.1021/ol200350a","","","0.71073","MoKα","","0.196","0.0889","","","0.1833","0.2314","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502081","13.5461","0.0007","5.6788","0.0003","16.1132","0.0008","90","","92.787","0.002","90","","1238.05","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 S2 -","- C12 H11 N O3 S2 -","- C48 H44 N4 O12 S8 -","4","1","","Dong, Yanmei; Bolduc, Andréanne; McGregor, Nicholas; Skene, W. G.","Push-pull aminobithiophenes‒highly fluorescent stable fluorophores.","Organic letters","2011","13","7","1844","1847","10.1021/ol200353k","","","1.54178","CuKα","","0.0276","0.0262","","","0.0713","0.0724","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502082","10.065","0.003","5.1868","0.0014","18.275","0.005","90","","98.279","0.003","90","","944.1","0.5","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Br F2 N O2 -","- C22 H16 Br F2 N O2 -","- C44 H32 Br2 F4 N2 O4 -","2","1","","Kashikura, Wataru; Mori, Keiji; Akiyama, Takahiko","Chiral phosphoric acid catalyzed enantioselective synthesis of β-amino-α,α-difluoro carbonyl compounds.","Organic letters","2011","13","7","1860","1863","10.1021/ol200374m","","","0.71073","MoKα","","0.0656","0.0464","","","0.0978","0.1053","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502083","12.3469","0.0017","20.475","0.003","8.4258","0.0011","90","","90.67","0.004","90","","2129.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C104 H120 N8 O16 -","4","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.0788","0.0583","","","0.1633","0.1729","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502084","11.542","0.002","12.157","0.003","15.623","0.003","90","","90","","90","","2192.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.085","0.055","","","0.1507","0.1688","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502085","11.217","0.003","10.848","0.003","18.81","0.005","90","","100.54","0.006","90","","2250.2","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.0667","0.0405","","","0.0853","0.0955","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502086","19.6684","0.0017","6.0152","0.0005","26.14","0.002","90","","90","","90","","3092.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 O -","- C18 H26 O -","- C144 H208 O8 -","8","1","","Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S.","An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion.","Organic letters","2011","13","8","2004","2007","10.1021/ol200402m","","","0.71073","MoKα","","0.0694","0.0525","","","0.1434","0.1573","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502087","8.4054","0.001","6.9528","0.0008","31.194","0.004","90","","92.883","0.004","90","","1820.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S.","An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion.","Organic letters","2011","13","8","2004","2007","10.1021/ol200402m","","","1.54178","CuKα","","0.0432","0.0426","","","0.1054","0.1057","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502088","5.8014","0.0003","8.9652","0.0004","26.0067","0.001","90","","90","","90","","1352.63","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-phenylpropan-1-one","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Rohr, Kerstin; Mahrwald, Rainer","Stereoselective direct amine-catalyzed decarboxylative aldol addition.","Organic letters","2011","13","7","1878","1880","10.1021/ol200412r","","","0.71073","MoKα","","0.0493","0.0413","","","0.1085","0.12","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502089","6.224","0.003","17.136","0.007","49.434","0.019","90","","90","","90","","5272","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O4 S -","- C16 H18 Br N O4 S -","- C192 H216 Br12 N12 O48 S12 -","12","3","","Terada, Masahiro; Ando, Kenichi","Enantioselective direct vinylogous Michael addition of functionalized furanones to nitroalkenes catalyzed by an axially chiral guanidine base.","Organic letters","2011","13","8","2026","2029","10.1021/ol200415u","","","0.71073","MoKα","","0.0861","0.0698","","","0.1491","0.1569","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502090","8.2616","0.0008","18.2223","0.0016","34.406","0.004","90","","90","","90","","5179.7","0.9","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","1-tosyl-6-(4-(trifluoromethyl)phenyl)-8-(trimethylsilyl)-1,2,3,4-tetrahydro-1,7-naphthyridine","","- C25 H27 F3 N2 O2 S Si -","- C25 H27 F3 N2 O2 S Si -","- C200 H216 F24 N16 O16 S8 Si8 -","8","1","","Garcia, Pierre; Evanno, Yannick; George, Pascal; Sevrin, Mireille; Ricci, Gino; Malacria, Max; Aubert, Corinne; Gandon, Vincent","Regioselective cobalt-catalyzed formation of bicyclic 3- and 4-aminopyridines.","Organic letters","2011","13","8","2030","2033","10.1021/ol200417p","","","0.71073","MoKα","","0.0738","0.0626","","","0.1628","0.1761","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502091","8.3963","0.0004","11.4021","0.0005","26.4261","0.0012","90","","90","","90","","2529.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 -","- C30 H33 N O4 -","- C120 H132 N4 O16 -","4","1","","Anwar, Shaik; Chang, Hui-Ju; Chen, Kwunmin","Organocatalytic synthesis of multiple substituted bicyclo[4.4.0]decalin system.","Organic letters","2011","13","9","2200","2203","10.1021/ol200424x","","","0.71073","MoKα","","0.0682","0.0459","","","0.1055","0.1231","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502092","8.39","0.005","22.555","0.015","23.123","0.017","90","","90","","90","","4376","5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 Cl2 N4 O12 -","- C47 H50 Cl2 N4 O12 -","- C188 H200 Cl8 N16 O48 -","4","1","","Anwar, Shaik; Chang, Hui-Ju; Chen, Kwunmin","Organocatalytic synthesis of multiple substituted bicyclo[4.4.0]decalin system.","Organic letters","2011","13","9","2200","2203","10.1021/ol200424x","","","0.71073","MoKα","","0.2795","0.0986","","","0.1819","0.2462","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502093","8.1184","0.0005","10.0564","0.0006","10.6131","0.0006","102.882","0.002","95.326","0.002","100.637","0.002","821.99","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C40 H46 N2 O4 -","2","1","","Zhang, Line; Ang, Gim Yean; Chiba, Shunsuke","Copper-catalyzed benzylic C-H oxygenation under an oxygen atmosphere via N-H imines as an intramolecular directing group.","Organic letters","2011","13","7","1622","1625","10.1021/ol200425c","","","0.71073","MoKα","","0.0499","0.041","","","0.1183","0.13","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502094","9.3002","0.0004","12.6601","0.0005","18.6031","0.0009","90","","92.463","0.002","90","","2188.33","0.17","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C112 H100 N4 O8 S4 -","4","1","","Zhang, Line; Ang, Gim Yean; Chiba, Shunsuke","Copper-catalyzed benzylic C-H oxygenation under an oxygen atmosphere via N-H imines as an intramolecular directing group.","Organic letters","2011","13","7","1622","1625","10.1021/ol200425c","","","0.71073","MoKα","","0.0949","0.0585","","","0.1609","0.1952","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502095","9.5185","0.0003","10.7567","0.0004","16.0768","0.0005","90","","90","","90","","1646.07","0.1","93.1","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C64 H96 N8 O16 -","4","1","","Takita, Satoshi; Yokoshima, Satoshi; Fukuyama, Tohru","A practical synthesis of (-)-kainic acid.","Organic letters","2011","13","8","2068","2070","10.1021/ol200434a","","","1.54187","CuKα","","","0.0348","","","","0.0933","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502096","9.6153","0.0005","11.8618","0.0006","12.3299","0.0006","64.011","0.001","89.001","0.001","75.068","0.001","1213.99","0.11","125","2","125","2","","","","","","","","5","P -1","-P 1","2","2-(3-acetonitrilethiophene)AQ","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C56 H54 N2 O12 S2 -","2","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0628","0.0498","","","0.1132","0.122","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502097","8.2245","0.0004","17.4342","0.0009","18.3495","0.0009","90","","92.703","0.001","90","","2628.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CE-bithiophene-monomer","","","- C30 H28 O6 S2 -","- C30 H28 O6 S2 -","- C120 H112 O24 S8 -","4","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0567","0.0427","","","0.114","0.1242","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502098","13.554","0.004","11.791","0.003","14.702","0.004","90","","110.179","0.004","90","","2205.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CE-Bithiophene-Dimer","","","- C52 H50 O12 S2 -","- C52 H50 O12 S2 -","- C104 H100 O24 S4 -","2","0.5","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0883","0.0526","","","0.1245","0.1427","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502099","20.8115","0.0018","17.7466","0.0015","8.0099","0.0007","90","","90","","90","","2958.3","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","CE-terthiophene","","","- C34 H30 O6 S3 -","- C34 H30 O6 S3 -","- C136 H120 O24 S12 -","4","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0591","0.0447","","","0.1028","0.1114","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502100","10.044","0.003","13.134","0.005","13.209","0.007","119.345","0.006","102.449","0.007","99.743","0.005","1403.7","1","125","2","125","2","","","","","","","","4","P -1","-P 1","2","2-(N-2-cyanoethylpyrrole)AQ","","","- C29 H30 N2 O6 -","- C29 H30 N2 O6 -","- C58 H60 N4 O12 -","2","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.1513","0.0626","","","0.1207","0.141","","","","","","0.803","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502101","6.534","0.0003","8.6083","0.0004","13.4229","0.0006","88.568","0.002","78.057","0.002","70.267","0.002","694.45","0.06","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Hehn, Jörg P; Herdtweck, Eberhardt; Bach, Thorsten","A photocycloaddition/fragmentation approach toward the 3,12-dioxatricyclo[8.2.1.0(6,13)]tridecane skeleton of terpenoid natural products.","Organic letters","2011","13","7","1892","1895","10.1021/ol2004462","","","0.71073","MoKα","","0.0368","0.0358","","","0.0863","0.0872","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502102","9.3811","0.0005","9.7531","0.0005","13.3506","0.0007","90","","100.17","0.002","90","","1202.32","0.11","123","1","123","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Hehn, Jörg P; Herdtweck, Eberhardt; Bach, Thorsten","A photocycloaddition/fragmentation approach toward the 3,12-dioxatricyclo[8.2.1.0(6,13)]tridecane skeleton of terpenoid natural products.","Organic letters","2011","13","7","1892","1895","10.1021/ol2004462","","","0.71073","MoKα","","0.0366","0.0346","","","0.0878","0.0899","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502103","11.01","0.005","18.968","0.008","33.023","0.015","90","","90","","90","","6896","5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H92 B4 N2 O15 -","- C67 H92 B4 N2 O15 -","- C268 H368 B16 N8 O60 -","4","1","","Teraoka, Takuro; Hiroto, Satoru; Shinokubo, Hiroshi","Iridium-catalyzed direct tetraborylation of perylene bisimides.","Organic letters","2011","13","10","2532","2535","10.1021/ol2004534","","","0.71073","MoKα","","0.2252","0.0918","","","0.224","0.3186","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502104","10.7654","0.0002","19.089","0.0003","23.5235","0.0003","90","","90","","90","","4834.1","0.13","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H29.5 N1.5 O3.5 P -","- C25.5 H29.5 N1.5 O3.5 P -","- C204 H236 N12 O28 P8 -","8","2","","Ingle, Gajendrasingh K.; Liang, Yuxue; Mormino, Michael G.; Li, Guilong; Fronczek, Frank R.; Antilla, Jon C.","Chiral magnesium BINOL phosphate-catalyzed phosphination of imines: access to enantioenriched α-amino phosphine oxides.","Organic letters","2011","13","8","2054","2057","10.1021/ol200456y","","","1.54178","CuKα","","0.03","0.028","","","0.068","0.07","","","","","","1.03","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502105","35.653","0.0008","6.9183","0.0002","14.1033","0.0004","90","","112.256","0.0012","90","","3219.52","0.15","150","","150","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","1","","Donohoe, Timothy J.; Connolly, Matthew J.; Rathi, Akshat H.; Walton, Lesley","Intramolecular hydride addition to pyridinium salts: new routes to enantiopure dihydropyridones.","Organic letters","2011","13","8","2074","2077","10.1021/ol200478p","","","0.71073","MoKα","","0.0568","0.0406","","0.0969","0.0891","0.0969","","","","","","0.9509","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502106","23.457","0.003","23.757","0.005","26.589","0.005","89.981","0.016","70.807","0.01","81.113","0.015","13805","4","128","2","128","2","","","","","","","","3","P -1","-P 1","2","","","","- C93 H81 O6 -","- C93 H80.5 O6 -","- C744 H644 O48 -","8","4","","Venkataramana, Gandikota; Dongare, Prateek; Dawe, Louise N.; Thompson, David W.; Zhao, Yuming; Bodwell, Graham J.","1,8-Pyrenylene-ethynylene macrocycles.","Organic letters","2011","13","9","2240","2243","10.1021/ol200485x","","","0.71075","MoKα","","0.226","0.1321","","","0.3022","0.3531","","","","","","1.38","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502107","13.5","0.003","15.178","0.003","11.351","0.002","90","","90","","90","","2325.9","0.8","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0581","0.0373","","","","0.0924","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502108","8.8027","0.0002","9.9264","0.0002","13.7092","0.0003","90","","90","","90","","1197.9","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0258","0.0245","","","","0.0632","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502109","8.0746","0.0001","10.5381","0.0001","19.0147","0.0003","90","","98","0.001","90","","1602.23","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0761","0.0461","","","0.1074","0.1261","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502110","10.7398","0.0003","8.2057","0.0002","25.488","0.0009","90","","90","","90","","2246.2","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O5 Si -","- C22 H31 N O5 Si -","- C88 H124 N4 O20 Si4 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","1.54184","CuKα","","0.0534","0.0391","","","0.0854","0.0919","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502111","12.146","0.0016","12.8011","0.0015","18.387","0.003","90","","90","","90","","2858.9","0.7","220","2","220","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","Ushakov, Dmitry B.; Navickas, Vaidotas; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Sasse, Florenz; Maier, Martin E.","Total synthesis and biological evaluation of (-)-9-deoxy-englerin A.","Organic letters","2011","13","8","2090","2093","10.1021/ol200499t","","","0.71073","MoKα","","0.0433","0.03","","","0.0546","0.0567","","","","","","0.851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502112","7.5572","0.0008","8.5747","0.0009","17.595","0.003","90","","90","","90","","1140.2","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Ushakov, Dmitry B.; Navickas, Vaidotas; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Sasse, Florenz; Maier, Martin E.","Total synthesis and biological evaluation of (-)-9-deoxy-englerin A.","Organic letters","2011","13","8","2090","2093","10.1021/ol200499t","","","0.71073","MoKα","","0.0559","0.0504","","","0.1219","0.1251","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502113","15.7827","0.0007","15.7827","0.0007","8.2365","0.0007","90","","90","","90","","2051.7","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C41 H52 O5 S4 -","- C41 H36 O5 S4 -","- C82 H72 O10 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1072","0.1021","","","0.2658","0.2874","","","","","","1.167","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502114","15.8115","0.0011","15.8115","0.0011","8.2875","0.0012","90","","90","","90","","2071.9","0.4","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H54 O5 S4 -","- C42 H32 O5 S4 -","- C84 H64 O10 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1078","0.0975","","","0.2933","0.3189","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502115","15.7986","0.0009","15.7986","0.0009","8.5474","0.001","90","","90","","90","","2133.4","0.3","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C43 H56 O5 S4 -","- C43.04 H32 O5 S4 -","- C86.08 H64 O10 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1298","0.1216","","","0.3761","0.4127","","","","","","2.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502116","15.8002","0.0007","15.8002","0.0007","8.3491","0.0007","90","","90","","90","","2084.3","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H52 O6 S4 -","- C42 H36 O6 S4 -","- C84 H72 O12 S8 -","2","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1124","0.105","","","0.3192","0.3539","","","","","","1.682","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502117","15.401","0.008","15.401","0.008","21.204","0.01","90","","90","","90","","5029","4","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C49 H66 O10 S4 -","- C49 H30 O10 S4 -","- C196 H120 O40 S16 -","4","0.125","","Morohashi, Naoya; Noji, Shintaro; Nakayama, Hiroko; Kudo, Yasutaka; Tanaka, Shinya; Kabuto, Chizuko; Hattori, Tetsutaro","Unique inclusion properties of crystalline powder p-tert-butylthiacalix[4]arene toward alcohols and carboxylic acids.","Organic letters","2011","13","13","3292","3295","10.1021/ol200506p","","","0.71073","MoKα","","0.1152","0.1094","","","0.2935","0.2993","","","","","","1.162","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502118","11.1147","0.0006","6.7725","0.0003","14.8896","0.0011","90","","108.29","0.004","90","","1064.18","0.11","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H25 N O S Si -","- C22 H25 N O S Si -","- C44 H50 N2 O2 S2 Si2 -","2","1","","Vyas, Devendra J.; Fröhlich, Roland; Oestreich, Martin","Activation of the Si-B linkage: copper-catalyzed addition of nucleophilic silicon to imines.","Organic letters","2011","13","8","2094","2097","10.1021/ol200509c","","","1.54178","CuKα","","0.0449","0.0412","","","0.0982","0.1016","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502119","13.2943","0.0007","7.4099","0.0004","27.6216","0.0014","90","","90","","90","","2721","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N3 -","- C16 H17 N3 -","- C128 H136 N24 -","8","1","","Kumar, Rapolu Kiran; Ali, Md Ashif; Punniyamurthy, Tharmalingam","Pd-catalyzed C-H activation/C-N bond formation: a new route to 1-aryl-1H-benzotriazoles.","Organic letters","2011","13","8","2102","2105","10.1021/ol200523a","","","0.71073","MoKα","","0.0952","0.0497","","","0.1191","0.1369","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502120","6.366","0.004","22.34","0.014","9.457","0.006","90","","96.44","0.01","90","","1336.5","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 Si2 -","- C30 H26 O2 Si2 -","- C60 H52 O4 Si4 -","2","0.5","","Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.","Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.","Organic letters","2011","13","8","2106","2109","10.1021/ol200525g","","","0.71073","MoKα","","0.1309","0.0764","","","0.1628","0.1876","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502121","7.419","0.003","7.535","0.003","16.904","0.006","87.087","0.006","82.826","0.006","79.38","0.006","921.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","1","0.5","","Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.","Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.","Organic letters","2011","13","8","2106","2109","10.1021/ol200525g","","","0.71073","MoKα","","0.0744","0.0553","","","0.1412","0.1587","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502122","9.047","0.0011","10.1467","0.0012","13.3148","0.0016","79.768","0.002","78.065","0.002","69.549","0.002","1113","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H38 O2 Si2 -","- C60 H38 O2 Si2 -","- C60 H38 O2 Si2 -","1","0.5","","Rose, Bradley D.; Chase, Daniel T.; Weber, Christopher D.; Zakharov, Lev N.; Lonergan, Mark C.; Haley, Michael M.","Synthesis, crystal structures, and photophysical properties of electron-accepting diethynylindenofluorenediones.","Organic letters","2011","13","8","2106","2109","10.1021/ol200525g","","","0.71073","MoKα","","0.0597","0.0469","","","0.1188","0.1301","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502123","10.5159","0.0007","12.1257","0.0008","12.5652","0.0008","86.115","0.001","75.775","0.001","74.108","0.001","1493.73","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 Cl2 N O6 P -","- C33 H26 Cl2 N O6 P -","- C66 H52 Cl4 N2 O12 P2 -","2","1","","Deng, Jie-Cheng; Chuang, Shih-Ching","Three-component and nonclassical reaction of phosphines with enynes and aldehydes: formation of γ-lactones featuring α-phosphorus ylides.","Organic letters","2011","13","9","2248","2251","10.1021/ol200527t","","","0.71073","MoKα","","0.053","0.0438","","","0.1111","0.1194","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502124","14.2399","0.0015","8.1577","0.0009","15.2401","0.0016","90","","94.049","0.005","90","","1765.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1114","0.0625","","","0.1716","0.1937","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502125","7.531","0.0009","13.2092","0.0014","25.014","0.003","91.805","0.005","91.456","0.005","95.53","0.005","2474.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 I N3 O2 -","- C29 H22 I N3 O2 -","- C116 H88 I4 N12 O8 -","4","2","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1498","0.0593","","","0.1034","0.1198","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502126","17.8364","0.0019","13.0324","0.0014","21.83","0.003","90","","99.141","0.005","90","","5010","1","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 I2 N6 O4 -","- C58 H44 I2 N6 O4 -","- C232 H176 I8 N24 O16 -","4","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1673","0.0713","","","0.1437","0.1663","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502127","11.1705","0.0012","25.888","0.003","9.2658","0.001","90","","95.121","0.005","90","","2668.8","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 I2 N3 O2 -","- C29 H21 I2 N3 O2 -","- C116 H84 I8 N12 O8 -","4","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.094","0.0516","","","0.1078","0.1205","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502128","25.06","0.003","8.2435","0.0009","23.26","0.003","90","","91.409","0.005","90","","4803.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N3 O2.5 -","- C29 H24 N3 O2.5 -","- C232 H192 N24 O20 -","8","2","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1903","0.0678","","","0.1355","0.163","","","","","","0.939","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1502129","13.4654","0.0014","14.177","0.0015","18.8934","0.0019","72.059","0.005","73.5","0.005","64.793","0.005","3055.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H69 Cl4 N11 O5 Zn2 -","- C46 H34 Cl4 N6 Zn2 -","- C92 H68 Cl8 N12 Zn4 -","2","1","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.1129","0.0716","","","0.1905","0.2067","","","","","","0.941","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502130","30.119","0.004","20.405","0.003","16.284","0.0017","90","","100.895","0.005","90","","9827","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H68 Cu4 N20 O28 -","- C92 H68 Cu4 N20 O28 -","- C368 H272 Cu16 N80 O112 -","4","0.5","","Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns.","Organic letters","2011","13","9","2260","2262","10.1021/ol200532t","","","0.71073","MoKα","","0.0984","0.088","","","0.2543","0.2662","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502131","8.4451","0.0003","10.5706","0.0004","11.3837","0.0006","73.5179","0.0016","74.6237","0.0014","73.8917","0.001","916.83","0.07","173.1","","173.1","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Cl Ir N O -","- C21 H23 Cl Ir N O -","- C42 H46 Cl2 Ir2 N2 O2 -","2","1","","Fujita, Ken-ichi; Yoshida, Tetsuya; Imori, Yoichiro; Yamaguchi, Ryohei","Dehydrogenative oxidation of primary and secondary alcohols catalyzed by a Cp*Ir complex having a functional C,N-chelate ligand.","Organic letters","2011","13","9","2278","2281","10.1021/ol2005424","","","0.71075","MoKα","","","0.0235","","","","0.0325","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502132","5.0939","0.0004","11.4983","0.001","12.4598","0.0011","113.914","0.001","99.967","0.002","95.827","0.002","645.01","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C26 H28 N4 O8 -","2","1","","Singh, Anand; Roth, Gregory P.","A [3+2] dipolar cycloaddition route to 3-hydroxy-3-alkyl oxindoles: an approach to pyrrolidinoindoline alkaloids.","Organic letters","2011","13","8","2118","2121","10.1021/ol200547m","","","0.71073","MoKα","","0.0394","0.0359","","","0.0937","0.0967","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502133","10.774","0.0006","14.2273","0.0008","19.8345","0.0011","90","","90","","90","","3040.3","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Br N2 O7 -","- C32 H29 Br N2 O7 -","- C128 H116 Br4 N8 O28 -","4","1","","Duan, Shu-Wen; An, Jing; Chen, Jia-Rong; Xiao, Wen-Jing","Facile synthesis of enantioenriched Cγ-tetrasubstituted α-amino acid derivatives via an asymmetric nucleophilic addition/protonation cascade.","Organic letters","2011","13","9","2290","2293","10.1021/ol200550y","","","0.71073","MoKα","","0.0752","0.0438","","","0.1119","0.126","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502134","9.705","0.004","23.07","0.009","10.283","0.004","90","","113.342","0.004","90","","2113.9","1.5","173.1","","173.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro[6,10-dimethyl-15b-phosphanaphtho [1,8-ab]perylene-kappaP15b] gold(I)","","","- C28 H19 Au Cl P -","- C28 H19 Au Cl P -","- C112 H76 Au4 Cl4 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0471","0.0341","","","","0.0711","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502135","8.854","0.003","17.03","0.005","12.111","0.004","90","","96.124","0.005","90","","1815.7","1","173.1","","173.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","15b-(thiophospha)naphtho[1,8-ab]perylene","","","- C26 H15 P S -","- C26 H15 P S -","- C104 H60 P4 S4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0836","0.0478","","","","0.0979","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502136","9.4741","0.0017","12.37","0.003","17.179","0.004","90","","90","","90","","2013.3","0.8","173.1","","173.1","","","","","","","","","4","P n a 21","P 2c -2n","33","6,10-dimethyl-15b-(thiophospha)naphtho[1,8-ab]perylene","","","- C28 H19 P S -","- C28 H19 P S -","- C112 H76 P4 S4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0252","0.0233","","","","0.055","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502137","8.1709","0.0008","11.9296","0.0008","20.3704","0.0018","90.222","0.003","93.98","0.005","91.528","0.008","1980.1","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","15b-thiophospha-3,4,12,13-tetrahydroacenaphtho[5,6-ab]cyclopenta[lm]perylene","","","- C30 H19 P S -","- C30 H19 P S -","- C120 H76 P4 S4 -","4","2","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.71075","MoKα","","0.1658","0.0937","","","0.201","0.2419","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502138","7.2044","0.0015","20.622","0.004","13.225","0.003","90","","102.745","0.003","90","","1916.4","0.7","173.1","","173.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6,10-dimethyl-15b-(oxophospha)naphtho[1,8-ab]perylene","","","- C28 H19 O P -","- C28 H19 O P -","- C112 H76 O4 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0559","0.0473","","","","0.1429","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502139","11.8709","0.0017","18.0107","0.0017","9.9332","0.0015","90","","117.349","0.0087","90","","1886.4","0.5","80","","80","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","6,10-dimethyl-15b-phosphanaphtho[1,8-ab]perylene","","","- C28 H19 P -","- C28 H19 P -","- C112 H76 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","powder diffraction","","1.3","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502140","8.8401","0.0013","13.1944","0.0019","15.906","0.002","95.193","0.007","98.155","0.007","96.746","0.007","1812.9","0.4","143","1","143","1","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","2","","Cheng, Kevin; Carroll, Patrick J.; Walsh, Patrick J.","Diasteroselective preparation of cyclopropanols using methylene bis(iodozinc).","Organic letters","2011","13","9","2346","2349","10.1021/ol200597h","","","0.71073","MoKα","","0.0526","0.042","","","0.0993","0.1047","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502141","23.306","0.007","5.8518","0.0019","17.515","0.006","90","","91.215","0.005","90","","2388.2","1.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Br N O2 -","- C28 H26 Br N O2 -","- C112 H104 Br4 N4 O8 -","4","1","","Cao, Ziping; Liu, Yilin; Liu, Zhaoqun; Feng, Xiangqing; Zhuang, Minyang; Du, Haifeng","Pd-catalyzed asymmetric allylic alkylation of indoles and pyrroles by chiral alkene-phosphine ligands.","Organic letters","2011","13","9","2164","2167","10.1021/ol200602x","","","0.71073","MoKα","","0.0465","0.0411","","","0.0973","0.1078","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502142","9.7809","0.0004","15.4141","0.0006","13.4965","0.0005","90","","97.714","0.001","90","","2016.37","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Br N2 Rh -","- C21 H30 Br N2 Rh -","- C84 H120 Br4 N8 Rh4 -","4","1","","Kim, Hyun Jin; Kim, Min; Chang, Sukbok","Rhodium(NHC)-catalyzed O-arylation of aryl bromides.","Organic letters","2011","13","9","2368","2371","10.1021/ol200603c","","","0.71073","MoKα","","0.0958","0.05","","","0.1108","0.1846","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502143","9.6818","0.0004","14.3637","0.0005","15.1077","0.0006","90","","90","","90","","2100.97","0.14","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Bentley, Scott A.; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Conjugate addition of lithium N-phenyl-N-(α-methylbenzyl)amide: application to the asymmetric synthesis of (R)-(-)-angustureine.","Organic letters","2011","13","10","2544","2547","10.1021/ol200625h","","","0.71073","MoKα","","0.0399","0.0362","","0.0904","0.0883","0.0904","","","","","","1.0132","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502144","5.997","0.006","19.04","0.019","14.366","0.015","90","","90.985","0.013","90","","1640","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Ren, Hui; Luo, Yong; Ye, Shengqing; Wu, Jie","Silver triflate catalyzed reaction of 2-alkynylbenzaldoxime with aryne.","Organic letters","2011","13","10","2552","2555","10.1021/ol200629y","","","0.71073","MoKα","","0.0601","0.0547","","","0.1426","0.1457","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502145","8.42633","0.00015","25.5835","0.0005","27.259","0.0005","80.7938","0.0016","85.1722","0.0015","83.6729","0.0015","5752.06","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O S3 -","- C21 H22 O S3 -","- C252 H264 O12 S36 -","12","6","","Nielsen, Christian B.; Fraser, Jamie M.; Schroeder, Bob C.; Du, Junping; White, Andrew J. P.; Zhang, Weimin; McCulloch, Iain","Benzotrithiophene‒a planar, electron-rich building block for organic semiconductors.","Organic letters","2011","13","9","2414","2417","10.1021/ol200643z","","","1.54184","CuKα","","0.1304","0.1193","","","0.2702","0.2744","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502146","8.066","0.005","8.898","0.005","34.816","0.005","90","0.005","90","0.005","90","0.005","2499","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O8 -","- C24 H25 Br N2 O8 -","- C96 H100 Br4 N8 O32 -","4","1","","Cheng, Mou-Nuo; Wang, Hao; Gong, Liu-Zhu","Asymmetic organocatalytic 1,3-dipolar cycloaddition of azomethine ylide to methyl 2-(2-nitrophenyl)acrylate for the synthesis of diastereoisomers of spirotryprostatin A.","Organic letters","2011","13","9","2418","2421","10.1021/ol200652j","","","0.71073","MoKα","","0.092","0.0499","","","0.1274","0.132","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502147","13.6059","0.0004","12.3268","0.0003","20.1794","0.0006","90","","105.299","0.002","90","","3264.5","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H17 F10 N3 -","- C40 H17 F10 N3 -","- C160 H68 F40 N12 -","4","1","","Anju, K. S.; Ramakrishnan, S.; Srinivasan, A.","meso-Aryl triphyrin(2.1.1).","Organic letters","2011","13","9","2498","2501","10.1021/ol200668a","","","0.71073","MoKα","","0.0994","0.0533","","","0.1546","0.1945","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502148","10.424","0.019","16.83","0.003","7.934","0.015","90","","94.025","0.019","90","","1388","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Qian, Bo; Xie, Pan; Xie, Yinjun; Huang, Hanmin","Iron-catalyzed direct alkenylation of 2-substituted azaarenes with N-sulfonyl aldimines via C-H bond activation.","Organic letters","2011","13","10","2580","2583","10.1021/ol200684b","","","0.71073","MoKα","","0.0895","0.0468","","","0.1035","0.1246","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502149","14.897","0.002","7.9148","0.0013","14.525","0.002","90","","90","","90","","1712.6","0.4","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H21 Br N2 O2 S -","- C15 H21 Br N2 O2 S -","- C60 H84 Br4 N8 O8 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.0763","0.0446","","","0.096","0.1067","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502150","9.2012","0.0005","10.9019","0.0006","20.4358","0.0011","90","","101.081","0.001","90","","2011.71","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O4 S -","- C22 H19 N3 O4 S -","- C88 H76 N12 O16 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.0459","0.0414","","","0.109","0.1126","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502151","14.8341","0.001","8.296","0.0006","15.3758","0.001","90","","109.739","0.001","90","","1781","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O2 S -","- C19 H26 N2 O2 S -","- C76 H104 N8 O8 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.04","0.0377","","","0.1026","0.1045","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502152","8.1392","0.001","9.2199","0.0011","10.1987","0.0012","101.018","0.001","99.441","0.001","93.082","0.001","738.19","0.15","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N3 O2 S -","- C14 H19 N3 O2 S -","- C28 H38 N6 O4 S2 -","2","1","","Meza-Aviña, Maria Elena; Patel, Mudita Kishor; Lee, Cylivia B.; Dietz, Thomas J.; Croatt, Mitchell P.","Selective formation of 1,5-substituted sulfonyl triazoles using acetylides and sulfonyl azides.","Organic letters","2011","13","12","2984","2987","10.1021/ol200696q","","","0.71073","MoKα","","0.044","0.0411","","","0.1115","0.1146","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502153","16.766","0.016","9.077","0.008","12.502","0.012","90","","107.494","0.01","90","","1815","3","103","","103","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H22 F3 N O3 S -","- C17 H22 F3 N O3 S -","- C68 H88 F12 N4 O12 S4 -","4","1","","Yoshida, Akiko; Hattori, Gaku; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic amination of nonaromatic propargylic esters with amines.","Organic letters","2011","13","9","2460","2463","10.1021/ol200703g","","","0.7107","MoKα","","","0.045","","","","0.0747","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502154","8.9833","0.0002","10.722","0.0003","13.0616","0.0004","90","","90","","90","","1258.08","0.06","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl N -","- C13 H18 Cl N -","- C52 H72 Cl4 N4 -","4","1","","Yoshida, Akiko; Hattori, Gaku; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic amination of nonaromatic propargylic esters with amines.","Organic letters","2011","13","9","2460","2463","10.1021/ol200703g","","","0.71075","MoKα","","","0.0229","","","","0.062","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502155","10.1029","0.0002","12.3851","0.0002","30.521","0.0006","90","","90","","90","","3818.95","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C192 H168 O36 -","12","3","","Hodgson, David M.; Talbot, Eric P. A.; Clark, Barry P.","Stereoselective synthesis of β-(hydroxymethylaryl/alkyl)-α-methylene-γ-butyrolactones.","Organic letters","2011","13","10","2594","2597","10.1021/ol200711f","","","1.54178","CuKα","","0.0404","0.0364","","","0.0964","0.1004","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502156","5.0952","0.0003","9.0989","0.0006","15.5967","0.001","90","","94.019","0.001","90","","721.3","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C34 H32 Cl2 N2 O2 -","2","1","","Klauber, Eric G.; Mittal, Nisha; Shah, Tejas K.; Seidel, Daniel","A dual-catalysis/anion-binding approach to the kinetic resolution of allylic amines.","Organic letters","2011","13","9","2464","2467","10.1021/ol200712b","","","0.71073","MoKα","","0.0374","0.0359","","","0.0889","0.0899","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502157","5.768","0.002","16.473","0.006","18.703","0.007","90","","92.573","0.004","90","","1775.3","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 I N -","- C22 H16 I N -","- C88 H64 I4 N4 -","4","1","","Ali, Shaukat; Zhu, Hai-Tao; Xia, Xiao-Feng; Ji, Ke-Gong; Yang, Yan-Fang; Song, Xian-Rong; Liang, Yong-Min","Electrophile-driven regioselective synthesis of functionalized quinolines.","Organic letters","2011","13","10","2598","2601","10.1021/ol2007154","","","0.71073","MoKα","","0.0704","0.0411","","","0.066","0.0744","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502158","9.8593","0.0005","11.3699","0.0006","11.6474","0.0006","67.803","0.004","76.579","0.004","89.515","0.004","1171.33","0.11","291","2","291","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H24 N2 O3 S2 -","- C24 H24 N2 O3 S2 -","- C48 H48 N4 O6 S4 -","2","2","","Chen, Wen-Bing; Wu, Zhi-Jun; Hu, Jing; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic direct asymmetric aldol reactions of 3-isothiocyanato oxindoles to ketones: stereocontrolled synthesis of spirooxindoles bearing highly congested contiguous tetrasubstituted stereocenters.","Organic letters","2011","13","9","2472","2475","10.1021/ol200724q","","","1.54184","CuKα","","0.0468","0.0443","","","0.1231","0.1272","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502159","6.8788","0.0004","11.8664","0.0007","28.2929","0.0016","90","","92.305","0.001","90","","2307.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C112 H108 N4 O24 -","4","1","","Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey","Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.","Organic letters","2011","13","10","2614","2617","10.1021/ol200725m","","","0.71073","MoKα","","0.0694","0.0646","","","0.161","0.1649","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502160","9.2454","0.0008","9.7345","0.0008","12.6526","0.001","92.626","0.002","90.209","0.002","90.577","0.002","1137.46","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C56 H54 N2 O12 -","2","1","","Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey","Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.","Organic letters","2011","13","10","2614","2617","10.1021/ol200725m","","","0.71073","MoKα","","0.0801","0.0582","","","0.1155","0.1256","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502161","30.462","0.002","13.2317","0.0008","7.6817","0.0005","90","","95.312","0.004","90","","3082.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C160 H176 O16 -","8","2","","Fenster, Erik; Fehl, Charlie; Aubé, Jeffrey","Use of a tandem Prins/Friedel-Crafts reaction in the construction of the indeno-tetrahydropyridine core of the haouamine alkaloids: formal synthesis of (-)-haouamine A.","Organic letters","2011","13","10","2614","2617","10.1021/ol200725m","","","1.54178","CuKα","","0.1104","0.0971","","","0.2769","0.2837","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502162","32.487","0.003","7.6214","0.0008","10.9285","0.0011","90","","90","","90","","2705.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C56 H84 N4 O20 -","- C56 H80.02 N4 O20 -","- C112 H160.04 N8 O40 -","2","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0849","0.0532","","","0.1053","0.1295","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502163","30.274","0.003","12.6304","0.0013","9.3737","0.001","90","","97.186","0.002","90","","3556.1","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H56 N2 O2 -","- C38 H56 N2 O2 -","- C152 H224 N8 O8 -","4","1","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0772","0.0576","","","0.1437","0.1619","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502164","16.953","0.002","20.663","0.003","11.0738","0.0016","90","","107.751","0.002","90","","3694.5","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H56 Cu N2 O2.5 -","- C38 H54 Cu N2 O2 -","- C152 H216 Cu4 N8 O8 -","4","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0561","0.0452","","","0.1152","0.1211","","","","","","1.078","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502165","16.768","0.003","20.434","0.003","11.1052","0.0018","90","","107.415","0.003","90","","3630.6","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 N2 Ni O2 -","- C38 H54 N2 Ni O2 -","- C152 H216 N8 Ni4 O8 -","4","0.5","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0641","0.0487","","","0.1085","0.1161","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502166","14.0325","0.0015","10.2155","0.0011","26.161","0.003","90","","102.382","0.001","90","","3662.9","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.5 H57 N2 O2.5 Pd -","- C39.5 H57 N2 O2.5 Pd -","- C158 H228 N8 O10 Pd4 -","4","2","","White, James D.; Shaw, Subrata","cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes.","Organic letters","2011","13","9","2488","2491","10.1021/ol2007378","","","0.71073","MoKα","","0.0339","0.0306","","","0.0673","0.0696","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502167","25.618","0.005","11.614","0.002","13.245","0.003","90","","99.86","0.03","90","","3882.5","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 O3 Si -","- C18 H34 O3 Si -","- C144 H272 O24 Si8 -","8","1","","Xu, Tao; Li, Chuang-chuang; Yang, Zhen","A concise approach for the total synthesis of pseudolaric acid A.","Organic letters","2011","13","10","2630","2633","10.1021/ol200741j","","","0.71073","MoKα","","0.078","0.0458","","","0.0953","0.0992","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502168","12.112","0.002","18.039","0.004","16.191","0.003","90","","94.77","0.03","90","","3525.3","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N2 S2 Si2 -","- C34 H46 N2 S2 Si2 -","- C136 H184 N8 S8 Si8 -","4","1","","Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian","Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.","Organic letters","2011","13","10","2642","2645","10.1021/ol200748c","","","0.71073","MoKα","","0.0922","0.0433","","","0.0637","0.0703","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502169","7.7416","0.0015","13.653","0.003","17.403","0.004","96.55","0.03","96.65","0.03","101.67","0.03","1771.3","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 S2 Si2 -","- C38 H48 N2 S2 Si2 -","- C76 H96 N4 S4 Si4 -","2","1","","Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian","Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.","Organic letters","2011","13","10","2642","2645","10.1021/ol200748c","","","0.71073","MoKα","","0.1777","0.0737","","","0.1645","0.1964","","","","","","0.826","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502170","6.7507","0.0019","13.625","0.004","33.905","0.01","85.906","0.008","89.31","0.009","83.324","0.008","3089.5","1.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 S2 Si2 -","- C32 H36 N2 S2 Si2 -","- C128 H144 N8 S8 Si8 -","4","2","","Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian","Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.","Organic letters","2011","13","10","2642","2645","10.1021/ol200748c","","","0.71073","MoKα","","0.1358","0.1216","","","0.3056","0.3146","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502171","10.3359","0.0006","14.861","0.001","19.5709","0.0011","90","","90","","90","","3006.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N O3 -","- C38 H39 N O3 -","- C152 H156 N4 O12 -","4","1","","Luan, Yi; Schaus, Scott E.","Multicomponent Mannich reactions with boron enolates derived from diazo esters and 9-BBN.","Organic letters","2011","13","9","2510","2513","10.1021/ol200766t","","","0.71073","MoKα","","0.0665","0.0437","","","0.084","0.0929","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502172","6.0074","0.0001","19.0009","0.0004","15.4033","0.0004","90","","90.4817","0.001","90","","1758.16","0.07","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O S -","- C20 H28 O S -","- C80 H112 O4 S4 -","4","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.065","0.0451","","","0.1184","0.1276","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502173","12.688","0.003","13.956","0.003","13.485","0.003","90","","113.862","0.002","90","","2183.7","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O S -","- C24 H36 O S -","- C96 H144 O4 S4 -","4","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.072","0.0457","","","0.1032","0.1143","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502174","5.954","0.0018","14.788","0.004","9.915","0.003","90","","92.977","0.005","90","","871.8","0.4","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","0.5","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0656","0.0461","","","0.1125","0.1209","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502175","12.824","0.002","11.2004","0.0016","14.99","0.002","90","","101.963","0.002","90","","2106.3","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O2 -","- C24 H36 O2 -","- C96 H144 O8 -","4","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0624","0.0496","","","0.1285","0.1365","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502176","5.9123","0.0018","9.604","0.003","16.264","0.005","102.265","0.005","94.527","0.005","97.214","0.004","889.9","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 O S -","- C20 H30 O S -","- C40 H60 O2 S2 -","2","1","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0665","0.0464","","","0.1197","0.1341","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502177","9.585","0.002","15.461","0.003","23.811","0.005","90","","90","","90","","3528.6","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H58 O2 S2 -","- C40 H58 O2 S2 -","- C160 H232 O8 S8 -","4","0.5","","Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.","Organic letters","2011","13","10","2666","2669","10.1021/ol200768b","","","0.71073","MoKα","","0.0884","0.072","","","0.1249","0.1321","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502178","11.481","0.004","15.622","0.006","12.848","0.005","90","","92.794","0.006","90","","2301.6","1.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H31 O10.5 -","- C23 H31 O10.5 -","- C92 H124 O42 -","4","2","","Li, Jian; Li, Li; Si, Yikang; Jiang, Xuejun; Guo, Liangdong; Che, Yongsheng","Virgatolides A‒C, Benzannulated Spiroketals from the Plant Endophytic Fungus Pestalotiopsis virgatula","Organic letters","2011","13","10","2670","2673","10.1021/ol200770k","","","0.71073","MoKα","","0.0539","0.0469","","","0.1051","0.1081","","","","","","1.081","","","","has coordinates","210328","2020-10-21","18:00:00",""
"1502179","5.8625","0.0003","14.4664","0.0007","14.8726","0.0007","90","","98.613","0.003","90","","1247.11","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N O S -","- C13 H21 N O S -","- C52 H84 N4 O4 S4 -","4","1","","Glass, Richard S.; Schöneich, Christian; Wilson, George S.; Nauser, Thomas; Yamamoto, Takuhei; Lorance, Edward; Nichol, Gary S.; Ammam, Malika","Neighboring pyrrolidine amide participation in thioether oxidation. Methionine as a ""hopping"" site.","Organic letters","2011","13","11","2837","2839","10.1021/ol200793z","","","0.71073","MoKα","","0.0466","0.0332","","","0.0844","0.092","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502180","3.9157","0.0002","11.6386","0.0005","29.2309","0.0011","90","","91.618","0.002","90","","1331.62","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","","Luo, Tuoping; Dai, Mingji; Zheng, Shao-Liang; Schreiber, Stuart L.","Syntheses of α-pyrones using gold-catalyzed coupling reactions.","Organic letters","2011","13","11","2834","2836","10.1021/ol200794w","","","1.54178","CuKα","","0.078","0.0719","","","0.2025","0.2069","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502181","16.095","0.002","7.1088","0.0009","7.0468","0.0009","90","","102.5","0.007","90","","787.16","0.17","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C44 H32 O4 -","2","1","","Luo, Tuoping; Dai, Mingji; Zheng, Shao-Liang; Schreiber, Stuart L.","Syntheses of α-pyrones using gold-catalyzed coupling reactions.","Organic letters","2011","13","11","2834","2836","10.1021/ol200794w","","","1.54178","CuKα","","0.0647","0.0621","","","0.1608","0.1636","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502182","8.4027","0.0013","13.081","0.002","13.958","0.002","90","","99.794","0.003","90","","1511.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 B2 F4 N4 -","- C36 H32 B2 F4 N4 -","- C72 H64 B4 F8 N8 -","2","0.5","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71073","MoKα","","0.0677","0.0573","","","0.1619","0.171","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502183","7.602","0.002","24.077","0.006","14.334","0.004","90","","102.602","0.005","90","","2560.4","1.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 B F2 N4 O4 -","- C30 H23 B F2 N4 O4 -","- C120 H92 B4 F8 N16 O16 -","4","1","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71073","MoKα","","0.0881","0.0605","","","0.1337","0.1484","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502184","57.842","0.005","7.955","0.005","29.332","0.005","90","0.005","113.676","0.005","90","0.005","12361","8","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C138 H140 B4 Cl6 F8 N16 -","- C138 H140 B4 Cl6 F8 N16 -","- C552 H560 B16 Cl24 F32 N64 -","4","0.5","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71069","MoKα","","0.1571","0.0545","","","0.116","0.1536","","","","","","0.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502185","7.676","0.005","24.661","0.005","14.676","0.005","90","0.005","100.684","0.005","90","0.005","2730","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 B F2 N4 O2 -","- C32 H29 B F2 N4 O2 -","- C128 H116 B4 F8 N16 O8 -","4","1","","Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi","Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.","Organic letters","2011","13","12","2992","2995","10.1021/ol200799u","","","0.71069","MoKα","","0.146","0.0794","","","0.1503","0.1739","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502186","49.52","0.06","4.861","0.006","40.62","0.05","90","","116.289","0.015","90","","8767","19","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 O -","- C23 H14 O -","- C552 H336 O24 -","24","3","","Xiao, Jinchong; Yang, Bo; Wong, Jen It; Liu, Yi; Wei, Fengxia; Tan, Ke Jie; Teng, Xue; Wu, Yuechao; Huang, Ling; Kloc, Christian; Boey, Freddy; Ma, Jan; Zhang, Hua; Yang, Hui Ying; Zhang, Qichun","Synthesis, characterization, self-assembly, and physical properties of 11-methylbenzo[d]pyreno[4,5-b]furan.","Organic letters","2011","13","12","3004","3007","10.1021/ol2008186","","","0.71073","MoKα","","0.1504","0.0788","","","0.2083","0.2513","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502187","5.7541","0.0003","12.5905","0.0007","28.0403","0.0015","90","","90","","90","","2031.44","0.19","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C88 H88 Br8 O16 -","8","2","","Tan, Chong Kiat; Zhou, Ling; Yeung, Ying-Yeung","Aminothiocarbamate-catalyzed asymmetric bromolactonization of 1,2-disubstituted olefinic acids.","Organic letters","2011","13","10","2738","2741","10.1021/ol200840e","","","0.71073","MoKα","","0.0438","0.0352","","","0.0783","0.0811","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502188","6.423","0.0004","7.4429","0.0005","17.9557","0.0012","90","","90.051","0.006","90","","858.39","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C42 H44 O4 S2 -","2","1","","Thaler, Tobias; Guo, Li-Na; Steib, Andreas K.; Raducan, Mihai; Karaghiosoff, Konstantin; Mayer, Peter; Knochel, Paul","Sulfoxide-alkene hybrids: a new class of chiral ligands for the Hayashi-Miyaura reaction.","Organic letters","2011","13","12","3182","3185","10.1021/ol200841x","","","0.71073","MoKα","","0.0516","0.0407","","","0.0894","0.0921","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502189","6.4067","0.0002","13.1037","0.0004","21.1126","0.0006","90","","90","","90","","1772.43","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C84 H88 O8 S4 -","4","1","","Thaler, Tobias; Guo, Li-Na; Steib, Andreas K.; Raducan, Mihai; Karaghiosoff, Konstantin; Mayer, Peter; Knochel, Paul","Sulfoxide-alkene hybrids: a new class of chiral ligands for the Hayashi-Miyaura reaction.","Organic letters","2011","13","12","3182","3185","10.1021/ol200841x","","","0.71073","MoKα","","0.0373","0.0316","","","0.072","0.075","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502190","12.9107","0.0004","15.5761","0.0004","17.5681","0.0004","90","","94.303","0.0015","90","","3522.96","0.16","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 B2 N O6 -","- C35 H51 B2 N O6 -","- C140 H204 B8 N4 O24 -","4","1","","Battagliarin, Glauco; Li, Chen; Enkelmann, Volker; Müllen, Klaus","2,5,8,11-Tetraboronic ester perylenediimides: a next generation building block for dye-stuff synthesis.","Organic letters","2011","13","12","3012","3015","10.1021/ol2008457","","","0.71073","MoKα","","0.0957","0.069","","0.0961","0.0794","0.0794","","","","","","1.0304","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502191","15.6","0.002","15.6","0.002","33.184","0.007","90","","90","","120","","6993.7","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C60 H42 N4 O4.5 -","- C60 H42 N4 O4.5 -","- C360 H252 N24 O27 -","6","0.333333","","Zhou, Ying; Jung, Ji Young; Jeon, Hye Ryeong; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung","A novel supermolecular tetrameric vanadate-selective colorimetric and ""off-on"" sensor with pyrene ligand.","Organic letters","2011","13","10","2742","2745","10.1021/ol200846a","","","0.71073","MoKα","","0.202","0.1018","","","0.3049","0.3796","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502192","10.5344","0.0002","14.9966","0.0003","24.4556","0.0017","90","","96.476","0.007","90","","3838.8","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C184 H160 O32 S8 -","8","2","","Kuninobu, Yoichiro; Matsuzaki, Hironori; Nishi, Mitsumi; Takai, Kazuhiko","Rhenium-catalyzed regio- and stereoselective addition of two carbon units to terminal alkynes via carbon-carbon bond cleavage of β-keto sulfones.","Organic letters","2011","13","11","2959","2961","10.1021/ol2008507","","","1.54187","CuKα","","","0.056","","","","0.0871","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502193","13.2069","0.0007","14.6494","0.0007","15.7541","0.0009","72.654","0.004","76.898","0.004","64.857","0.004","2616","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H48 Cl3 N5 Ni O4 -","- C67 H48 Cl3 N5 Ni O4 -","- C134 H96 Cl6 N10 Ni2 O8 -","2","1","","Jiang, Lin; Engle, James T.; Sirk, Laura; Hartley, C. Scott; Ziegler, Christopher J.; Wang, Hong","Triphenylene-fused porphyrins.","Organic letters","2011","13","12","3020","3023","10.1021/ol200853g","","","1.54178","CuKα","","0.1192","0.0899","","","0.2263","0.2462","","","","","","1.598","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502194","13.96","0.002","14.0133","0.0011","16.0894","0.0013","112.417","0.005","107.325","0.007","97.545","0.007","2668.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H45.65 N5 Ni O4 -","- C66 H45.65 N5 Ni O4 -","- C132 H91.3 N10 Ni2 O8 -","2","1","","Jiang, Lin; Engle, James T.; Sirk, Laura; Hartley, C. Scott; Ziegler, Christopher J.; Wang, Hong","Triphenylene-fused porphyrins.","Organic letters","2011","13","12","3020","3023","10.1021/ol200853g","","","1.54178","CuKα","","0.1262","0.0868","","","0.2548","0.2716","","","","","","1.652","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502195","22.2786","0.0013","13.2257","0.0005","17.1649","0.0011","90","","118.54","0.008","90","","4443.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H58 N2 O10 -","- C54 H58 N2 O10 -","- C216 H232 N8 O40 -","4","0.5","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","1.54178","CuKα","","0.0537","0.0399","","","0.1041","0.1099","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502196","15.8655","0.0006","16.864","0.0007","19.0778","0.0007","69.1","0.004","79.47","0.003","77.127","0.004","4618.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H107 F24 N6 O14.5 P4 -","- C87 H104 F23.988 N6 O14.501 P3.998 -","- C174 H208 F47.976 N12 O29.002 P7.996 -","2","1","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","1.54178","CuKα","","0.088","0.067","","","0.1882","0.2036","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502197","11.2453","0.0003","20.5407","0.0005","32.2584","0.001","90","","99.838","0.003","90","","7341.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71 H82 F12 N4 O13 P2 -","- C71 H82 F12 N4 O13 P2 -","- C284 H328 F48 N16 O52 P8 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","0.71073","MoKα","","0.1045","0.0765","","","0.1912","0.208","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502198","11.8405","0.0003","21.1915","0.0005","14.7699","0.0004","90","","102.588","0.003","90","","3616.95","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H73.04 F12 N4 O10.52 P2 -","- C66 H72 F12 N4 O10.518 P2 -","- C132 H144 F24 N8 O21.036 P4 -","2","0.5","","Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W.","The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives.","Organic letters","2011","13","11","2872","2875","10.1021/ol200862b","","x-ray","1.54178","CuKα","","0.0547","0.0512","","","0.1378","0.141","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502199","8.4887","0.0013","10.4646","0.0016","16.491","0.003","90","","90","","90","","1464.9","0.4","571","2","571","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Wang, Peng-Cheng; Ran, Xin-Hui; Luo, Huai-Rong; Hu, Jiang-Miao; Chen, Rui; Ma, Qing-Yun; Dai, Hao-Fu; Liu, Yu-Qing; Xie, Ming-Jin; Zhou, Jun; Zhao, You-Xing","Volvalerelactones A and B, two new sesquiterpenoid lactones with an unprecedented skeleton from Valeriana officinalis var. latifolia.","Organic letters","2011","13","12","3036","3039","10.1021/ol200878w","","","0.71073","MoKα","","0.0996","0.0542","","","0.1007","0.1191","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502200","13.27","0.004","13.618","0.005","16.073","0.005","90","","90","","90","","2904.6","1.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C120 H184 O24 -","4","1","","Wang, Peng-Cheng; Ran, Xin-Hui; Luo, Huai-Rong; Hu, Jiang-Miao; Chen, Rui; Ma, Qing-Yun; Dai, Hao-Fu; Liu, Yu-Qing; Xie, Ming-Jin; Zhou, Jun; Zhao, You-Xing","Volvalerelactones A and B, two new sesquiterpenoid lactones with an unprecedented skeleton from Valeriana officinalis var. latifolia.","Organic letters","2011","13","12","3036","3039","10.1021/ol200878w","","","0.71073","MoKα","","0.3375","0.0803","","","0.1159","0.1805","","","","","","0.898","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502201","8.6606","0.0004","7.5271","0.0004","11.6989","0.0005","90","","109.834","0.003","90","","717.4","0.06","93.1","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O6 -","- C13 H19 N O6 -","- C26 H38 N2 O12 -","2","1","","Satoh, Nobuhiro; Yokoshima, Satoshi; Fukuyama, Tohru","Total synthesis of (-)-salinosporamide A.","Organic letters","2011","13","12","3028","3031","10.1021/ol200886j","","","1.54187","CuKα","","","0.0537","","","","0.1617","","","","","","1.117","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502202","8.054","0.007","15.351","0.013","17.569","0.015","78.327","0.016","87.401","0.017","88.636","0.014","2125","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H51 Br2 N Si2 -","- C43 H51 Br2 N Si2 -","- C86 H102 Br4 N2 Si4 -","2","1","","Song, Cheng-Li; Ma, Chong-Bo; Yang, Feng; Zeng, Wei-Jing; Zhang, Hao-Li; Gong, Xiong","Synthesis of tetrachloro-azapentacene as an ambipolar organic semiconductor with high and balanced carrier mobilities.","Organic letters","2011","13","11","2880","2883","10.1021/ol2008999","","","0.71073","MoKα","","0.3335","0.0945","","","0.1976","0.2607","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502203","9.1415","0.0008","11.9955","0.0011","12.379","0.0011","114.061","0.002","92.973","0.002","103.834","0.002","1186.34","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","1","","Lage, Marta L.; Fernández, Israel; Sierra, Miguel A.; Torres, M. Rosario","Trapping intermediates in an [8 + 2] cycloaddition reaction with the help of DFT calculations.","Organic letters","2011","13","11","2892","2895","10.1021/ol200910z","","","0.71073","MoKα","","0.0682","0.0385","","","0.0921","0.1045","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502204","5.8864","0.0002","13.4539","0.0004","20.4973","0.0006","90","","90","","90","","1623.28","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","1","","Churches, Quentin I.; White, Jonathan M.; Hutton, Craig A.","Synthesis of β,γ-dihydroxyhomotyrosines by a tandem Petasis-asymmetric dihydroxylation approach.","Organic letters","2011","13","11","2900","2903","10.1021/ol200917s","","","1.5418","CuKα","","0.0356","0.035","","","0.0949","0.0954","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502205","5.004","0.0001","20.1705","0.0004","15.9818","0.0003","90","","96.053","0.002","90","","1604.1","0.05","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","2","","Churches, Quentin I.; White, Jonathan M.; Hutton, Craig A.","Synthesis of β,γ-dihydroxyhomotyrosines by a tandem Petasis-asymmetric dihydroxylation approach.","Organic letters","2011","13","11","2900","2903","10.1021/ol200917s","","","1.5418","CuKα","","0.0513","0.0397","","","0.0806","0.0857","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502206","8.6811","0.0003","13.9912","0.0004","48.0454","0.0015","90","","90","","90","","5835.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O3 Se -","- C23 H19 N O3 Se -","- C276 H228 N12 O36 Se12 -","12","3","","Marcos, Vanesa; Alemán, Jose; Ruano, Jose L Garcia; Marini, Francesca; Tiecco, Marcello","Asymmetric synthesis of α-alkyl α-selenocarbonyl compounds catalyzed by bifunctional organocatalysts.","Organic letters","2011","13","12","3052","3055","10.1021/ol200923p","","","1.54178","CuKα","","0.0287","0.0277","","","0.0673","0.0679","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502207","10.509","","13.97","","10.942","","90","","103","","90","","1565.23","","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","2","","Sanchez Duque, Maria del Mar; Baslé, Olivier; Isambert, Nicolas; Gaudel-Siri, Anouk; Génisson, Yves; Plaquevent, Jean-Christophe; Rodriguez, Jean; Constantieux, Thierry","A Cooperative Participation of the Amido Group in the Organocatalytic Construction of All-Carbon Quaternary Stereocenters by Michael Addition with β-Ketoamides","Organic Letters","2011","13","13","3296","3299","10.1021/ol200924e","","x-ray","0.71073","MoKα","","0.1217","0.08","","","0.1992","0.2363","","","","","","1.055","","","","has coordinates","210329","2020-10-21","18:00:00",""
"1502208","10.487","0.0008","11.7829","0.0008","12.0638","0.0008","90","","90","","90","","1490.69","0.18","293","2","292.85","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","","Zhou, Lin; Lin, Lili; Ji, Jie; Xie, Mingsheng; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric vinylogous Mannich-type (AVM) reaction of nonactivated α-angelica lactone.","Organic letters","2011","13","12","3056","3059","10.1021/ol200939t","","","0.7107","MoKα","","0.065","0.0475","","","0.1031","0.1146","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502209","15.457","0.002","15.457","0.002","42.11","0.008","90","","90","","120","","8713","2","173","2","173","2","","","","","","","","7","P 61","P 61","169","","","","- C43 H56 Cl4 N2 O4 Rh2 S2 -","- C43 H56 Cl4 N2 O4 Rh2 S2 -","- C258 H336 Cl24 N12 O24 Rh12 S12 -","6","1","","Feng, Xiangqing; Wang, Yazhou; Wei, Beibei; Yang, Jing; Du, Haifeng","Simple N-sulfinyl-based chiral sulfur-olefin ligands for rhodium-catalyzed asymmetric 1,4-additions.","Organic letters","2011","13","13","3300","3303","10.1021/ol2009494","","","0.71073","MoKα","","0.0701","0.0646","","","0.166","0.1702","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502210","15.09","0.004","15.095","0.007","15.132","0.004","96.611","0.004","116.223","0.003","108.05","0.004","2808.6","1.7","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C56 H84 O8 -","- C56 H84 O8 -","- C112 H168 O16 -","2","2","","Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A.; Chen, Xueyi; Dias, Jerry Ray","Bile Acid-Based Cage Compounds with Lipophilic Outer Shells and Inner Cavities","Organic Letters","2011","13","12","3064","3067","10.1021/ol200953h","","","0.71073","MoKα","","0.0889","0.0756","","","0.2006","0.2132","","","","","","1.042","","","","has coordinates","210336","2020-10-21","18:00:00",""
"1502211","18.3457","0.0009","24.3333","0.0012","24.9713","0.0012","90","","90","","90","","11147.5","0.9","173","2","173","2","","","","","","","chemical synthesis","4","C 2 2 21","C 2c 2","20","","cyclobis[7-O-(4-pentenoyl)chenodeoxycholate] chloroform-acetone solvate","","- C59.95 H91.375 Cl1.575 O8.475 -","- C59.95 H91.375 Cl1.575 O8.475 -","- C479.6 H731 Cl12.6 O67.8 -","8","1","","Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A; Chen, Xueyi; Dias, Jerry Ray","Bile acid-based cage compounds with lipophilic outer shells and inner cavities.","Organic letters","2011","13","12","3064","3067","10.1021/ol200953h","","","0.71073","MoKα","","0.1299","0.0614","","","0.1296","0.1637","","","","1.127","1.127","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502212","12.322","0.002","10.019","0.002","15.678","0.003","90","","112.203","0.003","90","","1792","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","2","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.12","0.0609","","","0.1431","0.1626","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502213","8.7316","0.0008","11.9598","0.0011","16.9623","0.0015","90","","90","","90","","1771.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O7 -","- C17 H25 N O7 -","- C68 H100 N4 O28 -","4","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.0504","0.0397","","","0.1089","0.1215","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502214","8.7187","0.0002","10.0275","0.0002","12.7718","0.0003","90","","103.938","0.002","90","","1083.72","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O7 -","- C21 H27 N O7 -","- C42 H54 N2 O14 -","2","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","1.54178","CuKα","","0.0561","0.0473","","","0.1449","0.16","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502215","9.897","0.006","11.401","0.008","24.683","0.016","90","","90","","90","","2785","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O8 -","- C31 H29 N O8 -","- C124 H116 N4 O32 -","4","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.1712","0.0781","","","0.1676","0.2127","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502216","9.2743","0.0002","20.2718","0.0004","10.6622","0.0002","90","","90.193","0.001","90","","2004.55","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Wang, Jingqi; Crane, Erika A.; Scheidt, Karl A.","Highly stereoselective Brønsted acid catalyzed synthesis of spirooxindole pyrans.","Organic letters","2011","13","12","3086","3089","10.1021/ol200987c","","","1.54178","CuKα","","0.0377","0.0322","","","0.096","0.1016","","","","","","0.728","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502217","21.881","0.003","21.881","0.003","21.626","0.003","90","","90","","120","","8967","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H32 O2 Si -","- C18 H32 O2 Si -","- C324 H576 O36 Si18 -","18","1","","Lu, Yin-Suo; Peng, Xiao-Shui","A concise construction of the chlorahololide heptacyclic core.","Organic letters","2011","13","11","2940","2943","10.1021/ol2009973","","","0.71073","MoKα","","0.1242","0.0902","","","0.2521","0.2916","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502218","16.731","0.008","12.758","0.006","13.573","0.006","90","","104.046","0.01","90","","2811","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 O3 Si -","- C30 H43 O3 Si -","- C120 H172 O12 Si4 -","4","1","","Lu, Yin-Suo; Peng, Xiao-Shui","A concise construction of the chlorahololide heptacyclic core.","Organic letters","2011","13","11","2940","2943","10.1021/ol2009973","","","0.71073","MoKα","","0.0976","0.0743","","","0.2026","0.2263","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502219","10.3798","0.0009","14.597","0.0014","18.4891","0.0018","90","","90","","90","","2801.4","0.5","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl F O4 -","- C30 H32 Cl F O4 -","- C120 H128 Cl4 F4 O16 -","4","1","","Shibatomi, Kazutaka; Narayama, Akira; Soga, Yoshinori; Muto, Tsubasa; Iwasa, Seiji","Enantioselective gem-chlorofluorination of active methylene compounds using a chiral spiro oxazoline ligand.","Organic letters","2011","13","11","2944","2947","10.1021/ol201007e","","","0.71069","MoKα","","0.0785","0.0631","","","0.147","0.1569","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502220","8.37","0.0012","11.7321","0.0019","12.65","0.002","84.709","0.011","76.761","0.01","81.899","0.009","1194.8","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cl F O4 -","- C11 H10 Cl F O4 -","- C44 H40 Cl4 F4 O16 -","4","2","","Shibatomi, Kazutaka; Narayama, Akira; Soga, Yoshinori; Muto, Tsubasa; Iwasa, Seiji","Enantioselective gem-chlorofluorination of active methylene compounds using a chiral spiro oxazoline ligand.","Organic letters","2011","13","11","2944","2947","10.1021/ol201007e","","x-ray","0.71069","MoKα","","0.0461","0.0414","","","0.1076","0.1123","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502221","15.9696","0.0015","11.2841","0.0011","9.6423","0.001","90","","96.361","0.003","90","","1726.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Br N2 O2 -","- C18 H23 Br N2 O2 -","- C72 H92 Br4 N8 O8 -","4","1","","Hardy, Simon; Martin, Stephen F.","Multicomponent assembly and diversification of novel heterocyclic scaffolds derived from 2-arylpiperidines.","Organic letters","2011","13","12","3102","3105","10.1021/ol201010s","","","0.71075","MoKα","","0.0484","0.0351","","","0.0715","0.0775","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502222","16.431","0.002","9.5653","0.0012","14.1865","0.0015","90","","106.411","0.008","90","","2138.8","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I N2 O2 -","- C23 H27 I N2 O2 -","- C92 H108 I4 N8 O8 -","4","1","","Hardy, Simon; Martin, Stephen F.","Multicomponent assembly and diversification of novel heterocyclic scaffolds derived from 2-arylpiperidines.","Organic letters","2011","13","12","3102","3105","10.1021/ol201010s","","","0.71074","MoKα","","0.1255","0.0799","","","0.175","0.1929","","","","","","1.337","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502223","7.2964","0.0003","13.4415","0.0006","27.0296","0.0012","90","","90","","90","","2650.9","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 F6 N3 O3 -","- C30 H25 F6 N3 O3 -","- C120 H100 F24 N12 O12 -","4","1","","Knight, John D.; Sauer, Scott J.; Coltart, Don M.","Asymmetric total synthesis of the antimalarial drug (+)-mefloquine hydrochloride via chiral N-amino cyclic carbamate hydrazones.","Organic letters","2011","13","12","3118","3121","10.1021/ol2010193","","","0.71073","MoKα","","0.0459","0.0428","","","0.1002","0.1018","","","","","","1.111","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502224","12.1781","0.0003","18.093","0.0004","18.6755","0.0004","94.0274","0.0017","108.251","0.0019","99.0435","0.0017","3827.91","0.16","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H65 F15 N8 Ni O10 -","- C72 H65 F15 N8 Ni O10 -","- C144 H130 F30 N16 Ni2 O20 -","2","1","","Lo, Mamadou; Lefebvre, Jean-François; Leclercq, Dominique; van der Lee, Arie; Richeter, Sébastien","Stepwise fusion of porphyrin β,β'-pyrrolic positions to imidazole rings.","Organic letters","2011","13","12","3110","3113","10.1021/ol2010215","","","0.71073","MoKα","","0.09","0.0655","","0.1034","0.0746","0.0746","","","","","","0.9552","","","","has coordinates","288254","2023-12-12","15:21:32",""
"1502225","6.886","0.002","9.127","0.003","12.929","0.004","89.976","0.004","88.253","0.004","75.849","0.004","787.5","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","11018c","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C32 H40 N4 O8 S2 -","2","1","","Feltenberger, John B.; Hsung, Richard P.","Oppolzer-type intramolecular Diels-Alder cycloadditions via isomerizations of allenamides.","Organic letters","2011","13","12","3114","3117","10.1021/ol2010227","","","0.71073","MoKα","","0.0516","0.0418","","","0.1195","0.1252","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502226","10.792","0.009","15.356","0.012","17.73","0.014","90","","90","","90","","2938","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 N2 O8 S -","- C29 H32 N2 O8 S -","- C116 H128 N8 O32 S4 -","4","1","","Yao, Ming; Lu, Chong-Dao","Three-component reactions of sulfonylimidates, silyl glyoxylates and N-tert-butanesulfinyl aldimines: an efficient, diastereoselective, and enantioselective synthesis of Cyclic N-sulfonylamidines.","Organic letters","2011","13","10","2782","2785","10.1021/ol201029b","","","0.71073","MoKα","","0.109","0.0509","","","0.0994","0.1218","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502227","9.071","0.003","13.012","0.005","13.847","0.005","105.575","0.004","96.749","0.004","103.098","0.004","1505.4","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 N2 O6 S2 Si -","- C26 H38 N2 O6 S2 Si -","- C52 H76 N4 O12 S4 Si2 -","2","1","","Yao, Ming; Lu, Chong-Dao","Three-component reactions of sulfonylimidates, silyl glyoxylates and N-tert-butanesulfinyl aldimines: an efficient, diastereoselective, and enantioselective synthesis of Cyclic N-sulfonylamidines.","Organic letters","2011","13","10","2782","2785","10.1021/ol201029b","","","0.71073","MoKα","","0.1119","0.0707","","","0.1783","0.1963","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502228","26.9423","0.0019","11.5811","0.0009","12.2531","0.0011","90","","98.789","0.006","90","","3778.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O2 S Si -","- C18 H25 N O2 S Si -","- C144 H200 N8 O16 S8 Si8 -","8","2","","Garcia, Pierre; Harrak, Youssef; Diab, Lisa; Cordier, Pierre; Ollivier, Cyril; Gandon, Vincent; Malacria, Max; Fensterbank, Louis; Aubert, Corinne","Silver-catalyzed cycloisomerization of 1,n-allenynamides.","Organic letters","2011","13","11","2952","2955","10.1021/ol201041h","","","0.71073","MoKα","","0.1252","0.0531","","","0.1237","0.1494","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502229","11.2195","0.0009","12.8091","0.0007","13.7031","0.0012","92.225","0.006","91.911","0.007","92.52","0.005","1964.7","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H27 N O2 S Si -","- C19 H27 N O2 S Si -","- C76 H108 N4 O8 S4 Si4 -","4","2","","Garcia, Pierre; Harrak, Youssef; Diab, Lisa; Cordier, Pierre; Ollivier, Cyril; Gandon, Vincent; Malacria, Max; Fensterbank, Louis; Aubert, Corinne","Silver-catalyzed cycloisomerization of 1,n-allenynamides.","Organic letters","2011","13","11","2952","2955","10.1021/ol201041h","","","0.71073","MoKα","","0.0931","0.0495","","","0.1183","0.1373","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502230","10.024","0.004","7.592","0.003","23.625","0.009","90","","93.264","0.004","90","","1795","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","1","","Zhang, Ling; Xie, Xingang; Liu, Jian; Qi, Jing; Ma, Donghui; She, Xuegong","Concise total synthesis of (±)-dasyscyphin D.","Organic letters","2011","13","11","2956","2958","10.1021/ol201047m","","","0.71073","MoKα","","0.0894","0.0513","","","0.1148","0.1332","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502231","10.7041","0.0002","6.703","0.0002","13.9287","0.0003","90","","92.639","0.002","90","","998.32","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Fe O7 Si -","- C17 H24 Fe O7 Si -","- C34 H48 Fe2 O14 Si2 -","2","1","","Palframan, Matthew J.; Kociok-Köhn, Gabriele; Lewis, Simon E.","Total synthesis of (+)-grandifloracin by iron complexation of a microbial arene oxidation product.","Organic letters","2011","13","12","3150","3153","10.1021/ol201057r","","","0.71073","MoKα","","0.0345","0.0272","","","0.0576","0.0603","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502232","32.8336","0.0013","3.9719","0.0002","25.7332","0.001","90","","103.456","0.002","90","","3263.8","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Br O3 -","- C21 H13 Br O3 -","- C168 H104 Br8 O24 -","8","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.0397","0.0277","","","0.0766","0.1131","","","","","","0.717","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502233","14.7694","0.0009","9.5633","0.0007","17.9026","0.0016","90","","104.874","0.003","90","","2443.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.2267","0.1015","","","0.2623","0.332","","","","","","0.869","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502234","6.896","0.0002","8.462","0.0002","18.512","0.0006","86.812","0.001","86.196","0.001","82.011","0.001","1066.23","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cl N O2 -","- C28 H20 Cl N O2 -","- C56 H40 Cl2 N2 O4 -","2","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.0751","0.0536","","","0.143","0.1675","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502235","10.647","0.003","6.0513","0.0016","35.119","0.009","90","","97.762","0.005","90","","2241.9","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","1","","Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei","Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions.","Organic letters","2011","13","11","2970","2973","10.1021/ol201062r","","","0.71073","MoKα","","0.1459","0.0611","","","0.1138","0.1479","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502236","9.165","0.0011","18.929","0.002","30.39","0.004","90","","90","","90","","5272.2","1.1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H22 N4 O5 -","- C30 H22 N4 O5 -","- C240 H176 N32 O40 -","8","1","","Deng, Hong-Ping; Wei, Yin; Shi, Min","Highly regio- and diastereoselective construction of spirocyclopenteneoxindoles through phosphine-catalyzed [3 + 2] annulation of Morita-Baylis-Hillman carbonates with isatylidene malononitriles.","Organic letters","2011","13","13","3348","3351","10.1021/ol201094f","","","0.71073","MoKα","","0.059","0.0476","","","0.1226","0.129","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502237","16.2244","0.0016","13.6922","0.0014","13.2558","0.0013","90","","109.666","0.002","90","","2773","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N3 O7 -","- C32 H27 N3 O7 -","- C128 H108 N12 O28 -","4","1","","Deng, Hong-Ping; Wei, Yin; Shi, Min","Highly regio- and diastereoselective construction of spirocyclopenteneoxindoles through phosphine-catalyzed [3 + 2] annulation of Morita-Baylis-Hillman carbonates with isatylidene malononitriles.","Organic letters","2011","13","13","3348","3351","10.1021/ol201094f","","","0.71073","MoKα","","0.0514","0.0398","","","0.1098","0.1214","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502238","14.4437","0.0002","5.7383","0.0001","19.0506","0.0003","90","","112.178","0.001","90","","1462.14","0.04","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(4-Chlorophenyl)sulfinyl]ethyl Phenyl Sulfone","","- C14 H13 Cl O3 S2 -","- C14 H13 Cl O3 S2 -","- C56 H52 Cl4 O12 S8 -","4","1","","Gelat, Fabien; Jayashankaran, Jayadevan; Lohier, Jean-François; Gaumont, Annie-Claude; Perrio, Stéphane","Organocatalytic asymmetric synthesis of sulfoxides from sulfenic acid anions mediated by a Cinchona-derived phase-transfer reagent.","Organic letters","2011","13","12","3170","3173","10.1021/ol2010962","","","0.71073","MoKα","","0.04","0.032","","","0.0875","0.0945","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502239","32.4723","0.0007","5.3295","0.0001","19.7631","0.0005","90","","123.424","0.001","90","","2854.58","0.11","176","2","176","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(4-Chlorophenyl)sulfanyl]ethyl Phenyl Sulfone","","- C14 H13 Cl O2 S2 -","- C14 H13 Cl O2 S2 -","- C112 H104 Cl8 O16 S16 -","8","1","","Gelat, Fabien; Jayashankaran, Jayadevan; Lohier, Jean-François; Gaumont, Annie-Claude; Perrio, Stéphane","Organocatalytic asymmetric synthesis of sulfoxides from sulfenic acid anions mediated by a Cinchona-derived phase-transfer reagent.","Organic letters","2011","13","12","3170","3173","10.1021/ol2010962","","","0.71073","MoKα","","0.0375","0.0305","","","0.0809","0.0879","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502240","14.78","0.005","17.617","0.006","6.08","0.002","90","","90","","90","","1583.1","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Li, Shaoyu; Luo, Yong; Wu, Jie","An efficient approach to fused indolines via a copper(I)-catalyzed reaction of sulfonyl azide with 2-ethynylaryl methylenecyclopropane.","Organic letters","2011","13","12","3190","3193","10.1021/ol2011067","","","0.71073","MoKα","","0.0625","0.0586","","","0.1498","0.1533","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502241","6.9188","0.0003","27.2416","0.0013","14.3296","0.0007","90","","99.112","0.001","90","","2666.7","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N6 O8 -","- C28 H26 N6 O8 -","- C112 H104 N24 O32 -","4","1","","Ong, Wei Qiang; Zhao, Huaiqing; Fang, Xiao; Woen, Susanto; Zhou, Feng; Yap, Weiliang; Su, Haibin; Li, Sam F. Y.; Zeng, Huaqiang","Encapsulation of conventional and unconventional water dimers by water-binding foldamers.","Organic letters","2011","13","12","3194","3197","10.1021/ol2011083","","","0.71073","MoKα","","0.0786","0.0687","","","0.1771","0.1849","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502242","10.639","0.003","15.23","0.003","10.594","0.002","90","","107.204","0.004","90","","1639.8","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Bhat, Vikram; Mackay, James A.; Rawal, Viresh H.","Directed oxidative cyclizations to C2- or C4-positions of indole: efficient construction of the bicyclo[4.3.1]decane core of welwitindolinones.","Organic letters","2011","13","12","3214","3217","10.1021/ol201122f","","","0.71073","MoKα","","0.0348","0.0332","","","0.075","0.0758","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502243","11.6158","0.0005","10.8562","0.0004","14.9637","0.0006","90","","98.5362","0.0005","90","","1866.07","0.13","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl (1,3-dimethyl-2-oxo-4,5-diphenylcyclopentyl)acetate","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","","Wu, Yen-Ku; McDonald, Robert; West, F. G.","Homologous Mukaiyama reactions via trapping of the Nazarov intermediate with silyloxyalkenes.","Organic letters","2011","13","14","3584","3587","10.1021/ol201125h","","","0.71073","MoKα","","0.0419","0.0371","","","0.0976","0.1012","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502244","8.9761","0.0004","11.3076","0.0005","12.297","0.0005","63.7884","0.0005","78.2742","0.0005","73.1019","0.0005","1067.35","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C54 H52 O6 -","2","1","","Wu, Yen-Ku; McDonald, Robert; West, F. G.","Homologous Mukaiyama reactions via trapping of the Nazarov intermediate with silyloxyalkenes.","Organic letters","2011","13","14","3584","3587","10.1021/ol201125h","","","0.71073","MoKα","","0.0511","0.0384","","","0.0895","0.0968","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502245","10.0314","0.0008","10.7337","0.0009","14.5403","0.0012","77.379","0.001","77.553","0.001","84.994","0.001","1490.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O7 W -","- C32 H24 N2 O7 W -","- C64 H48 N4 O14 W2 -","2","1","","Luo, Ning; Zheng, Zhaoyan; Yu, Zhengkun","Highly regioselective [3 + 2] annulation of azomethine imines with 1-alkynyl Fischer carbene complexes to functionalized N,N-bicyclic pyrazolidin-3-ones.","Organic letters","2011","13","13","3384","3387","10.1021/ol201139w","","","0.71073","MoKα","","0.0466","0.0404","","","0.0918","0.0944","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502246","10.8866","0.0013","24.184","0.003","12.4957","0.0015","90","","108.261","0.002","90","","3124.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cr N2 O6 -","- C33 H26 Cr N2 O6 -","- C132 H104 Cr4 N8 O24 -","4","1","","Luo, Ning; Zheng, Zhaoyan; Yu, Zhengkun","Highly regioselective [3 + 2] annulation of azomethine imines with 1-alkynyl Fischer carbene complexes to functionalized N,N-bicyclic pyrazolidin-3-ones.","Organic letters","2011","13","13","3384","3387","10.1021/ol201139w","","","0.71073","MoKα","","0.1317","0.0502","","","0.1035","0.13","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502247","18.698","0.003","6.3535","0.0004","13.0976","0.0017","90","","123.74","0.009","90","","1293.9","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","2,2-difluoro-3-(4-methoxyphenyl)-2H-benzo[e][1,3,2] oxazaborinin-3-ium-2-uide","","- C14 H12 B F2 N O2 -","- C14 H12 B F2 N O2 -","- C56 H48 B4 F8 N4 O8 -","4","1","","Frath, Denis; Azizi, Sébastien; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Facile synthesis of highly fluorescent Boranil complexes.","Organic letters","2011","13","13","3414","3417","10.1021/ol2011665","","","1.54187","CuKα","","0.1443","0.0849","","","0.2289","0.2804","","","","","","0.881","","","","has coordinates","290480","2024-03-13","07:29:09",""
"1502248","8.9782","0.0006","10.5876","0.0007","12.1442","0.0008","73.134","0.005","83.769","0.006","71.394","0.005","1046.84","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-methoxyphenyl)-2,2-diphenyl-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide","","- C26 H22 B N O2 -","- C26 H22 B N O2 -","- C52 H44 B2 N2 O4 -","2","1","","Frath, Denis; Azizi, Sébastien; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Facile synthesis of highly fluorescent Boranil complexes.","Organic letters","2011","13","13","3414","3417","10.1021/ol2011665","","","1.54187","CuKα","","0.0658","0.0461","","","0.1204","0.1497","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502249","5.03","0.002","8.843","0.004","11.54","0.005","90","","95.42","0.008","90","","511","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H19 N O -","- C10 H19 N O -","- C20 H38 N2 O2 -","2","1","","Song, Liyan; Liu, Kun; Li, Chaozhong","Efficient and regioselective 9-endo cyclization of α-carbamoyl radicals.","Organic letters","2011","13","13","3434","3437","10.1021/ol201180g","","","0.71073","MoKα","","0.0739","0.0703","","","0.1626","0.1644","","","","","","1.319","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502250","8.9146","0.0001","8.5388","0.0002","10.1252","0.0002","90","","106.47","0.001","90","","739.11","0.02","180","2","180","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","Stambuli1810","","","- C13 H26 O5 -","- C13 H26 O5 -","- C26 H52 O10 -","2","1","","Chellat, Mathieu F.; Proust, Nicolas; Lauer, Matthew G.; Stambuli, James P.","Synthesis of key fragments of leiodelide A.","Organic letters","2011","13","12","3246","3249","10.1021/ol201183f","","x-ray","0.71073","MoKα","","0.0443","0.0358","","","0.082","0.0865","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502251","10.3475","0.0007","26.926","0.0015","11.5981","0.0006","90","","107.361","0.006","90","","3084.2","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H52 B F4 O10 P2 Rh -","- C54 H52 B F4 O10 P2 Rh -","- C108 H104 B2 F8 O20 P4 Rh2 -","2","1","","Leseurre, Lucie; d'Herouville, Florent Le Boucher; Püntener, Kurt; Scalone, Michelangelo; Genêt, Jean-Pierre; Michelet, Véronique","Efficient route to atropisomeric ligands‒application to the synthesis of MeOBIPHEP analogues.","Organic letters","2011","13","12","3250","3253","10.1021/ol2011874","","","0.7107","MoKα","","0.0761","0.0637","","","0.1757","0.1831","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502252","6.0126","0.0003","10.4102","0.0005","10.6716","0.0005","65.453","0.006","88.454","0.006","84.712","0.007","604.96","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C28 H30 N2 O6 -","2","1","","Chaiyaveij, Duangduan; Cleary, Leah; Batsanov, Andrei S.; Marder, Todd B.; Shea, Kenneth J.; Whiting, Andrew","Copper(II)-catalyzed room temperature aerobic oxidation of hydroxamic acids and hydrazides to acyl-nitroso and azo intermediates, and their Diels-Alder trapping.","Organic letters","2011","13","13","3442","3445","10.1021/ol201188d","","","0.71073","MOKα","","0.0436","0.0407","","","0.1122","0.1154","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502253","8.3176","0.0003","16.6568","0.0004","13.6584","0.0004","90","","90.566","0.007","90","","1892.21","0.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Chaiyaveij, Duangduan; Cleary, Leah; Batsanov, Andrei S.; Marder, Todd B.; Shea, Kenneth J.; Whiting, Andrew","Copper(II)-catalyzed room temperature aerobic oxidation of hydroxamic acids and hydrazides to acyl-nitroso and azo intermediates, and their Diels-Alder trapping.","Organic letters","2011","13","13","3442","3445","10.1021/ol201188d","","","0.71073","MoKα","","0.0503","0.039","","","0.0968","0.1061","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502254","9.135","0.006","10.753","0.007","13.533","0.008","78.378","0.008","85.363","0.008","84.178","0.008","1292.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O3 S -","- C32 H28 N2 O3 S -","- C64 H56 N4 O6 S2 -","2","1","","Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang","Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines.","Organic letters","2011","13","13","3458","3461","10.1021/ol201194n","","","0.71073","MoKα","","0.1572","0.0822","","","0.1683","0.1992","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502255","14.625","0.005","18.877","0.006","15.507","0.006","90","","112.404","0.004","90","","3958","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C168 H160 N16 O40 S8 -","8","1","","Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang","Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines.","Organic letters","2011","13","13","3458","3461","10.1021/ol201194n","","","0.71073","MoKα","","0.1528","0.0532","","","0.1347","0.2007","","","","","","0.926","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502256","6.5965","0.0018","31.133","0.009","11.021","0.003","90","","100.454","0.002","90","","2225.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24.25 N2 O5 S -","- C24 H24.683 N2 O5 S -","- C96 H98.732 N8 O20 S4 -","4","1","","Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang","Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines.","Organic letters","2011","13","13","3458","3461","10.1021/ol201194n","","","0.71073","MoKα","","0.0737","0.049","","","0.0947","0.106","","","","","","0.965","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502257","7.8508","0.0003","6.932","0.0003","10.6342","0.0004","90","","90.905","0.003","90","","578.66","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Peed, Jennifer; Domínguez, Ignacio Periñán; Davies, Iwan R.; Cheeseman, Matt; Taylor, James E.; Kociok-Köhn, Gabriele; Bull, Steven D.","Asymmetric synthesis of chiral δ-lactones containing multiple contiguous stereocenters.","Organic letters","2011","13","14","3592","3595","10.1021/ol2012023","","","0.71073","MoKα","","0.0516","0.0392","","","0.0911","0.0975","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502258","10.7469","0.0004","12.9651","0.0005","17.9436","0.0008","88.426","0.003","87.15","0.003","68.296","0.004","2319.94","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C112 H88 N8 O8 S4 -","4","2","","Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.","Organic letters","2011","13","14","3553","3555","10.1021/ol201203g","","","0.71073","MoKα","","0.0646","0.0434","","","0.0986","0.1093","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502259","11.8881","0.0008","12.18","0.0007","12.2791","0.0007","110.189","0.005","102.272","0.005","113.776","0.006","1393.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N2 O2 S -","- C34 H26 N2 O2 S -","- C68 H52 N4 O4 S2 -","2","1","","Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.","Organic letters","2011","13","14","3553","3555","10.1021/ol201203g","","","0.71073","MoKα","","0.0749","0.0444","","","0.0959","0.1098","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502260","9.6548","0.0007","10.4292","0.0008","12.491","0.001","102.367","0.007","103.256","0.006","95.325","0.006","1182.43","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O2 S -","- C28 H22 N2 O2 S -","- C56 H44 N4 O4 S2 -","2","1","","Zhu, Yuanxun; Wen, Shan; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang","Tandem reaction of propargyl alcohol and N-sulfonylhydrazone: synthesis of dihydropyrazole and its utility in the preparation of 3,3-diarylacrylonitrile.","Organic letters","2011","13","14","3553","3555","10.1021/ol201203g","","","1.54184","CuKα","","0.0494","0.0415","","","0.1092","0.1161","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502261","9.3604","0.0005","11.8162","0.0006","16.8778","0.001","96.449","0.004","100.349","0.004","112.149","0.004","1667.34","0.17","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H36 O2 -","- C46 H36 O2 -","- C92 H72 O4 -","2","1","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.0987","0.0514","","","0.1231","0.1439","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502262","12.203","0.002","12.71","0.003","15.086","0.003","96.685","0.013","92.7","0.013","114.363","0.012","2105.3","0.8","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H42 O2 -","- C58 H42 O2 -","- C116 H84 O4 -","2","1","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.0989","0.0484","","","0.1115","0.1305","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502263","12.969","0.004","8.948","0.002","15.068","0.004","90","","93.586","0.006","90","","1745.2","0.8","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C92 H68 O4 -","2","0.5","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.1306","0.0544","","","0.1289","0.1625","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502264","14.327","0.004","20.05","0.004","18.357","0.004","90","","93.811","0.011","90","","5262","2","275","2","275","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H50 O2 -","- C70 H50 O2 -","- C280 H200 O8 -","4","1","","Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling","Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones.","Organic letters","2011","13","14","3608","3611","10.1021/ol201207b","","","0.71073","MoKα","","0.1535","0.0901","","","0.2472","0.3082","","","","","","0.842","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502265","7.2726","0.0013","11.545","0.002","11.673","0.002","101.193","0.002","98.439","0.002","101.886","0.002","922.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","10154","","","- C19 H20 Br N O5 -","- C19 H20 Br N O5 -","- C38 H40 Br2 N2 O10 -","2","1","","Volp, Kelly A.; Johnson, Diane M.; Harned, Andrew M.","A concise synthetic approach to the sorbicillactones: total synthesis of sorbicillactone A and 9-epi-sorbicillactone A.","Organic letters","2011","13","17","4486","4489","10.1021/ol201211f","","","0.71073","MoKα","","0.0644","0.0384","","","0.0861","0.1001","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502266","5.8247","0.0005","13.4193","0.0012","19.193","0.0017","90","","90","","90","","1500.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.0409","0.0386","","","0.1066","0.1084","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502267","5.5936","0.0005","13.6523","0.0012","20.192","0.0017","90","","90","","90","","1542","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.04","0.0363","","","0.0875","0.0897","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502268","10.4555","0.0008","12.6948","0.001","15.6289","0.0012","83.987","0.001","80.628","0.001","89.673","0.001","2035.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","2","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.0773","0.0582","","","0.1625","0.1765","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502269","7.927","0.002","8.405","0.002","17.286","0.005","100.81","0.006","92.514","0.005","108.286","0.005","1067.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.1316","0.0767","","","0.2162","0.2527","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502270","7.646","0.003","8.643","0.003","14.822","0.003","78.542","0.011","86.513","0.015","63.789","0.008","860.9","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 F3 O4 -","- C19 H17 F3 O4 -","- C38 H34 F6 O8 -","2","1","","Kawatsura, Motoi; Namioka, Junya; Kajita, Koji; Yamamoto, Mitsuaki; Tsuji, Hiroaki; Itoh, Toshiyuki","Ruthenium-catalyzed regio- and stereoselective addition of carboxylic acids to aryl and trifluoromethyl group substituted unsymmetrical internal alkynes.","Organic letters","2011","13","12","3285","3287","10.1021/ol201238u","","","0.71075","MoKα","","","0.0466","","","","0.0994","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502271","11.5532","0.0007","12.746","0.0008","11.7436","0.0007","90","","91.738","0.002","90","","1728.53","0.18","173.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Yoshida, Masahiro; Sugimura, Chiyuki; Shishido, Kozo","Diastereoselective construction of 7-methylenebicyclo[3.2.1]oct-3-en-2-one derivatives by palladium-catalyzed cyclization of propargylic acetates with 2-oxocyclohex-3-enecarboxylates.","Organic letters","2011","13","13","3482","3485","10.1021/ol201243u","","","0.7107","MoKα","","","0.064","","","","0.093","","","","","","1.079","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502272","10.1633","0.0002","9.93","0.0002","12.1706","0.0003","90","","96.277","0.001","90","","1220.91","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H41 N5 O3 -","- C23 H41 N5 O3 -","- C46 H82 N10 O6 -","2","1","","Medda, Amiya K.; Park, Chul Min; Jeon, Aram; Kim, Hyunwoo; Sohn, Jeong-Hun; Lee, Hee-Seung","A nonpeptidic reverse-turn scaffold stabilized by urea-based dual intramolecular hydrogen bonding.","Organic letters","2011","13","13","3486","3489","10.1021/ol201247x","","","0.71073","MoKα","","0.0417","0.0357","","","0.086","0.0904","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502273","9.928","0.003","10.295","0.003","17.911","0.005","90","","90","","90","","1830.7","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Shacklady-McAtee, Danielle M; Dasgupta, Srimoyee; Watson, Mary P.","Nickel(0)-catalyzed cyclization of N-benzoylaminals for isoindolinone synthesis.","Organic letters","2011","13","13","3490","3493","10.1021/ol201248c","","","0.71073","MoKα","","0.1002","0.0474","","","0.0819","0.098","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502274","9.8","0.004","9.819","0.004","21.005","0.008","79.398","0.011","80.237","0.011","79.763","0.012","1935.4","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","2","","Nakamura, Itaru; Araki, Toshiharu; Zhang, Dong; Kudo, Yu; Kwon, Eunsang; Terada, Masahiro","Regioselective transformation of O-propargylic arylaldoximes to four-membered cyclic nitrones by copper-catalyzed skeletal rearrangement.","Organic letters","2011","13","14","3616","3619","10.1021/ol2012583","","","0.7107","MoKα","","","0.0603","","","","0.1783","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502275","12.1885","0.0002","21.5857","0.0004","23.1276","0.0004","90","","90","","90","","6084.81","0.18","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O2 S -","- C22 H28 N2 O2 S -","- C264 H336 N24 O24 S12 -","12","3","","Hatcher, John M.; Kohler, Mark C.; Coltart, Don M.","Catalytic asymmetric addition of thiols to nitrosoalkenes leading to chiral non-racemic α-sulfenyl ketones.","Organic letters","2011","13","15","3810","3813","10.1021/ol2012633","","","0.71073","MoKα","","0.0582","0.0449","","","0.0987","0.1048","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502276","6.3321","0.0001","9.3119","0.0001","21.7921","0.0004","90","","90","","90","","1284.95","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C52 H56 Br4 N4 O12 -","4","1","","Kwiatkowski, Piotr; Dudziński, Krzysztof; Łyżwa, Dawid","Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers.","Organic letters","2011","13","14","3624","3627","10.1021/ol201275h","","","0.71073","MoKα","","0.0176","0.0166","","","0.0409","0.0418","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502277","9.1006","0.0001","10.0753","0.0002","14.3954","0.0002","90","","90","","90","","1319.93","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Kwiatkowski, Piotr; Dudziński, Krzysztof; Łyżwa, Dawid","Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers.","Organic letters","2011","13","14","3624","3627","10.1021/ol201275h","","","0.71073","MoKα","","0.0173","0.0161","","","0.0399","0.0406","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502278","10.36","0.03","14.78","0.04","13.66","0.04","90","","102.5","0.03","90","","2042","10","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br N3 O5 -","- C18 H17 Br N3 O5 -","- C72 H68 Br4 N12 O20 -","4","1","","Zhang, Gen; Zhang, Yaohu; Jiang, Xianxing; Yan, Wenjin; Wang, Rui","Highly enantioslective synthesis of multisubstituted polyfunctional dihydropyrrole via an organocatalytic tandem Michael/cyclization sequence.","Organic letters","2011","13","15","3806","3809","10.1021/ol201299u","","","0.71073","MoKα","","0.1381","0.0594","","","0.119","0.1545","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502279","8.5637","0.0013","12.1843","0.0018","15.3","0.002","90","","90","","90","","1596.4","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Kuang, Yulong; Liu, Xiaohua; Chang, Lu; Wang, Min; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric conjugate allylation of coumarins.","Organic letters","2011","13","15","3814","3817","10.1021/ol201312y","","","1.54186","CuKα","","0.0352","0.0338","","","0.0718","0.0726","","","","","","1.15","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502280","10.4374","0.0004","10.5171","0.0004","11.037","0.0005","104.297","0.004","97.447","0.004","117.915","0.004","993.96","0.09","90","2","90","2","","","","","","","","2","P -1","-P 1","2","Compound 1","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","1","","Korovina, Nadezhda V.; Chang, Michael L.; Nguyen, Trang T.; Fernandez, Ramiro; Walker, Heather J.; Olmstead, Marilyn M.; Gherman, Benjamin F.; Spence, John D.","Syntheses and reactivity of naphthalenyl-substituted arenediynes.","Organic letters","2011","13","14","3660","3663","10.1021/ol201317w","","","0.71073","MoKα","","0.044","0.04","","","0.1162","0.1209","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502281","10.0288","0.0004","15.9042","0.0006","15.9492","0.0006","115.647","0.002","107.906","0.002","91.763","0.002","2142.01","0.15","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Compound 5a","","","- C61 H38 Cl2 -","- C61 H38 Cl2 -","- C122 H76 Cl4 -","2","1","","Korovina, Nadezhda V.; Chang, Michael L.; Nguyen, Trang T.; Fernandez, Ramiro; Walker, Heather J.; Olmstead, Marilyn M.; Gherman, Benjamin F.; Spence, John D.","Syntheses and reactivity of naphthalenyl-substituted arenediynes.","Organic letters","2011","13","14","3660","3663","10.1021/ol201317w","","","0.71073","MoKα","","0.0585","0.0462","","","0.1197","0.1284","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502282","9.144","0.0018","8.9795","0.0018","11.155","0.002","90","","91.71","0.03","90","","915.5","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N0 O4 S -","- C21 H24 O4 S -","- C42 H48 O8 S2 -","2","1","","Yang, Haishen; Gao, Yuzhe; Qiao, Xiaoxiao; Xie, Longguan; Xu, Xiaohua","Concise total synthesis of (-)-8-epigrosheimin.","Organic letters","2011","13","14","3670","3673","10.1021/ol201322w","","","0.71073","MoKα","","0.0393","0.0328","","","0.0784","0.081","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502283","10.645","0.002","10.645","0.002","22.016","0.006","90","","90","","120","","2160.5","0.8","123.1","","123.1","","","","","","","","","5","P 61","P 61","169","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C90 H114 N6 O12 S6 -","6","1","","Nishimura, Takahiro; Maeda, Yuko; Hayashi, Tamio","Chiral diene-phosphine tridentate ligands for rhodium-catalyzed asymmetric cycloisomerization of 1,6-enynes.","Organic letters","2011","13","14","3674","3677","10.1021/ol2013236","","","0.71075","MoKα","","","0.0448","","","","0.1224","","","","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502284","9.9605","0.0002","11.4468","0.0003","13.0628","0.0003","111.413","0.002","100.86","0.0019","101.302","0.002","1303.38","0.06","100.3","","100.3","","","","","","","","","6","P 1","P 1","1","","","","- C27 H26 Br Cl3 N2 O2 -","- C27 H26 Br Cl3 N2 O2 -","- C54 H52 Br2 Cl6 N4 O4 -","2","2","","Jensen, Kim L.; Dickmeiss, Gustav; Donslund, Bjarke S.; Poulsen, Pernille H.; Jørgensen, Karl Anker","Asymmetric organocatalytic synthesis of complex cyclopenta[b]quinoline derivatives.","Organic letters","2011","13","14","3678","3681","10.1021/ol201328s","","x-ray","0.7107","MoKα","Kα","0.0362","0.0324","","","0.0793","0.0827","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502285","10.376","0.003","7.525","0.002","11.906","0.004","90","","98.198","0.005","90","","920.1","0.5","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","Chinnar","","","- C20 H32 O2 -","- C20 H32 O2 -","- C40 H64 O4 -","2","1","","Kurhade, Suresh E.; Sanchawala, Abbas I.; Ravikumar, Velayutham; Bhuniya, Debnath; Reddy, D. Srinivasa","Total synthesis of isofregenedadiol.","Organic letters","2011","13","14","3690","3693","10.1021/ol201336x","","","0.71073","MoKα","","0.0845","0.0537","","","0.1286","0.1434","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502286","10.3327","0.0006","15.1209","0.0008","11.5507","0.0006","90","","93.507","0.001","90","","1801.3","0.17","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","naka173","","- C22 H16 O4 Se -","- C22 H16 O4 Se -","- C88 H64 O16 Se4 -","4","1","","Ishii, Akihiko; Yamaguchi, Yuki; Nakata, Norio","Fluorescent 3-methylene-2,3-dihydrochalcogenophenes incorporated in a rigid dibenzobarrelene skeleton.","Organic letters","2011","13","14","3702","3705","10.1021/ol2013523","","","0.71073","MoKα","","0.0363","0.0307","","","0.0802","0.0832","","","","","","1.051","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1502287","10.2288","0.0006","14.8538","0.0008","11.6838","0.0006","90","","93.302","0.001","90","","1772.25","0.17","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","naka241","","- C22 H16 O4 S -","- C22 H16 O4 S -","- C88 H64 O16 S4 -","4","1","","Ishii, Akihiko; Yamaguchi, Yuki; Nakata, Norio","Fluorescent 3-methylene-2,3-dihydrochalcogenophenes incorporated in a rigid dibenzobarrelene skeleton.","Organic letters","2011","13","14","3702","3705","10.1021/ol2013523","","","0.71073","MoKα","","0.0485","0.0432","","","0.1023","0.1056","","","","","","1.041","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1502288","11.107","0.003","11.293","0.003","17.863","0.004","99.8139","0.0017","103.735","0.003","106.164","0.003","2022.2","0.9","113.1","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 Cl2 N3 O9 Pd -","- C43 H47 Cl2 N3 O9 Pd -","- C86 H94 Cl4 N6 O18 Pd2 -","2","1","","Suzaki, Yuji; Shimada, Kyoichi; Chihara, Eriko; Saito, Takashi; Tsuchido, Yoshitaka; Osakada, Kohtaro","[3]Rotaxane-based dinuclear palladium catalysts for ring-closure Mizoroki-Heck reaction.","Organic letters","2011","13","15","3774","3777","10.1021/ol201357b","","","0.7107","MoKα","","","0.0403","","","","0.0475","","","","","","0.766","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502289","4.8822","0.0005","14.1165","0.0015","10.0699","0.0011","90","","93.89","0.002","90","","692.41","0.13","223","2","223","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H10 F2 N2 O5 -","- C15 H10 F2 N2 O5 -","- C30 H20 F4 N4 O10 -","2","1","","Ren, Changliang; Xu, Shengyu; Xu, Jun; Chen, Hongyu; Zeng, Huaqiang","Planar macrocyclic fluoropentamers as supramolecular organogelators.","Organic letters","2011","13","15","3840","3843","10.1021/ol201361f","","","0.71073","MoKα","","0.0648","0.0552","","","0.1425","0.1498","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502290","11.1986","0.0002","12.092","0.0002","23.6","0.0004","90","","90","","90","","3195.76","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O14 -","- C29 H36 O14 -","- C116 H144 O56 -","4","1","","Shi, Yi-Ming; Li, Xing-Yao; Li, Xiao-Nian; Luo, Xiao; Xue, Yong-Bo; Liang, Cheng-Qin; Zou, Juan; Kong, Ling-Mei; Li, Yan; Pu, Jian-Xin; Xiao, Wei-Lie; Sun, Han-Dong","Schicagenins A-C: three cagelike nortriterpenoids from leaves and stems of Schisandra chinensis.","Organic letters","2011","13","15","3848","3851","10.1021/ol201366d","","","1.54178","CuKα","","0.0538","0.0527","","","0.1589","0.1606","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502291","9.1634","0.0018","15.94","0.003","28.513","0.006","90","","90","","90","","4164.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 Cl3 N2 O18 -","- C34 H43 Cl3 N2 O18 -","- C136 H172 Cl12 N8 O72 -","4","1","","Jung, Michael E.; Koch, Pierre","An efficient synthesis of the protected carbohydrate moiety of Brasilicardin A.","Organic letters","2011","13","14","3710","3713","10.1021/ol2013704","","","0.71073","MoKα","","0.077","0.0503","","","0.0992","0.1074","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502292","10.813","0.0007","6.7024","0.0004","20.2381","0.0011","90","","92.626","0.004","90","","1465.18","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","K-75 2-chloro-3-(4-methoxyphenyl)-4-aminoquinazolinium chloride","","- C15 H13 Cl2 N3 O -","- C15 H13 Cl2 N3 O -","- C60 H52 Cl8 N12 O4 -","4","1","","Naganaboina, Vijaya Kumar; Chandra, Kusum Lata; Desper, John; Rayat, Sundeep","An easy entry into 2-halo-3-aryl-4(3H)-quinazoliniminium halides from heteroenyne-allenes.","Organic letters","2011","13","14","3718","3721","10.1021/ol201372n","","","0.71073","MoKα","","0.1058","0.0756","","","0.1805","0.1983","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502293","5.1581","0.0012","9.443","0.002","12.776","0.003","90","","94.844","0.016","90","","620.1","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Lin, Lili; Kuang, Yulong; Liu, Xiaohua; Feng, Xiaoming","Indium(III)-catalyzed asymmetric hetero-Diels-Alder reaction of Brassard-type diene with aliphatic aldehydes.","Organic letters","2011","13","15","3868","3871","10.1021/ol2013999","","","1.54186","CuKα","","0.1002","0.0668","","","0.1051","0.125","","","","","","0.911","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502294","5.9124","0.0001","11.5275","0.0002","30.0634","0.0004","90","","90","","90","","2048.98","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai","Flueggines A and B, two new dimeric indolizidine alkaloids from Flueggea virosa.","Organic letters","2011","13","15","3888","3891","10.1021/ol201410z","","","1.54184","CuKα","","0.0242","0.0236","","","0.0597","0.0601","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502295","7.4783","0.0006","11.5713","0.0008","13.3812","0.0009","107.895","0.006","90.072","0.006","93.959","0.006","1098.97","0.14","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 N2 O6.5 -","- C24 H31 N2 O6.5 -","- C48 H62 N4 O13 -","2","2","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai","Flueggines A and B, Two New Dimeric Indolizidine Alkaloids from Flueggea virosa","Organic Letters","2011","13","15","3888","3891","10.1021/ol201410z","","","1.54184","CuKα","","0.0492","0.0441","","","0.1078","0.1172","","","","","","1.045","","","","has coordinates","210337","2020-10-21","18:00:00",""
"1502296","14.318","0.003","14.58","0.003","33.48","0.007","96.488","0.004","91.367","0.004","114.487","0.004","6300","2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H63 N3 S18 -","- C54 H9 N3 S18 -","- C216 H36 N12 S72 -","4","2","","Takase, Masayoshi; Yoshida, Naofumi; Nishinaga, Tohru; Iyoda, Masahiko","Star-shaped pyrrole-fused tetrathiafulvalene oligomers: synthesis and redox, self-assembling, and conductive properties.","Organic letters","2011","13","15","3896","3899","10.1021/ol2014279","","","0.71073","MoKα","","0.3186","0.1044","","","0.1944","0.2993","","","","","","0.93","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502297","9.892","0.002","11.591","0.002","14.767","0.003","90","","98.618","0.005","90","","1674","0.6","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H39 Cl N2 O3 S -","- C37 H33 Cl N2 O2 S -","- C74 H66 Cl2 N4 O4 S2 -","2","1","","Jung, Hyung Hoon; Buesking, Andrew W.; Ellman, Jonathan A.","Highly functional group compatible Rh-catalyzed addition of arylboroxines to activated N-tert-butanesulfinyl ketimines.","Organic letters","2011","13","15","3912","3915","10.1021/ol201438k","","","0.71075","MoKα","","0.1223","0.0738","","","0.1314","0.1479","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502298","9.7813","0.0005","7.8382","0.0004","18.103","0.001","90","","90.163","0.004","90","","1387.91","0.13","90","0.3","90","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N10 O13 -","- C23 H26 N10 O13 -","- C46 H52 N20 O26 -","2","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0656","0.0555","","","0.1382","0.145","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502299","7.9106","0.0002","11.5982","0.0003","22.2085","0.0006","90","","90","","90","","2037.6","0.09","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N3 O8 -","- C19 H23 N3 O8 -","- C76 H92 N12 O32 -","4","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0262","0.026","","","0.0662","0.0664","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502300","53.785","0.003","8.059","0.0004","18.4575","0.0009","90","","107.258","0.003","90","","7640.3","0.7","90","0.1","90","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21.5 N6.5 O7 -","- C16 H21.5 N6.5 O7 -","- C256 H344 N104 O112 -","16","4","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0654","0.0533","","","0.1225","0.1305","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502301","6.8458","0.0002","8.1555","0.0003","27.3235","0.0009","90","","90","","90","","1525.5","0.09","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N3 O7 -","- C13 H17 N3 O7 -","- C52 H68 N12 O28 -","4","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0233","0.0232","","","0.0626","0.0627","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502302","11.3164","0.0005","12.8458","0.0006","17.4968","0.0007","104.458","0.0013","99.5137","0.0013","92.1125","0.0014","2420.91","0.18","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H54 N O7 P2 Rh -","- C57 H54 N O7 P2 Rh -","- C114 H108 N2 O14 P4 Rh2 -","2","1","","Sakai, Kazunori; Kochi, Takuya; Kakiuchi, Fumitoshi","Rhodium-catalyzed anti-Markovnikov addition of secondary amines to arylacetylenes at room temperature.","Organic letters","2011","13","15","3928","3931","10.1021/ol201453h","","","0.71075","MoKα","","0.0712","0.0448","","","0.0805","0.1099","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502303","9.2779","0.0013","9.5225","0.0013","12.6163","0.0014","90.857","0.01","99.261","0.01","113.392","0.013","1005.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F O2 S2 -","- C23 H19 F O2 S2 -","- C46 H38 F2 O4 S4 -","2","1","","Chowdhury, Sushobhan; Nandi, Ganesh Chandra; Samai, Subhasis; Singh, Maya Shankar","Regioselective synthesis of tetrahydrothiochromen-5-ones via a one-pot three-component solvent-free domino protocol.","Organic letters","2011","13","14","3762","3765","10.1021/ol201458q","","","0.71073","MoKα","","0.1922","0.0853","","","0.1905","0.2663","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502304","8.3376","0.0002","10.1962","0.0002","16.0046","0.0003","77.913","0.001","85.229","0.001","89.651","0.001","1325.72","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 O6 S3 -","- C27 H24 O6 S3 -","- C54 H48 O12 S6 -","2","1","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","0.71073","MoKα","","0.1021","0.0586","","","0.1552","0.1959","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502305","22.5627","0.0001","22.5627","0.0001","43.5749","0.0005","90","","90","","120","","19211","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C155 H135 Cl9 O2 S6 -","- C154.98 H135 Cl9 O1.99 S6 -","- C929.88 H810 Cl54 O11.94 S36 -","6","0.333333","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","1.54178","CuKα","","0.085","0.0642","","","0.1852","0.2016","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502306","48.802","0.001","9.1918","0.0002","39.5359","0.0007","90","","123.36","0.002","90","","14812.8","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H96 S3 Si3 -","- C84 H96 S3 Si3 -","- C672 H768 S24 Si24 -","8","1","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","1.54178","CuKα","","0.0658","0.0572","","","0.1584","0.1675","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502307","7.03389","0.00014","8.73956","0.00018","32.833","0.0007","90","","93.7759","0.0018","90","","2013.97","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N2 O14 -","- C42 H50 N2 O14 -","- C84 H100 N4 O28 -","2","0.5","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","1.54178","CuKα","","0.0452","0.041","","","0.1069","0.1108","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502308","20.4716","0.0003","12.92677","0.00017","26.7661","0.0004","90","","93.5313","0.0013","90","","7069.71","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H77 F18 N5 O15 P3 -","- C63 H77 F18 N5 O15 P3 -","- C252 H308 F72 N20 O60 P12 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","1.54178","CuKα","","0.074","0.0638","","","0.1792","0.1892","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502309","10.4472","0.0003","31.1654","0.0017","21.6799","0.0009","90","","98.224","0.004","90","","6986.2","0.5","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H66 F12 N6 O14 P2 -","- C60 H66 F12 N6 O14 P2 -","- C240 H264 F48 N24 O56 P8 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","1.54178","CuKα","","0.1292","0.0938","","","0.2604","0.2844","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502310","10.677","0.0002","31.7992","0.0007","21.0198","0.0005","90","","97.495","0.002","90","","7075.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67.56 H76.33 F12 N6.78 O14 P2 -","- C67.556 H76.334 F12 N6.778 O14 P2 -","- C270.224 H305.336 F48 N27.112 O56 P8 -","4","1","","Niu, Zhenbin; Slebodnick, Carla; Schoonover, Daniel; Azurmendi, Hugo; Harich, Kim; Gibson, Harry W.","Pseudocryptand-type [2]pseudorotaxanes based on bis(meta-phenylene)-32-crown-10 derivatives and paraquats with remarkably improved association constants.","Organic letters","2011","13","15","3992","3995","10.1021/ol201502r","","x-ray","0.71073","MoKα","","0.0913","0.0646","","","0.1619","0.1837","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502311","9.9829","0.0003","7.6696","0.0003","19.7014","0.0006","90","","93.905","0.002","90","","1504.93","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Briones, John F.; Davies, Huw M. L.","Silver triflate-catalyzed cyclopropenation of internal alkynes with donor-/acceptor-substituted diazo compounds.","Organic letters","2011","13","15","3984","3987","10.1021/ol201503j","","","1.54178","CuKα","","0.0369","0.0356","","","0.0932","0.0944","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502312","7.0411","0.0005","8.8042","0.0005","13.9063","0.0009","90","","92.013","0.004","90","","861.54","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C34 H50 N2 O6 S2 -","2","1","","Söderman, Stefan C; Schwan, Adrian L.","The diastereoselective alkylation of arenesulfenate anions using homochiral electrophiles.","Organic letters","2011","13","16","4192","4195","10.1021/ol201508e","","","0.71073","MoKα","","0.081","0.0544","","","0.1233","0.139","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502313","13.2033","0.0003","19.022","0.0004","30.5196","0.0006","87.879","0.002","86.34","0.002","75.761","0.002","7412.7","0.3","119.9","","119.9","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H199 Cl2 N29 O14.93 -","- C156 H199 Cl2 N29 O14.93 -","- C312 H398 Cl4 N58 O29.86 -","2","1","","Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir","Bambus[n]urils: a new family of macrocyclic anion receptors.","Organic letters","2011","13","15","4000","4003","10.1021/ol201515c","","","1.5418","CuKα","","0.166","0.1493","","","0.3857","0.3947","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502314","13.2454","","13.5102","","29.984","","85.77","","83.333","","66.044","","4868.12","","119.9","","119.9","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H149 I N25 O17 -","- C84.9999 H149 I N25 O17 -","- C170 H298 I2 N50 O34 -","2","1","","Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir","Bambus[n]urils: a new family of macrocyclic anion receptors.","Organic letters","2011","13","15","4000","4003","10.1021/ol201515c","","","1.54178","CuKα","","0.1873","0.1504","","","0.1838","0.1876","","","","5.22","5.22","4.42","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502315","11.8221","0.0004","14.9512","0.0004","21.7562","0.0005","90.37","0.002","96.069","0.002","110.902","0.003","3568.27","0.19","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H79.59 N18 O8.79 -","- C80 H79.588 N18 O8.794 -","- C160 H159.176 N36 O17.588 -","2","1","","Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir","Bambus[n]urils: a new family of macrocyclic anion receptors.","Organic letters","2011","13","15","4000","4003","10.1021/ol201515c","","","1.54184","CuKα","","0.0522","0.0398","","","0.1049","0.1116","","","","1.92","1.92","1.81","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502316","5.176","0.0002","9.5637","0.0004","44.8293","0.0018","90","","90","","90","","2219.13","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O5 S -","- C23 H24 Cl N O5 S -","- C92 H96 Cl4 N4 O20 S4 -","4","1","","Medeiros, Matthew R.; Schaus, Scott E.; Porco, Jr, John A","A cycloisomerization/Friedel-Crafts alkylation strategy for the synthesis of pyrano[3,4-b]indoles.","Organic letters","2011","13","15","4012","4015","10.1021/ol201532k","","","1.54178","CuKα","","0.039","0.0384","","","0.1022","0.1027","","","","","","1.145","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502317","13.8192","0.0006","5.693","0.0002","14.7334","0.0006","90","","116.69","0.001","90","","1035.61","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Medeiros, Matthew R.; Schaus, Scott E.; Porco, Jr, John A","A cycloisomerization/Friedel-Crafts alkylation strategy for the synthesis of pyrano[3,4-b]indoles.","Organic letters","2011","13","15","4012","4015","10.1021/ol201532k","","","1.54178","CuKα","","0.0235","0.0234","","","0.0609","0.0611","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502318","10.9585","0.0014","8.8553","0.0012","15.429","0.002","90","","109.564","0.002","90","","1410.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl N2 -","- C18 H11 Cl N2 -","- C72 H44 Cl4 N8 -","4","1","","Wang, Chao; Flanigan, Darrin M.; Zakharov, Lev N.; Blakemore, Paul R.","Synthesis of 7,7'-dihydroxy-8,8'-biquinolyl (azaBINOL) via Pd-catalyzed directed double C-H functionalization of 8,8'-biquinolyl: emergence of an atropos from a tropos state.","Organic letters","2011","13","15","4024","4027","10.1021/ol201539d","","","0.71073","MoKα","","0.0597","0.0514","","","0.1427","0.1493","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502319","11.968","0.0008","19.9487","0.0013","9.6958","0.0007","90","","106.578","0.001","90","","2218.6","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Inami, Tasuku; Sako, Saori; Kurahashi, Takuya; Matsubara, Seijiro","Methylenecyclopropanes in [4+1] cycloaddition with enones.","Organic letters","2011","13","15","3837","3839","10.1021/ol201540b","","","0.71073","MoKα","","0.0764","0.0628","","","0.219","0.2446","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502320","8.265","0.0017","6.753","0.0014","14.254","0.003","90","","103.68","0.03","90","","773","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H12 Cl N O2 -","- C20 H12 Cl N O2 -","- C40 H24 Cl2 N2 O4 -","2","0.5","","Fei, Na; Yin, Hao; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","CuCl2-promoted 6-endo-dig chlorocyclization and oxidative aromatization cascade: efficient construction of 1-azaanthraquinones from N-propargylaminoquinones.","Organic letters","2011","13","16","4208","4211","10.1021/ol201542h","","","0.71073","MoKα","","0.0777","0.0533","","","0.1362","0.1538","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502321","27.989","0.003","9.0736","0.0009","9.4414","0.001","90","","90","","90","","2397.7","0.4","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C96 H144 O32 -","8","1","","Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang","A hydrogen peroxide based access to qinghaosu (artemisinin).","Organic letters","2011","13","16","4212","4215","10.1021/ol2015434","","","0.71073","MoKα","","0.0886","0.0607","","","0.1641","0.1818","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502322","9.0867","0.0018","12.11","0.002","13.383","0.003","90","","90","","90","","1472.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang","A hydrogen peroxide based access to qinghaosu (artemisinin).","Organic letters","2011","13","16","4212","4215","10.1021/ol2015434","","","0.71073","MoKα","","0.0489","0.0432","","","0.1077","0.1119","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502323","9.481","0.0003","12.997","0.0004","21.734","0.0005","97.541","0.0017","100.665","0.0017","110.165","0.0012","2414.73","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 F6 O10 S6 -","- C42 H50 F6 O10 S6 -","- C84 H100 F12 O20 S12 -","2","1","","Kundrat, Ondrej; Eigner, Vaclav; Dvorakova, Hana; Lhotak, Pavel","S-alkylation of thiacalixarenes: a long-neglected possibility in the calixarene family.","Organic letters","2011","13","15","4032","4035","10.1021/ol201546y","","","0.71073","MoKα","","0.1064","0.0846","","0.2798","0.2697","0.2798","","","","","","0.9736","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502324","13.505","0.003","6.1813","0.0011","15.804","0.003","90","","93.51","0.004","90","","1316.8","0.5","108","2","108","2","","","","","","","","5","P 1 21 1","P 2yb","4","l-8a.p-Br-benzoic acid 1:0.25 clathrate","","","- C25.75 H23 Br0.25 N2 O5.5 -","- C25.75 H23 Br0.25 N2 O5.5 -","- C51.5 H46 Br0.5 N4 O11 -","2","1","","Varga, Szilárd; Jakab, Gergely; Drahos, László; Holczbauer, Tamás; Czugler, Mátyás; Soós, Tibor","Double diastereocontrol in bifunctional thiourea organocatalysis: iterative Michael-Michael-Henry sequence regulated by the configuration of chiral catalysts.","Organic letters","2011","13","20","5416","5419","10.1021/ol201559j","","","0.56089","AgKα","","0.1179","0.0971","","","0.2565","0.2759","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502325","6.0225","0.0001","19.0267","0.0004","21.5818","0.0004","90","","90","","90","","2473.02","0.08","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C104 H120 N8 O28 -","4","1","","Varga, Szilárd; Jakab, Gergely; Drahos, László; Holczbauer, Tamás; Czugler, Mátyás; Soós, Tibor","Double diastereocontrol in bifunctional thiourea organocatalysis: iterative Michael-Michael-Henry sequence regulated by the configuration of chiral catalysts.","Organic letters","2011","13","20","5416","5419","10.1021/ol201559j","","","1.54187","CuKα","","0.0989","0.0539","","","0.1157","0.1688","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502326","8.1082","0.0003","8.129","0.0003","12.9822","0.0005","79.872","0.002","85.732","0.002","61.496","0.002","740.19","0.05","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O8 -","- C17 H14 O8 -","- C34 H28 O16 -","2","1","","Yu, Min; Snider, Barry B.","Syntheses of chloroisosulochrin and isosulochrin and biomimetic elaboration to maldoxin, maldoxone, dihydromaldoxin, and dechlorodihydromaldoxin.","Organic letters","2011","13","16","4224","4227","10.1021/ol201561w","","","0.71073","MoKα","","0.0376","0.0362","","0.0937","0.0896","0.0937","","","","","","1.0193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502327","13.5694","0.0005","17.621","0.0006","24.7835","0.0009","90","","101.814","0.001","90","","5800.4","0.4","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28.5 F3 I N3 O1.75 -","- C26 H21 F3 I N3 O -","- C208 H168 F24 I8 N24 O8 -","8","4","","Vu, Jenny M Baxter; Leighton, James L.","A new synthesis of pyrrolidines by way of an enantioselective Mannich/diastereoselective hydroamination reaction sequence.","Organic letters","2011","13","15","4056","4059","10.1021/ol201566u","","","0.71073","MoKα","","0.0618","0.042","","","0.0912","0.0979","","","","","","0.986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502328","10.1304","0.0017","11.4","0.002","17.702","0.003","76.36","0.003","85.057","0.003","71.691","0.003","1886","0.6","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","2","","Basheer, Ahmad; Mishima, Masaaki; Marek, Ilan","Regioselective carbon-carbon bond cleavage in the oxidation of cyclopropenylcarbinols.","Organic letters","2011","13","15","4076","4079","10.1021/ol201581c","","","0.71073","MoKα","","0.1603","0.0843","","","0.1694","0.1994","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502329","9.415","0.002","9.448","0.002","20.671","0.004","76.93","0.02","82.6","0.02","62.75","0.02","1591.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Marek-61(Ahmed)","","","- C38 H36 O2 Si -","- C38 H36 O2 Si -","- C76 H72 O4 Si2 -","2","1","","Basheer, Ahmad; Mishima, Masaaki; Marek, Ilan","Regioselective carbon-carbon bond cleavage in the oxidation of cyclopropenylcarbinols.","Organic letters","2011","13","15","4076","4079","10.1021/ol201581c","","","0.71073","MoKα","","0.0732","0.0589","","","0.1509","0.1598","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502330","20.496","0.007","18.931","0.005","15.444","0.005","90","","108.178","0.006","90","","5693","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 O5 -","- C31 H22 O5 -","- C248 H176 O40 -","8","1","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","0.71073","MoKα","","0.1152","0.0827","","","0.2337","0.2539","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502331","7.7247","0.0015","14.258","0.003","22.761","0.005","84.359","0.006","87.427","0.007","87.679","0.006","2490.6","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H28 O6 -","- C33 H28 O6 -","- C132 H112 O24 -","4","2","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","0.71073","MoKα","","0.098","0.0825","","","0.1774","0.1859","","","","","","1.159","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502332","8.1397","0.0008","32.018","0.003","9.9603","0.0011","90","","97.59","0.007","90","","2573.1","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H28 O6 -","- C33 H28 O6 -","- C132 H112 O24 -","4","2","","Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian","A concise approach to the dalesconol skeleton.","Organic letters","2011","13","17","4494","4497","10.1021/ol2015847","","","1.54186","CuKα","","0.0649","0.0579","","","0.1397","0.1469","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502333","7.5028","0.0004","5.9354","0.0003","25.0935","0.0014","90","","90.569","0.004","90","","1117.41","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O6 S -","- C23 H30 N2 O6 S -","- C46 H60 N4 O12 S2 -","2","1","","Peña-López, Miguel; Martínez, M. Montserrat; Sarandeses, Luis A.; Sestelo, José Pérez","A Versatile Enantioselective Synthesis of Barrenazines","Organic Letters","2011","13","15","4151","","10.1021/ol201592g","","","0.71073","MoKα","","0.0604","0.0504","","","0.1137","0.1205","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502334","7.6826","0.0007","11.6731","0.0011","21.484","0.002","90","","90","","90","","1926.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br O3 -","- C24 H17 Br O3 -","- C96 H68 Br4 O12 -","4","1","","Rong, Zi-Qiang; Jia, Min-Qiang; You, Shu-Li","Enantioselective N-heterocyclic carbene-catalyzed Michael addition to α,β-unsaturated aldehydes by redox oxidation.","Organic letters","2011","13","15","4080","4083","10.1021/ol201595f","","","0.71073","MoKα","","0.0334","0.0287","","","0.069","0.0707","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502335","8.429","0.007","9.844","0.007","27.51","0.02","90","","105.68","0.05","90","","2198","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-(dimethylamino)styryl)-5,5-difluoro-8-iodo-1,7,9,10- tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide","","- C23 H25 B F2 I N3 -","- C23 H25 B F2 I N3 -","- C92 H100 B4 F8 I4 N12 -","4","1","","Niu, Songlin; Ulrich, Gilles; Retailleau, Pascal; Ziessel, Raymond","Regioselective synthesis of 5-monostyryl and 2-tetracyanobutadiene BODIPY dyes.","Organic letters","2011","13","19","4996","4999","10.1021/ol201600s","","","1.54187","CuKα","","0.0713","0.0432","","","0.0903","0.1273","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502336","8.492","0.003","8.849","0.003","15.021","0.006","92.659","0.007","91.269","0.007","102.379","0.007","1100.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C50 H48 N4 O8 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0742","0.0571","","","0.1466","0.1824","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502337","8.996","0.004","17.247","0.006","11.869","0.005","90","","110.366","0.005","90","","1726.4","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0642","0.051","","","0.1358","0.1533","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502338","11.004","0.004","11.586","0.005","12.288","0.006","93.336","0.007","101.165","0.006","114.297","0.005","1384.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 Br N2 O4 S -","- C29 H33 Br N2 O4 S -","- C58 H66 Br2 N4 O8 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0871","0.0622","","","0.1554","0.1966","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502339","9.314","0.005","12.85","0.005","9.334","0.005","90","0.005","95.772","0.005","90","0.005","1111.5","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C52 H52 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Nanaji, Y.; Yadav, A. K.","Ring opening/C-N cyclization of activated aziridines with carbon nucleophiles: highly diastereo- and enantioselective synthesis of tetrahydroquinolines.","Organic letters","2011","13","16","4256","4259","10.1021/ol2016077","","","0.71073","MoKα","","0.0651","0.0526","","","0.1086","0.1405","","","","","","1.138","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502340","14.1502","0.0006","21.6375","0.001","27.7335","0.0012","90","","95.86","0.004","90","","8446.9","0.6","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H208 F12 N8 O34 P2 -","- C152 H208 F12 N8 O34 P2 -","- C304 H416 F24 N16 O68 P4 -","2","0.5","","Jiang, Wei; Sattler, Dominik; Rissanen, Kari; Schalley, Christoph A.","[4]Pseudorotaxanes with remarkable self-sorting selectivities.","Organic letters","2011","13","17","4502","4505","10.1021/ol201618f","","x-ray","1.54183","CuKα","","0.2472","0.1646","","","0.3976","0.4406","","","","","","1.336","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502341","7.7751","0.0006","10.3561","0.0008","30.771","0.002","90","","90","","90","","2477.7","0.3","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C96 H104 N8 O24 S8 -","8","2","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0585","0.0524","","","0.1322","0.1357","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502342","10.5132","0.0012","10.9768","0.0012","12.1803","0.0014","106.285","0.002","91.85","0.002","90.48","0.002","1348.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","2","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and Stereoselective Synthesis of Multisubstituted Olefins and Conjugate Dienes by Using α-Oxo Ketene Dithioacetals as the Building Blocks","Organic Letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0817","0.063","","","0.1768","0.1909","","","","","","1.078","","","","has coordinates","210339","2020-10-21","18:00:00",""
"1502343","13.017","0.0011","9.1064","0.0008","13.6673","0.0011","90","","105.084","0.001","90","","1564.3","0.2","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl O S -","- C19 H13 Cl O S -","- C76 H52 Cl4 O4 S4 -","4","1","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0417","0.0334","","","0.084","0.0898","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502344","10.4782","0.0017","12.795","0.002","12.858","0.002","90","","90","","90","","1723.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0405","0.032","","","0.0663","0.0691","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502345","18.9697","0.0009","6.1032","0.0003","12.078","0.0006","90","","95.162","0.003","90","","1392.67","0.12","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C68 H60 Br4 O4 -","4","1","","Ovalles, Stephanie R.; Hansen, Jørn H; Davies, Huw M. L.","Thermally induced cycloadditions of donor/acceptor carbenes.","Organic letters","2011","13","16","4284","4287","10.1021/ol201628d","","","1.54178","CuKα","","0.0677","0.0589","","","0.1853","0.2174","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502346","9.1072","0.0003","9.1072","0.0003","42.969","0.003","90","","90","","90","","3563.9","0.3","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C168 H192 N16 O16 -","8","1","","Giovanelli, Emerson; Leroux, Sébastien; Moisan, Lionel; Carreyre, Hélène; Thuéry, Pierre; Buisson, David-Alexandre; Meddour, Abdelkrim; Coustard, Jean-Marie; Thibaudeau, Sébastien; Rousseau, Bernard; Nicolas, Marc; Hellier, Paul; Doris, Eric","On the elucidation of the mechanism of Vinca alkaloid fluorination in superacidic medium.","Organic letters","2011","13","15","4116","4119","10.1021/ol201637m","","","0.71073","MoKα","","0.0605","0.0442","","","0.098","0.1054","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502347","7.9868","0.0014","16.291","0.003","15.104","0.003","90","","100.77","0.002","90","","1930.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 Br O Si -","- C18 H31 Br O Si -","- C72 H124 Br4 O4 Si4 -","4","1","","Liang, Huan; Hu, Lin; Corey, E. J.","Di-tert-butylisobutylsilyl, another useful protecting group.","Organic letters","2011","13","15","4120","4123","10.1021/ol201640y","","","0.71073","MoKα","","0.0355","0.0259","","","0.0589","0.0624","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502348","9.9752","0.0002","10.52392","0.00016","11.2107","0.0002","90","","116.107","0.003","90","","1056.81","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 S -","- C24 H32 O4 S -","- C48 H64 O8 S2 -","2","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","0.71073","MoKα","","0.0319","0.0289","","","0.071","0.0718","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502349","10.3318","0.0003","18.3947","0.0005","14.2896","0.0004","90","","108.039","0.003","90","","2582.25","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 O -","- C36 H34 O -","- C144 H136 O4 -","4","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","1.54184","CuKα","","0.0479","0.0434","","","0.1098","0.1143","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502350","7.43712","0.00009","8.62914","0.00009","36.4793","0.0004","90","","90","","90","","2341.09","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 O4 S -","- C28 H32 O4 S -","- C112 H128 O16 S4 -","4","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","1.54184","CuKα","","0.0335","0.0333","","","0.0839","0.0841","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502351","7.5858","0.0003","13.6821","0.0007","18.7826","0.0009","74.53","0.002","88.182","0.003","87.442","0.003","1876.54","0.15","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H46 S4 -","- C48 H46 S4 -","- C96 H92 S8 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.089","0.0719","","0.076","0.0743","0.0743","","","","","","1.1425","","","","has coordinates","210340","2020-10-21","18:00:00",""
"1502352","14.1748","0.0003","23.6414","0.0006","20.9266","0.0003","90","","100.256","0.0012","90","","6900.7","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 O S4 -","- C44 H38 O S4 -","- C352 H304 O8 S32 -","8","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.0666","0.0455","","0.056","0.0545","0.0545","","","","","","1.0498","","","","has coordinates","210340","2020-10-21","18:00:00",""
"1502353","5.0041","0.0002","9.4388","0.0005","14.0451","0.0008","101.515","0.003","96.482","0.003","97.466","0.003","637.91","0.06","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H3 F6 O6 S2 -","- C10 H3 F6 O6 S2 -","- C20 H6 F12 O12 S4 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.0512","0.0368","","0.0485","0.0444","0.0444","","","","","","1.075","","","","has coordinates","210340","2020-10-21","18:00:00",""
"1502354","10.9121","0.0002","13.4556","0.0003","21.4689","0.0005","101.749","0.0009","92.3718","0.0012","92.6724","0.0011","3078.67","0.11","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 Br2 F6 O6 S2 -","- C18 H6 Br2 F6 O6 S2 -","- C108 H36 Br12 F36 O36 S12 -","6","3","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.072","0.0501","","0.0612","0.0584","0.0584","","","","","","1.0832","","","","has coordinates","210340","2020-10-21","18:00:00",""
"1502355","9.5284","0.0006","14.0861","0.0007","16.0076","0.0009","71.062","0.004","88.429","0.003","80.284","0.004","2002.2","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 S4 -","- C48 H50 S4 -","- C96 H100 S8 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus","Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes","Organic Letters","2011","13","17","4506","4509","10.1021/ol2016516","","","0.71073","MoKα","","0.1014","0.0583","","0.0584","0.0563","0.0563","","","","","","1.1009","","","","has coordinates","210340","2020-10-21","18:00:00",""
"1502356","6.6296","0.0005","11.8971","0.0009","23.4759","0.0005","90","","90","","90","","1851.6","0.2","295","2","295","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Saha, Uday Chand; Dhara, Koushik; Chattopadhyay, Basab; Mandal, Sushil Kumar; Mondal, Swastik; Sen, Supriti; Mukherjee, Monika; van Smaalen, Sander; Chattopadhyay, Pabitra","A new half-condensed Schiff base compound: highly selective and sensitive pH-responsive fluorescent sensor.","Organic letters","2011","13","17","4510","4513","10.1021/ol201652r","","","0.71069","MoKα","","0.1861","0.07","","","0.174","0.2649","","","","","","1.514","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502357","10.497","0.003","10.773","0.003","12.762","0.004","104.976","0.004","109.023","0.004","107.143","0.004","1199.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N3 O2 S -","- C30 H23 N3 O2 S -","- C60 H46 N6 O4 S2 -","2","1","","Li, Shaoyu; Luo, Yong; Wu, Jie","Three-component reaction of N'-(2-alkynylbenzylidene)hydrazide, alkyne, with sulfonyl azide via a multicatalytic process: a novel and concise approach to 2-amino-H-pyrazolo[5,1-a]isoquinolines.","Organic letters","2011","13","16","4312","4315","10.1021/ol201653j","","","0.71073","MoKα","","0.0616","0.0482","","","0.1283","0.1376","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502358","8.3369","0.0002","10.0978","0.0003","12.2085","0.0003","79.814","0.001","84.022","0.001","74.014","0.001","970.78","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O -","- C28 H20 O -","- C56 H40 O2 -","2","1","","Wang, Hengbin; Denton, Justin R.; Davies, Huw M. L.","Sequential rhodium-, silver-, and gold-catalyzed synthesis of fused dihydrofurans.","Organic letters","2011","13","16","4316","4319","10.1021/ol2016548","","","1.54178","CuKα","","0.0392","0.0362","","","0.0969","0.0996","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502359","11.1319","0.0002","17.695","0.0002","13.8306","0.0002","90","","113.704","0.001","90","","2494.5","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Wang, Hengbin; Denton, Justin R.; Davies, Huw M. L.","Sequential rhodium-, silver-, and gold-catalyzed synthesis of fused dihydrofurans.","Organic letters","2011","13","16","4316","4319","10.1021/ol2016548","","","1.54178","CuKα","","0.0444","0.0412","","","0.128","0.1313","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502360","12.6439","0.0006","9.4682","0.0004","12.7332","0.0005","90","","90.963","0.004","90","","1524.14","0.11","293","2","297.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Fañanás, Francisco J; Arto, Tamara; Mendoza, Abraham; Rodríguez, Félix","Synthesis of 2,5-dihydropyridine derivatives by gold-catalyzed reactions of β-ketoesters and propargylamines.","Organic letters","2011","13","16","4184","4187","10.1021/ol201655u","","","1.54184","CuKα","","0.1117","0.0847","","","0.2328","0.2773","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502361","34.5471","0.0019","10.8695","0.0006","20.1542","0.0011","90","","117.093","0.001","90","","6737.6","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H34.5 N1.5 O4 -","- C44 H34.5 N1.5 O4 -","- C352 H276 N12 O32 -","8","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0836","0.0426","","","0.0728","0.0851","","","","","","0.868","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502362","9.9283","0.0005","29.9924","0.0015","11.1441","0.0006","90","","107.54","0.001","90","","3164.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 N2 O5 -","- C43 H32 N2 O5 -","- C172 H128 N8 O20 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0567","0.041","","","0.0991","0.1056","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502363","10.1874","0.0005","10.7672","0.0006","11.9335","0.0006","90","","90","","90","","1308.98","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0337","0.0325","","","0.0867","0.0879","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502364","9.6496","0.0006","21.2791","0.0013","17.3549","0.0011","90","","92.255","0.001","90","","3560.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 N2 O5 -","- C45 H36 N2 O5 -","- C180 H144 N8 O20 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0525","0.0443","","","0.1079","0.1138","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502365","8.293","0.0006","11.2021","0.0009","16.2621","0.0012","81.447","0.002","75.918","0.002","70.351","0.002","1376.3","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N O6 -","- C34 H29 N O6 -","- C68 H58 N2 O12 -","2","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0909","0.0477","","","0.0894","0.1007","","","","","","0.863","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502366","10.102","0.01","10.247","0.01","10.715","0.01","67.098","0.012","63.868","0.013","77.085","0.013","915.5","1.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","1","","Wang, Wen; Shen, Yongwen; Meng, Xu; Zhao, Mingming; Chen, Yongxin; Chen, Baohua","Copper-catalyzed synthesis of quinoxalines with o-phenylenediamine and terminal alkyne in the presence of bases.","Organic letters","2011","13","17","4514","4517","10.1021/ol201664x","","","0.71073","MoKα","","0.2653","0.1396","","","0.1368","0.1679","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502367","8.7653","0.0002","11.1641","0.0002","12.7663","0.0003","70.5552","0.0012","70.5023","0.001","89.8715","0.0014","1102.1","0.04","173","","173","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C23 H23 Br I N O4 -","- C23 H23 Br I N O4 -","- C46 H46 Br2 I2 N2 O8 -","2","1","","Lubriks, Dmitrijs; Sokolovs, Igors; Suna, Edgars","Iodonium salts are key intermediates in Pd-catalyzed acetoxylation of pyrroles.","Organic letters","2011","13","16","4324","4327","10.1021/ol201665c","","","0.71073","MoKα","","0.034","0.026","","0.141","0.082","0.082","","","1.183","0.921","0.921","0.92","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1502368","8.2215","0.0002","9.6598","0.0004","13.0019","0.0003","88.038","0.002","75.417","0.002","87.053","0.0012","997.76","0.05","173","","173","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C20 H19 Br I N O4 -","- C20 H19 Br I N O4 -","- C40 H38 Br2 I2 N2 O8 -","2","1","","Lubriks, Dmitrijs; Sokolovs, Igors; Suna, Edgars","Iodonium salts are key intermediates in Pd-catalyzed acetoxylation of pyrroles.","Organic letters","2011","13","16","4324","4327","10.1021/ol201665c","","","0.71073","MoKα","","0.055","0.035","","0.148","0.07","0.07","","","1.703","1.378","1.378","1.377","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1502369","12.589","0.0003","9.3093","0.0002","18.3114","0.0005","90","","105.36","","90","","2069.35","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean","1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.","Organic letters","2011","13","15","4124","4127","10.1021/ol2016669","","x-ray","0.71073","MoKα","","0.142","0.0699","","","0.1736","0.2219","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502370","13.4677","0.0002","11.5567","0.0002","13.588","0.0003","90","","91.659","0.001","90","","2113.98","0.07","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O3 -","- C24 H25 N3 O3 -","- C96 H100 N12 O12 -","4","1","","Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean","1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.","Organic letters","2011","13","15","4124","4127","10.1021/ol2016669","","x-ray","0.71073","MoKα","","0.1149","0.0713","","","0.1596","0.188","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502371","10.7346","0.0003","9.4995","0.0003","18.7661","0.0005","90","","95.215","0.002","90","","1905.72","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean","1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles.","Organic letters","2011","13","15","4124","4127","10.1021/ol2016669","","x-ray","0.71073","MoKα","","0.1631","0.0801","","","0.2384","0.3224","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502372","11.6527","0.0018","9.7093","0.0015","12.4847","0.0019","90","","110.86","0.003","90","","1319.9","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 N O2 S2 -","- C29 H29 N O2 S2 -","- C58 H58 N2 O4 S4 -","2","1","","Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L","Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group.","Organic letters","2011","13","17","4534","4537","10.1021/ol201696y","","","0.71073","MoKα","","0.0366","0.0332","","","0.0881","0.0921","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502373","9.403","0.003","10.746","0.003","14.25","0.005","90","","98.438","0.006","90","","1424.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O5 S2 -","- C30 H28 N2 O5 S2 -","- C60 H56 N4 O10 S4 -","2","1","","Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L","Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group.","Organic letters","2011","13","17","4534","4537","10.1021/ol201696y","","","0.71073","MoKα","","0.1815","0.048","","","0.0689","0.0944","","","","","","0.793","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502374","8.3672","0.0006","8.3672","0.0006","41.378","0.006","90","","90","","120","","2508.8","0.4","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H25 N O S -","- C18 H25 N O S -","- C108 H150 N6 O6 S6 -","6","1","","Collett, Nathan D.; Carter, Rich G.","Stereoselective synthesis of the eastern quinolizidine portion of himeradine A.","Organic letters","2011","13","15","4144","4147","10.1021/ol201704g","","","0.71073","MoKα","","0.0384","0.0327","","","0.0699","0.0737","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502375","7.1044","0.0006","9.9689","0.0009","17.0887","0.0015","90","","90","","90","","1210.27","0.18","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Zhu, Xi; Lin, Aijun; Shi, Yan; Guo, Jingyu; Zhu, Chengjian; Cheng, Yixiang","Enantioselective synthesis of polycyclic coumarin derivatives catalyzed by an in situ formed primary amine-imine catalyst.","Organic letters","2011","13","16","4382","4385","10.1021/ol201715h","","","0.71073","MoKα","","0.0444","0.0338","","","0.0845","0.0907","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502376","7.4994","0.0008","10.5825","0.0008","18.5973","0.0019","74.566","0.005","88.478","0.006","87.88","0.003","1421.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 Fe2 N6 -","- C34 H32 Fe2 N6 -","- C68 H64 Fe4 N12 -","2","1","","Cao, Qian-Yong; Pradhan, Tuhin; Kim, Sungtae; Kim, Jong Seung","Ferrocene-appended aryl triazole for electrochemical recognition of phosphate ions.","Organic letters","2011","13","16","4386","4389","10.1021/ol201722d","","","0.71073","MoKα","","0.1315","0.0582","","","0.125","0.155","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502377","20.685","0.002","9.8517","0.0011","20.938","0.002","90","","94.334","0.002","90","","4254.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 N3 O S Zr -","- C42 H57 N3 O S Zr -","- C168 H228 N12 O4 S4 Zr4 -","4","1","","Wang, Xinke; Chen, Zhou; Sun, Xiu-Li; Tang, Yong; Xie, Zuowei","Intramolecular hydroamination of aminoalkenes catalyzed by a cationic zirconium complex.","Organic letters","2011","13","18","4758","4761","10.1021/ol201731m","","","0.71073","MoKα","","0.2365","0.0535","","","0.0805","0.117","","","","","","0.706","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502378","9.8637","0.0012","7.3755","0.0009","21.361","0.002","90","","90","","90","","1554","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C64 H76 Br4 N8 O8 -","4","1","","Granger, Brett A.; Kaneda, Kyosuke; Martin, Stephen F.","Multicomponent assembly strategies for the synthesis of diverse tetrahydroisoquinoline scaffolds.","Organic letters","2011","13","17","4542","4545","10.1021/ol201739u","","","0.71075","MoKα","","0.0685","0.0419","","","0.0809","0.095","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502379","14.934","0.0002","9.5657","0.0001","17.7739","0.0002","90","","90","","90","","2539.08","0.05","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br2 N4 O2 -","- C11 H10 Br2 N4 O2 -","- C88 H80 Br16 N32 O16 -","8","1","","Hewlett, Nicole M.; Tepe, Jetze J.","Total synthesis of the natural product (±)-dibromophakellin and analogues.","Organic letters","2011","13","17","4550","4553","10.1021/ol201741r","","x-ray","1.54178","CuKα","","0.0355","0.0337","","","0.0814","0.0826","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502380","5.8701","0.0005","13.7261","0.0011","26.946","0.002","90","","90","","90","","2171.1","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11106a","","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","1","","Buchanan, Grant S.; Dai, Huifang; Hsung, Richard P.; Gerasyuto, Aleksey I.; Scheinebeck, Casi M.","Asymmetric aza-[3+3] annulation in the synthesis of indolizidines: an unexpected reversal of regiochemistry.","Organic letters","2011","13","16","4402","4405","10.1021/ol2017438","","","0.71073","MoKα","","0.0674","0.0389","","","0.0772","0.0904","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502381","10.2256","0.0012","10.8683","0.0013","15.1033","0.0018","92.681","0.01","108.486","0.009","110.798","0.009","1463.9","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H51 N O3 Si -","- C27 H51 N O3 Si -","- C54 H102 N2 O6 Si2 -","2","1","","Lapointe, Guillaume; Schenk, Kurt; Renaud, Philippe","Total synthesis of (±)-cylindricine C.","Organic letters","2011","13","18","4774","4777","10.1021/ol201745s","","","0.71073","MoKα","","0.103","0.0664","","","0.1966","0.2171","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502382","10.891","0.002","6.4637","0.0013","16.503","0.003","90","","101.84","0.03","90","","1137","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Tseng, Chih-Chung; Ding, Hanfeng; Li, Ang; Guan, Yucui; Chen, David Y.-K.","A modular synthesis of salvileucalin B structural domains.","Organic letters","2011","13","16","4410","4413","10.1021/ol201748x","","","0.71073","MoKα","","0.0828","0.0711","","","0.1479","0.1561","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502383","10.1866","0.0015","13.017","0.002","22.877","0.004","90","","90","","90","","3033.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 S2 -","- C33 H39 N O4 S2 -","- C132 H156 N4 O16 S8 -","4","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0646","0.0592","","","0.1218","0.1249","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502384","8.7786","0.0018","14.075","0.003","24.58","0.005","90","","90","","90","","3037.1","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 S2 -","- C33 H39 N O4 S2 -","- C132 H156 N4 O16 S8 -","4","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0672","0.0582","","","0.1045","0.1093","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502385","13.347","0.004","5.152","0.0015","19.349","0.006","90","","97.644","0.004","90","","1318.7","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C60 H70 N2 O10 -","2","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0522","0.0477","","","0.0981","0.1006","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502386","12.634","0.003","8.8253","0.0018","14.418","0.003","90","","115.1","0.03","90","","1455.8","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 N O6 -","- C32 H39 N O6 -","- C64 H78 N2 O12 -","2","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0484","0.0422","","","0.1231","0.1346","","","","","","1.231","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502387","12.771","0.002","9.914","0.0017","18.545","0.003","90","","90","","90","","2348","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Shen, Hao; Wang, Yang; Xie, Zuowei","Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides.","Organic letters","2011","13","17","4562","4565","10.1021/ol201752e","","","0.71073","MoKα","","0.0772","0.0477","","","0.1321","0.1717","","","","","","0.965","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502388","9.8597","0.0006","10.9565","0.0008","11.4297","0.0007","109.843","0.001","96.118","0.001","111.059","0.001","1046.46","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H21 N3 -","- C28 H21 N3 -","- C56 H42 N6 -","2","1","","Shen, Hao; Wang, Yang; Xie, Zuowei","Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides.","Organic letters","2011","13","17","4562","4565","10.1021/ol201752e","","","0.71073","MoKα","","0.079","0.0476","","","0.1246","0.1465","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502389","12.9716","0.0009","10.05307","0.0001","12.4057","0.0002","90","","114.727","0.008","90","","1469.43","0.14","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Urabe, Daisuke; Yamaguchi, Hiroki; Inoue, Masayuki","Application of α-alkoxy bridgehead radical for coupling of oxygenated carbocycles.","Organic letters","2011","13","18","4778","4781","10.1021/ol201758a","","","1.54187","CuKα","","","0.0372","","","","0.0934","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502390","19.947","0.002","13.3646","0.0015","11.2796","0.0013","90","","105.507","0.002","90","","2897.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C128 H144 N16 O24 -","8","2","","Goldberg, Alexander F. G.; Stoltz, Brian M.","A palladium-catalyzed vinylcyclopropane (3+2) cycloaddition approach to the Melodinus alkaloids.","Organic letters","2011","13","16","4474","4476","10.1021/ol2017615","","","0.71073","MoKα","","0.0748","0.0507","","","0.0645","0.0664","","","","","","2.16","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1502391","7.6777","0.0003","9.1864","0.0003","10.8584","0.0004","71.309","0.002","69.829","0.002","75.759","0.001","673.01","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Goldberg, Alexander F. G.; Stoltz, Brian M.","A palladium-catalyzed vinylcyclopropane (3+2) cycloaddition approach to the Melodinus alkaloids.","Organic letters","2011","13","16","4474","4476","10.1021/ol2017615","","","0.71073","MoKα","","0.0829","0.0623","","","0.0933","0.0954","","","","","","2.646","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1502392","11.0839","0.0002","7.5405","0.0001","12.2852","0.0002","90","","106.18","0.001","90","","986.1","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Morris, Erin N.; Nenninger, E. Katherine; Pike, Robert D.; Scheerer, Jonathan R.","Diels-Alder cycloaddition of chiral nonracemic 2,5-diketopiperazine dienes.","Organic letters","2011","13","16","4430","4433","10.1021/ol201768f","","","1.54178","CuKα","","0.0249","0.0247","","","0.062","0.0621","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502393","8.6914","0.0013","12.794","0.002","22.586","0.004","90","","90","","90","","2511.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O7 S -","- C26 H25 N O7 S -","- C104 H100 N4 O28 S4 -","4","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0423","0.0363","","","0.0762","0.0788","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502394","9.412","0.003","9.97","0.004","13.453","0.005","90","","93.383","0.005","90","","1260.2","0.8","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O7 -","- C27 H23 Br N2 O7 -","- C54 H46 Br2 N4 O14 -","2","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0859","0.0667","","","0.1428","0.1469","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502395","9.04","0.003","13.448","0.004","10.514","0.003","90","","93.69","0.004","90","","1275.5","0.7","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 N O7 S -","- C27 H27 N O7 S -","- C54 H54 N2 O14 S2 -","2","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0437","0.0361","","","0.07","0.0726","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502396","8.672","0.002","11.45","0.003","18.265","0.005","90","","95.833","0.005","90","","1804.2","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Cl N2 O5 -","- C23 H13 Cl N2 O5 -","- C92 H52 Cl4 N8 O20 -","4","1","","Chou, Teh-Chang; Lin, Kuen-Cheng; Kon-no, Masaru; Lee, Chih-Ching; Shinmyozu, Teruo","Quinoxaline-embedded polyacenoquinone esters: synthesis, electronic properties, and crystal structure.","Organic letters","2011","13","17","4588","4591","10.1021/ol2017774","","","0.71073","MoKα","","0.0895","0.0651","","","0.1282","0.1379","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502397","18.4007","0.0012","5.1306","0.0003","17.9799","0.0012","90","","92.708","0.006","90","","1695.53","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Cl N2 O5 -","- C22 H11 Cl N2 O4 -","- C88 H44 Cl4 N8 O16 -","4","1","","Chou, Teh-Chang; Lin, Kuen-Cheng; Kon-no, Masaru; Lee, Chih-Ching; Shinmyozu, Teruo","Quinoxaline-embedded polyacenoquinone esters: synthesis, electronic properties, and crystal structure.","Organic letters","2011","13","17","4588","4591","10.1021/ol2017774","","","1.54178","CuKα","","0.0818","0.052","","","0.1335","0.1626","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502398","7.8071","0.0007","30.742","0.003","8.1999","0.0007","90","","103.408","0.001","90","","1914.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br2 N O -","- C22 H15 Br2 N O -","- C88 H60 Br8 N4 O4 -","4","1","","Zhang, Xinying; Jia, Xuefei; Fang, Liangliang; Liu, Nan; Wang, Jianji; Fan, Xuesen","Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles.","Organic letters","2011","13","19","5024","5027","10.1021/ol201789z","","","0.71073","MoKα","","0.0577","0.0323","","","0.0727","0.0822","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502399","8.14","0.005","11.896","0.007","12.943","0.007","90","","90","","90","","1253.3","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C52 H48 Cl4 N4 O4 -","4","1","","Zhang, Xinying; Jia, Xuefei; Fang, Liangliang; Liu, Nan; Wang, Jianji; Fan, Xuesen","Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles.","Organic letters","2011","13","19","5024","5027","10.1021/ol201789z","","","0.71073","MoKα","","0.0485","0.0358","","","0.0836","0.0925","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502400","9.389","0.0005","15.1811","0.0007","44.014","0.0019","90","","90","","90","","6273.6","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Br N O3 -","- C38 H42 Br N O3 -","- C304 H336 Br8 N8 O24 -","8","2","","Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D.","Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine.","Organic letters","2011","13","18","4786","4789","10.1021/ol2017966","","","0.71073","MoKα","","0.058","0.041","","","0.0817","0.0874","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502401","7.1374","0.0003","10.4915","0.0005","23.5245","0.0012","96.57","0.003","91.75","0.003","108.864","0.002","1651.72","0.14","143","1","143","1","","","","","","","","4","P 1","P 1","1","","","","- C38 H41 N3 O7 -","- C38 H41 N3 O7 -","- C76 H82 N6 O14 -","2","2","","Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D.","Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine.","Organic letters","2011","13","18","4786","4789","10.1021/ol2017966","","","0.71073","MoKα","","0.0581","0.0504","","","0.13","0.1375","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502402","10.1508","0.0002","10.378","0.0002","15.321","0.0004","90","","99.993","0.001","90","","1589.5","0.06","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Pieters, Grégory; Gaucher, Anne; Marrot, Jérôme; Maurel, François; Naubron, Jean-Valère; Jean, Marion; Vanthuyne, Nicolas; Crassous, Jeanne; Prim, Damien","New chiral cyclooctatriene-based polycyclic architectures.","Organic letters","2011","13","16","4450","4453","10.1021/ol201804h","","","0.71073","MoKα","","0.0492","0.0478","","","0.1052","0.106","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502403","23.3176","0.0006","10.4397","0.0003","16.694","0.0005","90","","98.771","0.001","90","","4016.3","0.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","(1E,3E,5E,7E)-1,2,3,4,5,6,7,8-Octaphenyl-1,3,5,7-octatetraene","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","0.5","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0517","0.038","","","0.111","0.1351","","","","","","1.169","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502404","10.395","0.0004","11.2458","0.0005","15.6129","0.0006","94.493","0.002","107.09","0.001","100.745","0.002","1696.66","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,4,5,6,7,8-Octa(2-thiophenyl)tricyclo[3.2.1.02,7]oct-3-ene","","- C40 H26 S8 -","- C40 H26 S8 -","- C80 H52 S16 -","2","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0546","0.0402","","","0.1194","0.1526","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502405","9.9211","0.0007","11.141","0.0008","12.3491","0.0009","87.69","0.002","76.15","0.002","84.828","0.002","1319.63","0.16","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","(2E,4E,6E,8E)-4,7-Dimethyl-3,5,6,8-tetraphenyl-2,4,6,8-decatetraene","","- C36 H34 -","- C36 H34 -","- C72 H68 -","2","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0542","0.0375","","","0.0883","0.0987","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502406","10.4203","0.0002","38.0328","0.0008","10.0996","0.0002","90","","106.116","0.001","90","","3845.31","0.13","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.1038","0.0588","","","0.176","0.2164","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502407","10.2553","0.0002","20.286","0.0005","20.0538","0.0004","90","","104.01","0.001","90","","4047.87","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H44 Cl2 -","- C57 H44 Cl2 -","- C228 H176 Cl8 -","4","1","","Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting","Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.","Organic letters","2011","13","18","4794","4797","10.1021/ol201814q","","","0.71073","MoKα","","0.0878","0.0528","","","0.1464","0.1814","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502408","15.086","0.006","6.17","0.003","16.881","0.007","90","","105.94","0.02","90","","1510.9","1.1","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Dunlap, Norma; Lankford, Kevin R.; Pathiranage, Anuradha Liyana; Taylor, Jessica; Reddy, Nikhil; Gouger, Daniel; Singer, Phillip; Griffin, Kent; Reibenspies, Joseph","Three-step synthesis of cyclopropyl peptidomimetics.","Organic letters","2011","13","18","4879","4881","10.1021/ol201828u","","","1.54178","CuKα","","0.1617","0.0949","","","0.2001","0.2444","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502409","22.05","0.003","11.6489","0.0007","26.955","0.003","90","","108.028","0.013","90","","6583.7","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H143.2 F24 N8 O30.6 P4 -","- C120 H143.2 F24 N8 O30.6 P4 -","- C240 H286.4 F48 N16 O61.2 P8 -","2","0.5","","Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand-type [3]pseudorotaxane and ""hook-ring"" polypseudo[2]catenane based on a bis(m-phenylene)-32-crown-10 derivative and bisparaquat derivatives.","Organic letters","2011","13","17","4616","4619","10.1021/ol201837x","","x-ray","1.54178","CuKα","","0.2203","0.1357","","","0.3536","0.4209","","","","","","1.207","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502410","13.4807","0.0006","13.8068","0.0005","26.5793","0.001","92.123","0.003","99.809","0.004","98.463","0.003","4811.9","0.3","99.9","","99.9","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H97.72 F24 N11 O14.37 P4 -","- C88 H97 F24 N11 O14.363 P4 -","- C176 H194 F48 N22 O28.726 P8 -","2","1","","Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand-type [3]pseudorotaxane and ""hook-ring"" polypseudo[2]catenane based on a bis(m-phenylene)-32-crown-10 derivative and bisparaquat derivatives.","Organic letters","2011","13","17","4616","4619","10.1021/ol201837x","","x-ray","1.54178","CuKα","","0.1571","0.1054","","","0.2556","0.2857","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502411","9.5327","0.0001","14.3362","0.0002","11.4665","0.0005","90","","109.175","0.0008","90","","1480.1","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O14 -","- C32 H30 O14 -","- C64 H60 O28 -","2","1","","Kikuchi, Haruhisa; Isobe, Masato; Sekiya, Mizuki; Abe, Yuko; Hoshikawa, Tsuyoshi; Ueda, Kazunori; Kurata, Shoichiro; Katou, Yasuhiro; Oshima, Yoshiteru","Structures of the dimeric and monomeric chromanones, gonytolides A-C, isolated from the fungus Gonytrichum sp. and their promoting activities of innate immune responses.","Organic letters","2011","13","17","4624","4627","10.1021/ol2018449","","","1.54187","CuKα","","","0.0688","","","","0.2288","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502412","38.344","0.011","11.346","0.003","18.236","0.005","90","","112.657","0.008","90","","7321","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H31 Cl3 N2 -","- C46 H31 Cl3 N2 -","- C368 H248 Cl24 N16 -","8","1","","Wei, Xiaohong; Zhao, Miao; Du, Zhengyin; Li, Xingwei","Synthesis of 1-aminoisoquinolines via Rh(III)-catalyzed oxidative coupling.","Organic letters","2011","13","17","4636","4639","10.1021/ol2018505","","","0.71073","MoKα","","0.1258","0.0846","","","0.2255","0.2632","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502413","7.1962","0.0002","9.5745","0.0003","21.0083","0.0006","90","","90","","90","","1447.47","0.07","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Ito, Yuji; Takahashi, Kazunori; Nagase, Hiromasa; Honda, Toshio","Integral stereocontrolled synthesis of a spiro-norlignan, sequosempervirin A: revision of absolute configuration.","Organic letters","2011","13","17","4640","4643","10.1021/ol2018533","","","1.54187","CuKα","","","0.049","","","","0.1155","","","","","","1.071","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502414","35.134","0.003","9.7804","0.001","28.186","0.003","90","","124.979","0.001","90","","7935.9","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C51 H42 Cl2 -","- C51 H42 Cl2 -","- C408 H336 Cl16 -","8","1","","Chen, Tse-An; Liu, Rai-Shung","Synthesis of large polycyclic aromatic hydrocarbons from bis(biaryl)acetylenes: large planar PAHs with low π-sextets.","Organic letters","2011","13","17","4644","4647","10.1021/ol201854g","","","0.71073","MoKα","","0.062","0.0431","","","0.1061","0.1143","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502415","5.9165","0.0011","15.54","0.003","17.695","0.003","102.054","0.004","92.986","0.004","97.261","0.004","1573.1","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C50 H36 -","- C50 H36 -","- C100 H72 -","2","1","","Chen, Tse-An; Liu, Rai-Shung","Synthesis of large polycyclic aromatic hydrocarbons from bis(biaryl)acetylenes: large planar PAHs with low π-sextets.","Organic letters","2011","13","17","4644","4647","10.1021/ol201854g","","","0.71073","MoKα","","0.2018","0.095","","","0.2278","0.2755","","","","","","1.038","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1502416","9.9898","0.0007","14.5484","0.001","15.5784","0.001","93.462","0.001","94.603","0.001","101.437","0.001","2205.2","0.3","173","","173","","","","","","","","","3","P -1","-P 1","2","bis(TTF)allene","","","- C41.5 H35.5 S12 -","- C41.5 H33.5 S12 -","- C83 H67 S24 -","2","1","","Hasegawa, Masashi; Sone, Yasuto; Iwata, Seiya; Matsuzawa, Hideyo; Mazaki, Yasuhiro","Tetrathiafulvalenylallene: a new class of donor molecules having strong chiroptical properties in neutral and doped states.","Organic letters","2011","13","17","4688","4691","10.1021/ol201857f","","","0.71073","MoKα","","0.055","0.0394","","","0.1045","0.1243","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502417","14.7468","0.0005","5.0698","0.0002","21.3719","0.0007","90","","100.896","0.002","90","","1569.03","0.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 5-methoxy-4-(4-methoxybenzamido)pentanoate","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Cui, Sunliang; Wojtas, Lukasz; Antilla, Jon C.","Pd-catalyzed C4-olefination of oxazoles via C-H bond activation: divergent synthesis of functionalized amino alcohol and amino acid derivatives.","Organic letters","2011","13","19","5040","5043","10.1021/ol201865h","","","1.54178","CuKα","","0.0379","0.0352","","","0.0828","0.0844","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502418","8.2071","0.0013","20.451","0.003","8.7017","0.0015","90","","119.334","0.01","90","","1273.3","0.4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br F3 O4 -","- C11 H10 Br F3 O4 -","- C44 H40 Br4 F12 O16 -","4","1","","Hoque, Md Mahbubul; Miyamoto, Kazunori; Tada, Norihiro; Shiro, Motoo; Ochiai, Masahito","Synthesis and structure of hypervalent diacetoxybromobenzene and aziridination of olefins with imino-λ3-bromane generated in situ under metal-free conditions.","Organic letters","2011","13","20","5428","5431","10.1021/ol201868n","","","1.54187","CuKα","","","0.0348","","","","0.1074","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502419","6.662","","10.282","","27.01","","90","","90","","90","","1850.15","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Sau, Míriam; Rodríguez-Escrich, Carles; Pericàs, Miquel A","Copper-free intramolecular alkyne-azide cycloadditions leading to seven-membered heterocycles.","Organic letters","2011","13","19","5044","5047","10.1021/ol201869y","","","0.71073","MoKα","","0.0356","0.034","","","0.0929","0.0944","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502420","27.867","0.003","10.0431","0.0008","14.5453","0.0011","90","","98.547","0.009","90","","4025.6","0.6","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N5 -","- C24 H23 N5 -","- C192 H184 N40 -","8","1","","Mukhopadhyay, Chhanda; Das, Paramita; Butcher, Ray J.","An expeditious and efficient synthesis of highly functionalized [1,6]-naphthyridines under catalyst-free conditions in aqueous medium.","Organic letters","2011","13","17","4664","4667","10.1021/ol201877v","","","1.54184","CuKα","","0.0604","0.0488","","","0.1328","0.1433","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502421","11.1415","0.0012","18.793","0.002","9.4189","0.001","90","","105.454","0.002","90","","1900.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl2 O4 -","- C23 H16 Cl2 O4 -","- C92 H64 Cl8 O16 -","4","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0526","0.047","","","0.1317","0.1362","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502422","7.8242","0.0004","17.4981","0.001","19.6551","0.0012","100.75","0.001","95.93","0.001","92.897","0.001","2622.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H29 Cl15 N2 O8 -","- C47 H29 Cl15 N2 O8 -","- C94 H58 Cl30 N4 O16 -","2","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0798","0.0677","","","0.1752","0.1849","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502423","15.8758","0.0008","20.1039","0.001","21.5485","0.0011","90","","90","","90","","6877.5","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C66.5 H44 Cl3 F6 Fe2 N2 O17 S2 -","- C66.5 H44 Cl3 F6 Fe2 N2 O17 S2 -","- C266 H176 Cl12 F24 Fe8 N8 O68 S8 -","4","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0878","0.082","","","0.2238","0.2311","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502424","8.2013","0.0016","9.0211","0.0017","19.626","0.004","101.298","0.004","92.107","0.004","93.397","0.004","1419.6","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Cl11 Cu2 N4 O16 -","- C49 H46 Cl11 Cu2 N4 O16 -","- C49 H46 Cl11 Cu2 N4 O16 -","1","0.5","","Jung, Hyo Sung; Han, Ji Hye; Kim, Zee Hwan; Kang, Chulhun; Kim, Jong Seung","Coumarin-Cu(II) ensemble-based cyanide sensing chemodosimeter.","Organic letters","2011","13","19","5056","5059","10.1021/ol2018856","","","0.71073","MoKα","","0.087","0.0571","","","0.1375","0.1566","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502425","9.768","0.002","10.747","0.002","22.023","0.004","90","","90","","90","","2311.9","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt.","Organic letters","2011","13","19","5060","5063","10.1021/ol2018888","","","1.54178","CuKα","","0.0306","0.029","","","0.0654","0.0694","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502426","11.19","0.002","13.078","0.003","16.013","0.003","90","","90","","90","","2343.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt.","Organic letters","2011","13","19","5060","5063","10.1021/ol2018888","","","1.54178","CuKα","","0.0325","0.0296","","","0.0687","0.0794","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502427","8.9942","0.0005","9.2272","0.0006","12.0198","0.0008","99.073","0.005","104.225","0.005","101.47","0.005","924.97","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","0.71073","MoKα","","0.0715","0.0382","","","0.09","0.0989","","","","","","0.911","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502428","21.9909","0.0008","13.9411","0.0006","6.3316","0.0002","90","","90","","90","","1941.13","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C92 H80 N8 O12 -","4","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","1.54184","CuKα","","0.0878","0.0709","","","0.1927","0.2122","","","","","","1.041","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502429","29.2867","0.0013","29.2867","0.0013","10.8321","0.0005","90","","90","","120","","8046.1","0.6","566","2","566","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H17 N O -","- C24 H17 N O -","- C432 H306 N18 O18 -","18","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","1.54184","CuKα","","0.0492","0.0389","","","0.1026","0.1088","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502430","11.0581","0.0005","11.0581","0.0005","20.481","0.004","90","","90","","90","","2504.4","0.5","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Oxaazapine","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C112 H144 N16 O16 -","8","1","","Pandey, Ganesh; C, Prasanna Kumara","Iminium ion cascade reaction in the total synthesis of (+)-vincadifformine.","Organic letters","2011","13","17","4672","4675","10.1021/ol201892j","","","0.71073","MoKα","","0.0335","0.0309","","","0.0815","0.0841","","","","","","1.081","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502431","12.6266","0.0003","23.2738","0.0005","19.6457","0.0004","90","","95.122","0.002","90","","5750.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 Br O10 -","- C54 H67 Br O10 -","- C216 H268 Br4 O40 -","4","1","","Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe","Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces.","Organic letters","2011","13","18","4818","4821","10.1021/ol2018938","","","0.71073","MoKα","","0.0559","0.0469","","","0.1344","0.1419","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502432","36.409","0.003","11.5008","0.0005","12.1481","0.0005","90","","90","","90","","5086.8","0.5","293","2","293","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C57 H74 O11 -","- C57 H74 O11 -","- C228 H296 O44 -","4","1","","Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe","Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces.","Organic letters","2011","13","18","4818","4821","10.1021/ol2018938","","","1.54184","CuKα","","0.1036","0.0887","","","0.2634","0.2921","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502433","9.9577","0.0006","13.8736","0.0008","8.9291","0.0005","90","","96.997","0.002","90","","1224.36","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F2 N O -","- C15 H13 F2 N O -","- C60 H52 F8 N4 O4 -","4","1","","Lin, Riyuan; Ding, Shengtao; Shi, Zhuangzhi; Jiao, Ning","An efficient difluorohydroxylation of indoles using selectfluor as a fluorinating reagent.","Organic letters","2011","13","17","4498","4501","10.1021/ol201896p","","","0.71073","MoKα","","0.0415","0.0382","","","0.1068","0.1108","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502434","8.857","0.0001","11.004","0.0001","19.2087","0.0002","90","","90","","90","","1872.13","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O7 -","- C18 H20 N2 O7 -","- C72 H80 N8 O28 -","4","1","","Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu","The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides.","Organic letters","2011","13","17","4680","4683","10.1021/ol201898x","","","1.54184","CuKα","","0.04","0.0395","","","0.1209","0.1222","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502435","23.8735","0.0004","10.3412","0.0001","23.7886","0.0003","90","","107.843","0.001","90","","5590.45","0.13","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H93 F4 N8 O25 -","- C128 H93 F4 N8 O25 -","- C256 H186 F8 N16 O50 -","2","0.5","","Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu","The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides.","Organic letters","2011","13","17","4680","4683","10.1021/ol201898x","","","1.54184","CuKα","","0.0441","0.0427","","","0.1223","0.1242","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502436","11.6459","0.0008","4.9893","0.0004","16.0289","0.0011","90","","109.236","0.004","90","","879.36","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Ingle, Gajendrasingh K.; Mormino, Michael G.; Wojtas, Lukasz; Antilla, Jon C.","Chiral phosphoric acid-catalyzed addition of thiols to N-acyl imines: access to chiral N,S-acetals.","Organic letters","2011","13","18","4822","4825","10.1021/ol201899c","","","1.54178","CuKα","","0.0601","0.05","","","0.1155","0.1225","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502437","18.568","","8.451","","16.951","","90","","91.12","","90","","2659.41","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N -","- C32 H36 B N -","- C128 H144 B4 N4 -","4","1","","Pan, Hong; Fu, Guang-Liang; Zhao, Yi-Hong; Zhao, Cui-Hua","Through-space charge-transfer emitting biphenyls containing a boryl and an amino group at the o,o'-positions.","Organic letters","2011","13","18","4830","4833","10.1021/ol201909r","","","0.71073","MoKα","","0.0679","0.0508","","","0.1409","0.155","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502438","12.3795","0.0008","16.3654","0.001","21.5944","0.0014","91.21","0.003","94.228","0.003","112.025","0.003","4039","0.5","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C80 H94 Cl9 N7 O7 -","- C80 H94 Cl9 N7 O7 -","- C160 H188 Cl18 N14 O14 -","2","1","","Dzyuba, Egor V.; Kaufmann, Lena; Löw, Nora L; Meyer, Annika K.; Winkler, Henrik D. F.; Rissanen, Kari; Schalley, Christoph A.","CH···O hydrogen bonds in ""clicked"" diketopiperazine-based amide rotaxanes.","Organic letters","2011","13","18","4838","4841","10.1021/ol201915j","","x-ray","0.71073","MoKα","","0.2584","0.1375","","","0.339","0.3956","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502439","25.2131","0.0009","10.2122","0.0004","9.6812","0.0003","90","","92.312","0.002","90","","2490.7","0.15","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H25 F O4 -","- C32 H25 F O4 -","- C128 H100 F4 O16 -","4","1","","Fang, Xinqiang; Chen, Xingkuan; Chi, Yonggui Robin","Enantioselective Diels-Alder reactions of enals and alkylidene diketones catalyzed by N-heterocyclic carbenes.","Organic letters","2011","13","17","4708","4711","10.1021/ol201917u","","","0.71073","MoKα","","0.0521","0.0402","","","0.1046","0.1232","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502440","12.535","0.002","8.525","0.001","10.325","0.001","90","","97.507","0.011","90","","1093.9","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl O4 -","- C11 H9 Cl O4 -","- C44 H36 Cl4 O16 -","4","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0634","0.0419","","","0.0965","0.1029","","","","","","0.954","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502441","8.3121","0.0006","8.8281","0.0005","27.683","0.002","90","","90","","90","","2031.4","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O12 -","- C17 H22 O12 -","- C68 H88 O48 -","4","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0637","0.0417","","","0.0886","0.0938","","","","","","0.942","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502442","6.458","0.005","10.738","0.001","12.738","0.001","90","","102.324","0.009","90","","863","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O7 -","- C15 H23 N O7 -","- C30 H46 N2 O14 -","2","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0712","0.0496","","","0.0941","0.1055","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502443","8.257","0.001","12.014","0.002","9.095","0.001","90","","104.18","0.01","90","","874.7","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H47 N2 O14.5 -","- C30 H47 N2 O14.5 -","- C30 H47 N2 O14.5 -","1","0.5","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.1132","0.0676","","","0.1077","0.125","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502444","11.1402","0.0016","8.2454","0.0011","22.881","0.003","90","","99.42","0.003","90","","2073.4","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C90 H72 Br4 N12 O11 -","- C90 H72 Br4 N12 O11 -","- C90 H72 Br4 N12 O11 -","1","0.5","","Lan, Yu-Bao; Zhao, Hua; Liu, Zhao-Min; Liu, Guo-Gui; Tao, Jing-Chao; Wang, Xing-Wang","Chiral counteranion synergistic organocatalysis under high temperature: efficient construction of optically pure spiro[cyclohexanone-oxindole] backbone.","Organic letters","2011","13","18","4866","4869","10.1021/ol201943g","","","0.71075","MoKα","","0.0747","0.0455","","","0.067","0.0777","","","","","","0.86","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502445","21.7595","0.0015","5.8572","0.0004","15.7081","0.0011","90","","97.045","0.001","90","","1986.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11111a","","","- C22 H26 N O3 P -","- C22 H26 N O3 P -","- C88 H104 N4 O12 P4 -","4","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.0656","0.0413","","","0.0901","0.1025","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502446","17.2125","0.0012","13.291","0.0009","9.4159","0.0006","90","","94.299","0.001","90","","2148","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11116a","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C92 H112 N4 O12 P4 -","4","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.099","0.0743","","","0.1724","0.1832","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502447","5.8722","0.0013","9.695","0.002","9.999","0.002","109.909","0.002","93.647","0.002","97.854","0.002","526.49","0.19","173","2","173","2","","","","","","","","5","P 1","P 1","1","11121z","","","- C23 H28 N O3 P -","- C23 H28 N O3 P -","- C23 H28 N O3 P -","1","1","","DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P.","Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides.","Organic letters","2011","13","18","4862","4865","10.1021/ol201947b","","","0.71073","MoKα","","0.0679","0.0506","","","0.0926","0.1001","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502448","10.5529","0.0005","10.6825","0.0005","11.6653","0.0006","112.531","0.001","95.396","0.001","108.115","0.001","1119.91","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N5 O2 -","- C27 H23 N5 O2 -","- C54 H46 N10 O4 -","2","1","","Zibinsky, Mikhail; Fokin, Valery V.","Reactivity of N-(1,2,4-triazolyl)-substituted 1,2,3-triazoles.","Organic letters","2011","13","18","4870","4872","10.1021/ol201949h","","","0.71073","MoKα","","0.0357","0.0324","","","0.0802","0.0829","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502449","6.6019","0.0001","7.9218","0.0001","18.1666","0.0004","90","","90","","90","","950.09","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C24 H48 N8 O16 S8 -","4","1","","Woolven, Holly; González-Rodríguez, Carlos; Marco, Isabel; Thompson, Amber L.; Willis, Michael C.","DABCO-bis(sulfur dioxide), DABSO, as a convenient source of sulfur dioxide for organic synthesis: utility in sulfonamide and sulfamide preparation.","Organic letters","2011","13","18","4876","4878","10.1021/ol201957n","","","0.71073","MoKα","","0.0385","0.0364","","0.0983","0.0946","0.0983","","","","","","0.9777","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502450","11.367","0.002","9.0168","0.0018","11.449","0.002","90","","94.36","0.03","90","","1170.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O8 -","- C24 H24 N2 O8 -","- C48 H48 N4 O16 -","2","1","","Yin, Biao-Lin; Zhang, Ze-Ren; Xu, Li-Wen; Jiang, Huanfeng","Highly facialselective synthesis of pyranose 1,3-oxazines and their ring opening with nucleophiles: a novel entry to 2-C-branched glycosides.","Organic letters","2011","13","19","5088","5091","10.1021/ol2019604","","","0.71073","MoKα","","0.1312","0.0525","","","0.1203","0.186","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502451","25.372","0.004","6.9965","0.0011","13.992","0.002","90","","109.771","0.002","90","","2337.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 Br N O3 S -","- C11 H12 Br N O3 S -","- C88 H96 Br8 N8 O24 S8 -","8","1","","Samarakoon, Thiwanka B.; Loh, Joanna K.; Rolfe, Alan; Le, Lisa S.; Yoon, Sun Young; Lushington, Gerald H.; Hanson, Paul R.","A modular reaction pairing approach to the diversity-oriented synthesis of fused- and bridged-polycyclic sultams.","Organic letters","2011","13","19","5148","5151","10.1021/ol201962n","","","0.71073","MoKα","","0.0305","0.0282","","","0.0793","0.0802","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502452","4.8422","0.0015","12.266","0.003","22.2","0.005","90","","91.512","0.007","90","","1318.1","0.6","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 F4 N2 O -","- C18 H6 F4 N2 O -","- C72 H24 F16 N8 O4 -","4","1","","Mamada, Masashi; Pérez-Bolívar, César; Anzenbacher, Jr, Pavel","Green synthesis of polycyclic benzimidazole derivatives and organic semiconductors.","Organic letters","2011","13","18","4882","4885","10.1021/ol201973w","","","0.71075","MoKα","","0.0695","0.0462","","","0.0982","0.1082","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502453","5.6443","0.0001","8.8426","0.0002","33.8277","0.0006","90","","90","","90","","1688.35","0.06","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(-)-1-(4-Bromobenzylidene)-2-isopropenyl-1,2- dihydronaphtho[2,1-b]furan [(S)-(-)-3k]","","- C22 H17 Br O -","- C22 H17 Br O -","- C88 H68 Br4 O4 -","4","1","","Okamoto, Ryuichi; Okazaki, Eri; Noguchi, Keiichi; Tanaka, Ken","Rhodium-catalyzed olefin isomerization/enantioselective intramolecular Alder-ene reaction cascade.","Organic letters","2011","13","18","4894","4897","10.1021/ol201986e","","","1.54187","CuKα","","0.0202","0.0198","","","0.0506","0.0509","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502454","18.0698","0.0006","18.8957","0.0007","19.9815","0.0007","90","0.005","96.632","0.002","90","0.005","6776.9","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cl4 N8 Pd2 S12 -","- C59 H58 Cl2 N8 Pd2 S12 -","- C236 H232 Cl8 N32 Pd8 S48 -","4","1","","Bejger, Christopher; Davis, Christina M.; Park, Jung Su; M Lynch, Vincent; Love, Jason B.; Sessler, Jonathan L.","Palladium induced macrocyclic preorganization for stabilization of a tetrathiafulvalene mixed-valence dimer.","Organic letters","2011","13","18","4902","4905","10.1021/ol201992x","","","0.71069","MoKα","","0.0585","0.0406","","","0.1078","0.1162","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502455","9.896","0.002","11.39","0.002","12.46","0.003","90","","90","","90","","1404.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","1","","Chen, Weiliang; Cai, Yunfei; Fu, Xuan; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Enantioselective one-pot synthesis of 2-amino-4-(indol-3-yl)-4H-chromenes.","Organic letters","2011","13","18","4910","4913","10.1021/ol2019949","","","1.54178","CuKα","","0.0458","0.0415","","","0.0842","0.0853","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502456","15.225","0.003","5.1545","0.0009","24.691","0.005","90","","103.279","0.003","90","","1885.9","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","","Zhu, Shujie; Dong, Jia; Fu, Shaomin; Jiang, Huanfeng; Zeng, Wei","Cu(II)-catalyzed intermolecular amidation of C-acylimine: a convenient access to gem-diamino acid derivatives.","Organic letters","2011","13","18","4914","4917","10.1021/ol2019955","","","0.71073","MoKα","","0.075","0.0487","","","0.1344","0.1518","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502457","7.6066","0.0001","9.2391","0.0001","14.9025","0.0002","83.0578","0.0007","87.1663","0.0007","84.9449","0.0006","1034.8","0.02","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C48 H58 N2 O8 -","2","1","","Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J.","Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy.","Organic letters","2011","13","19","5132","5135","10.1021/ol202000w","","","0.71073","MoKα","","0.0652","0.043","","0.1377","0.1043","0.1377","","","","","","0.9617","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502458","9.2396","0.0001","14.8406","0.0002","27.0972","0.0003","90","","90","","90","","3715.6","0.08","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J.","Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy.","Organic letters","2011","13","19","5132","5135","10.1021/ol202000w","","","0.71073","MoKα","","0.0764","0.0446","","0.1409","0.1044","0.1409","","","","","","0.9789","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502459","27.1086","0.0004","5.9741","0.0001","29.628","0.002","90","","113.48","0.008","90","","4400.9","0.4","85","2","85","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C216 H232 N8 O24 -","8","1","","Ward, Amanda F.; Wolfe, John P.","Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols.","Organic letters","2011","13","17","4728","4731","10.1021/ol2020048","","","1.54187","CuKα","","0.0915","0.0672","","","0.175","0.1983","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502460","9.2829","0.0002","5.7495","0.0001","38.036","0.003","90","","95.679","0.007","90","","2020.09","0.17","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","2","","Ward, Amanda F.; Wolfe, John P.","Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols.","Organic letters","2011","13","17","4728","4731","10.1021/ol2020048","","","1.54178","CuKα","","0.0346","0.033","","","0.0832","0.084","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502461","8.786","0.0002","10.5897","0.0002","29.0329","0.0005","90","","90","","90","","2701.25","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 N3 O6 -","- C31 H31 N3 O6 -","- C124 H124 N12 O24 -","4","1","","Yang, Zhicai; Jin, Xiaomin; Guaciaro, Michael; Molino, Bruce F.; Mocek, Ursula; Reategui, Ricardo; Rhea, Joshua; Morley, Tim","The revised structure, total synthesis, and absolute configuration of streptophenazine A.","Organic letters","2011","13","20","5436","5439","10.1021/ol202005u","","x-ray","1.54178","CuKα","","0.0334","0.0323","","","0.0855","0.0864","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502462","11.7004","0.0012","15.9776","0.0013","7.1602","0.0006","90","","107.25","0.005","90","","1278.4","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.0717","0.0441","","","0.1017","0.1172","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502463","16.0446","0.0014","4.764","0.0004","13.4292","0.0015","90","","94.887","0.007","90","","1022.75","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.0649","0.0481","","","0.1157","0.1274","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502464","5.178","0.0002","7.4431","0.0003","22.6665","0.0009","85.6807","0.0019","87.5095","0.0019","80.988","0.002","859.9","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C32 H36 N12 O8 -","4","2","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.0578","0.055","","","0.1325","0.1337","","","","","","1.25","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502465","9.764","0.003","4.8363","0.0015","45.628","0.014","90","","91.567","0.005","90","","2153.8","1.1","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N5 O4 -","- C23 H19 N5 O4 -","- C92 H76 N20 O16 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Mosey, Nicholas J.; Petitjean, Anne","Alkoxyamine-derived formamidines: configurational control and molecular folding.","Organic letters","2011","13","19","5160","5163","10.1021/ol202032k","","","0.71073","MoKα","","0.1782","0.1444","","","0.329","0.3461","","","","","","1.146","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502466","5.8404","0.0003","12.8879","0.0005","18.2216","0.0006","90","","90","","90","","1371.55","0.1","293","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C48 H84 N4 O12 S4 -","4","1","","Ruan, Shu-Tang; Luo, Jie-Min; Du, Yu; Huang, Pei-Qiang","Asymmetric vinylogous Mannich reactions: a versatile approach to functionalized heterocycles.","Organic letters","2011","13","18","4938","4941","10.1021/ol2020384","","","0.71073","MoKα","","0.0635","0.0433","","","0.0672","0.0711","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502467","9.864","0.0005","13.424","0.0009","18.0592","0.0009","81.355","0.005","89.502","0.004","79.46","0.005","2323.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C108 H88 N8 O20 -","4","2","","Fernández-García, Jesús Manuel; Fernández-Rodríguez, Manuel Á; Aguilar, Enrique","Catalytic intermolecular hetero-dehydro-Diels-Alder cycloadditions: regio- and diasteroselective synthesis of 5,6-dihydropyridin-2-ones.","Organic letters","2011","13","19","5172","5175","10.1021/ol202046y","","","0.71073","MoKα","","0.1262","0.0422","","","0.0871","0.1138","","","","","","0.774","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502468","7.6533","0.0007","9.2536","0.0007","12.3889","0.0006","88.167","0.005","78.383","0.006","70.917","0.007","811.64","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Biswas, Kallolmay; Greaney, Michael F.","Insertion of arynes into thioureas: a new amidine synthesis.","Organic letters","2011","13","18","4946","4949","10.1021/ol202049v","","","0.71073","MoKα","","0.0506","0.0384","","0.0804","0.0729","0.0804","","","","","","0.9508","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502469","8.2196","0.0002","10.2119","0.0003","20.8765","0.0005","95.474","0.002","91.073","0.002","98.682","0.002","1723.37","0.08","100","2","100","","","","","","","","Kallolmay Biswas","4","P -1","-P 1","2","","","","- C21 H20 N2 S -","- C21 H20 N2 S -","- C84 H80 N8 S4 -","4","2","","Biswas, Kallolmay; Greaney, Michael F.","Insertion of arynes into thioureas: a new amidine synthesis.","Organic letters","2011","13","18","4946","4949","10.1021/ol202049v","","","1.5418","CuKα","","0.0449","0.042","","","0.1104","0.1137","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502470","23.426","0.002","18.992","0.002","6.205","0.0004","90","","90","","90","","2760.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,Z)-1-(4-bromophenyl)-4,4-dimethyl-3-[(5-oxofuran- 2(5H)-ylidene)]pentyl (1R,2S,5R)-2-isopropyl-5-methyl cyclohexyl carbonate","","- C28 H37 Br O5 -","- C28 H37 Br O5 -","- C112 H148 Br4 O20 -","4","1","","Curti, Claudio; Battistini, Lucia; Sartori, Andrea; Lodola, Alessio; Mor, Marco; Rassu, Gloria; Pelosi, Giorgio; Zanardi, Franca; Casiraghi, Giovanni","Catalytic, asymmetric hypervinylogous Mukaiyama aldol reactions of extended furan-based silyl enolates.","Organic letters","2011","13","17","4738","4741","10.1021/ol2020626","","","1.5418","CuKα","","0.0677","0.0483","","","0.1395","0.1558","","","","","","0.953","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502471","6.025","0.003","8.067","0.003","14.859","0.006","90","","92.998","0.007","90","","721.2","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O -","- C18 H15 Cl O -","- C36 H30 Cl2 O2 -","2","1","","Wang, Yazhou; Feng, Xiangqing; Du, Haifeng","Kinetic resolution of hindered Morita-Baylis-Hillman adducts by Rh(I)-catalyzed asymmetric 1,4-addition/β-hydroxyelimination.","Organic letters","2011","13","18","4954","4957","10.1021/ol202069e","","","0.71073","MoKα","","0.0604","0.0553","","","0.1345","0.14","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502472","10.236","0.004","7.645","0.003","14.941","0.007","90","","104.633","0.008","90","","1131.3","0.8","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 O6 S2 -","- C27 H24 O6 S2 -","- C54 H48 O12 S4 -","2","1","","Gu, Qing; You, Shu-Li","Desymmetrization of cyclohexadienones via asymmetric Michael reaction catalyzed by cinchonine-derived urea.","Organic letters","2011","13","19","5192","5195","10.1021/ol202073p","","","0.71073","MoKα","","0.0919","0.054","","","0.086","0.0969","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502473","13.1485","0.0016","16.858","0.002","25.981","0.003","90","","90","","90","","5758.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N2 O2 S -","- C34 H34 N2 O2 S -","- C272 H272 N16 O16 S8 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.159","0.0697","","","0.1677","0.1999","","","","","","0.853","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502474","15.4711","0.0009","9.7718","0.0006","39.174","0.002","90","","90","","90","","5922.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Br2 N O4 -","- C31 H37 Br2 N O4 -","- C248 H296 Br16 N8 O32 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.0589","0.0388","","","0.084","0.0939","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502475","15.3311","0.0005","8.9614","0.0002","18.9054","0.0006","90","","103.569","0.004","90","","2524.88","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","","Chai, Guobi; Qiu, Youai; Fu, Chunling; Ma, Shengming","Efficient assembly of chromone skeleton from 2,3-allenoic acids and benzynes.","Organic letters","2011","13","19","5196","5199","10.1021/ol202076c","","","0.71073","MoKα","","0.0462","0.0372","","","0.0906","0.0961","","","","","","1.057","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502476","4.665","0.002","7.757","0.004","20.266","0.008","96.79","0.01","94","0.01","92","0.01","725.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-[(2,5-dimethoxy-1,4-phenylene)bis(methylene)]bis(3-bromo-5-hexylthiophene)","","- C30 H40 Br2 O2 S2 -","- C30 H40 Br2 O2 S2 -","- C30 H40 Br2 O2 S2 -","1","0.5","","Tylleman, Benoît; Vande Velde, Christophe M. L.; Balandier, Jean-Yves; Stas, Sara; Sergeyev, Sergey; Geerts, Yves Henri","Synthesis of isomerically pure anti-anthradithiophene derivatives.","Organic letters","2011","13","19","5208","5211","10.1021/ol202089t","","","0.71073","MoKα","","0.1122","0.0926","","","0.2385","0.2471","","","","","","1.295","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502477","6.5606","0.0012","7.3288","0.0013","13.452","0.002","83.044","0.003","87.215","0.003","77.447","0.003","626.52","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,8-dihexylanthra[2,3-b:6,7-b']dithiophene-5,11-dione","","- C30 H32 O2 S2 -","- C30 H32 O2 S2 -","- C30 H32 O2 S2 -","1","0.5","","Tylleman, Benoît; Vande Velde, Christophe M. L.; Balandier, Jean-Yves; Stas, Sara; Sergeyev, Sergey; Geerts, Yves Henri","Synthesis of isomerically pure anti-anthradithiophene derivatives.","Organic letters","2011","13","19","5208","5211","10.1021/ol202089t","","","0.71073","MoKα","","0.0699","0.051","","","0.1188","0.1322","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502478","9.821","0.004","7.317","0.003","10.846","0.004","90","","108.497","0.005","90","","739.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C36 H36 N4 O2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey; Cook, James M.","Regiospecific, enantiospecific total synthesis of C-19 methyl substituted sarpagine alkaloids dihydroperaksine-17-al and dihydroperaksine.","Organic letters","2011","13","19","5216","5219","10.1021/ol202101p","","","0.71073","MoKα","","0.0613","0.0566","","","0.144","0.1507","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502479","9.6259","0.0005","12.6135","0.0008","17.7779","0.0011","90","","90","","90","","2158.5","0.2","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C112 H88 O16 -","4","1","","Biswas, Anup; De Sarkar, Suman; Fröhlich, Roland; Studer, Armido","Highly stereoselective synthesis of 1,2,3-trisubstituted indanes via oxidative N-heterocyclic carbene-catalyzed cascades.","Organic letters","2011","13","18","4966","4969","10.1021/ol202108a","","","1.54178","CuKα","","0.0919","0.0551","","","0.1235","0.1527","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502480","7.4161","0.0011","13.563","0.002","29.24","0.004","90","","90","","90","","2941.1","0.7","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 N2 S -","- C18 H14 N2 S -","- C144 H112 N16 S8 -","8","2","","Huang, Guoli; Sun, Hongsheng; Qiu, Xiaojie; Jin, Can; Lin, Chen; Shen, Yingzhong; Jiang, Juli; Wang, Leyong","Ligand-free copper-catalyzed regioselective C-2 arylation of imidazo[2,1-b]thiazoles.","Organic letters","2011","13","19","5224","5227","10.1021/ol2021109","","","0.71073","MoKα","","0.0914","0.0606","","","0.1339","0.1417","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502481","7.1095","0.0001","13.99","0.0001","25.1839","0.0002","90","","90.451","0.001","90","","2504.76","0.04","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","Mattson 1804","","","- C32 H24 O3 Si -","- C32 H24 O3 Si -","- C128 H96 O12 Si4 -","4","1","","Schafer, Andrew G.; Wieting, Joshua M.; Mattson, Anita E.","Silanediols: a new class of hydrogen bond donor catalysts.","Organic letters","2011","13","19","5228","5231","10.1021/ol2021115","","x-ray","0.71073","MoKα","","0.0693","0.0429","","","0.1103","0.1234","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502482","13.1314","0.0009","5.8958","0.0004","15.9344","0.0011","90","","109.439","0.002","90","","1163.32","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 Br O5 -","- C26 H25 Br O5 -","- C52 H50 Br2 O10 -","2","1","","Liu, Chen; Dou, Xiaowei; Lu, Yixin","Organocatalytic asymmetric aldol reaction of hydroxyacetone with β,γ-unsaturated α-keto esters: facile access to chiral tertiary alcohols.","Organic letters","2011","13","19","5248","5251","10.1021/ol2021274","","","0.71073","MoKα","","0.0591","0.0521","","","0.1045","0.1082","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502483","7.8299","0.0014","8.1023","0.0014","21.225","0.004","90","","90","","90","","1346.5","0.4","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","","García-García, Patricia; Martínez, Alberto; Sanjuán, Ana M; Fernández-Rodríguez, Manuel A; Sanz, Roberto","Gold(I)-catalyzed tandem cyclization-selective migration reaction of 1,3-dien-5-ynes: regioselective synthesis of highly substituted benzenes.","Organic letters","2011","13","18","4970","4973","10.1021/ol202129n","","","0.71073","MoKα","","0.0678","0.0583","","","0.1425","0.1543","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502484","13.6531","0.0009","13.6881","0.0008","14.2989","0.001","82.661","0.005","66.722","0.006","62.953","0.006","2181.8","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H40 S -","- C60 H40 S -","- C120 H80 S2 -","2","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","0.71073","MoKα","","0.0626","0.0424","","","0.0904","0.098","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502485","11.179","0.005","12.528","0.005","17.631","0.005","83.243","0.005","85.577","0.005","80.954","0.005","2417.3","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H36 F4 S -","- C60 H36 F4 S -","- C120 H72 F8 S2 -","2","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","0.71069","MoKα","","0.1675","0.0712","","","0.1711","0.206","","","","","","0.847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502486","13.8181","0.0006","24.0094","0.0012","15.1905","0.0007","90","","96.848","0.004","90","","5003.7","0.4","290.65","","290.65","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H52 Cl2 S -","- C63 H52 Cl2 S -","- C252 H208 Cl8 S4 -","4","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","1.5418","CuKα","","0.095","0.0658","","","0.1748","0.1984","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502487","15.2541","0.0003","13.8703","0.0002","19.9768","0.0003","90","","111.199","0.002","90","","3940.65","0.12","291.15","","291.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 S -","- C52 H40 S -","- C208 H160 S4 -","4","1","","Huang, Huanan; Li, Jing; Lescop, Christophe; Duan, Zheng","Palladium-catalyzed regioselective C-S bond cleavage of thiophenes.","Organic letters","2011","13","19","5252","5255","10.1021/ol2021302","","","1.5418","CuKα","","0.0695","0.0527","","","0.1512","0.1656","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502488","6.271","0.002","11.677","0.004","14.082","0.004","91.928","0.005","101.251","0.005","99.162","0.005","996.2","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O8 S -","- C19 H22 N2 O8 S -","- C38 H44 N4 O16 S2 -","2","1","","Tuo, Shi-Chuan; Ye, Jian-Liang; Wang, Ai-E; Huang, Su-Yu; Huang, Pei-Qiang","Concise asymmetric total synthesis of 9-epi-sessilifoliamide J.","Organic letters","2011","13","19","5270","5273","10.1021/ol202140y","","","0.71073","MoKα","","0.0555","0.0439","","","0.127","0.1358","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502489","21.77","0.0007","12.9719","0.0004","14.4182","0.0005","90","","94.7022","0.0004","90","","4058","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H32 N4 O19 -","- C38 H32 N4 O19 -","- C152 H128 N16 O76 -","4","1","","Peng, Wenjie; Jayasuriya, Anushka B.; Imamura, Akihiro; Lowary, Todd L.","Synthesis of the 6-O-methyl-D-glycero-α-L-gluco-heptopyranose moiety present in the capsular polysaccharide from Campylobacter jejuni NCTC 11168.","Organic letters","2011","13","19","5290","5293","10.1021/ol202152r","","","0.71073","MoKα","","0.036","0.0343","","","0.0926","0.0943","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502490","10.7995","0.0006","13.1022","0.0007","17.6868","0.0008","90","","103.862","0.001","90","","2429.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl2 N2 O3 S -","- C27 H20 Cl2 N2 O3 S -","- C108 H80 Cl8 N8 O12 S4 -","4","1","","Namitharan, Kayambu; Pitchumani, Kasi","Copper(I)-catalyzed three component reaction of sulfonyl azide, alkyne, and nitrone cycloaddition/rearrangement cascades: a novel one-step synthesis of imidazolidin-4-ones.","Organic letters","2011","13","21","5728","5731","10.1021/ol202164x","","","0.71073","MoKα","","0.0608","0.0415","","","0.1176","0.1348","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502491","8.974","0.009","14.304","0.014","24.8","0.02","90","","90","","90","","3183","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 N2 O10 -","- C32 H34 N2 O10 -","- C128 H136 N8 O40 -","4","1","","Sun, Deqian; Zhao, Qiwu; Li, Chaozhong","Total synthesis of (+)-decursivine.","Organic letters","2011","13","19","5302","5305","10.1021/ol2021669","","","0.71073","MoKα","","0.0694","0.0495","","","0.1036","0.1118","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502492","12.793","0.016","13.184","0.016","21.65","0.03","90","","90","","90","","3652","8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N2 O9 S -","- C40 H40 N2 O9 S -","- C160 H160 N8 O36 S4 -","4","1","","Sun, Deqian; Zhao, Qiwu; Li, Chaozhong","Total synthesis of (+)-decursivine.","Organic letters","2011","13","19","5302","5305","10.1021/ol2021669","","","0.71073","MoKα","","0.2325","0.0664","","","0.0868","0.1368","","","","","","0.842","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502493","11.641","0.004","13.621","0.004","8.8","0.004","90","","99.28","0.02","90","","1377.1","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Wrigglesworth, Joe W.; Cox, Brian; Lloyd-Jones, Guy C; Booker-Milburn, Kevin I","New heteroannulation reactions of N-alkoxybenzamides by Pd(II) catalyzed C-H activation.","Organic letters","2011","13","19","5326","5329","10.1021/ol202187h","","","1.54178","CuKα","","0.1617","0.096","","","0.2025","0.2471","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502494","8.0942","0.001","34.437","0.004","9.1647","0.0011","90","","90.491","0.002","90","","2554.5","0.5","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 I -","- C15 H15 I -","- C120 H120 I8 -","8","2","","Liu, Hui; Chen, Chen; Wang, Limin; Tong, Xiaofeng","Pd(0)-catalyzed iodoalkynation of norbornene scaffolds: the remarkable solvent effect on reaction pathway.","Organic letters","2011","13","19","5072","5075","10.1021/ol2022388","","","0.71073","MoKα","","0.1035","0.0958","","","0.2388","0.2431","","","","","","1.241","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502495","8.521","0.0008","8.5892","0.0008","16.5795","0.0015","90","","104.826","0.001","90","","1173.03","0.19","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","1","","Nicolaou, K. C.; Sun, Ya-Ping; Sarlah, David; Zhan, Weiqiang; Wu, T. Robert","Bioinspired synthesis of hirsutellones A, B, and C.","Organic letters","2011","13","20","5708","5710","10.1021/ol202239u","","","0.71073","MoKα","","0.0683","0.0453","","","0.1034","0.1167","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502496","7.949","0.008","9.108","0.009","19.91","0.02","96.996","0.016","91.269","0.016","101.912","0.016","1398","2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H34 O6 -","- C33 H34 O6 -","- C66 H68 O12 -","2","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.1784","0.0619","","","0.0985","0.1247","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502497","13.7829","0.0011","12.6372","0.001","19.3995","0.0016","90","","91.496","0.001","90","","3377.8","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 O8 -","- C41 H42 O8 -","- C164 H168 O32 -","4","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.112","0.0648","","","0.1716","0.1994","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502498","11.743","0.003","5.2952","0.0012","25.14","0.006","90","","93.61","0.004","90","","1560.1","0.7","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C37 H40 O8 -","- C37 H40 O8 -","- C74 H80 O16 -","2","1","","Snyder, Scott A.; Brill, Zachary G.","Structural revision and total synthesis of caraphenol B and C.","Organic letters","2011","13","20","5524","5527","10.1021/ol2022406","","","0.71073","MoKα","","0.1256","0.056","","","0.086","0.1022","","","","","","0.823","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502499","6.7081","0.0013","11.086","0.002","11.437","0.002","71.59","0.03","75.66","0.03","81.7","0.03","779.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Qi, Chaorong; Jiang, Huanfeng; Huang, Liangbin; Yuan, Gaoqing; Ren, Yanwei","Carbon dioxide triggered and copper-catalyzed domino reaction: efficient construction of highly substituted 3(2H)-furanones from nitriles and propargylic alcohols.","Organic letters","2011","13","20","5520","5523","10.1021/ol202241r","","","0.71073","MoKα","","0.11","0.057","","","0.1631","0.2609","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502500","7.1319","0.0001","10.2706","0.0001","24.8328","0.0002","90","","90","","90","","1818.98","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O7 -","- C19 H21 N3 O7 -","- C76 H84 N12 O28 -","4","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","1.54178","CuKα","","0.0295","0.0282","","","0.0733","0.0747","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502501","24.47","0.003","24.47","0.003","7.359","0.001","90","","90","","90","","4406.4","1","298","2","298","2","","","","","","","","4","I 4","I 4","79","","","","- C19 H27.25 N2 O9.63 -","- C19 H27.26 N2 O9.625 -","- C152 H218.08 N16 O77 -","8","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","0.71073","MoKα","","0.1903","0.0985","","","0.2179","0.2495","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502502","7.2572","0.0009","10.3636","0.0012","25.073","0.003","90","","90","","90","","1885.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O7 -","- C19 H21 N3 O7 -","- C76 H84 N12 O28 -","4","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","0.71073","MoKα","","0.0641","0.038","","","0.0799","0.0938","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502503","10.1002","0.0002","13.2118","0.0003","16.2598","0.0003","90","","90","","90","","2169.74","0.08","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C108 H104 O16 -","4","1","","Lv, Hui; Mo, Junming; Fang, Xinqiang; Chi, Yonggui Robin","Formal Diels-Alder reactions of chalcones and formylcyclopropanes catalyzed by chiral N-heterocyclic carbenes.","Organic letters","2011","13","19","5366","5369","10.1021/ol202250s","","","0.71073","MoKα","","0.0425","0.0361","","","0.0982","0.1077","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502504","15.3997","0.0005","6.0444","0.0003","23.8606","0.001","90","","100.45","0.001","90","","2184.15","0.16","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H20 Br2 O3 -","- C26 H20 Br2 O3 -","- C104 H80 Br8 O12 -","4","2","","Lv, Hui; Mo, Junming; Fang, Xinqiang; Chi, Yonggui Robin","Formal Diels-Alder reactions of chalcones and formylcyclopropanes catalyzed by chiral N-heterocyclic carbenes.","Organic letters","2011","13","19","5366","5369","10.1021/ol202250s","","","0.71073","MoKα","","0.0426","0.0316","","","0.0604","0.0638","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502505","7.7053","0.0004","13.2135","0.0007","13.4615","0.0008","76.246","0.002","84.746","0.002","79.465","0.002","1307.17","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H26 Br2 N4 O3 -","- C28 H26 Br2 N4 O3 -","- C56 H52 Br4 N8 O6 -","2","2","","Wanner, Benedikt; Mahatthananchai, Jessada; Bode, Jeffrey W.","Enantioselective synthesis of dihydropyridinones via NHC-catalyzed aza-Claisen reaction.","Organic letters","2011","13","19","5378","5381","10.1021/ol202272t","","","0.71073","MoKα","","0.031","0.0255","","","0.0485","0.0498","","","","","","0.981","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502506","23.5483","0.0011","5.9268","0.0003","11.3734","0.0005","90","","104.05","0.003","90","","1539.85","0.13","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H20 Cl N O3 S -","- C14 H20 Cl N O3 S -","- C56 H80 Cl4 N4 O12 S4 -","4","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","0.71073","MoKα","","0.0406","0.0318","","","0.0686","0.0724","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502507","10.2144","0.0008","5.5884","0.0004","13.5096","0.0011","90","","98.294","0.004","90","","763.09","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C32 H44 N4 O8 -","2","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","1.54178","CuKα","","0.0323","0.032","","","0.0839","0.0844","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502508","10.3717","0.0002","16.0215","0.0003","24.5159","0.0004","90","","90","","90","","4073.81","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C176 H208 N16 O32 -","4","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","1.54178","CuKα","","0.027","0.0268","","","0.0678","0.068","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502509","12.7","0.003","8.476","0.0018","19.349","0.004","90","","94.229","0.003","90","","2077.2","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 S Si -","- C22 H25 N O2 S Si -","- C88 H100 N4 O8 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.056","0.0477","","","0.1326","0.1411","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502510","18.035","0.003","10.731","0.0015","11.3278","0.0015","90","","101.024","0.002","90","","2151.9","0.5","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F N O2 S Si -","- C22 H24 F N O2 S Si -","- C88 H96 F4 N4 O8 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.0683","0.0555","","","0.1524","0.1651","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502511","18.3078","0.0013","10.835","0.0008","11.5876","0.0008","90","","103.219","0.001","90","","2237.7","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O3 S Si -","- C23 H27 N O3 S Si -","- C92 H108 N4 O12 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.0558","0.0474","","","0.1321","0.1403","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502512","15.3585","0.001","15.4826","0.001","9.8612","0.0007","90","","97.621","0.001","90","","2324.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O2 S Si -","- C26 H27 N O2 S Si -","- C104 H108 N4 O8 S4 Si4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Dehydrogenative Diels-Alder reaction.","Organic letters","2011","13","19","5390","5393","10.1021/ol202283d","","","0.71073","MoKα","","0.0746","0.0554","","","0.1427","0.1563","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502513","7.468","0.003","19.561","0.008","11.277","0.004","90","","90","","90","","1647.4","1.1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Ren, Zhi-Hui; Zhang, Zhi-Yuan; Yang, Bing-Qin; Wang, Yao-Yu; Guan, Zheng-Hui","Copper-catalyzed coupling of oxime acetates with aldehydes: a new strategy for synthesis of pyridines.","Organic letters","2011","13","19","5394","5397","10.1021/ol202290y","","","0.71073","MoKα","","0.1543","0.0553","","","0.1201","0.1658","","","","","","0.89","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502514","10.1786","0.0002","10.4497","0.0002","19.1308","0.0004","90","","90","","90","","2034.82","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br N2 O2 -","- C22 H23 Br N2 O2 -","- C88 H92 Br4 N8 O8 -","4","1","","Lee, Yunmi; Klausen, Rebekka S.; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective iso-Pictet-Spengler reactions.","Organic letters","2011","13","20","5564","5567","10.1021/ol202300t","","","0.71073","MoKα","","0.0245","0.0222","","","0.0569","0.0579","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502515","10.5196","0.0003","11.1008","0.0003","16.8401","0.0004","90","","90","","90","","1966.52","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Lee, Yunmi; Klausen, Rebekka S.; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective iso-Pictet-Spengler reactions.","Organic letters","2011","13","20","5564","5567","10.1021/ol202300t","","","1.54178","CuKα","","0.093","0.0834","","","0.1637","0.1698","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502516","6.0456","0.0006","9.8728","0.001","23.236","0.002","90","","93.94","0.001","90","","1383.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H29 Br O5 -","- C31 H29 Br O5 -","- C62 H58 Br2 O10 -","2","1","","Ashtekar, Kumar Dilip; Staples, Richard J.; Borhan, Babak","Development of a formal catalytic asymmetric [4+2] addition of ethyl-2,3-butadienoate with acyclic enones.","Organic letters","2011","13","21","5732","5735","10.1021/ol202301f","","x-ray","0.71073","MoKα","","0.0876","0.0514","","","0.0962","0.1096","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502517","6.004","0.004","11.472","0.007","14.442","0.009","106.29","0.009","96.565","0.009","97.311","0.009","935.2","1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C42 H48 O10 -","2","1","","Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis","Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.","Organic letters","2011","13","20","5580","5583","10.1021/ol202314q","","","0.71073","MoKα","","0.0854","0.0773","","","0.2189","0.23","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502518","12.355","0.018","13.259","0.019","12.748","0.019","90","","110.52","0.03","90","","1956","5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C88 H104 O20 -","4","1","","Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis","Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.","Organic letters","2011","13","20","5580","5583","10.1021/ol202314q","","","0.71073","MoKα","","0.0993","0.053","","","0.1328","0.1692","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502519","12.5736","0.0007","15.875","0.0008","16.524","0.0008","90","","94.695","0.002","90","","3287.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 Au Cl P -","- C33 H53 Au Cl P -","- C132 H212 Au4 Cl4 P4 -","4","1","","Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis","Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.","Organic letters","2011","13","20","5580","5583","10.1021/ol202314q","","","0.71073","MoKα","","0.0345","0.0269","","","0.072","0.0785","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502520","8.0667","0.0002","8.2677","0.0002","14.2711","0.0003","90","","101.049","0.001","90","","934.14","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C36 H56 O16 -","4","2","","Magauer, Thomas; Myers, Andrew G.","Short and efficient synthetic route to methyl α-trioxacarcinoside B and anomerically activated derivatives.","Organic letters","2011","13","20","5584","5587","10.1021/ol202315m","","","1.54178","CuKα","","0.0251","0.0249","","","0.0638","0.064","","","","","","1.086","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1502521","19.502","0.009","19.502","0.009","13.648","0.013","90","","90","","120","","4495","5","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C189 H216 N18 O36 -","9","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.1515","0.0634","","","0.1149","0.1407","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502522","10.73","0.006","9.321","0.006","12.255","0.007","90","","100.86","0.005","90","","1203.7","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 Br N O4 -","- C26 H26 Br N O4 -","- C52 H52 Br2 N2 O8 -","2","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.1022","0.0506","","","0.1067","0.1273","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502523","11.447","0.003","6.649","0.002","14.217","0.004","90","","110.166","0.003","90","","1015.7","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C50 H52 O4 -","2","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.0688","0.0443","","","0.0923","0.1059","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502524","10.00787","0.00016","26.3372","0.0005","10.8051","0.0002","90","","99.8553","0.0016","90","","2805.97","0.09","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","Anderson, Katie; Calo, Frederick; Pfaffeneder, Toni; White, Andrew J. P.; Barrett, Anthony G. M.","Biomimetic total synthesis of angelicoin A and B via a palladium-catalyzed decarboxylative prenylation-aromatization sequence.","Organic letters","2011","13","21","5748","5750","10.1021/ol202320m","","","1.54184","CuKα","","0.0391","0.0356","","","0.0958","0.0993","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502525","7.72443","0.00017","8.2531","0.0003","19.2848","0.0007","90","","96.121","0.003","90","","1222.41","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","2","","Anderson, Katie; Calo, Frederick; Pfaffeneder, Toni; White, Andrew J. P.; Barrett, Anthony G. M.","Biomimetic total synthesis of angelicoin A and B via a palladium-catalyzed decarboxylative prenylation-aromatization sequence.","Organic letters","2011","13","21","5748","5750","10.1021/ol202320m","","","1.54184","CuKα","","0.1073","0.0531","","","0.0933","0.1089","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502526","7.8787","0.0015","11.789","0.002","26.185","0.005","90","","90","","90","","2432.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N O5 -","- C25 H26 Br N O5 -","- C100 H104 Br4 N4 O20 -","4","1","","Teng, Huai-Long; Luo, Fei-Long; Tao, Hai-Yan; Wang, Chun-Jiang","A facile Cu(I)/BINAP-catalyzed asymmetric approach to functionalized pyroglutamate derivatives bearing a unique quaternary stereogenic center.","Organic letters","2011","13","20","5600","5603","10.1021/ol202326j","","","0.71073","MoKα","","0.1036","0.042","","","0.0908","0.1116","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502527","5.296","0.002","12.43","0.005","20.001","0.008","90","","90","","90","","1316.7","0.9","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-5-chloro-1-methyl-3-hydroxy-3-(1-methyl-1H-pyrrol-2-yl)-indolin-2-one","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C56 H52 Cl4 N8 O8 -","4","1","","Gutierrez, Elisa G.; Wong, Casey J.; Sahin, Aziza H.; Franz, Annaliese K.","Enantioselective and regioselective indium(III)-catalyzed addition of pyrroles to isatins.","Organic letters","2011","13","21","5754","5757","10.1021/ol202329s","","","0.71073","MoKα","","0.0698","0.0505","","","0.1171","0.1356","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502528","9.6671","0.0002","10.0197","0.0002","16.6629","0.0004","90","","90","","90","","1613.99","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Lee, Gene-Hsiang","Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts.","Organic letters","2011","13","21","5758","5761","10.1021/ol202331j","","","0.71073","MoKα","","0.0597","0.0356","","","0.0838","0.0919","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502529","12.3284","0.0009","5.9912","0.0004","12.3764","0.0009","90","","111.414","0.0014","90","","851.04","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 Br N O5 -","- C19 H14 Br N O5 -","- C38 H28 Br2 N2 O10 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Lee, Gene-Hsiang","Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts.","Organic letters","2011","13","21","5758","5761","10.1021/ol202331j","","","0.71073","MoKα","","0.0416","0.0363","","","0.0749","0.0774","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502530","11.4074","0.001","25.629","0.003","16.6602","0.0013","90","","106.959","0.007","90","","4659","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 B F2 N3 O2 -","- C29 H22.5 B F2 N3 O2 -","- C232 H180 B8 F16 N24 O16 -","8","2","","Chen, Yuting; Wan, Liang; Yu, Xiang; Li, Wenjun; Bian, Yongzhong; Jiang, Jianzhuang","Rational Design and Synthesis for Versatile FRET Ratiometric Sensor for Hg2+ and Fe2+: A Flexible 8-Hydroxyquinoline Benzoate Linked Bodipy-Porphyrin Dyad","Organic letters","2011","13","21","5774","5777","10.1021/ol202338c","","","0.71073","MoKα","","0.2278","0.0897","","","0.0972","0.1225","","","","","","0.978","","","","has coordinates","210341","2020-10-21","18:00:00",""
"1502531","9.1654","0.0014","24.62","0.002","39.168","0.003","90","","93.635","0.006","90","","8820.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H86 Cl18 N8 O4 S -","- C84 H84 Cl12 N8 O4 S -","- C336 H336 Cl48 N32 O16 S4 -","4","1","","Roznyatovskiy, Vladimir V.; Lim, Jong Min; Lynch, Vincent M.; Lee, Byung Sun; Kim, Dongho; Sessler, Jonathan L.","π-Extension in expanded porphyrins: cyclo[4]naphthobipyrrole.","Organic letters","2011","13","20","5620","5623","10.1021/ol2023449","","","0.71075","MoKα","","0.1106","0.0916","","","0.2427","0.2522","","","","","","1.588","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502532","10.3739","0.001","15.4972","0.0014","11.9293","0.0011","90","","102.157","0.002","90","","1874.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","","Yu, Fangmiao; Cheng, Bin; Zhai, Hongbin","Fast and protecting-group-free synthesis of (±)-subincanadine C.","Organic letters","2011","13","21","5782","5783","10.1021/ol202349g","","","0.71073","MoKα","","0.1418","0.0469","","","0.0768","0.0992","","","","","","0.846","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502533","8.631","0.0011","12.0157","0.0014","22.767","0.003","90","","90","","90","","2361.1","0.5","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br N2 -","- C29 H25 Br N2 -","- C116 H100 Br4 N8 -","4","1","","Cheng, Dao-Juan; Wu, Hai-Bian; Tian, Shi-Kai","Catalytic asymmetric Pictet-Spengler-type reaction for the synthesis of optically active indolo[3,4-cd][1]benzazepines.","Organic letters","2011","13","20","5636","5639","10.1021/ol202361t","","","0.71073","MoKα","","0.0578","0.0444","","","0.1074","0.1152","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502534","10.901","0.005","9.946","0.005","26.646","0.01","90","","100.45","0.01","90","","2841","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(1-ethoxy-2-(4-nitrophenylsulfonamido) -2-phenylethyl)-N-phenylbenzenesulfonamide","","- C28 H27 N3 O7 S2 -","- C28 H27 N3 O7 S2 -","- C112 H108 N12 O28 S8 -","4","1","","Nakanishi, Masafumi; Minard, Corinne; Retailleau, Pascal; Cariou, Kevin; Dodd, Robert H.","Copper(I) catalyzed regioselective asymmetric alkoxyamination of aryl enamide derivatives.","Organic letters","2011","13","21","5792","5795","10.1021/ol202367d","","","0.71069","MoKα","","0.0806","0.0484","","","0.1142","0.1293","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502535","17.577","0.005","7.597","0.005","13.745","0.005","90","0.005","90","0.005","90","0.005","1835.4","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71073","MoKα","","0.0576","0.0491","","","0.112","0.1183","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502536","8.119","0.005","8.143","0.005","12.748","0.005","78.88","0.005","78.684","0.005","84.081","0.005","809","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N2 O2 S -","- C18 H19 N2 O2 S -","- C36 H38 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71069","MoKα","","0.1537","0.092","","","0.212","0.2696","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502537","9.01","0.005","12.674","0.005","15.667","0.005","90","0.005","90","0.005","90","0.005","1789.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N2 O2 S -","- C20 H23 N2 O2 S -","- C80 H92 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71069","MoKα","","0.1186","0.0871","","","0.2279","0.298","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502538","5.7256","0.0018","16.786","0.005","17.572","0.006","90","","90","","90","","1688.8","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br O -","- C21 H17 Br O -","- C84 H68 Br4 O4 -","4","1","","Turner, Heather M.; Patel, Jignesh; Niljianskul, Nootaree; Chong, J. Michael","Binaphthol-catalyzed asymmetric conjugate arylboration of enones.","Organic letters","2011","13","21","5796","5799","10.1021/ol202391r","","","0.71073","MoKα","","0.0428","0.0328","","","0.0758","0.0803","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502539","25.6392","0.0003","14.1998","0.0002","34.5075","0.0005","90","","98.0857","0.0007","90","","12438.3","0.3","200","","200","","","","","","","","local","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 N2 O7 S Si -","- C29 H36 N2 O7 S Si -","- C464 H576 N32 O112 S16 Si16 -","16","2","","Petit, Laurent; Banwell, Martin G.; Willis, Anthony C.","The total synthesis of the crinine alkaloid hamayne via a Pd[0]-catalyzed intramolecular alder-ene reaction.","Organic letters","2011","13","21","5800","5803","10.1021/ol2023938","","","0.71073","MoKα","","0.0966","0.0586","","0.1638","0.1305","0.1638","","","","","","0.9688","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502540","9.6554","0.0009","18.4922","0.0017","14.7179","0.0014","90","","103.367","0.002","90","","2556.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 F3 N O4 P S -","- C28 H25 F3 N O4 P S -","- C112 H100 F12 N4 O16 P4 S4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Raja, Rosalia; Orenes, Raul-Angel","Insertion of benzynes into the P═N Bond of P-alkenyl(alkynyl)-λ5-phosphazenes.","Organic letters","2011","13","20","5668","5671","10.1021/ol202395s","","","0.71073","MoKα","","0.0479","0.0406","","","0.1005","0.105","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502541","13.3873","0.0013","12.8784","0.0012","15.8361","0.0015","90","","102.499","0.002","90","","2665.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 F3 N O4 P S -","- C29 H27 F3 N O4 P S -","- C116 H108 F12 N4 O16 P4 S4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Raja, Rosalia; Orenes, Raul-Angel","Insertion of benzynes into the P═N Bond of P-alkenyl(alkynyl)-λ5-phosphazenes.","Organic letters","2011","13","20","5668","5671","10.1021/ol202395s","","","0.71073","MoKα","","0.0655","0.0627","","","0.1291","0.1305","","","","","","1.269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502542","10.6951","0.0008","13.5333","0.0011","23.7192","0.0017","90","","96.348","0.002","90","","3412.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cl3 F3 N2 O5 P S -","- C35 H27 Cl3 F3 N2 O5 P S -","- C140 H108 Cl12 F12 N8 O20 P4 S4 -","4","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Raja, Rosalia; Orenes, Raul-Angel","Insertion of benzynes into the P═N Bond of P-alkenyl(alkynyl)-λ5-phosphazenes.","Organic letters","2011","13","20","5668","5671","10.1021/ol202395s","","","0.71073","MoKα","","0.0471","0.0435","","","0.1205","0.1234","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502543","14.678","0.005","7.811","0.002","15.078","0.005","90","","96.149","0.006","90","","1718.7","0.9","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br N4 O4 S -","- C13 H19 Br N4 O4 S -","- C52 H76 Br4 N16 O16 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.1358","0.1169","","","0.2633","0.27","","","","","","1.24","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502544","7.6282","0.0006","22.4368","0.0019","10.6878","0.0009","90","","104.129","0.002","90","","1773.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O4 S -","- C16 H22 N4 O4 S -","- C64 H88 N16 O16 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.05","0.0472","","","0.1307","0.133","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502545","8.0247","0.0005","9.3837","0.0006","21.6308","0.0013","90","","90","","90","","1628.83","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O2 S -","- C15 H23 N3 O2 S -","- C60 H92 N12 O8 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.0352","0.0339","","","0.0879","0.0889","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502546","6.6805","0.0012","21.133","0.004","15.804","0.003","90","","92.518","0.004","90","","2229","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F2 N4 O4 S -","- C23 H20 F2 N4 O4 S -","- C92 H80 F8 N16 O16 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.0573","0.0487","","","0.126","0.1317","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502547","7.9534","0.0005","9.0801","0.0006","12.9399","0.0008","101.558","0.001","105.069","0.001","95.001","0.001","874.43","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N4 O4 S -","- C18 H18 N4 O4 S -","- C36 H36 N8 O8 S2 -","2","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.04","0.0373","","","0.1","0.1018","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502548","14.087","0.003","24.772","0.005","26.889","0.005","98.87","0.03","96.79","0.03","92.84","0.03","9184","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H84 F30 N4 O20 P5 -","- C108 H84 F29.3333 N4 O20 P5 -","- C324 H252 F88 N12 O60 P15 -","3","1.5","","Guo, Jia-Bin; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Formation of 1:2 host-guest complexes based on triptycene-derived macrotricycle and paraquat derivatives: anion-π interactions between PF6(-) and bipyridinium rings in the solid state.","Organic letters","2011","13","20","5688","5691","10.1021/ol2024168","","","0.71073","MoKα","","0.2659","0.2277","","","0.5147","0.5319","","","","","","2.602","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1502549","13.254","0.003","14.157","0.003","17.402","0.004","75.74","0.03","89.09","0.03","68.84","0.03","2941.6","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H142 F24 N6 O24 P4 -","- C112 H142 F24 N6 O24 P4 -","- C112 H142 F24 N6 O24 P4 -","1","0.5","","Guo, Jia-Bin; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Formation of 1:2 host-guest complexes based on triptycene-derived macrotricycle and paraquat derivatives: anion-π interactions between PF6(-) and bipyridinium rings in the solid state.","Organic letters","2011","13","20","5688","5691","10.1021/ol2024168","","","0.71073","MoKα","","0.0946","0.0773","","","0.1974","0.2112","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502550","10.3649","0.0016","13.029","0.002","8.3029","0.001","90","","109.022","0.005","90","","1060","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F3 O3 -","- C11 H11 F3 O3 -","- C44 H44 F12 O12 -","4","1","","Morandi, Bill; Carreira, Erick M.","Expedient preparation of trifluoromethyl-substituted benzofuranols.","Organic letters","2011","13","22","5984","5985","10.1021/ol202423s","","","0.71073","MoKα","","0.0533","0.0376","","","0.113","0.1345","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502551","17.41","0.0006","62.6791","0.0016","9.6861","0.0002","90","","90","","90","","10569.9","0.5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H29 N O6 -","- C30 H29 N O6 -","- C480 H464 N16 O96 -","16","1","","Sathishkannan, Gopal; Srinivasan, Kannupal","Highly diastereoselective synthesis of 1-pyrrolines via SnCl4-promoted [3 + 2] cycloaddition between activated donor-acceptor cyclopropanes and nitriles.","Organic letters","2011","13","22","6002","6005","10.1021/ol2024423","","","0.71073","MoKα","","0.0333","0.0288","","","0.0673","0.0731","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502552","12.705","0.01","9.521","0.006","19.28","0.004","90","","94.137","0.004","90","","2326","2","213.1","","213.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N2 O4 -","- C24 H34 N2 O4 -","- C96 H136 N8 O16 -","4","1","","Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison","One-pot synthesis of asymmetric annulated bis(pyrrole)s.","Organic letters","2011","13","21","5846","5849","10.1021/ol202457n","","","0.7107","MoKα","","","0.0596","","","","0.0674","","","","","","1.127","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502553","8.4312","0.0002","8.9716","0.0002","28.7625","0.001","90","","90","","90","","2175.63","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","- C88 H96 O16 S8 -","4","1","","Hong, Wan Pyo; Noshi, Mohammad N.; El-Awa, Ahmad; Fuchs, Philip L.","Synthesis of the C1-C20 and C15-C27 segments of aplyronine A.","Organic letters","2011","13","24","6342","6345","10.1021/ol2024746","","","0.71073","MO-Kα","","0.069","0.048","","","0.104","0.114","","","","","","1.054","","","","has coordinates","288193","2023-12-08","17:12:22",""
"1502554","9.1517","0.0016","11.6955","0.0016","14.998","0.003","78.566","0.009","86.834","0.009","68.817","0.007","1466.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N4 O3 S -","- C36 H34 N4 O3 S -","- C72 H68 N8 O6 S2 -","2","1","","Feng, Pengju; Fan, Yukai; Xue, Fazhen; Liu, Weigang; Li, Songlei; Shi, Yian","An approach to the hexacyclic skeleton of trigonoliimines.","Organic letters","2011","13","21","5827","5829","10.1021/ol202475r","","","0.71073","MoKα","","0.0761","0.0665","","","0.1535","0.16","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502555","11.46","0.002","13.277","0.002","12.839","0.002","90","","94.73","0.03","90","","1946.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl2 N4 -","- C22 H20 Cl2 N4 -","- C88 H80 Cl8 N16 -","4","1","","Feng, Pengju; Fan, Yukai; Xue, Fazhen; Liu, Weigang; Li, Songlei; Shi, Yian","An approach to the hexacyclic skeleton of trigonoliimines.","Organic letters","2011","13","21","5827","5829","10.1021/ol202475r","","","0.71073","MoKα","","0.0711","0.0651","","","0.1598","0.1645","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502556","9.2014","0.0006","10.1359","0.0007","10.2245","0.0007","64.747","0.001","83.99","0.001","68.197","0.001","799.12","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0381","0.0341","","","0.0894","0.094","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502557","12.5784","0.0013","13.3052","0.0014","10.4263","0.0011","90","","114.434","0.001","90","","1588.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0451","0.0374","","","0.0999","0.1042","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502558","6.434","0.0007","14.8481","0.0016","16.841","0.002","80.523","0.009","86.191","0.009","86.07","0.009","1580.7","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","2","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","1.54178","CuKα","","0.1159","0.0662","","","0.1539","0.1782","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502559","9.9476","0.001","12.6198","0.0012","14.2649","0.0014","90","","107.977","0.002","90","","1703.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0998","0.0513","","","0.0841","0.0984","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502560","5.9436","0.0002","8.0046","0.0003","18.5428","0.0007","101.216","0.001","93.223","0.001","100.92","0.001","845.7","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","0.71073","MoKα","","0.0416","0.0353","","","0.0924","0.0977","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502561","10.1514","0.0005","18.0417","0.0011","18.4086","0.001","90","","90","","90","","3371.5","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","1.54178","CuKα","","0.0397","0.0313","","","0.0783","0.0831","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502562","16.347","0.006","18.415","0.007","14.637","0.005","90","","105.02","0.005","90","","4256","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O3 -","- C29 H18 O3 -","- C232 H144 O24 -","8","2","","Luo, Yong; Wu, Jie","A new insight into palladium-catalyzed reaction of 2-alkynylphenol with carbon monoxide.","Organic letters","2011","13","21","5858","5861","10.1021/ol202478u","","","0.71073","MoKα","","0.093","0.0449","","","0.0981","0.1152","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502563","8.9778","0.0006","14.529","0.0011","12.2226","0.0009","90","","100.458","0.003","90","","1567.8","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H27 Cl4 N2 O4 P Pd -","- C29 H27 Cl4 N2 O4 P Pd -","- C58 H54 Cl8 N4 O8 P2 Pd2 -","2","1","","Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.","Organic letters","2011","13","21","5862","5865","10.1021/ol202480r","","","0.71073","MoKα","","0.03","0.0264","","","0.0625","0.0751","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502564","39.8657","0.0012","39.8657","0.0012","38.2114","0.0013","90","","90","","90","","60728","3","103","2","103","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C108 H104 Cl2 N2 O2 P2 Pd2 -","- C84 H80 Cl2 N2 O2 P2 Pd2 -","- C2016 H1920 Cl48 N48 O48 P48 Pd48 -","24","1.5","","Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.","Organic letters","2011","13","21","5862","5865","10.1021/ol202480r","","","0.71073","MoKα","","0.0891","0.0665","","","0.1648","0.1752","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502565","8.185","0.002","9.222","0.002","10.247","0.002","69.237","0.008","80.106","0.008","84.347","0.009","711.9","0.3","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H30 Cl N O6 S -","- C30 H30 Cl N O6 S -","- C30 H30 Cl N O6 S -","1","1","","Zhou, Si-Li; Li, Jun-Long; Dong, Lin; Chen, Ying-Chun","Organocatalytic sequential hetero-Diels-Alder and Friedel-Crafts reaction: constructions of fused heterocycles with scaffold diversity.","Organic letters","2011","13","21","5874","5877","10.1021/ol202492x","","","0.71073","MoKα","","0.0464","0.04","","","0.0814","0.0837","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502566","5.3199","0.0003","10.5254","0.0006","12.2657","0.0009","71.587","0.006","82.118","0.005","75.89","0.005","630.63","0.07","140","1","140","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C32 H36 O4 -","1","0.5","","Cammidge, Andrew N.; Goddard, Victoria H. M.; Schubert, Christopher P. J.; Gopee, Hemant; Hughes, David L.; Gonzalez-Lucas, Daniel","Unexpected phenol production from arylboronic acids under palladium-free conditions; organocatalyzed air oxidation.","Organic letters","2011","13","22","6034","6037","10.1021/ol202500z","","","0.71073","Mo-Kα","","0.0704","0.0414","","","0.1063","0.1138","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502567","12.6694","0.0003","17.4024","0.0003","19.0265","0.0004","90","","109.603","0.001","90","","3951.78","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","doMM","","","- C72 H20 O2 Si -","- C72 H20 O2 Si -","- C288 H80 O8 Si4 -","4","1","","Zhang, Ying; Matsuo, Yutaka; Nakamura, Eiichi","Regiocontrolled synthesis of 1,2-di(organo)fullerenes via copper-assisted 1,4-aryl migration from silicon to carbon.","Organic letters","2011","13","22","6058","6061","10.1021/ol202511u","","","1.54187","CuKα","","0.1325","0.1064","","","0.2837","0.3095","","","","","","1.688","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502568","6.2191","0.001","10.17","0.0016","15.271","0.002","106.094","0.002","96.229","0.003","99.146","0.003","904.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 N O S2 Si -","- C16 H23 N O S2 Si -","- C32 H46 N2 O2 S4 Si2 -","2","1","","Eberhart, Andrew J.; Imbriglio, Jason E.; Procter, David J.","Nucleophilic ortho allylation of aryl and heteroaryl sulfoxides.","Organic letters","2011","13","21","5882","5885","10.1021/ol2025197","","","0.71073","MoKα","","0.0817","0.073","","","0.1344","0.1372","","","","","","1.406","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502569","14.0044","0.0003","8.34399","0.00015","18.0791","0.0004","90","","102.479","0.0007","90","","2062.68","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18.667 N2 O7.333 -","- C12 H18.6667 N2 O7.33333 -","- C72 H112 N12 O44 -","6","3","","Mori, Kazuto; Kodama, Tetsuya; Obika, Satoshi","Design, Synthesis, and Properties of Boat-Shaped Glucopyranosyl Nucleic Acid","Organic Letters","2011","13","22","6050","6053","10.1021/ol2025229","","","1.54187","CuKα","","","0.0476","","","","0.0723","","","","","","1.004","","","","has coordinates","210342","2020-10-21","18:00:00",""
"1502570","8.8276","0.0018","11.186","0.002","12.244","0.002","90","","107.07","0.03","90","","1155.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Br N O2 S -","- C22 H36 Br N O2 S -","- C44 H72 Br2 N2 O4 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0387","0.0359","","","0.0769","0.0785","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502571","9.439","0.002","11.246","0.003","13.111","0.003","90","","109.97","0.03","90","","1308.1","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Br N O2 S -","- C26 H42 Br N O2 S -","- C52 H84 Br2 N2 O4 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0378","0.035","","","0.0725","0.0743","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502572","6.9024","0.0014","7.5807","0.0015","18.512","0.004","90","","91.49","0.03","90","","968.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H25 Br N2 O4 S -","- C17 H25 Br N2 O4 S -","- C34 H50 Br2 N4 O8 S2 -","2","1","","Huang, Deshun; Wang, Haining; Xue, Fazhen; Guan, Huan; Li, Lijun; Peng, Xianyou; Shi, Yian","Enantioselective bromocyclization of olefins catalyzed by chiral phosphoric acid.","Organic letters","2011","13","24","6350","6353","10.1021/ol202527g","","","0.71073","MoKα","","0.0423","0.0401","","","0.0851","0.087","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502573","14.467","0.006","17.927","0.007","11.676","0.004","90","","91.572","0.008","90","","3027","2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29.25 H42 N4 O6.25 -","- C29.25 H42 N4 O6.25 -","- C117 H168 N16 O25 -","4","1","","Feldman, Ken S.; Ngernmeesri, Paiboon","Total synthesis of (±)-dragmacidin E.","Organic letters","2011","13","20","5704","5707","10.1021/ol202535f","","","0.71073","MoKα","","0.1313","0.0733","","","0.1772","0.207","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502574","15.2751","0.0004","11.0342","0.0006","14.3941","0.0009","90","","117.12","0.003","90","","2159.4","0.2","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 S3 -","- C24 H30 S3 -","- C96 H120 S12 -","4","0.5","","Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus","Making benzotrithiophene a stronger electron donor.","Organic letters","2011","13","22","6062","6065","10.1021/ol2025372","","","0.71073","MoKα","","0.0929","0.0771","","0.0887","0.0859","0.0859","","","","","","1.0233","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502575","15.639","0.0003","10.844","0.0003","19.8682","0.0005","90","","104.266","0.0015","90","","3265.54","0.14","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 S3 -","- C36 H54 S3 -","- C144 H216 S12 -","4","0.5","","Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus","Making benzotrithiophene a stronger electron donor.","Organic letters","2011","13","22","6062","6065","10.1021/ol2025372","","","0.71073","MoKα","","0.0597","0.047","","0.0514","0.0506","0.0506","","","","","","1.0934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502576","12.722","0.003","4.8282","0.0011","19.81","0.005","90","","96.755","0.005","90","","1208.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O2 -","- C12 H14 Br N O2 -","- C48 H56 Br4 N4 O8 -","4","2","","Chen, Guo-Ying; Zhong, Fangrui; Lu, Yixin","Highly enantioselective and regioselective substitution of Morita-Baylis-Hillman carbonates with nitroalkanes.","Organic letters","2011","13","22","6070","6073","10.1021/ol202555v","","","0.71073","MoKα","","0.0569","0.0443","","","0.1054","0.1118","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502577","7.0739","0.0009","13.657","0.0016","14.9355","0.0018","90","","90","","90","","1442.9","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Mondal, Sujit; Yadav, Ram Naresh; Ghosh, Subrata","Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B.","Organic letters","2011","13","22","6078","6081","10.1021/ol202562w","","","0.71073","MoKα","","0.0336","0.0316","","","0.0738","0.0754","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502578","8.672","0.003","9.491","0.003","9.253","0.003","90","","112.782","0.006","90","","702.2","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Mondal, Sujit; Yadav, Ram Naresh; Ghosh, Subrata","Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B.","Organic letters","2011","13","22","6078","6081","10.1021/ol202562w","","","0.71073","MoKα","","0.0352","0.0316","","","0.0779","0.0803","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502579","9.6714","0.0016","18.83","0.002","15.545","0.003","90","","107.467","0.004","90","","2700.4","0.7","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 B N2 O6 -","- C27 H33 B N2 O6 -","- C108 H132 B4 N8 O24 -","4","1","","Hernández-Toribio, Jorge; Hussain, Mahmud M.; Cheng, Kevin; Carroll, Patrick J.; Walsh, Patrick J.","Diastereoselective aziridination of 2-B(pin)-substituted allylic alcohols: an efficient approach to novel organoboron compounds.","Organic letters","2011","13","22","6094","6097","10.1021/ol202588g","","","0.71073","MoKα","","0.0675","0.0555","","","0.144","0.1552","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502580","10.5944","0.0007","13.0865","0.0003","16.832","0.0007","67.483","0.009","78.456","0.011","69.451","0.009","2012.7","0.2","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","2","","Hernández-Toribio, Jorge; Hussain, Mahmud M.; Cheng, Kevin; Carroll, Patrick J.; Walsh, Patrick J.","Diastereoselective aziridination of 2-B(pin)-substituted allylic alcohols: an efficient approach to novel organoboron compounds.","Organic letters","2011","13","22","6094","6097","10.1021/ol202588g","","","0.71073","MoKα","","0.0733","0.054","","","0.1295","0.1449","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502581","19.0367","0.0006","4.9902","0.0002","19.2908","0.0007","90","","108.317","0.002","90","","1739.71","0.11","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Lee, Byeongno; Lee, Kyu Hyung; Cho, Jaeheung; Nam, Wonwoo; Hur, Nam Hwi","Synthesis of azines in solid state: reactivity of solid hydrazine with aldehydes and ketones.","Organic letters","2011","13","24","6386","6389","10.1021/ol202593g","","","0.71073","MoKα","","0.0484","0.0387","","","0.0971","0.1075","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502582","12.6449","0.0006","17.7036","0.0009","23.2599","0.0012","90","","90","","90","","5207","0.5","111","2","111","2","","","","","","","","3","P 21 c a","P -2ac 2a","29","","","","- C26 H44 Si2 -","- C26 H44 Si2 -","- C208 H352 Si16 -","8","2","","Kinoshita, Hidenori; Ishikawa, Tomoyuki; Miura, Katsukiyo","Dialkylaluminum hydride-promoted cyclodimerization of silylated 1,3-enynes via skeletal rearrangement.","Organic letters","2011","13","23","6192","6195","10.1021/ol202601s","","","0.71073","MoKα","","0.0489","0.0411","","","0.1253","0.1379","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502583","10.2162","0.0004","11.3789","0.0004","12.256","0.0004","103.179","0.001","90.521","0.001","94.858","0.001","1381.65","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N O7 S -","- C30 H31 N O7 S -","- C60 H62 N2 O14 S2 -","2","1","","Li, Lei; Zhang, Junliang","Lewis acid-catalyzed [3 + 2]cyclo-addition of alkynes with N-tosyl-aziridines via carbon-carbon bond cleavage: synthesis of highly substituted 3-pyrrolines.","Organic letters","2011","13","22","5940","5943","10.1021/ol202603e","","","0.71073","MoKα","","0.0487","0.0447","","","0.1225","0.1275","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502584","8.1512","0.0004","17.576","0.001","17.2991","0.001","90","","102.651","0.001","90","","2418.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Organic","Organic","","- C24 H30 Br N O4 Si -","- C24 H30 Br N O4 Si -","- C96 H120 Br4 N4 O16 Si4 -","4","1","","Xu, Xinfang; Ratnikov, Maxim O.; Zavalij, Peter Y.; Doyle, Michael P.","Multifunctionalized 3-hydroxypyrroles in a three-step, one-pot cascade process from methyl 3-TBSO-2-diazo-3-butenoate and nitrones.","Organic letters","2011","13","22","6122","6125","10.1021/ol2026125","","","0.71073","MoKα","","0.0327","0.0262","","","0.0526","0.0541","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502585","5.9348","0.0004","8.4805","0.0005","15.4624","0.0009","90.9745","0.0009","97.1725","0.0009","90.8725","0.0009","771.9","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","organic","organic","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Xu, Xinfang; Ratnikov, Maxim O.; Zavalij, Peter Y.; Doyle, Michael P.","Multifunctionalized 3-hydroxypyrroles in a three-step, one-pot cascade process from methyl 3-TBSO-2-diazo-3-butenoate and nitrones.","Organic letters","2011","13","22","6122","6125","10.1021/ol2026125","","","0.71073","MoKα","","0.0381","0.036","","","0.0717","0.0726","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502586","8.797","0.004","9.896","0.005","22.154","0.011","95.763","0.01","92.756","0.01","98.775","0.013","1892.5","1.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","2","","Hu, Bao; Wang, Zhao; Ai, Ning; Zheng, Jie; Liu, Xing-Hai; Shan, Shang; Wang, Zhongwen","Catalyst-free preparation of 1,2,4,5-tetrasubstituted imidazoles from a novel unexpected domino reaction of 2-azido acrylates and nitrones.","Organic letters","2011","13","24","6362","6365","10.1021/ol202650z","","","0.71073","MoKα","","0.0975","0.042","","","0.0759","0.1015","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502587","10.6512","0.0004","16.4297","0.0006","17.8203","0.0007","76.573","0.003","79.336","0.003","85.849","0.003","2979.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H64 F12 N4 O12 P2 -","- C61 H64 F12 N4 O12 P2 -","- C122 H128 F24 N8 O24 P4 -","2","1","","Yan, Xuzhou; Wei, Peifa; Zhang, Mingming; Chi, Xiaodong; Liu, Jiyong; Huang, Feihe","[2]Pseudorotaxanes based on the recognition of cryptands to vinylogous viologens.","Organic letters","2011","13","24","6370","6373","10.1021/ol202657s","","","1.54184","CuKα","","0.0732","0.0481","","","0.1076","0.123","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502588","10.17908","0.00016","15.1636","0.0002","38.4029","0.0007","90","","89.9136","0.0015","90","","5927.54","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 F12 N3 O15 P2 -","- C54 H67 F12 N3 O15 P2 -","- C216 H268 F48 N12 O60 P8 -","4","1","","Yan, Xuzhou; Wei, Peifa; Zhang, Mingming; Chi, Xiaodong; Liu, Jiyong; Huang, Feihe","[2]Pseudorotaxanes based on the recognition of cryptands to vinylogous viologens.","Organic letters","2011","13","24","6370","6373","10.1021/ol202657s","","","1.54184","CuKα","","0.0951","0.0822","","","0.2282","0.2424","","","","","","1.029","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502589","38.108","0.004","3.8376","0.0005","21.281","0.002","90","","108.88","0.008","90","","2944.8","0.6","100.15","","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 S2 -","- C22 H12 S2 -","- C176 H96 S16 -","8","1","","Black, Hayden T.; Liu, Shubin; Ashby, Valerie Sheares","Synthesis, crystal structures, and electronic properties of nonlinear fused thienoacene semiconductors.","Organic letters","2011","13","24","6492","6495","10.1021/ol202662s","","","1.54184","CuKα","","0.1073","0.0635","","","0.1331","0.1527","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502590","20.3514","0.0003","3.7882","0.0001","21.2429","0.0004","90","","118.588","0.001","90","","1438.06","0.05","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 N2 S2 -","- C20 H10 N2 S2 -","- C80 H40 N8 S8 -","4","1","","Black, Hayden T.; Liu, Shubin; Ashby, Valerie Sheares","Synthesis, crystal structures, and electronic properties of nonlinear fused thienoacene semiconductors.","Organic letters","2011","13","24","6492","6495","10.1021/ol202662s","","","1.54178","CuKα","","0.0348","0.0328","","","0.0855","0.0872","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502591","6.3501","0.0004","14.4176","0.0008","16.3945","0.001","90","","90","","90","","1500.97","0.16","223.1","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Calter, Michael A.; Korotkov, Alexander","Catalytic, asymmetric, interrupted Feist-Bénary reactions of α-tosyloxyacetophenones.","Organic letters","2011","13","23","6328","6330","10.1021/ol2026697","","","0.71075","MoKα","","","0.0462","","","","0.1081","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502592","6.8234","0.0001","22.6101","0.0005","9.6941","0.0002","90","","107.665","0.001","90","","1425.06","0.05","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H18 I N O2 -","- C13 H18 I N O2 -","- C52 H72 I4 N4 O8 -","4","1","","Tasker, Sarah Z.; Brandsen, Benjamin M.; Ryu, Keun Ah; Snapper, Gregory S.; Staples, Richard J.; DeKock, Roger L.; Anderson, Carolyn E.","Synthesis of a new class of β-iodo N-alkenyl 2-pyridones.","Organic letters","2011","13","23","6224","6227","10.1021/ol202679t","","x-ray","0.71073","MoKα","","0.0261","0.0208","","","0.041","0.0423","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502593","8.327","0.002","11.225","0.003","16.443","0.005","108.255","0.005","96.36","0.005","91.162","0.003","1448.1","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C64 H48 N8 O12 S4 -","4","4","","Wang, Xiao-Na; Shen, Li-Tao; Ye, Song","NHC-catalyzed enantioselective [2 + 2] and [2 + 2 + 2] cycloadditions of ketenes with isothiocyanates.","Organic letters","2011","13","24","6382","6385","10.1021/ol202688h","","","0.71073","MoKα","","0.0629","0.0574","","","0.1133","0.1176","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502594","7.6443","0.0015","9.925","0.002","31.114","0.006","90","","90","","90","","2360.6","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O4 S -","- C27 H24 N2 O4 S -","- C108 H96 N8 O16 S4 -","4","1","","Wang, Xiao-Na; Shen, Li-Tao; Ye, Song","NHC-catalyzed enantioselective [2 + 2] and [2 + 2 + 2] cycloadditions of ketenes with isothiocyanates.","Organic letters","2011","13","24","6382","6385","10.1021/ol202688h","","","0.71073","MoKα","","0.0508","0.0466","","","0.0883","0.0906","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502595","7.889","0.0016","17.297","0.004","22.433","0.005","90","","90","","90","","3061.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Chun, Yu Sung; Lee, Jun Hee; Kim, Ju Hyun; Ko, Young Ok; Lee, Sang-gi","Tandem one-pot synthesis of polysubstituted pyridines using the Blaise reaction intermediate and 1,3-enynes.","Organic letters","2011","13","24","6390","6393","10.1021/ol202691b","","","0.71073","MoKα","","0.0498","0.0393","","","0.1068","0.1103","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502596","11.166","0.004","12.401","0.002","12.834","0.003","90","","92.813","0.014","90","","1775","0.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F3 N O3 S -","- C16 H22 F3 N O3 S -","- C64 H88 F12 N4 O12 S4 -","4","1","","Maeda, Ryoko; Ishibashi, Rie; Kamaishi, Ryo; Hirotaki, Kensuke; Furuno, Hiroshi; Hanamoto, Takeshi","AgSbF6-promoted cycloaddition reaction of 2-trifluoromethyl-N-tosylaziridine with aldehydes.","Organic letters","2011","13","23","6240","6243","10.1021/ol202697y","","","0.71073","MoKα","","0.04","0.0384","","","0.1034","0.1046","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502597","8.03","0.004","9.784","0.005","27.646","0.013","90","","90","","90","","2172","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Zheng, Danqing; Li, Shaoyu; Luo, Yong; Wu, Jie","An efficient route to tetrahydroindeno[2,1-b]pyrroles via a base-promoted reaction of (E)-2-alkynylphenylchalcone with 2-isocyanoacetate.","Organic letters","2011","13","24","6402","6405","10.1021/ol202708f","","","0.71073","MoKα","","0.0969","0.0547","","","0.1099","0.1228","","","","","","0.918","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502598","8.3457","0.0013","18.861","0.003","11.0182","0.0017","90","","96.511","0.007","90","","1723.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C72 H104 N8 O12 -","4","1","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.","Organic letters","2011","13","24","6406","6409","10.1021/ol202710g","","","0.71073","MoKα","","0.0424","0.0366","","","0.1029","0.1085","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502599","9.1434","0.0015","13.852","0.002","16.964","0.003","94.441","0.009","102.125","0.008","105.899","0.008","1999.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C84 H92 N12 O20 -","4","2","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.","Organic letters","2011","13","24","6406","6409","10.1021/ol202710g","","","0.71073","MoKα","","0.067","0.0498","","","0.1208","0.1307","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502600","12.696","0.0004","8.2166","0.0002","18.0143","0.0006","90","","96.7494","0.0013","90","","1866.19","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.","Organic letters","2011","13","24","6406","6409","10.1021/ol202710g","","","0.71073","MoKα","","0.0758","0.0482","","0.1345","0.1081","0.1345","","","","","","0.9378","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502601","11.575","0.0004","8.1302","0.0003","16.0924","0.0005","90","","107.288","0.002","90","","1445.99","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 O6 Si -","- C29 H44 O6 Si -","- C58 H88 O12 Si2 -","2","1","","Milgram, Benjamin C.; Liau, Brian B.; Shair, Matthew D.","Gram-scale synthesis of the A'B'-subunit of angelmicin B.","Organic letters","2011","13","24","6436","6439","10.1021/ol202728v","","","0.71073","MoKα","","0.0449","0.0395","","","0.0906","0.0939","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502602","24.901","0.017","7.639","0.005","11.23","0.008","90","","100.741","0.009","90","","2099","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C88 H100 N4 O20 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1358","0.0762","","","0.1451","0.172","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502603","14.21","0.02","10.072","0.015","19.29","0.03","90","","90.054","0.015","90","","2761","7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N O5 S -","- C30 H33 N O5 S -","- C120 H132 N4 O20 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1605","0.0702","","","0.1364","0.1758","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502604","15.819","0.017","11.095","0.012","11.877","0.013","90","","90","","90","","2085","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong","Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.","Organic letters","2011","13","24","6448","6451","10.1021/ol202746s","","","0.71073","MoKα","","0.1407","0.0782","","","0.1953","0.2676","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502605","16.582","0.002","9.8096","0.0014","14.674","0.002","90","","107.269","0.004","90","","2279.3","0.5","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C92 H104 N8 O28 -","4","1","","McGarraugh, Patrick G.; Brenner-Moyer, Stacey E","An organocascade kinetic resolution.","Organic letters","2011","13","24","6460","6463","10.1021/ol2027587","","","0.71075","MoKα","","","0.0736","","","","0.1664","","","","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502606","7.141","0.004","7.661","0.004","22.911","0.011","99.035","0.012","92.721","0.015","94.612","0.013","1231.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","H_BF2","","","- C13 H11 B F2 N2 O -","- C13 H11 B F2 N2 O -","- C52 H44 B4 F8 N8 O4 -","4","2","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.082","0.0543","","","0.1531","0.174","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502607","8.812","0.004","11.747","0.006","19.548","0.01","90","","90.68","0.007","90","","2023.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ph_BPh2","phenyl BPh2","","- C25 H21 B N2 O -","- C25 H21 B N2 O -","- C100 H84 B4 N8 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.0649","0.0519","","","0.1465","0.1591","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502608","12.294","0.003","8.786","0.002","21.378","0.006","90","","98.416","0.003","90","","2284.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NMe2_BPh2","dimethylaminophenyl BPh2","","- C27 H26 B N3 O -","- C27 H26 B N3 O -","- C108 H104 B4 N12 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.0691","0.0565","","","0.1533","0.1651","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502609","7.632","0.003","11.523","0.005","16.749","0.008","90","","98.856","0.006","90","","1455.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","NMe2_BF2","","","- C15 H16 B F2 N3 O -","- C15 H16 B F2 N3 O -","- C60 H64 B4 F8 N12 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.1839","0.1153","","","0.2703","0.2966","","","","","","1.44","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502610","13.4488","0.0009","12.1633","0.0008","18.4592","0.0013","90","","108.832","0.002","90","","2857.9","0.3","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 O5 Si2 -","- C28 H38 O5 Si2 -","- C112 H152 O20 Si8 -","4","2","","Adachi, Masaatsu; Yamada, Hitomi; Isobe, Minoru; Nishikawa, Toshio","Total synthesis of polygalolide A.","Organic letters","2011","13","24","6532","6535","10.1021/ol2028256","","","0.71073","MoKα","","0.0904","0.0529","","","0.1072","0.1254","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502611","8.107","0.002","8.585","0.002","9.637","0.002","112.308","0.004","107.086","0.004","97.024","0.005","572","0.2","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Grillet, Francois; Huang, Chaofeng; Brummond, Kay M.","An allenic Pauson-Khand approach to 6,12-guaianolides.","Organic letters","2011","13","23","6304","6307","10.1021/ol2028515","","","0.71073","MoKα","","0.0774","0.067","","","0.2023","0.2095","","","","","","1.85","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502612","8.2973","0.0003","29.0172","0.001","9.8779","0.0003","90","","108.728","0.002","90","","2252.33","0.13","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl4 N3 Pd -","- C22 H17 Cl4 N3 Pd -","- C88 H68 Cl16 N12 Pd4 -","4","1","","Zhu, Ming-Kui; Zhao, Jun-Feng; Loh, Teck-Peng","Palladium-catalyzed C-C bond formation of arylhydrazines with olefins via carbon-nitrogen bond cleavage.","Organic letters","2011","13","23","6308","6311","10.1021/ol202862t","","","0.71073","MoKα","","0.0438","0.0355","","","0.0717","0.0755","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502613","7.8221","0.0005","14.5983","0.0008","27.4837","0.0016","90","","90","","90","","3138.3","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.057","0.0372","","","0.0912","0.1007","","","","","","0.984","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502614","16.127","0.002","9.1351","0.0014","12.0699","0.0017","90","","102.693","0.002","90","","1734.7","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.1124","0.0491","","","0.1166","0.1517","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502615","8.8113","0.0015","7.6399","0.0013","13.258","0.002","90","","93.732","0.002","90","","890.6","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.035","0.0332","","","0.0884","0.0903","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502616","15.726","0.005","9.432","0.003","12.59","0.004","90","","103.66","0.004","90","","1814.6","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3c","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.0564","0.0392","","","0.1062","0.1236","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502617","15.473","0.002","18.679","0.003","18.972","0.003","90","","95.737","0.003","90","","5455.8","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cl N7 O -","- C31 H28 Cl N7 O -","- C248 H224 Cl8 N56 O8 -","8","2","","Wang, Zu-Li; Zhao, Liang; Wang, Mei-Xiang","Regiospecific functionalization of azacalixaromatics through copper-mediated aryl C-H activation and C-O bond formation.","Organic letters","2011","13","24","6560","6563","10.1021/ol202874n","","","0.71073","MoKα","","0.1323","0.1111","","","0.2639","0.2763","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502618","9.6319","0.0002","10.4594","0.0003","16.7964","0.0005","90","","90","","90","","1692.13","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Fustero, Santos; Rodríguez, Elsa; Herrera, Lidia; Asensio, Amparo; Maestro, Miguel A.; Barrio, Pablo","Intramolecular Michael reaction of tert-butylsulfinyl ketimines: asymmetric synthesis of 3-substituted indanones.","Organic letters","2011","13","24","6564","6567","10.1021/ol2028948","","","0.71073","MoKα","","0.0378","0.0324","","","0.0982","0.1138","","","","","","0.683","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502619","9.4722","0.0002","10.0791","0.0002","16.3227","0.0005","90","","92.756","0.002","90","","1556.55","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H22 N O3 P -","- C15 H22 N O3 P -","- C60 H88 N4 O12 P4 -","4","2","","Adams, Harry; Collins, Rebecca C.; Jones, Simon; Warner, Christopher J. A.","Enantioselective preparation of P-chiral phosphine oxides.","Organic letters","2011","13","24","6576","6579","10.1021/ol202916j","","","0.71073","MoKα","","0.0415","0.0351","","","0.0848","0.097","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502620","6.3728","0.0001","12.4132","0.0001","15.5812","0.0002","90","","90","","90","","1232.58","0.03","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1717","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Lim, Hwan Jung; RajanBabu, T. V.","Ethylene in organic synthesis: a new route to anticholenergic pyrrolidinoindolines, and other molecules with all carbon-quaternary centers via asymmetric hydrovinylation.","Organic letters","2011","13","24","6596","6599","10.1021/ol203052y","","x-ray","0.71073","MoKα","","0.0442","0.0328","","","0.0724","0.0798","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502621","8.5745","0.0002","14.1089","0.0003","8.8408","0.0002","90","","94.154","0.001","90","","1066.72","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","RajanBabu 1724","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Lim, Hwan Jung; RajanBabu, T. V.","Ethylene in organic synthesis: a new route to anticholenergic pyrrolidinoindolines, and other molecules with all carbon-quaternary centers via asymmetric hydrovinylation.","Organic letters","2011","13","24","6596","6599","10.1021/ol203052y","","x-ray","0.71073","MoKα","","0.0461","0.0346","","","0.0814","0.0864","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502622","6.9608","0.0002","15.583","0.0007","31.3056","0.0013","90","","90","","90","","3395.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N O2.5 -","- C18 H25 Cl N O2.5 -","- C144 H200 Cl8 N8 O20 -","8","2","","Shevchenko, Anna; Belle, David Din; Tiittanen, Saara; Karjalainen, Arto; Tolvanen, Arto; Tanninen, Veli Pekka; Haarala, Jorma; Mäkelä, Mikko; Yliruusi, Jouko; Miroshnyk, Inna","Coupling Polymorphism/Solvatomorphism and Physical Stability Evaluation with Early Salt Synthesis Optimization of an Investigational Drug","Organic Process Research & Development","2011","15","3","666","","10.1021/op200026f","","","0.71073","MoKα","","0.1111","0.0685","","","0.1217","0.1352","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502623","24.264","0.008","24.798","0.01","26.166","0.008","90","","104.12","0.02","90","","15268","9","100.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H84 Cl2 N6 P2 Ru -","- C74 Cl2 N6 P2 Ru -","- C592 Cl16 N48 P16 Ru8 -","8","2","","Goto, Mitsutaka; Konishi, Takahiro; Kawaguchi, Shinji; Yamada, Masatoshi; Nagata, Toshiaki; Yamano, Mitsuhisa","Process Research on the Asymmetric Hydrogenation of a Benzophenone for Developing the Manufacturing Process of the Squalene Synthase Inhibitor TAK-475","Organic Process Research & Development","2011","15","5","1178","","10.1021/op2001673","","","1.5419","CuKα","","0.1948","0.1857","","","","0.46","","","","","","1.72","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504313","11.9996","0.0023","5.4711","0.001","9.2156","0.0018","90","","90","","90","","605","0.2","","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","Barium Iron Selenide","Barium Diiron(II) Triselenide","","- Ba Fe2 Se3 -","- Ba Fe2 Se3 -","- Ba4 Fe8 Se12 -","4","0.5","","Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T.","Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3}","Physical Review B","2011","84","18","180409","","10.1103/PhysRevB.84.180409","","neutron","","neutron","","","","","","","","","","1.96","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504314","11.88345","0.00024","5.41411","0.0001","9.14086","0.0002","90","","90","","90","","588.11","0.02","","","5","","","","","","","","","3","P n m a","-P 2ac 2n","62","Barium Iron Selenide","Barium Diiron(II) Triselenide","","- Ba Fe2 Se3 -","- Ba Fe2 Se3 -","- Ba4 Fe8 Se12 -","4","0.5","","Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T.","Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3}","Physical Review B","2011","84","18","180409","","10.1103/PhysRevB.84.180409","","neutron","","neutron","","","","","","","","","","0.132","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507756","3.9999","","3.9999","","4.017","","90","","90","","90","","64.269","","","","","","","","","","","","","3","P 4 m m","P 4 -2","99","Barium titanate","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.125","","Natheer B. Mahmood; Emad K. Al-Shakarchi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","267938","2021-08-04","12:03:41",""
"1507757","4.0073","","4.0073","","4.0073","","90","","90","","90","","64.351","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","Barium titanate","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.0208333","","Natheer B. Mahmood; Emad K. Al-Shakarchi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","267938","2021-08-04","12:03:51",""
"1507770","5.99259","0.00013","5.57807","0.00012","11.5208","0.0003","90","","90","","90","","385.107","0.015","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- F2.26 Fe0.26 Pb0.74 -","- F1.557 Fe0.25975 Pb0.74025 -","- F12.456 Fe2.078 Pb5.922 -","8","0.5","","Le Bail, A","The anion-excess fluorite structure of beta-Pb1-xFexF2-x (0.25 < x < 0.27)","Powder Diffraction","2011","26","","303","307","10.1154/1.3659491","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507773","6.7813","0.0001","7.4944","0.0001","8.5013","0.0001","95.257","0.001","102.478","0.001","108.979","0.001","392.733","0.01","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 Al N O6 -","- C7 H3 Al N O6 -","- C14 H6 Al2 N2 O12 -","2","1","","Stahl, K; Brink, B; Andersen, J","Structure determination of a novel metal-organic compound synthesized from aluminum and 2,5-pyridinedicarboxylic acid","Powder Diffraction","2011","","","S44","S46","10.1154/1.3659288","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507774","4.1769","0.0002","4.7218","0.0002","58.3385","0.0001","89.44","0.003","89.634","0.005","75.854","0.001","1115.63","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H43 Ag O2 -","- C22 H43 Ag O2 -","- C44 H86 Ag2 O4 -","2","1","","Blanton, T N; Rajeswraran, M; Stephens, P W; Whitcomb, D R; Misture, S T; Kaduk, J A","Crystal structure determination of the silver carboxylate dimer [Ag(O2C22H43)]2, silver behenate, using powder X-ray diffraction methods","Powder Diffraction","2011","26","","313","320","10.1154/1.3661981","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507777","7.1135","0.0014","7.8442","0.0015","9.3719","0.0018","106.09","0.007","94.468","0.007","112.506","0.008","454.12","0.16","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Bi3.33 O10 V2 -","- Bi3.26 O10 V2 -","- Bi6.52 O20 V4 -","2","1","","Kumada, N; Takei, T; Haramoto, R; Yonesaki, Y; Dong, Q; Kinomura, N; Nishimoto, S; Kameshima, Y; Miyake, M","Preparation and crystal structure of a new bismuth vanadate, Bi3.33(VO4)2O2","Materials Research Bulletin","2011","46","","962","965","10.1016/j.materresbull.2011.02.009","","","0.71075","MoKα","","","0.0521","","","","0.1443","","","","","","0.734","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507781","16.4414","0.0012","9.8667","0.0007","24.3148","0.0018","90","","90.674","0.001","90","","3944.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cu2 N4 O5 -","- C46 H42 Cu2 N4 O5 -","- C184 H168 Cu8 N16 O20 -","4","1","","Selvakumar, P M; Nadella, N; Prathap, K J; Kureshy, R I; Suresh, E; Subramanian, P S","Synthesis, Crystal Structure and Catalytic studies on Dinuclear Cu(II)-Mesocates","Inorganica Chimica Acta","2011","375","1","106","113","10.1016/j.ica.2011.04.033","","","0.71073","MoKα","","0.0735","0.0556","","","0.1179","0.1254","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507782","12.891","0.012","13.324","0.011","23.68","0.02","90","","90","","90","","4067","6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H32 Cl4 Cu2 N4 O4 -","- C44 H32 Cl4 Cu2 N4 O4 -","- C176 H128 Cl16 Cu8 N16 O16 -","4","0.5","","Selvakumar, P M; Nadella, N; Prathap, K J; Kureshy, R I; Suresh, E; Subramanian, P S","Synthesis, Crystal Structure and Catalytic studies on Dinuclear Cu(II)-Mesocates","Inorganica Chimica Acta","2011","375","1","106","113","10.1016/j.ica.2011.04.033","","","0.71073","MoKα","","0.2016","0.0798","","","0.1223","0.1626","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507786","12.5248","0.0006","19.3128","0.0009","23.8828","0.0012","81.046","0.002","75.573","0.002","78.114","0.002","5441.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Cl4 Mn2 N4 O18 -","- C48 H54 Cl4 Mn2 N4 O18 -","- C192 H216 Cl16 Mn8 N16 O72 -","4","2","","Corbella, M; Gomez, V; Garcia, B; Rodriguez, E; Albela, B; Maestro, M A","Synthesis, crystal structure and magnetic properties of new dinuclear Mn(III) compounds with 4-ClC6H4COO and 4-BrC6H4COO bridges","Inorganica Chimica Acta","2011","376","1","456","462","10.1016/j.ica.2011.07.016","","","0.71073","MoKα","","0.1525","0.085","","","0.2127","0.2471","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507787","25.4824","0.0006","25.4824","0.0006","35.0425","0.0011","90","","90","","120","","19706.4","0.9","298","2","298","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36.67 H31 Br2 Cl2 Mn2 N4.33 O14 -","- C36.6667 H30.99 Br2 Cl2 Mn2 N4.33333 O14 -","- C660 H557.82 Br36 Cl36 Mn36 N78 O252 -","18","1","","Corbella, M; Gomez, V; Garcia, B; Rodriguez, E; Albela, B; Maestro, M A","Synthesis, crystal structure and magnetic properties of new dinuclear Mn(III) compounds with 4-ClC6H4COO and 4-BrC6H4COO bridges","Inorganica Chimica Acta","2011","376","1","456","462","10.1016/j.ica.2011.07.016","","","0.71073","MoKα","","0.1455","0.0677","","","0.1421","0.1807","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507928","17.8247","0.0005","11.4245","0.0003","35.8766","0.0012","90","","90","","90","","7305.8","0.4","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H35 Cl Fe Ir N O4 P2 -","- C44 H35 Cl Fe Ir N O4 P2 -","- C352 H280 Cl8 Fe8 Ir8 N8 O32 P16 -","8","2","","Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J.","Iridium-catalysed direct C-C coupling of methanol and allenes.","Nature chemistry","2011","3","4","287","290","10.1038/nchem.1001","","","0.71069","MoKα","","0.0959","0.0761","","","0.1271","0.1333","","","","","","1.322","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507929","14.755","0.003","14.831","0.003","7.1877","0.0016","90","","95.469","0.004","90","","1565.7","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-(p-hydroxyphenyl)-7-thiomethyl-1-oxaazulan-2-one","","- C33 H26 Cl2 O6 S2 -","- C33 H26 Cl2 O6 S2 -","- C66 H52 Cl4 O12 S4 -","2","0.5","","Seyedsayamdost, Mohammad R.; Case, Rebecca J.; Kolter, Roberto; Clardy, Jon","The Jekyll-and-Hyde chemistry of Phaeobacter gallaeciensis.","Nature chemistry","2011","3","4","331","335","10.1038/nchem.1002","","","0.71073","MoKα","","0.1123","0.0781","","","0.1911","0.2151","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507930","18.65","0.0017","18.65","0.0017","6.8329","0.0009","90","","90","","120","","2058.2","0.4","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","stam1","","","- C60 H68 Cu6 O52 -","- C60 H48 Cu6 O52 -","- C60 H48 Cu6 O52 -","1","0.0833333","","Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S.; McKinlay, Alistair C.; Li, Yang; Slawin, Alexandra M. Z.; Aldous, David W.; Cessford, Naomi F.; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K. Mark; Griffin, John M.; Ashbrook, Sharon E.; Morris, Russell E.","Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework.","Nature chemistry","2011","3","4","304","310","10.1038/nchem.1003","","","0.71073","MoKα","","0.069","0.056","","","0.1339","0.1415","","","","","","1.149","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507931","12.3462","0.0016","13.0526","0.0018","13.5703","0.0018","106.254","0.002","101.926","0.002","105.292","0.002","1930","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H86 Cl6 N4 P4 Si4 U2 -","- C69 H86 Cl6 N4 P4 Si4 U2 -","- C69 H86 Cl6 N4 P4 Si4 U2 -","1","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0519","0.0369","","","0.0774","0.0839","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507932","10.8234","0.0009","11.895","0.001","16.7711","0.0014","91.171","0.002","94.744","0.002","101.546","0.002","2106.7","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H100 Cl4 N4 O2 P4 Si4 U2 -","- C70 H92 Cl4 N4 O2 P4 Si4 U2 -","- C70 H92 Cl4 N4 O2 P4 Si4 U2 -","1","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0544","0.0398","","","0.0754","0.0787","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507933","35.693","0.007","12.776","0.002","21.448","0.004","90","","121.351","0.003","90","","8353","3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H100 I4 N4 P4 Si4 U2 -","- C62 H76 I4 N4 P4 Si4 U2 -","- C248 H304 I16 N16 P16 Si16 U8 -","4","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.1121","0.0915","","","0.2588","0.2702","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507934","17.3132","0.0009","27.8758","0.0015","36.903","0.003","90","","90","","90","","17810","2","90","2","90","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2 -","- C69 H86 Cl1.224 I0.78 N4 P4 Si4 U2 -","- C552 H688 Cl9.792 I6.24 N32 P32 Si32 U16 -","8","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0483","0.0457","","","0.1214","0.1231","","","","","","1.043","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1507935","9.836","0.003","12.37","0.003","22.185","0.006","74.697","0.004","78.713","0.004","81.039","0.004","2537.7","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H71 I2 N2 O P2 Si2 U -","- C35 H47 I2 N2 O P2 Si2 U -","- C70 H94 I4 N4 O2 P4 Si4 U2 -","2","1","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0863","0.064","","","0.1555","0.1648","","","","","","0.956","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507936","10.399","0.0009","12.5771","0.0011","17.9435","0.0016","85.865","0.002","84.843","0.002","66.167","0.002","2136.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H55 Cl3 N2 O2 P2 Si2 U -","- C39 H55 Cl3 N2 O2 P2 Si2 U -","- C78 H110 Cl6 N4 O4 P4 Si4 U2 -","2","1","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0482","0.0331","","","0.0691","0.074","","","","","","1.032","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507937","14.7634","0.0003","8.8165","0.0002","18.114","0.0004","90","","107.073","0.0009","90","","2253.84","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Au Cl4 N -","- C16 H36 Au Cl4 N -","- C64 H144 Au4 Cl16 N4 -","4","1","","Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D.","Core@shell bimetallic nanoparticle synthesis via anion coordination.","Nature chemistry","2011","3","6","478","483","10.1038/nchem.1030","","","0.71073","MoKα","","0.0515","0.0292","","0.088","0.0691","0.088","","","","","","0.9366","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507938","10.9999","0.0005","11.9542","0.0005","17.7219","0.0009","91.4858","0.0017","103.352","0.002","107.87","0.002","2146.14","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Cl6 N2 Pd2 -","- C32 H72 Cl6 N2 Pd2 -","- C64 H144 Cl12 N4 Pd4 -","2","1","","Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D.","Core@shell bimetallic nanoparticle synthesis via anion coordination.","Nature chemistry","2011","3","6","478","483","10.1038/nchem.1030","","","0.71073","MoKα","","0.1097","0.0509","","0.117","0.0821","0.1169","","","","","","0.9755","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507939","9.7093","0.0006","11.9854","0.0008","15.6951","0.0011","90","","93.883","0.005","90","","1822.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 Cl N2 O7 -","- C45 H39 Cl N2 O7 -","- C90 H78 Cl2 N4 O14 -","2","1","","Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F","Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst.","Nature chemistry","2011","3","6","473","477","10.1038/nchem.1039","","","1.54178","CuKα","","0.0635","0.056","","","0.1318","0.1398","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507940","9.4062","0.0006","27.3462","0.0017","12.0053","0.0008","90","","97.589","0.001","90","","3061","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H29 Cl N2 O6 -","- C36 H29 Cl N2 O6 -","- C144 H116 Cl4 N8 O24 -","4","2","","Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F","Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst.","Nature chemistry","2011","3","6","473","477","10.1038/nchem.1039","","","0.71073","MoKα","","0.0528","0.0471","","","0.1178","0.1232","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507941","16.4998","0.0006","16.4998","0.0006","27.6279","0.0009","90","","90","","90","","7521.5","0.5","153.1","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C35 H50 O10 Si2 -","- C35.995 H37 O9 Si2 -","- C287.96 H296 O72 Si16 -","8","1","","Tanino, Keiji; Takahashi, Motomasa; Tomata, Yoshihide; Tokura, Hiroshi; Uehara, Taketo; Narabu, Takashi; Miyashita, Masaaki","Total synthesis of solanoeclepin A.","Nature chemistry","2011","3","6","484","488","10.1038/nchem.1044","","","0.71075","MoKα","","","0.0623","","","","0.1441","","","","","","0.866","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507942","8.433","0.0003","21.6173","0.0008","13.7382","0.0005","90","","107.011","0.0015","90","","2394.88","0.15","123","","123","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 N2 P2 Ru -","- C20 H44 N2 P2 Ru -","- C80 H176 N8 P8 Ru4 -","4","1","","Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven","Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand.","Nature chemistry","2011","3","7","532","537","10.1038/nchem.1051","","","0.71073","MoKα","","0.0211","0.0205","","","0.0504","0.0509","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507943","8.4996","0.0003","21.0038","0.0007","19.3021","0.0007","90","","90.1511","0.0017","90","","3445.9","0.2","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 N2 O4 P2 Ru -","- C30 H60 N2 O4 P2 Ru -","- C120 H240 N8 O16 P8 Ru4 -","4","1","","Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven","Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand.","Nature chemistry","2011","3","7","532","537","10.1038/nchem.1051","","","0.71073","MoKα","","0.0317","0.0282","","","0.0697","0.0719","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507944","10.4307","0.0006","13.7396","0.0008","16.9587","0.001","70.6501","0.0008","77.8476","0.0007","70.9419","0.0007","2153.1","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Gd2 K N6 O12 Si8 -","- C60 H144 Gd2 K N6 O12 Si8 -","- C60 H144 Gd2 K N6 O12 Si8 -","1","0.5","","Rinehart, Jeffrey D.; Fang, Ming; Evans, William J.; Long, Jeffrey R.","Strong exchange and magnetic blocking in N₂³⁻-radical-bridged lanthanide complexes.","Nature chemistry","2011","3","7","538","542","10.1038/nchem.1063","","","0.71073","MoKα","","0.0388","0.0261","","","0.0569","0.0613","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507945","10.2002","0.0005","13.9169","0.0007","14.9513","0.0008","83.367","0.0005","74.6788","0.0005","72.8161","0.0005","1953.99","0.17","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H128 Dy2 K N6 O10 Si8 -","- C52 H128 Dy2 K N6 O10 Si8 -","- C52 H128 Dy2 K N6 O10 Si8 -","1","0.5","","Rinehart, Jeffrey D.; Fang, Ming; Evans, William J.; Long, Jeffrey R.","Strong exchange and magnetic blocking in N₂³⁻-radical-bridged lanthanide complexes.","Nature chemistry","2011","3","7","538","542","10.1038/nchem.1063","","","0.71073","MoKα","","0.0162","0.0155","","","0.0405","0.041","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507946","20.5155","0.0015","20.5155","0.0015","15.0907","0.0013","90","","90","","90","","6351.5","0.9","294.1","","294.1","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H48.2 Mn2 N24 Nb O8.2 -","- C56 H48 Mn2 N24 Nb O8.2 -","- C224 H192 Mn8 N96 Nb4 O32.8 -","4","0.25","","Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko","Light-induced spin-crossover magnet.","Nature chemistry","2011","3","7","564","569","10.1038/nchem.1067","","","0.71075","MoKα","","","0.0454","","","","0.1497","","","","","","1.239","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507947","20.2001","0.0004","20.2001","0.0004","14.9565","0.0005","90","","90","","90","","6102.9","0.3","","","293","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C56 Fe2 N24 Nb O10 -","- C56 Fe2 N24 Nb O10 -","- C224 Fe8 N96 Nb4 O40 -","4","0.25","","Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko","Light-induced spin-crossover magnet.","Nature chemistry","2011","3","7","564","569","10.1038/nchem.1067","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.025","2.23","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507948","9.586","0.002","12.425","0.002","17.906","0.004","104.92","0.03","91.5","0.02","107.28","0.03","1955.6","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Gandelman-99(Yuri)","","","- C37 H38 Cl F6 N4 O P3 Rh -","- C37 H38 Cl F6 N4 O P3 Rh -","- C74 H76 Cl2 F12 N8 O2 P6 Rh2 -","2","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.1111","0.0776","","","0.2147","0.2317","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507949","28.71","0.006","28.71","0.006","10.909","0.002","90","","90","","120","","7787","3","293","2","293","2","","","","","","","","8","R 3 :H","R 3","146","Gandelman-91(Yuri)","","","- C24 H52.33 Br Cl2 N5 O2.33 P2 Ru -","- C24 H52.33 Br Cl2 N5 O2.33333 P2 Ru -","- C216 H470.97 Br9 Cl18 N45 O21 P18 Ru9 -","9","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.0871","0.0511","","","0.0984","0.1103","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507950","14.09","0.003","18.71","0.004","15.558","0.004","90","","101.48","0.03","90","","4019.4","1.6","240","2","240","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","Gandelman-93 (Yuri)","","","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C144 H128 Cl16 F24 N12 O4 P12 Rh4 -","4","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.0824","0.0467","","","0.1227","0.1355","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507951","48.783","0.007","16.309","0.002","16.08","0.002","90","","92.627","0.003","90","","12780","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Gandelman-106(Yuri)","","","- C28.25 H28 F9 N2.25 O1.25 P3 Rh0.75 -","- C28.25 H28 F9 N2.25 O1.25 P3 Rh0.75 -","- C452 H448 F144 N36 O20 P48 Rh12 -","16","2","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.1475","0.0662","","","0.1614","0.2053","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507952","7.1086","0.0002","12.1687","0.0005","12.6313","0.0005","90","","90","","90","","1092.64","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Br2 N4 O -","- C7 H12 Br2 N4 O -","- C28 H48 Br8 N16 O4 -","4","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0277","0.0221","","","0.0329","0.0333","","","","","","0.887","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507953","6.333","0.0001","10.3246","0.0002","26.9497","0.0004","90","","90","","90","","1762.12","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N4 O5 S -","- C16 H20 N4 O5 S -","- C64 H80 N16 O20 S4 -","4","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0332","0.029","","","0.0673","0.0698","","","","","","1.089","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507954","6.5187","0.0005","8.6895","0.0005","7.0751","0.0005","90","","98.453","0.004","90","","396.41","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0402","0.0334","","","0.0721","0.0752","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507955","10.1997","0.0004","12.253","0.0005","24.807","0.001","90","","90","","90","","3100.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 I2 O8 Si -","- C27 H42 I2 O8 Si -","- C108 H168 I8 O32 Si4 -","4","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.0314","0.0293","","","0.0678","0.0685","","","","","","1.156","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507956","13.7487","0.0003","13.6316","0.0003","18.3824","0.0004","90","","92.377","0.001","90","","3442.21","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H50 Cl2 O8 Si -","- C31 H50 Cl2 O8 Si -","- C124 H200 Cl8 O32 Si4 -","4","2","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","1.54178","CuKα","","0.0715","0.0566","","","0.1508","0.1603","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507957","10.018","0.0003","10.018","0.0003","66.931","0.004","90","","90","","90","","6717.2","0.5","142","","142","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H47 Br O6 Si -","- C33 H47 Br O6 Si -","- C264 H376 Br8 O48 Si8 -","8","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.094","0.0498","","","0.0918","0.0993","","","","","","0.893","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507958","10.5239","0.0011","14.5191","0.0015","22.649","0.002","90","","90","","90","","3460.7","0.6","171","","171","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Br O8 Si -","- C33 H47 Br O8 Si -","- C132 H188 Br4 O32 Si4 -","4","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.051","0.0374","","","0.082","0.0871","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507959","16.4546","0.0002","14.6655","0.0002","16.651","0.0002","90","","92.343","0.001","90","","4014.78","0.09","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 B Cl F12 P2 Pt S2 -","- C40 H30 B Cl F12 P2 Pt S2 -","- C160 H120 B4 Cl4 F48 P8 Pt4 S8 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0496","0.0291","","","0.0552","0.0619","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507960","13.2738","0.0006","18.9981","0.0008","19.6952","0.0009","90","","105.576","0.003","90","","4784.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 B22 F8 P2 Pt S2 -","- C32 H50 B22 F8 P2 Pt S2 -","- C128 H200 B88 F32 P8 Pt4 S8 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0862","0.0499","","","0.1013","0.1144","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507961","13.1494","0.0004","36.1583","0.0011","23.7534","0.0007","90","","95.836","0.002","90","","11235.3","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H110 B44 Cl10 F16 P4 Pt2 S4 -","- C69 H110 B44 Cl10 F16 P4 Pt2 S4 -","- C276 H440 B176 Cl40 F64 P16 Pt8 S16 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0816","0.052","","","0.1212","0.1354","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507962","13.5537","0.0003","19.4743","0.0004","19.6358","0.0004","90","","97.836","0.001","90","","5134.45","0.19","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H51 B22 Cl2 F8 P2 Pt S2 -","- C33 H51 B22 Cl2 F8 P2 Pt S2 -","- C132 H204 B88 Cl8 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.1401","0.0624","","","0.1243","0.1502","","","","","","0.976","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507963","26.1737","0.0005","19.4713","0.0004","26.191","0.0005","90","","118.272","0.001","90","","11755.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 B22 Cl6 F8 P2 Pt S2 -","- C36.5 H59 B22 Cl F8 P2 Pt S2 -","- C292 H472 B176 Cl8 F64 P16 Pt8 S16 -","8","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0963","0.0549","","","0.1446","0.1552","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507964","12.1925","0.0001","12.9626","0.0002","15.407","0.0002","84.221","0.001","72.108","0.001","71.635","0.001","2199.22","0.05","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H50 B2 Cl4 F8 P2 Pt S2 -","- C36 H46 B2 F8 P2 Pt S2 -","- C72 H92 B4 F16 P4 Pt2 S4 -","2","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0232","0.0209","","","0.0553","0.0567","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507965","13.2826","0.0003","18.4796","0.0004","23.5694","0.0005","110.442","0.001","99.975","0.001","91.216","0.001","5318","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H62 B2 Cl4 F8 P2 Pt S2 -","- C49.5 H61 B2 Cl3 F8 P2 Pt S2 -","- C198 H244 B8 Cl12 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0296","0.0243","","","0.0646","0.0666","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507966","12.6691","0.0002","19.7198","0.0003","19.9223","0.0003","93.78","0.001","107.622","0.001","100.194","0.001","4630.74","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 B2 F8 P2 Pt S2 -","- C44 H46 B2 F8 P2 Pt S2 -","- C176 H184 B8 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0415","0.0288","","","0.064","0.0664","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507967","9.4556","0.0008","18.6226","0.001","24.1172","0.0015","90","","98.277","0.004","90","","4202.5","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2 -","- C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2 -","- C161.2 H154.4 B8 Cl2.4 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0694","0.0603","","","0.1366","0.1419","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507968","10.9643","0.0002","14.7439","0.0003","13.67","0.0002","90","","96.109","0.001","90","","2197.3","0.07","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C41 H32 B2 Cl2 F16 P2 Pt S2 -","- C40 H30 B2 F16 P2 Pt S2 -","- C80 H60 B4 F32 P4 Pt2 S4 -","2","0.5","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0428","0.0385","","","0.1105","0.1135","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507969","6.8212","0.0002","17.6275","0.0005","17.9702","0.0005","90","","98.053","0.0013","90","","2139.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 B10 P S -","- C16 H25 B10 P S -","- C64 H100 B40 P4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.035","0.0322","","","0.0859","0.0881","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507970","10.5592","0.001","14.1502","0.0013","14.2279","0.0016","90","","93.374","0.007","90","","2122.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B10 P S -","- C16 H25 B10 P S -","- C64 H100 B40 P4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.087","0.0436","","","0.0877","0.099","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507971","9.5269","0.0001","13.5196","0.0002","18.9816","0.0002","90","","103.987","0.001","90","","2372.34","0.05","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 B10 P S -","- C18 H29 B10 P S -","- C72 H116 B40 P4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0964","0.0556","","","0.164","0.1797","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507972","12.3211","0.0002","13.5986","0.0002","14.9381","0.0003","90","","110.031","0.001","90","","2351.47","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B10 Cl2 P Pt S -","- C16 H25 B10 Cl2 P Pt S -","- C64 H100 B40 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0326","0.0227","","","0.047","0.0509","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507973","14.2619","0.0002","11.1469","0.0001","15.0388","0.0002","90","","90","","90","","2390.81","0.05","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H25 B10 Cl2 P Pt S -","- C16 H25 B10 Cl2 P Pt S -","- C64 H100 B40 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0286","0.0217","","","0.0394","0.0413","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507974","9.6308","0.0001","21.48","0.0003","14.1467","0.0002","90","","96.8895","0.0006","90","","2905.39","0.07","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 B10 Cl2 O0.5 P Pt S -","- C20 H34 B10 Cl2 O0.5 P Pt S -","- C80 H136 B40 Cl8 O2 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0423","0.0315","","","0.0749","0.0791","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507975","11.897","0.0019","13.9412","0.0013","14.7305","0.0016","90","","110.2","0.011","90","","2292.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cl2 P Pt S -","- C24 H29 Cl2 P Pt S -","- C96 H116 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0192","0.0154","","","0.0341","0.0353","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507976","11.574","0.0002","13.787","0.0003","14.616","0.0003","90","","99.605","0.0011","90","","2299.59","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H24 Cl3 P Pt S -","- C22.5 H23 Cl3 P Pt S -","- C90 H92 Cl12 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0556","0.0326","","","0.0582","0.0632","","","","","","0.952","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507977","12.71","0.003","13.992","0.003","12.838","0.003","90","","108.43","0.03","90","","2166","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N2 O P Ru -","- C20 H37 N2 O P Ru -","- C80 H148 N8 O4 P4 Ru4 -","4","1","","Balaraman, Ekambaram; Gunanathan, Chidambaram; Zhang, Jing; Shimon, Linda J. W.; Milstein, David","Efficient hydrogenation of organic carbonates, carbamates and formates indicates alternative routes to methanol based on CO2 and CO.","Nature chemistry","2011","3","8","609","614","10.1038/nchem.1089","","","0.71073","MoKα","","0.0603","0.0454","","","0.0842","0.0883","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507978","9.48719","0.00017","12.8846","0.0003","12.0111","0.0003","90","","96.4486","0.001","90","","1458.93","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H35 Cl N4 O4 -","- C30 H35 Cl N4 O4 -","- C60 H70 Cl2 N8 O8 -","2","1","","Hashimoto, Takuya; Kimura, Hidenori; Kawamata, Yu; Maruoka, Keiji","Generation and exploitation of acyclic azomethine imines in chiral Brønsted acid catalysis.","Nature chemistry","2011","3","8","642","646","10.1038/nchem.1096","","","1.54187","CuKα","","","0.0422","","","","0.102","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507979","7.354","0.004","7.354","0.004","43.22","0.005","90","","90","","120","","2024.2","1.6","93","2","93","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C7 H22 F18 N3 O6 V7 -","- C6 H34 F18 N4 O6 V7 -","- C18 H102 F54 N12 O18 V21 -","3","0.0833333","","Aidoudi, Farida H.; Aldous, David W.; Goff, Richard J.; Slawin, Alexandra M. Z.; Attfield, J. Paul; Morris, Russell E.; Lightfoot, Philip","An ionothermally prepared S = 1/2 vanadium oxyfluoride kagome lattice.","Nature chemistry","2011","3","10","801","806","10.1038/nchem.1129","","","0.71073","MoKα","","0.0816","0.0709","","","0.1798","0.1868","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507980","19.1682","0.0012","36.703","0.002","40.905","0.003","90","","90","","90","","28778","3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","C3(Cl)2","","","- C246 H375 Cl3 Fe N51 Na O52 -","- C246 H375 Cl3 Fe N51 Na O52 -","- C984 H1500 Cl12 Fe4 N204 Na4 O208 -","4","1","","Ousaka, Naoki; Takeyama, Yuki; Iida, Hiroki; Yashima, Eiji","Chiral information harvesting in dendritic metallopeptides.","Nature chemistry","2011","3","11","856","861","10.1038/nchem.1146","","","0.71073","MoKα","","0.1644","0.1096","","","0.2812","0.3283","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507981","13.2633","0.0013","30.498","0.003","18.0731","0.0018","90","","91.588","0.002","90","","7307.8","1.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H118 Dy4 Mo Si4 -","- C65 H118 Dy4 Mo Si4 -","- C260 H472 Dy16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.1161","0.0421","","","0.0642","0.0832","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507982","13.2652","0.0013","30.812","0.003","17.8231","0.0018","90","","92.078","0.002","90","","7280","1.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Dy4 Mo Si4 -","- C65 H116 Dy4 Mo Si4 -","- C260 H464 Dy16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0815","0.043","","","0.0813","0.0902","","","","","","0.88","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507983","13.2501","0.0013","30.326","0.003","18.0991","0.0018","90","","91.819","0.002","90","","7269","1.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H118 Ho4 Mo Si4 -","- C65 H118 Ho4 Mo Si4 -","- C260 H472 Ho16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0651","0.0358","","","0.0634","0.0688","","","","","","0.875","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507984","13.2847","0.0015","30.691","0.003","17.87","0.002","90","","92.072","0.002","90","","7281.2","1.4","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Ho4 Mo Si4 -","- C65 H116 Ho4 Mo Si4 -","- C260 H464 Ho16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0716","0.0453","","","0.1023","0.1104","","","","","","0.959","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507985","13.8691","0.0011","22.8409","0.0018","24.1291","0.0019","90","","91.841","0.002","90","","7639.7","1","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H119 Mo P Si4 Y4 -","- C61 H119 Mo P Si4 Y4 -","- C244 H476 Mo4 P4 Si16 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0736","0.0374","","","0.0677","0.0718","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507986","14.0625","0.001","23.1646","0.0017","24.1202","0.0018","90","","92.501","0.001","90","","7849.7","1","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H119 P Si4 W Y4 -","- C61 H119 P Si4 W Y4 -","- C244 H476 P4 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0738","0.0428","","","0.147","0.1527","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507987","13.4105","0.0012","14.0678","0.0012","22.368","0.002","95.1377","0.001","92.0563","0.001","118.155","0.001","3690.9","0.6","20","2","20","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H126 P Si4 W Y4 -","- C64 H126 P Si4 W Y4 -","- C128 H252 P2 Si8 W2 Y8 -","2","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","neutron","1.248","neutron","","0.1651","0.1032","","","0.2389","0.2852","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507988","13.5989","0.0015","30.857","0.004","17.665","0.002","90","","92.951","0.002","90","","7402.8","1.5","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 Mo Si4 Y4 -","- C64 H124 Mo Si4 Y4 -","- C256 H496 Mo4 Si16 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.1163","0.0402","","","0.0668","0.0815","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507989","13.5822","0.0007","30.8031","0.0016","17.6738","0.001","90","","92.814","0.001","90","","7385.3","0.7","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 Si4 W Y4 -","- C64 H124 Si4 W Y4 -","- C256 H496 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0621","0.0347","","","0.0731","0.0775","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507990","13.2794","0.0006","30.4306","0.0014","18.1306","0.0008","90","","91.851","0.001","90","","7322.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 Si4 W Y4 -","- C64 H124 Si4 W Y4 -","- C256 H496 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","neutron","","neutron","","0.2235","0.1894","","","0.4257","0.4464","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507991","13.7848","0.0009","20.179","0.0013","27.0183","0.0016","90","","91.457","0.001","90","","7513.1","0.8","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H118 Si4 W Y4 -","- C64 H118 Si4 W Y4 -","- C256 H472 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0723","0.0396","","","0.0959","0.1022","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507992","13.292","0.0008","30.7831","0.0017","17.8644","0.0011","90","","92.393","0.001","90","","7303.2","0.7","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Mo Si4 Y4 -","- C65 H116 Mo Si4 Y4 -","- C260 H464 Mo4 Si16 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.1455","0.048","","","0.0882","0.1124","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507993","10.05","0.0004","10.1301","0.0004","10.2065","0.0004","90","","96.154","0.001","90","","1033.11","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 B2 N2 O4 -","- C20 H26 B2 N2 O4 -","- C40 H52 B4 N4 O8 -","2","1","","Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G.","Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds.","Nature chemistry","2011","3","11","894","899","10.1038/nchem.1150","","","0.71073","MoKα","","0.0351","0.0324","","","0.0857","0.0885","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507994","9.058","0.002","9.824","0.002","14.734","0.003","98.499","0.002","96.322","0.002","92.204","0.003","1286.8","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H29 B2 Br N2 O4 -","- C26 H29 B2 Br N2 O4 -","- C52 H58 B4 Br2 N4 O8 -","2","2","","Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G.","Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds.","Nature chemistry","2011","3","11","894","899","10.1038/nchem.1150","","","0.71073","MoKα","","0.0401","0.0355","","","0.0955","0.0978","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507995","14.2028","0.0018","8.4774","0.0009","22.6154","0.0016","90","","107.307","0.008","90","","2599.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C120 H152 O16 -","4","1","","Biber, Nicole; Möws, Katrin; Plietker, Bernd","The total synthesis of hyperpapuanone, hyperibone L, epi-clusianone and oblongifolin A.","Nature chemistry","2011","3","12","938","942","10.1038/nchem.1170","","","1.54178","CuKα","","0.1633","0.0844","","","0.1543","0.2036","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507996","11.828","0.0019","12.398","0.002","13.938","0.002","85.265","0.003","69.159","0.002","68.396","0.002","1773.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 F2 N2 O4 Pd2 -","- C30 H22 F2 N2 O4 Pd2 -","- C60 H44 F4 N4 O8 Pd4 -","2","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0395","0.0299","","","0.0691","0.0712","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507997","11.3484","0.0013","16.5864","0.0019","17.37","0.002","90","","97.391","0.002","90","","3242.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H27 Cl5 N2 O4 Pd2 -","- C32.5 H27 Cl5 N2 O4 Pd2 -","- C130 H108 Cl20 N8 O16 Pd8 -","4","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0625","0.0361","","","0.0791","0.0916","","","","","","1.042","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507998","11.2537","0.0006","16.3457","0.0008","17.331","0.0009","90","","97.294","0.002","90","","3162.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C32 H26 Cl4 F N2 O4 Pd2 -","- C128 H104 Cl16 F4 N8 O16 Pd8 -","4","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0701","0.0466","","","0.11","0.1231","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507999","11.3423","0.0014","16.545","0.002","17.388","0.002","90","","97.364","0.002","90","","3236.1","0.7","130","1","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0543","0.0346","","","0.0838","0.0894","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508000","11.3622","0.0014","16.569","0.002","17.444","0.002","90","","97.382","0.002","90","","3256.8","0.7","160","2","160","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C20 H14.6667 N1.33333 O2.66667 Pd1.33333 -","- C120 H88 N8 O16 Pd8 -","6","1.5","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0546","0.0328","","","0.079","0.0847","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508001","11.3819","0.0005","16.6013","0.0007","17.4899","0.0007","90","","97.441","0.001","90","","3277","0.2","190","1","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C20 H14.6667 N1.33333 O2.66667 Pd1.33333 -","- C120 H88 N8 O16 Pd8 -","6","1.5","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0465","0.0291","","","0.0712","0.0757","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508002","11.395","0.0007","16.6424","0.001","17.529","0.0011","90","","97.527","0.001","90","","3295.6","0.4","220","2","220","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C20 H14.6667 N1.33333 O2.66667 Pd1.33333 -","- C120 H88 N8 O16 Pd8 -","6","1.5","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0514","0.0301","","","0.074","0.0793","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508003","11.4138","0.0019","16.7","0.003","17.58","0.003","90","","97.639","0.003","90","","3321.2","1","250","2","250","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C15 H11 N O2 Pd -","- C120 H88 N8 O16 Pd8 -","8","2","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0644","0.0352","","","0.0846","0.0915","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508145","14.6299","0.0007","22.0132","0.0009","17.1801","0.0012","90","","90.557","0.004","90","","5532.6","0.5","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","OP8Br","","","- C64 H64 Br2 O16 -","- C64 H64 Br2 O16 -","- C256 H256 Br8 O64 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","0.71073","MoKα","","0.0483","0.0427","","","0.1167","0.1226","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508146","26.465","0.0005","13.3084","0.0002","20.9193","0.0004","90","","116.126","0.0007","90","","6615.1","0.2","200","","200","","","","","","","","","4","C 1 2 1","C 2y","5","OP8NO2","","","- C71 H74.5 N5.5 O20 -","- C71 H74.5 N5.5 O20 -","- C284 H298 N22 O80 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","1.54187","CuKα","","0.0653","0.0486","","","0.124","0.1424","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508147","12.6264","0.0001","22.3733","0.0002","25.1262","0.0003","90","","102.392","0.0005","90","","6932.65","0.12","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","OP8NO2+[SbF6-]","","","- C69 H71.5 F6 N4.5 O20 Sb -","- C69 H71.5 F6 N4.5 O20 Sb -","- C276 H286 F24 N18 O80 Sb4 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","0.71073","MoKα","","0.0986","0.061","","","0.1592","0.178","","","","","","1.032","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508152","28.6387","0.0012","14.9963","0.0008","19.6011","0.0007","90","","125.48","0.001","90","","6855.1","0.5","173.1","","173.1","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23.75 H44.5 Cl4.5 Mo N P2 -","- C23.7525 H43 Cl4.505 Mo N P2 -","- C190.02 H344 Cl36.04 Mo8 N8 P16 -","8","2","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0407","","","","0.095","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508153","36.3354","0.0007","36.3354","0.0007","24.3428","0.0004","90","","90","","120","","27833.1","0.9","173.1","","173.1","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C52 H100 Mo2 N12 P4 -","- C52 H86 Mo2 N12 P4 -","- C936 H1548 Mo36 N216 P72 -","18","0.5","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0366","","","","0.0933","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508154","36.1127","0.0007","36.1127","0.0007","24.6029","0.0005","90","","90","","120","","27786.7","0.9","173.1","","173.1","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C56 H100 Mo2 N4 O4 P4 -","- C56 H100 Mo2 N4 O4 P4 -","- C1008 H1800 Mo36 N72 O72 P72 -","18","0.5","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0368","","","","0.1039","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508155","34.4412","0.0013","11.1522","0.0003","20.6925","0.0007","90","","111.63","0.0011","90","","7388.2","0.4","173.1","","173.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H53 B F5 Mo N4 P2 -","- C31 H50 B F5 Mo N4 P2 -","- C248 H400 B8 F40 Mo8 N32 P16 -","8","1","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0434","","","","0.1067","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508157","9.5083","0.0008","9.6863","0.0008","10.9481","0.0009","68.563","0.001","85.847","0.001","84.917","0.001","934","0.13","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","2,5-dihexyloxy-4-bromobenzaldehyde","","- C19 H29 Br O3 -","- C19 H29 Br O3 -","- C38 H58 Br2 O6 -","2","1","","Bolton, Onas; Lee, Kangwon; Kim, Hyong-Jun; Lin, Kevin Y.; Kim, Jinsang","Activating efficient phosphorescence from purely organic materials by crystal design.","Nature chemistry","2011","3","3","205","210","10.1038/nchem.984","","","0.71073","MoKα","","0.0241","0.0225","","","0.0606","0.0615","","","","","","1.101","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508159","6.8032","0.001","8.117","0.003","9.659","0.003","108.27","0.03","106.91","0.03","96.94","0.02","471.2","0.3","108","2","108","2","","","","","","","","4","P -1","-P 1","2","","2,5-dihexyloxy-1,4-dibromobenzene","","- C18 H28 Br2 O2 -","- C18 H28 Br2 O2 -","- C18 H28 Br2 O2 -","1","0.5","","Bolton, Onas; Lee, Kangwon; Kim, Hyong-Jun; Lin, Kevin Y.; Kim, Jinsang","Activating efficient phosphorescence from purely organic materials by crystal design.","Nature chemistry","2011","3","3","205","210","10.1038/nchem.984","","","0.71073","MoKα","","0.0213","0.019","","","0.0497","0.0506","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508363","15.525","0.0014","22.703","0.002","31.993","0.003","90","","90","","90","","11276.4","1.8","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C94 H88 N24 Ni6 O19 S2 -","- C94 H76 N24 Ni6 O19 S2 -","- C376 H304 N96 Ni24 O76 S8 -","4","0.5","","Zheng, Xiao-Feng; Zhu, Long-Guan","An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O","Crystals","2011","1","3","120","127","10.3390/cryst1030120","","","0.71073","MoKα","","0.1514","0.074","","","0.2034","0.26","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508364","7.3326","0.0005","19.4897","0.0014","8.6586","0.0006","90","","106.069","0.002","90","","1189.06","0.14","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7,7-dimethyl-2-pyridin-4-yl-6,7-dihydro[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine","","- C11 H13 N7 -","- C11 H13 N7 -","- C44 H52 N28 -","4","1","","Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung","Molecular and Crystal Structure of 7,7-Dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine [1]","Crystals","2011","1","3","136","144","10.3390/cryst1030136","","x-ray","0.71073","MoKα","","0.0582","0.0476","","","0.1188","0.1255","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508365","5.0655","0.0006","8.4614","0.0008","46.856","0.005","90","","90","","90","","2008.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Alfonso, Ignacio; Bolte, Michael; Burguete, M. Isabel; Luis, Santiago V.","Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern","Crystals","2011","1","3","163","170","10.3390/cryst1030163","","","0.71073","MoKα","","0.091","0.0416","","","0.0603","0.0697","","","","","","0.73","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508366","9.9349","0.0008","6.3377","0.0005","10.5783","0.001","90","","97.752","0.003","90","","659.97","0.1","180","1","180","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C30 H24 N4 O4 S2 -","2","1","","Saeed, Aamer; ul Mahmood, Shams; Ishida, H.","Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one","Crystals","2011","1","3","171","177","10.3390/cryst1030171","","","0.71075","MoKα","","0.0271","0.0266","","","0.0702","0.0704","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508367","4.8499","0.0011","12.037","0.003","12.804","0.002","64.561","0.015","86.815","0.017","83.893","0.017","671.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 I2 O8 -","- C24 H32 I2 O8 -","- C24 H32 I2 O8 -","1","0.5","","Walbaum, Christine; Pantenburg, Ingo; Meyer, Gerd","Iodine Molecules Included in the Structure of Dibenzo-24-Crown-8, (I2)@(db24c8)","Crystals","2011","1","4","215","219","10.3390/cryst1040215","","","0.71073","MoKα","","0.0804","0.0301","","","0.0625","0.0751","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508369","20.941","0.0011","8.7523","0.0005","21.2291","0.0009","90","","93.529","0.003","90","","3883.5","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C176 H184 N8 O40 -","8","2","","Petrov, Anna; Jones, Roderick C.; Vaughan, Douglas G.; Lough, Alan J.; Gossage, Robert A.","The Crystal and Molecular Structure of (2Z)-2-[3-(4-Methoxybenzoyl)-4,4-dimethyl-1,2-oxazolidin-2-ylidene]-1-(4-methoxyphenyl)ethanone","Crystals","2011","1","4","229","235","10.3390/cryst1040229","","","0.71073","MoKα","","0.1167","0.0727","","","0.1872","0.2117","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508370","31.075","0.002","31.075","0.002","6.1875","0.0004","90","","90","","120","","5174.5","0.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C5 H19.47 N2 O5.24 P -","- C5 H19.46 N2 O5.23 P -","- C90 H350.28 N36 O94.14 P18 -","18","1","","Harrison, William T. A.","Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O","Crystals","2011","1","4","236","243","10.3390/cryst1040236","","","0.71073","MoKα","","0.0835","0.0444","","","0.097","0.1072","","","","","","0.928","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508371","8.564","0.005","9.593","0.006","11.607","0.006","90","","90","","90","","953.6","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H17 N2 O4 P -","- C5 H17 N2 O4 P -","- C20 H68 N8 O16 P4 -","4","1","","Harrison, William T. A.","Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2 HPO3 H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2 HPO3 2 23H2O","Crystals","2011","1","4","236","243","10.3390/cryst1040236","","","0.71073","MoKα","","0.1598","0.0657","","","0.065","0.0811","","","","","","0.785","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508372","22.43","0.004","8.1478","0.0016","13.522","0.003","90","","90","","90","","2471.2","0.9","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H9 F N2 O S -","- C14 H9 F N2 O S -","- C112 H72 F8 N16 O8 S8 -","8","2","","Saeed, Aamer; Flörke, Ulrich","Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one","Crystals","2011","1","4","254","259","10.3390/cryst1040254","","","0.71073","MoKα","","0.1001","0.0649","","","0.1439","0.1638","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509135","13.2994","0.0018","10.3952","0.0016","14.194","0.002","90","","105.149","0.017","90","","1894.13","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 -","- C28 H38 -","- C112 H152 -","4","1","","Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A.","Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.","Nature","2011","477","7364","308","311","10.1038/nature10367","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509136","10.1195","0.0012","16.183","0.002","12.5912","0.0016","90","","109.271","0.014","90","","1946.45","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 -","- C28 H38 -","- C112 H152 -","4","1","","Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A.","Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.","Nature","2011","477","7364","308","311","10.1038/nature10367","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509137","7.7202","0.0011","11.3237","0.0016","13.3783","0.0018","111.818","0.015","91.43","0.017","95.982","0.017","1077.29","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- C32 H42 -","- C32 H42 -","- C64 H84 -","2","1","","Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A.","Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.","Nature","2011","477","7364","308","311","10.1038/nature10367","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509140","8.0816","0.0005","8.2729","0.0005","12.4711","0.0008","94.457","0.001","99.007","0.001","111.19","0.001","759.63","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Cl2 Cu N12 O8 -","- C20 H36 Cl2 Cu N12 O8 -","- C20 H36 Cl2 Cu N12 O8 -","1","0.5","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71073","MoKα","","0.04","0.0378","","","0.1154","0.1173","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509141","8.841","0.005","8.667","0.005","16.086","0.005","90","","110","0.02","90","","1158.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N12 Ni O2 -","- C18 H30 N12 Ni O2 -","- C36 H60 N24 Ni2 O4 -","2","0.5","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71069","MoKα","","0.0323","0.029","","","0.0788","0.081","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509142","9.1952","0.0006","10.0364","0.0006","13.0833","0.0008","78.24","0.001","75.027","0.001","77.782","0.001","1125.69","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N12 Ni O2 -","- C18 H30 N12 Ni O2 -","- C36 H60 N24 Ni2 O4 -","2","1","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71073","MoKα","","0.0375","0.034","","","0.0816","0.0837","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509143","14.9583","0.0009","19.8392","0.0012","14.5068","0.0009","90","","107.401","0.001","90","","4108","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cl Cu N8 O5.5 -","- C12 H25 Cl Cu N8 O5.5 -","- C96 H200 Cl8 Cu8 N64 O44 -","8","2","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71073","MoKα","","0.0839","0.0695","","","0.1706","0.1801","","","","","","1.15","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509144","9.018","0.005","12.357","0.005","13.105","0.005","68.762","0.005","88.86","0.005","88.401","0.005","1360.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cl2 N14 O8 Zn2 -","- C16 H28 Cl2 N14 O8 Zn2 -","- C32 H56 Cl4 N28 O16 Zn4 -","2","1","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71069","MoKα","","0.1692","0.0936","","","0.1967","0.238","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509255","9.5296","0.0015","22.753","0.004","20.084","0.003","90","","111.229","0.004","90","","4059.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 Co N2 O6 -","- C49 H36 Co N2 O6 -","- C196 H144 Co4 N8 O24 -","4","1","","Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós; Michael P. Sigalas; Maria Lalia-Kantouri","Synthesis, Characterization, Thermal and Theoretical Studies of Cobalt(II) Addition Compounds with 2-Hydroxy-phenones and α-Diimines. Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)2(bipy)] -2-hydoxy-benzophenoneH (3) and [Co(2-hydroxy-benzophenone)2(phen)] (8)","Polyhedron","2011","30","","486","496","10.1016/j.poly.2010.11.010","","","0.71073","MoKα","","0.0993","0.0632","","","0.1297","0.1434","","","","","","1.061","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1509256","11.602","0.001","17.185","0.002","16.951","0.002","90","","92.18","0.01","90","","3377.3","0.6","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Co N2 O4 -","- C38 H26 Co N2 O4 -","- C152 H104 Co4 N8 O16 -","4","1","","Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós; Michael P. Sigalas; Maria Lalia-Kantouri","Synthesis, Characterization, Thermal and Theoretical Studies of Cobalt(II) Addition Compounds with 2-Hydroxy-phenones and α-Diimines. Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)2(bipy)] -2-hydoxy-benzophenoneH (3) and [Co(2-hydroxy-benzophenone)2(phen)] (8)","Polyhedron","2011","30","","486","496","10.1016/j.poly.2010.11.010","","","0.71073","MoKα","","0.0595","0.0549","","0.0758","0.0586","0.0602","","","","","","1.041","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509257","23.686","0.006","11.464","0.003","13.894","0.003","90","","109.884","0.004","90","","3547.8","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N14 O6 Zn -","- C36 H36 N14 O6 Zn -","- C144 H144 N56 O24 Zn4 -","4","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","One-dimensional zinc(II) polymers with 4,6-dimethyl-1,2,3-triazolo[4,5-d] pyrimidin-5,7-dionato built by bipyridyl-based ligands acting as spacers both in the first and in the second sphere","Inorganica Chimica Acta","2011","365","","371","376","10.1016/j.ica.2010.09.048","","","0.71073","MoKα","","0.1191","0.0991","","","0.2436","0.2527","","","","","","1.565","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1509258","20.684","0.006","16.797","0.005","16.731","0.005","90","","115.511","0.005","90","","5246","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N12 O4 Zn -","- C24 H24 N12 O4 Zn -","- C192 H192 N96 O32 Zn8 -","8","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","One-dimensional zinc(II) polymers with 4,6-dimethyl-1,2,3-triazolo[4,5-d] pyrimidin-5,7-dionato built by bipyridyl-based ligands acting as spacers both in the first and in the second sphere","Inorganica Chimica Acta","2011","365","","371","376","10.1016/j.ica.2010.09.048","","","0.71073","MoKα","","0.0765","0.0516","","","0.1076","0.1165","","","","","","1.017","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1512120","3.994","","3.994","","4.008","","90","","90","","90","","63.936","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","BST","Barium Strontium Titanate","","- Ba0.9 O3 Sr0.1 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.125","","Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512121","3.989","","3.989","","3.995","","90","","90","","90","","63.569","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Barium strontium titanate","","- Ba0.8 O3 Sr0.2 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.125","","Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512122","3.982","","3.982","","3.983","","90","","90","","90","","63.156","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Barium strontium titanate","","- Ba0.7 O3 Sr0.3 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.125","","Natheer, B. Mahmood; Emad, K. Al-Shakarchi; Brahim, Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512123","3.956","","3.956","","3.956","","90","","90","","90","","61.911","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Barium Strontium Titanate","","- Ba0.5 O3 Sr0.5 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.0208333","","Natheer, B. Mahmood; Emad, K. Al-Shakarchi; Brahim, Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512124","3.899","","3.899","","3.899","","90","","90","","90","","59.273","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","strontium titanate","","- O3 Sr Ti -","- O3 Sr Ti -","- O3 Sr Ti -","1","0.0208333","","Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512125","3.969","","3.969","","3.969","","90","","90","","90","","62.524","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Barium strontium titanate","","- Ba0.6 O3 Sr0.4 Ti -","- Ba O3 Sr Ti -","- Ba O3 Sr Ti -","1","0.0208333","","Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi","Three Techniques Used to Produce BaTiO3 Fine Powder","Journal of Modern Physics","2011","2","","1420","1428","10.4236/jmp.2011.211175","","","","","","","","","","","","","","","","","","","","","has coordinates","267939","2021-08-04","12:05:23",""
"1512984","7.375","0.003","8.391","0.003","9.373","0.003","93.882","0.006","107.122","0.005","103.957","0.006","531.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","1","0.5","","Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh","Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons","Journal of Molecular Structure","2011","985","2--3","361","370","10.1016/j.molstruc.2010.11.022","","","0.71073","MoKα","","0.1193","0.0805","","","0.1852","0.2017","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512985","16.026","0.004","7.019","0.002","16.492","0.005","90","","96.453","0.005","90","","1843.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N2 O7 -","- C19 H21 N2 O7 -","- C76 H84 N8 O28 -","4","1","","Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh","Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons","Journal of Molecular Structure","2011","985","2--3","361","370","10.1016/j.molstruc.2010.11.022","","","0.71073","MoKα","","0.11","0.0808","","","0.1748","0.1898","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512986","4.1521","0.0014","20.659","0.007","15.696","0.005","90","","95.218","0.007","90","","1340.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N8 O10 -","- C24 H26 N8 O10 -","- C48 H52 N16 O20 -","2","0.5","","Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh","Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons","Journal of Molecular Structure","2011","985","2--3","361","370","10.1016/j.molstruc.2010.11.022","","","0.71073","MoKα","","0.1198","0.0776","","","0.1415","0.1596","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512987","7.4847","0.0012","11.6703","0.0018","12.2231","0.0019","112.355","0.002","100.143","0.003","97.136","0.003","950.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N6 O5 -","- C19 H20 N6 O5 -","- C38 H40 N12 O10 -","2","1","","Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh","Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons","Journal of Molecular Structure","2011","985","2--3","361","370","10.1016/j.molstruc.2010.11.022","","","0.71073","MoKα","","0.0869","0.0692","","","0.149","0.1576","","","","","","1.199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512988","8.628","0.009","11.743","0.012","19.817","0.018","90","","90","","90","","2008","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cd N3 O9.5 S -","- C13 H13 Cd N3 O9.5 S -","- C52 H52 Cd4 N12 O38 S4 -","4","1","","Amal Cherian Kathalikkattil; P.S. Subramanian; Eringathodi Suresh","Structural diversity in two dimensional chiral coordination polymers involving 4,4'bipyridine and l-cysteate as bridging ligands with Zn and Cd metal centres: Synthesis, characterization and X-ray crystallographic studies","Inorganica Chimica Acta","2011","365","1","363","370","10.1016/j.ica.2010.09.049","","","0.71073","MoKα","","0.1066","0.0611","","","0.1082","0.125","","","","","","0.909","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1512989","7.5389","0.0012","10.1054","0.0016","13.185","0.002","69.441","0.002","81.181","0.003","69.029","0.002","877.8","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N6 O15 S2 Zn2 -","- C26 H36 N6 O15 S2 Zn2 -","- C26 H36 N6 O15 S2 Zn2 -","1","1","","Amal Cherian Kathalikkattil; P.S. Subramanian; Eringathodi Suresh","Structural diversity in two dimensional chiral coordination polymers involving 4,4'bipyridine and l-cysteate as bridging ligands with Zn and Cd metal centres: Synthesis, characterization and X-ray crystallographic studies","Inorganica Chimica Acta","2011","365","1","363","370","10.1016/j.ica.2010.09.049","","","0.71073","MoKα","","0.0297","0.0289","","","0.0748","0.0765","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513033","22.541","0.015","7.805","0.005","3.786","0.002","90","","92.533","0.019","90","","665.4","0.7","198","2","198","2","","","","","","","","5","C 1 2 1","C 2y","5","Ag(I)-complex of 3-pyridin aldehyde","","","- C12 H10 Ag N3 O5 -","- C12 H10 Ag N3 O5 -","- C24 H20 Ag2 N6 O10 -","2","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Ag^I^ and Zn^II^ complexes with possible application as NLO materials ‒ Crystal structures and properties","Polyhedron","2011","30","2","241","245","10.1016/j.poly.2010.10.008","","","0.71073","MoKα","","0.0772","0.0629","","","0.1348","0.1417","","","","","","0.869","","","","has coordinates","218750","2020-10-21","18:00:00",""
"1513034","5.8478","0.0016","19.156","0.006","12.328","0.004","90","","90","","90","","1381","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Zn(II)-complex of 3-pyridin aldehyde","","","- C12 H10 Cl2 N2 O2 Zn -","- C12 H10 Cl2 N2 O2 Zn -","- C48 H40 Cl8 N8 O8 Zn4 -","4","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Ag^I^ and Zn^II^ complexes with possible application as NLO materials ‒ Crystal structures and properties","Polyhedron","2011","30","2","241","245","10.1016/j.poly.2010.10.008","","","0.71073","MoKα","","0.0402","0.0301","","","0.0668","0.07","","","","","","1.129","","","","has coordinates","218750","2020-10-21","18:00:00",""
"1513035","12.817","0.002","19.633","0.003","8.0457","0.0013","90","","95.544","0.005","90","","2015.1","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl4 N10 O4 Zn -","- C10 H16 Cl4 N10 O4 Zn -","- C40 H64 Cl16 N40 O16 Zn4 -","4","1","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.0402","0.0302","","","0.0731","0.0767","","","","","","1.264","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513036","7.024","0.004","13.676","0.007","9.398","0.005","90","","90","","90","","902.8","0.8","293","2","293","2","","","","","","","","5","I m m 2","I 2 -2","44","bis(8-aminoquinolinium) tetrachlorozincate(II)","","","- C15 H13 Cl4 N3 Zn -","- C15 H13 Cl4 N3 Zn -","- C30 H26 Cl8 N6 Zn2 -","2","0.25","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.0575","0.0452","","","0.0866","0.0914","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513037","7.044","0.007","11.936","0.013","9.775","0.011","90","","109.3","0.03","90","","775.7","1.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 N2 O4 -","- C12 H24 Cl2 N2 O4 -","- C24 H48 Cl4 N4 O8 -","2","0.5","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.1643","0.1163","","","0.2307","0.2655","","","","","","0.98","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1513038","22.703","0.003","6.9191","0.0012","18.637","0.003","90","","90","","90","","2927.6","0.8","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H75 Cl16 N8 O8 Zn4 -","- C32 H75 Cl16 N8 O8 Zn4 -","- C64 H150 Cl32 N16 O16 Zn8 -","2","0.5","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.087","0.0811","","","0.2003","0.2058","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513039","8.376","0.003","8.495","0.004","13.243","0.006","99.284","0.016","90.049","0.016","97.645","0.017","921.4","0.7","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl4 N2 O3 Zn -","- C12 H24 Cl4 N2 O3 Zn -","- C24 H48 Cl8 N4 O6 Zn2 -","2","1","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.1072","0.0569","","","0.1143","0.1337","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513040","15.177","0.01","8.099","0.005","16.636","0.01","90","","91.48","0.03","90","","2044","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2,2':6',2''-terpyridinium tetrachlorozincate(II)","","","- C18 H16 Cl4 N2 O2 Zn -","- C18 H16 Cl4 N2 O2 Zn -","- C72 H64 Cl16 N8 O8 Zn4 -","4","0.5","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.0966","0.0777","","","0.1862","0.2008","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513041","6.6353","0.0011","13.732","0.002","14.173","0.002","90","","91","0.005","90","","1291.2","0.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 Cl4 N2 O Zn -","- C6 H15 Cl4 N2 O Zn -","- C24 H60 Cl16 N8 O4 Zn4 -","4","1","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.0463","0.0345","","","0.0833","0.0881","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513063","9.8714","0.0007","15.9402","0.0011","18.5446","0.0013","90","","90","","90","","2918","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 N O -","- C37 H37 N O -","- C148 H148 N4 O4 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Conformation, optical properties, and absolute configuration of 2',3'-Isopropylideneadenosines: theoretical vs. experimental study","Journal of Molecular Structure","2011","1004","","303","","10.1016/j.molstruc.2011.08.027","","","0.71073","MoKα","","0.0563","0.0469","","","0.1245","0.1313","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513096","10.0902","0.0007","11.9848","0.0009","14.7501","0.0011","89.088","0.001","71.984","0.001","88.251","0.001","1695.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 N6 O18 Rh2 -","- C66 H54 N6 O18 Rh2 -","- C66 H54 N6 O18 Rh2 -","1","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Rhodium paddlewheel dimers containing the π···π stacking, 1,8-naphthalimide supramolecular synthon","Inorganica Chimica Acta","2011","378","1","42","48","10.1016/j.ica.2011.08.011","","","0.71073","MoKα","","0.051","0.0384","","","0.0845","0.0879","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513099","11.1223","0.0007","11.8226","0.0007","14.3795","0.0009","101.559","0.001","103.35","0.001","96.669","0.001","1776.07","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H71 N9 O19 Rh2 -","- C79 H71 N9 O19 Rh2 -","- C79 H71 N9 O19 Rh2 -","1","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Rhodium paddlewheel dimers containing the π···π stacking, 1,8-naphthalimide supramolecular synthon","Inorganica Chimica Acta","2011","378","1","42","48","10.1016/j.ica.2011.08.011","","","0.71073","MoKα","","0.0397","0.0341","","","0.0851","0.0885","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513163","6.925","0.002","6.967","0.002","11.48","0.003","83.184","0.008","74.285","0.008","70.771","0.008","503.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 O8 S -","- C7 H6 O8 S -","- C14 H12 O16 S2 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","NPhysical optical properties and crystal structures of organic 5-sulfosalicylates–theoretical and experimental study","Journal of Molecular Structure","2011","1003","","1","9","10.1016/j.molstruc.2011.06.043","","","0.71073","MoKα","","0.0933","0.0842","","","0.2203","0.2337","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513164","7.1585","0.0011","9.3512","0.0015","35.924","0.006","90","","90.216","0.005","90","","2404.8","0.7","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 O13 S2 -","- C21 H21 N3 O13 S2 -","- C84 H84 N12 O52 S8 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","NPhysical optical properties and crystal structures of organic 5-sulfosalicylates–theoretical and experimental study","Journal of Molecular Structure","2011","1003","","1","9","10.1016/j.molstruc.2011.06.043","","","0.71073","MoKα","","0.0592","0.0414","","","0.1215","0.1393","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513165","8.128","0.002","8.591","0.003","9.713","0.003","64.322","0.006","86.766","0.009","81.477","0.009","604.5","0.3","199","2","199","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N2 O7 S -","- C9 H12 N2 O7 S -","- C18 H24 N4 O14 S2 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","NPhysical optical properties and crystal structures of organic 5-sulfosalicylates–theoretical and experimental study","Journal of Molecular Structure","2011","1003","","1","9","10.1016/j.molstruc.2011.06.043","","","0.71073","MoKα","","0.0698","0.0513","","","0.1239","0.1307","","","","","","1.409","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513169","5.229","0.003","10.824","0.007","13.514","0.009","90","","90","","90","","764.9","0.8","206","2","206","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cis-bis(glycinato)Cu(II)","","","- C4 H8 Cu N2 O5 -","- C4 H8 Cu N2 O5 -","- C16 H32 Cu4 N8 O20 -","4","1","","Lamshöft, M.; Ivanova, B.","Review: Protonation and coordination ability of small peptides - theoretical and experimental approaches for elucidation","Journal of Coordination Chemistry","2011","64","14","2419","2442","10.1080/00958972.2011.598926","","","0.71073","MoKα","","0.0993","0.0755","","","0.1779","0.1996","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514049","8.1452","0.0003","8.1452","0.0003","8.1452","0.0003","90","","90","","90","","540.39","0.03","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(IV) Oxide (1.33/1.67/4)","","- Li1.333 Mn1.667 O4 -","- Li1.3334 Mn1.6666 O4 -","- Li10.6672 Mn13.3328 O32 -","8","0.0416667","","Le, My Loan Phung; Strobel, P.; Colin, C. V.; Pagnier, T.; Alloin, F.","Spinel-type solid solutions involving Mn(4+) and Ti(4+): crystal chemistry, magnetic and electrochemical properties","Journal of Physics and Chemistry of Solids","2011","72","","124","135","10.1016/j.jpcs.2010.11.010","","","","","","0.0147","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514051","8.1548","0.0003","8.1548","0.0003","8.1548","0.0003","90","","90","","90","","542.3","0.03","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.264/1.736/4)","","- Li1.264 Mn1.736 O4 -","- Li1.264 Mn1.736 O4 -","- Li10.112 Mn13.888 O32 -","8","0.0416667","","Ivanova, S.; Zhecheva, E.; Nihtianova, D.; Stoyanova, R.","Nano-domain structure of Li4 Mn5 O12 spinel","Journal of Materials Science","2011","46","","7098","7105","10.1007/s10853-011-5409-8","","","","","","0.0264","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514052","8.1643","0.0003","8.1643","0.0003","8.1643","0.0003","90","","90","","90","","544.2","0.03","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.26/1.74/4)","","- Li1.26 Mn1.74 O4 -","- Li1.26 Mn1.74 O4 -","- Li10.08 Mn13.92 O32 -","8","0.0416667","","Ivanova, S.; Zhecheva, E.; Nihtianova, D.; Stoyanova, R.","Nano-domain structure of Li4 Mn5 O12 spinel","Journal of Materials Science","2011","46","","7098","7105","10.1007/s10853-011-5409-8","","","","","","0.0264","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514053","8.1771","0.0003","8.1771","0.0003","8.1771","0.0003","90","","90","","90","","546.76","0.03","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.25/1.75/4)","","- Li1.252 Mn1.748 O4 -","- Li1.252 Mn1.748 O4 -","- Li10.016 Mn13.984 O32 -","8","0.0416667","","Ivanova, S.; Zhecheva, E.; Nihtianova, D.; Stoyanova, R.","Nano-domain structure of Li4 Mn5 O12 spinel","Journal of Materials Science","2011","46","","7098","7105","10.1007/s10853-011-5409-8","","","","","","0.0262","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514063","8.22899","0.00013","8.22899","0.00013","8.22899","0.00013","90","","90","","90","","557.237","0.015","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.07/1.93/4)","","- Li1.07 Mn1.93 O4 -","- Li1.072 Mn1.928 O4 -","- Li8.576 Mn15.424 O32 -","8","0.0416667","","Reddy, M. V.; Silvister Raju, M. J.; Sharma, N.; Quan, P. Y.; Nowshad, S. H.; Emmanuel, H. E. C.; Peterson, V. K.; Chowdari, B. V. R.","Preparation of Li1.03 Mn1.97 O4 and Li1.06 Mn1.94 O4 by the polymer precursor method and X-ray, neutron diffraction and electrochemical study","Journal of the Electrochemical Society","2011","158","11","A1231","A1236","10.1149/2.074111jes","","","","","","0.0477","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514064","8.20717","0.00017","8.20717","0.00017","8.20717","0.00017","90","","90","","90","","552.82","0.02","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.04/1.93/4)","","- Li1.04 Mn1.93 O4 -","- Li1.037 Mn1.926 O4 -","- Li8.296 Mn15.408 O32 -","8","0.0416667","","Reddy, M. V.; Silvister Raju, M. J.; Sharma, N.; Quan, P. Y.; Nowshad, S. H.; Emmanuel, H. E. C.; Peterson, V. K.; Chowdari, B. V. R.","Preparation of Li1.03 Mn1.97 O4 and Li1.06 Mn1.94 O4 by the polymer precursor method and X-ray, neutron diffraction and electrochemical study","Journal of the Electrochemical Society","2011","158","11","A1231","A1236","10.1149/2.074111jes","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514072","8.2404","0.0002","8.2404","0.0002","8.2404","0.0002","90","","90","","90","","559.56","0.02","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Dimanganate","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Mukai, K.; Sugiyama, J.; Kamazawa, K.; Ikedo, Y.; Andreica, D.; Amato, A.","Magnetic properties of the chemically delithiated Li(x) Mn2 O4 with 0.07 <= x <= 1","Journal of Solid State Chemistry","2011","184","","1096","1104","10.1016/j.jssc.2011.03.019","","","","","","0.0306","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514073","8.158","0.0009","8.158","0.0009","8.158","0.0009","90","","90","","90","","542.94","0.1","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.55/2/4) - Major Phase (84%)","","- Li0.55 Mn2 O4 -","- Li0.55 Mn2 O4 -","- Li4.4 Mn16 O32 -","8","0.0416667","","Mukai, K.; Sugiyama, J.; Kamazawa, K.; Ikedo, Y.; Andreica, D.; Amato, A.","Magnetic properties of the chemically delithiated Li(x) Mn2 O4 with 0.07 <= x <= 1","Journal of Solid State Chemistry","2011","184","","1096","1104","10.1016/j.jssc.2011.03.019","","","","","","0.0306","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514074","8.033","0.0006","8.033","0.0006","8.033","0.0006","90","","90","","90","","518.36","0.07","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.1/2/4) - Minor Phase (16%)","","- Li0.1 Mn2 O4 -","- Li0.1 Mn2 O4 -","- Li0.8 Mn16 O32 -","8","0.0416667","","Mukai, K.; Sugiyama, J.; Kamazawa, K.; Ikedo, Y.; Andreica, D.; Amato, A.","Magnetic properties of the chemically delithiated Li(x) Mn2 O4 with 0.07 <= x <= 1","Journal of Solid State Chemistry","2011","184","","1096","1104","10.1016/j.jssc.2011.03.019","","","","","","0.0306","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514075","8.033","0.0004","8.033","0.0004","8.033","0.0004","90","","90","","90","","518.36","0.04","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.07/2/4)","","- Li0.07 Mn2 O4 -","- Li0.07 Mn2 O4 -","- Li0.56 Mn16 O32 -","8","0.0416667","","Mukai, K.; Sugiyama, J.; Kamazawa, K.; Ikedo, Y.; Andreica, D.; Amato, A.","Magnetic properties of the chemically delithiated Li(x) Mn2 O4 with 0.07 <= x <= 1","Journal of Solid State Chemistry","2011","184","","1096","1104","10.1016/j.jssc.2011.03.019","","","","","","0.0306","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1515409","8.724","0.011","13.085","0.015","13.323","0.015","90","","97.447","0.01","90","","1508","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C76 H56 N16 -","4","1","","Sen, Supriti; Mukherjee, Titas; Sarkar, Sandipan; Mukhopadhyay, Subhra Kanti; Chattopadhyay, Pabitra","Development of a highly selective cell-permeable ratiometric fluorescent chemosensor for oxorhenium(V) ion.","The Analyst","2011","136","22","4839","4845","10.1039/c1an15609h","","","0.71073","Mo","","0.0684","0.0539","","","0.1202","0.1258","","","","","","1.183","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515410","20.459","0.011","9.635","0.005","23.657","0.012","90","","111.067","0.006","90","","4352","4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O S -","- C12 H10 N2 O S -","- C192 H160 N32 O16 S16 -","16","4","","Cui, Daoping; Li, Yueqing; Lian, Mingming; Yang, Feng; Meng, Qingwei","Development of a simple and stability-indicating RP-HPLC method for determining olanzapine and related impurities generated in the preparative process.","The Analyst","2011","136","15","3149","3156","10.1039/c1an15155j","","","0.71073","MoKα","","0.1111","0.0632","","","0.1616","0.1982","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515411","9.5922","0.0005","7.2501","0.0004","24.0793","0.0012","90","","95.81","0.002","90","","1665.98","0.15","200","","200","","","","","","","","local","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 -","- C21 H30 -","- C84 H120 -","4","1","","Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.","Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes","Chemical Science","2011","2","2","229","","10.1039/c0sc00500b","","","0.71073","MoKα","","0.1161","0.0485","","0.1134","0.0948","0.1134","","","","","","0.9114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515412","10.5317","0.0002","13.1456","0.0002","13.7434","0.0002","90","","90","","90","","1902.71","0.05","200","","200","","","","","","","","local","2","P b c n","-P 2n 2ab","60","","","","- C24 H34 -","- C24 H34 -","- C96 H136 -","4","0.5","","Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S.","Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes","Chemical Science","2011","2","2","229","","10.1039/c0sc00500b","","","0.71073","MoKα","","0.0563","0.0442","","0.1291","0.1249","0.1291","","","","","","0.9501","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515413","19.546","0.004","17.36","0.004","19.889","0.004","90","","105.63","0.03","90","","6499","3","200","1","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C47 H59 Cl3 N4 O8 Si -","- C47 H59 Cl3 N4 O8 Si -","- C188 H236 Cl12 N16 O32 Si4 -","4","1","","Knowles, Robert R.; Carpenter, Joseph; Blakey, Simon B.; Kayano, Akio; Mangion, Ian K.; Sinz, Christopher J.; Macmillan, David W. C.","Total synthesis of diazonamide A.","Chemical science (Royal Society of Chemistry : 2010)","2011","2011","2","308","311","10.1039/C0SC00577K","","","0.71073","MoKα","","0.1515","0.1136","","","0.2908","0.3174","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515414","21.8777","0.0007","24.4332","0.0008","8.9667","0.0002","90","","90","","90","","4793.1","0.2","120","2","120","2","","","","","","","Stephen Moore","4","P c c n","-P 2ab 2ac","56","","","","- C12 H18 N2 O -","- C12 H18 N2 O -","- C192 H288 N32 O16 -","16","2","","Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A.","Structurally simple lipid bilayer transport agents for chloride and bicarbonate","Chemical Science","2011","2","2","256","","10.1039/c0sc00503g","","","0.71073","MoKα","","0.1841","0.1143","","","0.1725","0.2013","","","","","","1.153","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1515415","29.2158","0.0005","29.2158","0.0005","7.5897","0.0002","90","","90","","90","","6478.3","0.2","120","2","120","2","","","","","","","Calley Haynes","4","I 41/a :2","-I 4ad","88","","","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C224 H304 N48 S16 -","16","1","","Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A.","Structurally simple lipid bilayer transport agents for chloride and bicarbonate","Chemical Science","2011","2","2","256","","10.1039/c0sc00503g","","","0.71073","MoKα","","0.106","0.0815","","","0.1815","0.193","","","","","","1.059","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1515416","10.8887","0.0004","22.7188","0.0008","17.5682","0.0006","90","","95.413","0.001","90","","4326.6","0.3","100","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 N4 O2 Pd -","- C50 H56 N4 O2 Pd -","- C200 H224 N16 O8 Pd4 -","4","1","","Konnick, Michael M.; Decharin, Nattawan; Popp, Brian V.; Stahl, Shannon S.","O2 insertion into a palladium(ii)-hydride bond: Observation of mechanistic crossover between HX-reductive-elimination and hydrogen-atom-abstraction pathways","Chemical Science","2011","2","2","326","","10.1039/c0sc00392a","","","0.71073","MoKα","","0.0386","0.0301","","","0.0756","0.0784","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515417","15.022","0.003","18.047","0.004","20.367","0.004","105.35","0.004","111.153","0.004","100.049","0.004","4736.7","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H96 B Cl3 F24 N4 Ni2 -","- C100 H96 B Cl3 F24 N4 Ni2 -","- C200 H192 B2 Cl6 F48 N8 Ni4 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.1157","0.069","","","0.1728","0.1866","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515418","13.729","0.005","17.963","0.006","20.822","0.007","69.525","0.006","73.169","0.006","82.761","0.006","4603","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H96 B Cl3 F24 N4 Ni2 Si -","- C91 H96 B Cl3 F24 N4 Ni2 Si -","- C182 H192 B2 Cl6 F48 N8 Ni4 Si2 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0765","0.0493","","","0.1105","0.123","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515419","12.531","0.0011","17.5339","0.0015","21.5138","0.0018","106.672","0.001","104.999","0.002","91.05","0.002","4352","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H84 B Cl F24 N4 Ni2 O2 -","- C88 H84 B Cl F24 N4 Ni2 O2 -","- C176 H168 B2 Cl2 F48 N8 Ni4 O4 -","2","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0619","0.0464","","","0.1012","0.1064","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515420","20.61","0.003","12.802","0.0015","30.984","0.004","90","","95.837","0.002","90","","8132.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 B F24 N5 Ni -","- C74 H69 B F24 N5 Ni -","- C296 H276 B4 F96 N20 Ni4 -","4","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands","Chemical Science","2011","2","2","321","","10.1039/c0sc00464b","","","0.71073","MoKα","","0.0792","0.0555","","","0.1402","0.1491","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515421","12.378","0.0007","11.7627","0.0007","24.4212","0.0014","90","","92.43","0.001","90","","3552.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22.27 H24.8 Cl0.47 N2 -","- C22.2666 H24.7998 Cl0.4668 N2 -","- C178.133 H198.398 Cl3.7344 N16 -","8","2","","Zhang, Chen; Das, Deepankar; Seidel, Daniel","Azomethine ylide annulations: facile access to polycyclic ring systems","Chemical Science","2011","2","2","233","","10.1039/c0sc00432d","","","0.71073","MoKα","","0.0738","0.0577","","","0.1353","0.1444","","","","","","1.008","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515422","8.9485","0.0005","12.2725","0.0007","17.1292","0.001","90","","93.113","0.001","90","","1878.36","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Zhang, Chen; Das, Deepankar; Seidel, Daniel","Azomethine ylide annulations: facile access to polycyclic ring systems","Chemical Science","2011","2","2","233","","10.1039/c0sc00432d","","","0.71073","MoKα","","0.0505","0.0453","","","0.1115","0.1152","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515423","6.848","0.0014","11.736","0.002","12.384","0.003","65.95","0.03","79.94","0.03","76.84","0.03","881.2","0.4","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 Cl2 N5 O2 Pt -","- C13 H17 Cl2 N5 O2 Pt -","- C26 H34 Cl4 N10 O4 Pt2 -","2","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0224","0.0205","","","0.05","0.0509","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515424","12.588","0.002","18.736","0.003","20.805","0.004","90","","106.39","0.02","90","","4707.4","1.5","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14.33 Cl2 N5 O0.67 Pt -","- C13 H13 Cl2 N5 O0.666667 Pt -","- C156 H156 Cl24 N60 O8 Pt12 -","12","3","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0806","0.0343","","","0.0693","0.0836","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515425","10.669","0.002","10.411","0.002","15.689","0.003","90","","108.89","0.03","90","","1648.8","0.6","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl2 N5 O4 Pt -","- C13 H13 Cl2 N5 O4 Pt -","- C52 H52 Cl8 N20 O16 Pt4 -","4","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","0.71073","MoKα","","0.0201","0.0187","","","0.0479","0.0484","","","","","","1.188","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1515426","9.474","0.0003","7.1809","0.0002","27.9371","0.0008","90","","91.94","0.001","90","","1899.52","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl2 N5 O3 Pt S -","- C13 H19 Cl2 N5 O3 Pt S -","- C52 H76 Cl8 N20 O12 Pt4 S4 -","4","1","","Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong","Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility","Chemical Science","2011","2","2","216","","10.1039/c0sc00479k","","","1.54178","CuKα","","0.0483","0.0463","","","0.1183","0.12","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515427","14.7922","0.0003","17.7744","0.0004","18.0925","0.0004","90","","98.265","0.001","90","","4707.52","0.18","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H65 F3 Si2 -","- C57 H65 F3 Si2 -","- C228 H260 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.1048","0.0812","","","0.2001","0.225","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515428","9.0009","0.0002","12.9917","0.0003","33.9922","0.001","90","","96.2183","0.0011","90","","3951.56","0.17","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C180 H212 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","0.71073","MoKα","","0.1525","0.0587","","","0.1219","0.155","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515429","7.3935","0.0002","7.7475","0.0002","17.3713","0.0004","96.23","0.001","100.619","0.001","94.648","0.001","967.02","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H53 N O2 Si2 -","- C44 H53 N O2 Si2 -","- C44 H53 N O2 Si2 -","1","0.5","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.0826","0.0736","","","0.19","0.1962","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515430","7.7521","0.0002","15.8341","0.0004","17.6273","0.0005","70.941","0.001","80.257","0.001","81.988","0.001","2007.37","0.09","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C90 H106 F6 Si4 -","2","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.0781","0.0675","","","0.1606","0.1684","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515431","13.6256","0.0004","28.5329","0.0007","10.5392","0.0003","90","","101.974","0.001","90","","4008.26","0.19","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F3 Si2 -","- C45 H53 F3 Si2 -","- C180 H212 F12 Si8 -","4","1","","Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E.","A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells","Chemical Science","2011","2","2","363","","10.1039/c0sc00433b","","","1.54178","CuKα","","0.1192","0.0878","","","0.2056","0.2273","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515432","9.536","0.0015","10.7745","0.0017","21.214","0.003","87.903","0.002","87.712","0.003","88.606","0.002","2175.9","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(Bob)Ti(O2C12H4Me4) . 0.5 C6H14","(2,2'-Biphenylbis(4-p-tolyl-2,4-butanedionato))- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) hemihexane solvate","","- C53 H51 O6 Ti -","- C53 H51 O6 Ti -","- C106 H102 O12 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.7749","synchrotron","","0.0677","0.04","","","0.0927","0.1056","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515433","12.0648","0.0005","12.6467","0.0005","14.4497","0.0014","109.368","0.0014","96.4954","0.0015","106.998","0.0017","1934.4","0.2","99","2","99","2","","","","","","","","7","P -1","-P 1","2","(Hob)Ti(O2C12H4Me4) . CDCl3","(2'-(4-p-tolyl-2,4-butanedionato)-biphenyl-2-N-methylacetohydroxamato)- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) deuteriochloroform solvate","","- C43 H39 Cl3 D N O6 Ti -","- C43 H40 Cl3 N O6 Ti -","- C86 H80 Cl6 N2 O12 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0473","0.0374","","","0.0932","0.0993","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515434","11.2931","0.0004","13.344","0.0005","15.1141","0.0006","96.792","0.002","102.423","0.002","93.434","0.003","2200.11","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Hob)Ti(O2C12H4[NO2]4) . 2 CHCl3","(2'-(4-p-tolyl-2,4-butanedionato)-biphenyl-2-N-methylacetohydroxamato)- (3,3',5,5'-tetranitrobiphenyl-2,2'-diolato)titanium(IV) dichloroform solvate","","- C40 H29 Cl6 N5 O14 Ti -","- C40 H29 Cl6 N5 O14 Ti -","- C80 H58 Cl12 N10 O28 Ti2 -","2","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0746","0.0449","","","0.102","0.115","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515435","12.3148","0.0013","13.2234","0.0014","20.372","0.002","90","","94.795","0.0016","90","","3305.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Hox)Ti(O2C12H4Me4) . CD2Cl2","(2,2'-Biphenylbis(N-methylacetohydroxamato))- (3,3',5,5'-tetramethylbiphenyl-2,2'-diolato)titanium(IV) deuterodichloromethane solvate","","- C35 H34 Cl2 D2 N2 O6 Ti -","- C35 H36 Cl2 N2 O6 Ti -","- C140 H144 Cl8 N8 O24 Ti4 -","4","1","","Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N.","Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides","Chemical Science","2011","2","2","331","","10.1039/c0sc00468e","","","0.71073","MoKα","","0.0392","0.0307","","","0.0792","0.0846","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515436","11.6322","0.0006","5.663","0.0003","13.3325","0.0006","90","","102.479","0.001","90","","857.51","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C42 H36 O4 S2 -","2","1","","Liu, Yu; Ma, Shengming","Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon‒carbon bond cleavage","Chemical Science","2011","2","4","811","","10.1039/c0sc00584c","","","0.71073","MoKα","","0.0322","0.0316","","","0.0831","0.0835","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515437","10.4567","0.0003","14.5947","0.0004","16.071","0.0004","82.184","0.001","80.017","0.001","70.323","0.001","2266.47","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 I O4 S -","- C24 H20.5 I O4 S -","- C96 H82 I4 O16 S4 -","4","2","","Liu, Yu; Ma, Shengming","Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon‒carbon bond cleavage","Chemical Science","2011","2","4","811","","10.1039/c0sc00584c","","","0.71073","MoKα","","0.0298","0.0262","","","0.0667","0.0703","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515438","13.992","0.003","11.424","0.002","18.291","0.004","90","","101.06","0.03","90","","2869.4","1.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(trop2NH)(OOCCF3)] x [THF]","Nickel bis(5-H-dibenzo[a,d]cyclohepten-5-yl)-amine trifluoroacetate","","- C36 H31 F3 N Ni O3 -","- C36 H31 F3 N Ni O3 -","- C144 H124 F12 N4 Ni4 O12 -","4","1","","Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg","Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes","Chemical Science","2011","2","4","723","","10.1039/c0sc00483a","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.0957","0.101","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515439","11.413","0.0011","12.0679","0.0011","14.4208","0.0013","98.677","0.002","95.682","0.002","114.432","0.002","1758.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nickel bis(5-H-dibenzo(a,d)cyclohepten-5-yl)-amine triphenylphosphane","Nickel bis(5-H-dibenzo[a,d]cyclohepten-5-yl)-amine triphenylphosphane","","- C48 H38 N Ni P -","- C48 H38 N Ni P -","- C96 H76 N2 Ni2 P2 -","2","1","","Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg","Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes","Chemical Science","2011","2","4","723","","10.1039/c0sc00483a","","x-ray","0.71073","MoKα","","0.053","0.0434","","","0.1099","0.1157","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515440","13.4561","0.0003","7.103","0.0002","13.8346","0.0004","90","","109.73","0.03","90","","1244.7","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4-chlorophenyl-4'-nitrophenyl disulfide","4-chlorophenyl-4'-nitrophenyl disulfide","","- C12 H8 Cl N O2 S2 -","- C12 H8 Cl N O2 S2 -","- C48 H32 Cl4 N4 O8 S8 -","4","1","","Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.","Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis","Chemical Science","2011","2","4","696","","10.1039/c0sc00533a","","","0.71073","MoKα","","0.048","0.0348","","","0.0898","0.0955","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515441","7.6164","0.0002","5.7256","0.0002","14.7508","0.0005","90","","94.881","0.002","90","","640.93","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(4-methylphenyl)disulfide","bis(4-methylphenyl)disulfide","","- C14 H14 S2 -","- C14 H14 S2 -","- C28 H28 S4 -","2","1","","Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M.","Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis","Chemical Science","2011","2","4","696","","10.1039/c0sc00533a","","","0.71073","MoKα","","0.0503","0.038","","","0.0833","0.0901","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515442","35.2292","0.0014","20.7057","0.0007","34.2007","0.001","90","","104.74","0.002","90","","24126.5","1.5","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C254 H114 F24 Fe4 N34 O32 S16 -","- C148 H114 Fe4 N26 -","- C592 H456 Fe16 N104 -","4","1","","Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.","Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior","Chemical Science","2011","2","4","638","","10.1039/c0sc00495b","","","0.71073","MoKα","","0.1441","0.1134","","","0.2964","0.3177","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515443","26.876","0.005","38.443","0.008","22.391","0.005","90","","94.44","0.03","90","","23065","8","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C169 H123 F45 Fe4 N36 O31 S10 -","- C159 H123 F15 Fe4 N31 O11 S5 -","- C636 H492 F60 Fe16 N124 O44 S20 -","4","1","","Hristova, Yana R.; Smulders, Maarten M. J.; Clegg, Jack K.; Breiner, Boris; Nitschke, Jonathan R.","Selective anion binding by a “Chameleon” capsule with a dynamically reconfigurable exterior","Chemical Science","2011","2","4","638","","10.1039/c0sc00495b","","","0.71073","MoKα","","0.1465","0.1069","","","0.2794","0.3103","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515444","12.4376","0.0004","6.2473","0.0002","14.2135","0.0005","90","","93.459","0.002","90","","1102.4","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","HF111A9B9","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0628","0.0457","","","0.0889","0.0975","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515445","13.0268","0.0005","6.8021","0.0003","12.7876","0.0006","90","","105.286","0.003","90","","1093.02","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","HF126A14cris","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0701","0.0419","","","0.0868","0.1002","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515446","16.985","0.003","5.1183","0.0009","12.565","0.002","90","","103.577","0.003","90","","1061.8","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","HF176A10B15","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0541","0.0398","","","0.0954","0.1041","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515447","7.3695","0.0005","47.261","0.003","11.0525","0.0006","90","","90.47","0.004","90","","3849.3","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 N O3 Si -","- C18 H31 N O3 Si -","- C144 H248 N8 O24 Si8 -","8","2","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.1441","0.0846","","","0.159","0.1836","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515448","7.7628","0.0009","11.1348","0.0013","32.262","0.004","90","","90","","90","","2788.6","0.6","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.0582","0.0423","","","0.109","0.128","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515449","11.93","0.002","8.5702","0.0015","30.278","0.005","90","","90","","90","","3095.7","0.9","100","2","100","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.1036","0.0644","","","0.1515","0.1788","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515450","8.2299","0.0002","9.6964","0.0002","23.9162","0.0006","90","","90","","90","","1908.52","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","FL008t17cris","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0623","0.0428","","","0.0887","0.0979","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515451","8.2075","0.0003","9.8258","0.0004","24.0803","0.0007","90","","90","","90","","1941.96","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","HF250a784","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0701","0.0514","","","0.1023","0.111","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515452","17.027","0.003","9.5242","0.0019","18.442","0.004","90","","104.05","0.03","90","","2901.2","1.1","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 Cu N4 O4 S2 -","- C30 H20 Br2 Cu N4 O4 S2 -","- C120 H80 Br8 Cu4 N16 O16 S8 -","4","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.1035","0.0497","","","0.1119","0.1182","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515453","7.5438","0.0008","9.0878","0.0009","11.3719","0.0012","85.485","0.006","78.375","0.006","69.76","0.005","716.44","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Hdapp","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71069","MoKα","","0.0676","0.0459","","","0.1173","0.1281","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515454","12.965","0.0017","14.378","0.0018","12.9795","0.0016","90","","90.445","0.008","90","","2419.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hzapp","","","- C12.5 H15 N2 O3 -","- C12.5 H15 N2 O3 -","- C100 H120 N16 O24 -","8","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0809","0.043","","","0.0952","0.1124","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515455","12.997","0.0012","15.328","0.0017","9.0063","0.0008","90","","110.181","0.004","90","","1684.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cudapp2","","","- C30 H32 Cl6 Cu N4 O4 -","- C30 H32 Cl6 Cu N4 O4 -","- C60 H64 Cl12 Cu2 N8 O8 -","2","0.5","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0682","0.038","","","0.0854","0.1","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515456","11.368","0.002","11.457","0.002","12.809","0.002","67.679","0.01","76.787","0.011","74.165","0.011","1470","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Hbt6p","","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0581","0.0386","","","0.0864","0.0947","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515457","8.2835","0.0004","13.979","0.0007","10.5581","0.0005","90","","90.255","0.002","90","","1222.56","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","2","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0453","0.0366","","","0.0882","0.0931","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515458","10.3006","0.0012","7.8737","0.001","13.7999","0.0016","90","","93.837","0.004","90","","1116.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0365","0.0332","","","0.086","0.0882","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515459","7.7458","0.0009","16.433","0.002","12.0999","0.0014","90","","103.182","0.004","90","","1499.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cu N4 O6 S2 -","- C28 H34 Cu N4 O6 S2 -","- C56 H68 Cu2 N8 O12 S4 -","2","0.5","","Scott, Lauren E.; Telpoukhovskaia, Maria; Rodríguez-Rodríguez, Cristina; Merkel, Michael; Bowen, Meryn L.; Page, Brent D. G.; Green, David E.; Storr, Tim; Thomas, Fancy; Allen, David D.; Lockman, Paul R.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","N-Aryl-substituted 3-(β-D-glucopyranosyloxy)-2-methyl-4(1H)-pyridinones as agents for Alzheimer's therapy","Chemical Science","2011","2","4","642","","10.1039/c0sc00544d","","","0.71073","MoKα","","0.0434","0.0346","","","0.0934","0.0979","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515460","4.8231","0.0002","8.3044","0.0003","14.264","0.0006","96.566","0.002","97.473","0.002","92.996","0.002","561.44","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","1","0.5","","Iengo, Elisabetta; Pantoş, G. Dan; Sanders, Jeremy K. M.; Orlandi, Michele; Chiorboli, Claudio; Fracasso, Sandro; Scandola, Franco","A fully self-assembled non-symmetric triad for photoinduced charge separation","Chemical Science","2011","2","4","676","","10.1039/c0sc00520g","","","0.71073","MoKα","","0.1532","0.0966","","","0.2574","0.305","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515461","13.381","0.003","14.391","0.003","16.034","0.003","90","","111.16","0.03","90","","2879.4","1.2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 F6 N4 P Pt -","- C27 H31 F6 N4 P Pt -","- C108 H124 F24 N16 P4 Pt4 -","4","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","0.71073","MoKα","","0.0599","0.0372","","","0.0904","0.0994","","","","","","0.736","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515462","8.652","0.002","11.015","0.002","14.031","0.003","90.68","0.03","98.09","0.03","90.57","0.03","1323.7","0.5","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 I3 N4 Pt -","- C23 H23 I3 N4 Pt -","- C46 H46 I6 N8 Pt2 -","2","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","0.71073","MoKα","","0.0595","0.0407","","","0.1022","0.1095","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515463","18.526","0.004","22.046","0.004","23.559","0.005","90","","90","","90","","9622","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H46 F12 N8 P2 Pt2 -","- C47 H46 F12 N8 P2 Pt2 -","- C376 H368 F96 N64 P16 Pt16 -","8","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","1.54178","CuKα","","0.0539","0.0433","","","0.1026","0.1107","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515464","16.7865","0.0017","9.2933","0.0006","36.414","0.005","90","","91.02","0.012","90","","5679.8","1","173","2","173","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C42 H28 -","- C42 H28 -","- C336 H224 -","8","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1435","0.0553","","","0.0946","0.1135","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515465","9.485","0.0008","9.683","0.0009","15.5796","0.0014","79.592","0.008","83.901","0.007","85.662","0.007","1397","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H28 -","- C40 H28 -","- C80 H56 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0573","0.0378","","","0.0823","0.0866","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515466","17.2911","0.001","9.0613","0.0005","18.1015","0.001","90","","94.72","0.006","90","","2826.5","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1703","0.0785","","","0.0949","0.109","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515467","9.1633","0.0008","28.882","0.003","19.778","0.002","90","","101.303","0.01","90","","5132.8","0.9","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 -","- C36 H26 -","- C288 H208 -","8","2","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1884","0.0752","","","0.1445","0.1753","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515468","9.4375","0.0008","9.5683","0.0007","15.5001","0.0012","83.076","0.006","81.063","0.007","85.554","0.007","1370.13","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H27 N -","- C38 H27 N -","- C76 H54 N2 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0488","0.0404","","","0.1066","0.1105","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515469","9.3196","0.0005","9.3671","0.0005","14.8298","0.0008","88.746","0.004","86.17","0.004","75.274","0.004","1249.27","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 N -","- C35 H25 N -","- C70 H50 N2 -","2","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.0637","0.0453","","","0.1161","0.1247","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515470","11.0629","0.0004","13.661","0.0005","15.0564","0.0006","93.282","0.002","107.469","0.002","106.87","0.002","2050.98","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77.5 H86 Cl10.2 S10 -","- C77.47 H86 Cl10.192 S10 -","- C77.47 H86 Cl10.192 S10 -","1","0.5","","Zhang, Fan; Götz, Günther; Mena-Osteritz, Elena; Weil, Matthias; Sarkar, Biprajit; Kaim, Wolfgang; Bäuerle, Peter","Molecular and electronic structure of cyclo[10]thiophene in various oxidation states: polaron pair vs. bipolaron","Chemical Science","2011","2","4","781","","10.1039/c0sc00560f","","","0.71073","MoKα","","0.1242","0.0775","","","0.1857","0.2188","","","","","","1.032","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515471","25.617","0.004","71.86","0.012","26.909","0.005","90","","92.466","0.004","90","","49489","15","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C468 H298 Cl8 N16 Ni4 S4 -","- C468 H298 Cl8 N16 Ni4 S4 -","- C1872 H1192 Cl32 N64 Ni16 S16 -","4","0.5","","Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro","A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60","Chemical Science","2011","2","4","748","","10.1039/c0sc00605j","","","0.71073","MoKα","","0.178","0.1191","","","0.2915","0.3194","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515472","41.392","0.014","41.392","0.014","22.518","0.007","90","","90","","90","","38580","2","90","2","90","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C264 H288 N16 S4 Zn4 -","- C264 H288 N16 S4 Zn4 -","- C1056 H1152 N64 S16 Zn16 -","4","0.25","","Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro","A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60","Chemical Science","2011","2","4","748","","10.1039/c0sc00605j","","","0.71069","MoKα","","0.2196","0.086","","","0.211","0.2413","","","","","","0.715","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515473","7.7381","0.0004","7.317","0.0004","14.5532","0.0008","90","","91.323","0.002","90","","823.78","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C36 H42 N6 O4 S2 -","2","1","","Albrecht, Łukasz; Albrecht, Anna; Ransborg, Lars Krogager; Jørgensen, Karl Anker","Asymmetric organocatalytic [3 + 2]-annulation strategy for the synthesis of N-fused heteroaromatic compounds","Chemical Science","2011","2","7","1273","","10.1039/c1sc00122a","","x-ray","0.71073","MoKα","","0.0243","0.0239","","","0.0652","0.0656","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515474","7.8404","0.0007","10.9935","0.001","20.087","0.0018","90","","90","","90","","1731.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Yin, Qin; You, Shu-Li","Chiral phosphoric acid-catalysed Friedel‒Crafts alkylation reaction of indoles with racemic spiro indolin-3-ones","Chemical Science","2011","2","7","1344","","10.1039/c1sc00190f","","","0.71073","MoKα","","0.0764","0.0459","","","0.1043","0.1173","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515475","8.4351","0.0009","28.233","0.003","8.7547","0.0009","90","","107.59","0.002","90","","1987.4","0.4","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Hf P -","- C22 H28 Hf P -","- C88 H112 Hf4 P4 -","4","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.0443","0.034","","","0.0819","0.0862","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515476","11.699","0.003","15.37","0.004","45.229","0.011","90","","90","","90","","8133","4","139","2","139","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H69 P5 Pt2 -","- C34 H69 P5 Pt2 -","- C272 H552 P40 Pt16 -","8","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.1243","0.0482","","","0.0799","0.0965","","","","","","0.884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515477","11.8193","0.0005","11.4475","0.0005","19.9444","0.0008","90","","97.77","0.003","90","","2673.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MJC-4-153-M","toste38","","- C30 H25 Cl N2 O4 S -","- C30 H25 Cl N2 O4 S -","- C120 H100 Cl4 N8 O16 S4 -","4","1","","Campbell, Matthew J.; Toste, F. Dean","Enantioselective synthesis of cyclic carbamimidates via a three-component reaction of imines, terminal alkynes, and p-toluenesulfonylisocyanate using a monophosphine gold(I) catalyst().","Chemical science (Royal Society of Chemistry : 2010)","2011","2","7","1369","1378","10.1039/C1SC00160D","","","1.54178","CuKα","","0.0599","0.0467","","","0.1008","0.1061","","","","","","1.096","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1515478","22.6849","0.0012","37.2467","0.0018","45.91","0.003","90","","90","","90","","38791","4","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C120 H196 Dy6 Mn12 N8 O93 -","- C116 H140 Dy6 Mn12 N8 O69 -","- C928 H1120 Dy48 Mn96 N64 O552 -","8","0.25","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.1483","0.0725","","","0.1795","0.2274","","","","","","0.919","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515479","19.7904","0.0005","21.4477","0.0004","26.7375","0.0006","95.344","0.001","97.864","0.001","115.293","0.001","10017.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H212 Dy6 Mn12 N8 O99 -","- C128 H137 Dy6 Mn12 N8 O71 -","- C256 H274 Dy12 Mn24 N16 O142 -","2","1","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.0746","0.0546","","","0.1539","0.1642","","","","","","1.134","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515480","19.8997","0.0009","21.3603","0.0011","26.7219","0.0012","95.001","0.001","97.626","0.001","115.09","0.001","10064.7","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H198 Mn12 N8 O90 Y6 -","- C127 H131 Mn12 N8 O71 Y6 -","- C254 H262 Mn24 N16 O142 Y12 -","2","1","","Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.","Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies","Chemical Science","2011","2","7","1268","","10.1039/c1sc00166c","","","0.71073","MoKα","","0.2029","0.0868","","","0.2224","0.271","","","","","","0.855","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515481","16.022","0.005","10.006","0.002","17.448","0.004","90","","95.44","0.005","90","","2784.6","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N8 O2 -","- C29 H36 N8 O2 -","- C116 H144 N32 O8 -","4","2","","Fuentes, José A.; Lebl, Tomas; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Synthesis of organocatalysts using non-covalent chemistry; understanding the reactivity of ProNap, an enamine-type organocatalyst that can self assemble with complementary co-catalysts","Chemical Science","2011","2","10","1997","","10.1039/c1sc00299f","","","1.54178","CuKα","","0.0727","0.0588","","","0.148","0.1645","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515482","15.45","0.005","11.362","0.005","19.951","0.005","90","0.005","106.933","0.005","90","0.005","3350","2","113","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Co2 Mo O2 S4 -","- C34 H38 Co2 Mo O2 S4 -","- C136 H152 Co8 Mo4 O8 S16 -","4","1","","Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Tsukada, Satoru; Tada, Mizuki; Tsuneyuki, Shinji; Nishihara, Hiroshi","Normal and inverted redox potentials and structural changes tuned by medium effects in [M2Mo(η5-C5Me5)2(S2C6H4)2(CO)2] (M: Co, Rh)","Chemical Science","2011","2","10","1960","","10.1039/c1sc00272d","","","0.71069","MoKα","","","0.0208","","","","0.0506","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515483","8.5511","0.0003","7.0723","0.0003","16.9235","0.0006","90","","93.189","0.003","90","","1021.88","0.07","233","2","233","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","anti-4,5-tetrahydro-2,3;6,7,2,3;6,7-tetrabenzoheptafulvalene","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian","Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives","Chemical Science","2011","2","10","2029","","10.1039/c1sc00340b","","","0.7107","MoKα","","0.045","0.0345","","","0.0884","0.0925","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515484","10.0613","0.0008","15.6693","0.0008","17.3989","0.0012","90","","105.143","0.008","90","","2647.8","0.3","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","syn-2,3;4,5;6,7;2,3;4,5;6,7-hexabenzoheptafulvalene","","- C38 H24 -","- C38 H24 -","- C152 H96 -","4","1","","Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian","Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives","Chemical Science","2011","2","10","2029","","10.1039/c1sc00340b","","","0.7107","MoKα","","0.0793","0.0532","","","0.1163","0.1377","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515485","10.9072","0.0005","5.7181","0.0002","12.633","0.0005","90","","108.259","0.005","90","","748.23","0.06","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 Mn3 O9 -","- C3 H3 Mn3 O9 -","- C12 H12 Mn12 O36 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0674","0.0348","","","0.0648","0.0797","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515486","5.8745","0.0003","7.4316","0.0005","7.9227","0.0005","90","","92.414","0.004","90","","345.57","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H3 Mn O3 -","- C2 H3 Mn O3 -","- C8 H12 Mn4 O12 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0434","0.0302","","","0.0669","0.0707","","","","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515487","8.1023","0.0002","9.3777","0.0003","12.5161","0.0004","90","","103.948","0.002","90","","922.95","0.05","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Mn2 O6 -","- C6 H10 Mn2 O6 -","- C24 H40 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0367","0.0337","","","0.073","0.0755","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515488","8.1123","0.001","9.3629","0.0011","13.462","0.0018","90","","94.88","0.007","90","","1018.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn2 O6 -","- C7 H12 Mn2 O6 -","- C28 H48 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0992","0.0915","","","0.2423","0.252","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515489","5.0589","0.0002","10.5756","0.0006","19.1948","0.0008","79.883","0.003","87.442","0.003","85.762","0.003","1007.68","0.08","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H20 Mn4 O14 -","- C15 H20 Mn4 O14 -","- C30 H40 Mn8 O28 -","2","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0788","0.0667","","","0.158","0.1697","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515490","5.0585","0.0003","12.4647","0.0007","20.8241","0.0009","90.848","0.004","90.047","0.004","90.77","0.005","1312.75","0.12","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H32 Mn4 O14 -","- C21 H32 Mn4 O14 -","- C42 H64 Mn8 O28 -","2","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","1.5418","CuKα","","0.0807","0.0709","","","0.1955","0.2035","","","","","","1.127","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515491","14.215","0.0004","9.7664","0.0003","16.4588","0.0005","90","","90","","90","","2284.96","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H35 Cl2 Cr N4 O10 -","- C15 H35 Cl2 Cr N4 O10 -","- C60 H140 Cl8 Cr4 N16 O40 -","4","0.5","","Cho, Jaeheung; Woo, Jaeyoung; Eun Han, Jung; Kubo, Minoru; Ogura, Takashi; Nam, Wonwoo","Chromium(v)-oxo and chromium(iii)-superoxo complexes bearing a macrocyclic TMC ligand in hydrogen atom abstraction reactions","Chemical Science","2011","2","10","2057","","10.1039/c1sc00386k","","","0.71073","MoKα","","0.0531","0.0486","","","0.2021","0.2095","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515492","19.7916","0.0003","20.7295","0.0003","22.2512","0.0003","90.5711","0.0012","99.966","0.0013","117.623","0.0015","7923.7","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C158 H162 Cl6 N10 O6 Zn2 -","- C158 H162 Cl6 N10 O6 Zn2 -","- C316 H324 Cl12 N20 O12 Zn4 -","2","1","","Langton, Matthew J.; Matichak, Jonathan D.; Thompson, Amber L.; Anderson, Harry L.","Template-directed synthesis of π-conjugated porphyrin [2]rotaxanes and a [4]catenane based on a six-porphyrin nanoring","Chemical Science","2011","2","10","1897","","10.1039/c1sc00358e","","","1.5418","CuKα","","0.1253","0.1145","","0.3572","0.336","0.3572","","","","","","0.9654","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515493","6.6796","0.0004","9.2556","0.0006","31.8029","0.0019","90","","90","","90","","1966.2","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br N O6 -","- C19 H24 Br N O6 -","- C76 H96 Br4 N4 O24 -","4","1","","Bartelson, Keith J.; Singh, Ravi P.; Foxman, Bruce M.; Deng, Li","Catalytic Asymmetric [4 + 2] Additions with Aliphatic Nitroalkenes.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","10","1940","1944","10.1039/c1sc00326g","","","0.71073","MoKα","","0.0884","0.0826","","0.2147","0.2123","0.2147","","","","","","1.0277","","","","has coordinates","288252","2023-12-12","14:26:14",""
"1515494","12.5561","0.0005","12.803","0.0005","16.3869","0.0007","83.594","0.001","83.917","0.001","75.088","0.001","2521.48","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl2 N2 O5 -","- C26 H24 Cl2 N2 O5 -","- C104 H96 Cl8 N8 O20 -","4","2","","Ding, Miao; Zhou, Feng; Liu, Yun-Lin; Wang, Cui-Hong; Zhao, Xiao-Li; Zhou, Jian","Cinchona alkaloid-based phosphoramide catalyzed highly enantioselective Michael addition of unprotected 3-substituted oxindoles to nitroolefins","Chemical Science","2011","2","10","2035","","10.1039/c1sc00390a","","","0.71073","MoKα","","0.0607","0.046","","","0.1168","0.1326","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515495","21.9504","0.0013","8.4448","0.0005","18.7468","0.0011","90","","90","","90","","3475","0.4","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H56 Lu2 N2 -","- C38 H56 Lu2 N2 -","- C152 H224 Lu8 N8 -","4","1","","Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","(C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn","Chemical Science","2011","2","10","1992","","10.1039/c1sc00139f","","","0.71073","MoKα","","0.0173","0.0167","","","0.0405","0.0407","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515496","10.6716","0.0011","10.9978","0.0011","16.7386","0.0017","77.9317","0.0013","77.8776","0.0013","83.5536","0.0013","1873.4","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 N2 Y2 -","- C40 H60 N2 Y2 -","- C80 H120 N4 Y4 -","2","1","","Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","(C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn","Chemical Science","2011","2","10","1992","","10.1039/c1sc00139f","","","0.71073","MoKα","","0.0641","0.0459","","","0.1106","0.1189","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515497","9.217","0.005","11.524","0.004","15.597","0.006","100.75","0.014","105.128","0.017","110.659","0.017","1423.5","1.1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 S4 -","- C34 H28 S4 -","- C68 H56 S8 -","2","1","","Mitamura, Yukihiro; Yorimitsu, Hideki; Oshima, Koichiro; Osuka, Atsuhiro","Straightforward access to aryl-substituted tetrathiafulvalenes by palladium-catalysed direct C‒H arylation and their photophysical and electrochemical properties","Chemical Science","2011","2","10","2017","","10.1039/c1sc00372k","","","0.71075","MoKα","","0.0424","0.0342","","","0.0948","0.0992","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515498","29.1152","0.0008","11.5743","0.0003","15.8437","0.0004","90","","114.799","0.001","90","","4846.8","0.2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 I2 N O4 S -","- C21 H31 I2 N O4 S -","- C168 H248 I16 N8 O32 S8 -","8","1","","Sampath, Magesh; Lee, Pei-Ying Beatrix; Loh, Teck-Peng","Phosphine-catalyzed one-pot isomerization of 3-alkynoates and [2 + 3]-cycloaddition with imines: formal synthesis of Securinega alkaloid (±)-allosecurinine","Chemical Science","2011","2","10","1988","","10.1039/c1sc00311a","","","0.71073","MoKα","","0.0471","0.0314","","","0.072","0.0798","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515499","6.1156","0.0012","21.353","0.004","15.092","0.003","90","","95.378","0.003","90","","1962.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O2 -","- C25 H18 Br N O2 -","- C100 H72 Br4 N4 O8 -","4","1","","Li, Bi-Jie; Shi, Zhang-Jie","Ir-catalyzed highly selective addition of pyridyl C‒H bonds to aldehydes promoted by triethylsilane","Chemical Science","2011","2","3","488","","10.1039/c0sc00419g","","","0.71073","MoKα","","0.0631","0.0565","","","0.1094","0.1126","","","","","","1.198","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515500","7.298","0.0004","12.069","0.0004","16.9434","0.0005","90","","90","","90","","1492.37","0.11","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Khan, Hasan A.; Kou, Kevin G. M.; Dong, Vy M.","Nitrogen-directed ketone hydroacylation: Enantioselective synthesis of benzoxazecinones","Chemical Science","2011","2","3","407","","10.1039/c0sc00469c","","","0.71073","MoKα","","0.0544","0.0363","","","0.0771","0.0842","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515501","10.639","0.005","14.831","0.005","20.681","0.005","90","","96.24","0.015","90","","3244","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B F4 N2 O3 -","- C36 H41 B F4 N2 O3 -","- C144 H164 B4 F16 N8 O12 -","4","1","","Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme","Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions","Chemical Science","2011","2","3","425","","10.1039/c0sc00525h","","","0.7015","synchrotron","","0.0479","0.0388","","0.0624","0.058","0.0624","","","","","","1.1999","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515502","8.641","0.002","12.453","0.003","16.039","0.003","91.073","0.004","92.167","0.01","100.384","0.011","1695.8","0.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 F6 N2 O2 -","- C41 H36 F6 N2 O2 -","- C82 H72 F12 N4 O4 -","2","1","","Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme","Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions","Chemical Science","2011","2","3","425","","10.1039/c0sc00525h","","","0.71073","MoKα","","0.0486","0.0456","","0.08","0.0785","0.08","","","","","","1.1087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515503","10.061","0.01","10.107","0.009","30.25","0.03","94.45","0.03","97.31","0.04","95.24","0.04","3026","5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H74 Cl6 F48 N16 P8 -","- C82 H74 Cl6 F48 N16 P8 -","- C82 H74 Cl6 F48 N16 P8 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.6889","Synchrotron","","0.1182","0.1042","","0.2124","0.1993","0.2124","","","","","","1.0207","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515504","9.8471","0.0002","11.4921","0.0002","12.2245","0.0002","68.0681","0.001","89.3833","0.0009","85.0539","0.0008","1278.13","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 F24 N10 P4 -","- C44 H42 F24 N10 P4 -","- C44 H42 F24 N10 P4 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0717","0.0592","","0.0796","0.0679","0.0679","","","","","","1.1314","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515505","23.7695","0.0004","11.2232","0.0002","24.0588","0.0005","90","","114.59","0.0009","90","","5836.11","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F24 N8 O2 P4 -","- C46 H48 F24 N8 O2 P4 -","- C184 H192 F96 N32 O8 P16 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1201","0.0766","","0.2254","0.1963","0.2254","","","","","","0.9391","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515506","8.2914","0.0002","19.8515","0.0004","16.9016","0.0004","90","","97.5218","0.001","90","","2758.01","0.11","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 F24 N8 O6 P4 -","- C40 H48 F24 N8 O6 P4 -","- C80 H96 F48 N16 O12 P8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0936","0.0745","","0.2086","0.1946","0.2086","","","","","","0.956","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515507","9.5897","0.0001","10.4314","0.0002","32.0723","0.0005","90","","97.2039","0.0007","90","","3182.99","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 F24 N8 O4 P4 -","- C52 H60 F24 N8 O4 P4 -","- C104 H120 F48 N16 O8 P8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0962","0.0622","","0.1538","0.1357","0.1538","","","","","","0.9884","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515508","16.7324","0.0003","20.1029","0.0003","17.8841","0.0003","90","","108.474","0.0007","90","","5705.66","0.17","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 F24 N10 O4 P4 -","- C46 H54 F24 N10 O4 P4 -","- C184 H216 F96 N40 O16 P16 -","4","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1162","0.0742","","0.2248","0.1933","0.2246","","","","","","0.8573","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515509","17.5254","0.0002","12.7345","0.0001","30.6082","0.0004","90","","90.6673","0.0006","90","","6830.59","0.13","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H64 F24 N10 O4 P4 -","- C66 H64 F24 N10 O4 P4 -","- C264 H256 F96 N40 O16 P16 -","4","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0833","0.0502","","0.1591","0.119","0.1591","","","","","","0.8531","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515510","22.9688","0.001","18.0778","0.0006","21.4031","0.0007","90","","90","","90","","8887.1","0.6","150","","150","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C56.15 H47.03 Co1.58 F24 N8 O7.09 P4 -","- C56.154 H47.032 Co1.576 F24 N8 O7.092 P4 -","- C224.616 H188.128 Co6.304 F96 N32 O28.368 P16 -","4","0.25","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1821","0.1542","","0.2606","0.1803","0.1803","","","","","","1.0106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515511","10.192","0.0001","20.0159","0.0003","24.1601","0.0004","90","","90","","90","","4928.71","0.12","150","","150","","","","","","","","","5","P c m b","-P 2bc 2c","57","","","","- C44.4 H54.28 Cl4 N9.47 O5.47 -","- C44.404 H54.276 Cl4 N9.468 O5.468 -","- C177.616 H217.104 Cl16 N37.872 O21.872 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.1013","0.0679","","0.2127","0.1932","0.2127","","","","","","0.9493","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515512","8.0143","0.0001","22.0345","0.0003","13.2696","0.0002","90","","93.0774","0.0005","90","","2339.91","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H52.71 N20.71 O4 -","- C46 H52.71 N20.71 O4 -","- C92 H105.42 N41.42 O8 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.082","0.0553","","0.1487","0.1362","0.1487","","","","","","0.9538","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515513","9.1698","0.0002","16.1629","0.0003","23.2751","0.0005","101.433","0.0008","93.1531","0.0008","105.604","0.0009","3235.03","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C136 H157 N16 O38.5 -","- C136 H157.004 N16 O38.502 -","- C136 H157.004 N16 O38.502 -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0833","0.0532","","0.1551","0.1244","0.1551","","","","","","0.9619","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515514","34.1635","0.0006","12.097","0.0002","12.7837","0.0002","90","","106.831","0.0008","90","","5056.87","0.15","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 Au Cl4 F6 N10 O2 P -","- C46 H50 Au Cl4 F6 N10 O2 P -","- C184 H200 Au4 Cl16 F24 N40 O8 P4 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0508","0.0378","","0.0914","0.0857","0.0914","","","","","","0.9639","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515515","12.9114","0.0003","10.3713","0.0003","12.8078","0.0003","90","","119.78","0.0012","90","","1488.57","0.07","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H12 Co4 O14 -","- C28 H12 Co4 O14 -","- C56 H24 Co8 O28 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0358","0.0277","","0.0702","0.0663","0.0702","","","","","","0.9862","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515516","9.6916","0.0002","13.8803","0.0003","10.966","0.0003","90","","94.153","0.001","90","","1471.3","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 Co4 O14 -","- C28 H12 Co4 O14 -","- C56 H24 Co8 O28 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.","A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly","Chemical Science","2011","2","3","494","","10.1039/c0sc00511h","","","0.71073","MoKα","","0.0278","0.0229","","0.0565","0.054","0.0565","","","","","","0.9888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515517","29.669","0.0003","29.669","0.0003","29.669","0.0003","90","","90","","90","","26116.1","0.5","150","2","150","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C47 H49 Cl10.667 Fe4 N9 O4 -","- C47 H43 Cl10.668 Fe4 N9 O4 -","- C564 H516 Cl128.016 Fe48 N108 O48 -","12","0.25","","Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine","Chemical Science","2011","2","3","540","","10.1039/c0sc00523a","","","0.71073","MoKα","","0.0578","0.0482","","","0.1299","0.1456","","","","","","1.187","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1515518","21.7946","0.0006","21.7946","0.0006","21.7946","0.0006","90","","90","","90","","10352.5","0.5","150","2","150","2","","","","","","","","8","P -4 3 n","P -4n 2 3","218","","","","- C132 H132 Cl4 F36 Fe5 N24 O12 P6 -","- C132 H108 Cl4 F36 Fe5 N24 O12 P6.0004 -","- C264 H216 Cl8 F72 Fe10 N48 O24 P12.0008 -","2","0.0833333","","Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine","Chemical Science","2011","2","3","540","","10.1039/c0sc00523a","","","0.71073","MoKα","","0.0982","0.0598","","","0.1636","0.1783","","","","","","0.987","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1515519","22.054","0.004","22.054","0.004","13.223","0.003","90","","90","","120","","5569.7","1.9","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","anti-5,5'-(1,2-ethenediylidene)bis-5H- dibenzo(a,d)cycloheptene and m-xylene","anti-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene and m-xylene","","- C104 H70 -","- C103.98 H60 -","- C311.94 H180 -","3","0.166667","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.1128","0.0586","","","0.1718","0.2087","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515520","8.0144","0.0005","20.9765","0.0011","12.7099","0.0007","90","","90","","90","","2136.7","0.2","296","2","296","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","syn-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene","","- C32 H20 -","- C32 H20 -","- C128 H80 -","4","0.5","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.0684","0.0485","","","0.1277","0.1474","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515521","13.323","0.002","13.5457","0.0019","18.023","0.004","90","","98.623","0.017","90","","3215.8","1","112","","112","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Au N2 O2 -","- C29 H41 Au N2 O2 -","- C116 H164 Au4 N8 O8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1905","0.0988","","","0.2228","0.2437","","","","","","0.861","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515522","9.9439","0.0005","15.6363","0.0008","16.4516","0.0008","79.47","0.004","83.978","0.004","77.02","0.004","2445.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 Au N2 -","- C27 H29 Au N2 -","- C108 H116 Au4 N8 -","4","2","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1177","0.037","","","0.078","0.1025","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515523","8.327","0.002","29.402","0.004","8.849","0.001","90","","98.648","0.005","90","","2141.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Au N2 -","- C22 H27 Au N2 -","- C88 H108 Au4 N8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1102","0.0612","","","0.1359","0.151","","","","","","0.875","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515524","9.1235","0.0014","7.999","0.002","34.742","0.012","90","","94.181","0.0018","90","","2528.7","1.1","116","","116","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Au I N2 -","- C27 H30 Au I N2 -","- C108 H120 Au4 I4 N8 -","4","1","","Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.","Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation","Chemical Science","2011","2","12","2373","","10.1039/c1sc00428j","","","0.71069","MoKα","","0.1467","0.1069","","","0.2494","0.2665","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515525","16.9075","0.0012","9.8602","0.0007","17.2281","0.0012","90","","113.997","0.002","90","","2623.9","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Au O2 P -","- C29 H32 Au O2 P -","- C116 H128 Au4 O8 P4 -","4","1","","Simonneau, Antoine; Jaroschik, Florian; Lesage, Denis; Karanik, Magdalena; Guillot, Régis; Malacria, Max; Tabet, Jean-Claude; Goddard, Jean-Philippe; Fensterbank, Louis; Gandon, Vincent; Gimbert, Yves","Tracking gold acetylides in gold(i)-catalyzed cycloisomerization reactions of enynes","Chemical Science","2011","2","12","2417","","10.1039/c1sc00478f","","x-ray","0.71073","MoKα","","0.0851","0.0631","","","0.1754","0.2057","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515526","34.0823","0.0007","5.4014","0.0001","16.6312","0.0003","90","","102.68","0.001","90","","2987","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C136 H144 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0385","0.0334","","","0.0869","0.09","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515527","12.3076","0.0003","9.776","0.0003","26.6952","0.0007","90","","90","","90","","3211.94","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C128 H176 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0504","0.0407","","","0.1041","0.111","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515528","5.2071","0.0001","12.8881","0.0003","14.6972","0.0004","90","","90","","90","","986.32","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N2 O2 S -","- C8 H14 N2 O2 S -","- C32 H56 N8 O8 S4 -","4","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0344","0.0333","","","0.0986","0.0997","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515529","14.5628","0.0004","6.4095","0.0002","16.6818","0.0004","90","","102.174","0.002","90","","1522.07","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0474","0.0379","","","0.0996","0.105","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515530","6.0485","0.0004","16.8765","0.0013","27.927","0.002","90","","90","","90","","2850.7","0.4","100","2","100","2","","","","","","","Aakarash Saxena","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O3 S Si -","- C30 H41 N O3 S Si -","- C120 H164 N4 O12 S4 Si4 -","4","1","","Saxena, Aakarsh; Lam, Hon Wai","Enantioselective rhodium-catalyzed arylation of electron-deficient alkenylarenes","Chemical Science","2011","2","12","2326","","10.1039/c1sc00521a","","","1.5418","CuKα","","0.049","0.0439","","","0.1088","0.113","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515531","24.233","0.016","11.685","0.008","20.507","0.013","90","","111.491","0.011","90","","5403","6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C63 H55 N2 O17.5 -","- C63 H55 N2 O17.385 -","- C252 H220 N8 O69.54 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.1507","0.0649","","","0.1185","0.1471","","","","","","0.998","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515532","11.0841","0.0002","13.3658","0.0002","17.321","0.0003","90","","90","","90","","2566.07","0.07","120","2","120","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N2 O9 -","- C27 H28 Cl2 N2 O9 -","- C108 H112 Cl8 N8 O36 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","1.54184","CuKα","","0.0305","0.0301","","","0.0904","0.0911","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515533","13.8836","0.0007","17.9623","0.001","18.7911","0.001","75.44","0.002","88.26","0.002","85.425","0.002","4520.9","0.4","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C27 H26 F12 N2 P2 -","- C27 H26 F12 N2 P2 -","- C162 H156 F72 N12 P12 -","6","3","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.1328","0.0733","","","0.2068","0.2488","","","","","","0.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515534","9.074","0.0006","16.546","0.0011","20.709","0.0017","90","","109.934","0.006","90","","2922.9","0.4","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F6 N2 O6 S2 -","- C29 H26 F6 N2 O6 S2 -","- C116 H104 F24 N8 O24 S8 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","0.71073","MoKα","","0.0528","0.0416","","","0.1027","0.1119","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515535","12.7496","0.001","10.619","0.0012","22.4445","0.0018","90","","90","","90","","3038.7","0.5","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C136 H176 O24 -","8","1","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.1217","0.0761","","","0.1951","0.2347","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515536","5.8343","0.0003","7.4644","0.0004","37.7001","0.0018","90","","90","","90","","1641.82","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Br O3 -","- C17 H21 Br O3 -","- C68 H84 Br4 O12 -","4","1","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.0245","0.0243","","","0.0653","0.0654","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515537","12.1533","0.0003","35.1495","0.0007","12.2922","0.0003","90","","110.684","0.001","90","","4912.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C216 H288 O48 -","12","3","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.0976","0.0801","","","0.2275","0.2637","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515538","12.518","0.005","18.378","0.005","20.119","0.005","97.003","0.005","102.035","0.005","107.893","0.005","4221","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H76 F15 N8 O22 P Pd S3 -","- C74 H76 F15 N8 O22 P Pd S3 -","- C148 H152 F30 N16 O44 P2 Pd2 S6 -","2","1","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.194","0.1162","","","0.3326","0.3874","","","","","","1.299","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515539","12.0255","0.0005","20.4941","0.0008","28.0429","0.0012","90","","93.676","0.002","90","","6897","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C122 H144 F18 N14 O46 Pd2 S6 -","- C122 H144 F18 N14 O46 Pd2 S6 -","- C244 H288 F36 N28 O92 Pd4 S12 -","2","0.5","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.127","0.1062","","","0.2562","0.2712","","","","","","1.117","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515540","13.067","0.005","14.272","0.005","17.273","0.005","67.392","0.005","77.696","0.005","87.835","0.005","2902","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 F12 N5 P2 -","- C31 H21 F12 N5 P2 -","- C124 H84 F48 N20 P8 -","4","2","","Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.","Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes","Chemical Science","2011","2","12","2407","","10.1039/c1sc00508a","","","0.71073","MoKα","","0.1278","0.0643","","","0.1725","0.2228","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515541","8.7653","0.0002","8.7653","0.0002","13.8811","0.0005","90","","90","","90","","1066.49","0.05","90","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.631 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","- Fe15.6312 K8.622 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.6889","synchrotron","","0.1508","0.0572","","","0.0688","0.0937","","","","1.69","1.69","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515542","8.7788","0.0004","8.7788","0.0004","13.8604","0.0006","90","","90","","90","","1068.18","0.08","100","","100","","","","","","","","","3","I 4/m","-I 4","87","","","","- Fe15.29 K9.223 Se20 -","- Fe15.284 K9.222 Se20 -","- Fe15.284 K9.222 Se20 -","1","0.0625","","Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B.","Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies","Chemical Science","2011","2","6","1054","","10.1039/c1sc00070e","","","0.71069","MoKα","","0.0721","0.0578","","","0.0771","0.0849","","","","1.8","1.8","1.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515543","12.6286","0.0009","13.2786","0.001","14.6898","0.001","85.812","0.002","77.077","0.002","67.47","0.002","2217.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O8 -","- C48 H64 O8 -","- C96 H128 O16 -","2","1","","Hau, Chun-Kit; Chui, Stephen Sin-Yin; Lu, Wei; Che, Chi-Ming; Cheng, Ping-Shing; Mak, Thomas C. W.; Miao, Qian; Wong, Henry N. C.","Thermotropic liquid crystals based on 1,8,9,16-tetrasubstituted tetraphenylenes and their structure‒property relationship studies","Chemical Science","2011","2","6","1068","","10.1039/c1sc00053e","","","0.71073","MoKα","","0.1681","0.067","","","0.1589","0.2093","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515544","11.05","0.002","13.83","0.003","14.03","0.003","78.8","0.03","83.81","0.03","69.28","0.03","1965.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H110 Cu5 Gd4 N8 O38 -","- C48 H110 Cu5 Gd4 N8 O38 -","- C48 H110 Cu5 Gd4 N8 O38 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Hooper, Thomas; Brechin, Euan K.; Evangelisti, Marco; Murray, Keith S.","Molecular coolers: The case for [CuII5GdIII4]","Chemical Science","2011","2","6","1166","","10.1039/c1sc00038a","","","0.71082","synchrotron","","0.0409","0.0398","","","0.0992","0.0999","","","","","","1.132","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515545","11.0978","0.0011","10.0421","0.001","15.8898","0.0016","90","","99.529","0.002","90","","1746.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H42 N2 O4 -","- C41 H42 N2 O4 -","- C82 H84 N4 O8 -","2","1","","Li, Jie; Chen, Gang; Wang, Zheng; Zhang, Ruzhou; Zhang, Xumu; Ding, Kuiling","Spiro-2,2′-bichroman-based bisoxazoline (SPANbox) ligands for ZnII-catalyzed enantioselective hydroxylation of β-keto esters and 1,3-diester","Chemical Science","2011","2","6","1141","","10.1039/c0sc00607f","","","0.71073","MoKα","","0.075","0.0608","","","0.1302","0.1373","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515546","9.9624","0.0004","17.8137","0.0008","12.6175","0.0006","90","","98.264","0.002","90","","2215.94","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 Br N O2 S -","- C12 H18 Br N O2 S -","- C72 H108 Br6 N6 O12 S6 -","6","3","","Chuang, Kangway V.; Navarro, Raul; Reisman, Sarah E.","Benzoquinone-derived sulfinyl imines as versatile intermediates for alkaloid synthesis: Total synthesis of (‒)-3-demethoxyerythratidinone","Chemical Science","2011","2","6","1086","","10.1039/c1sc00095k","","","0.71073","MoKα","","0.0344","0.0257","","","0.0308","0.0315","","","","","","1.083","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1515547","11.5561","0.0003","31.6369","0.0007","9.5457","0.0003","90","","109.984","0.003","90","","3279.77","0.16","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.0708","0.0477","","","0.0946","0.0981","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515548","12.096","0.005","32.135","0.005","9.467","0.005","90","0.005","111.981","0.005","90","0.005","3412","2","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1188","0.0635","","","0.1689","0.1812","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515549","11.9215","0.0015","31.91","0.003","9.4841","0.0011","90","","111.535","0.013","90","","3356","0.7","250","2","250","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1371","0.053","","","0.124","0.1372","","","","","","0.862","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515550","11.5602","0.0004","31.6268","0.0012","9.5237","0.0004","90","","110.199","0.004","90","","3267.8","0.2","92","2","92","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C27 H26 Cl2 Cr Fe Mn N4 O14 -","- C108 H104 Cl8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François","A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover","Chemical Science","2011","2","6","1121","","10.1039/c1sc00015b","","","0.71073","MoKα","","0.1074","0.0546","","","0.1139","0.123","","","","","","0.923","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515551","15.503","0.003","13.996","0.003","10.645","0.002","90","","109.377","0.003","90","","2178.9","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Cu F6 N P S3 -","- C16 H27 Cu F6 N P S3 -","- C64 H108 Cu4 F24 N4 P4 S12 -","4","1","","Chaudhry, Aneese F.; Mandal, Subrata; Hardcastle, Kenneth I.; Fahrni, Christoph J.","High-contrast Cu(I)-selective fluorescent probes based on synergistic electronic and conformational switching.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","6","1016","1024","10.1039/C1SC00024A","","","0.71073","MoKα","","0.1615","0.0795","","","0.2037","0.2765","","","","","","1.803","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515552","30.1892","0.0002","30.1892","0.0002","30.1892","0.0002","90","","90","","90","","27514.1","0.3","296","2","296","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C32 H28 Cu2 O14 -","- C32 H4 Cu2 O14 -","- C192 H24 Cu12 O84 -","6","0.125","","Jeong, Kyung Seok; Go, Yong Bok; Shin, Sung Min; Lee, Suk Joong; Kim, Jaheon; Yaghi, Omar M.; Jeong, Nakcheol","Asymmetric catalytic reactions by NbO-type chiral metal‒organic frameworks","Chemical Science","2011","2","5","877","","10.1039/c0sc00582g","","","1.54178","CuKα","","0.1328","0.0613","","","0.1891","0.2227","","","","","","0.741","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515553","63.385","0.004","12.6019","0.0008","38.409","0.003","90","","98.769","0.004","90","","30321","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 N6 P -","- C54 H76 N6 P -","- C1296 H1824 N144 P24 -","24","3","","Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy","N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals","Chemical Science","2011","2","5","858","","10.1039/c1sc00027f","","","0.71073","MoKα","","0.1067","0.0641","","","0.1503","0.1742","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515554","11.516","0.006","22.439","0.011","25.37","0.012","90","","98.889","0.008","90","","6477","6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H98 N7 P V -","- C66 H98 N7 P V -","- C264 H392 N28 P4 V4 -","4","1","","Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy","N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals","Chemical Science","2011","2","5","858","","10.1039/c1sc00027f","","","0.71073","MoKα","","0.1689","0.0637","","","0.1031","0.1303","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515555","11.5815","0.0001","11.8231","0.0001","25.3961","0.0003","80.0523","0.0004","87.1768","0.0004","66.4893","0.0005","3140.1","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H73 N5 O12 -","- C70 H73 N5 O12 -","- C140 H146 N10 O24 -","2","1","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.71073","MoKα","","0.0646","0.0502","","0.1259","0.1151","0.1259","","","","","","0.9815","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515556","11.009","0.007","17.213","0.01","25.06","0.016","73.3","0.02","82.6","0.03","79.77","0.03","4461","5","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C96 H102 Cl N5 O20 -","- C96 H102 Cl N5 O20 -","- C192 H204 Cl2 N10 O40 -","2","2","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.6889","Synchrotron","","0.1273","0.12","","0.3295","0.3229","0.3295","","","","","","1.0058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515557","12.2168","0.0013","24.953","0.003","31.028","0.003","90","","97.622","0.001","90","","9375.2","1.8","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H110 Cl N5 O22 -","- C102 H110 Cl N5 O22 -","- C408 H440 Cl4 N20 O88 -","4","1","","Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D.","Cation-induced molecular motion of spring-like [2]catenanes","Chemical Science","2011","2","5","922","","10.1039/c1sc00034a","","","0.6889","Synchrotron","","0.1268","0.0971","","0.1927","0.168","0.1927","","","","","","1.0548","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515558","26.964","0.004","14.146","0.002","24.947","0.004","90","","116.938","0.002","90","","8483","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(THT)AuP(Ph2CCO)3Nb(N[CH2tBu]Ar)3 2.5.THF","","","- C95 H118 Au N3 Nb O5.5 P S -","- C95 H118 Au N3 Nb O5.5 P S -","- C380 H472 Au4 N12 Nb4 O22 P4 S4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0572","0.0397","","","0.0924","0.1032","","","","","","1.026","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515559","27.017","0.002","14.1228","0.0013","24.657","0.002","90","","116.11","0.001","90","","8447.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(py)AuP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Au N4 Nb O5.5 P -","- C96 H115 Au N4 Nb O5.5 P -","- C384 H460 Au4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0575","0.0373","","","0.095","0.103","","","","","","1.031","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515560","27.086","0.002","14.0697","0.0011","24.79","0.002","90","","116.396","0.001","90","","8462.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(pyr)AgP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Ag N4 Nb O5.5 P -","- C96 H115 Ag N4 Nb O5.5 P -","- C384 H460 Ag4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0897","0.0523","","","0.1208","0.1391","","","","","","0.969","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515561","23.3525","0.0016","15.0941","0.001","25.0969","0.0017","90","","115.147","0.001","90","","8007.8","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Rh(eta(6)-Ph,eta(2)-Ph'-P(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C92.5 H122 N3 Nb O5 P Rh -","- C91.509 H112.036 N3 Nb O4.991 P Rh -","- C366.036 H448.144 N12 Nb4 O19.964 P4 Rh4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0582","0.0414","","","0.097","0.1105","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515562","27.065","0.003","14.0252","0.0016","24.972","0.003","90","","116.777","0.002","90","","8462.7","1.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(py)CuP(C[CPh2]O)3Nb(N[Np]Ar)3","","","- C96 H115 Cu N4 Nb O5.5 P -","- C96 H115 Cu N4 Nb O5.5 P -","- C384 H460 Cu4 N16 Nb4 O22 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0664","0.0471","","","0.1259","0.1402","","","","","","1.024","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515563","17.736","0.002","17.736","0.002","51.913","0.007","90","","90","","120","","14142","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","[Na(thf)6][(Ar[Np]N)3Nb(OC[CPh2])3P]","","","- C105 H138 N3 Na Nb O9 P -","- C105 H138 N3 Na Nb O9 P -","- C630 H828 N18 Na6 Nb6 O54 P6 -","6","0.333333","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0752","0.0495","","","0.1179","0.1362","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515564","23.715","0.002","16.1639","0.0013","19.4189","0.0016","90","","107.002","0.001","90","","7118.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(Ar[Np]N)3Nb(OC[CPh2])2P][Na(thf)]","","","- C74.75 H97 N3 Na Nb O3 P -","- C74.75 H97 N3 Na Nb O3 P -","- C299 H388 N12 Na4 Nb4 O12 P4 -","4","1","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0659","0.0455","","","0.1156","0.131","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515565","10.2629","0.0002","12.4476","0.0003","14.5233","0.0003","112.514","0.002","91.655","0.002","105.741","0.002","1631.16","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H61 Fe2 -","- C34 H61 Fe2 -","- C68 H122 Fe4 -","2","1","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","0.71073","MoKα","","0.0839","0.0459","","","0.093","0.1076","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515566","9.0398","0.0002","9.0398","0.0002","40.2263","0.0012","90","","90","","90","","3287.21","0.14","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H62 Fe2 -","- C34 H62 Fe2 -","- C136 H248 Fe8 -","4","0.5","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","1.54178","CuKα","","0.0262","0.0253","","","0.0648","0.0653","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515567","13.3878","0.0003","13.7768","0.0003","19.6471","0.0004","90","","90","","90","","3623.73","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H58 Fe2 P4 -","- C34 H58 Fe2 P4 -","- C136 H232 Fe8 P16 -","4","1","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","0.71073","MoKα","","0.0476","0.0388","","","0.0845","0.0879","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515568","54.319","0.008","4.7958","0.0007","18.476","0.003","90","","109.058","0.002","90","","4549.2","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C256 H192 N32 -","16","2","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0858","0.0629","","","0.1558","0.1676","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515569","14.9876","0.0013","5.6399","0.0005","18.1283","0.0016","90","","94.317","0.002","90","","1528","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0667","0.0511","","","0.1199","0.1292","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515570","18.7505","0.0012","7.0987","0.0004","20.0419","0.0012","90","","90","","90","","2667.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C120 H80 Br16 N16 -","8","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0561","0.0357","","","0.0785","0.0854","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515571","11.3993","0.0012","20.292","0.002","6.8679","0.0007","90","","116.348","0.002","90","","1423.6","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 Br2 N2 -","- C16 H12 Br2 N2 -","- C64 H48 Br8 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0304","0.026","","","0.0517","0.053","","","","","","0.881","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515572","4.7179","0.0003","13.9491","0.0009","18.8428","0.0012","90","","90","","90","","1240.05","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br N2 -","- C16 H11 Br N2 -","- C64 H44 Br4 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0382","0.0332","","","0.0722","0.0743","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515573","10.4908","0.0014","17.614","0.002","9.1784","0.0012","90","","106.541","0.002","90","","1625.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Tang, Bo-Xiao; Song, Ren-Jie; Wu, Cui-Yan; Wang, Zhi-Qiang; Liu, Yu; Huang, Xiao-Cheng; Xie, Ye-Xiang; Li, Jin-Heng","Ruthenium-catalyzed intramolecular carbocyclization of alkynes with an sp3 carbon involving an oxidative deprotonation process","Chemical Science","2011","2","11","2131","","10.1039/c1sc00423a","","","0.71073","MoKα","","0.0706","0.0524","","","0.1339","0.1441","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515574","12.942","0.002","5.7874","0.001","22.755","0.004","90","","104.764","0.003","90","","1648.1","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Robbins, Diane; Newton, Annabella F.; Gignoux, Camille; Legeay, Jean-Christophe; Sinclair, Alex; Rejzek, Martin; Laxon, Carly A.; Yalamanchili, Sai K.; Lewis, William; O'Connell, Maria A.; Stockman, Robert A.","Synthesis of natural-product-like scaffolds in unprecedented efficiency via a 12-fold branching pathway","Chemical Science","2011","2","11","2232","","10.1039/c1sc00371b","","","0.71073","MoKα","","0.1409","0.1351","","","0.2264","0.2285","","","","","","1.401","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515575","27.1704","0.0019","27.1704","0.0019","27.1704","0.0019","90","","90","","90","","20058","2","113","2","113","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C156 H84 N48 O68 Zn7 -","- C156 H84 N48 O68.04 Zn7 -","- C624 H336 N192 O272.16 Zn28 -","4","0.0833333","","Qi, Xiao-Lin; Lin, Rui-Biao; Chen, Qing; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal azolate framework with drastic luminescence response toward solvent vapors and carbon dioxide","Chemical Science","2011","2","11","2214","","10.1039/c1sc00421b","","","0.71073","MoKα","","0.098","0.0615","","","0.137","0.1596","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515576","18.0449","0.0004","16.5511","0.0004","5.3798","0.0001","90","","90","","90","","1606.75","0.06","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Du, Juana; Espelt, Laura Ruiz; Guzei, Ilia A.; Yoon, Tehshik P.","Photocatalytic Reductive Cyclizations of Enones: Divergent Reactivity of Photogenerated Radical and Radical Anion Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","11","2115","2119","10.1039/C1SC00357G","","","1.54178","CuKα","","0.0292","0.0285","","","0.0786","0.0797","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515577","9.548","0.004","5.573","0.002","13.512","0.005","90","","102.084","0.006","90","","703.1","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 F3 N O4 -","- C13 H18 F3 N O4 -","- C26 H36 F6 N2 O8 -","2","1","","Royzen, Maksim; Taylor, Michael T.; Deangelis, Andrew; Fox, Joseph M.","Total Synthesis of Hyacinthacine A2: Stereocontrolled 5-aza-cyclooctene Photoisomerization and Transannular Hydroamination with Planar-to-Point Chirality Transfer.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","11","2162","2165","10.1039/C1SC00442E","","","0.71073","MoKα","","0.0409","0.0376","","","0.099","0.1025","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515578","24.217","0.003","24.217","0.003","44.518","0.009","90","","90","","90","","26108","7","253","2","253","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C62 H46 Cl4 Fe2 N13 O17.5 -","- C62 H40 Cl4 Fe2 N13 O17.5 -","- C992 H640 Cl64 Fe32 N208 O280 -","16","0.5","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.1108","0.0588","","","0.1672","0.1925","","","","","","0.909","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515579","28.005","0.006","23.913","0.005","25.973","0.005","90","","115.78","0.03","90","","15663","7","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H53.25 Cl4 Fe2 N17.5 O18 -","- C77 H46 Cl4 Fe2 N17.5 O18 -","- C616 H368 Cl32 Fe16 N140 O144 -","8","2","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.2768","0.1013","","","0.2199","0.29","","","","","","0.808","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515580","19.005","0.004","14.428","0.003","20.463","0.004","90","","101.45","0.02","90","","5499","2","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Cl4 Fe2 N10 O21 -","- C50 H34 Cl4 Fe2 N10 O21 -","- C200 H136 Cl16 Fe8 N40 O84 -","4","1","","Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming","Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone","Chemical Science","2011","2","11","2187","","10.1039/c1sc00234a","","","0.71073","MoKα","","0.1054","0.0609","","","0.1688","0.1973","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515581","12.1016","0.0004","6.4721","0.0002","11.3344","0.0004","90","","111.593","0.001","90","","825.44","0.05","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin form II","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.","Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation","Chemical Science","2011","2","11","2236","","10.1039/c1sc00430a","","","0.71073","MoKα","","0.0522","0.0473","","","0.0922","0.0946","","","","","","1.231","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515582","12.3578","0.0007","6.5315","0.0008","11.4964","0.0007","90","","112.436","0.003","90","","857.69","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin form II","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R.","Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation","Chemical Science","2011","2","11","2236","","10.1039/c1sc00430a","","","0.71073","MoKα","","0.0592","0.0362","","","0.0845","0.0953","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515583","27.568","0.007","15.989","0.004","25.24","0.006","90","","106.726","0.005","90","","10655","5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C91 H130 B2 Cl2 Cu4 F8 N10 P4 -","- C91 H130 B2 Cl2 Cu4 F8 N10 P4 -","- C364 H520 B8 Cl8 Cu16 F32 N40 P16 -","4","0.5","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.1807","0.082","","","0.2251","0.2879","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515584","12.238","0.002","18.531","0.003","20.929","0.003","90","","103.246","0.003","90","","4620.1","1.3","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H84 B2 Cl4 Cu4 F8 N10 P4 -","- C92 H84 B2 Cl4 Cu4 F8 N10 P4 -","- C184 H168 B4 Cl8 Cu8 F16 N20 P8 -","2","0.5","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.1001","0.0477","","","0.1142","0.1526","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515585","8.485","0.002","13.769","0.002","15.231","0.003","91.11","0.002","100.453","0.003","91.01","0.002","1749.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 B Cu F4 N5 P -","- C38 H34 B Cu F4 N5 P -","- C76 H68 B2 Cu2 F8 N10 P2 -","2","1","","Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming","Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement","Chemical Science","2011","2","8","1509","","10.1039/c0sc00597e","","","0.71073","MoKα","","0.0824","0.0513","","","0.127","0.152","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515586","30.849","0.0006","30.849","0.0006","23.5478","0.0006","90","","90","","120","","19407.2","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H62 Li N3 O3 Ti -","- C44.92 H61.92 Li N3 O3 Ti -","- C808.56 H1114.56 Li18 N54 O54 Ti18 -","18","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","1.54178","CuKα","","0.0749","0.056","","","0.1485","0.1605","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515587","19.9166","0.0018","19.1716","0.0018","21.779","0.002","90","","90","","90","","8315.9","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 N3 O3 Si Ti -","- C40 H63 N3 O3 Si Ti -","- C320 H504 N24 O24 Si8 Ti8 -","8","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","0.71073","MoKα","","0.062","0.0427","","","0.0987","0.1113","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515588","3.822","0.0007","13.266","0.002","13.858","0.002","118.434","0.002","93.312","0.003","94.22","0.003","612.74","0.17","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H16 S4 -","- C40 H16 S4 -","- C40 H16 S4 -","1","0.5","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.0711","0.0543","","","0.1474","0.1589","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515589","27.556","0.0011","16.5467","0.0007","28.5253","0.0012","90","","94.415","0.001","90","","12967.8","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58.33 H50.67 S4 -","- C58.3333 H50.6667 S4 -","- C700 H608 S48 -","12","3","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.0997","0.0626","","","0.1641","0.1847","","","","","","1.275","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515590","13.742","0.002","21.483","0.004","17.611","0.003","90","","96.049","0.003","90","","5170.2","1.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 N4 S4 -","- C68 H52 N4 S4 -","- C272 H208 N16 S16 -","4","1","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.117","0.0726","","","0.1773","0.205","","","","","","1.287","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515591","22.514","0.005","19.373","0.004","19.548","0.004","90","","108.901","0.003","90","","8066","3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C310 H64 S4 -","- C310 H64 S4 -","- C620 H128 S8 -","2","0.5","","Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin","Shape-shifting in contorted dibenzotetrathienocoronenes","Chemical Science","2011","2","8","1480","","10.1039/c1sc00156f","","","0.71073","MoKα","","0.3184","0.1623","","","0.3811","0.4275","","","","","","1.724","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515592","17.249","0.002","17.249","0.002","81.989","0.016","90","","90","","120","","21126","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C132 H202 N6 O6 S U2 -","- C131.9 H174 N6 O6 S U2 -","- C791.4 H1044 N36 O36 S6 U12 -","6","0.166667","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1182","0.0563","","","0.1192","0.1305","","","","","","1.364","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515593","14.8605","0.0019","15.046","0.002","17.8037","0.0016","70.931","0.009","81.732","0.011","60.483","0.01","3273.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H192 N10 O6 S0.02 Se0.98 U2 -","- C134 H192 N10 O6 S0.024 Se0.976 U2 -","- C134 H192 N10 O6 S0.024 Se0.976 U2 -","1","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0495","0.0387","","","0.092","0.0969","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515594","22.837","0.0016","24.081","0.002","25.25","0.002","90","","116.123","0.008","90","","12467.5","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H187 N2 O17 S U2 -","- C130 H187 N2 O17 S U2 -","- C520 H748 N8 O68 S4 U8 -","4","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.105","0.0569","","","0.1242","0.1535","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515595","22.7926","0.0018","24.1118","0.0009","25.319","0.003","90","","116.089","0.01","90","","12497","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H187 N2 O17 Se U2 -","- C130 H187 N2 O17 Se U2 -","- C520 H748 N8 O68 Se4 U8 -","4","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1217","0.052","","","0.106","0.1322","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515596","28.397","0.003","17.161","0.0019","55.426","0.011","90","","103.778","0.011","90","","26233","7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H192 N2 Na2 O18 S2 U2 -","- C132 H192 N2 Na2 O18 S2 U2 -","- C1056 H1536 N16 Na16 O144 S16 U16 -","8","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1004","0.0805","","","0.2101","0.2182","","","","","","1.481","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515597","24.887","0.005","21.404","0.004","26.847","0.005","90","","110.322","0.009","90","","13411","5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H192 N2 Na2 O18 Se2 U2 -","- C132 H192 N2 Na2 O18 Se2 U2 -","- C528 H768 N8 Na8 O72 Se8 U8 -","4","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0897","0.0527","","","0.1219","0.1345","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515598","24.818","0.002","21.454","0.002","27.07","0.003","90","","110.585","0.011","90","","13493","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C134 H196 N2 Na2 O18.5 Te2 U2 -","- C134 H196 N2 Na2 O18.5 Te2 U2 -","- C536 H784 N8 Na8 O74 Te8 U8 -","4","0.5","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.0794","0.0477","","","0.1003","0.1104","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515599","15.1722","0.0016","16.9264","0.0012","21.898","0.0016","99.027","0.006","100.16","0.007","96.211","0.008","5413.2","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H162 N3 O14 U2 -","- C122.996 H161.99 N3 O13.998 U2 -","- C245.992 H323.98 N6 O27.996 U4 -","2","1","","Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten","Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te)","Chemical Science","2011","2","8","1538","","10.1039/c1sc00151e","","","0.71073","MoKα","","0.1064","0.0522","","","0.1","0.1188","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515600","10.3614","0.0008","11.1748","0.0009","18.7204","0.0016","90","","90","","90","","2167.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O5 S -","- C22 H20 Br N O5 S -","- C88 H80 Br4 N4 O20 S4 -","4","1","","Gu, Qing; You, Shu-Li","Desymmetrization of cyclohexadienones via cinchonine derived thiourea-catalyzed enantioselective aza-Michael reaction and total synthesis of (-)-Mesembrine","Chemical Science","2011","2","8","1519","","10.1039/c1sc00083g","","","0.71073","MoKα","","0.0829","0.0364","","","0.0559","0.064","","","","","","0.848","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515601","10.6331","0.0004","10.6331","0.0004","5.6597","0.0003","90","","90","","90","","639.9","0.05","566","2","566","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ca2 F H7 Ir O7 -","- Ca2 F H7 Ir O7 -","- Ca8 F4 H28 Ir4 O28 -","4","0.25","","Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.","Structural variety in iridate oxides and hydroxides from hydrothermal synthesis","Chemical Science","2011","2","8","1573","","10.1039/c1sc00192b","","","0.71073","MoKα","","0.0379","0.0188","","","0.0443","0.0478","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515602","5.9657","0.0003","10.9919","0.0004","6.0097","0.0003","90","","112.903","0.006","90","","363.01","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H8 Ir O8 Sr2 -","- H8 Ir O8 Sr2 -","- H16 Ir2 O16 Sr4 -","2","0.5","","Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.","Structural variety in iridate oxides and hydroxides from hydrothermal synthesis","Chemical Science","2011","2","8","1573","","10.1039/c1sc00192b","","","0.71073","MoKα","","0.029","0.0234","","","0.0533","0.0546","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515603","8.7047","0.0002","15.6298","0.0003","9.3874","0.0002","90","","115.922","0.001","90","","1148.68","0.04","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Al N3 -","- C8 H22 Al N3 -","- C32 H88 Al4 N12 -","4","1","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.0461","0.0355","","","0.0941","0.1002","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515604","14.6013","0.0003","15.486","0.0003","8.6751","0.0002","90","","122.28","0.03","90","","1658.4","0.6","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Al2 N2 -","- C12 H32 Al2 N2 -","- C48 H128 Al8 N8 -","4","0.5","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.0503","0.0379","","","0.0999","0.1083","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515605","19.5895","0.0006","19.5895","0.0006","31.1522","0.0008","90","","90","","120","","10353","0.5","260","2","260","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H36 B3 N3 -","- C12 H36 B3 N3 -","- C288 H864 B72 N72 -","24","4","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1696","0.1236","","","0.3639","0.3858","","","","","","1.429","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515606","29.3467","0.0005","29.3467","0.0005","14.9405","0.0004","90","","90","","120","","11143.3","0.4","180","2","180","2","","","","","","","","6","P 63","P 6c","173","","","","- C37 H113 B4 N9 O Si12 -","- C37 H113 B4 N9 O Si12 -","- C222 H678 B24 N54 O6 Si72 -","6","1","","Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.","Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity","Chemical Science","2011","2","8","1554","","10.1039/c1sc00154j","","","0.71073","MoKα","","0.1667","0.1235","","","0.3072","0.3335","","","","","","2.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515607","9.7467","0.0002","14.1261","0.0003","20.0486","0.0004","90","","95.845","0.001","90","","2746","0.1","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 O4 Si -","- C30 H38 O4 Si -","- C120 H152 O16 Si4 -","4","2","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","0.0863","0.0779","","","0.2133","0.2246","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515608","7.2838","0.0007","9.555","0.0009","19.3652","0.0019","90","","90","","90","","1347.8","0.2","223.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","0.71075","MoKα","","","0.0606","","","","0.1412","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515609","12.956","0.002","8.4492","0.0015","11.2977","0.002","90","","90.405","0.004","90","","1236.7","0.4","223.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","0.71075","MoKα","","","0.0665","","","","0.1613","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515610","6.16325","0.00011","11.2731","0.0002","18.7642","0.0013","90","","90","","90","","1303.72","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","","0.0336","","","","0.0832","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515611","6.14187","0.00012","11.3932","0.0002","18.2633","0.0004","90","","90","","90","","1277.98","0.04","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","","0.0378","","","","0.0987","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515612","21.1146","0.0006","32.0756","0.001","12.6836","0.0004","90","","90","","90","","8590.1","0.5","150","2","150","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C12 H154 N6 Na18 O165 Te8 W28 -","- C7 N3.8 Na13.4 O163.9 Te8 W28 -","- C14 N7.6 Na26.8 O327.8 Te16 W56 -","2","0.25","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54178","CuKα","","0.0737","0.0475","","","0.1187","0.1317","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515613","19.7207","0.0004","37.8627","0.0011","22.6396","0.0004","90","","104.374","0.002","90","","16375.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H130 K24 O177 Te8 W28 -","- K23.2 O150.878 Te8 W28 -","- K92.8 O603.512 Te32 W112 -","4","1","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","0.71073","MoKα","","0.1251","0.0681","","","0.1189","0.1452","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515614","19.3418","0.0008","21.0639","0.001","22.8563","0.0011","104.296","0.004","91.843","0.004","92.426","0.004","9006.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H79 Na26 O152 Te9 W28 -","- Na12.85 O150.95 Te9 W28 -","- Na25.7 O301.9 Te18 W56 -","2","1","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54178","CuKα","","0.1443","0.0719","","","0.1659","0.2026","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515615","32.5176","0.0006","20.937","0.0003","27.2721","0.0004","90","","102.804","0.002","90","","18105.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Cl H142 Na27 O186 Te9 W28 -","- Cl Na21.9 O151.8 Te9 W28 -","- Cl4 Na87.6 O607.2 Te36 W112 -","4","0.5","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","1.54184","CuKα","","0.0704","0.0566","","","0.1484","0.1618","","","","","","1.116","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515616","34.873","0.0001","18.6557","0.0003","27.5438","0.0008","90","","105.384","0.004","90","","17277.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H90 Na28 O163 Te10 W28 -","- Na16.4 O153 Te9.5 W28 -","- Na65.6 O612 Te38 W112 -","4","0.5","","Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy","Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties","Chemical Science","2011","2","8","1502","","10.1039/c1sc00150g","","","0.71073","MoKα","","0.0781","0.0485","","","0.1205","0.1273","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515617","8.5144","0.0008","8.9709","0.0008","13.415","0.0013","92.829","0.001","103.59","0.001","102.048","0.001","968.8","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C54 H40 O4 -","2","1","","Kuzmanich, Gregory; Xue, Jiadan; Netto-Ferreira, José-Carlos; Scaiano, J. C.; Platz, Matthew; Garcia-Garibay, Miguel A.","Steady state and transient kinetics in crystalline solids: the photochemistry of nanocrystalline 1,1,3-triphenyl-3-hydroxy-2-indanone","Chemical Science","2011","2","8","1497","","10.1039/c1sc00184a","","","0.71073","MoKα","","0.0499","0.0457","","","0.1202","0.1233","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515618","7.0652","0.0001","11.0639","0.0002","22.775","0.0005","90","","90","","90","","1780.29","0.06","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C76 H64 I4 N4 O12 -","4","1","","Leon, Rafael; Jawalekar, Anup; Redert, Thomas; Gaunt, Matthew J.","Catalytic enantioselective assembly of complex molecules containing embedded quaternary stereogenic centres from simple anisidine derivatives","Chemical Science","2011","2","8","1487","","10.1039/c1sc00218j","","","0.71073","MoKα","","0.0225","0.0212","","","0.0539","0.0548","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515619","13.445","0.0007","9.4054","0.0005","14.8518","0.0007","90","","117.218","0.004","90","","1670.14","0.16","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","LTP196","","","- C16 H18 Cl N O2 Pd S -","- C16 H18 Cl N O2 Pd S -","- C64 H72 Cl4 N4 O8 Pd4 S4 -","4","1","","Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng","Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide","Chemical Science","2011","2","9","1822","","10.1039/c1sc00262g","","","0.71073","MoKα","","0.0335","0.0257","","","0.0598","0.0637","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515620","13.1411","0.0006","18.9878","0.001","8.625","0.0004","90","","106.879","0.002","90","","2059.4","0.17","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LTP198","","","- C20 H26 N O4.5 Pd S -","- C20 H26 N O4.5 Pd S -","- C80 H104 N4 O18 Pd4 S4 -","4","1","","Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng","Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide","Chemical Science","2011","2","9","1822","","10.1039/c1sc00262g","","","0.71073","MoKα","","0.0472","0.0311","","","0.0649","0.0744","","","","","","1.075","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515621","34.486","0.003","11.34","0.0009","24.7183","0.0019","90","","117.519","0.002","90","","8572.9","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H86 N22 O23 -","- C75 H86 N22 O23 -","- C300 H344 N88 O92 -","4","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.1117","0.0784","","","0.2192","0.2368","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515622","13.477","0.004","15.019","0.004","17.319","0.005","98.171","0.005","109.671","0.004","102.737","0.005","3129.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H178 N28 O22 -","- C114 H178 N28 O22 -","- C114 H178 N28 O22 -","1","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.0757","0.0665","","","0.1526","0.1577","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515623","12.36","0.003","14.699","0.004","15.587","0.004","70.114","0.004","82.103","0.004","66.078","0.004","2434.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H118 Cl6 N26 O19 -","- C84 H118 Cl6 N26 O19 -","- C84 H118 Cl6 N26 O19 -","1","0.5","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Tunable, shape-shifting capsule for dicarboxylates","Chemical Science","2011","2","9","1735","","10.1039/c1sc00292a","","","0.71073","MoKα","","0.0736","0.0673","","","0.1753","0.1805","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515624","29.168","0.006","27.741","0.006","20.935","0.004","90","","114.17","0.03","90","","15455","7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C154 H167 N6 O63.5 S10 -","- C154 H116 N6 O63.5 S10 -","- C616 H464 N24 O254 S40 -","4","0.5","","Guo, Dong-Sheng; Uzunova, Vanya D.; Su, Xin; Liu, Yu; Nau, Werner M.","Operational calixarene-based fluorescent sensing systems for choline and acetylcholine and their application to enzymatic reactions","Chemical Science","2011","2","9","1722","","10.1039/c1sc00231g","","","0.71073","MoKα","","0.1952","0.1235","","","0.3175","0.3744","","","","","","1.137","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515625","13.4133","0.0009","13.4133","0.0009","92.656","0.012","90","","90","","120","","14437","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 B6 Cl12 N12 O12 -","- C90 H48 B6 Cl12 N12 O12 -","- C540 H288 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","0.71073","MoKα","","0.09","0.0761","","","0.1394","0.1452","","","","","","1.264","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515626","14.3139","0.0009","14.3139","0.0009","30.848","0.002","90","","90","","120","","5473.6","0.6","298","2","298","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C114 H60 B6 Cl12 N12 O12 -","- C114 H60 B6 Cl12 N12 O12 -","- C228 H120 B12 Cl24 N24 O24 -","2","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0975","0.0465","","","0.1081","0.121","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515627","13.5162","0.0006","13.5162","0.0006","93.155","0.005","90","","90","","120","","14738.3","1.2","293","2","0","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H60 B6 Cl12 N12 O12 -","- C108 H60 B6 Cl12 N12 O12 -","- C648 H360 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0763","0.0459","","","0.1195","0.1307","","","","","","0.809","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515628","13.5417","0.0003","13.5417","0.0003","118.223","0.007","90","","90","","120","","18775","1.3","270","2","270","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C144 H84 B6 Cl12 N12 O12 -","- C144 H84 B6 Cl12 N12 O12 -","- C864 H504 B36 Cl72 N72 O72 -","6","0.166667","","Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay","Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages","Chemical Science","2011","2","9","1719","","10.1039/c1sc00320h","","","1.54186","CuKα","","0.0592","0.0555","","","0.1554","0.1587","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515629","6.24573","0.00008","7.2874","0.0001","37.2516","0.0005","90","","90","","90","","1695.51","0.04","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl2 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","1","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","x-ray","1.5418","CuKα","","0.0264","0.0258","","","0.0713","0.0717","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515630","24.8014","0.0016","24.8014","0.0016","6.835","0.0009","90","","90","","120","","3641","0.6","173","","173","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C30 H21 Cl3 -","- C30 H21 Cl3 -","- C180 H126 Cl18 -","6","0.333333","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","","0.71073","MoKα","","0.0357","0.0344","","","0.0828","0.0834","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515631","25.1026","0.0013","25.1026","0.0013","25.1026","0.0013","90","","90","","90","","15818.2","1.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C132 H180 Cl12 Co8 N72 O4 -","- C132 H180 Cl12 Co8 N72 O3.6 -","- C528 H720 Cl47.9999 Co32 N288 O14.4 -","4","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","x-ray","0.71073","MoKα","","0.0711","0.0493","","","0.1349","0.1495","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515632","17.758","0.005","19.38","0.003","24.772","0.006","90","","90.257","0.016","90","","8525","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 Br12 Co8 N72 O18 -","- C132 H156 Br12 Co8 N72 O17.92 -","- C264 H312 Br24 Co16 N144 O35.84 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1959","0.0826","","","0.1984","0.2615","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515633","28.55","0.002","22.5268","0.0019","19.4189","0.0016","90","","131.977","0.003","90","","9284.5","1.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C138 H156 Cl16 Co10 N72 O11.5 S3 -","- C138 H156 Cl16 Co10 N72 O11.52 S3 -","- C276 H312 Cl32 Co20 N144 O23.04 S6 -","2","0.25","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","x-ray","0.71073","MoKα","","0.174","0.0833","","","0.2286","0.2748","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515634","20.155","0.005","19.422","0.005","22.792","0.006","90","","90.221","0.002","90","","8922","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C132 H156 Co8 N84 O58.5 -","- C132 H156 Co8 N84 O58.5 -","- C264 H312 Co16 N168 O117 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1293","0.0782","","","0.1921","0.2213","","","","","","1.041","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515635","31.693","0.006","20.047","0.004","32.309","0.007","90","","109.5","0.03","90","","19350","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C138 H178 B12 Co8 F48 N74 O16.75 -","- C138 H178 B12 Co8 F48 N74 O16.86 -","- C552 H712 B48 Co32 F192 N296 O67.44 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.5418","CuKα","","0.1715","0.0789","","","0.1871","0.2358","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515636","33.008","0.008","19.253","0.005","32.654","0.007","90","","116.116","0.005","90","","18633","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H168 Cl12 Co8 N72 O40 -","- C132 H168 Cl12 Co8 N72 O39.96 -","- C528 H672 Cl48 Co32 N288 O159.84 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1305","0.0714","","","0.1662","0.1988","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515637","17.3775","0.0012","17.494","0.0012","24.6892","0.0017","90","","90","","90","","7505.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H88 N32 Ni4 O16 -","- C56 H88 N32 Ni4 O16 -","- C224 H352 N128 Ni16 O64 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1346","0.0702","","","0.1688","0.2018","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515638","12.909","0.002","12.071","0.0019","12.95","0.002","90","","115.858","0.002","90","","1815.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cd N8 O4 -","- C14 H22 Cd N8 O4 -","- C56 H88 Cd4 N32 O16 -","4","1","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","0.71073","MoKα","","0.0406","0.0356","","","0.0933","0.0966","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515639","28.1055","0.0004","28.1055","0.0004","19.1669","0.0006","90","","90","","120","","13111.9","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C132 H126 In8 N84 O39.67 -","- C132 H126 In8 N83.98 O39.96 -","- C396 H378 In24 N251.94 O119.88 -","3","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.086","0.058","","","0.1352","0.1526","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515640","20.3067","0.0009","18.7195","0.0008","24.9104","0.001","90","","93.182","0.001","90","","9454.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C135 H175 Co8 N73 O56 S6 -","- C135 H175 Co8 N73 O55.76 S6 -","- C270 H350 Co16 N146 O111.52 S12 -","2","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1367","0.0737","","","0.1794","0.2098","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515641","8.623","","10.307","","10.493","","104.88","","92.7","","101.67","","877.838","","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf3a","","","- C11 H20 Cl2 Fe0.5 N3 O2 Re0.5 -","- C11 H20 Cl2 Fe0.5 N3 O2 Re0.5 -","- C22 H40 Cl4 Fe N6 O4 Re -","2","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0259","0.0253","","","0.0676","0.0699","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515642","8.9348","0.0006","10.504","0.0007","14.0627","0.001","68.984","0.004","77.296","0.004","85.408","0.004","1201.85","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf9a","","","- C38 H72 Cl4 Fe N6 O4 Re -","- C38 H72 Cl4 Fe N6 O4 Re -","- C38 H72 Cl4 Fe N6 O4 Re -","1","0.5","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","1.54178","CuKα","","0.0566","0.054","","","0.1395","0.1417","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515643","10.778","","12.316","","14.407","","90","","107.01","","90","","1828.75","","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","xwf22a","","","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","4","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0644","0.0531","","","0.134","0.1425","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515644","9.465","","9.976","","10.631","","108.44","","109.42","","106.27","","810.526","","103","2","103","2","","","","","","","","7","P -1","-P 1","2","xwf-17","","","- C11 H22 Cl2 Fe0.5 N3 O2 Re0.5 -","- C11 H22 Cl2 Fe0.5 N3 O2 Re0.5 -","- C22 H44 Cl4 Fe N6 O4 Re -","2","1","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0291","0.0286","","","0.0769","0.0783","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515645","13.3667","0.0017","13.3667","0.0017","10.7152","0.0013","90","","90","","90","","1914.5","0.4","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","xwf23a","","","- C26 H52 Cl4 Fe N6 O4 Re -","- C26 H52 Cl4 Fe N6 O4 Re -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","2","0.25","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0341","0.0291","","","0.0731","0.0764","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515646","8.3338","0.0007","25.68","0.002","15.2004","0.0012","90","","90","","90","","3253.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33.25 H37.25 Cl1.5 N2 O4 Si -","- C33 H37 Cl N2 O4 Si -","- C132 H148 Cl4 N8 O16 Si4 -","4","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","0.71073","MoKα","","0.0927","0.0605","","","0.148","0.1668","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515647","8.4645","0.0018","9.265","0.002","13.88","0.003","101.3","0.015","98.534","0.014","106.22","0.014","1000.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","0.71073","MoKα","","0.1916","0.0895","","","0.1646","0.1873","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515648","6.4713","0.0002","12.2439","0.0003","21.5133","0.0006","90","","90","","90","","1704.58","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","1.54178","CuKα","","0.0257","0.0256","","","0.0695","0.0696","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515649","10.577","0.002","10.715","0.002","13.367","0.003","106.03","0.03","90.59","0.04","105.44","0.02","1397.7","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H58 N O18 Ru3 S6 -","- C50 H58 N O18 Ru3 S6 -","- C50 H58 N O18 Ru3 S6 -","1","0.5","","Lai-Fung Chan, Sharon; Wai-Yin Sun, Raymond; Choi, Mei-Yuk; Zeng, Yibo; Shek, Lam; Sin-Yin Chui, Stephen; Che, Chi-Ming","An anti-cancer trinuclear ruthenium(iii) complex with 2-thiosalicylate ligands attenuates Wnt-β-catenin signaling","Chemical Science","2011","2","9","1788","","10.1039/c1sc00203a","","","0.71073","MoKα","","0.0317","0.0279","","","0.0754","0.0782","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515650","11.2346","0.0002","7.9046","0.0002","14.0597","0.0003","90","","94.892","0.001","90","","1244.02","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H22 Cl N O5 S2 -","- C27 H22 Cl N O5 S2 -","- C54 H44 Cl2 N2 O10 S4 -","2","1","","Atienza, Roxanne L.; Roth, Howard S.; Scheidt, Karl A.","N-heterocyclic carbene-catalyzed rearrangements of vinyl sulfones.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1772","1776","10.1039/C1SC00194A","","","0.71073","MoKα","","0.0634","0.0404","","","0.0764","0.0947","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515651","22.3613","0.0006","22.3613","0.0006","8.7343","0.0003","90","","90","","90","","4367.4","0.2","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.042","0.0383","","","0.1005","0.1043","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515652","9.1677","0.0001","11.1135","0.0002","13.3821","0.0002","68.696","0.001","78.909","0.001","81.699","0.001","1242.4","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 B F10 N -","- C27 H22 B F10 N -","- C54 H44 B2 F20 N2 -","2","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0466","0.045","","","0.1171","0.1184","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515653","18.5936","0.0009","9.2952","0.0006","26.1791","0.0017","90","","104.988","0.003","90","","4370.6","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 B F10 N -","- C23 H20 B F10 N -","- C184 H160 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.1085","0.0581","","","0.1251","0.1434","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515654","13.6638","0.0003","16.1258","0.0005","16.855","0.0006","90","","111.633","0.001","90","","3452.24","0.18","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 B F10 N -","- C38 H34 B F10 N -","- C152 H136 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0627","0.0546","","","0.1508","0.1589","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515655","18.8907","0.0006","17.3259","0.0006","16.9954","0.0006","90","","105.094","0.003","90","","5370.7","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 B F10 N -","- C28 H28 B F10 N -","- C224 H224 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0463","0.0409","","","0.1093","0.1143","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515656","8.9726","0.0004","13.4786","0.0006","24.6543","0.0017","90","","93.952","0.004","90","","2974.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 B F10 N -","- C33 H24 B F10 N -","- C132 H96 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0855","0.0501","","","0.1222","0.1557","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515657","17.8309","0.0007","21.5961","0.001","12.2832","0.0003","90","","90","","90","","4730","0.3","223","2","223","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C25 H20 B F10 N -","- C25 H20 B F10 N -","- C200 H160 B8 F80 N8 -","8","","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0413","0.038","","","0.0984","0.1023","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515658","12.1379","0.0004","14.0463","0.0005","13.5423","0.0005","90","","105.934","0.002","90","","2220.15","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B F10 N -","- C23 H22 B F10 N -","- C92 H88 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0395","0.0366","","","0.0967","0.0996","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515659","10.9724","0.0004","11.3362","0.0005","16.996","0.0007","90","","90","","90","","2114.05","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 B F10 N -","- C22 H20 B F10 N -","- C88 H80 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0397","0.0367","","","0.0893","0.0917","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515660","9.428","0.0004","11.0909","0.0006","14.6744","0.0008","108.637","0.003","96.263","0.003","105.831","0.002","1366.01","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 B F10 N O -","- C30 H26 B F10 N O -","- C60 H52 B2 F20 N2 O2 -","2","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0516","0.0442","","","0.1077","0.1137","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515661","20.3695","0.0008","9.2993","0.0007","21.591","0.001","90","","114.314","0.002","90","","3727.1","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 B F10 N O -","- C43 H38 B F10 N O -","- C172 H152 B4 F40 N4 O4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0828","0.0539","","","0.1336","0.1574","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515662","12.363","0.005","6.388","0.003","17.867","0.008","90","","98.728","0.004","90","","1394.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","2","","Li, Hui; Zhang, Fu-Min; Tu, Yong-Qiang; Zhang, Qing-Wei; Chen, Zhi-Min; Chen, Zhi-Hua; Li, Jian","Enantioselective bromination/semipinacol rearrangement for the synthesis of β-bromoketones containing an all-α-carbon quaternary center","Chemical Science","2011","2","9","1839","","10.1039/c1sc00295c","","","0.71073","MoKα","","0.0925","0.0473","","","0.0779","0.0901","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515663","11.0022","0.0005","11.7354","0.0006","18.0634","0.001","90.254","0.003","94.779","0.003","117.609","0.003","2057.05","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H126 N6 O2 Si12 U2 -","- C56 H126 N6 O2 Si12 U2 -","- C56 H126 N6 O2 Si12 U2 -","1","0.5","","Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.","Carbon monoxide coupling and functionalisation at a simple uranium coordination complex","Chemical Science","2011","2","1","77","","10.1039/c0sc00452a","","","0.71073","MoKα","","0.0314","0.0295","","","0.0659","0.0666","","","","","","1.204","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515664","30.0251","0.0006","15.6531","0.0003","22.4759","0.0004","90","","103.691","0.002","90","","10263.2","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H162 N9 O3 Si18 U3 -","- C57 H162 N9 O3 Si18 U3 -","- C228 H648 N36 O12 Si72 U12 -","4","1","","Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.","Carbon monoxide coupling and functionalisation at a simple uranium coordination complex","Chemical Science","2011","2","1","77","","10.1039/c0sc00452a","","","0.7107","MoKα","","0.1118","0.0654","","","0.164","0.1752","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515665","36.218","0.007","12.304","0.003","31.224","0.01","90","","122.397","0.005","90","","11749","5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 B F20 N2 O2 P Zr -","- C57 H60 B F20 N2 O2 P Zr -","- C456 H480 B8 F160 N16 O16 P8 Zr8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.1266","0.0587","","","0.1238","0.1425","","","","","","0.996","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515666","11.6507","0.0006","13.7877","0.0006","19.5448","0.0008","90","","90","","90","","3139.6","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B F12 N2 O P -","- C30 H30 B F12 N2 O P -","- C120 H120 B4 F48 N8 O4 P4 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0485","0.0367","","","0.0803","0.0856","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515667","11.691","0.0005","12.8326","0.0005","13.5442","0.0006","63.637","0.002","88.082","0.002","72.341","0.002","1722.62","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 B2 F24 N4 O2 P2 -","- C60 H66 B2 F24 N4 O2 P2 -","- C60 H66 B2 F24 N4 O2 P2 -","1","0.5","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0664","0.0477","","","0.1264","0.1337","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515668","19.5019","0.001","16.3963","0.0007","21.7273","0.0011","90","","90","","90","","6947.5","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 B F12 N2 O P -","- C36 H36 B F12 N2 O P -","- C288 H288 B8 F96 N16 O8 P8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0768","0.0421","","","0.0894","0.1042","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515669","9.5346","0.0005","21.1476","0.0009","17.6877","0.0008","90","","102.604","0.001","90","","3480.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 B Cl F3 O P2 -","- C37 H47 B Cl F3 O P2 -","- C148 H188 B4 Cl4 F12 O4 P8 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.06","0.0437","","","0.1075","0.1165","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515670","12.3838","0.0003","12.5415","0.0003","18.4913","0.0005","94.703","0.001","103.546","0.001","101.734","0.001","2708.21","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H42 B F20 N2 O P -","- C55 H42 B F20 N2 O P -","- C110 H84 B2 F40 N4 O2 P2 -","2","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0659","0.0423","","","0.101","0.108","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515671","15.6655","0.0007","12.5681","0.0006","21.5094","0.001","90","","93.812","0.002","90","","4225.5","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 B F15 N2 O P Zr -","- C42 H43 B F15 N2 O P Zr -","- C168 H172 B4 F60 N8 O4 P4 Zr4 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.1077","0.0576","","","0.13","0.149","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515672","39.2048","0.0018","39.2048","0.0018","39.2048","0.0018","90","","90","","90","","60258","5","173","2","173","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C120 H60 Cd13 O66 S24 -","- C120 H24 Cd13 O66 S24 -","- C960 H192 Cd104 O528 S192 -","8","0.0416667","","Yuan, Daqiang; Zhao, Dan; Timmons, Daren J.; Zhou, Hong-Cai","A stepwise transition from microporosity to mesoporosity in metal‒organic frameworks by thermal treatment","Chemical Science","2011","2","1","103","","10.1039/c0sc00320d","","","0.71073","MoKα","","0.073","0.0648","","","0.1561","0.1621","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515673","13.668","0.0006","12.3175","0.0006","24.2737","0.0012","90","","100.887","0.002","90","","4013.1","0.3","173","","173","","","","","","","","LOC ETH Zurich","4","P 1 21/n 1","-P 2yn","14","","","","- C40.25 H36.5 Cl0.5 N10 -","- C40.25 H36.5 Cl0.5 N10 -","- C161 H146 Cl2 N40 -","4","1","","Breiten, Benjamin; Wu, Yi-Lin; Jarowski, Peter D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Griesser, Markus; Onitsch, Christine; Gescheidt, Georg; Schweizer, W. Bernd; Langer, Nicolle; Lennartz, Christian; Diederich, François","Donor-substituted octacyano[4]dendralenes: a new class of cyano-rich non-planar organic acceptors","Chemical Science","2011","2","1","88","","10.1039/c0sc00387e","","","0.71073","MoKα","","0.1311","0.0746","","","0.1737","0.207","","","","","","1.053","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515674","14.1265","0.0002","21.8947","0.0004","15.3826","0.0003","90","","93.6655","0.0009","90","","4748.04","0.14","123","","123","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 N10 -","- C52 H60 N10 -","- C208 H240 N40 -","4","1","","Breiten, Benjamin; Wu, Yi-Lin; Jarowski, Peter D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Griesser, Markus; Onitsch, Christine; Gescheidt, Georg; Schweizer, W. Bernd; Langer, Nicolle; Lennartz, Christian; Diederich, François","Donor-substituted octacyano[4]dendralenes: a new class of cyano-rich non-planar organic acceptors","Chemical Science","2011","2","1","88","","10.1039/c0sc00387e","","","0.71073","MoKα","","0.0949","0.0642","","","0.1729","0.1966","","","","","","1.155","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515675","6.9683","0.0013","21.374","0.004","12.566","0.003","90","","91.091","0.001","90","","1871.2","0.7","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O5 S -","- C19 H22 N2 O5 S -","- C76 H88 N8 O20 S4 -","4","1","","Stoll, Armin H.; Blakey, Simon B.","Rhodium catalyzed allene amidation: a facile entry into 2-amidoallylcations for unusual [3 + 3] annulation reactions","Chemical Science","2011","2","1","112","","10.1039/c0sc00375a","","","0.71073","MoKα","","0.0748","0.0471","","","0.1119","0.1252","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515676","12.6837","0.0003","8.7119","0.0003","13.9765","0.0004","90","","110.965","0.001","90","","1442.15","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N O5 S -","- C11 H19 N O5 S -","- C44 H76 N4 O20 S4 -","4","1","","Stoll, Armin H.; Blakey, Simon B.","Rhodium catalyzed allene amidation: a facile entry into 2-amidoallylcations for unusual [3 + 3] annulation reactions","Chemical Science","2011","2","1","112","","10.1039/c0sc00375a","","","1.54178","CuKα","","0.0692","0.065","","","0.1919","0.1965","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515677","35.8601","0.0011","6.0216","0.0002","23.1924","0.0006","90","","111.979","0.001","90","","4644.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H29.5 Cl1.5 N O2 S -","- C25.5 H29.5 Cl1.5 N O2 S -","- C204 H236 Cl12 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.077","0.0592","","","0.1641","0.1786","","","","","","1.053","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515678","8.962","0.0007","10.4716","0.0007","12.3795","0.001","90","","100.903","0.003","90","","1140.8","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C56 H58 N2 O4 S2 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0493","0.0432","","","0.1153","0.1227","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515679","13.6368","0.0012","7.9693","0.0008","21.253","0.0017","90","","97.724","0.002","90","","2288.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O2 S -","- C27 H27 N O2 S -","- C108 H108 N4 O8 S4 -","4","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0563","0.0483","","","0.1327","0.1393","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515680","52.0309","0.0019","6.2004","0.0002","16.2321","0.0006","90","","98.15","0.002","90","","5183.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N O2 S -","- C33 H31 N O2 S -","- C264 H248 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0464","0.0396","","","0.1089","0.1219","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515681","34.3459","0.0017","11.0908","0.0006","12.4392","0.0005","90","","90","","90","","4738.4","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C224 H232 N8 O16 S8 -","8","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0676","0.048","","","0.126","0.1386","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515682","10.0661","0.0009","11.2303","0.0012","12.7093","0.0012","108.467","0.005","92.142","0.005","102.893","0.005","1319.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 O4 S2 -","- C32 H32 O4 S2 -","- C64 H64 O8 S4 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.0495","0.0412","","","0.1105","0.1158","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515683","10.7285","0.0012","10.9833","0.0012","13.0463","0.0012","111.389","0.005","92.772","0.005","103.536","0.006","1376.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 O4 S2 -","- C33 H34 O4 S2 -","- C66 H68 O8 S4 -","2","1","","Pérez-Galán, Patricia; Herrero-Gómez, Elena; Hog, Daniel T.; Martin, Nolwenn J. A.; Maseras, Feliu; Echavarren, Antonio M.","Mechanism of the gold-catalyzed cyclopropanation of alkenes with 1,6-enynes","Chemical Science","2011","2","1","141","","10.1039/c0sc00335b","","","0.71073","MoKα","","0.1108","0.0729","","","0.1838","0.21","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515684","35.624","0.0018","20.7297","0.001","25.0866","0.0013","90","","101.416","0.001","90","","18159.3","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Gd8 N4 O73 P8 -","- C112 H222 Co8 Gd8 N4 O73 P8 -","- C448 H888 Co32 Gd32 N16 O292 P32 -","4","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.1258","0.0815","","","0.1849","0.2154","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515685","22.622","0.003","11.63","0.0017","30.189","0.004","90","","97.612","0.002","90","","7872.5","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H198 Co8 Gd4 O50 P6 -","- C104 H198 Co8 Gd4 O50 P6 -","- C208 H396 Co16 Gd8 O100 P12 -","2","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.2075","0.1227","","","0.271","0.319","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515686","13.55","0.0013","29.003","0.003","18.2506","0.0017","90","","97.588","0.002","90","","7109.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H174 Co4 Gd6 N2 O46 P6 -","- C116 H174 Co4 Gd6 N2 O46 P6 -","- C232 H348 Co8 Gd12 N4 O92 P12 -","2","0.5","","Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.","Co‒Gd phosphonate complexes as magnetic refrigerants","Chemical Science","2011","2","1","99","","10.1039/c0sc00371a","","","0.71073","MoKα","","0.0804","0.066","","","0.1776","0.1909","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515687","14.7192","0.0007","20.6103","0.0009","21.1775","0.0009","90","","90","","90","","6424.6","0.5","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H88 Cl2 N8 O5 Zr2 -","- C64 H88 Cl2 N8 O5 Zr2 -","- C256 H352 Cl8 N32 O20 Zr8 -","4","1","","Nguyen, Andy I.; Zarkesh, Ryan A.; Lacy, David C.; Thorson, Megan K.; Heyduk, Alan F.","Catalytic nitrene transfer by a zirconium(iv) redox-active ligand complex","Chemical Science","2011","2","1","166","","10.1039/c0sc00414f","","","0.71073","MoKα","","0.0518","0.0376","","","0.0829","0.0892","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515688","19.6876","0.0005","18.0489","0.0004","24.2236","0.0007","90","","104.85","0.0009","90","","8320.1","0.4","123.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H50 B2 F48 Pt3 -","- C84 H50 B2 F48 Pt3 -","- C336 H200 B8 F192 Pt12 -","4","0.5","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0525","","","","0.1717","","","","","","1.202","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515689","27.639","0.003","14.661","0.002","17.671","0.002","90","","103.616","0.002","90","","6959.3","1.4","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H70 B F4 N P4 Pt2 -","- C81 H60 B F4 N P4 Pt2 -","- C324 H240 B4 F16 N4 P16 Pt8 -","4","0.5","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0494","","","","0.1489","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515690","13.742","0.001","20.974","0.002","14.377","0.002","90","","99.419","0.003","90","","4087.9","0.8","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 B F4 P2 Pt -","- C49 H27 B F4 P2 Pt -","- C196 H108 B4 F16 P8 Pt4 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0767","","","","0.2191","","","","","","1.288","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515691","12.3189","0.0005","15.2911","0.0006","16.4704","0.0005","97.219","0.001","90.674","0.001","105.503","0.001","2962.6","0.19","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H41 B Cl2 F30 Pt3 -","- C60 H41 B Cl2 F30 Pt3 -","- C120 H82 B2 Cl4 F60 Pt6 -","2","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0561","","","","0.1575","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515692","11.4558","0.0004","19.1713","0.0007","25.517","0.001","90","","103.809","0.001","90","","5442.1","0.3","123.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H39 B F24 Pt3 -","- C56 H39 B F24 Pt3 -","- C224 H156 B4 F96 Pt12 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0454","","","","0.0563","","","","","","1.079","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515693","11.8469","0.0007","8.7118","0.0005","28.9529","0.0017","90","","90","","90","","2988.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 N2 O12 Zn -","- C28 H36 N2 O12 Zn -","- C112 H144 N8 O48 Zn4 -","4","0.5","","Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota","Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates.","Metallomics : integrated biometal science","2011","3","7","675","679","10.1039/c1mt00009h","","","0.71073","MoKα","","0.0483","0.0333","","","0.0889","0.1041","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515694","22.508","0.003","5.9232","0.0007","22.328","0.003","90","","101.252","0.005","90","","2919.5","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O Ru -","- C19 H15 N O Ru -","- C152 H120 N8 O8 Ru8 -","8","2","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.1236","0.0833","","","0.1927","0.2236","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515695","17.4825","0.0005","7.342","0.0002","23.1152","0.0007","90","","90","","90","","2966.99","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N O -","- C20 H17 Fe N O -","- C160 H136 Fe8 N8 O8 -","8","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.1399","0.0871","","","0.1426","0.166","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515696","30.9574","0.0011","16.257","0.0004","7.4078","0.0003","90","","101.757","0.002","90","","3649.9","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Br Fe N O -","- C19 H14 Br Fe N O -","- C152 H112 Br8 Fe8 N8 O8 -","8","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.0891","0.0645","","","0.122","0.1326","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515697","6.0028","0.0002","21.513","0.0012","11.3488","0.0005","90","","93.01","0.003","90","","1463.54","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C76 H68 Fe4 N4 O4 -","4","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.0711","0.0505","","","0.1147","0.1257","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515698","10.9976","0.0007","11.9803","0.0007","12.8925","0.0008","82.679","0.001","79.518","0.001","73.741","0.001","1598.22","0.17","296","2","296","2","","","","","","","synthesized new Ru(II) complex","6","P -1","-P 1","2","FAB 302","Ru(II)-monoarene-thiosemicarbazide complex","","- C28 H31 Cl2 N3 Ru S -","- C28 H31 Cl2 N3 Ru S -","- C56 H62 Cl4 N6 Ru2 S2 -","2","1","","Beckford, Floyd; Thessing, Jeffrey; Woods, Jason; Didion, Jacob; Gerasimchuk, Nikolay; Gonzalez-Sarrias, Antonio; Seeram, Navindra P.","Synthesis and structure of [(η(6)-p-cymene)Ru(2-anthracen-9-ylmethylene-N-ethylhydrazinecarbothioamide)Cl]Cl; biological evaluation, topoisomerase II inhibition and reaction with DNA and human serum albumin.","Metallomics : integrated biometal science","2011","3","5","491","502","10.1039/c1mt00003a","","","0.71073","MoKα","","0.0299","0.0247","","","0.0638","0.0659","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515699","25.792","0.003","8.6974","0.0009","21.213","0.002","90","","111.142","0.002","90","","4438.3","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 N8 O4 P Ru S2 -","- C44 H52 N8 O4 P Ru S2 -","- C176 H208 N32 O16 P4 Ru4 S8 -","4","1","","Prabhakaran, R.; Kalaivani, P.; Jayakumar, R.; Zeller, M.; Hunter, A. D.; Renukadevi, S. V.; Ramachandran, E.; Natarajan, K.","Synthesis, structure and biological evaluation of bis salicylaldehyde-4(N)-ethylthiosemicarbazone ruthenium(iii) triphenylphosphine.","Metallomics : integrated biometal science","2011","3","1","42","48","10.1039/c0mt00062k","","","0.71073","MoKα","","0.1212","0.0908","","","0.176","0.1875","","","","","","1.203","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515700","7.082","0.0002","15.9788","0.0003","13.7653","0.0003","90","","90.326","0.002","90","","1557.68","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Br N3 O -","- C16 H16 Br N3 O -","- C64 H64 Br4 N12 O4 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","0.71073","MoKα","","0.0317","0.0271","","","0.0664","0.0688","","","","","","1.04","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515701","9.9811","0.0003","10.0794","0.0004","11.7361","0.0003","67.423","0.003","82.718","0.003","76.645","0.003","1059.77","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Br N2 O -","- C23 H25 Br N2 O -","- C46 H50 Br2 N4 O2 -","2","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0366","0.0349","","","0.1016","0.1032","","","","","","1.062","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515702","7.269","0.00004","12.62118","0.00006","23.4502","0.0001","90","","97.0346","0.0005","90","","2135.21","0.018","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Br N4 -","- C25 H21 Br N4 -","- C100 H84 Br4 N16 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0235","0.022","","","0.0593","0.0601","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515703","4.40268","0.00004","16.737","0.0002","21.1545","0.0002","90","","91.612","0.001","90","","1558.21","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag Cl2 N3 O2 -","- C14 H12 Ag Cl2 N3 O2 -","- C56 H48 Ag4 Cl8 N12 O8 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0393","0.0384","","","0.0893","0.0897","","","","","","1.167","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515704","15.3823","0.0001","7.83949","0.00007","19.8044","0.0002","90","","96.7996","0.0007","90","","2371.4","0.04","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H23 Ag N4 O2 -","- C27 H23 Ag N4 O2 -","- C108 H92 Ag4 N16 O8 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0406","0.0377","","","0.1022","0.1048","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515705","23.9368","0.0007","9.5997","0.0002","25.2845","0.0007","90","","119.297","0.004","90","","5066.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 Ag2 N4 O4 -","- C62 H54 Ag2 N4 O4 -","- C248 H216 Ag8 N16 O16 -","4","0.5","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0273","0.0233","","","0.0551","0.0564","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515706","11.7885","0.0003","47.3901","0.0008","7.8129","0.0002","90","","99.281","0.002","90","","4307.6","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Ag N2 O2 -","- C25 H25 Ag N2 O2 -","- C200 H200 Ag8 N16 O16 -","8","2","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0533","0.0518","","","0.101","0.1015","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515707","3.7976","0.0001","8.3908","0.0003","9.0986","0.0003","72.193","0.002","78.465","0.002","89.756","0.002","269.958","0.015","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H8 N2 -","- C16 H8 N2 -","- C16 H8 N2 -","1","0.5","","Xiao, Jinchong; Yin, Zongyou; Yang, Bo; Liu, Yi; Ji, Li; Guo, Jun; Huang, Ling; Liu, Xuewei; Yan, Qingyu; Zhang, Hua; Zhang, Qichun","Preparation, characterization, physical properties, and photoconducting behaviour of anthracene derivative nanowires.","Nanoscale","2011","3","11","4720","4723","10.1039/c1nr10655d","","","0.71073","MoKα","","0.0969","0.0534","","","0.1449","0.1814","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515708","11.979","0.013","7.958","0.008","15.235","0.016","90","","104.894","0.013","90","","1404","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Kikuchi, Azusa; Saito, Haruo; Mori, Masao; Yagi, Mikio","Photoexcited triplet states of new UV absorbers, cinnamic acid 2-methylphenyl esters.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","12","1902","1909","10.1039/c1pp05168g","","","0.71073","MoKα","","0.0381","0.0315","","","0.0805","0.0856","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515709","9.935","0.005","23.9","0.005","13.513","0.005","90","0.005","103.184","0.005","90","0.005","3124","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 B F2 N3 -","- C17 H16 B F2 N3 -","- C136 H128 B8 F16 N24 -","8","2","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71069","MoKα","","0.0569","0.0391","","","0.0944","0.1063","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515710","10.8454","0.001","11.8897","0.0011","13.999","0.0013","90","","105.262","0.001","90","","1741.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 B F2 N3 -","- C19 H20 B F2 N3 -","- C76 H80 B4 F8 N12 -","4","1","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71073","MoKα","","0.0836","0.0434","","","0.087","0.0987","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515711","11.882","0.003","8.409","0.002","44.412","0.01","90","","91.766","0.004","90","","4435.4","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 B F2 N2 O0 -","- C20 H21 B F2 N2 -","- C200 H210 B10 F20 N20 -","10","5","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71073","MoKα","","0.1302","0.0754","","","0.1882","0.2155","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515712","6.554","0.003","26.198","0.011","9.732","0.004","90","","105.458","0.008","90","","1610.6","1.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 B F2 N2 O0 -","- C18 H17 B F2 N2 -","- C72 H68 B4 F8 N8 -","4","0.5","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71073","MoKα","","0.082","0.0445","","","0.1031","0.1208","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515713","6.4804","0.0007","8.3217","0.0009","14.6304","0.0016","80.583","0.002","84.666","0.002","85.576","0.002","773.44","0.15","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 B F2 N3 O2 -","- C17 H14 B F2 N3 O2 -","- C34 H28 B2 F4 N6 O4 -","2","1","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","0.71073","MoKα","","0.0445","0.0376","","","0.1034","0.1102","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515714","8.3449","0.0007","11.6005","0.0008","12.081","0.0008","100.343","0.006","97.027","0.006","111.076","0.007","1051.05","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H15 B Cl2 F2 N3 O2 -","- C20 H20 B Cl2 F2 N3 O2 -","- C40 H40 B2 Cl4 F4 N6 O4 -","2","1","","Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang","Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","1030","1038","10.1039/c1pp00001b","","","1.54184","CuKα","","0.0784","0.0643","","","0.1719","0.1953","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515715","7.0919","0.0005","10.1566","0.0007","10.9322","0.0007","69.8118","0.0009","82.7066","0.001","79.1375","0.001","724.18","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl N O3 -","- C13 H18 Cl N O3 -","- C26 H36 Cl2 N2 O6 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0604","0.055","","","0.1553","0.1626","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515716","8.7901","0.0005","7.8","0.0004","19.3873","0.001","90","","96.962","0.001","90","","1319.45","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0516","0.0436","","","0.1183","0.1271","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515717","7.4124","0.0003","9.5475","0.0004","12.201","0.0005","80.0619","0.0006","82.0762","0.0006","75.3538","0.0006","818.84","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Cl F3 N O3 -","- C14 H17 Cl F3 N O3 -","- C28 H34 Cl2 F6 N2 O6 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0512","0.0485","","","0.1336","0.1368","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515718","4.9487","0.0003","7.8558","0.0004","16.9993","0.0009","96.3056","0.0008","91.9793","0.0008","93.8669","0.0008","654.78","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Cl3 N -","- C13 H10 Cl3 N -","- C26 H20 Cl6 N2 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0635","0.0593","","","0.1463","0.1497","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515719","8.3749","0.0005","8.3985","0.0005","10.2024","0.0007","66.606","0.0008","71.9947","0.0009","84.0524","0.0009","626.21","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 Cl F5 N -","- C13 H7 Cl F5 N -","- C26 H14 Cl2 F10 N2 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0628","0.0565","","","0.1532","0.1575","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515720","5.8613","0.0004","9.2231","0.0006","10.9709","0.0007","71.39","0.0009","85.3708","0.0009","80.5834","0.0009","554.24","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H6 F5 N -","- C13 H6 F5 N -","- C26 H12 F10 N2 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0613","0.0477","","","0.1394","0.1545","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515721","7.0809","0.0004","9.6992","0.0006","22.3919","0.0014","90","","98.417","0.001","90","","1521.29","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl F N O2.5 -","- C13 H17 Cl F N O2.5 -","- C52 H68 Cl4 F4 N4 O10 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.122","0.1094","","","0.3589","0.3869","","","","","","1.717","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515722","7.5432","0.0006","11.7934","0.0009","11.8041","0.0009","90","","90","","90","","1050.09","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 F N -","- C13 H10 F N -","- C52 H40 F4 N4 -","4","0.5","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.06","0.0486","","","0.1263","0.1376","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515723","7.6093","0.0005","9.1045","0.0005","10.7778","0.0006","102.503","0.0008","101.836","0.0009","92.2888","0.0009","710.68","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cl2 N O2 -","- C13 H15 Cl2 N O2 -","- C26 H30 Cl4 N2 O4 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0537","0.0453","","","0.1339","0.1439","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515724","9.6675","0.0006","13.8938","0.0008","16.3247","0.0009","90","","94.2639","0.0008","90","","2186.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl2 N2 -","- C26 H20 Cl2 N2 -","- C104 H80 Cl8 N8 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0682","0.0463","","","0.1127","0.125","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515725","8.0476","0.0005","9.7384","0.0006","9.9178","0.0006","99.575","0.001","98.575","0.001","108.029","0.001","711.93","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Br Cl N O2 -","- C13 H15 Br Cl N O2 -","- C26 H30 Br2 Cl2 N2 O4 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0439","0.0406","","","0.11","0.1124","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515726","9.8477","0.0005","9.4161","0.0005","24.1091","0.0012","90","","90.2071","0.0009","90","","2235.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br2 N2 -","- C26 H20 Br2 N2 -","- C104 H80 Br8 N8 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0696","0.0432","","","0.107","0.1203","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515727","8.0309","0.0003","9.9249","0.0004","10.0973","0.0004","97.9228","0.0005","99.416","0.0005","108.999","0.0005","734.79","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl I N O2 -","- C13 H15 Cl I N O2 -","- C26 H30 Cl2 I2 N2 O4 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.029","0.0277","","","0.0758","0.0768","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515728","9.5861","0.0004","9.7404","0.0004","24.7898","0.001","90","","90.1197","0.0007","90","","2314.68","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 I2 N2 -","- C26 H20 I2 N2 -","- C104 H80 I8 N8 -","4","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.057","0.0386","","","0.0975","0.1088","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515729","9.4503","0.0004","12.2691","0.0005","21.724","0.0009","78.4586","0.0006","86.8176","0.0006","84.1447","0.0006","2453.43","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 Cl4 N3 O11 -","- C42 H58 Cl4 N3 O11 -","- C84 H116 Cl8 N6 O22 -","2","1","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.0573","0.0451","","","0.1201","0.1304","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515730","9.4338","0.0012","9.8839","0.0013","10.8606","0.0014","84.048","0.001","85.702","0.001","77.071","0.001","980.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O -","- C27 H22 O -","- C54 H44 O2 -","2","1","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.049","0.0399","","","0.1003","0.1069","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515731","16.115","0.003","14.052","0.003","7.509","0.001","90","","92.18","0.01","90","","1699.2","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.1014","0.038","","","0.0554","0.063","","","","","","0.781","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515732","16.034","0.002","8.5909","0.0007","15.611","0.002","90","","119.895","0.006","90","","1864.2","0.4","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H24 O -","- C24 H24 O -","- C96 H96 O4 -","4","1","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.0365","0.0321","","","0.0752","0.0764","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515733","17.1668","0.0014","25.851","0.002","16.076","0.0013","90","","90","","90","","7134.2","1","173","2","173","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C23 H22 O -","- C23 H22 O -","- C368 H352 O16 -","16","","","Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A","Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","11","1731","1734","10.1039/c1pp05240c","","","0.71073","MoKα","","0.0747","0.0386","","","0.0536","0.059","","","","","","0.825","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515734","8.154","0.002","7.971","0.002","12.393","0.003","90","","104.93","0.003","90","","778.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Shiraki, Saori; Natarajan, Arunkumar; Garcia-Garibay, Miguel A","The synthesis and stereospecific solid-state photodecarbonylation of hexasubstituted meso- and d,l-ketones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1480","1487","10.1039/c1pp05080j","","","0.71073","MoKα","","0.0325","0.0305","","","0.0789","0.0803","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515735","7.3178","0.0014","14.158","0.003","17.191","0.003","90","","96.227","0.002","90","","1770.6","0.6","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C84 H80 N8 O4 -","4","1","","Shiraki, Saori; Natarajan, Arunkumar; Garcia-Garibay, Miguel A","The synthesis and stereospecific solid-state photodecarbonylation of hexasubstituted meso- and d,l-ketones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1480","1487","10.1039/c1pp05080j","","","0.71073","MoKα","","0.0482","0.0394","","","0.0951","0.1013","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515736","8.7219","0.0013","14.862","0.002","12.6513","0.0018","90","","99.836","0.002","90","","1615.8","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H25 N O -","- C17 H25 N O -","- C68 H100 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","0.71073","MoKα","","0.0497","0.0416","","","0.1134","0.1215","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515737","11.2894","0.0003","8.7386","0.0002","17.1678","0.0004","90","","105.623","0.001","90","","1631.09","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O -","- C19 H27 N O -","- C76 H108 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","1.54178","CuKα","","0.0371","0.036","","","0.0911","0.092","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515738","8.7688","0.001","11.3647","0.0014","17.512","0.002","90","","90","","90","","1745.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O -","- C20 H29 N O -","- C80 H116 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","1.54178","CuKα","","0.0266","0.0261","","","0.0701","0.0705","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515739","8.7698","0.0005","11.3683","0.0007","17.5191","0.001","90","","90","","90","","1746.61","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O -","- C20 H29 N O -","- C80 H116 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","1.54178","CuKα","","0.0259","0.0253","","","0.0651","0.0656","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515740","12.8295","0.0014","14.5618","0.0016","14.334","0.0015","90","","95.724","0.005","90","","2664.5","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C120 H112 N8 O16 S8 -","4","0.5","","Atkinson, Manza B. J.; Sokolov, Anatoliy N.; Bučar, Dejan-Krešimir; Mariappan, S. V. Santhana; Mwangi, Martin T.; Tiedman, Michael C.; MacGillivray, Leonard R.","Applications of hydrogen-bond-acceptor templates to direct 'in-phase' reactivity of a diene diacid in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1384","1386","10.1039/c1pp05077j","","","0.71073","MoKα","","0.047","0.0361","","","0.0946","0.099","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515741","14.5252","0.0016","6.963","0.0008","23.665","0.003","90","","102.029","0.005","90","","2340.9","0.5","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C112 H96 N8 O16 -","4","1","","Atkinson, Manza B. J.; Sokolov, Anatoliy N.; Bučar, Dejan-Krešimir; Mariappan, S. V. Santhana; Mwangi, Martin T.; Tiedman, Michael C.; MacGillivray, Leonard R.","Applications of hydrogen-bond-acceptor templates to direct 'in-phase' reactivity of a diene diacid in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1384","1386","10.1039/c1pp05077j","","","0.71073","MoKα","","0.0597","0.0394","","","0.0994","0.1078","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515742","31.686","0.004","9.6115","0.0011","29.601","0.003","90","","93.685","0.005","90","","8996.3","1.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 N4 O8 -","- C56 H48 N4 O8 -","- C448 H384 N32 O64 -","8","1","","Atkinson, Manza B. J.; Sokolov, Anatoliy N.; Bučar, Dejan-Krešimir; Mariappan, S. V. Santhana; Mwangi, Martin T.; Tiedman, Michael C.; MacGillivray, Leonard R.","Applications of hydrogen-bond-acceptor templates to direct 'in-phase' reactivity of a diene diacid in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1384","1386","10.1039/c1pp05077j","","","0.71073","MoKα","","0.0963","0.0579","","","0.1483","0.1634","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515743","11.8","0.03","6.73","0.01","16.57","0.05","90","","105.29","0.07","90","","1269","5","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Maeda, Hajime; Chiyonobu, Kazuhiko; Mizuno, Kazuhiko","Hydrogen-bonding directed, regioselective photocycloaddition reactions of cyanonaphthalenes with furanmethanols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1445","1449","10.1039/c1pp05060e","","","0.7107","MoKα","","","0.081","","","","0.077","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515744","7.525","0.009","24.63","0.03","11.729","0.015","90","","98.548","0.018","90","","2150","5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N O2 -","- C25 H33 N O2 -","- C100 H132 N4 O8 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Saito, Ayako; Kobaru, Shuichiro; Unosawa, Atsushi; Mino, Takashi; Fujita, Tsutomu","Asymmetric photocycloaddition of naphthamide with a diene using the provisional molecular chirality in a chiral crystal.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1387","1389","10.1039/c1pp05053b","","","0.71073","MoKα","","0.1057","0.0515","","","0.117","0.1354","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515745","11.2608","0.0007","17.8234","0.0011","20.1891","0.0013","90","","98.705","0.001","90","","4005.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 N4 S3 -","- C52 H38 N4 S3 -","- C208 H152 N16 S12 -","4","1","","Wang, Qiwei; Wong, Wai-Yeung","New low-bandgap polymetallaynes of platinum functionalized with a triphenylamine-benzothiadiazole donor‒acceptor unit for solar cell applications","Polymer Chemistry","2011","2","2","432","","10.1039/c0py00273a","","","0.71073","MoKα","","0.0877","0.0575","","","0.1505","0.1698","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515746","13.0853","0.0006","18.0594","0.0006","18.6508","0.0009","79.027","0.003","75.275","0.002","72.973","0.003","4043.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C132.31 H129.21 Cl32.03 N8 O17.63 Zn -","- C132.31 H127.574 Cl32.034 N8 O17.632 Zn -","- C132.31 H127.574 Cl32.034 N8 O17.632 Zn -","1","0.5","","Hashem, Mohammed; Grazia Bezzu, C.; Kariuki, Benson M.; McKeown, Neil B.","Enhancing the rigidity of a network polymer of intrinsic microporosity by the combined use of phthalocyanine and triptycene components,","Polymer Chemistry","2011","2","10","2190","","10.1039/c1py00288k","","","0.71073","MoKα","","0.213","0.1629","","","0.4436","0.4765","","","","","","1.651","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515747","11.276","0.002","26.738","0.005","9.1772","0.0018","90","","94.07","0.03","90","","2759.9","0.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 N5 Ni O14 Sm -","- C21 H24 N5 Ni O14 Sm -","- C84 H96 N20 Ni4 O56 Sm4 -","4","1","","Xiao, Guoqi; Yan, Bing; Ma, Rui; Jin, Wen Juan; Lü, Xing Qiang; Ding, Li Qin; Zeng, Chu; Chen, Lei Lei; Bao, Feng","Bulk ring-opening polymerization (ROP) of L-lactide catalyzed by Ni(ii) and Ni(ii)-Sm(iii) complexes based on a salen-type schiff-base ligand","Polymer Chemistry","2011","2","3","659","","10.1039/c0py00385a","","","0.71073","MoKα","","0.1144","0.052","","","0.1147","0.1491","","","","","","0.827","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515748","18.34","0.0006","6.7435","0.0002","20.8688","0.0007","90","","102.043","0.004","90","","2524.16","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N Si2 -","- C25 H31 N Si2 -","- C100 H124 N4 Si8 -","4","1","","Chen, Chih-Hsien; Lee, Shern-Long; Lim, Tsong-Shin; Chen, Chun-hsien; Luh, Tien-Yau","Influence of polymer conformations on the aggregation behaviour of alternating dialkylsilylene-[4,4′-divinyl(cyanostilbene)] copolymers","Polymer Chemistry","2011","2","12","2850","","10.1039/c1py00259g","","","1.54178","CuKα","","0.1375","0.1148","","","0.3246","0.3404","","","","","","2.275","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515749","8.858","0.004","16.147","0.008","10.691","0.004","90","","111.088","0.017","90","","1426.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl2 Hg N2 Se -","- C11 H12 Cl2 Hg N2 Se -","- C44 H48 Cl8 Hg4 N8 Se4 -","4","1","","Choi, Jaewon; Park, So Yeon; Yang, Hye Yun; Kim, Hae Jin; Ihm, Kyuwook; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Submicro-polymer particles bearing imidazoline-2-selenone: dual mode adsorbents with color-sensing for halogens and mercury ions","Polymer Chemistry","2011","2","11","2512","","10.1039/c1py00260k","","","0.71073","MoKα","","0.1522","0.0536","","","0.1052","0.1355","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515750","11.043","0.003","13.2414","0.0015","13.5068","0.0015","119.056","0.002","94.309","0.002","102.937","0.002","1643","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 Fe Si2 -","- C16 H20 Fe Si2 -","- C64 H80 Fe4 Si8 -","4","2","","Chabanne, Laurent; Matas, Inmaculada; Patra, Sanjib K.; Manners, Ian","Organic-metalloblock copolymers via photocontrolled living anionic ring-opening polymerization","Polymer Chemistry","2011","2","11","2651","","10.1039/c1py00298h","","","0.71073","MoKα","","0.034","0.0288","","","0.0826","0.0974","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515751","7.101","0.0005","8.7939","0.0006","33.018","0.002","82.386","0.001","88.279","0.002","67.146","0.001","1882.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H72 Br N O2 -","- C37 H72 Br N O2 -","- C74 H144 Br2 N2 O4 -","2","1","","Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.","Ionic liquid crystals derived from 4-hydroxypyridine","Soft Matter","2011","7","7","3491","","10.1039/c0sm01376e","","","0.71073","MoKα","","0.0536","0.0442","","","0.1231","0.1287","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515752","5.0633","0.0002","7.8476","0.0003","28.8648","0.0009","92.227","0.002","93.436","0.002","102.045","0.002","1118.12","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H38 Cl N O -","- C21 H38 Cl N O2 -","- C42 H76 Cl2 N2 O4 -","2","1","","Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.","Ionic liquid crystals derived from 4-hydroxypyridine","Soft Matter","2011","7","7","3491","","10.1039/c0sm01376e","","","0.71073","MoKα","","0.0983","0.0564","","","0.171","0.1997","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515753","20.7504","0.0008","7.9455","0.0003","13.4383","0.0004","90","","100.245","0.002","90","","2180.28","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 N O2 -","- C21 H39 N O2 -","- C84 H156 N4 O8 -","4","1","","Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.","Ionic liquid crystals derived from 4-hydroxypyridine","Soft Matter","2011","7","7","3491","","10.1039/c0sm01376e","","","0.71073","MoKα","","0.1555","0.0473","","","0.1068","0.1543","","","","","","0.767","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515754","10.9741","0.0008","10.9741","0.0008","59.527","0.007","90","","90","","120","","6208.4","1","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C38 H55 N5 O8 -","- C38 H55 N5 O8 -","- C228 H330 N30 O48 -","6","1","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Haldar, Debasish","Mesoporous vesicles from supramolecular helical peptide as drug carrier","Soft Matter","2011","7","21","10174","","10.1039/c1sm05958k","","","0.71073","MoKα","","0.0923","0.0762","","","0.225","0.2449","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515961","9.23","0.002","12.017","0.003","14.264","0.004","80.136","0.005","84.48","0.005","87.213","0.005","1550.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N4 O4 -","- C36 H26 N4 O4 -","- C72 H52 N8 O8 -","2","1","","Kim, Ha Na; Nam, Seong-Won; Swamy, K. M. K.; Jin, Yan; Chen, Xiaoqiang; Kim, Yonugmee; Kim, Sung-Jin; Park, Sungsu; Yoon, Juyoung","Rhodamine hydrazone derivatives as Hg2+ selective fluorescent and colorimetric chemosensors and their applications to bioimaging and microfluidic system.","The Analyst","2011","136","7","1339","1343","10.1039/c0an00804d","","","0.71073","MoKα","","0.1892","0.0682","","","0.1705","0.2154","","","","","","0.856","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515962","18.5474","0.0014","18.5474","0.0014","18.5474","0.0014","90","","90","","90","","6380.4","0.8","298","2","298","2","","","","","","","synthesis","4","P n -3 n","-P 4a 2bc 3","222","","","","- C120 H84 N48 Zn12 -","- C120 H72 N48 O6 Zn12 -","- C240 H144 N96 O12 Zn24 -","2","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515963","15.55503","0.00099","15.55503","0.00099","20.0304","0.0016","90","","90","","90","","4846.5","0.6","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C34 H38 N12 O6 Zn3 -","- C27 H17 N12 Zn3 -","- C108 H68 N48 Zn12 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515964","15.4625","0.0013","15.4625","0.0013","20.0474","0.0022","90","","90","","90","","4793.1","0.8","298","2","298","2","","","","","","","synthesis","5","P 42/n c m","-P 4ac 2ac","138","","","","- C38 H70 Co3 N12 O18 -","- C27 H17 Co3 N12 -","- C108 H68 Co12 N48 -","4","","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515965","18.80701","0.00076","18.80701","0.00076","18.80701","0.00076","90","","90","","90","","6652.1","0.5","298","2","298","2","","","","","","","synthesis","5","P m -3 m","-P 4 2 3","221","","","","- C38 H70 Cu3 N12 O18 -","- C30 H18 Cu3 N12 O3 -","- C120 H72 Cu12 N48 O12 -","4","0.0833333","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515966","18.54898","0.00083","18.54898","0.00083","18.54898","0.00083","90","","90","","90","","6382","0.5","298","2","298","2","","","","","","","synthesis","5","P m -3 m","-P 4 2 3","221","","","","- C33 H50 N12 Ni3 O13 -","- C30 H18 N12 Ni3 O3 -","- C120 H72 N48 Ni12 O12 -","4","0.0833333","","Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R.","High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites","Chemical Science","2011","2","7","1311","","10.1039/c1sc00136a","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515967","12.0405","0.0003","17.1549","0.0004","10.0631","0.0003","90","","90.406","0.001","90","","2078.52","0.09","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N2 O3 -","- C23 H23 N2 O3 -","- C92 H92 N8 O12 -","4","1","","Graham, Thomas J. A.; Shields, Jason D.; Doyle, Abigail G.","Transition metal-catalyzed cross coupling with N-acyliminium ions derived from quinolines and isoquinolines","Chemical Science","2011","2","5","980","","10.1039/c1sc00026h","","","0.71073","MoKα","","0.058","0.0479","","","0.1272","0.1376","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515968","19.723","0.004","18.459","0.004","17.842","0.003","90","","112.245","0.006","90","","6012","2","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H82 N4 O23 -","- C52 H60 N4 O23 -","- C208 H240 N16 O92 -","4","1","","Zhang, Jie; Guo, Dong-Sheng; Wang, Li-Hua; Wang, Zhen; Liu, Yu","Supramolecular binary hydrogels from calixarenes and amino acids and their entrapment‒release of model dye molecules","Soft Matter","2011","7","5","1756","","10.1039/c0sm01041c","","","0.71075","MoKα","","0.1449","0.1233","","","0.328","0.3516","","","","","","1.221","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515969","8.6019","0.0001","16.2504","0.0002","23.2724","0.0003","90","","91.1","0.001","90","","3252.52","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3.10H+)2(SO42).7H2O","","- C22 H38 N10 O17 S -","- C22 H38 N10 O17 S -","- C88 H152 N40 O68 S4 -","4","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0685","0.0523","","","0.1414","0.1555","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515970","10.4699","0.001","5.4899","0.0005","20.581","0.002","90","","103.507","0.004","90","","1150.25","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N5 O3 -","- C11 H11 N5 O3 -","- C44 H44 N20 O12 -","4","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0715","0.0488","","","0.1271","0.1435","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515971","7.5596","0.0004","12.6366","0.0006","13.7797","0.0006","100.661","0.001","94.926","0.002","96.37","0.002","1277.98","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(3.10H+)(BF4).3.10","","- C22 H23 B F4 N10 O6 -","- C22 H23 B F4 N10 O6 -","- C44 H46 B2 F8 N20 O12 -","2","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.1031","0.0587","","","0.1474","0.1747","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515972","7.7509","0.0004","8.2203","0.0005","13.2848","0.0007","94.481","0.002","104.643","0.002","110.579","0.002","753.55","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(3.10H+)(BF4).H2O","","- C11 H14 B F4 N5 O4 -","- C11 H14 B F4 N5 O4 -","- C22 H28 B2 F8 N10 O8 -","2","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0945","0.0585","","","0.1402","0.1671","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515973","9.818","0.0003","9.6472","0.0003","11.6088","0.0004","90","","106.908","0.001","90","","1052.01","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O2 -","- C9 H15 N3 O2 -","- C36 H60 N12 O8 -","4","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0784","0.0494","","","0.1259","0.1448","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515974","7.557","0.008","14.027","0.016","15.689","0.017","70.74","0.02","77.71","0.02","87.03","0.02","1534","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2(3.10H+) 2Cl MeOH H2O","","- C11.5 H14 Cl N5 O4 -","- C11.5 H14 Cl N5 O4 -","- C46 H56 Cl4 N20 O16 -","4","2","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.3683","0.2848","","","0.5981","0.6243","","","","","","1.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515975","7.6261","0.0003","25.9299","0.0011","16.0689","0.0007","90","","98.908","0.002","90","","3139.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N6 O7 -","- C12 H16 N6 O7 -","- C96 H128 N48 O56 -","8","2","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.1333","0.0613","","","0.1458","0.1777","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516188","5.4674","0.0009","29.89","0.004","4.4627","0.0009","90","","90","","90","","729.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H17 O6 -","- C18 H17 O6 -","- C36 H34 O12 -","2","0.5","","La Clair, James J.; Rheingold, Arnold L.; Burkart, Michael D.","Ganodone, a bioactive benzofuran from the fruiting bodies of Ganoderma tsugae.","Journal of natural products","2011","74","10","2045","2051","10.1021/np200361y","","","1.54178","CuKα","","0.0592","0.0568","","","0.165","0.1672","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516189","3.816","0.006","6.3759","0.0011","26.571","0.004","90","","94.353","0.018","90","","644.6","1","293","","293","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","4-Flurobenzoic acid","","","- C7 H5 F O2 -","- C7 H5 F O2 -","- C28 H20 F4 O8 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71075","MoKα","","0.0806","0.0546","","","0.1141","0.1254","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516190","22.913","0.002","5.2046","0.0005","20.0132","0.0018","90","","100.212","0.007","90","","2348.8","0.4","100","2","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","3-fluorobenzoic acid:Isonicotinamide","","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C104 H88 F8 N16 O24 -","8","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71073","MoKα","","0.0538","0.0406","","","0.0995","0.1062","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516191","3.7812","0.0008","6.3418","0.0013","26.539","0.005","90","","94.11","0.03","90","","634.8","0.2","250","","250","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","4-Flurobenzoic acid","","","- C7 H5 F O2 -","- C7 H5 F O2 -","- C28 H20 F4 O8 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71073","MoKα","","0.0624","0.05","","","0.1515","0.1741","","","","","","1.162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516192","7.0275","0.0009","7.4474","0.0009","12.6005","0.0016","74.371","0.005","87.185","0.006","70.004","0.005","596.12","0.13","100","2","100","","","","","","","","see text","5","P -1","-P 1","2","2-fluorobenzoic acid:Isonicotinamide","","","- C13 H10 F N2 O3 -","- C13 H10 F N2 O3 -","- C26 H20 F2 N4 O6 -","2","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71073","MoKα","","0.0462","0.0387","","","0.102","0.1068","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516193","6.5525","0.0013","3.7524","0.0008","25.021","0.005","90","","92.82","0.03","90","","614.5","0.2","100","2","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","2-fluorobenzoic acid","","","- C7 H5 F O2 -","- C7 H5 F O2 -","- C28 H20 F4 O8 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71073","MoKα","","0.0672","0.0556","","","0.1552","0.1831","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516194","3.7041","0.0002","6.2642","0.0004","26.6604","0.0017","90","","92.96","0.003","90","","617.78","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","p-flurobenzoic acid","","","- C7 H5 F O2 -","- C7 H5 F O2 -","- C28 H20 F4 O8 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71073","MoKα","","0.027","0.025","","","","0.057","0.025","","","","","1.48","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516195","3.7411","0.0007","6.305","0.0013","26.564","0.005","90","","93.54","0.03","90","","625.4","0.2","170","","170","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","4-fluorobenzoic acid","","","- C7 H5 F O2 -","- C7 H5 F O2 -","- C28 H20 F4 O8 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71073","MoKα","","0.0532","0.0459","","","0.1413","0.1585","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516196","3.7637","0.0008","6.3314","0.0013","26.607","0.005","90","","93.76","0.03","90","","632.7","0.2","210","","210","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","4-fluorobenzoic acid","","","- C7 H5 F O2 -","- C7 H5 F O2 -","- C28 H20 F4 O8 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71073","MoKα","","0.06","0.0482","","","0.1531","0.1735","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516197","6.7465","0.0013","3.7192","0.0007","24.285","0.005","90","","92.91","0.03","90","","608.6","0.2","100","2","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","3-fluorobenzoic acid","","","- C7 H5 F O2 -","- C7 H5 F O2 -","- C28 H20 F4 O8 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71073","MoKα","","0.061","0.0467","","","0.1144","0.1347","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516198","22.046","0.003","5.2078","0.0006","20.995","0.003","90","","95.888","0.008","90","","2397.7","0.5","100","2","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","4-flurobenzoic acid:Isonicotinamide","","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C104 H88 F8 N16 O24 -","8","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.","Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.","The journal of physical chemistry. A","2011","115","45","12852","12863","10.1021/jp2039866","","x-ray","0.71073","MoKα","","0.0591","0.0449","","","0.1129","0.1389","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516199","6.27205","0.00007","6.27205","","7.41472","0.00018","90","","90","","90","","291.685","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14748","","1.4","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516200","6.26158","0.00007","6.26158","","7.40222","0.00018","90","","90","","90","","290.222","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14732","","1.43","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516201","6.28481","0.00007","6.28481","","7.43083","0.00019","90","","90","","90","","293.509","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.15339","","1.42","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516202","6.24761","0.00007","6.24761","","7.38691","0.00019","90","","90","","90","","288.331","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.15173","","1.48","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516203","6.27406","0.00007","6.27406","","7.41752","0.00018","90","","90","","90","","291.982","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.13867","","1.38","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516204","6.24356","0.00007","6.24356","","7.38323","0.00018","90","","90","","90","","287.813","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.15648","","1.49","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516205","6.25716","0.00007","6.25716","","7.39742","0.00018","90","","90","","90","","289.624","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14903","","1.46","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516206","6.26687","0.00007","6.26687","","7.40789","0.00018","90","","90","","90","","290.935","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14588","","1.42","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516207","6.27959","0.00007","6.27959","","7.42355","0.00018","90","","90","","90","","292.735","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.18507","","1.38","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516208","6.25958","0.00007","6.25958","","7.39974","0.00018","90","","90","","90","","289.939","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14841","","1.45","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516209","6.28727","0.00007","6.28727","","7.43434","0.00018","90","","90","","90","","293.878","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14889","","1.39","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516210","6.27704","0.00007","6.27704","","7.42097","0.00018","90","","90","","90","","292.395","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14995","","1.41","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516211","6.25021","0.00007","6.25021","","7.38992","0.00018","90","","90","","90","","288.688","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.16249","","1.47","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516212","6.25254","0.00007","6.25254","","7.39233","0.00019","90","","90","","90","","288.998","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14363","","1.47","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516213","6.26923","0.00007","6.26923","","7.41088","0.00018","90","","90","","90","","291.272","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14371","","1.43","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516214","6.28957","0.00007","6.28957","","7.43727","0.00019","90","","90","","90","","294.209","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.15482","","1.41","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516215","6.2548","0.00007","6.2548","","7.39492","0.00019","90","","90","","90","","289.308","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14726","","1.47","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516216","6.2824","0.00007","6.2824","","7.42752","0.00018","90","","90","","90","","293.153","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.15073","","1.4","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516217","6.24506","0.00007","6.24506","","7.38479","0.00019","90","","90","","90","","288.013","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.16282","","1.5","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516218","6.26428","0.00007","6.26428","","7.40545","0.00018","90","","90","","90","","290.599","0.008","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- C3 Cl N -","- C3 Cl N -","- C6 Cl2 N2 -","2","0.125","","Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero","Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.","The journal of physical chemistry. B","2011","115","41","11805","11815","10.1021/jp206831d","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.1467","","1.44","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519110","6.4649","0.0004","7.6187","0.0004","21.2897","0.0013","90","","90","","90","","1048.61","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H0 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Tizzard, G; Threlfall, T; Ling, S; Coles, S","(E)-2,4,5-trifluoro-N-(4-fluorobenzylidene)aniline","Crystal Structure Report Archive","2011","","","1424","","","","","0.71073","MoKα","","0.0877","0.0541","","","0.1319","0.1728","","","","","","0.668","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1529431","8.96124","0.00009","8.96124","0.00009","8.96124","0.00009","90","","90","","90","","719.622","0.013","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- F12 H32 K4.59 N7.41 O12 W4 -","- F12 H32 K4.592 N7.408 O12 W4 -","- F12 H32 K4.592 N7.408 O12 W4 -","1","0.00520833","","M.S. Molokeev; S.V. Misyul","Structural transformations and the critical and noncritical parameters during the phase transition in the (NH4)2KWO3F3 oxyfluoride","Physics of the Solid State","2011","53","8","1672","1679","10.1134/S1063783411080208","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529432","6.3036","0.0003","8.9891","0.0003","6.2976","0.0004","90","","90","","90","","356.85","0.03","","","","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- F3 H6 K1.28 N1.72 O3 W -","- F3 H6 K1.28 N1.72 O3 W -","- F6 H12 K2.56 N3.44 O6 W2 -","2","0.25","","M.S. Molokeev; S.V. Misyul","Structural transformations and the critical and noncritical parameters during the phase transition in the (NH4)2KWO3F3 oxyfluoride","Physics of the Solid State","2011","53","8","1672","1679","10.1134/S1063783411080208","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529433","8.7355","0.0003","8.6901","0.0004","6.1569","0.0003","90","","135.167","0.003","90","","329.53","0.03","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- F3 K3 O3 W -","- F3 K3 O3 W -","- F6 K6 O6 W2 -","2","0.5","","M.S. Molokeev; S.V. Misyul; V.D. Fokina; A.G. Kocharova; K.S. Aleksandrov","Structure transformations during phase transitions in the K3WO3F3 oxyfluoride","Physics of the Solid State","2011","53","4","834","839","10.1134/S1063783411040251","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529434","6.1676","0.0001","6.1676","0.0001","8.7999","0.0002","90","","90","","90","","334.742","0.011","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","","","- F3 K3 O3 W -","- F3 K3 O3 W -","- F6 K6 O6 W2 -","2","0.125","","M.S. Molokeev; S.V. Misyul; V.D. Fokina; A.G. Kocharova; K.S. Aleksandrov","Structure transformations during phase transitions in the K3WO3F3 oxyfluoride","Physics of the Solid State","2011","53","4","834","839","10.1134/S1063783411040251","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529435","8.7958","0.0001","8.7958","0.0001","8.7958","0.0001","90","","90","","90","","680.497","0.013","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- F3 K3 O3 W -","- F3 K3 O3 W -","- F12 K12 O12 W4 -","4","0.0208333","","M.S. Molokeev; S.V. Misyul; V.D. Fokina; A.G. Kocharova; K.S. Aleksandrov","Structure transformations during phase transitions in the K3WO3F3 oxyfluoride","Physics of the Solid State","2011","53","4","834","839","10.1134/S1063783411040251","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529436","5.1772","0.0001","18.7293","0.0004","8.2474","0.0001","90","","90","","90","","799.71","0.02","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Mo2 Nd O8 Rb -","- Mo2 Nd O8 Rb -","- Mo8 Nd4 O32 Rb4 -","4","0.5","","V.V. Atuchin; O.D. Chimitova; T.A. Gavrilova; M.S. Molokeev; Sung-Jin Kim; N.V. Surovtsev; B.G. Bazarov","Synthesis, structural and vibrational properties of microcrystalline RbNd(MoO4)2","Journal of Crystal Growth","2011","318","1","683","686","10.1016/j.jcrysgro.2010.09.076","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529437","5.308874","0.000003","5.308874","0.000003","14.070447","0.0000004","90","","90","","120","","343.434","0.0003","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- F3 Sc -","- F3.00003 Sc -","- F18.0002 Sc6 -","6","0.166667","","K.S. Aleksandrov; V.N. Voronov; A.N. Vtyurin; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; S.V. Goryainov; A.Yu. Likhacheva; A.I. Ancharov","Structure and lattice dynamics of the high-pressure phase in the ScF3 crystal","Physics of the Solid State","2011","53","3","564","569","10.1134/S1063783411030036","powder diffraction","","","X-ray","","","","","","","","","6.2038","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529438","5.244449","0.000006","5.244449","0.000006","14.1092215","0.0000006","90","","90","","120","","336.073","0.0005","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- F3 Sc -","- F3.00003 Sc -","- F18.0002 Sc6 -","6","0.166667","","K.S. Aleksandrov; V.N. Voronov; A.N. Vtyurin; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; S.V. Goryainov; A.Yu. Likhacheva; A.I. Ancharov","Structure and lattice dynamics of the high-pressure phase in the ScF3 crystal","Physics of the Solid State","2011","53","3","564","569","10.1134/S1063783411030036","powder diffraction","","","X-ray","","","","","","","","","13.3441","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529439","5.078505","0.000009","5.078505","0.000009","14.2773514","0.0000008","90","","90","","120","","318.897","0.0008","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- F3 Sc -","- F3.00006 Sc -","- F18.0004 Sc6 -","6","0.166667","","K.S. Aleksandrov; V.N. Voronov; A.N. Vtyurin; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; S.V. Goryainov; A.Yu. Likhacheva; A.I. Ancharov","Structure and lattice dynamics of the high-pressure phase in the ScF3 crystal","Physics of the Solid State","2011","53","3","564","569","10.1134/S1063783411030036","powder diffraction","","","X-ray","","","","","","","","","13.1121","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529440","5.044912","0.000003","5.044912","0.000003","14.2605343","0.0000003","90","","90","","120","","314.321","0.0003","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- F3 Sc -","- F3.00003 Sc -","- F18.0002 Sc6 -","6","0.166667","","K.S. Aleksandrov; V.N. Voronov; A.N. Vtyurin; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; S.V. Goryainov; A.Yu. Likhacheva; A.I. Ancharov","Structure and lattice dynamics of the high-pressure phase in the ScF3 crystal","Physics of the Solid State","2011","53","3","564","569","10.1134/S1063783411030036","powder diffraction","","","X-ray","","","","","","","","","6.7811","","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1543059","9.893","0.007","9.893","0.007","5.3","0.004","90","","90","","90","","518.7","0.7","100","2","100","2","","","","","","","","3","I 41 m d","I 4bw -2","109","Diethylzinc","Diethylzinc","","- C4 H10 Zn -","- C4 H10 Zn -","- C16 H40 Zn4 -","4","0.25","","Bacsa, John; Hanke, Felix; Hindley, Sarah; Odedra, Rajesh; Darling, George R.; Jones, Anthony C.; Steiner, Alexander","The Solid-State Structures of Dimethylzinc and Diethylzinc","Angewandte Chemie International Edition","2011","50","49","11685","","10.1002/anie.201105099","","","0.71073","MoKα","","0.0308","0.0286","","","0.0676","0.0694","","","","","","0.974","","","","has coordinates","181986","2020-10-21","18:00:00",""
"1543060","6.849","0.004","6.849","0.004","4.182","0.003","90","","90","","90","","196.2","0.2","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","α-Dimethylzinc","α-Dimethylzinc","","- C2 H6 Zn -","- C2 H8 Zn -","- C4 H16 Zn2 -","2","0.125","","Bacsa, John; Hanke, Felix; Hindley, Sarah; Odedra, Rajesh; Darling, George R.; Jones, Anthony C.; Steiner, Alexander","The Solid-State Structures of Dimethylzinc and Diethylzinc","Angewandte Chemie International Edition","2011","50","49","11685","","10.1002/anie.201105099","","","0.71073","MoKα","","0.0296","0.0149","","","0.038","0.0411","","","","","","1.013","","","","has coordinates","181987","2020-10-21","18:00:00",""
"1543061","7.457","0.013","7.497","0.014","7.484","0.013","90","","114.12","0.03","90","","381.9","1.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","β-Dimethylzinc","'β-Dimethylzinc","","- C2 H6 Zn -","- C2 H6 Zn -","- C8 H24 Zn4 -","4","1","","Bacsa, John; Hanke, Felix; Hindley, Sarah; Odedra, Rajesh; Darling, George R.; Jones, Anthony C.; Steiner, Alexander","The Solid-State Structures of Dimethylzinc and Diethylzinc","Angewandte Chemie International Edition","2011","50","49","11685","","10.1002/anie.201105099","","","0.71073","MoKα","","0.1015","0.0578","","","0.1294","0.1449","","","","","","1.008","","","","has coordinates","181988","2020-10-21","18:00:00",""
"1544333","5.42708","0.00005","5.42708","0.00005","6.79455","0.00007","90","","90","","120","","173.31","0.003","","","","","","","","","","","","5","P -3","-P 3","147","BaCa2MgSi2O8","","merwinite-like","- Ba Ca2 Mg O8 Si2 -","- Ba Ca2 Mg O8 Si2 -","- Ba Ca2 Mg O8 Si2 -","1","0.166667","","Park, C.-H.; Kim, T.-H.; Yonesaki, Y.; Kumada, N.","A re-investigation of the crystal structure and luminescence of BaCa2MgSi2O8:Eu2+","Journal of Solid State Chemistry","2011","184","","1566","1570","","","","","","","","","","","","","","","","","","","","","","has coordinates","187464","2020-10-21","18:00:00",""
"1544377","9.3702","0.0003","9.4415","0.0003","9.3301","0.0002","90","","90","","90","","825.42","0.04","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Mg5TaO3(BO3)3","","","- B3 Mg5 O12 Ta -","- B3 Mg5 O12 Ta -","- B12 Mg20 O48 Ta4 -","4","0.5","","Kawano, T.; Yamane, H.","Synthesis, crystal structures and photoluminescence properties of new oxyborates, Mg5NbO3(BO3)3 and Mg5TaO3(BO3)3, with novel warwickite-type superstrucdtures","Journal of Solid State Chemistry","2011","184","","2466","2471","","","","","","","","","","","","","","","","","","","","","","has coordinates","187628","2020-10-21","18:00:00",""
"1544378","9.3682","0.0003","9.4344","0.0002","9.3379","0.0003","90","","90","","90","","825.31","0.04","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Mg5NbO3(BO3)3","","","- B3 Mg5 Nb O12 -","- B3 Mg5 Nb O12 -","- B12 Mg20 Nb4 O48 -","4","0.5","","Kawano, T.; Yamane, H.","Synthesis, crystal structures and photoluminescence properties of new oxyborates, Mg5NbO3(BO3)3 and Mg5TaO3(BO3)3, with novel warwickite-type superstrucdtures","Journal of Solid State Chemistry","2011","184","","2466","2471","","","","","","","","","","","","","","","","","","","","","","has coordinates","187629","2020-10-21","18:00:00",""
"1544380","5.799","0.0001","4.04293","0.00007","26.9561","0.0005","90","","90","","90","","631.984","0.019","","","","","","","","","","","","5","A m m m","-A 2 2","65","Pb2.85Ba2.15Fe4SnO13","","","- Ba2.15 Fe4 O13 Pb2.85 Sn -","- Ba2.16 Fe4 O13 Pb2.84 Sn -","- Ba4.32 Fe8 O26 Pb5.68 Sn2 -","2","0.125","","Korneychik, O.E.; Batuk, M.; Abakumov, A.M.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Pokholok, K.V.; Filimonov, D.S.; Antipov, E.V.","Pb2.85Ba2.15Fe4SnO13: a new member of the AnBnO3n-2 anion-deficient perovskite-based homologous series sample: T = 550 K","Journal of Solid State Chemistry","2011","184","","3150","3157","","","","","","","","","","","","","","","","","","","","","","has coordinates","187631","2020-10-21","18:00:00",""
"1544506","17.093","0.004","8.748","0.002","9.216","0.002","90","","103.69","0.02","90","","1338.9","0.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(NH4)2[Zr2(OH)2(PO4)2(HPO4)]","","","- H11 N2 O14 P3 Zr2 -","- N2 O14 P3 Zr2 -","- N8 O56 P12 Zr8 -","4","0.5","","Kumada, N.; Hinata, J.; Dong, Q.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Preparation and crystal structure of two types of zirconium phosphates by hydrothermal reaction","Journal of the Ceramic Society of Japan","2011","119","","412","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","187870","2020-10-21","18:00:00",""
"1544507","10.198","0.001","10.198","0.001","10.198","0.001","90","","90","","90","","1060.58","0.18","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","(NH4)Zr2(PO4)3","","","- H4 N O12 P3 Zr2 -","- N O12 P3 Zr2 -","- N4 O48 P12 Zr8 -","4","0.333333","","Kumada, N.; Hinata, J.; Dong, Q.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Preparation and crystal structure of two types of zirconium phosphates by hydrothermal reaction","Journal of the Ceramic Society of Japan","2011","119","","412","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","187871","2020-10-21","18:00:00",""
"1544547","4.71247","0.00004","4.22417","0.00004","2.83203","0.00002","90","","90","","90","","56.3752","0.0008","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","AlOOH delta phase","","delta-AlOOH","- Al H O2 -","- Al H O2 -","- Al2 H2 O4 -","2","0.5","","Komatsu, K.; Sano-Furukawa, A.; Kagi, H.","Effects of Mg and Si ions on the symmetry of delta-AlOOH","Physics and Chemistry of Minerals","2011","38","","727","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","188426","2020-10-21","18:00:00",""
"1544548","4.70456","0.00005","4.21232","0.00004","2.83681","0.00003","90","","90","","90","","56.2174","0.001","","","","","","","","","","","","5","P n n m","-P 2 2n","58","AlOOH delta phase","","delta-(Al,Mg,Si)OOH","- Al0.84 H Mg0.07 O2 Si0.07 -","- Al0.84 H Mg0.07 O2 Si0.07 -","- Al1.68 H2 Mg0.14 O4 Si0.14 -","2","0.25","","Komatsu, K.; Sano-Furukawa, A.; Kagi, H.","Effects of Mg and Si ions on the symmetry of delta-AlOOH","Physics and Chemistry of Minerals","2011","38","","727","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","188427","2020-10-21","18:00:00",""
"1544549","5.13972","0.00017","7.2556","0.0002","5.06349","0.00016","90","","90","","90","","188.826","0.01","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Al(OH)3 delta phase","","delta-Al(OH)3","- Al H3 O3 -","- Al D3 O3 -","- Al4 D12 O12 -","4","1","","Matsui, M.; Komatsu, K.; Ikeda, E.; Sano-Furukawa, A.; Gotou, H.; Yagi, T.","The crystal structure of delta-Al(OH)3: Neutron diffraction measurements and ab initio calculations","American Mineralogist","2011","96","","854","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","188428","2020-10-21","18:00:00",""
"1544623","4.7673","0.0002","10.2492","0.0003","6.0021","0.0002","90","","90","","90","","293.269","0.018","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","(Mg0.79Fe0.21)(Mg0.85Fe0.14)SiO4 olivine","","olivine","- Fe0.35 Mg1.64 O4 Si -","- Fe0.357 Mg1.643 O4 Si -","- Fe1.428 Mg6.572 O16 Si4 -","4","0.5","","Ejima, T.; Akasaka, M.; Ohfuji, H.","Oxidation state of Fe in olivine in a lherzolite xenolith from Oku district, Oki-Dogo island, Shimane Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2011","106","","246","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","188567","2020-10-21","18:00:00",""
"1546291","13.7002","0.0002","13.7002","0.0002","19.4438","0.0004","90","","90","","90","","3649.51","0.11","","","","","","","","","","","","4","I 41/a","-I 4ad","88","silica clathrate sII","","chibaite","- Al0.024 Na0.015 O4 Si1.978 -","- C0.277647 O2 T -","- C18.88 O136 T68 -","68","","","Momma, K.; Ikeda, T.; Nishikubo, K.; Takahashi, N.; Honma, C.; Takada, M.; Furukawa, Y.; Nagase, T.; Kudoh, Y.","New silica clathrate minerals that are isostructural with natural gas hydrates","Nature Communications","2011","2","","1","7","10.1138/ncomms1196","","","","","","","","","","","","","","","","","","","","","has coordinates","197736","2020-10-21","18:00:00",""
"1547205","7.5342","0.0006","9.1935","0.0008","12.8532","0.001","97.624","0.007","93.34","0.006","108.945","0.006","829.73","0.12","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","1,4,10,13-Tetraoxa-7,16-diazoniumcyclo- octadecane bis(4-chloro-2-methyl-phenoxyacetate)","","- C15 H22 Cl N O5 -","- C15 H22 Cl N O5 -","- C30 H44 Cl2 N2 O10 -","2","1","","Adamovich, S. N.; Mirskova, A. N.; Mirskov, R. G.; Schilde, Uwe","Synthesis and Crystal Structure of 1,4,10,13-Tetraoxa-7,16-diazoniumcyclo- octadecane bis(4-chloro-2-methyl-phenoxyacetate)","Chemistry Central Journal20115:23","2011","5","","23","","10.1186/1752-153X-5-23","","","0.71073","MoKα","","0.0495","0.0423","","","0.1111","0.1147","","","","","","1.001","","","","has coordinates","200970","2020-10-21","18:00:00",""
"1547213","12.7424","0.0009","17.4112","0.0007","21.0833","0.001","90","","90","","90","","4677.6","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N12 O12 -","- C16 H20 N12 O12 -","- C128 H160 N96 O96 -","8","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.1339","0.0801","","","0.1233","0.1386","","","","","","1.164","","","","has coordinates","200978","2020-10-21","18:00:00",""
"1547214","10.2066","0.0006","28.2758","0.0011","4.7187","0.0003","90","","111.293","0.006","90","","1268.85","0.13","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H11 F N6 O7 -","- C8 H11 F N6 O7 -","- C32 H44 F4 N24 O28 -","4","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.068","0.067","","","0.1533","0.1535","","","","","","1.473","","","","has coordinates","200979","2020-10-21","18:00:00",""
"1547255","8.106","0.0001","10.241","0.0003","12.952","0.0004","90","","90","","90","","1075.19","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.","A Cobalt Complex of a Microbial Arene Oxidation Product","Chemistry Central Journal","2011","5","","80","","10.1186/1752-153X-5-80","","","0.71073","MoKα","","0.0419","0.0322","","","0.0712","0.0754","","","","","","1.031","","","","has coordinates","201074","2020-10-21","18:00:00",""
"1547256","7.305","0.0001","8.665","0.0001","23.568","0.0003","90","","90","","90","","1491.8","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Co O4 -","- C16 H19 Co O4 -","- C64 H76 Co4 O16 -","4","1","","Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.","A Cobalt Complex of a Microbial Arene Oxidation Product","Chemistry Central Journal","2011","5","","80","","10.1186/1752-153X-5-80","","","0.71073","mokα","","0.0291","0.0274","","","0.062","0.0625","","","","","","1.231","","","","has coordinates","201075","2020-10-21","18:00:00",""
"1548211","5.3043","0.0009","5.3043","0.0009","6.9915","0.0008","90","","90","","120","","170.36","0.05","","","","","","","","","","","","5","P -3","-P 3","147","Na2BaMgP2O8","","","- Ba Mg Na2 O8 P2 -","- Ba Mg Na2 O8 P2 -","- Ba Mg Na2 O8 P2 -","1","0.166667","","Yonesaki, Y.; Matsuda, C.","Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their luminescence properties activated by Eu2+; analogous structural behaviors of glaserite-type phosphats and silicates","Journal of Solid State Chemistry","2011","184","","3247","3252","","","","","","","","","","","","","","","","","","","","","","has coordinates","203596","2020-10-21","18:00:00",""
"1548212","9.124","0.003","5.279","0.015","13.499","0.004","90","","90.013","0.005","90","","650.2","1.9","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Na2SrMgP2O8","","","- Mg Na2 O8 P2 Sr -","- Mg Na2 O8 P2 Sr -","- Mg4 Na8 O32 P8 Sr4 -","4","1","","Yonesaki, Y.; Matsuda, C.","Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their luminescence properties activated by Eu2+; analogous structural behaviors of glaserite-type phosphats and silicates","Journal of Solid State Chemistry","2011","184","","3247","3252","","","","","","","","","","","","","","","","","","","","","","has coordinates","203597","2020-10-21","18:00:00",""
"1548692","22.3365","0.0007","13.2652","0.0004","18.354","0.0005","90","","99.73","0.002","90","","5360","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 O3 Si2 -","- C28 H38 O3 Si2 -","- C224 H304 O24 Si16 -","8","2","","Rajesh Kumar Patti; Shaofeng Duan; Zhipeng Wang; James W. Herndon","Preparation of phenalenes and hydronaphthacenes through tandem alkyne Fischer-carbene complex coupling and inter- or intramolecular Diels-Alder reactions","Tetrahedron Letters","2011","52","","4182","4185","10.1016/j.tetlet.2011.06.006","","","0.71073","MoKα","","0.1166","0.1024","","","0.2624","0.272","","","","","","1.1","","","","has coordinates,has disorder","205248","2020-10-21","18:00:00",""
"1548694","9.268","0.007","8.872","0.006","11.16","0.008","90","","112.9","0.03","90","","845.3","1.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O2 -","- C10 H7 N3 O2 -","- C40 H28 N12 O8 -","4","1","","Thomas E. Edwards; Pavol Cekan; Gunnar W. Reginsson; Sandip A. Shelke; Adrian R. Ferre-D Amare; Olav Schiemann; Snorri Th. Sigurdsson","Crystal structure of a DNA containing the planar, phenoxazine-derived bi-functional spectroscopic probe C","Nucleic Acids Research","2011","39","","4419","4426","10.1093/nar/gkr015","","","0.71073","MoKα","","0.1622","0.0844","","","0.1503","0.1915","","","","","","1.048","","","","has coordinates","205256","2020-10-21","18:00:00",""
"1548695","5.731","0.002","9.162","0.004","31.739","0.012","90","","91.23","0.012","90","","1666.1","1.1","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N4 O3 -","- C16 H15 N4 O3 -","- C64 H60 N16 O12 -","4","1","","Thomas E. Edwards; Pavol Cekan; Gunnar W. Reginsson; Sandip A. Shelke; Adrian R. Ferre-D Amare; Olav Schiemann; Snorri Th. Sigurdsson","Crystal structure of a DNA containing the planar, phenoxazine-derived bi-functional spectroscopic probe C","Nucleic Acids Research","2011","39","","4419","4426","10.1093/nar/gkr015","","","0.71073","MoKα","","0.1676","0.09","","","0.233","0.279","","","","","","1.03","","","","has coordinates","205257","2020-10-21","18:00:00",""
"1549443","22.4101","0.0019","10.9538","0.0009","12.9703","0.0005","90","","100.001","0.007","90","","3135.5","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl2 N9 O10 Re2 S2 -","- C20 H16 Cl2 N9 O10 Re2 S2 -","- C80 H64 Cl8 N36 O40 Re8 S8 -","4","0.5","","Illán-Cabeza, Nuria A.; García-García, Antonio R.; Moreno-Carretero, Miguel N.","Complexes with 6-amino-5-nitroso-2-thiouracil and violuric acid derivatives containing the fac-ReI(CO)3 core: Synthesis, XRD structural and photoluminescence characterization","Inorganica Chimica Acta","2011","366","1","262","","10.1016/j.ica.2010.11.009","","","0.71073","MoKα","","0.0693","0.0365","","","0.0644","0.0754","","","","","","1.058","","","","has coordinates","207910","2020-10-21","18:00:00",""
"1549444","6.2583","0.0013","8.4997","0.0011","11.785","0.002","83.368","0.016","88.532","0.015","77.142","0.013","607.08","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N3 O8 Re -","- C9 H6 N3 O8 Re -","- C18 H12 N6 O16 Re2 -","2","1","","Illán-Cabeza, Nuria A.; García-García, Antonio R.; Moreno-Carretero, Miguel N.","Complexes with 6-amino-5-nitroso-2-thiouracil and violuric acid derivatives containing the fac-ReI(CO)3 core: Synthesis, XRD structural and photoluminescence characterization","Inorganica Chimica Acta","2011","366","1","262","","10.1016/j.ica.2010.11.009","","","0.71073","MoKα","","0.0379","0.033","","","0.0819","0.0842","","","","","","1.108","","","","has coordinates","207911","2020-10-21","18:00:00",""
"1549445","6.345","0.0004","8.881","0.0011","10.383","0.0009","98.159","0.009","91.828","0.007","99.464","0.007","570.36","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H4 N6 O17 Re2 -","- C14 H4 N6 O17 Re2 -","- C14 H4 N6 O17 Re2 -","1","0.5","","Illán-Cabeza, Nuria A.; García-García, Antonio R.; Moreno-Carretero, Miguel N.","Complexes with 6-amino-5-nitroso-2-thiouracil and violuric acid derivatives containing the fac-ReI(CO)3 core: Synthesis, XRD structural and photoluminescence characterization","Inorganica Chimica Acta","2011","366","1","262","","10.1016/j.ica.2010.11.009","","","0.71073","MoKα","","0.0513","0.0451","","","0.1151","0.1207","","","","","","1.078","","","","has coordinates","207912","2020-10-21","18:00:00",""
"1549512","8.3881","0.0013","10.7179","0.0011","5.1311","0.0009","90","","90","","90","","461.3","0.12","","","","","","","1","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O","","hemimorphite","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1bar, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208135","2020-10-21","18:00:00",""
"1549513","8.3512","0.0009","10.7136","0.0015","5.1092","0.0002","90","","90","","90","","457.13","0.08","","","","","","","170000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 0.17 GPa","","hemimorphite at 0.17 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.17 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208136","2020-10-21","18:00:00",""
"1549514","8.3359","0.0008","10.7125","0.0013","5.10008","0.00019","90","","90","","90","","455.43","0.07","","","","","","","470000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 0.47 GPa","","hemimorphite at 0.47 GPa","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.47 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208137","2020-10-21","18:00:00",""
"1549515","8.2849","0.0008","10.7055","0.0013","5.0843","0.00018","90","","90","","90","","450.95","0.07","","","","","","","1300000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 1.30 GPa","","hemimorphite at 1.30 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.30 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208138","2020-10-21","18:00:00",""
"1549516","8.2453","0.001","10.6959","0.0016","5.0691","0.0002","90","","90","","90","","447.05","0.09","","","","","","","1930000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 1.93 GPa","","hemimorphite at 1.93 GPa","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.93 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208139","2020-10-21","18:00:00",""
"1549517","8.2209","0.0009","10.692","0.0015","5.0614","0.0002","90","","90","","90","","444.89","0.08","","","","","","","2440000","","","","","4","I m m 2","I 2 -2","44","Zn4Si2O7(OH)2H2O at 2.44 GPa","","hemimorphite at 2.44 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.25","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 2.44 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208140","2020-10-21","18:00:00",""
"1549519","8.1407","0.0006","10.6127","0.0009","5.04567","0.00015","90","","90","","90","","435.92","0.05","","","","","","","3170000","","","","","4","P n n 2","P 2 -2n","34","Zn4Si2O7(OH)2H2O at 3.17 GPa","","hemimorphite II at 3.17 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.5","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.17 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208143","2020-10-21","18:00:00",""
"1549522","8.0863","0.0008","10.5218","0.0012","5.02927","0.00019","90","","90","","90","","427.9","0.07","","","","","","","4200000","","","","","4","P n n 2","P 2 -2n","34","Zn4Si2O7(OH)2H2O at 4.20 GPa","","hemimorphite II at 4.20 GPa","- H4 O10 Si2 Zn4 -","- H2 O10 Si2 Zn4 -","- H4 O20 Si4 Zn8 -","2","0.5","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 4.2 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208146","2020-10-21","18:00:00",""
"1549523","8.1034","0.0006","10.5561","0.001","5.0324","0.0002","90","","90","","90","","430.47","0.05","","","","","","","3740000","","","","","4","P n n 2","P 2 -2n","34","Zn4Si2O7(OH)2H2O at 3.74 GPa","","hemimorphite II at 3.74 GPa","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.5","","Seryotkin, Y.V.; Bakakin, V.V.","Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.74 GPa, room temperature","Physics and Chemistry of Minerals","2011","38","","679","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","208147","2020-10-21","18:00:00",""
"1551713","16.198","0.003","17.01","0.003","21.6","0.004","102.476","0.002","111.983","0.002","101.738","0.003","5115.8","1.6","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H62 Cl6 O4 Zr2 -","- C50 H62 Cl6 O4 Zr2 -","- C200 H248 Cl24 O16 Zr8 -","4","2","","FLOGERAS, Jennifer C.; ALLAN, Christopher R.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A.","Synthesis and Molecular Structure of Di(3,5-di-tert-butylcatecholato)-dicyclopentadienylzirconium(IV)","X-ray Structure Analysis Online","2011","27","","45","","10.2116/xraystruct.27.45","","","0.71073","MoKα","","0.0723","0.0541","","","0.1246","0.1379","","","","","","1.102","","","","has coordinates,has disorder","216325","2020-10-21","18:00:00",""
"1551714","20.8501","0.001","17.2174","0.0009","15.063","0.0007","90","","119.049","0.003","90","","4727.2","0.4","296.1","","296","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H29 Cl Cu N5 O4.5 S -","- C20 H28 Cl Cu N5 O4.5 S -","- C160 H224 Cl8 Cu8 N40 O36 S8 -","8","1","","YOKOYAMA, Takashi; HASE, Shintaroh; YOSHISE, Masakazu; SHIOMI, Atsushi; SHIBA, Takuya; AKASHI, Haruo; ZENKI, Michio","Crystal Structure of Isothiocyanato-N,N′-diethyl-N,N′-bis(pyridine-2-ylmethyl)propanediaminecopper(II) Perchlorate","X-ray Structure Analysis Online","2011","27","","65","","10.2116/xraystruct.27.65","","","0.71069","MoKα","","","0.0498","","","","0.1189","","","","","","1.055","","","","has coordinates","216326","2020-10-21","18:00:00",""
"1551715","8.985","0.0009","15.767","0.0016","6.994","0.0006","90","","90","","90","","990.82","0.16","169","2","169","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C8 H12 I N -","- C8 H12 I N -","- C32 H48 I4 N4 -","4","0.25","","BUTTRUS, Nabel H.; TAQA, Amer A.; RUMADTHAN, Eman M. R.; JOHMOTO, Kohei; UEKUSA, Hidehiro","Crystal Structure of 1,3,5-Trimethylpyridinium iodide","X-ray Structure Analysis Online","2011","27","","19","","10.2116/xraystruct.27.19","","x-ray","0.71073","MoKα","","0.0224","0.0215","","","0.0522","0.0527","","","","","","1.065","","","","has coordinates","216327","2020-10-21","18:00:00",""
"1551716","11.6898","0.0018","29.013","0.005","17.856","0.003","90","","90.345","0.002","90","","6055.9","1.7","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 B2 N4 Ni O6 -","- C66 H84 B2 N4 Ni O6 -","- C264 H336 B8 N16 Ni4 O24 -","4","1","","YAMAGUCHI, Ryo; TASAKI, Moriya; ASATO, Eiji; SAKIYAMA, Hiroshi","Synthesis and Crystal Structure of a Nickel(II) Complex with Bis(2-methoxyethyl)amine","X-ray Structure Analysis Online","2011","27","","5","","10.2116/xraystruct.27.5","","","0.71075","MoKα","","","0.0519","","","","0.1117","","","","","","1.07","","","","has coordinates,has disorder","216328","2020-10-21","18:00:00",""
"1551717","5.935","0.0006","10.185","0.0014","14.827","0.002","104.938","0.004","97.96","0.008","90.933","0.006","856.36","0.19","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F N O4 S -","- C18 H16 F N O4 S -","- C36 H32 F2 N2 O8 S2 -","2","1","","PRASAD, T. N. Mahadeva; SADASHIVA, M. P.; THIPPESWAMY, G. B.; RAGHAVA, B.; LAKSHMINARAYANA, B. N.; SRIDHAR, M. A.; PRASAD, J. Shashidhara; RANGAPPA, K. S.","Synthesis and Structural Conformation of a Novel Isoxazole Derivative: 5-(3-Dimethylane-p-tolylsulfonyl)-propyl-3-(4-flurophenyl)-isoxazole","X-ray Structure Analysis Online","2011","27","","17","","10.2116/xraystruct.27.17","","","0.71073","MoKα","","0.0535","0.0433","","","0.1109","0.1184","","","","","","1.039","","","","has coordinates","216329","2020-10-21","18:00:00",""
"1551718","13.3489","0.0016","18.933","0.002","11.3211","0.0014","90","","101.735","0.002","90","","2801.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br O P2 -","- C33 H27 Br O P2 -","- C132 H108 Br4 O4 P8 -","4","1","","SABOUNCHEI, Seyyed Javad; SAMIEE, Sepideh; MORALES-MORALES, David; HERNANDEZ-ORTEGA, Simon","Crystal Structure of 4-Bromo benzoylmethylenediphenyldiphenylphosphinomethylphosphorane","X-ray Structure Analysis Online","2011","27","","3","","10.2116/xraystruct.27.3","","","0.71073","MoKα","","0.0711","0.0379","","","0.0682","0.0727","","","","","","0.887","","","","has coordinates,has disorder","216330","2020-10-21","18:00:00",""
"1551719","8.6189","0.0002","17.9591","0.0007","18.4009","0.0006","90","","102.256","0.0019","90","","2783.32","0.16","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 Cu F6 N5 O2 P -","- C24 H26 Br2 Cu F6 N5 O2 P -","- C96 H104 Br8 Cu4 F24 N20 O8 P4 -","4","1","","GOLCHOUBIAN, Hamid; FATEH, Davod Sadeghi","Crystal and Molecular Structure of a Cu(II) Complex with Macrocyclic Ligand of 10,12-dibromo-6-ethylcyanide-3,6,14,18-tetraazapentaicosa-1(25), 8(24),10,12,13,19,21,23-octaene-24,25-diol","X-ray Structure Analysis Online","2011","27","","37","","10.2116/xraystruct.27.37","","","0.71073","MoKα","","0.0772","0.0448","","","0.099","0.1129","","","","","","1.021","","","","has coordinates,has disorder","216331","2020-10-21","18:00:00",""
"1551720","7.309","0.002","9.677","0.003","9.746","0.003","91.096","0.005","100.682","0.005","102.191","0.005","660.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C32 H30 N2 O8 -","2","1","","R., MARULASIDDAIAH; KULKARNI, Manohar V.; SHARMA, Deepak; GUPTA, Vivek K.","Crystal Structure of 1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione","X-ray Structure Analysis Online","2011","27","","41","","10.2116/xraystruct.27.41","","","0.71073","MoKα","","0.0779","0.0592","","","0.1519","0.167","","","","","","1.003","","","","has coordinates","216332","2020-10-21","18:00:00",""
"1551721","9.325","0.0007","11.0063","0.0008","10.5602","0.0007","90","","95.53","0.002","90","","1078.79","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- As0.48 H15 Na2 O11 P0.52 -","- As0.477 H15 Na2 O11 P0.5177 -","- As1.908 H60 Na8 O44 P2.0708 -","4","1","","ENNACEUR, Nasreddine; JARRAYA, Khaled; LEDOUX-RAK, Isabelle; GUIBLIN, Nicolas; MHIRI, Tahar","X-ray Single-Crystal Analysis of Na2H[(P0.52As0.48)O4]·7H2O","X-ray Structure Analysis Online","2011","27","","29","","10.2116/xraystruct.27.29","","","0.71073","MoKα","","0.0858","0.0542","","0.0941","0.0867","0.0803","","","","","","1.0918","","","","has coordinates","216333","2020-10-21","18:00:00",""
"1551722","10.1095","0.0003","10.4038","0.0003","11.9047","0.0003","90","","101.013","0.003","90","","1229.04","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-(6-Chloro-p yridin-3-ylmethyl)-2,6,7,8-tetrahydro- imidazo[2,1-c][1,2,6-Chloropyridyl-3-yl-4] triazin-3-one","","- C11 H12 Cl N5 O -","- C11 H12 Cl N5 O -","- C44 H48 Cl4 N20 O4 -","4","1","","KAPOOR, Kamini; GUPTA, Vivek K.; DESHMUKH, Madhukar B.; SRIPANAVAR, Chaten S.","Crystal Structure of 8-(6-Chloro-pyridin-3-ylmethyl)-2,6,7,8-tetrahydroimidazo[2,1-c][1,2,6-chloropyridyl-3-yl-4] triazin-3-one","X-ray Structure Analysis Online","2011","27","","55","","10.2116/xraystruct.27.55","","","0.71073","MoKα","","0.0465","0.0391","","","0.0942","0.0983","","","","","","1","","","","has coordinates","216334","2020-10-21","18:00:00",""
"1551723","7.6149","0.0005","12.2245","0.0009","24.2399","0.0017","84.575","0.001","87.967","0.001","86.767","0.001","2241.7","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","Dimethyldodecylhexadecylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","","- C36 H64 N Ni S10 -","- C36 H64 N Ni S10 -","- C72 H128 N2 Ni2 S20 -","2","1","","DAI, Kotaro; KUSUNOKI, Satoe; HIROTA, Mami; TOMONO, Kazuaki; MIYAMURA, Kazuo","Crystal Structure of Dimethyldodecylhexadecylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","X-ray Structure Analysis Online","2011","27","","35","","10.2116/xraystruct.27.35","","","0.71073","MoKα","","0.0833","0.0554","","","0.161","0.1806","","","","","","1.015","","","","has coordinates","216335","2020-10-21","18:00:00",""
"1551724","30.2714","0.0005","9.26438","0.0001","22.0462","0.0004","90","","90","","90","","6182.76","0.17","93","","93","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C66 H82 B2 N6 Ni O6 -","- C66 H82 B2 N6 Ni O6 -","- C264 H328 B8 N24 Ni4 O24 -","4","1","","YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi","Synthesis and Crystal Structure of a Hexa-DMF Nickel(II) Complex that Belongs to an S6 Point Group","X-ray Structure Analysis Online","2011","27","","71","","10.2116/xraystruct.27.71","","","1.54187","CuKα","","","0.0371","","","","0.0909","","","","","","1.084","","","","has coordinates","216336","2020-10-21","18:00:00",""
"1551725","3.8458","0.0016","18.282","0.007","15.381","0.006","90","","92.21","0.008","90","","1080.6","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","ALIZADEH, Kamal; MORSALI, Ali","Crystal Structure of Pyridinyl-2-methylene-4-aminobenzoic acid","X-ray Structure Analysis Online","2011","27","","11","","10.2116/xraystruct.27.11","","","0.71073","MoKα","","0.079","0.0688","","","0.1406","0.1463","","","","","","1.176","","","","has coordinates","216337","2020-10-21","18:00:00",""
"1551726","4.8145","0.0003","12.6749","0.0009","26.2919","0.0019","90","","90","","90","","1604.42","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","bis(3,4-dihydroisoquinolin-2(1H)-yl)methanethione","","- C19 H20 N2 S -","- C19 H20 N2 S -","- C76 H80 N8 S4 -","4","0.5","","SRINIVASAN, N.; THIRUMARAN, S.; KAPOOR, Kamini; GUPTA, Vivek K.","Crystal Structure of Bis(3,4-dihydroisoquinolin-2(1H)-yl)methanethione","X-ray Structure Analysis Online","2011","27","","63","","10.2116/xraystruct.27.63","","","0.71073","MoKα","","0.046","0.0366","","","0.1164","0.1242","","","","","","1.015","","","","has coordinates","216338","2020-10-21","18:00:00",""
"1551727","12.4968","0.0012","9.7051","0.001","16.0975","0.0017","90","0.009","101.734","0.008","90","0.009","1911.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N2 Ni O2 P2 S4 -","- C34 H46 N2 Ni O2 P2 S4 -","- C68 H92 N4 Ni2 O4 P4 S8 -","2","0.5","","SAGLAM, Ertugrul Gazi; ÇELIK, Ömer; IDE, Semra; YILMAZ, Hamza","Synthesis and Determination of Crystal and Molecular Structure of {Bispyridine-bis[4-methoxyphenyl(3-methylbutyl)dithiophosphinato]}nickel(II)","X-ray Structure Analysis Online","2011","27","","23","","10.2116/xraystruct.27.23","","","0.71073","MoKα","","0.0973","0.0441","","","0.1031","0.1205","","","","","","1.002","","","","has coordinates","216339","2020-10-21","18:00:00",""
"1551728","27.799","0.0013","27.799","","12.18","0.0008","90","","90","","90","","9412.5","0.8","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C432 H432 N48 O32 -","16","1","","NEETHA, S.; JOSHIPURA, D. N.; SRIDHAR, M. A.; PRASAD, J. Shashidhara; SHAH, Anamik","Synthesis and Crystal Structure Study of 4-Anilino-3-[(4-benzylpiperazin-1-yl)-methyl]-2H-chromen-2-one","X-ray Structure Analysis Online","2011","27","","1","","10.2116/xraystruct.27.1","","","0.71073","MoKα","","0.1007","0.0692","","","0.2093","0.2491","","","","","","1.06","","","","has coordinates","216340","2020-10-21","18:00:00",""
"1551729","16.275","0.003","16.275","0.003","23.955","0.006","90","","90","","90","","6345","2","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","[Rh2(form)4(CH3CN)]2H2O","","- C62 H67 N9 O2 Rh2 -","- C62 H63 N9 O2 Rh2 -","- C248 H252 N36 O8 Rh8 -","4","0.25","","HANDA, Makoto; YASUDA, Motoi; YOSHIOKA, Daisuke; IKEUE, Takahisa; MIKURIYA, Masahiro","Crystal Structure of Rhodium(II) Formamidinate Dimer with an Axial Acetonitrile Molecule","X-ray Structure Analysis Online","2011","27","","15","","10.2116/xraystruct.27.15","","","0.71073","MoKα","","0.0763","0.0437","","","0.1402","0.1605","","","","","","0.978","","","","has coordinates","216341","2020-10-21","18:00:00",""
"1551730","6.2405","0.0012","7.2635","0.0015","10.1","0.002","100.02","0.03","94.59","0.03","100.02","0.03","441.07","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 I2 N2 O8 -","- C12 H14 I2 N2 O8 -","- C12 H14 I2 N2 O8 -","1","0.5","","GHOLIZADEH, Mostafa; HOJATI, Seyyedeh Fatemeh; POURAYOUBI, Mehrdad; MALEKI, Behrooz; KIA, Mehdi; NOTASH, Behrouz","Synthesis and Crystal Structure of Bis pyridinium 1,2-Ethane periodate","X-ray Structure Analysis Online","2011","27","","47","","10.2116/xraystruct.27.47","","","0.71073","MoKα","","0.0772","0.0581","","","0.1732","0.2452","","","","","","1.164","","","","has coordinates","216342","2020-10-21","18:00:00",""
"1551731","16.355","0.0002","7.04","0.0001","9.678","0.0002","90","","126.137","0.001","90","","899.93","0.03","298","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- La0.5 Li0.5 O6 P2 -","- La0.5 Li0.5 O6 P2 -","- La4 Li4 O48 P16 -","8","1","","BOUJELBENE, Mohamed; MHIRI, Tahar","Synthesis and Crystal Structure of LiLaP4O12","X-ray Structure Analysis Online","2011","27","","21","","10.2116/xraystruct.27.21","","","0.71073","MoKα","","0.0443","0.0431","","0.0403","0.0399","0.0399","","","","","","0.9467","","","","has coordinates","216343","2020-10-21","18:00:00",""
"1551732","12.7153","0.0014","17.5474","0.0011","10.3409","0.0008","90","","91.582","0.007","90","","2306.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H66 Cl10 Co2 N6 -","- C24 H66 Cl10 Co2 N6 -","- C48 H132 Cl20 Co4 N12 -","2","0.5","","KESSENTINI, Abir; BELHOUCHET, Mohamed; MHIRI, Tahar","Synthesis and Crystal Structure of a New Organic-Inorganic Hybrid Compound: Tris(1,8-diammoniumoctane)bis(tetrachlorocobaltate) dichloride","X-ray Structure Analysis Online","2011","27","","31","","10.2116/xraystruct.27.31","","","0.71073","MoKα","","0.0956","0.0474","","","0.1115","0.132","","","","","","1","","","","has coordinates","216344","2020-10-21","18:00:00",""
"1551733","9.686","0.0009","12.665","0.0017","13.49","0.0018","68.808","0.004","81.149","0.007","79.863","0.007","1511.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","2","","G. B., Thippeswamy; D., Vijaykumar; T. N. Mahadeva, Prasad; B. S., Jayashree; B. N., Lakshminarayana; M. A., Sridhar; J. Shashidhara, Prasad","Synthesis and Crystal Structure of 3-(4-Ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one","X-ray Structure Analysis Online","2011","27","","39","","10.2116/xraystruct.27.39","","","0.71073","MoKα","","0.0816","0.06","","","0.173","0.1984","","","","","","1.049","","","","has coordinates","216345","2020-10-21","18:00:00",""
"1551734","10.2102","0.0003","10.3193","0.0004","11.204","0.0004","83.116","0.003","86.022","0.003","66.348","0.003","1073.23","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-chlorophenyl)-1,4,5-triphenyl imidazole","","- C27 H19 Cl N2 -","- C27 H19 Cl N2 -","- C54 H38 Cl2 N4 -","2","1","","KAPOOR, Kamini; GUPTA, Vivek K.; GUPTA, Princy; PAUL, Satya","Crystal Structure of 2-(4-Chlorophenyl)-1,4,5-triphenyl-(1H)-imidazole","X-ray Structure Analysis Online","2011","27","","53","","10.2116/xraystruct.27.53","","","0.71073","MoKα","","0.0538","0.0406","","","0.1104","0.1192","","","","","","1.001","","","","has coordinates","216346","2020-10-21","18:00:00",""
"1551735","9.257","0.003","9.883","0.004","11.806","0.005","89.638","0.012","81.053","0.01","88.841","0.012","1066.7","0.7","93.1","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H24 Cl Cu N5 O4 S -","- C18 H24 Cl Cu N5 O4 S -","- C36 H48 Cl2 Cu2 N10 O8 S2 -","2","1","","YOKOYAMA, Takashi; YOSHISE, Masakazu; HASE, Shintaroh; KAWATE, Ayumi; AKASHI, Haruo; ZENKI, Michio","Crystal Structure of Isothiocyanato-N,N′-dimethyl-N,N′-bis(pyridine-2-ylmethyl)propane-1,3-diaminecopper(II) Perchlorate","X-ray Structure Analysis Online","2011","27","","51","","10.2116/xraystruct.27.51","","","0.7107","MoKα","","","0.0576","","","","0.1788","","","","","","1.132","","","","has coordinates","216347","2020-10-21","18:00:00",""
"1551736","6.493","0.005","11.56","0.006","13.384","0.008","90","","118.19","0.05","90","","885.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N2 O5 S -","- C6 H12 N2 O5 S -","- C24 H48 N8 O20 S4 -","4","1","","MAROUANI, Houda; RZAIGUI, Mohamed; AL-DEYAB, Salem S.","Synthesis and Crystal Structure of (3-NH3CH2C5H4NH)SO4·H2O","X-ray Structure Analysis Online","2011","27","","25","","10.2116/xraystruct.27.25","","","0.56083","AgKα","","0.1224","0.073","","","0.1775","0.208","","","","","","1.035","","","","has coordinates","216348","2020-10-21","18:00:00",""
"1551737","15.017","0.003","9.6038","0.0019","15.896","0.003","90","","113.712","0.003","90","","2099","0.7","198","1","198","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 B O2 -","- C23 H31 B O2 -","- C92 H124 B4 O8 -","4","1","","GEIER, Michael J.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A.","Synthesis and Molecular Structure of 4,6-Di-tert-butyl-2-mesitylbenzo-[d][1,3,2]dioxaborole","X-ray Structure Analysis Online","2011","27","","33","","10.2116/xraystruct.27.33","","x-ray","0.71073","MoKα","","0.0713","0.043","","","0.1032","0.1298","","","","","","1.062","","","","has coordinates,has disorder","216349","2020-10-21","18:00:00",""
"1551738","7.917","0.0006","10.7305","0.0006","10.4145","0.0008","90","","109.246","0.009","90","","835.3","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5,10-dimethyl-1-hydroxy-3,11,13-tribromo -hexahydroazulino[6,7-b] furan-4,12-dione","","- C15 H17 Br3 O4 -","- C15 H17 Br3 O4 -","- C30 H34 Br6 O8 -","2","1","","KAPOOR, Kamini; GUPTA, Vivek K.; SHAH, Bhahwal A.; ANDOTRA, Samar S.; TANEJA, Subhash C.","Crystal Structure of 3,8-Dibromo-3-(bromomethyl)-3,3a,4,5,6,6a-hexahydro-6a-hydroxy-6,9a-dimethylazuleno[4,5-b]furan-2,9-dione—A Sesquiterpene Lactone","X-ray Structure Analysis Online","2011","27","","67","","10.2116/xraystruct.27.67","","","0.71073","MoKα","","0.0644","0.0479","","","0.1064","0.1131","","","","","","1.001","","","","has coordinates","216350","2020-10-21","18:00:00",""
"1551739","8.646","0.006","9.096","0.005","9.217","0.006","78.01","0.02","64.23","0.02","67.39","0.02","601.9","0.7","223.1","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 N2 -","- C32 H26 N2 -","- C32 H26 N2 -","1","0.5","","IMAI, Kazunori; TAKAHASHI, Mai; ISHII, Rie; KOBAYASHI, Keiji","Crystal Structure of Benzene-Solvate of Bis(benzophenone) Azine: A Color Polymorph","X-ray Structure Analysis Online","2011","27","","75","","10.2116/xraystruct.27.75","","","0.71075","MoKα","","","0.0372","","","","0.1155","","","","","","0.961","","","","has coordinates","216351","2020-10-21","18:00:00",""
"1551740","12.2874","0.0004","12.2874","0.0004","10.8085","0.0005","90","","90","","120","","1413.24","0.09","183","2","183","2","","","","","","","","5","P -3","-P 3","147","","(tris(2-(3-methyl-2-oxy-benzylideneamino)ethyl)amine)terbium(III)","","- C30 H33 N4 O3 Tb -","- C30 H33 N4 O3 Tb -","- C60 H66 N8 O6 Tb2 -","2","0.333333","","NAGAHARA, Keiko; KANESATO, Masatoshi; SATO, Ken-ichi; GOTO, Midori","Synthesis and Crystal Structure of a Terbium(III) Complex of Tris(2-(2-hydroxy-3-methylbenzylideneamino)ethyl)amine","X-ray Structure Analysis Online","2011","27","","9","","10.2116/xraystruct.27.9","","","0.71073","MoKα","","0.0165","0.0161","","","0.0422","0.0426","","","","","","1.113","","","","has coordinates","216352","2020-10-21","18:00:00",""
"1551741","7.8862","0.0002","17.6554","0.0003","20.0326","0.0005","90","","90","","90","","2789.22","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl -2-cyano-3,11-dioxo-urs-1,12-dien-24-oate","","- C32 H43 N O4 -","- C32 H43 N O4 -","- C128 H172 N4 O16 -","4","1","","KAPOOR, Kamini; GUPTA, Vivek K.; CHIB, Renu; SHAH, Bhahwal A.; TANEJA, Subhash C.","Crystal Structure of Methyl-2-cyano-3,11-dioxo-urs-1,12-dien-24-oate","X-ray Structure Analysis Online","2011","27","","43","","10.2116/xraystruct.27.43","","","0.71073","MoKα","","0.0468","0.0365","","","0.0784","0.0827","","","","","","1.001","","","","has coordinates","287903","2023-11-30","17:46:38",""
"1551742","8.946","0.0018","8.838","0.0018","13.85","0.003","90","","105.28","0.03","90","","1056.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 B N O5 S -","- C7 H12 B N O5 S -","- C28 H48 B4 N4 O20 S4 -","4","1","","IWATSUKI, Satoshi; KANAMITSU, Yuki; DANJO, Hiroshi; ISHIHARA, Koji","A Crystal Structure of Methanesulfonate Salt of 3-(N-Methyl)pyridinium Boronic Acid","X-ray Structure Analysis Online","2011","27","","61","","10.2116/xraystruct.27.61","","","0.7","synchrotron","","0.0414","0.0403","","","0.1124","0.1135","","","","","","1.053","","","","has coordinates","216354","2020-10-21","18:00:00",""
"1551743","7.889","0.003","34.808","0.014","12.983","0.005","90","","103.93","0.007","90","","3460","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H8 F20 O10 Rh2 -","- C30 H8 F20 O10 Rh2 -","- C120 H32 F80 O40 Rh8 -","4","1","","HANDA, Makoto; ISHITOBI, Yoshiyuki; MORIYAMA, Kazutaka; IKEUE, Takahisa; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Rhodium(II) Pentafluorobenzoate Dimer with Axial Methanol Molecules","X-ray Structure Analysis Online","2011","27","","49","","10.2116/xraystruct.27.49","","","0.71073","MoKα","","0.0419","0.0319","","","0.0718","0.0747","","","","","","1.034","","","","has coordinates","216355","2020-10-21","18:00:00",""
"1551744","14.033","0.004","15.602","0.005","7.603","0.004","101.72","0.03","105.19","0.03","64.82","0.02","1445.8","1","299.1","","299.1","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 O8 Si3 -","- C24 H36 O8 Si3 -","- C48 H72 O16 Si6 -","2","1","","KIKUCHI, Tohru","Synthesis and Crystal Structure of Trisiloxane-containing Alicyclic Tetracarboxylic Dianhydride","X-ray Structure Analysis Online","2011","27","","57","","10.2116/xraystruct.27.57","","","1.5418","CuKα","","","0.053","","","","0.03","","","","","","3.849","","","","has coordinates","216356","2020-10-21","18:00:00",""
"1551745","11.1593","0.0003","11.2247","0.0003","14.114","0.0004","73.333","0.003","88.286","0.002","82.767","0.002","1680.13","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Cocrystallization of two tautomers : 1-phenyl-3-(propan-2-yl) -1,2-dihydro-pyrazol-5-one and 1-phenyl-3-(propan-2-yl)- 1H-pyrazol-5-ol""","","- C36 H42 N6 O3 -","- C36 H42 N6 O3 -","- C72 H84 N12 O6 -","2","1","","KAPOOR, Kamini; GUPTA, Vivek K.; VYAS, Poorvesh M.; JOSHI, Mihir J.; TADA, Satish D.; SAROTHIA, Satish M.; JOSHI, H. S.","Cocrystallization of Two Tautomers: 1-Phenyl-3-(propan-2-yl)-1,2-dihydropyrazol-5-one and 1-Phenyl-3-(propan-2-yl)-1H-pyrazol-5-ol","X-ray Structure Analysis Online","2011","27","","59","","10.2116/xraystruct.27.59","","","0.71073","MoKα","","0.0556","0.0405","","","0.0966","0.1044","","","","","","1.016","","","","has coordinates","216357","2020-10-21","18:00:00",""
"1551746","16.52","0.007","7.088","0.004","9.831","0.004","90","","126.29","0.002","90","","927.9","0.8","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce Li O12 P4 -","- Ce Li O12 P4 -","- Ce4 Li4 O48 P16 -","4","0.5","","MESFAR, Mouna; ABDELHEDI, Mohamed; HERNANDEZ, Olivier; DAMMAK, Mohamed; FERID, Mokhtar","Synthesis and Crystal Structure of LiCe(PO3)4","X-ray Structure Analysis Online","2011","27","","13","","10.2116/xraystruct.27.13","","","0.71073","MoKα","","0.0114","0.0114","","0.0126","0.0126","0.0126","","","","","","1.0083","","","","has coordinates","216358","2020-10-21","18:00:00",""
"1551939","3.8289","","3.8289","","3.8289","","90","","90","","90","","56.133","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sr Co O3","","- Co O3 Sr -","- Co O3 Sr -","- Co O3 Sr -","1","0.0208333","","Long, Youwen; Kaneko, Yoshio; Ishiwata, Shintaro; Taguchi, Yasujiro; Tokura, Yoshinori","Synthesis of cubic SrCoO3single crystal and its anisotropic magnetic and transport properties","Journal of Physics: Condensed Matter","2011","23","24","245601","","10.1088/0953-8984/23/24/245601","","","","","","","","","","","","","","","","","","","","","has coordinates","216701","2020-10-21","18:00:00",""
"1552094","17.577","0.004","17.577","0.004","17.577","0.004","90","","90","","90","","5430","2","290","","290","","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- Ga7 H12 Na5 O6 S13 -","- Ga7 H12 Na5 O6 S13 -","- Ga56 H96 Na40 O48 S104 -","8","0.0833333","","Jack Rumble; Paz Vaqueiro","Na5(Ga4S)(GaS4)3 6H2O: A three-dimensional gallium sulphide containing a novel octahedral building block","Solid State Sciences","2011","13","","1137","1142","10.1016/j.solidstatesciences.2011.01.003","","","0.71073","MoKα","","0.0732","0.0319","","0.0639","0.0313","0.0313","","","","","","1.1206","","","","has coordinates","216971","2020-10-21","18:00:00",""
"1556123","11.287","0.002","10.884","0.002","15.828","0.003","90","","107.092","0.003","90","","1858.6","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","weixrs03","","","- C17 H28 Cl N Ni O Si -","- C17 H28 Cl N Ni O Si -","- C68 H112 Cl4 N4 Ni4 O4 Si4 -","4","1","","Shrestha, Ruja; Weix, Daniel J.","Reductive conjugate addition of haloalkanes to enones to form silyl enol ethers.","Organic letters","2011","13","10","2766","2769","10.1021/ol200881v","","","0.71073","MoKα","","0.0934","0.0447","","","0.0823","0.0965","","","","","","1.002","","","","has coordinates","243485","2020-10-21","18:00:00",""
"1556266","10.42","0.0017","12.888","0.002","19.103","0.003","90","","90","","90","","2565.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C112 H108 N4 O24 -","4","1","","Wang, Ming; Shi, Yu-Hua; Luo, Jun-Fei; Du, Wenting; Shi, Xiao-Xin; Fossey, John S.; Deng, Wei-Ping","Novel N,O-Cu(OAc)2 complex catalysed diastereo- and enantioselective 1,4-addition of glycine derivatives to alkylidene malonates","Catalysis Science & Technology","2011","1","1","100","","10.1039/c0cy00001a","","","0.71073","MoKα","","0.0463","0.035","","","0.0814","0.0852","","","","","","0.983","","","","has coordinates","244132","2020-10-21","18:00:00",""
"1556267","29.331","0.006","10.775","0.002","15.226","0.003","90","","105.3","0.03","90","","4641.5","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br2 N2 Ni -","- C24 H28 Br2 N2 Ni -","- C192 H224 Br16 N16 Ni8 -","8","1","","Song, Shengju; Xiao, Tianpengfei; Liang, Tongling; Wang, Fosong; Redshaw, Carl; Sun, Wen-Hua","Synthesis, characterization and ethylene oligomerization behaviour of 8-(1-aryliminoethylidene)quinaldinylnickel dihalides","Catalysis Science & Technology","2011","1","1","69","","10.1039/c0cy00002g","","","0.71073","MoKα","","0.0899","0.0755","","","0.1768","0.1857","","","","","","1.062","","","","has coordinates","244133","2020-10-21","18:00:00",""
"1556268","15.834","0.003","8.6441","0.0017","17.665","0.004","90","","114.28","0.03","90","","2204","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Br2 N2 Ni -","- C23 H26 Br2 N2 Ni -","- C92 H104 Br8 N8 Ni4 -","4","1","","Song, Shengju; Xiao, Tianpengfei; Liang, Tongling; Wang, Fosong; Redshaw, Carl; Sun, Wen-Hua","Synthesis, characterization and ethylene oligomerization behaviour of 8-(1-aryliminoethylidene)quinaldinylnickel dihalides","Catalysis Science & Technology","2011","1","1","69","","10.1039/c0cy00002g","","","0.71073","MoKα","","","0.0855","","","0.1501","0.1581","","","","","","1.368","","","","has coordinates","244133","2020-10-21","18:00:00",""
"1556269","17.0585","0.0015","17.1534","0.0016","19.5448","0.0017","90","","90.797","0.002","90","","5718.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H53 Cl4 O5 P5 Rh2 -","- C60 H53 Cl4 O5 P5 Rh2 -","- C240 H212 Cl16 O20 P20 Rh8 -","4","1","","Castro, Pascal M.; Gulyás, Henrik; Benet-Buchholz, Jordi; Bo, Carles; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","SPOs as new ligands in Rh(iii) catalyzed enantioselective transfer hydrogenation","Catalysis Science & Technology","2011","1","3","401","","10.1039/c0cy00022a","","","0.71073","MoKα","","0.0775","0.0379","","","0.0842","0.1049","","","","","","1.074","","","","has coordinates,has disorder","244134","2020-10-21","18:00:00",""
"1556270","12.5877","0.0004","12.5877","0.0004","29.1803","0.0011","90","","90","","120","","4004.2","0.2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H48 F6 O12 S8 Zn -","- C44 H48 F6 O12 S8 Zn -","- C132 H144 F18 O36 S24 Zn3 -","3","0.166667","","Enthaler, Stephan","A straightforward zinc-catalysed reduction of sulfoxides to sulfides","Catalysis Science & Technology","2011","1","1","104","","10.1039/c0cy00039f","","","0.71073","MoKα","","0.0423","0.0301","","","0.0716","0.0746","","","","","","1.001","","","","has coordinates","244135","2020-10-21","18:00:00",""
"1556271","10.5817","0.0004","13.8939","0.0005","19.8576","0.0008","83.554","0.003","88.085","0.003","73.117","0.003","2775.99","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.33 H0 F4 O6.67 S4 Zn0.67 -","- C37.3333 H26.6667 F4 O6.66667 S4 Zn0.666667 -","- C112 H80 F12 O20 S12 Zn2 -","3","1.5","","Enthaler, Stephan","A straightforward zinc-catalysed reduction of sulfoxides to sulfides","Catalysis Science & Technology","2011","1","1","104","","10.1039/c0cy00039f","","","0.71073","MoKα","","0.1276","0.0561","","","0.101","0.1177","","","","","","0.821","","","","has coordinates","244135","2020-10-21","18:00:00",""
"1556272","22.1091","0.0011","10.4184","0.0003","18.2639","0.0008","90","","118.495","0.006","90","","3697.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N O5 P -","- C18 H22 N O5 P -","- C144 H176 N8 O40 P8 -","8","1","","Kidwai, Mazaahir; Bhardwaj, Saurav; Mishra, Neeraj Kumar; Jain, Arti; Kumar, Ajeet; Mozzumdar, Subho","Application of mobilized Cu-nanoparticles as heterogeneous catalyst for the synthesis of α-amino phosphonates via A2-P coupling","Catalysis Science & Technology","2011","1","3","426","","10.1039/c0cy00060d","","","0.71073","MoKα","","0.1878","0.1463","","","0.3717","0.4034","","","","","","1.428","","","","has coordinates","244136","2020-10-21","18:00:00",""
"1556273","6.3577","0.0013","9.6425","0.0019","10.788","0.002","91.28","0.004","103.763","0.004","90.641","0.004","642.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Fe N2 O4 -","- C24 H40 Fe N2 O4 -","- C24 H40 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.1044","0.094","","","0.2173","0.2255","","","","","","0.977","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556274","6.344","0.003","9.743","0.005","13.824","0.007","101.95","0.007","92.72","0.008","91.48","0.008","834.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Fe N2 O4 -","- C32 H56 Fe N2 O4 -","- C32 H56 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0494","0.0468","","","0.1131","0.1147","","","","","","1.09","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556275","6.3523","0.001","9.7708","0.0015","15.689","0.003","74.333","0.003","86.777","0.003","88.341","0.003","936","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H64 Fe N2 O4 -","- C36 H64 Fe N2 O4 -","- C36 H64 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0592","0.0484","","","0.1214","0.1368","","","","","","0.859","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556276","6.383","0.003","9.819","0.004","16.098","0.007","76.759","0.007","85.454","0.006","88.787","0.006","979","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H68 Fe N2 O4 -","- C38 H50 Fe N2 O4 -","- C38 H50 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0609","0.0552","","","0.1575","0.1658","","","","","","1.103","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556277","6.3805","0.0008","9.7435","0.0013","17.269","0.002","103.524","0.002","97.318","0.002","91.618","0.002","1033.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H72 Fe N2 O4 -","- C40 H72 Fe N2 O4 -","- C40 H72 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0567","0.0502","","","0.1259","0.1358","","","","","","1.111","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556278","6.418","0.002","9.72","0.003","18.006","0.006","104.624","0.005","98.504","0.006","91.086","0.005","1073.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 Fe N2 O4 -","- C42 H62 Fe N2 O4 -","- C42 H62 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0592","0.0567","","","0.1576","0.1627","","","","","","1.117","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556279","11.337","0.002","15.712","0.003","11.611","0.002","90","","95.49","0.03","90","","2058.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 Co N2 -","- C22 H24 Cl2 Co N2 -","- C88 H96 Cl8 Co4 N8 -","4","1","","Xiao, Tianpengfei; Lai, Jingjuan; Zhang, Shu; Hao, Xiang; Sun, Wen-Hua","2-(1-Aryliminopropylidene)quinolylcobalt(ii) dichlorides: synthesis, characterization and catalytic behaviour towards ethylene","Catalysis Science & Technology","2011","1","3","462","","10.1039/c1cy00028d","","","0.71073","MoKα","","","0.0574","","","0.1313","0.1336","","","","","","1.2","","","","has coordinates,has disorder","244144","2020-10-21","18:00:00",""
"1556280","10.125","0.002","16.885","0.003","13.533","0.003","90","","90.01","0.03","90","","2313.6","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl2 Co N2 -","- C24 H28 Cl2 Co N2 -","- C96 H112 Cl8 Co4 N8 -","4","1","","Xiao, Tianpengfei; Lai, Jingjuan; Zhang, Shu; Hao, Xiang; Sun, Wen-Hua","2-(1-Aryliminopropylidene)quinolylcobalt(ii) dichlorides: synthesis, characterization and catalytic behaviour towards ethylene","Catalysis Science & Technology","2011","1","3","462","","10.1039/c1cy00028d","","","0.71073","MoKα","","","0.0537","","","0.1082","0.1117","","","","","","1.113","","","","has coordinates,has disorder","244144","2020-10-21","18:00:00",""
"1556281","8.4832","0.0012","11.5025","0.0016","24.14","0.003","90","","94.873","0.012","90","","2347","0.6","180","","180","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N O4 V -","- C24 H34 N O4 V -","- C96 H136 N4 O16 V4 -","4","1","","Lorber, Christian; Despagnet-Ayoub, Emmanuelle; Vendier, Laure; Arbaoui, Abdessamad; Redshaw, Carl","Amine influence in vanadium-based ethylene polymerisation pro-catalysts bearing bis(phenolate) ligands with ‘pendant’ arms","Catalysis Science & Technology","2011","1","3","489","","10.1039/c1cy00089f","","","0.71073","MoKα","","0.1833","0.0681","","","0.1089","0.1377","","","","","","0.959","","","","has coordinates","244145","2020-10-21","18:00:00",""
"1556282","23.852","0.005","13.832","0.003","16.89","0.003","90","","118.68","0.03","90","","4889","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl2 N2 O Ti -","- C26 H26 Cl2 N2 O Ti -","- C208 H208 Cl16 N16 O8 Ti8 -","8","1","","Huang, Wei; Li, Baixiang; Wang, Youhong; Zhang, Wenjuan; Wang, Lin; Li, Yuesheng; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene (co-)polymerization behavior of half-titanocene 2-(1-(arylimino)ethyl)quinolin-8-olate chlorides","Catalysis Science & Technology","2011","1","7","1208","","10.1039/c1cy00193k","","","0.71073","MoKα","","","0.0673","","","0.1805","0.1862","","","","","","1.191","","","","has coordinates","244146","2020-10-21","18:00:00",""
"1556283","17.098","0.003","8.1446","0.0016","17.624","0.004","90","","98.7","0.03","90","","2426","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 N2 O Ti -","- C27 H28 Cl2 N2 O Ti -","- C108 H112 Cl8 N8 O4 Ti4 -","4","1","","Huang, Wei; Li, Baixiang; Wang, Youhong; Zhang, Wenjuan; Wang, Lin; Li, Yuesheng; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene (co-)polymerization behavior of half-titanocene 2-(1-(arylimino)ethyl)quinolin-8-olate chlorides","Catalysis Science & Technology","2011","1","7","1208","","10.1039/c1cy00193k","","","0.71073","MoKα","","0.0771","0.0712","","","0.172","0.1799","","","","","","1.247","","","","has coordinates,has disorder","244146","2020-10-21","18:00:00",""
"1556284","8.4783","0.0003","11.6061","0.0004","13.1535","0.0005","67.125","0.004","89.797","0.003","68.971","0.004","1099.1","0.09","293","2","293","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C16 H24 Cl2 N2 O4 Pd S2 -","- C16 H24 Cl2 N2 O4 Pd S2 -","- C32 H48 Cl4 N4 O8 Pd2 S4 -","2","1","","Tomás-Mendivil, Eder; Díez, Josefina; Cadierno, Victorio","Conjugate addition of arylboronic acids to α,β-unsaturated carbonyl compounds in aqueous medium using Pd(ii) complexes with dihydroxy-2,2′-bipyridine ligands: homogeneous or heterogeneous nano-catalysis?","Catalysis Science & Technology","2011","1","9","1605","","10.1039/c1cy00214g","","","1.5418","CuKα","","0.0335","0.0313","","","0.0816","0.0839","","","","","","1.06","","","","has coordinates,has disorder","244147","2020-10-21","18:00:00",""
"1556285","7.6738","0.0003","10.4974","0.0004","12.5545","0.0004","112.689","0.003","90.017","0.003","108.646","0.003","875.2","0.06","293","2","293","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C14 H14 Cl2 N2 O5 Pd S -","- C14 H14 Cl2 N2 O5 Pd S -","- C28 H28 Cl4 N4 O10 Pd2 S2 -","2","1","","Tomás-Mendivil, Eder; Díez, Josefina; Cadierno, Victorio","Conjugate addition of arylboronic acids to α,β-unsaturated carbonyl compounds in aqueous medium using Pd(ii) complexes with dihydroxy-2,2′-bipyridine ligands: homogeneous or heterogeneous nano-catalysis?","Catalysis Science & Technology","2011","1","9","1605","","10.1039/c1cy00214g","","","1.5418","CuKα","","0.0288","0.0251","","","0.064","0.0662","","","","","","1.039","","","","has coordinates,has disorder","244147","2020-10-21","18:00:00",""
"1563095","13.3284","0.0005","17.4801","0.0006","18.5447","0.0007","90","","90","","90","","4320.6","0.3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Ge2 N6 S6 Sb2 -","- C6 H24 Ge2 N6 S6 Sb2 -","- C48 H192 Ge16 N48 S48 Sb16 -","8","1","","Powell, Anthony V.; Mackay, Rosalyn","Solvothermal synthesis of a bimetallic thiometallate containing germanium in two oxidation states","Journal of Solid State Chemistry","2011","184","12","3144","3149","10.1016/j.jssc.2011.09.032","","","0.71073","MoKα","","0.0372","0.0313","","0.0384","0.0347","0.0347","","","","","","0.9105","","","","has coordinates","265703","2021-06-03","07:19:08",""
"1563096","14.588","0.002","13.057","0.002","11.8612","0.0019","90","","104.1","0.002","90","","2191.2","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N6 Nd O11 -","- C20 H17 N6 Nd O11 -","- C80 H68 N24 Nd4 O44 -","4","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.0436","0.0321","","","0.0681","0.0739","","","","","","1.056","","","","has coordinates","265705","2021-06-03","07:27:01",""
"1563097","14.6523","0.0019","13.018","0.0017","11.8102","0.0015","90","","103.795","0.002","90","","2187.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N6 O11 Sm -","- C20 H17 N6 O11 Sm -","- C80 H68 N24 O44 Sm4 -","4","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.0315","0.0247","","","0.0574","0.061","","","","","","1.004","","","","has coordinates","265705","2021-06-03","07:27:02",""
"1563098","14.6753","0.0013","13.012","0.0012","11.7854","0.0011","90","","103.721","0.001","90","","2186.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Eu N6 O11 -","- C20 H17 Eu N6 O11 -","- C80 H68 Eu4 N24 O44 -","4","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.0269","0.0219","","","0.0516","0.0544","","","","","","1.025","","","","has coordinates","265705","2021-06-03","07:27:02",""
"1563099","14.669","0.002","12.988","0.002","11.7707","0.0018","90","","103.621","0.002","90","","2179.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Gd N6 O11 -","- C20 H17 Gd N6 O11 -","- C80 H68 Gd4 N24 O44 -","4","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.0289","0.026","","","0.0683","0.0705","","","","","","1.033","","","","has coordinates","265705","2021-06-03","07:27:02",""
"1563100","16.0045","0.0018","11.9723","0.0013","12.9776","0.0014","90","","111.807","0.001","90","","2308.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Gd N6 O12 -","- C20 H19 Gd N6 O12 -","- C80 H76 Gd4 N24 O48 -","4","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.0473","0.0347","","","0.0801","0.0891","","","","","","1.06","","","","has coordinates","265705","2021-06-03","07:27:02",""
"1563101","15.9862","0.0012","11.975","0.0009","12.9496","0.0009","90","","111.624","0.001","90","","2304.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N6 O12 Tb -","- C20 H19 N6 O12 Tb -","- C80 H76 N24 O48 Tb4 -","4","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.0298","0.0248","","","0.0609","0.0638","","","","","","1.039","","","","has coordinates","265705","2021-06-03","07:27:02",""
"1563102","15.956","0.0017","11.966","0.0013","12.9119","0.0014","90","","111.49","0.001","90","","2293.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Dy N6 O12 -","- C20 H19 Dy N6 O12 -","- C80 H76 Dy4 N24 O48 -","4","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.027","0.0219","","","0.05","0.0525","","","","","","1.028","","","","has coordinates","265705","2021-06-03","07:27:02",""
"1563103","15.914","0.0017","11.9588","0.0013","12.8754","0.0014","90","","111.349","0.001","90","","2282.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Ho N6 O12 -","- C20 H19 Ho N6 O12 -","- C80 H76 Ho4 N24 O48 -","4","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.0242","0.0208","","","0.0516","0.0531","","","","","","1.081","","","","has coordinates","265705","2021-06-03","07:27:03",""
"1563104","15.9024","0.0016","11.9494","0.0012","12.8469","0.0013","90","","111.234","0.001","90","","2275.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Er N6 O12 -","- C20 H19 Er N6 O12 -","- C80 H76 Er4 N24 O48 -","4","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.0264","0.0219","","","0.0518","0.0542","","","","","","1.038","","","","has coordinates","265705","2021-06-03","07:27:03",""
"1563105","11.4107","0.0016","11.6334","0.0016","15.649","0.002","79.718","0.002","79.127","0.002","73.046","0.002","1934.4","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N10 O22 Y2 -","- C30 H34 N10 O22 Y2 -","- C60 H68 N20 O44 Y4 -","2","1","","Cai, Song Liang; Zheng, Sheng Run; Fan, Jun; Tan, Jing Bo; Xiao, Tian Tian; Zhang, Wei-Guang","A series of 2D lanthanide (III) coordination polymers constructed from 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylate","Journal of Solid State Chemistry","2011","184","12","3172","3178","10.1016/j.jssc.2011.09.006","","","0.71073","MoKα","","0.0857","0.0506","","","0.1023","0.1186","","","","","","1.002","","","","has coordinates","265705","2021-06-03","07:27:03",""
"1563106","8.4903","0.001","8.4903","0.001","8.4903","0.001","89.993","0.017","89.993","0.017","89.993","0.017","612.02","0.12","293","2","293","2","","","","","","","","3","R -3 m :R","-P 3* 2","166","CePd3Ga8","","","- Ce Ga8 Pd3 -","- Ce Ga8 Pd3 -","- Ce3 Ga24 Pd9 -","3","0.25","","Macaluso, Robin T.; Francisco, Melanie; Young, David P.; Stadler, Shane; Mitchell, John F.; Geiser, Urs; Hong, Han-yul; Kanatzidis, Mercouri G.","Structure and properties of rhombohedral CePd3Ga8: A variant of the cubic parent compound with BaHg11 structure type","Journal of Solid State Chemistry","2011","184","12","3185","3189","10.1016/j.jssc.2011.10.001","","","0.71073","MoKα","","0.044","0.033","","","0.0742","0.08","","","","","","1.052","","","","has coordinates","265706","2021-06-03","07:31:18",""
"1563107","6.7185","0.0013","7.1205","0.0014","9.626","0.003","90","","115.25","0.02","90","","416.5","0.19","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 B2 Cs2 O7 -","- Al2 B2 Cs2 O7 -","- Al4 B4 Cs4 O14 -","2","0.5","","Feng, Kai; Yin, Wenlong; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of a new cesium aluminum borate, Cs2Al2B2O7","Journal of Solid State Chemistry","2011","184","12","3353","3356","10.1016/j.jssc.2011.10.023","","","0.71073","MoKα","","0.0274","0.0232","","","0.0534","0.0547","","","","","","1.069","","","","has coordinates","265707","2021-06-03","07:43:38",""
"1563108","7.246","0.0003","7.246","0.0003","14.5521","0.0017","90","","90","","120","","661.69","0.09","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- B F O3 Pb2 -","- B F O3 Pb2 -","- B6 F6 O18 Pb12 -","6","0.5","","Zhao, Wenwu; Pan, Shilie; Han, Jian; Yao, Jiyong; Yang, Yun; Li, Junjie; Zhang, Min; Zhang, Lian Han; Hang, Yin","Synthesis, crystal structure and optical properties of the new lead fluoride borate—Pb2BO3F","Journal of Solid State Chemistry","2011","184","11","2849","2853","10.1016/j.jssc.2011.08.024","","","0.71073","MoKα","","0.0176","0.0163","","","0.0367","0.037","","","","","","1.332","","","","has coordinates","265708","2021-06-03","07:49:54",""
"1563109","7.1806","0.0002","7.1806","0.0002","7.1806","0.0002","90","","90","","90","","370.239","0.018","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Strontium chloride","","- Cl2 Sr -","- Cl2.004 Sr -","- Cl8.016 Sr4 -","4","0.0208333","","Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.","High temperature crystal structures and superionic properties of SrCl2, SrBr2, BaCl2 and BaBr2","Journal of Solid State Chemistry","2011","184","11","2925","2935","10.1016/j.jssc.2011.09.004","","","","","","0.0073","","","","","","","","","","","","","","","has coordinates","265709","2021-06-03","08:10:24",""
"1563110","7.54078","0.00005","7.54078","0.00005","7.54078","0.00005","90","","90","","90","","428.794","0.005","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Strontium bromide - beta","","- Br2 Sr -","- Br1.992 Sr -","- Br7.968 Sr4 -","4","0.0208333","","Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.","High temperature crystal structures and superionic properties of SrCl2, SrBr2, BaCl2 and BaBr2","Journal of Solid State Chemistry","2011","184","11","2925","2935","10.1016/j.jssc.2011.09.004","","","","","","0.0045","","","","","","","","","","","","","","","has coordinates","265709","2021-06-03","08:10:27",""
"1563111","7.5469","0.0004","7.5469","0.0004","7.5469","0.0004","90","","90","","90","","429.84","0.04","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Barium chloride - beta","","- Ba Cl2 -","- Ba Cl1.996 -","- Ba4 Cl7.984 -","4","0.0208333","","Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.","High temperature crystal structures and superionic properties of SrCl2, SrBr2, BaCl2 and BaBr2","Journal of Solid State Chemistry","2011","184","11","2925","2935","10.1016/j.jssc.2011.09.004","","","","","","0.0138","","","","","","","","","","","","","","","has coordinates","265709","2021-06-03","08:10:37",""
"1563112","11.6042","0.0001","11.6042","0.0001","7.1306","0.0001","90","","90","","90","","960.188","0.018","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","Strontium bromide - alpha","","- Br2 Sr -","- Br2 Sr -","- Br20 Sr10 -","10","1.25","","Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.","High temperature crystal structures and superionic properties of SrCl2, SrBr2, BaCl2 and BaBr2","Journal of Solid State Chemistry","2011","184","11","2925","2935","10.1016/j.jssc.2011.09.004","","","","","","0.0147","","","","","","","","","","","","","","","has coordinates","265709","2021-06-03","08:10:44",""
"1563113","7.8813","0.0002","4.7369","0.0001","9.436","0.0002","90","","90","","90","","352.274","0.014","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Barium chloride - alpha","","- Ba Cl2 -","- Ba Cl2 -","- Ba4 Cl8 -","4","0.5","","Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.","High temperature crystal structures and superionic properties of SrCl2, SrBr2, BaCl2 and BaBr2","Journal of Solid State Chemistry","2011","184","11","2925","2935","10.1016/j.jssc.2011.09.004","","","","","","0.0143","","","","","","","","","","","","","","","has coordinates","265709","2021-06-03","08:10:57",""
"1563114","8.2756","0.0001","4.9599","0.0001","9.9264","0.0002","90","","90","","90","","407.44","0.013","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Barium bromide","","- Ba Br2 -","- Ba Br2 -","- Ba4 Br8 -","4","0.5","","Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.","High temperature crystal structures and superionic properties of SrCl2, SrBr2, BaCl2 and BaBr2","Journal of Solid State Chemistry","2011","184","11","2925","2935","10.1016/j.jssc.2011.09.004","","","","","","0.0178","","","","","","","","","","","","","","","has coordinates","265709","2021-06-03","08:11:08",""
"1563115","6.4684","0.0013","8.4513","0.0017","14.881","0.003","101.21","0.03","93.96","0.03","90.67","0.03","795.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B22 H2 Li2 O43 Sr8 -","- B22 H2 Li2 O43 Sr8 -","- B22 H2 Li2 O43 Sr8 -","1","0.5","","McMillen, Colin; Heyward, Carla; Giesber, Henry; Kolis, Joseph","Crystal structures of the novel hydrated borates Ba2B5O9(OH), Sr2B5O9(OH) and Li2Sr8B22O41(OH)2","Journal of Solid State Chemistry","2011","184","11","2966","2971","10.1016/j.jssc.2011.08.023","","","0.71073","MoKα","","0.0569","0.0477","","","0.115","0.1214","","","","","","1.037","","","","has coordinates","265710","2021-06-03","08:22:52",""
"1563116","6.497","0.0013","8.418","0.0017","14.177","0.003","90","","94.35","0.03","90","","773.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 H O10 Sr2 -","- B5 H O10 Sr2 -","- B20 H4 O40 Sr8 -","4","1","","McMillen, Colin; Heyward, Carla; Giesber, Henry; Kolis, Joseph","Crystal structures of the novel hydrated borates Ba2B5O9(OH), Sr2B5O9(OH) and Li2Sr8B22O41(OH)2","Journal of Solid State Chemistry","2011","184","11","2966","2971","10.1016/j.jssc.2011.08.023","","","0.71073","MoKα","","0.0367","0.0272","","","0.0598","0.0623","","","","","","1.087","","","","has coordinates","265710","2021-06-03","08:22:53",""
"1563117","6.633","0.0013","8.625","0.0017","14.68","0.003","90","","93.46","0.03","90","","838.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 Ba2 H O10 -","- B5 Ba2 H O10 -","- B20 Ba8 H4 O40 -","4","1","","McMillen, Colin; Heyward, Carla; Giesber, Henry; Kolis, Joseph","Crystal structures of the novel hydrated borates Ba2B5O9(OH), Sr2B5O9(OH) and Li2Sr8B22O41(OH)2","Journal of Solid State Chemistry","2011","184","11","2966","2971","10.1016/j.jssc.2011.08.023","","","0.71073","MoKα","","0.0246","0.0242","","","0.0585","0.0588","","","","","","1.267","","","","has coordinates","265710","2021-06-03","08:22:53",""
"1563118","26.4022","0.0013","26.4022","0.0013","26.4022","0.0013","90","","90","","90","","18404.3","1.6","296","2","296","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C288 H96 Cu48 K8 O420.32 P4 W48 -","- C288 H96 Cu48 K8.64 O420.32 P4 W48 -","- C288 H96 Cu48 K8.64 O420.32 P4 W48 -","1","0.00520833","","Ma, Feng-Ji; Liu, Shu-Xia; Liang, Da-Dong; Ren, Guo-Jian; Wei, Feng; Chen, Ya-Guang; Su, Zhong-Min","Adsorption of volatile organic compounds in porous metal‒organic frameworks functionalized by polyoxometalates","Journal of Solid State Chemistry","2011","184","11","3034","3039","10.1016/j.jssc.2011.09.002","","","0.71073","MoKα","","0.0466","0.0361","","","0.117","0.1236","","","","","","1.1","","","","has coordinates","265711","2021-06-03","08:31:26",""
"1563119","17.506","0.001","4.3356","0.0005","23.061","0.002","90","","99.85","0.01","90","","1724.5","0.3","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","alpha""-(BETS)2[N(CN)2] 2(H2O)","","","- C22 H20 N3 O2 S8 Se8 -","- C22 H20 N3 O2 S8 Se8 -","- C44 H40 N6 O4 S16 Se16 -","2","0.5","","Kushch, N.D.; Buravov, L.I.; Chekhlov, А.N.; Spitsina, N.G.; Kushch, P.P.; Yagubskii, E.B.; Herdtweck, E.; Kobayashi, A.","The first BETS radical cation salts with dicyanamide anion: Crystal growth, structure and conductivity study","Journal of Solid State Chemistry","2011","184","11","3074","3079","10.1016/j.jssc.2011.09.001","","","0.71073","MoKα","","0.0337","0.0256","","0.0745","0.0647","","","","1.105","1.076","1.076","","","","","has coordinates,has disorder","265712","2021-06-03","08:37:40",""
"1563120","17.47","0.002","4.2876","0.0005","11.488","0.001","90","","98.18","0.01","90","","851.75","0.16","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","theta-(BETS)2[N(CN)2] 3.6H2O","","","- C22 H23.2 N3 O3.6 S8 Se8 -","- C22 H16 N3 O3.6 S8 Se8 -","- C22 H16 N3 O3.6 S8 Se8 -","1","0.25","","Kushch, N.D.; Buravov, L.I.; Chekhlov, А.N.; Spitsina, N.G.; Kushch, P.P.; Yagubskii, E.B.; Herdtweck, E.; Kobayashi, A.","The first BETS radical cation salts with dicyanamide anion: Crystal growth, structure and conductivity study","Journal of Solid State Chemistry","2011","184","11","3074","3079","10.1016/j.jssc.2011.09.001","","","0.71073","MoKα","","0.0625","0.0309","","0.0897","0.0568","","","","1.052","1.089","1.089","","","","","has coordinates,has disorder","265712","2021-06-03","08:37:43",""
"1563121","19.4317","0.001","6.0249","0.0003","4.7788","0.0002","90","","103.139","0.005","90","","544.83","0.05","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Co3 O14 P2 Te2 -","- Co3 O14 P2 Te2 -","- Co6 O28 P4 Te4 -","2","0.25","","Zimmermann, Iwan; Kremer, Reinhard K.; Johnsson, Mats","Synthesis, crystal structure and magnetic properties of the open framework compound Co3Te2O2(PO4)2(OH)4","Journal of Solid State Chemistry","2011","184","11","3080","3084","10.1016/j.jssc.2011.09.023","","x-ray","0.71073","MoKα","","0.0394","0.0354","","","0.0919","0.0932","","","","","","1.132","","","","has coordinates","265713","2021-06-03","08:41:24",""
"1563122","11.67058","0.00011","14.1202","0.00013","10.06121","0.00009","90","","90","","90","","1658","0.03","","","","","","","","","","","","3","B m e b","-B 2ab 2","64","","","","- Ba2 O22 Ti13 -","- Ba2 O22 Ti13 -","- Ba8 O88 Ti52 -","4","0.25","","Kataoka, Kunimitsu; Kijima, Norihito; Hayakawa, Hiroshi; Iyo, Akira; Ohshima, Ken-ichi; Akimoto, Junji","Synthesis, structure and physical properties of reduced barium titanate Ba2Ti13O22","Journal of Solid State Chemistry","2011","184","11","3117","3120","10.1016/j.jssc.2011.09.008","powder diffraction","","","","","","","","","","","","","","","","1.98","","","","has coordinates","265714","2021-06-03","08:49:38",""
"1563123","8.0545","0.0008","8.3622","0.0009","5.8755","0.0006","90","","90.0012","0.0015","90","","395.73","0.07","120","2","120","2","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","libethenite","","Libethenite","- Cu2 H O5 P -","- Cu2 H O5 P -","- Cu8 H4 O20 P4 -","4","1","","Belik, Alexei A.; Naumov, Panče; Kim, Jungeun; Tsuda, Shunsuke","Low-temperature structural phase transition in synthetic libethenite Cu2PO4OH","Journal of Solid State Chemistry","2011","184","11","3128","3133","10.1016/j.jssc.2011.09.026","","","0.71073","MoKα","","0.0316","0.0311","","","0.079","0.0793","","","","","","1.173","","","","has coordinates","288341","2023-12-15","12:08:25",""
"1563124","8.0553","0.0008","8.375","0.0009","5.8818","0.0006","90","","90","","90","","396.8","0.07","180","2","180","2","","","","","","","Synthetic","4","P n n m","-P 2 2n","58","libethenite","","Libethenite","- Cu2 H O5 P -","- Cu2 H O5 P -","- Cu8 H4 O20 P4 -","4","0.5","","Belik, Alexei A.; Naumov, Panče; Kim, Jungeun; Tsuda, Shunsuke","Low-temperature structural phase transition in synthetic libethenite Cu2PO4OH","Journal of Solid State Chemistry","2011","184","11","3128","3133","10.1016/j.jssc.2011.09.026","","","0.71073","MoKα","","0.0276","0.0273","","","0.0729","0.0732","","","","","","1.384","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1563125","16.1787","0.0008","5.0669","0.0003","7.8694","0.0004","90","","115.087","0.003","90","","584.25","0.06","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","alpha-Strontium Germanium Diphosphate","Strontium Germanium Diphosphate","","- Ge O8 P2 Sr -","- Ge O8 P2 Sr -","- Ge4 O32 P8 Sr4 -","4","0.5","","Popa, Karin; Wallez, Gilles; Bregiroux, Damien; Loiseau, Pascal","MIIGe(PO4)2 (M=Ca, Sr, Ba): Crystal structure, phase transitions and thermal expansion","Journal of Solid State Chemistry","2011","184","10","2629","2634","10.1016/j.jssc.2011.07.037","powder diffraction","","1.5418","CuKα","","","","","","","","","5.2236","26.2684","","","","","","","has coordinates","265716","2021-06-03","09:13:53",""
"1563126","7.9671","0.0002","5.0757","0.0002","7.7146","0.0002","90","","94.954","0.002","90","","310.802","0.017","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Barium Germanium Diphosphate","Barium Germanium Diphosphate","","- Ba Ge O8 P2 -","- Ba Ge O8 P2 -","- Ba2 Ge2 O16 P4 -","2","0.25","","Popa, Karin; Wallez, Gilles; Bregiroux, Damien; Loiseau, Pascal","MIIGe(PO4)2 (M=Ca, Sr, Ba): Crystal structure, phase transitions and thermal expansion","Journal of Solid State Chemistry","2011","184","10","2629","2634","10.1016/j.jssc.2011.07.037","powder diffraction","","1.5418","CuKα","","","","","","","","","4.3518","9.9265","","","","","","","has coordinates","265716","2021-06-03","09:13:54",""
"1563127","7.8695","0.0005","5.0724","0.0004","7.3566","0.0005","90","","94.064","0.004","90","","292.92","0.04","473","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","beta-Strontium Germanium Diphosphate","Strontium Germanium Diphosphate","","- Ge O8 P2 Sr -","- Ge O8 P2 Sr -","- Ge2 O16 P4 Sr2 -","2","0.25","","Popa, Karin; Wallez, Gilles; Bregiroux, Damien; Loiseau, Pascal","MIIGe(PO4)2 (M=Ca, Sr, Ba): Crystal structure, phase transitions and thermal expansion","Journal of Solid State Chemistry","2011","184","10","2629","2634","10.1016/j.jssc.2011.07.037","powder diffraction","","1.5418","CuKα","","","","","","","","","4.4493","18.9487","","","","","","","has coordinates","265716","2021-06-03","09:13:54",""
"1563128","15.706","0.002","5.0682","0.0006","7.7713","0.0009","90","","117.029","0.006","90","","551.04","0.12","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Calcium Germanium Diphosphate","Calcium Germanium Diphosphate","","- Ca Ge O8 P2 -","- Ca Ge O8 P2 -","- Ca4 Ge4 O32 P8 -","4","0.5","","Popa, Karin; Wallez, Gilles; Bregiroux, Damien; Loiseau, Pascal","MIIGe(PO4)2 (M=Ca, Sr, Ba): Crystal structure, phase transitions and thermal expansion","Journal of Solid State Chemistry","2011","184","10","2629","2634","10.1016/j.jssc.2011.07.037","powder diffraction","","1.5418","CuKα","","","","","","","","","6.1355","19.1607","","","","","","","has coordinates","265716","2021-06-03","09:13:54",""
"1563129","6.259529","0.000047","11.7254","0.0001","8.493747","0.000061","90","","90","","90","","623.403","0.008","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","beta Trimanganese Bis(vanadate(V))","","- Mn3 O8 V2 -","- Mn3 O8 V2 -","- Mn12 O32 V8 -","4","0.25","","Clemens, Oliver; Haberkorn, Robert; Beck, Horst Philipp","New phases in the system LiMnVO4–Mn3(VO4)2","Journal of Solid State Chemistry","2011","184","10","2640","2647","10.1016/j.jssc.2011.07.042","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","288179","2023-12-08","10:00:50",""
"1563130","7.0073","0.00002","7.0073","0.00002","19.6981","0.00008","90","","90","","90","","967.221","0.006","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","alpha Trimanganese Bis(vanadate(V))","","- Mn3 O8 V2 -","- Mn2.994 O8 V2 -","- Mn17.964 O48 V12 -","6","0.375","","Clemens, Oliver; Haberkorn, Robert; Beck, Horst Philipp","New phases in the system LiMnVO4–Mn3(VO4)2","Journal of Solid State Chemistry","2011","184","10","2640","2647","10.1016/j.jssc.2011.07.042","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","288179","2023-12-08","10:00:50",""
"1563178","30.369","0.011","21.53","0.01","11.891","0.005","90","","113.05","","90","","7154","5","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C4 H52 As4 Fe8 N4 O130 W30 -","- C4 H20 As4 Fe8 N4 O130 W30 -","- C8 H40 As8 Fe16 N8 O260 W60 -","2","0.25","","Zhao, Junwei; Han, Qiuxia; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, structure and magnetism of a S-shaped multi-iron substituted arsenotungstate containing a trivacant Keggin [B-α-AsVW9O34]9− and a hexavacant Keggin [α-AsVW6O26]11− fragments","Journal of Solid State Chemistry","2011","184","10","2756","2761","10.1016/j.jssc.2011.08.016","","","0.71073","MoKα","","0.1897","0.097","","","0.2098","0.2303","","","","","","1.053","","","","has coordinates","266209","2021-06-07","07:38:38",""
"1563179","4.422","0.001","4.422","0.001","37.524","0.003","90","","90","","120","","635.4","0.2","298","","298","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B6 Be12 F12 K6 O18 -","6","0.166667","","Yu, Jinqiu; Liu, Lijuan; Jin, Shifeng; Zhou, Haitao; He, Xiaoling; Zhang, Changlong; Zhou, Weining; Wang, Xiaoyang; Chen, Xiaolong; Chen, Chuangtian","Superstructure and stacking faults in hydrothermal-grown KBe2BO3F2 crystals","Journal of Solid State Chemistry","2011","184","10","2790","2793","10.1016/j.jssc.2011.08.025","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","10.3049","","","","","","","","has coordinates","266210","2021-06-07","07:46:24",""
"1563180","13.5536","0.0011","18.4678","0.0017","9.2509","0.0008","90","","90","","90","","2315.5","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- H6 O15 S3 Yb2 -","- O15 S3 Yb2 -","- O120 S24 Yb16 -","8","1","","Mills, Stuart J.; Petříček, Václav; Kampf, Anthony R.; Herbst-Imer, Regine; Raudsepp, Mati","The crystal structure of Yb2(SO4)3·3H2O and its decomposition product, β-Yb2(SO4)3","Journal of Solid State Chemistry","2011","184","9","2322","2328","10.1016/j.jssc.2011.06.018","","","0.71073","MoKα","","0.015","0.0145","","","0.0292","0.0293","","","","","","1.072","","","","has coordinates","266211","2021-06-07","08:01:28",""
"1563181","18.1958","","18.1958","","22.2853","","90","","90","","120","","6389.86","","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- O48 S12 Yb8 -","- O12 S3 Yb2 -","- O288 S72 Yb48 -","24","1.33333","","Mills, Stuart J.; Petříček, Václav; Kampf, Anthony R.; Herbst-Imer, Regine; Raudsepp, Mati","The crystal structure of Yb2(SO4)3·3H2O and its decomposition product, β-Yb2(SO4)3","Journal of Solid State Chemistry","2011","184","9","2322","2328","10.1016/j.jssc.2011.06.018","","","0.71073","MoKα","","0.1483","0.0755","","","0.0776","0.0812","","","","2.77","2.77","2.15","","","","has coordinates","266211","2021-06-07","08:01:29",""
"1563182","12.7423","0.0008","34.469","0.002","7.2327","0.0005","90","","90","","90","","3176.7","0.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H12 N2 O8 Zn -","- C16 H12 N2 O8 Zn -","- C128 H96 N16 O64 Zn8 -","8","0.5","","Yang, Caiqin; Wang, Jing; Wang, Wei; Zhan, Wenhong","Deliberate design of an acentric diamondoid metal-organic network","Journal of Solid State Chemistry","2011","184","9","2485","2489","10.1016/j.jssc.2011.07.018","","","0.71073","MoKα","","0.0308","0.0292","","","0.0763","0.0774","","","","","","1.081","","","","has coordinates","266212","2021-06-07","08:36:52",""
"1563183","8.297","0.0017","7.596","0.0015","17.268","0.004","90","","90","","90","","1088.3","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Lithiumborate","","","- B3 Li O5 -","- B3 Li O5 -","- B48 Li16 O80 -","16","2","","Neumair, Stephanie C.; Vanicek, Stefan; Kaindl, Reinhard; Többens, Daniel M.; Wurst, Klaus; Huppertz, Hubert","High-pressure synthesis and crystal structure of the lithium borate HP-LiB3O5","Journal of Solid State Chemistry","2011","184","9","2490","2497","10.1016/j.jssc.2011.07.011","","","0.71073","MoKα","","0.0358","0.03","","","0.0772","0.0808","","","","","","1.038","","","","has coordinates","266213","2021-06-07","08:41:27",""
"1563184","5.8264","0.0003","16.8397","0.0008","13.8739","0.0007","90","","90","","90","","1361.24","0.12","293","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Pd2 Sn2 Yb3 -","- Pd2 Sn2 Yb3 -","- Pd16 Sn16 Yb24 -","8","1","","Solokha, P.; Čurlik, I.; Giovannini, M.; Lee-Hone, N.R.; Reiffers, M.; Ryan, D.H.; Saccone, A.","Structural and physical properties of the new intermetallic compound Yb3Pd2Sn2","Journal of Solid State Chemistry","2011","184","9","2498","2505","10.1016/j.jssc.2011.07.031","powder diffraction","","","X-ray","","","","","","","","","8.485","","","","","","","","has coordinates","266214","2021-06-07","08:51:55",""
"1563185","14.194","0.003","14.194","0.003","24.818","0.006","90","","90","","90","","5000.1","1.9","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C4 H14 B4 Co2 N4 O27 P6 -","- C4 H14 B4 Co2 N4 O27 P6 -","- C32 H112 B32 Co16 N32 O216 P48 -","8","0.5","","Liu, Wei; Guo, Xiang-Qin; Su, Ge; Cao, Li-Xin; Wang, Yong-Gang; Duan, Jing-Rui","A new organically-templated cobalt borophosphate with a novel borophosphatic anionic partial structure","Journal of Solid State Chemistry","2011","184","9","2538","2542","10.1016/j.jssc.2011.07.032","","","0.71073","MoKα","","0.1278","0.0779","","","0.1445","0.1644","","","","","","1.092","","","","has coordinates","266215","2021-06-07","09:14:33",""
"1563186","9.58096","0.00001","11.59048","0.00002","4.95688","0.00001","90","","91.082","0.0001","90","","550.353","0.0016","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- In Li O8 W2 -","- In Li O8 W2 -","- In4 Li4 O32 W8 -","4","0.5","","Asiri Naidu, S.; Boudin, S.; Varadaraju, U.V.; Raveau, B.","Host-sensitized emission of LiInW2O8 wolframites: From red-Eu3+ to white-Dy3+ phosphors","Journal of Solid State Chemistry","2011","184","9","2566","2570","10.1016/j.jssc.2011.07.029","powder diffraction","","1.5418","CuKα","","0.0533","","","","","","","0.0837","","","","","","","","has coordinates","266216","2021-06-07","09:22:08",""
"1563187","3.8419","0.0005","3.8419","0.0005","3.8419","0.0005","90","","90","","90","","56.707","0.013","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Cd Co3 N -","- Cd Co3 N -","- Cd Co3 N -","1","0.0208333","","He, Bing; Dong, Cheng; Yang, Lihong; Ge, Linhui; Chen, Hong","Preparation and physical properties of antiperovskite-type compounds CdNCo3−zNiz (0≤z≤3)","Journal of Solid State Chemistry","2011","184","8","1939","1945","10.1016/j.jssc.2011.05.051","","","","","","","","","","","","","","","","","","","","","has coordinates","266217","2021-06-07","09:31:22",""
"1563188","3.8483","0.0003","3.8483","0.0003","3.8483","0.0003","90","","90","","90","","56.991","0.008","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Cd N Ni3 -","- Cd N Ni3 -","- Cd N Ni3 -","1","0.0208333","","He, Bing; Dong, Cheng; Yang, Lihong; Ge, Linhui; Chen, Hong","Preparation and physical properties of antiperovskite-type compounds CdNCo3−zNiz (0≤z≤3)","Journal of Solid State Chemistry","2011","184","8","1939","1945","10.1016/j.jssc.2011.05.051","","","","","","","","","","","","","","","","","","","","","has coordinates","266218","2021-06-07","09:32:30",""
"1563189","9.522","0.0003","11.879","0.0003","12.6141","0.0003","73.082","0.002","81.1","0.002","78.073","0.002","1328.75","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 Cd2 N12 O28 -","- C44 H36 Cd2 N12 O28 -","- C44 H36 Cd2 N12 O28 -","1","0.5","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Wang, Dong-Jie; Han, Lei; Cao, Rong","Di-, tri-, tetranuclear clusters and polymeric cadmium compounds: Syntheses, structures and fluorescent properties with various linking fashions and high stability of orotates under the condition of strong bases","Journal of Solid State Chemistry","2011","184","8","1963","1971","10.1016/j.jssc.2011.05.031","","","0.71073","MoKα","","0.0373","0.0325","","","0.0886","0.0902","","","","","","1.158","","","","has coordinates","266219","2021-06-07","09:37:23",""
"1563190","15.448","0.003","15.639","0.003","16.641","0.003","64.025","0.002","85.352","0.002","79.399","0.002","3552.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H68 Cd3 N14 O21 -","- C70 H42 Cd3 N14 O21 -","- C140 H84 Cd6 N28 O42 -","2","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Wang, Dong-Jie; Han, Lei; Cao, Rong","Di-, tri-, tetranuclear clusters and polymeric cadmium compounds: Syntheses, structures and fluorescent properties with various linking fashions and high stability of orotates under the condition of strong bases","Journal of Solid State Chemistry","2011","184","8","1963","1971","10.1016/j.jssc.2011.05.031","","","0.71073","MoKα","","0.1236","0.0549","","","0.1399","0.1808","","","","","","0.952","","","","has coordinates","266219","2021-06-07","09:37:23",""
"1563191","7.0318","0.0002","11.1243","0.0002","22.1885","0.0006","90","","94.215","0.003","90","","1730.98","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Cd4 N8 O28 -","- C20 H32 Cd4 N8 O28 -","- C40 H64 Cd8 N16 O56 -","2","0.5","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Wang, Dong-Jie; Han, Lei; Cao, Rong","Di-, tri-, tetranuclear clusters and polymeric cadmium compounds: Syntheses, structures and fluorescent properties with various linking fashions and high stability of orotates under the condition of strong bases","Journal of Solid State Chemistry","2011","184","8","1963","1971","10.1016/j.jssc.2011.05.031","","","0.71073","MoKα","","0.0272","0.0247","","","0.06","0.0609","","","","","","1.116","","","","has coordinates","266219","2021-06-07","09:37:24",""
"1563192","10.6312","0.0006","14.3635","0.0007","11.586","0.0006","90","","91.399","0.005","90","","1768.67","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cd N4 O6 -","- C17 H14 Cd N4 O6 -","- C68 H56 Cd4 N16 O24 -","4","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Wang, Dong-Jie; Han, Lei; Cao, Rong","Di-, tri-, tetranuclear clusters and polymeric cadmium compounds: Syntheses, structures and fluorescent properties with various linking fashions and high stability of orotates under the condition of strong bases","Journal of Solid State Chemistry","2011","184","8","1963","1971","10.1016/j.jssc.2011.05.031","","","0.71073","MoKα","","0.0284","0.026","","","0.0635","0.0651","","","","","","1.087","","","","has coordinates","266219","2021-06-07","09:37:24",""
"1563193","8.277","0.002","8.559","0.002","6.0387","0.001","90","","90","","90","","427.8","0.16","293","2","293","2","","","","","","","synthesis as described","4","P n n m","-P 2 2n","58","","","","- As Co2 H O5 -","- As Co2 H O5 -","- As4 Co8 H4 O20 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Pizarro, J.L.; Rodríguez Fernández, J.; Arriortua, M.I.; Rojo, T.","Magnetostructural correlations in the antiferromagnetic Co2−x Cux(OH)AsO4 (x=0 and 0.3) phases","Journal of Solid State Chemistry","2011","184","8","2075","2082","10.1016/j.jssc.2011.05.060","","x-ray","0.71073","MoKα","","0.0408","0.0208","","","0.0399","0.0442","","","","","","0.903","","","","has coordinates","266220","2021-06-07","09:46:44",""
"1563194","8.3156","0.0009","8.5234","0.0018","6.0468","0.0007","90","","90","","90","","428.58","0.11","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- As Co1.7 Cu0.3 H O5 -","- As Co1.77 Cu0.23 H O5 -","- As4 Co7.08 Cu0.92 H4 O20 -","4","0.5","","de Pedro, I.; Rojo, J.M.; Pizarro, J.L.; Rodríguez Fernández, J.; Arriortua, M.I.; Rojo, T.","Magnetostructural correlations in the antiferromagnetic Co2−x Cux(OH)AsO4 (x=0 and 0.3) phases","Journal of Solid State Chemistry","2011","184","8","2075","2082","10.1016/j.jssc.2011.05.060","","","0.71073","MoKα","","0.0445","0.027","","","0.0514","0.0561","","","","","","0.975","","","","has coordinates","266220","2021-06-07","09:46:44",""
"1563195","5.0628","0.0004","5.0628","0.0004","5.0628","0.0004","90","","90","","90","","129.769","0.018","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","Calcium nitride deuteride","","","- Ca2 D0.9 H0.1 N -","- Ca2 D0.9 H0.1 N -","- Ca4 D1.8 H0.2 N2 -","2","0.0104167","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","5.3794","","","","","","","","has coordinates","266221","2021-06-07","09:55:52",""
"1563196","4.8174","0.0004","4.8174","0.0004","4.8174","0.0004","90","","90","","90","","111.799","0.016","293","","293","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Calcium oxide","","","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","16.6889","","","","","","","","has coordinates","266221","2021-06-07","09:55:52",""
"1563197","3.591403","0.000009","3.591403","0.000009","17.5936794","0.0000005","90","","90","","120","","196.524","0.0007","293","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","Calcium nitride deuteride","","","- Ca2 D0.9 H0.1 N -","- Ca2 D0.901 H0.101 N -","- Ca6 D2.703 H0.303 N3 -","3","0.0833333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.8422","","","","","","","","has coordinates","266221","2021-06-07","09:55:52",""
"1563198","5.0819","0.0005","5.0819","0.0005","5.0819","0.0005","90","","90","","90","","131.24","0.02","523","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","Calcium nitride deuteride","","","- Ca2 D0.9 H0.1 N -","- Ca2 D0.9 H0.1 N -","- Ca4 D1.8 H0.2 N2 -","2","0.0104167","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.1188","","","","","","","","has coordinates","266223","2021-06-07","09:57:52",""
"1563199","4.8307","0.0004","4.8307","0.0004","4.8307","0.0004","90","","90","","90","","112.728","0.016","523","","293","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Calcium oxide","","","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","12.5951","","","","","","","","has coordinates","266223","2021-06-07","09:58:02",""
"1563200","3.6044","0.00001","3.6044","0.00001","17.65817","0.00088","90","","90","","120","","198.675","0.01","523","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","Calcium nitride deuteride","","","- Ca2 D0.9 H0.1 N -","- Ca2 D0.991 N -","- Ca6 D2.973 N3 -","3","0.0833333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.5337","","","","","","","","has coordinates","266223","2021-06-07","09:58:05",""
"1563201","5.1001","0.0005","5.1001","0.0005","5.1001","0.0005","90","","90","","90","","132.66","0.02","723","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","Calcium nitride deuteride","","","- Ca2 D0.9 H0.1 N -","- Ca2 D0.9 H0.1 N -","- Ca4 D1.8 H0.2 N2 -","2","0.0104167","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.6149","","","","","","","","has coordinates","266224","2021-06-07","10:00:07",""
"1563202","4.8434","0.0003","4.8434","0.0003","4.8434","0.0003","90","","90","","90","","113.619","0.012","723","","293","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Calcium oxide","","","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","14.7002","","","","","","","","has coordinates","266224","2021-06-07","10:00:08",""
"1563203","3.61525","0.00001","3.61525","0.00001","17.71161","0.00121","90","","90","","120","","200.477","0.014","723","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","Calcium nitride deuteride","","","- Ca2 D0.9 H0.1 N -","- Ca2 D0.899 H0.1 N -","- Ca6 D2.697 H0.3 N3 -","3","0.0833333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.3281","","","","","","","","has coordinates","266224","2021-06-07","10:00:08",""
"1563204","3.62633","0.00001","3.62633","0.00001","17.7665176","0.0000004","90","","90","","120","","202.333","0.0008","923","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","Calcium nitride deuteride","","","- Ca2 D0.76 H0.08 N -","- Ca2 D0.756 H0.084 N -","- Ca6 D2.268 H0.252 N3 -","3","0.0833333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","5.0708","","","","","","","","has coordinates","266225","2021-06-07","10:01:36",""
"1563205","4.8561","0.0004","4.8561","0.0004","4.8561","0.0004","90","","90","","90","","114.515","0.016","923","","293","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Calcium oxide","","","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.","Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study","Journal of Solid State Chemistry","2011","184","8","2088","2096","10.1016/j.jssc.2011.05.062","powder diffraction","","1.91137","ConstantWavelengthNeutronDiffraction","","","","","","","","","15.7994","","","","","","","","has coordinates","266225","2021-06-07","10:01:36",""
"1563208","29.107","0.002","17.1516","0.0012","21.5943","0.0015","90","","110.371","0.003","90","","10106.3","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cu2 N4 O10 S -","- C20 H28 Cu2 N4 O10 S -","- C320 H448 Cu32 N64 O160 S16 -","16","4","","Shi, Fa-Nian; Silva, Ana Rosa; Rocha, João","Metal-organic framework based on copper(I) sulfate and 4,4′-bipyridine catalyzes the cyclopropanation of styrene","Journal of Solid State Chemistry","2011","184","8","2196","2203","10.1016/j.jssc.2011.06.023","","","0.71073","MoKα","","0.0914","0.0524","","","0.1197","0.1376","","","","","","1.018","","","","has coordinates","266255","2021-06-08","07:37:02",""
"1563209","4.621","0.002","35.8","0.03","4.688","0.003","90","","90","","90","","775.5","0.9","293","2","293","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- La4 Sn10 -","- La4 Sn10 -","- La8 Sn20 -","2","0.125","","Dürr, Ines; Schwarz, Michael; Röhr, Caroline","The binary tin-rich lanthanum stannides La2Sn5 and La3Sn7—A structural and bond theoretical study","Journal of Solid State Chemistry","2011","184","8","2220","2230","10.1016/j.jssc.2011.06.035","","","0.7107","MoKα","","0.2838","0.2232","","","0.5057","0.5231","","","","","","1.251","","","","has coordinates","266256","2021-06-08","07:42:54",""
"1563210","4.592","0.004","26.19","0.02","4.681","0.005","90","","90","","90","","563","0.9","293","2","293","2","","","","","","","","2","C m m m","-C 2 2","65","","","","- La3 Sn7 -","- La1.5 Sn3.5 -","- La6 Sn14 -","4","0.25","","Dürr, Ines; Schwarz, Michael; Röhr, Caroline","The binary tin-rich lanthanum stannides La2Sn5 and La3Sn7—A structural and bond theoretical study","Journal of Solid State Chemistry","2011","184","8","2220","2230","10.1016/j.jssc.2011.06.035","","","0.7107","MoKα","","0.3058","0.2713","","","0.4275","0.4543","","","","","","1.441","","","","has coordinates","266256","2021-06-08","07:42:55",""
"1563211","3.22508","0.00004","3.22508","0.00004","31.7193","0.0004","90","","90","","120","","285.716","0.006","298","","298","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Aluminum silicon oxycarbonitride","","- C3.46 Al5.82 N1.5 O1.04 Si1.18 -","- C3.48 Al5.824 N1.5 O1.02 Si1.176 -","- C6.96 Al11.648 N3 O2.04 Si2.352 -","2","0.0833333","","Urushihara, Daisuke; Kaga, Motoaki; Asaka, Toru; Nakano, Hiromi; Fukuda, Koichiro","Synthesis and structural characterization of Al7C3N3-homeotypic aluminum silicon oxycarbonitride, (Al7−xSix)(OyCzN6−y−z) (x∼1.2, y∼1.0 and z∼3.5)","Journal of Solid State Chemistry","2011","184","8","2278","2284","10.1016/j.jssc.2011.06.030","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","266257","2021-06-08","07:52:59",""
"1563212","18.2127","0.0009","11.1669","0.0005","14.4705","0.0007","90","","90","","90","","2943","0.2","298","2","571","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thorium Sulfate Hydroxide Hydrate","","- H18 O38 S7 Th4 -","- O38 S7 Th4 -","- O152 S28 Th16 -","4","0.5","","Albrecht, Amanda J.; Sigmon, Ginger E.; Moore-Shay, Laura; Wei, Rebecca; Dawes, Colleen; Szymanowski, Jennifer; Burns, Peter C.","The crystal chemistry of four thorium sulfates","Journal of Solid State Chemistry","2011","184","7","1591","1597","10.1016/j.jssc.2011.04.024","","","0.71073","MoKα","","0.0426","0.0306","","","0.0648","0.0694","","","","","","1.032","","","","has coordinates","266258","2021-06-08","08:22:48",""
"1563213","16.639","0.002","9.0809","0.0011","25.078","0.003","90","","95.322","0.002","90","","3772.9","0.8","298","2","571","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium Thorium Sulfate Hydrate","","- H16 Na4 O48 S10 Th4 -","- Na3 O48 S10 Th4 -","- Na12 O192 S40 Th16 -","4","0.5","","Albrecht, Amanda J.; Sigmon, Ginger E.; Moore-Shay, Laura; Wei, Rebecca; Dawes, Colleen; Szymanowski, Jennifer; Burns, Peter C.","The crystal chemistry of four thorium sulfates","Journal of Solid State Chemistry","2011","184","7","1591","1597","10.1016/j.jssc.2011.04.024","","","0.71073","MoKα","","0.0404","0.0322","","","0.0722","0.0758","","","","","","1.039","","","","has coordinates","266258","2021-06-08","08:22:59",""
"1563214","17.842","0.002","6.9317","0.0008","27.55","0.003","90","","90","","90","","3407.3","0.7","298","2","571","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Na10 O41 S9 Th2 -","- Na10 O41 S9 Th2 -","- Na40 O164 S36 Th8 -","4","1","","Albrecht, Amanda J.; Sigmon, Ginger E.; Moore-Shay, Laura; Wei, Rebecca; Dawes, Colleen; Szymanowski, Jennifer; Burns, Peter C.","The crystal chemistry of four thorium sulfates","Journal of Solid State Chemistry","2011","184","7","1591","1597","10.1016/j.jssc.2011.04.024","","","0.71073","MoKα","","0.0873","0.0518","","","0.1017","0.1162","","","","","","1.018","","","","has coordinates","266258","2021-06-08","08:23:10",""
"1563215","7.2488","0.0004","12.1798","0.0007","8.0625","0.0005","90","","98.245","0.001","90","","704.47","0.07","298","2","571","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Thorium Disulfate Hydrate","","- H18 O17 S2 Th -","- H18 O17 S2 Th -","- H36 O34 S4 Th2 -","2","0.5","","Albrecht, Amanda J.; Sigmon, Ginger E.; Moore-Shay, Laura; Wei, Rebecca; Dawes, Colleen; Szymanowski, Jennifer; Burns, Peter C.","The crystal chemistry of four thorium sulfates","Journal of Solid State Chemistry","2011","184","7","1591","1597","10.1016/j.jssc.2011.04.024","","","0.71073","MoKα","","0.0144","0.0133","","","0.0309","0.0313","","","","","","1.05","","","","has coordinates","266258","2021-06-08","08:23:10",""
"1563216","7.6707","0.0007","19.1765","0.0017","7.8784","0.0006","90","","115.608","0.005","90","","1045.06","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd K3 O10 -","- B5 Cd K3 O10 -","- B20 Cd4 K12 O40 -","4","1","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Han, Jian; Dong, Xiaoyu; Zhou, Zhongxiang","Synthesis, structure characterization and optical properties of a new tripotassium cadmium pentaborate, K3CdB5O10","Journal of Solid State Chemistry","2011","184","7","1644","1648","10.1016/j.jssc.2011.05.007","","","0.71073","MoKα","","0.047","0.0344","","","0.0834","0.0883","","","","","","1.106","","","","has coordinates","266259","2021-06-08","08:30:28",""
"1563217","9.2","0.003","14.121","0.005","10.33","0.004","90","","91.512","0.004","90","","1341.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H14 B5 N2 O10 -","- C3 H14 B5 N2 O10 -","- C12 H56 B20 N8 O40 -","4","1","","Yang, Yang; Sun, Jiang-Bo; Cui, Miao; Liu, Rui-Bin; Wang, Yu; Meng, Chang-Gong","Synthesis and structure of [C6N4H20]0.5[B5O6(OH)4]: A new organically templated pentaborate with white-light-emission","Journal of Solid State Chemistry","2011","184","7","1666","1670","10.1016/j.jssc.2011.05.001","","","0.71073","MoKα","","0.0925","0.0735","","","0.2249","0.2477","","","","","","0.997","","","","has coordinates","266260","2021-06-08","08:36:22",""
"1563218","16.68","0.005","17.652","0.005","9.512","0.005","90","0.005","90","0.005","90","0.005","2800.7","1.9","293","2","293","2","","","","","","","synthesis as described","3","P b a m","-P 2 2ab","55","","","","- B41 Si1.25 Y -","- B41.042 Si1.25 Y -","- B328.336 Si10 Y8 -","8","1","","Berthebaud, D.; Sato, A.; Michiue, Y.; Mori, T.; Nomura, A.; Shishido, T.; Nakajima, K.","Effect of transition element doping on crystal structure of rare earth borosilicides REB44Si2","Journal of Solid State Chemistry","2011","184","7","1682","1687","10.1016/j.jssc.2011.04.038","","x-ray","0.71073","MoKα","","0.0445","0.0358","","","0.0947","0.107","","","","","","1.131","","","","has coordinates","266261","2021-06-08","08:47:12",""
"1563219","16.708","","17.674","","9.532","","90","","90","","90","","2814.77","","293","","293","","","","","","","","synthesis as described","3","P b a m","-P 2 2ab","55","","","","- B41.2 Si1.42 Y -","- B41.204 Si1.428 Y -","- B329.632 Si11.424 Y8 -","8","1","","Berthebaud, D.; Sato, A.; Michiue, Y.; Mori, T.; Nomura, A.; Shishido, T.; Nakajima, K.","Effect of transition element doping on crystal structure of rare earth borosilicides REB44Si2","Journal of Solid State Chemistry","2011","184","7","1682","1687","10.1016/j.jssc.2011.04.038","","x-ray","0.71073","MoKα","","0.0454","0.0359","","","0.0939","0.106","","","","","","1.084","","","","has coordinates","266261","2021-06-08","08:47:17",""
"1563220","16.673","0.005","17.659","0.005","9.511","0.005","90","0.005","90","0.005","90","0.005","2800.3","1.9","293","2","293","2","","","","","","","synthesis as described","4","P b a m","-P 2 2ab","55","","","","- B41.1 Rh0.02 Si1.1 Y -","- B41.168 Rh0.022 Si1.11 Y -","- B329.344 Rh0.176 Si8.88 Y8 -","8","1","","Berthebaud, D.; Sato, A.; Michiue, Y.; Mori, T.; Nomura, A.; Shishido, T.; Nakajima, K.","Effect of transition element doping on crystal structure of rare earth borosilicides REB44Si2","Journal of Solid State Chemistry","2011","184","7","1682","1687","10.1016/j.jssc.2011.04.038","","x-ray","0.71073","MoKα","","0.0544","0.0407","","","0.1059","0.1207","","","","","","1.105","","","","has coordinates","266261","2021-06-08","08:47:20",""
"1563221","16.702","0.005","17.666","0.005","9.522","0.005","90","","90","","90","","2809.5","1.9","293","2","293","2","","","","","","","synthesis as described","4","P b a m","-P 2 2ab","55","","","","- B41 Ni0.06 Si1.33 Y -","- B41.0115 Ni0.061 Si1.335 Y -","- B328.092 Ni0.488 Si10.68 Y8 -","8","1","","Berthebaud, D.; Sato, A.; Michiue, Y.; Mori, T.; Nomura, A.; Shishido, T.; Nakajima, K.","Effect of transition element doping on crystal structure of rare earth borosilicides REB44Si2","Journal of Solid State Chemistry","2011","184","7","1682","1687","10.1016/j.jssc.2011.04.038","","x-ray","0.71073","MoKα","","0.0548","0.0469","","","0.1079","0.1183","","","","","","1.164","","","","has coordinates","266261","2021-06-08","08:47:22",""
"1563222","13.317","0.002","10.5909","0.0017","11.8134","0.0019","90","","90","","90","","1666.2","0.5","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C18 H12 Cl Cu2 N4 O2 -","- C18 H12 Cl Cu2 N4 O2 -","- C72 H48 Cl4 Cu8 N16 O8 -","4","0.5","","Shi, Ling; Yang, Ping; Huang, Guang; Li, Qian; Wang, Ning; Wu, Jian-Zhong; Yu, Ying","C‒H⋯Cl relevant discrepancy on structure, magnetic and electronic conductivity of two mixed-valence CuICuII coordination polymers","Journal of Solid State Chemistry","2011","184","7","1699","1706","10.1016/j.jssc.2011.05.016","","","0.71073","MoKα","","0.033","0.0282","","","0.0644","0.0658","","","","","","1.034","","","","has coordinates","266263","2021-06-08","09:25:05",""
"1563223","10.6427","0.0014","13.0324","0.0017","15.2079","0.0015","90","","126.823","0.006","90","","1688.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cl Cu2 N4 O2 -","- C20 H12 Cl Cu2 N4 O2 -","- C80 H48 Cl4 Cu8 N16 O8 -","4","1","","Shi, Ling; Yang, Ping; Huang, Guang; Li, Qian; Wang, Ning; Wu, Jian-Zhong; Yu, Ying","C‒H⋯Cl relevant discrepancy on structure, magnetic and electronic conductivity of two mixed-valence CuICuII coordination polymers","Journal of Solid State Chemistry","2011","184","7","1699","1706","10.1016/j.jssc.2011.05.016","","","0.71073","MoKα","","0.0823","0.0613","","","0.1325","0.1452","","","","","","1.063","","","","has coordinates","266263","2021-06-08","09:25:06",""
"1563224","9.0458","0.0001","9.0458","0.0001","8.8547","0.0001","90","","90","","120","","627.478","0.012","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al1.36 Yb3.5 Zn32.1 -","- Al1.36 Yb3.498 Zn32.076 -","- Al1.36 Yb3.498 Zn32.076 -","1","0.0416667","","Stelmakhovych, O.; Stelmakhovych, B.; Uhlířová, K.; Mašková, S.; Havela, L.; Kalychak, Ya.","SmZn11-type derivative compound in the Yb‒Zn‒Al system: Crystal structure and magnetic properties","Journal of Solid State Chemistry","2011","184","7","1715","1718","10.1016/j.jssc.2011.05.013","","x-ray","0.560871","AgKα","","","0.0467","","","0.0507","","","","","1.02","1.02","","","","","has coordinates","266264","2021-06-08","09:30:56",""
"1563225","4.7577","0.0002","5.8248","0.0003","26.9737","0.0013","87.754","0.003","89.692","0.003","84.74","0.003","743.79","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Mn O9 -","- C14 H16 Mn O9 -","- C28 H32 Mn2 O18 -","2","1","","Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.","Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid","Journal of Solid State Chemistry","2011","184","7","1726","1734","10.1016/j.jssc.2011.05.004","","","0.71073","MoKα","","0.0466","0.0433","","","0.1448","0.1461","","","","","","1.245","","","","has coordinates","266265","2021-06-08","09:38:03",""
"1563226","9.0066","0.0008","10.7658","0.001","15.4196","0.0015","90.299","0.006","94.313","0.006","103.408","0.005","1449.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N3 Ni O8 -","- C29 H27 N3 Ni O8 -","- C58 H54 N6 Ni2 O16 -","2","1","","Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.","Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid","Journal of Solid State Chemistry","2011","184","7","1726","1734","10.1016/j.jssc.2011.05.004","","","0.71073","MoKα","","0.1574","0.0826","","","0.1876","0.2247","","","","","","1.028","","","","has coordinates","266265","2021-06-08","09:38:03",""
"1563227","13.3081","0.0014","6.8904","0.0007","13.4554","0.0013","90","","110.873","0.007","90","","1152.9","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Cu N2 O7 -","- C24 H22 Cu N2 O7 -","- C48 H44 Cu2 N4 O14 -","2","1","","Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.","Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid","Journal of Solid State Chemistry","2011","184","7","1726","1734","10.1016/j.jssc.2011.05.004","","","0.71073","MoKα","","0.0519","0.0427","","","0.1022","0.1073","","","","","","1.033","","","","has coordinates","266265","2021-06-08","09:38:04",""
"1563228","7.3001","0.0004","7.6324","0.0004","12.8284","0.0007","91.089","0.004","97.389","0.004","95.697","0.004","704.96","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O8 Zn -","- C14 H14 O8 Zn -","- C28 H28 O16 Zn2 -","2","1","","Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.","Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid","Journal of Solid State Chemistry","2011","184","7","1726","1734","10.1016/j.jssc.2011.05.004","","","0.71073","MoKα","","0.0521","0.0448","","","0.1181","0.1228","","","","","","1.047","","","","has coordinates","266265","2021-06-08","09:38:04",""
"1563229","6.8256","0.0006","8.6984","0.0008","14.9548","0.0013","102.797","0.004","97.981","0.004","92.445","0.004","854.97","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Cd O10 -","- C14 H14 Cd O10 -","- C28 H28 Cd2 O20 -","2","1","","Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.","Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid","Journal of Solid State Chemistry","2011","184","7","1726","1734","10.1016/j.jssc.2011.05.004","","","0.71073","MoKα","","0.092","0.0881","","","0.247","0.231","","","","","","1.09","","","","has coordinates","266265","2021-06-08","09:38:04",""
"1563230","6.3129","0.0004","6.51","0.0004","13.4751","0.0007","93.3","0.003","100.11","0.003","113.129","0.002","496.45","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H26 Cd O14 -","- C14 H26 Cd O14 -","- C14 H26 Cd O14 -","1","0.5","","Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.","Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid","Journal of Solid State Chemistry","2011","184","7","1726","1734","10.1016/j.jssc.2011.05.004","","","0.71073","MoKα","","0.0508","0.0505","","","0.1634","0.1637","","","","","","1.193","","","","has coordinates","266265","2021-06-08","09:38:04",""
"1563231","9.2301","0.0008","10.0916","0.0008","13.0872","0.0011","108.078","0.002","102.556","0.002","99.308","0.002","1096.08","0.16","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 Cd N4 O9.5 -","- C18 H26 Cd N4 O9.5 -","- C36 H52 Cd2 N8 O19 -","2","1","","Wu, Jing-Yun; Yang, Ciao-Wei; Chen, Hui-Fang; Jao, Yu-Chen; Huang, Sheng-Ming; Tsai, Chiitang; Tseng, Tien-Wen; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Rare configuration of tautomeric benzimidazolecarboxylate ligands in cadmium(II) and copper(II) coordination polymers","Journal of Solid State Chemistry","2011","184","7","1740","1748","10.1016/j.jssc.2011.05.002","","","0.71073","MoKα","","0.0828","0.0569","","","0.1057","0.1137","","","","","","1.046","","","","has coordinates,has disorder","266266","2021-06-08","09:44:51",""
"1563232","24.2997","0.0018","8.9285","0.0007","15.1958","0.0012","90","","107.665","0.002","90","","3141.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cd N4 O5 -","- C16 H12 Cd N4 O5 -","- C128 H96 Cd8 N32 O40 -","8","1","","Wu, Jing-Yun; Yang, Ciao-Wei; Chen, Hui-Fang; Jao, Yu-Chen; Huang, Sheng-Ming; Tsai, Chiitang; Tseng, Tien-Wen; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Rare configuration of tautomeric benzimidazolecarboxylate ligands in cadmium(II) and copper(II) coordination polymers","Journal of Solid State Chemistry","2011","184","7","1740","1748","10.1016/j.jssc.2011.05.002","","","0.71073","MoKα","","0.0406","0.028","","","0.0597","0.0641","","","","","","1.044","","","","has coordinates","266266","2021-06-08","09:44:56",""
"1563233","14.7996","0.0009","8.8387","0.0005","13.8202","0.0007","90","","104.601","0.003","90","","1749.43","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cu N4 O5.5 -","- C18 H17 Cu N4 O5.5 -","- C72 H68 Cu4 N16 O22 -","4","1","","Wu, Jing-Yun; Yang, Ciao-Wei; Chen, Hui-Fang; Jao, Yu-Chen; Huang, Sheng-Ming; Tsai, Chiitang; Tseng, Tien-Wen; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Rare configuration of tautomeric benzimidazolecarboxylate ligands in cadmium(II) and copper(II) coordination polymers","Journal of Solid State Chemistry","2011","184","7","1740","1748","10.1016/j.jssc.2011.05.002","","","0.71073","MoKα","","0.1088","0.0492","","","0.108","0.1276","","","","","","0.998","","","","has coordinates","266266","2021-06-08","09:44:58",""
"1563234","15.6668","0.0004","12.0204","0.0003","15.4503","0.0003","90","","112.651","0.001","90","","2685.19","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cu N4 O7 -","- C26 H32 Cu N4 O7 -","- C104 H128 Cu4 N16 O28 -","4","1","","Wu, Jing-Yun; Yang, Ciao-Wei; Chen, Hui-Fang; Jao, Yu-Chen; Huang, Sheng-Ming; Tsai, Chiitang; Tseng, Tien-Wen; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Rare configuration of tautomeric benzimidazolecarboxylate ligands in cadmium(II) and copper(II) coordination polymers","Journal of Solid State Chemistry","2011","184","7","1740","1748","10.1016/j.jssc.2011.05.002","","","0.71073","MoKα","","0.0659","0.0436","","","0.1127","0.1324","","","","","","1.074","","","","has coordinates","266266","2021-06-08","09:45:01",""
"1563235","7.1863","0.0005","8.8115","0.0004","12.2602","0.0006","108.737","0.003","99.642","0.003","97.262","0.003","711.18","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cu3 I4 N2 -","- C4 H10 Cu3 I4 N2 -","- C8 H20 Cu6 I8 N4 -","2","1","","Hou, Qin; Zhao, Jin-Jing; Zhao, Tian-Qi; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated photoluminescence iodocuprates(I)","Journal of Solid State Chemistry","2011","184","7","1756","1760","10.1016/j.jssc.2011.05.010","","","0.71073","MoKα","","0.0605","0.0473","","","0.1314","0.1448","","","","","","1.04","","","","has coordinates","266267","2021-06-08","09:49:32",""
"1563236","14.527","0.003","7.1551","0.0014","9.804","0.002","90","","122.83","0.03","90","","856.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H20 Cu2 I4 N2 -","- C8 H24 Cu2 I4 N2 -","- C16 H48 Cu4 I8 N4 -","2","0.25","","Hou, Qin; Zhao, Jin-Jing; Zhao, Tian-Qi; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated photoluminescence iodocuprates(I)","Journal of Solid State Chemistry","2011","184","7","1756","1760","10.1016/j.jssc.2011.05.010","","","0.71073","MoKα","","0.022","0.0205","","","0.0444","0.045","","","","","","1.139","","","","has coordinates","266267","2021-06-08","09:49:32",""
"1563237","22.96","0.003","15.693","0.003","11.7964","0.0019","90","","90","","90","","4250.4","1.2","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H60 Cu2 I6 N4 O2 -","- C26 H52 Cu2 I6 N4 O2 -","- C104 H208 Cu8 I24 N16 O8 -","4","0.5","","Hou, Qin; Zhao, Jin-Jing; Zhao, Tian-Qi; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated photoluminescence iodocuprates(I)","Journal of Solid State Chemistry","2011","184","7","1756","1760","10.1016/j.jssc.2011.05.010","","","0.71073","MoKα","","0.0551","0.0438","","","0.1104","0.1195","","","","","","0.996","","","","has coordinates","266267","2021-06-08","09:49:32",""
"1563238","12.0221","0.0016","11.2498","0.0015","12.847","0.0017","90","","110.514","0.006","90","","1627.3","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 In2 N2 Se5 -","- C6 H16 In2 N2 Se5 -","- C24 H64 In8 N8 Se20 -","4","0.5","","Ewing, Sarah J.; Powell, Anthony V.; Vaqueiro, Paz","Hydrothermal synthesis of [C6H16N2][In2Se3(Se2)]: A new one-dimensional indium selenide","Journal of Solid State Chemistry","2011","184","7","1800","1804","10.1016/j.jssc.2011.05.021","","","0.71073","MoKα","","0.0167","0.014","","0.0186","0.0162","0.0162","","","","","","1.0528","","","","has coordinates","266289","2021-06-09","07:28:42",""
"1563239","26.8","0.005","10.2651","0.0019","9.6873","0.0017","90","","99.821","0.002","90","","2626","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Eu N3 O11 -","- C22 H28 Eu N3 O11 -","- C88 H112 Eu4 N12 O44 -","4","0.5","","Yin, Xia; Fan, Jun; Wang, Zhi Hong; Zheng, Sheng Run; Tan, Jing Bo; Zhang, Wei Guang","Luminescent lanthanide complexes with 4-acetamidobenzoate: Synthesis, supramolecular assembly via hydrogen bonds, crystal structures and photoluminescence","Journal of Solid State Chemistry","2011","184","7","1850","1857","10.1016/j.jssc.2011.05.018","","","0.71073","MoKα","","0.0642","0.0456","","","0.0784","0.0848","","","","","","1.036","","","","has coordinates","266290","2021-06-09","07:36:21",""
"1563240","9.4751","0.0004","13.5774","0.0005","14.8274","0.0006","94.65","0.002","90.727","0.003","109.247","0.002","1793.38","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Eu N4 O13 -","- C32 H36 Eu N4 O13 -","- C64 H72 Eu2 N8 O26 -","2","1","","Yin, Xia; Fan, Jun; Wang, Zhi Hong; Zheng, Sheng Run; Tan, Jing Bo; Zhang, Wei Guang","Luminescent lanthanide complexes with 4-acetamidobenzoate: Synthesis, supramolecular assembly via hydrogen bonds, crystal structures and photoluminescence","Journal of Solid State Chemistry","2011","184","7","1850","1857","10.1016/j.jssc.2011.05.018","","","0.71073","MoKα","","0.0315","0.027","","","0.0615","0.0632","","","","","","1.122","","","","has coordinates","266290","2021-06-09","07:36:32",""
"1563241","10.176","0.002","11.09","0.002","14.294","0.003","73.938","0.002","75.952","0.003","77.711","0.003","1485.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 Eu2 N10 O22 -","- C56 H56 Eu2 N10 O22 -","- C56 H56 Eu2 N10 O22 -","1","0.5","","Yin, Xia; Fan, Jun; Wang, Zhi Hong; Zheng, Sheng Run; Tan, Jing Bo; Zhang, Wei Guang","Luminescent lanthanide complexes with 4-acetamidobenzoate: Synthesis, supramolecular assembly via hydrogen bonds, crystal structures and photoluminescence","Journal of Solid State Chemistry","2011","184","7","1850","1857","10.1016/j.jssc.2011.05.018","","","0.71073","MoKα","","0.054","0.0448","","","0.1113","0.1176","","","","","","0.989","","","","has coordinates","266290","2021-06-09","07:36:32",""
"1563242","10.7612","0.0002","11.1307","0.0003","14.3438","0.0003","76.795","0.001","74.513","0.001","82.09","0.002","1606.55","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H60 N10 O20 Tb2 -","- C64 H60 N10 O20 Tb2 -","- C64 H60 N10 O20 Tb2 -","1","0.5","","Yin, Xia; Fan, Jun; Wang, Zhi Hong; Zheng, Sheng Run; Tan, Jing Bo; Zhang, Wei Guang","Luminescent lanthanide complexes with 4-acetamidobenzoate: Synthesis, supramolecular assembly via hydrogen bonds, crystal structures and photoluminescence","Journal of Solid State Chemistry","2011","184","7","1850","1857","10.1016/j.jssc.2011.05.018","","","0.71073","MoKα","","0.0468","0.0386","","","0.0884","0.0931","","","","","","1.004","","","","has coordinates","266290","2021-06-09","07:36:32",""
"1563243","4.1386","0.0013","12.593","0.004","11.64","0.004","90","","90","","90","","606.6","0.3","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","cobalt-zinc stannide","","","- Co7.2 Sn8 Zn2.8 -","- Co7.24 Sn8.0192 Zn2.9 -","- Co14.48 Sn16.0384 Zn5.8 -","2","0.125","","Reynolds, Patricia C.; Stojanovic, Milorad; Latturner, Susan E.","Flux growth of a new cobalt‒zinc‒tin ternary phase Co7+xZn3−xSn8 and its relationship to CoSn","Journal of Solid State Chemistry","2011","184","7","1875","1881","10.1016/j.jssc.2011.05.019","","","0.71073","MoKα","","0.0314","0.0301","","","0.0728","0.0739","","","","","","1.104","","","","has coordinates","266291","2021-06-09","07:40:55",""
"1563244","12.5908","0.0002","11.6298","0.0003","8.2704","0.0002","90","","90","","90","","1211.02","0.05","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cobalt-zinc stannide","","","- Co7 Sn8 Zn3 -","- Co6.808 Sn8 Zn3 -","- Co27.232 Sn32 Zn12 -","4","0.5","","Reynolds, Patricia C.; Stojanovic, Milorad; Latturner, Susan E.","Flux growth of a new cobalt‒zinc‒tin ternary phase Co7+xZn3−xSn8 and its relationship to CoSn","Journal of Solid State Chemistry","2011","184","7","1875","1881","10.1016/j.jssc.2011.05.019","","","0.71073","MoKα","","0.058","0.0347","","","0.0869","0.0968","","","","","","1.056","","","","has coordinates","266291","2021-06-09","07:41:02",""
"1563245","8.6448","0.0013","27.844","0.004","9.3387","0.0014","90","","109.086","0.002","90","","2124.3","0.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H29 Ce N7 Sb Se4 -","- C8 H29 Ce N7 Sb Se4 -","- C32 H116 Ce4 N28 Sb4 Se16 -","4","1","","Zhao, Jing; Liang, Jingjing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand","Journal of Solid State Chemistry","2011","184","6","1451","1458","10.1016/j.jssc.2011.03.039","","","0.71073","MoKα","","0.0467","0.0383","","","0.0706","0.0743","","","","","","1.061","","","","has coordinates","266292","2021-06-09","07:55:26",""
"1563246","8.6186","0.0014","27.777","0.004","9.3125","0.0015","90","","109.211","0.003","90","","2105.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H29 N7 Nd Sb Se4 -","- C8 H29 N7 Nd Sb Se4 -","- C32 H116 N28 Nd4 Sb4 Se16 -","4","1","","Zhao, Jing; Liang, Jingjing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand","Journal of Solid State Chemistry","2011","184","6","1451","1458","10.1016/j.jssc.2011.03.039","","","0.71073","MoKα","","0.0536","0.0421","","","0.0809","0.0848","","","","","","1.157","","","","has coordinates","266292","2021-06-09","07:55:35",""
"1563247","10.037","0.003","12.117","0.003","17.125","0.004","88.888","0.009","88.651","0.009","86.658","0.009","2078.3","0.9","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H58 N14 Sb2 Se8 Sm2 -","- C16 H52 N14 Sb2 Se8 Sm2 -","- C32 H104 N28 Sb4 Se16 Sm4 -","2","1","","Zhao, Jing; Liang, Jingjing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand","Journal of Solid State Chemistry","2011","184","6","1451","1458","10.1016/j.jssc.2011.03.039","","","0.71073","MoKα","","0.0641","0.0481","","","0.1293","0.1382","","","","","","1.121","","","","has coordinates","266292","2021-06-09","07:55:38",""
"1563248","10.121","0.002","12.092","0.003","17.189","0.004","89.102","0.01","88.438","0.009","86.889","0.01","2099.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H58 Gd2 N14 Sb2 Se8 -","- C16 H50 Gd2 N14 Sb2 Se8 -","- C32 H100 Gd4 N28 Sb4 Se16 -","2","1","","Zhao, Jing; Liang, Jingjing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand","Journal of Solid State Chemistry","2011","184","6","1451","1458","10.1016/j.jssc.2011.03.039","","","0.71073","MoKα","","0.0813","0.0595","","","0.1818","0.1945","","","","","","1.128","","","","has coordinates","266292","2021-06-09","07:55:49",""
"1563249","10.107","0.002","12.069","0.003","17.18","0.004","89.202","0.011","88.287","0.009","87.139","0.011","2091.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H58 Dy2 N14 Sb2 Se8 -","- C16 H52 Dy2 N14 Sb2 Se8 -","- C32 H104 Dy4 N28 Sb4 Se16 -","2","1","","Zhao, Jing; Liang, Jingjing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand","Journal of Solid State Chemistry","2011","184","6","1451","1458","10.1016/j.jssc.2011.03.039","","","0.71073","MoKα","","0.0941","0.0788","","","0.1784","0.1975","","","","","","1.096","","","","has coordinates","266292","2021-06-09","07:55:49",""
"1563250","8.9653","0.0007","11.3985","0.0008","19.7211","0.0013","90","","90","","90","","2015.3","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 Ce N6 Sb Se4 -","- C8 H26 Ce N6 Sb Se4 -","- C32 H104 Ce4 N24 Sb4 Se16 -","4","1","","Zhao, Jing; Liang, Jingjing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand","Journal of Solid State Chemistry","2011","184","6","1451","1458","10.1016/j.jssc.2011.03.039","","","0.71073","MoKα","","0.0278","0.025","","","0.0442","0.0452","","","","","","1.063","","","","has coordinates","266292","2021-06-09","07:55:52",""
"1563251","14.307","0.002","9.0127","0.0012","15.427","0.002","90","","100.775","0.002","90","","1954.2","0.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H26 N6 Nd Sb Se4 -","- C8 H26 N6 Nd Sb Se4 -","- C32 H104 N24 Nd4 Sb4 Se16 -","4","1","","Zhao, Jing; Liang, Jingjing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand","Journal of Solid State Chemistry","2011","184","6","1451","1458","10.1016/j.jssc.2011.03.039","","","0.71073","MoKα","","0.0374","0.026","","","0.051","0.0537","","","","","","1.003","","","","has coordinates","266292","2021-06-09","07:55:54",""
"1563252","10.1777","0.0012","13.4837","0.0015","14.7983","0.0019","90","","98.744","0.003","90","","2007.2","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 N6 Sb Se4 Sm -","- C8 H26 N6 Sb Se4 Sm -","- C32 H104 N24 Sb4 Se16 Sm4 -","4","1","","Zhao, Jing; Liang, Jingjing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand","Journal of Solid State Chemistry","2011","184","6","1451","1458","10.1016/j.jssc.2011.03.039","","","0.71073","MoKα","","0.0292","0.0253","","","0.0445","0.0457","","","","","","1.095","","","","has coordinates","266292","2021-06-09","07:55:54",""
"1563253","10.3055","0.0008","15.8867","0.0011","19.714","0.0014","90","","90","","90","","3227.6","0.4","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C24 H41 Mo12 N4 O62 P Zn -","- C24 H20 Mo12 N4 O62 P Zn -","- C48 H40 Mo24 N8 O124 P2 Zn2 -","2","0.25","","Wei, Mei-Lin; Zhuang, Peng-Fei; Miao, Qiu-Xiang; Wang, Yan","Two highly proton-conductive molecular hybrids based on ionized water clusters and poly-Keggin-anion chains","Journal of Solid State Chemistry","2011","184","6","1472","1477","10.1016/j.jssc.2011.04.025","","","0.71073","MoKα","","0.0454","0.0404","","","0.1117","0.1155","","","","","","1.072","","","","has coordinates","266293","2021-06-09","08:08:42",""
"1563254","10.2653","0.0014","16.037","0.002","19.944","0.003","90","","90","","90","","3283.3","0.8","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C24 H42 Mn Mo12 N4 O62.5 P -","- C24 H20 Mn Mo12 N4 O62.5 P -","- C48 H40 Mn2 Mo24 N8 O125 P2 -","2","0.25","","Wei, Mei-Lin; Zhuang, Peng-Fei; Miao, Qiu-Xiang; Wang, Yan","Two highly proton-conductive molecular hybrids based on ionized water clusters and poly-Keggin-anion chains","Journal of Solid State Chemistry","2011","184","6","1472","1477","10.1016/j.jssc.2011.04.025","","","0.71073","MoKα","","0.0613","0.0516","","","0.1373","0.1442","","","","","","0.972","","","","has coordinates","266293","2021-06-09","08:08:43",""
"1563255","12.5309","0.0003","12.5309","0.0003","12.5309","0.0003","90","","90","","90","","1967.65","0.08","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","calcium titanium tin aluminum oxide","tricalcium 0.8titanium 2.2tin dialuminate","","- Al2 Ca3 O12 Sn2.2 Ti0.8 -","- Al2.01 Ca3 O12 Sn2.201 Ti0.798 -","- Al16.08 Ca24 O96 Sn17.608 Ti6.384 -","8","0.0833333","","Yamane, Hisanori; Kawano, Tetsuya","Preparation, crystal structure and photoluminescence of garnet-type calcium tin titanium aluminates","Journal of Solid State Chemistry","2011","184","5","965","970","10.1016/j.jssc.2011.02.016","","","0.71075","MoKα","","0.0277","0.0262","","","0.0657","0.0663","","","","","","1.373","","","","has coordinates,has Fobs","266295","2021-06-09","08:22:41",""
"1563256","2.95982","0.00008","2.95982","0.00008","11.1903","0.0007","90","","90","","120","","84.899","0.006","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cr0.43 Na0.35 O Sb0.08 -","- Cr0.425 Na0.35 O Sb0.075 -","- Cr1.7 Na1.4 O4 Sb0.3 -","4","0.166667","","Pospelov, A.A.; Nalbandyan, V.B.","Preparation, crystal structures and rapid hydration of P2- and P3-type sodium chromium antimony oxides","Journal of Solid State Chemistry","2011","184","5","1043","1047","10.1016/j.jssc.2011.03.011","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.07382","","1.62","","","","","","","has coordinates","266296","2021-06-09","08:30:27",""
"1563257","2.9662","0.00007","2.9662","","16.937","0.001","90","","90","","120","","129.053","0.008","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cr0.4 Na0.29 O Sb0.1 -","- Cr0.395 Na0.29 O Sb0.105 -","- Cr2.37 Na1.74 O6 Sb0.63 -","6","0.166667","","Pospelov, A.A.; Nalbandyan, V.B.","Preparation, crystal structures and rapid hydration of P2- and P3-type sodium chromium antimony oxides","Journal of Solid State Chemistry","2011","184","5","1043","1047","10.1016/j.jssc.2011.03.011","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.08597","","1.13","","","","","","","has coordinates","266296","2021-06-09","08:30:28",""
"1563258","12.6326","0.0015","12.6326","0.0015","12.6326","0.0015","90","","90","","90","","2015.9","0.4","293","2","293","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Fe5 Nd3 O12 -","- Fe5 Nd3 O12 -","- Fe40 Nd24 O96 -","8","0.0833333","","Guo, Li; Huang, Keke; Chen, Yan; Li, Guanghua; Yuan, Lin; Peng, Wen; Yuan, Hongming; Feng, Shouhua","Mild hydrothermal synthesis and ferrimagnetism of Pr3Fe5O12 and Nd3Fe5O12 garnets","Journal of Solid State Chemistry","2011","184","5","1048","1053","10.1016/j.jssc.2011.03.010","","","0.71073","MoKα","","0.0247","0.0245","","","0.0595","0.0595","","","","","","1.329","","","","has coordinates","266297","2021-06-09","08:34:32",""
"1563259","12.6695","0.0015","12.6695","0.0015","12.6695","0.0015","90","","90","","90","","2033.7","0.4","293","2","293","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Fe5 O12 Pr3 -","- Fe5 O12 Pr3 -","- Fe40 O96 Pr24 -","8","0.0833333","","Guo, Li; Huang, Keke; Chen, Yan; Li, Guanghua; Yuan, Lin; Peng, Wen; Yuan, Hongming; Feng, Shouhua","Mild hydrothermal synthesis and ferrimagnetism of Pr3Fe5O12 and Nd3Fe5O12 garnets","Journal of Solid State Chemistry","2011","184","5","1048","1053","10.1016/j.jssc.2011.03.010","","","0.71073","MoKα","","0.0233","0.022","","","0.0568","0.0577","","","","","","1.292","","","","has coordinates","266297","2021-06-09","08:34:33",""
"1563260","6.6443","0.0013","15.648","0.003","12.499","0.003","90","","103.38","0.03","90","","1264.2","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N4 O9 Pb -","- C10 H8 N4 O9 Pb -","- C40 H32 N16 O36 Pb4 -","4","1","","Chen, Zilu; Yan, Jiehua; Xing, Huihui; Zhang, Zhong; Liang, Fupei","Two lead(II) 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate complexes exhibiting different topologies and fluorescent properties","Journal of Solid State Chemistry","2011","184","5","1063","1069","10.1016/j.jssc.2011.03.031","","","0.71073","MoKα","","0.0311","0.0232","","","0.0434","0.0454","","","","","","1.053","","","","has coordinates","266298","2021-06-09","08:54:23",""
"1563261","6.9995","0.0013","16.468","0.003","6.5392","0.0013","90","","111.809","0.002","90","","699.8","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 N2 O5 Pb -","- C5 H4 N2 O5 Pb -","- C20 H16 N8 O20 Pb4 -","4","1","","Chen, Zilu; Yan, Jiehua; Xing, Huihui; Zhang, Zhong; Liang, Fupei","Two lead(II) 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate complexes exhibiting different topologies and fluorescent properties","Journal of Solid State Chemistry","2011","184","5","1063","1069","10.1016/j.jssc.2011.03.031","","","0.71073","MoKα","","0.0336","0.0267","","","0.0615","0.0645","","","","","","1.039","","","","has coordinates","266298","2021-06-09","08:54:27",""
"1563262","4.1274","0.0006","4.1274","0.0006","6.0068","0.0012","90","","90","","90","","102.33","0.03","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Fe Sb Zn -","- Fe0.88 Sb Zn -","- Fe1.76 Sb2 Zn2 -","2","0.125","","Xiong, Ding-Bang; Zhao, Yufeng","Half-Heusler phase related structural perturbations near stoichiometric composition FeZnSb","Journal of Solid State Chemistry","2011","184","5","1159","1164","10.1016/j.jssc.2011.03.029","","","0.71073","MoKα","","0.0315","0.0315","","","0.0864","0.0864","","","","","","1.308","","","","has coordinates","266299","2021-06-09","09:03:50",""
"1563263","4.1113","0.0006","4.1113","0.0006","6.0127","0.0012","90","","90","","90","","101.63","0.03","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Fe Sb Zn -","- Fe0.918 Sb Zn -","- Fe1.836 Sb2 Zn2 -","2","0.125","","Xiong, Ding-Bang; Zhao, Yufeng","Half-Heusler phase related structural perturbations near stoichiometric composition FeZnSb","Journal of Solid State Chemistry","2011","184","5","1159","1164","10.1016/j.jssc.2011.03.029","","","0.71073","MoKα","","0.0337","0.0336","","","0.0942","0.0942","","","","","","1.296","","","","has coordinates","266299","2021-06-09","09:03:53",""
"1563264","11.69","0.0013","11.69","0.0013","11.69","0.0013","90","","90","","90","","1597.5","0.3","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Fe7.77 Sb8 Zn6.73 -","- Fe7.88 Sb8 Zn6.72 -","- Fe31.52 Sb32 Zn26.88 -","4","0.0208333","","Xiong, Ding-Bang; Zhao, Yufeng","Half-Heusler phase related structural perturbations near stoichiometric composition FeZnSb","Journal of Solid State Chemistry","2011","184","5","1159","1164","10.1016/j.jssc.2011.03.029","","","0.71073","MoKα","","0.085","0.0811","","","0.1499","0.1513","","","","","","1.32","","","","has coordinates","266299","2021-06-09","09:04:03",""
"1563265","10.604","0.0004","10.604","0.0004","10.604","0.0004","90","","90","","90","","1192.36","0.08","12","0.5","12","0.5","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Al14.22 Ba7.36 Si31.78 Sr0.6 -","- Al14.236 Ba7.3616 Si31.764 Sr0.6 -","- Al14.236 Ba7.3616 Si31.764 Sr0.6 -","1","0.0208333","","Roudebush, John H.; Toberer, Eric S.; Hope, Håkon; Jeffrey Snyder, G.; Kauzlarich, Susan M.","Crystal structure, characterization and thermoelectric properties of the type-I clathrate Ba8−ySryAl14Si32 (0.6≤y≤1.3) prepared by aluminum flux","Journal of Solid State Chemistry","2011","184","5","1176","1185","10.1016/j.jssc.2011.02.027","","","0.71073","MoKα","","0.0288","0.0223","","","0.0404","0.0428","","","","","","1.035","","","","has coordinates","266300","2021-06-09","09:09:24",""
"1563266","10.6059","0.0004","10.6059","0.0004","10.6059","0.0004","90","","90","","90","","1193.01","0.08","90","","90","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Al14.2 Ba7.37 Si31.8 Sr0.59 -","- Al14.22 Ba7.3718 Si31.78 Sr0.594 -","- Al14.22 Ba7.3718 Si31.78 Sr0.594 -","1","0.0208333","","Roudebush, John H.; Toberer, Eric S.; Hope, Håkon; Jeffrey Snyder, G.; Kauzlarich, Susan M.","Crystal structure, characterization and thermoelectric properties of the type-I clathrate Ba8−ySryAl14Si32 (0.6≤y≤1.3) prepared by aluminum flux","Journal of Solid State Chemistry","2011","184","5","1176","1185","10.1016/j.jssc.2011.02.027","","","0.71073","MoKα","","0.0299","0.0233","","","0.0414","0.0441","","","","","","1.034","","","","has coordinates","266300","2021-06-09","09:09:24",""
"1563276","9.056","0.0006","14.1567","0.001","10.2238","0.0007","90","","107.808","0.001","90","","1247.92","0.15","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cu I3 N3 O8 -","- C19 H20 Cu I3 N3 O8 -","- C38 H40 Cu2 I6 N6 O16 -","2","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Yuan, Li-Min; Deng, Ye; Diao, Guo-Wang; Ng, Seik Weng","Synthesis, crystal structures and characterization of four coordination polymers based on 5-amino-2,4,6-triiodoisophthalic acid","Journal of Solid State Chemistry","2011","184","5","1263","1272","10.1016/j.jssc.2011.03.050","","","0.71073","MoKα","","0.0734","0.0586","","","0.1372","0.1452","","","","","","0.936","","","","has coordinates","266349","2021-06-10","07:28:33",""
"1563277","17.457","0.0017","9.6129","0.001","14.4613","0.0014","90","","90","","90","","2426.8","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 Cd I3 N3 O8 -","- C18 H18 Cd I3 N3 O8 -","- C72 H72 Cd4 I12 N12 O32 -","4","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Yuan, Li-Min; Deng, Ye; Diao, Guo-Wang; Ng, Seik Weng","Synthesis, crystal structures and characterization of four coordination polymers based on 5-amino-2,4,6-triiodoisophthalic acid","Journal of Solid State Chemistry","2011","184","5","1263","1272","10.1016/j.jssc.2011.03.050","","","0.71073","MoKα","","0.0698","0.044","","","0.0797","0.0899","","","","","","1.049","","","","has coordinates","266349","2021-06-10","07:28:45",""
"1563278","8.9247","0.0006","14.8943","0.001","20.3308","0.0014","90","","98.809","0.001","90","","2670.6","0.3","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cd I3 N3 O9 -","- C20 H20 Cd I3 N3 O9 -","- C80 H80 Cd4 I12 N12 O36 -","4","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Yuan, Li-Min; Deng, Ye; Diao, Guo-Wang; Ng, Seik Weng","Synthesis, crystal structures and characterization of four coordination polymers based on 5-amino-2,4,6-triiodoisophthalic acid","Journal of Solid State Chemistry","2011","184","5","1263","1272","10.1016/j.jssc.2011.03.050","","","0.71073","MoKα","","0.0438","0.029","","","0.0621","0.0677","","","","","","1.031","","","","has coordinates","266349","2021-06-10","07:28:56",""
"1563279","9.7187","0.0007","18.5089","0.0014","20.2204","0.0016","90","","101.865","0.001","90","","3559.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 I3 Mn N5 O9 -","- C32 H28 I3 Mn N5 O9 -","- C128 H112 I12 Mn4 N20 O36 -","4","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Yuan, Li-Min; Deng, Ye; Diao, Guo-Wang; Ng, Seik Weng","Synthesis, crystal structures and characterization of four coordination polymers based on 5-amino-2,4,6-triiodoisophthalic acid","Journal of Solid State Chemistry","2011","184","5","1263","1272","10.1016/j.jssc.2011.03.050","","","0.71073","MoKα","","0.0661","0.0345","","","0.064","0.0743","","","","","","1.014","","","","has coordinates","266349","2021-06-10","07:28:59",""
"1563280","4.8417","0.0002","10.8136","0.0006","8.463","0.0005","90","","91.413","0.004","90","","442.96","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 K O8 -","- C6 H9 K O8 -","- C12 H18 K2 O16 -","2","1","","Lv, Yao-Kang; Feng, Yun-Long; Liu, Ji-Wei; Jiang, Zhan-Guo","Two new frameworks of potassium saccharate obtained from acidic and alkaline solution","Journal of Solid State Chemistry","2011","184","5","1339","1345","10.1016/j.jssc.2011.03.042","","","0.71073","MoKα","","0.0248","0.0238","","","0.0642","0.0657","","","","","","1","","","","has coordinates","266350","2021-06-10","07:38:14",""
"1563281","7.0652","0.0001","8.2606","0.0001","16.266","0.0003","90","","90","","90","","949.33","0.02","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 K2 O8 -","- C6 H8 K2 O8 -","- C24 H32 K8 O32 -","4","1","","Lv, Yao-Kang; Feng, Yun-Long; Liu, Ji-Wei; Jiang, Zhan-Guo","Two new frameworks of potassium saccharate obtained from acidic and alkaline solution","Journal of Solid State Chemistry","2011","184","5","1339","1345","10.1016/j.jssc.2011.03.042","","","0.71073","MoKα","","0.019","0.0183","","","0.0474","0.0481","","","","","","1","","","","has coordinates","266350","2021-06-10","07:38:17",""
"1563282","13.266","0.007","13.266","0.007","18.534","0.014","90","","90","","120","","2825","3","298","","298","","","","","","","","","7","R -3 m :H","-R 3 2""","166","","(5.4)potassium disodium hexa-mu3-oxo-hexa-mu-oxo-dodecaoxo(hexamolybdenum-7- antimony)ate(7-) (0.8)nitrate(1-) dodecahydrate","","- H24 K5.4 N0.4 Na2 O37.2 Sb W6 -","- K5.4 N0.4 Na2 O37.2 Sb W6 -","- K16.2 N1.2 Na6 O111.6 Sb3 W18 -","3","0.0833333","","Naruke, Haruo; Kajitani, Naoyuki; Konya, Takayuki","Insertion-release of guest species and ionic conduction in polyoxometalate solids with a layer-like Anderson structure","Journal of Solid State Chemistry","2011","184","4","770","777","10.1016/j.jssc.2011.01.033","","","0.71075","MoKα","","","0.0191","","","","0.0502","","","","","","0.901","","","","has coordinates","266351","2021-06-10","07:46:40",""
"1563283","13.288","0.008","13.288","0.008","18.548","0.013","90","","90","","120","","2836","3","298","","298","","","","","","","","","7","R -3 m :H","-R 3 2""","166","","(5.25)potassium disodium hexa-mu3-oxo-hexa-mu-oxo-dodecaoxo(hexamolybdenum-7- antimony)ate(7-) (0.25)chloride(1-) dodecahydrate","","- Cl0.25 H24 K5.25 Na2 O36 Sb W6 -","- Cl0.24 K5.28 Na2 O36 Sb W6 -","- Cl0.72 K15.84 Na6 O108 Sb3 W18 -","3","0.0833333","","Naruke, Haruo; Kajitani, Naoyuki; Konya, Takayuki","Insertion-release of guest species and ionic conduction in polyoxometalate solids with a layer-like Anderson structure","Journal of Solid State Chemistry","2011","184","4","770","777","10.1016/j.jssc.2011.01.033","","","0.71075","MoKα","","","0.0461","","","","0.1334","","","","","","1.035","","","","has coordinates","266351","2021-06-10","07:46:40",""
"1563284","6.5324","0.0001","13.0234","0.0002","8.5838","0.0001","90","","104.971","0.001","90","","705.471","0.018","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 Na O9 Pb -","- B5 Na O9 Pb -","- B20 Na4 O36 Pb4 -","4","1","","Zhang, Min; Pan, Shilie; Han, Jian; Zhou, Zhongxiang","Synthesis, crystal structure and optical properties of a novel sodium lead pentaborate, NaPbB5O9","Journal of Solid State Chemistry","2011","184","4","825","829","10.1016/j.jssc.2011.01.039","","","0.71073","MoKα","","0.0206","0.0178","","","0.0444","0.0455","","","","","","1.058","","","","has coordinates","266352","2021-06-10","08:04:49",""
"1563285","5.2596","0.0002","5.2596","0.0002","8.4158","0.0004","90","","90","","90","","232.81","0.017","300","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- O6 W Y2 -","- O6 W Y2 -","- O12 W2 Y4 -","2","0.125","","Huang, Jinping; Xu, Jun; Li, Hexing; Luo, Hongshan; Yu, Xibin; Li, Yikang","Determining the structure of tetragonal Y2WO6 and the site occupation of Eu3+ dopant","Journal of Solid State Chemistry","2011","184","4","843","847","10.1016/j.jssc.2011.02.015","powder diffraction","","1.54056","CuKα~1~","","","","","","","","0.0586","0.0812","","","","","","","","has coordinates","266353","2021-06-10","08:24:19",""
"1563286","4.9461","0.0004","4.9461","0.0004","23.403","0.003","90","","90","","90","","572.53","0.1","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- K2 Mg4.72 Sn3 -","- K2 Mg4.72 Sn3 -","- K4 Mg9.44 Sn6 -","2","0.0625","","Lei, Xiao-Wu","K2Mg5−xSn3 and K3Mg18Tt11 (Tt=Sn, pb) with two types of Mg‒Sn/Pb frameworks","Journal of Solid State Chemistry","2011","184","4","852","858","10.1016/j.jssc.2011.02.003","","","0.71073","MoKα","","0.0245","0.0241","","","0.0617","0.062","","","","","","1.107","","","","has coordinates","266354","2021-06-10","08:30:43",""
"1563287","11.8429","0.0006","11.8429","0.0006","13.8128","0.0014","90","","90","","120","","1677.8","0.2","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- K3 Mg18 Sn11 -","- K3 Mg18 Sn11 -","- K6 Mg36 Sn22 -","2","0.166667","","Lei, Xiao-Wu","K2Mg5−xSn3 and K3Mg18Tt11 (Tt=Sn, pb) with two types of Mg‒Sn/Pb frameworks","Journal of Solid State Chemistry","2011","184","4","852","858","10.1016/j.jssc.2011.02.003","","","0.71073","MoKα","","0.0445","0.0412","","","0.0765","0.0782","","","","","","1.125","","","","has coordinates,has disorder","266354","2021-06-10","08:30:44",""
"1563288","11.9615","0.0006","11.9615","0.0006","13.909","0.0013","90","","90","","120","","1723.4","0.2","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- K3 Mg18 Pb11 -","- K3 Mg18 Pb11.002 -","- K6 Mg36 Pb22.004 -","2","0.166667","","Lei, Xiao-Wu","K2Mg5−xSn3 and K3Mg18Tt11 (Tt=Sn, pb) with two types of Mg‒Sn/Pb frameworks","Journal of Solid State Chemistry","2011","184","4","852","858","10.1016/j.jssc.2011.02.003","","","0.71073","MoKα","","0.0474","0.0342","","","0.0803","0.0868","","","","","","1.177","","","","has coordinates,has disorder","266354","2021-06-10","08:30:44",""
"1563289","7.958","0.003","9.931","0.001","9.039","0.001","90","","115.59","0.03","90","","644.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu Fe K O8 P2 -","- Cu Fe K O8 P2 -","- Cu4 Fe4 K4 O32 P8 -","4","1","","Badri, Abdessalem; Hidouri, Mourad; López, María Luisa; Pico, Carlos; Wattiaux, Alain; Amara, Mongi Ben","Structural study and physical properties of a new phosphate KCuFe(PO4)2","Journal of Solid State Chemistry","2011","184","4","937","944","10.1016/j.jssc.2011.02.021","","","0.71073","MoKα","","0.0298","0.0278","","","0.0869","0.0886","","","","","","0.98","","","","has coordinates","266355","2021-06-10","08:46:06",""
"1563290","10.7462","0.0006","13.2324","0.0007","13.6528","0.0008","69.498","0.001","71.797","0.001","79.079","0.001","1720.43","0.17","210","2","210","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 K Mo12 N8 Ni2 O44 P -","- C48 H32 K Mo12 N8 Ni2 O44 P -","- C48 H32 K Mo12 N8 Ni2 O44 P -","1","0.5","","Wang, Yan; Zou, Bo; Xiao, Li-Na; Jin, Ning; Peng, Yu; Wu, Feng-Qing; Ding, Hong; Wang, Tie-Gang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Two new hybrid compounds assembled from Keggin-type polyoxometalates and transition metal coordination complexes","Journal of Solid State Chemistry","2011","184","3","557","562","10.1016/j.jssc.2011.01.009","","","0.71073","MoKα","","0.0849","0.0674","","","0.1773","0.1899","","","","","","1.034","","","","has coordinates","266356","2021-06-10","08:58:10",""
"1563291","24.407","0.005","12.198","0.002","24.226","0.005","90","","98.27","0.03","90","","7137","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H35 Cd2 Cl2 N8 O41 P W12 -","- C48 H32 Cd2 Cl2 N8 O41 P W12 -","- C192 H128 Cd8 Cl8 N32 O164 P4 W48 -","4","0.5","","Wang, Yan; Zou, Bo; Xiao, Li-Na; Jin, Ning; Peng, Yu; Wu, Feng-Qing; Ding, Hong; Wang, Tie-Gang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Two new hybrid compounds assembled from Keggin-type polyoxometalates and transition metal coordination complexes","Journal of Solid State Chemistry","2011","184","3","557","562","10.1016/j.jssc.2011.01.009","","","0.71073","MoKα","","0.1117","0.0677","","","0.1497","0.1699","","","","","","1.053","","","","has coordinates","266356","2021-06-10","08:58:11",""
"1563292","9.8114","0.0003","11.2357","0.0003","12.6827","0.0003","97.186","0.002","92.992","0.002","100.776","0.002","1358.57","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H14 Cl4 N6 O4 Pb -","- C28 H14 Cl4 N6 O4 Pb -","- C56 H28 Cl8 N12 O8 Pb2 -","2","1","","Jin, Juan; Wu, Di; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Wang, Yu-Chang; Xu, Ji-Qing","New 4,5-dichlorophthalhydrazidate-bridged chained coordination polymers","Journal of Solid State Chemistry","2011","184","3","667","674","10.1016/j.jssc.2011.01.034","","","0.71073","MoKα","","0.0349","0.0287","","","0.0795","0.0826","","","","","","1.105","","","","has coordinates","266357","2021-06-10","09:12:32",""
"1563293","7.9126","0.0003","25.7233","0.0012","13.2669","0.0006","90","","93.416","0.003","90","","2695.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Cd3 Cl8 N8 O12 -","- C52 H24 Cd3 Cl8 N8 O12 -","- C104 H48 Cd6 Cl16 N16 O24 -","2","0.5","","Jin, Juan; Wu, Di; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Wang, Yu-Chang; Xu, Ji-Qing","New 4,5-dichlorophthalhydrazidate-bridged chained coordination polymers","Journal of Solid State Chemistry","2011","184","3","667","674","10.1016/j.jssc.2011.01.034","","","0.71073","MoKα","","0.104","0.0632","","","0.1495","0.1612","","","","","","1.107","","","","has coordinates","266357","2021-06-10","09:12:32",""
"1563294","7.1815","0.0014","9.0468","0.0018","13.524","0.003","90","","99.67","0.03","90","","866.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cl2 N2 O2 -","- C8 H4 Cl2 N2 O2 -","- C32 H16 Cl8 N8 O8 -","4","1","","Jin, Juan; Wu, Di; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Wang, Yu-Chang; Xu, Ji-Qing","New 4,5-dichlorophthalhydrazidate-bridged chained coordination polymers","Journal of Solid State Chemistry","2011","184","3","667","674","10.1016/j.jssc.2011.01.034","","","0.71073","MoKα","","0.08","0.0641","","","0.1731","0.1834","","","","","","1.039","","","","has coordinates","266357","2021-06-10","09:12:32",""
"1563295","8.3196","0.0014","11.3917","0.0017","11.4516","0.0017","67.848","0.008","87.092","0.009","68.592","0.008","931.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O6 Zn -","- C20 H20 N2 O6 Zn -","- C40 H40 N4 O12 Zn2 -","2","1","","Gu, Jin-Zhong; Lv, Dong-Yu; Gao, Zhu-Qing; Liu, Jian-Zhao; Dou, Wei; Tang, Yu","Synthesis, structures, luminescent and magnetic properties of four coordination polymers with the flexible 1,3-phenylenediacetate ligands","Journal of Solid State Chemistry","2011","184","3","675","683","10.1016/j.jssc.2011.01.030","","","0.71073","MoKα","","0.0774","0.0589","","","0.1538","0.1702","","","","","","1.032","","","","has coordinates","266358","2021-06-10","09:18:17",""
"1563296","5.9591","0.0011","9.846","0.002","11.761","0.002","101.276","0.008","104.021","0.008","95.852","0.008","648.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cd N O5 -","- C12 H15 Cd N O5 -","- C24 H30 Cd2 N2 O10 -","2","1","","Gu, Jin-Zhong; Lv, Dong-Yu; Gao, Zhu-Qing; Liu, Jian-Zhao; Dou, Wei; Tang, Yu","Synthesis, structures, luminescent and magnetic properties of four coordination polymers with the flexible 1,3-phenylenediacetate ligands","Journal of Solid State Chemistry","2011","184","3","675","683","10.1016/j.jssc.2011.01.030","","","0.71073","MoKα","","0.0192","0.0186","","","0.0478","0.0484","","","","","","1.042","","","","has coordinates","266358","2021-06-10","09:18:27",""
"1563297","23.315","0.003","9.7287","0.0013","11.8332","0.0016","90","","104.487","0.007","90","","2598.7","0.6","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H26 Co3 N2 O12 -","- C24 H26 Co3 N2 O12 -","- C96 H104 Co12 N8 O48 -","4","1","","Gu, Jin-Zhong; Lv, Dong-Yu; Gao, Zhu-Qing; Liu, Jian-Zhao; Dou, Wei; Tang, Yu","Synthesis, structures, luminescent and magnetic properties of four coordination polymers with the flexible 1,3-phenylenediacetate ligands","Journal of Solid State Chemistry","2011","184","3","675","683","10.1016/j.jssc.2011.01.030","","","0.71073","MoKα","","0.0558","0.0427","","","0.0997","0.1063","","","","","","1.064","","","","has coordinates","266358","2021-06-10","09:18:30",""
"1563298","10.5225","0.0002","12.0132","0.0002","12.416","0.0002","105.686","0.001","97.029","0.001","92.763","0.001","1494.25","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 O14 Pr2 -","- C30 H28 O14 Pr2 -","- C60 H56 O28 Pr4 -","2","1","","Gu, Jin-Zhong; Lv, Dong-Yu; Gao, Zhu-Qing; Liu, Jian-Zhao; Dou, Wei; Tang, Yu","Synthesis, structures, luminescent and magnetic properties of four coordination polymers with the flexible 1,3-phenylenediacetate ligands","Journal of Solid State Chemistry","2011","184","3","675","683","10.1016/j.jssc.2011.01.030","","","0.71073","MoKα","","0.0312","0.0245","","","0.0531","0.0561","","","","","","1.026","","","","has coordinates","266358","2021-06-10","09:18:33",""
"1563299","13.408","0.004","13.913","0.004","25.689","0.008","91.795","0.005","102.529","0.004","114.456","0.004","4219","2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H104 N14 O130 Sb2 W36 -","- C84 H104 N14 O130 Sb2 W36 -","- C84 H104 N14 O130 Sb2 W36 -","1","0.5","","Han, Zhangang; Wang, Yanna; Song, Xuejun; Huang, Jiao; Zhai, Xueliang","Assemblies based on the directing effect of non-classical W18 anionic clusters and the rod-like trans-1,2-di-(4-pyridyl)-ethylen (bpe)","Journal of Solid State Chemistry","2011","184","3","690","697","10.1016/j.jssc.2011.01.041","","","0.71073","MoKα","","0.1118","0.0848","","","0.2474","0.2697","","","","","","1.045","","","","has coordinates","266360","2021-06-10","09:23:48",""
"1563300","15.5969","0.001","17.8244","0.0011","20.5325","0.0013","67.74","0.001","89.915","0.001","85.917","0.001","5267.3","0.6","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 As2 N10 Ni4 O73 W18 -","- C60 H64 As2 N10 Ni4 O73 W18 -","- C120 H128 As4 N20 Ni8 O146 W36 -","2","1","","Han, Zhangang; Wang, Yanna; Song, Xuejun; Huang, Jiao; Zhai, Xueliang","Assemblies based on the directing effect of non-classical W18 anionic clusters and the rod-like trans-1,2-di-(4-pyridyl)-ethylen (bpe)","Journal of Solid State Chemistry","2011","184","3","690","697","10.1016/j.jssc.2011.01.041","","","0.71073","MoKα","","0.0926","0.0627","","","0.1705","0.2051","","","","","","1.003","","","","has coordinates","266360","2021-06-10","09:23:49",""
"1563301","14.0642","0.001","22.4799","0.0015","15.6391","0.001","90","","102.133","0.001","90","","4834","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 Cd N12 O12 -","- C52 H30 Cd N12 O12 -","- C208 H120 Cd4 N48 O48 -","4","1","","Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan","A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands","Journal of Solid State Chemistry","2011","184","2","280","288","10.1016/j.jssc.2010.11.016","","","0.71073","MoKα","","0.0805","0.0403","","","0.0982","0.1086","","","","","","0.98","","","","has coordinates","266361","2021-06-10","09:34:22",""
"1563302","8.975","0.0009","17.6523","0.0017","12.6855","0.0012","90","","99.648","0.001","90","","1981.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cd N4 O5 -","- C21 H13 Cd N4 O5 -","- C84 H52 Cd4 N16 O20 -","4","1","","Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan","A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands","Journal of Solid State Chemistry","2011","184","2","280","288","10.1016/j.jssc.2010.11.016","","","0.71073","MoKα","","0.0493","0.0318","","","0.0652","0.0698","","","","","","1.025","","","","has coordinates","266361","2021-06-10","09:34:22",""
"1563303","9.4948","0.0015","10.7833","0.0017","13.591","0.002","93.82","0.002","102.414","0.002","104.722","0.002","1303.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Cd N4 O9 -","- C27 H24 Cd N4 O9 -","- C54 H48 Cd2 N8 O18 -","2","1","","Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan","A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands","Journal of Solid State Chemistry","2011","184","2","280","288","10.1016/j.jssc.2010.11.016","","","0.71073","MoKα","","0.0834","0.048","","","0.0942","0.1039","","","","","","0.881","","","","has coordinates","266361","2021-06-10","09:34:22",""
"1563304","13.805","0.005","9.278","0.005","25.858","0.005","90","0.005","90","0.005","90","0.005","3312","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H34 Cd N10 O6 -","- C36 H30 Cd N10 O6 -","- C144 H120 Cd4 N40 O24 -","4","0.5","","Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan","A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands","Journal of Solid State Chemistry","2011","184","2","280","288","10.1016/j.jssc.2010.11.016","","","0.71069","MoKα","","0.0395","0.0311","","","0.0879","0.0945","","","","","","1.059","","","","has coordinates","266361","2021-06-10","09:34:22",""
"1563305","20.627","0.002","20.627","0.002","35.584","0.005","90","","90","","90","","15140","3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C86 H62 Cd2 N20 O11 -","- C86 H56 Cd2 N20 O11 -","- C688 H448 Cd16 N160 O88 -","8","0.5","","Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan","A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands","Journal of Solid State Chemistry","2011","184","2","280","288","10.1016/j.jssc.2010.11.016","","","0.71073","MoKα","","0.1212","0.0539","","","0.1199","0.1538","","","","","","1","","","","has coordinates","266361","2021-06-10","09:34:23",""
"1563306","9.002","0.005","11.139","0.005","12.831","0.005","69.824","0.005","83.066","0.005","85.805","0.005","1198.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cd N6 O8 -","- C26 H18 Cd N6 O8 -","- C52 H36 Cd2 N12 O16 -","2","1","","Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan","A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands","Journal of Solid State Chemistry","2011","184","2","280","288","10.1016/j.jssc.2010.11.016","","","0.71069","MoKα","","0.0642","0.0433","","","0.079","0.0867","","","","","","1.01","","","","has coordinates","266361","2021-06-10","09:34:23",""
"1563307","20.587","0.005","20.587","0.005","34.824","0.005","90","0.005","90","0.005","90","0.005","14759","5","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C82 H58 Cd2 N16 O9 S4 -","- C82 H56 Cd2 N16 O9 S4 -","- C656 H448 Cd16 N128 O72 S32 -","8","0.5","","Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan","A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands","Journal of Solid State Chemistry","2011","184","2","280","288","10.1016/j.jssc.2010.11.016","","","0.71069","MoKα","","0.0664","0.034","","","0.0737","0.0949","","","","","","1.079","","","","has coordinates","266361","2021-06-10","09:34:23",""
"1563308","9.4044","0.0002","9.4044","","5.8855","0.0003","90","","90","","120","","450.79","0.02","298","","298","","","","","","","","","3","P 63","P 6c","173","","Dysprosium thioborate","","- B3.33 Dy6 S14 -","- B3.3334 Dy6 S14 -","- B3.3334 Dy6 S14 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.0989","","1","","","","","","","has coordinates","266362","2021-06-10","09:42:18",""
"1563309","9.3279","0.0012","9.3279","","5.8793","0.0008","90","","90","","120","","443.02","0.08","298","","298","","","","","","","","","3","P 63","P 6c","173","","Erbium thioborate","","- B3.33 Er6 S14 -","- B3.33334 Er6 S14 -","- B3.33334 Er6 S14 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.54061","CuKα~1~","","","","","","","","0.1372","","2.08","","","","","","","has coordinates","266362","2021-06-10","09:42:21",""
"1563310","9.3703","0.0001","9.3703","","5.8826","0.0001","90","","90","","120","","447.308","0.009","298","","298","","","","","","","","","3","P 63","P 6c","173","","Holmium thioborate","","- B3.33 Ho6 S14 -","- B3.33334 Ho6 S14 -","- B3.33334 Ho6 S14 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06374","","1.74","","","","","","","has coordinates","266362","2021-06-10","09:42:22",""
"1563311","9.2162","0.0003","9.2162","","5.8911","0.0003","90","","90","","120","","433.34","0.03","298","","298","","","","","","","","","3","P 63","P 6c","173","","Lutetium thioborate","","- B3.33 Lu6 S14 -","- B3.33334 Lu6 S14 -","- B3.33334 Lu6 S14 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.08719","","1.26","","","","","","","has coordinates","266362","2021-06-10","09:42:22",""
"1563312","9.2869","0.0003","9.2869","","5.8781","0.0003","90","","90","","120","","439.05","0.03","298","","298","","","","","","","","","3","P 63","P 6c","173","","Thulium thioborate","","- B3.33 S14 Tm6 -","- B3.33334 S14 Tm6 -","- B3.33334 S14 Tm6 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.54059","CuKα~1~","","","","","","","","0.02413","","1.58","","","","","","","has coordinates","266362","2021-06-10","09:42:22",""
"1563313","9.2514","0.0005","9.2514","","5.8805","0.0006","90","","90","","120","","435.87","0.05","298","","298","","","","","","","","","3","P 63","P 6c","173","","Ytterbium thioborate","","- B3.33 S14 Yb6 -","- B3.3334 S14 Yb6 -","- B3.3334 S14 Yb6 -","1","0.166667","","Borna, Marija; Hunger, Jens; Ormeci, Alim; Zahn, Dirk; Burkhardt, Ulrich; Carrillo-Cabrera, Wilder; Cardoso-Gil, Raul; Kniep, Rüdiger","High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)‒thioborate‒sulfides RE9[BS3]2[BS4]3S3, (RE=Dy‒Lu)","Journal of Solid State Chemistry","2011","184","2","296","303","10.1016/j.jssc.2010.11.004","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.0289","","1.82","","","","","","","has coordinates","266362","2021-06-10","09:42:25",""
"1563326","10.17","0.0014","10.0303","0.0014","9.6494","0.0013","90","","95.671","0.002","90","","979.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cesium thorium bis(molybdate) chloride","","","- Cl Cs Mo2 O8 Th -","- Cl Cs Mo2 O8 Th -","- Cl4 Cs4 Mo8 O32 Th4 -","4","1","","Bang Jin, Geng; Soderholm, L.","Syntheses and single-crystal structures of CsTh(MoO4)2Cl and Na4Th(WO4)4","Journal of Solid State Chemistry","2011","184","2","337","342","10.1016/j.jssc.2010.12.003","","","0.71073","MoKα","","0.0315","0.0265","","","0.0582","0.0597","","","","","","1.1","","","","has coordinates","266391","2021-06-11","06:57:09",""
"1563327","11.4366","0.0012","11.4366","0.0012","11.833","0.002","90","","90","","90","","1547.7","0.3","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","Sodium thorium tetrakis(tungstates)","","","- Na4 O16 Th W4 -","- Na4 O16 Th W4 -","- Na16 O64 Th4 W16 -","4","0.25","","Bang Jin, Geng; Soderholm, L.","Syntheses and single-crystal structures of CsTh(MoO4)2Cl and Na4Th(WO4)4","Journal of Solid State Chemistry","2011","184","2","337","342","10.1016/j.jssc.2010.12.003","","","0.71073","MoKα","","0.0461","0.0302","","","0.0659","0.0706","","","","","","1.058","","","","has coordinates","266391","2021-06-11","06:57:10",""
"1563328","9.423","0.0008","9.947","0.0008","11.419","0.001","93.633","0.001","98.092","0.001","110.649","0.001","984.17","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Ce O10 -","- C15 H7 Ce O10 -","- C30 H14 Ce2 O20 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0357","0.0337","","","0.1085","0.1107","","","","","","0.997","","","","has coordinates","266392","2021-06-11","07:07:53",""
"1563329","9.398","0.0019","9.911","0.002","11.422","0.002","93.965","0.003","98.131","0.003","110.782","0.002","976.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 O10 Pr -","- C15 H7 O10 Pr -","- C30 H14 O20 Pr2 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0523","0.0467","","","0.1396","0.1448","","","","","","1.028","","","","has coordinates","266392","2021-06-11","07:08:04",""
"1563330","9.37","0.0007","9.902","0.0007","11.429","0.0009","93.942","0.001","98.075","0.001","110.692","0.001","974.11","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Nd O10 -","- C15 H7 Nd O10 -","- C30 H14 Nd2 O20 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0342","0.0326","","","0.1051","0.1072","","","","","","1.001","","","","has coordinates","266392","2021-06-11","07:08:04",""
"1563331","9.341","0.001","9.865","0.0012","11.415","0.0012","94.033","0.001","98.332","0.001","110.809","0.001","964.41","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 O10 Sm -","- C15 H7 O10 Sm -","- C30 H14 O20 Sm2 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0388","0.0348","","","0.1111","0.115","","","","","","1.007","","","","has coordinates","266392","2021-06-11","07:08:04",""
"1563332","9.341","0.0007","9.849","0.0008","11.422","0.0009","94.076","0.001","98.577","0.001","110.927","0.001","961.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Eu O10 -","- C15 H7 Eu O10 -","- C30 H14 Eu2 O20 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0337","0.0316","","","0.1033","0.107","","","","","","1.005","","","","has coordinates","266392","2021-06-11","07:08:04",""
"1563333","9.331","0.0009","9.841","0.0009","11.423","0.0011","94.224","0.001","98.51","0.001","110.952","0.001","959.65","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Gd O10 -","- C15 H7 Gd O10 -","- C30 H14 Gd2 O20 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0407","0.0366","","","0.1132","0.1184","","","","","","0.994","","","","has coordinates","266392","2021-06-11","07:08:04",""
"1563334","9.341","0.0008","9.813","0.0009","11.395","0.001","94.247","0.001","99.087","0.001","111.259","0.001","951.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Dy O10 -","- C15 H7 Dy O10 -","- C30 H14 Dy2 O20 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0356","0.0327","","","0.1017","0.104","","","","","","0.993","","","","has coordinates","266392","2021-06-11","07:08:04",""
"1563335","9.349","0.0012","9.8","0.0013","11.379","0.0015","94.441","0.002","99.305","0.001","111.527","0.001","946.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Er O10 -","- C15 H7 Er O10 -","- C30 H14 Er2 O20 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0392","0.0355","","","0.1122","0.1156","","","","","","1.002","","","","has coordinates","266392","2021-06-11","07:08:04",""
"1563336","9.356","0.0006","9.796","0.0007","11.415","0.0008","94.799","0.001","99.614","0.001","111.738","0.001","945.98","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 O10 Tm -","- C15 H7 O10 Tm -","- C30 H14 O20 Tm2 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0313","0.0297","","","0.1005","0.1037","","","","","","1.02","","","","has coordinates","266392","2021-06-11","07:08:04",""
"1563337","9.353","0.0016","9.797","0.0016","11.388","0.0019","94.34","0.002","99.407","0.002","111.455","0.002","947.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 O10 Y -","- C15 H7 O10 Y -","- C30 H14 O20 Y2 -","2","1","","Qin, Junsheng; Du, Dongying; Chen, Lei; Sun, Xiuyun; Lan, Yaqian; Su, Zhongmin","Syntheses, structures and luminescent properties of a series of 3D lanthanide coordination polymers with tripodal semirigid ligand","Journal of Solid State Chemistry","2011","184","2","373","378","10.1016/j.jssc.2010.11.012","","","0.71069","MoKα","","0.0795","0.0632","","","0.1991","0.2155","","","","","","1.005","","","","has coordinates","266392","2021-06-11","07:08:04",""
"1563338","9.0084","0.0018","7.6993","0.0019","15.156","0.002","90","","90","0.01","90","","1051.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(CuHg(mu-NCS)4)n","","","- C4 Cu Hg N4 S4 -","- C4 Cu Hg N4 S4 -","- C16 Cu4 Hg4 N16 S16 -","4","0.5","","Khandar, Ali Akbar; Klein, Axel; Bakhtiari, Akbar; Mahjoub, Ali Reza; Pohl, Roland W.H.","Dicarboxylate assisted synthesis of the monoclinic heterometallic tetrathiocyanato bridged copper(II) and mercury(II) coordination polymer {Cu[Hg(SCN)4]} : Synthesis, structural, vibration, luminescence, EPR studies and DFT calculations","Journal of Solid State Chemistry","2011","184","2","379","386","10.1016/j.jssc.2010.12.012","","","0.71073","MoKα","","0.061","0.0352","","","0.064","0.0696","","","","","","0.815","","","","has coordinates","266393","2021-06-11","07:11:30",""
"1563339","7.0849","0.0019","11.986","0.003","13.913","0.004","90","","90","","90","","1181.5","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Silver uranyl hydrogen tellurate","","","- Ag O7 Te U -","- Ag O7 Te U -","- Ag8 O56 Te8 U8 -","8","1","","Ling, Jie; Ward, Matthew; Burns, Peter C.","Hydrothermal syntheses and structures of the uranyl tellurates AgUO2(HTeO5) and Pb2UO2(TeO6)","Journal of Solid State Chemistry","2011","184","2","401","404","10.1016/j.jssc.2010.12.007","","","0.71073","MoKα","","0.0627","0.0404","","","0.0935","0.103","","","","","","1.02","","","","has coordinates","266394","2021-06-11","07:18:03",""
"1563340","5.742","0.0013","7.7891","0.0018","7.9284","0.0019","90","","90.703","0.002","90","","354.57","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lead uranyl tellurate","","","- O8 Pb2 Te U -","- O8 Pb2 Te U -","- O16 Pb4 Te2 U2 -","2","0.5","","Ling, Jie; Ward, Matthew; Burns, Peter C.","Hydrothermal syntheses and structures of the uranyl tellurates AgUO2(HTeO5) and Pb2UO2(TeO6)","Journal of Solid State Chemistry","2011","184","2","401","404","10.1016/j.jssc.2010.12.007","","","0.71073","MoKα","","0.0265","0.0223","","","0.0492","0.0504","","","","","","1.174","","","","has coordinates","266394","2021-06-11","07:18:03",""
"1563341","12.6368","0.0007","9.5556","0.0006","8.3736","0.0005","90","","90","","90","","1011.13","0.1","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium silicon bismuthide (5/1/2)","cerium silicon bismuthide (5/1/2)","","- Bi2.13 Ce5 Si0.88 -","- Bi2.131 Ce5 Si0.869 -","- Bi8.524 Ce20 Si3.476 -","4","0.5","","Barry, Stephen D.; Tkachuk, Andriy V.; Bie, Haiying; Blanchard, Peter E.R.; Mar, Arthur","Ternary rare-earth bismuthides RE5SiBi2 and RE5GeBi2 (RE=La‒Nd, Gd‒Er): Stabilization of the β-Yb5Sb3-type structure through tetrel substitution","Journal of Solid State Chemistry","2011","184","1","21","29","10.1016/j.jssc.2010.10.007","","","0.71073","MoKα","","0.0532","0.0435","","","0.0928","0.0958","","","","","","1.134","","","","has coordinates","266395","2021-06-11","07:25:15",""
"1563342","5.7763","0.0004","10.991","0.0009","18.2042","0.0013","88.517","0.004","87.194","0.003","75.165","0.003","1115.77","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- Na27 O48 Ru14 -","- Na26.736 O48 Ru14.0517 -","- Na26.736 O48 Ru14.0517 -","1","0.5","","Allred, J.M.; Wang, L.M.; Khalifah, P.; Cava, R.J.","Na27Ru14O48: A new mixed-valence sodium ruthenate with magnetic heptameric plaquettes","Journal of Solid State Chemistry","2011","184","1","44","51","10.1016/j.jssc.2010.10.016","","","0.71073","MoKα","","0.0539","0.0424","","","0.1049","0.1101","","","","","","1.066","","","","has coordinates,has disorder","266396","2021-06-11","07:29:01",""
"1563343","3.9469","0.0003","3.9469","0.0003","6.4636","0.0004","90","","90","","120","","87.2","0.011","295","2","295","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","erbium copper zinc phosphide (1/1/1/2)","erbium copper zinc phosphide (1/1/1/2)","","- Cu Er P2 Zn -","- Cu Er P2 Zn -","- Cu Er P2 Zn -","1","0.0833333","","Blanchard, Peter E.R.; Stoyko, Stanislav S.; Cavell, Ronald G.; Mar, Arthur","Crystal and electronic structures of CaAl2Si2-type rare-earth copper zinc phosphides RECuZnP2 (RE=Pr, Nd, Gd‒Tm, Lu)","Journal of Solid State Chemistry","2011","184","1","97","103","10.1016/j.jssc.2010.11.001","","","0.71073","MoKα","","0.0118","0.0118","","","0.0289","0.0289","","","","","","1.186","","","","has coordinates","266397","2021-06-11","07:33:37",""
"1563344","11.284","0.002","6.5264","0.0013","9.5399","0.0019","90","","112.81","0.03","90","","647.6","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","erbium orthoborate","","","- B Er O3 -","- B Er O3 -","- B12 Er12 O36 -","12","1.5","","Pitscheider, Almut; Kaindl, Reinhard; Oeckler, Oliver; Huppertz, Hubert","The crystal structure of π-ErBO3: New single-crystal data for an old problem","Journal of Solid State Chemistry","2011","184","1","149","153","10.1016/j.jssc.2010.11.018","","","0.71073","MoKα","","0.0124","0.012","","","0.0401","0.0404","","","","","","1.016","","","","has coordinates","266398","2021-06-11","07:49:17",""
"1563345","11.7595","0.0016","12.994","0.002","13.93","0.002","89.367","0.006","74.859","0.006","75.365","0.006","1984.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Er N5 O17 -","- C36 H35 Er N5 O17 -","- C72 H70 Er2 N10 O34 -","2","1","","Wang, Qing; Yan, Xuhuan; Zhang, Hongrui; Liu, Weisheng; Tang, Yu; Tan, Minyu","Crystal structures and luminescent properties of lanthanide nitrate coordination polymers with structurally related amide type bridging podands","Journal of Solid State Chemistry","2011","184","1","164","170","10.1016/j.jssc.2010.11.011","","","0.71073","MoKα","","0.0468","0.0408","","","0.1079","0.1121","","","","","","1.048","","","","has coordinates","266399","2021-06-11","07:53:50",""
"1563346","17.818","0.004","17.818","","23.674","0.006","90","","90","","90","","7516","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N7 O15 Tb -","- C34 H34 N7 O15 Tb -","- C272 H272 N56 O120 Tb8 -","8","1","","Wang, Qing; Yan, Xuhuan; Zhang, Hongrui; Liu, Weisheng; Tang, Yu; Tan, Minyu","Crystal structures and luminescent properties of lanthanide nitrate coordination polymers with structurally related amide type bridging podands","Journal of Solid State Chemistry","2011","184","1","164","170","10.1016/j.jssc.2010.11.011","","","0.71073","MoKα","","0.0604","0.0304","","","0.0613","0.0727","","","","","","1.002","","","","has coordinates","266399","2021-06-11","07:53:50",""
"1563347","20.085","0.003","12.6741","0.0009","21.132","0.003","90","","110.983","0.015","90","","5022.6","1.2","183","2","183","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cs0 Eu2 Ge2 K8 Na4 O111 W22 -","- C4 H6 Eu2 Ge2 K8 Na4 O111 W22 -","- C8 H12 Eu4 Ge4 K16 Na8 O222 W44 -","2","0.5","","Hussain, Firasat; Sandriesser, Stefan; Speldrich, Manfred; Patzke, Greta R.","A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: [{Ln(CH3COO)GeW11O39(H2O)}2]12− {Ln=EuIII, GdIII, TbIII, DyIII, HoIII, ErIII, TmIII, and YbIII}","Journal of Solid State Chemistry","2011","184","1","214","219","10.1016/j.jssc.2010.11.005","","","0.71073","MoKα","","0.1227","0.0484","","","0.0665","0.0755","","","","","","0.789","","","","has coordinates","266400","2021-06-11","08:03:59",""
"1563348","20.1264","0.0002","12.6758","0.0001","21.1523","0.0002","90","","110.839","0.001","90","","5043.33","0.09","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Gd2 Ge2 K8 Na4 O110 W22 -","- C4 H6 Gd2 Ge2 K8 Na4 O110 W22 -","- C8 H12 Gd4 Ge4 K16 Na8 O220 W44 -","2","0.5","","Hussain, Firasat; Sandriesser, Stefan; Speldrich, Manfred; Patzke, Greta R.","A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: [{Ln(CH3COO)GeW11O39(H2O)}2]12− {Ln=EuIII, GdIII, TbIII, DyIII, HoIII, ErIII, TmIII, and YbIII}","Journal of Solid State Chemistry","2011","184","1","214","219","10.1016/j.jssc.2010.11.005","","","0.71073","MoKα","","0.0558","0.0346","","","0.0736","0.0773","","","","","","0.976","","","","has coordinates","266400","2021-06-11","08:04:00",""
"1563349","20.1171","0.0005","12.6768","0.0002","21.13","0.0005","90","","110.886","0.003","90","","5034.5","0.2","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Ge2 K8 Na4 O110 Tb2 W22 -","- C4 H6 Ge2 K8 Na4 O110 Tb2 W22 -","- C8 H12 Ge4 K16 Na8 O220 Tb4 W44 -","2","0.5","","Hussain, Firasat; Sandriesser, Stefan; Speldrich, Manfred; Patzke, Greta R.","A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: [{Ln(CH3COO)GeW11O39(H2O)}2]12− {Ln=EuIII, GdIII, TbIII, DyIII, HoIII, ErIII, TmIII, and YbIII}","Journal of Solid State Chemistry","2011","184","1","214","219","10.1016/j.jssc.2010.11.005","","","0.71073","MoKα","","0.0852","0.0461","","","0.0882","0.0948","","","","","","0.942","","","","has coordinates","266400","2021-06-11","08:04:00",""
"1563350","20.1294","0.0007","12.6712","0.0003","21.1602","0.0006","90","","111.011","0.004","90","","5038.3","0.3","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Ge2 Ho2 K7.6 Na4 O110 W22 -","- C4 H6 Ge2 Ho2 K7.6 Na4 O110 W22 -","- C8 H12 Ge4 Ho4 K15.2 Na8 O220 W44 -","2","0.5","","Hussain, Firasat; Sandriesser, Stefan; Speldrich, Manfred; Patzke, Greta R.","A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: [{Ln(CH3COO)GeW11O39(H2O)}2]12− {Ln=EuIII, GdIII, TbIII, DyIII, HoIII, ErIII, TmIII, and YbIII}","Journal of Solid State Chemistry","2011","184","1","214","219","10.1016/j.jssc.2010.11.005","","","0.71073","MoKα","","0.1068","0.0537","","","0.1041","0.1137","","","","","","0.895","","","","has coordinates","266400","2021-06-11","08:04:00",""
"1563351","20.1187","0.0006","12.6618","0.0002","21.1639","0.0005","90","","110.858","0.003","90","","5038","0.2","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Er2 Ge2 K8 Na4 O110 W22 -","- C4 H6 Er2 Ge2 K8 Na4 O110 W22 -","- C8 H12 Er4 Ge4 K16 Na8 O220 W44 -","2","0.5","","Hussain, Firasat; Sandriesser, Stefan; Speldrich, Manfred; Patzke, Greta R.","A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: [{Ln(CH3COO)GeW11O39(H2O)}2]12− {Ln=EuIII, GdIII, TbIII, DyIII, HoIII, ErIII, TmIII, and YbIII}","Journal of Solid State Chemistry","2011","184","1","214","219","10.1016/j.jssc.2010.11.005","","","0.71073","MoKα","","0.0746","0.0386","","","0.0592","0.0635","","","","","","0.804","","","","has coordinates","266400","2021-06-11","08:04:00",""
"1563352","20.0982","0.0009","12.6573","0.0003","21.1193","0.0007","90","","110.987","0.004","90","","5016.1","0.3","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Ge2 K7.6 Na4.4 O108 Tm2 W22 -","- C4 Ge2 K7.6 Na4.4 O108 Tm2 W22 -","- C8 Ge4 K15.2 Na8.8 O216 Tm4 W44 -","2","0.5","","Hussain, Firasat; Sandriesser, Stefan; Speldrich, Manfred; Patzke, Greta R.","A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: [{Ln(CH3COO)GeW11O39(H2O)}2]12− {Ln=EuIII, GdIII, TbIII, DyIII, HoIII, ErIII, TmIII, and YbIII}","Journal of Solid State Chemistry","2011","184","1","214","219","10.1016/j.jssc.2010.11.005","","","0.71073","MoKα","","0.0774","0.0403","","","0.0596","0.0638","","","","","","0.816","","","","has coordinates","266400","2021-06-11","08:04:00",""
"1563353","19.9221","0.0002","12.5672","0.0001","20.9741","0.0002","90","","111.263","0.001","90","","4893.71","0.08","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Ge2 K8 Na2 O108 W22 Yb2 -","- C4 H6 Ge2 K8 Na2 O108 W22 Yb2 -","- C8 H12 Ge4 K16 Na4 O216 W44 Yb4 -","2","0.5","","Hussain, Firasat; Sandriesser, Stefan; Speldrich, Manfred; Patzke, Greta R.","A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: [{Ln(CH3COO)GeW11O39(H2O)}2]12− {Ln=EuIII, GdIII, TbIII, DyIII, HoIII, ErIII, TmIII, and YbIII}","Journal of Solid State Chemistry","2011","184","1","214","219","10.1016/j.jssc.2010.11.005","","","0.71073","MoKα","","0.061","0.0453","","","0.1271","0.1316","","","","","","1.032","","","","has coordinates","266400","2021-06-11","08:04:00",""
"1566120","10.8287","0.0015","20.646","0.002","15.0174","0.0018","90","","100.878","0.011","90","","3297.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cu N5 O5 S -","- C13 H15 Cu N5 O5 S -","- C104 H120 Cu8 N40 O40 S8 -","8","2","","Khavasi, Hamid Reza; Sasan, Koroush; Hashjin, Shahin Sowlati; Zahedi, Mansour","A new mixed-ligand complex of copper(II) containing N-(2-pyridylmethyl)-2-pyrazinecarboxamide (NPyPzCa): Synthesis, molecular and crystal structure and properties of [Cu(NPyPzCa)(NO3)(DMSO)]","Comptes Rendus Chimie","2011","14","6","563","567","10.1016/j.crci.2010.11.006","","","0.71073","MoKα","","0.0871","0.0814","","","0.1806","0.1925","","","","","","1.356","","","","has coordinates","272221","2022-01-25","10:20:25",""
"1566330","10.237","","10.237","","7.426","","90","","90","","120","","673.955","","293","","293","","","","","","","","","5","P 63/m","-P 6c","176","","","","- As3 Cl O12 Pb5 Si0 -","- As3 Cl O12 Pb5 -","- As6 Cl2 O24 Pb10 -","2","0.166667","","Jiri Sejkora; Jakub Plasil; Ivana Cisarova; Radek Skoda; Jan Hlousek; Frantisek Veselovsky; Ivana Jebava","Interesting supergene Pb-rich mineral association from the Rovnost mining field, Jachymov (St. Joachimsthal), Czech Republic","Journal of GeoSciences","2011","56","","257","271","10.3190/jgeosci.100","","","0.71073","MoKα","","0.0646","0.0381","","","0.0866","0.0916","","","","2.5","2.5","2.25","","","","has coordinates","272833","2022-02-07","09:18:49",""
"1570309","7.70829","0.00011","6.53521","0.0001","6.1365","0.0007","90","","90","","90","","309.13","0.04","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","Lithium tetrasulfidophosphate(V)","Lithium tetrasulfidophosphate(V)","","- Li3 P S4 -","- Li3 P S3.91 -","- Li6 P2 S7.82 -","2","0.5","","Homma, Kenji; Yonemura, Masao; Kobayashi, Takeshi; Nagao, Miki; Hirayama, Masaaki; Kanno, Ryoji","Crystal structure and phase transitions of the lithium ionic conductor Li3PS4","Solid State Ionics","2011","182","1","53","58","10.1016/j.ssi.2010.10.001","","","0.601806","","","","","","","","","","","","","","","","","","has coordinates","287614","2023-11-15","12:16:41",""
"1570310","12.819","0.0005","8.2195","0.0004","6.1236","0.0002","90","","90","","90","","645.22","0.05","637","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Lithium tetrasulfidophosphate(V)","Lithium tetrasulfidophosphate(V)","","- Li3 P S4 -","- Li3 P S4 -","- Li12 P4 S16 -","4","0.5","","Homma, Kenji; Yonemura, Masao; Kobayashi, Takeshi; Nagao, Miki; Hirayama, Masaaki; Kanno, Ryoji","Crystal structure and phase transitions of the lithium ionic conductor Li3PS4","Solid State Ionics","2011","182","1","53","58","10.1016/j.ssi.2010.10.001","","","","","","","","","","","","","","","","","","","","","has coordinates","287615","2023-11-15","12:40:44",""
"2017920","8.1587","0.0016","9.8055","0.0019","27.758","0.005","90","","94.358","0.003","90","","2214.2","0.7","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)- <i>N</i>-methylpyridine-2-carboxamide","","- C21 H16 Cl F3 N4 O3 -","- C21 H16 Cl F3 N4 O3 -","- C84 H64 Cl4 F12 N16 O12 -","4","1","DN3155","Ravikumar, K.; Sridhar, B.; Bhujanga Rao, A. K. S.; Pulla Reddy, M.","Sorafenib and its tosylate salt: a multikinase inhibitor for treating cancer","Acta Crystallographica Section C","2011","67","1","o29","o32","10.1107/S0108270110047451","","","0.71073","MoKα","","0.0447","0.0368","","","0.0961","0.1023","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017921","21.276","0.004","9.116","0.0017","16.077","0.003","90","","108.143","0.003","90","","2963.1","1","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-2-(<i>N</i>- methylcarbamoyl)pyridinium 4-methylbenzenesulfonate","","- C28 H24 Cl F3 N4 O6 S -","- C28 H24 Cl F3 N4 O6 S -","- C112 H96 Cl4 F12 N16 O24 S4 -","4","1","DN3155","Ravikumar, K.; Sridhar, B.; Bhujanga Rao, A. K. S.; Pulla Reddy, M.","Sorafenib and its tosylate salt: a multikinase inhibitor for treating cancer","Acta Crystallographica Section C","2011","67","1","o29","o32","10.1107/S0108270110047451","","","0.71073","MoKα","","0.0741","0.05","","","0.1278","0.1422","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017922","6.6257","0.0004","26.488","0.002","8.0032","0.0005","90","","100.347","0.005","90","","1381.73","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","nitrofurantoin dimethyl sulfoxide monosolvate","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethyl sulfoxide monosolvate","","- C10 H12 N4 O6 S -","- C10 H12 N4 O6 S -","- C40 H48 N16 O24 S4 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.091","0.0499","","","0.0975","0.1098","","","","","","0.885","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017923","16.171","0.0011","13.7985","0.0008","10.3465","0.0008","90","","102.358","0.006","90","","2255.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","nitrofurantoin dimethyl sulfoxide hemisolvate","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethyl sulfoxide hemisolvate","","- C9 H9 N4 O5.5 S0.5 -","- C9 H9 N4 O5.5 S0.5 -","- C72 H72 N32 O44 S4 -","8","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.047","0.0386","","","0.0961","0.0998","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017924","6.6544","0.0005","7.9842","0.0006","14.3515","0.0011","100.021","0.006","93.566","0.006","99.274","0.006","737.85","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","nitrofurantoin dimethylacetamide monosolvate","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dion dimethylacetamide monosolvate","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C24 H30 N10 O12 -","2","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0587","0.0384","","","0.0934","0.1004","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017925","16.2038","0.0016","7.4215","0.0005","13.1195","0.0012","90","","111.681","0.007","90","","1466.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitrofurantoin dimethylacetamide monosolvate","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dion dimethylacetamide monosolvate","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0989","0.0504","","","0.0941","0.1064","","","","","","0.853","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017926","20.874","0.002","11.5433","0.0009","8.7162","0.0009","90","","100.708","0.009","90","","2063.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitrofurantoin dimethylacetamide disolvat","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethylacetamide disolvat","","- C16 H24 N6 O7 -","- C16 H24 N6 O7 -","- C64 H96 N24 O28 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0606","0.0467","","","0.1195","0.1261","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017927","11.3031","0.0007","13.1539","0.0008","9.3959","0.0005","90","","94.327","0.005","90","","1393","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diacetaminopyridine dimethylformamide monosolvate","","- C12 H18 N4 O3 -","- C12 H18 N4 O3 -","- C48 H72 N16 O12 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0583","0.0415","","","0.0931","0.099","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017928","9.8407","0.0006","17.9443","0.001","10.9902","0.0006","90","","97.839","0.005","90","","1922.56","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nitrofurantoin‒2,6-diacetaminopyridine (1/1)","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione‒2,6- diacetaminopyridine (1/1)","","- C17 H17 N7 O7 -","- C17 H17 N7 O7 -","- C68 H68 N28 O28 -","4","1","EG3064","Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst","Five pseudopolymorphs and a cocrystal of nitrofurantoin","Acta Crystallographica Section C","2011","67","1","o18","o25","10.1107/S0108270110046755","","","0.71073","MoKα","","0.0597","0.0444","","","0.1151","0.1222","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017929","8.7142","0.0002","12.0207","0.0003","13.9102","0.0004","90","","100.974","0.0018","90","","1430.46","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(<i>E</i>)-1,3-dimethyl-4,5,6,7-tetrahydro-2-benzofuran-4-ylidene]-4- isopropylidenetetrahydrofuran-2,5-dione","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0452","0.0369","","","0.0928","0.0986","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017930","9.1881","0.0002","12.0022","0.0003","13.7215","0.0003","90","","100.433","0.0013","90","","1488.16","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(<i>E</i>)-1,3-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>- cyclohepta[<i>c</i>]furan-4-ylidene]-4-isopropylidenetetrahydrofuran-2,5-dione","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0451","0.0349","","","0.0861","0.0909","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017931","8.7024","0.0002","12.8964","0.0004","26.9492","0.0007","90","","90","","90","","3024.5","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-[(<i>Z</i>)-1,3-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-\ cyclohepta[<i>c</i>]furan-4-ylidene]-4-isopropylidenetetrahydrofuran-2,5-dione","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0542","0.0377","","","0.0885","0.0965","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017932","7.175","0.0002","12.0569","0.0002","19.9592","0.0004","103.814","0.0012","91.1022","0.0013","106.593","0.0012","1599.77","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","3-isopropylidene-4-[(<i>E</i>)-1-(5-methoxy-2-methyl-1-benzofuran-3- yl)ethylidene]tetrahydrofuran-2,5-dione","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","2","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0532","0.0396","","","0.0992","0.1069","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017933","26.5923","0.0004","8.614","0.0001","15.355","0.0002","90","","115.848","0.0008","90","","3165.41","0.08","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-isopropylidene-4-[(<i>Z</i>)-1-(5-methoxy-2-methyl-1-benzofuran-3- yl)ethylidene]tetrahydrofuran-2,5-dione","","- C19 H18 O5 -","- C19 H18 O5 -","- C152 H144 O40 -","8","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0383","0.0339","","","0.0882","0.0911","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017934","3.9293","0.0003","8.6611","0.0007","9.6044","0.0008","83.111","0.005","88.09","0.006","81.479","0.006","320.88","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,6-diaminopyrimidin-4(3<i>H</i>)-one monohydrate","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C8 H16 N8 O4 -","2","1","FN3068","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah; Olmstead, Marilyn M.","Two new polymorphs of 2,6-diaminopyrimidin-4(3<i>H</i>)-one monohydrate","Acta Crystallographica Section C","2011","67","1","o6","o9","10.1107/S0108270110046317","","","0.71073","MoKα","","0.0394","0.0358","","","0.1068","0.1118","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017935","17.236","0.011","3.987","0.003","18.717","0.012","90","","104.45","0.009","90","","1245.5","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-diaminopyrimidin-4(3<i>H</i>)-one monohydrate","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C32 H64 N32 O16 -","8","1","FN3068","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah; Olmstead, Marilyn M.","Two new polymorphs of 2,6-diaminopyrimidin-4(3<i>H</i>)-one monohydrate","Acta Crystallographica Section C","2011","67","1","o6","o9","10.1107/S0108270110046317","","","0.71073","MoKα","","0.0893","0.0556","","","0.1306","0.1477","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017936","11.633","0.001","26.665","0.002","15.2364","0.0014","90","","91.513","0.001","90","","4724.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate","","- C33 H24 Br -","- C33 H24 Br -","- C264 H192 Br8 -","8","2","GZ3187","Mague, Joel T.; Chudomel, J. Matthew; Lahti, Paul M.","2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate and 9-bromodinaphth[1,2-<i>a</i>:2',1'-<i>j</i>]anthracene","Acta Crystallographica Section C","2011","67","1","o43","o46","10.1107/S0108270110052297","","","0.71073","MoKα","","0.0766","0.0425","","","0.089","0.1011","","","","","","1.011","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017937","19.749","0.003","13.2672","0.0017","7.3108","0.0009","90","","90.021","0.002","90","","1915.5","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-bromodinaphth[1,2-<i>a</i>:2',1'-<i>j</i>]anthracene","","- C30 H17 Br -","- C30 H17 Br -","- C120 H68 Br4 -","4","1","GZ3187","Mague, Joel T.; Chudomel, J. Matthew; Lahti, Paul M.","2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate and 9-bromodinaphth[1,2-<i>a</i>:2',1'-<i>j</i>]anthracene","Acta Crystallographica Section C","2011","67","1","o43","o46","10.1107/S0108270110052297","","","0.71073","MoKα","","0.0366","0.0301","","","0.0695","0.0731","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017938","21.053","0.004","7.203","0.0014","13.37","0.003","90","","92","0.01","90","","2026.3","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate","","- C28 H42 Co O28 P4 -","- C28 H42 Co O28 P4 -","- C56 H84 Co2 O56 P8 -","2","0.5","GZ3188","Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta","Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate","Acta Crystallographica Section C","2011","67","1","m9","m12","10.1107/S0108270110051425","","","0.71073","MoKα","","0.0819","0.0355","","","0.0623","0.0729","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017939","5.054","0.0002","6.2507","0.0002","10.9778","0.0002","85.57","0.001","88.638","0.001","84.509","0.002","344.131","0.019","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","poly[(μ~3~-3-aminocarbonylpyrazine-2-carboxylato- κ^3^<i>N</i>^1^:<i>O</i>^2^:<i>O</i>^2'^)silver(I)]","","- C6 H4 Ag N3 O3 -","- C6 H4 Ag N3 O3 -","- C12 H8 Ag2 N6 O6 -","2","1","JZ3193","Massoud, Al-shima'a A.; Langer, Vratislav; Abu-Youssef, Morsy A. M.; Öhrström, Lars","The coordination polymer poly[(μ~3~-3-aminocarbonylpyrazine-2-carboxylato-κ^3^<i>N</i>^1^:<i>O</i>^2^:<i>O</i>^2'^)silver(I)]","Acta Crystallographica Section C","2011","67","1","m1","m4","10.1107/S0108270110049875","","","0.71073","MoKα","","0.0787","0.0473","","","0.0801","0.0909","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017940","8.742","0.002","9.403","0.003","17.979","0.003","90","","90","","90","","1477.9","0.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Caesium aluminium dizirconium tetrakis[phosphate(V)]","","- Al Cs O16 P4 Zr2 -","- Al Cs O16 P4 Zr2 -","- Al4 Cs4 O64 P16 Zr8 -","4","0.5","KU3036","Zhao, Dan; Li, Fei-Fei; Zhang, Ai-Yun; Yang, Lei; Zhu, Rui","CsAlZr~2~(PO~4~)~4~: an anhydrous aluminium zirconium phosphate with a novel three-dimensional framework","Acta Crystallographica Section C","2011","67","1","i4","i6","10.1107/S0108270110050535","","","0.71073","MoKα","","0.0295","0.0279","","","0.0665","0.0675","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017941","9.0999","0.0005","9.5912","0.0005","12.3272","0.0007","89.133","0.003","69.418","0.002","82.74","0.003","998.66","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,6-diamino-1<i>H</i>-purin-3-ium) di-μ-croconato- κ^3^<i>O<i>,<i>O<i>':<i>O<i>'';κ^3^<i>O<i>:<i>O<i>',<i>O<i>''- bis[tetraaqua(croconato-κ^2^<i>O<i>,<i>O<i>')neodymium(III)]","","- C30 H30 N12 Nd2 O28 -","- C30 H30 N12 Nd2 O28 -","- C30 H30 N12 Nd2 O28 -","1","0.5","MX3042","Atria, Ana María; Morel, Mauricio; Garland, Maria Teresa; Baggio, Ricardo","Bis(2,6-diamino-1<i>H</i>-purin-3-ium) di-μ-croconato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'';κ^3^<i>O</i>:<i>O</i>',<i>O</i>''-bis[tetraaqua(croconato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)]","Acta Crystallographica Section C","2011","67","1","m17","m21","10.1107/S0108270110052893","","","0.71073","MoKα","","0.0339","0.0311","","","0.0799","0.0818","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017942","9.6931","0.0009","16.8888","0.0016","16.4202","0.0018","90","","94.706","0.012","90","","2679","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one","","- C16 H14 F N O S -","- C16 H14 F N O S -","- C128 H112 F8 N8 O8 S8 -","8","2","SF3141","Gutiérrez, Alexander; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","3-Benzyl-2-(4-fluorophenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section C","2011","67","1","o10","o12","10.1107/S0108270110044550","","","0.71073","MoKα","","0.1238","0.0516","","","0.0966","0.1241","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017943","8.6971","0.0005","10.3972","0.0005","21.728","0.0015","90","","90","","90","","1964.8","0.2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-bis(hydroxymethyl)propane-1,3-diyl bis(thiocyanate)","","- C7 H10 N2 O2 S2 -","- C7 H10 N2 O2 S2 -","- C56 H80 N16 O16 S16 -","8","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.09","0.0397","","","0.0608","0.0691","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017944","6.1635","0.0003","19.6495","0.001","6.3889","0.0004","90","","96.617","0.005","90","","768.6","0.07","140","2","140","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2-bis(chloromethyl)propane-1,3-diol","","- C5 H10 Cl2 O2 -","- C5 H10 Cl2 O2 -","- C20 H40 Cl8 O8 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0299","0.0277","","","0.0743","0.0748","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017945","13.1287","0.001","6.0588","0.0005","12.5024","0.0012","90","","98.135","0.008","90","","984.49","0.15","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9,9-dimethyl-2,4,8,10-tetraoxa-3λ^4^-thiaspiro[5.5]undecan-3-one","","- C8 H14 O5 S -","- C8 H14 O5 S -","- C32 H56 O20 S4 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0419","0.0291","","","0.0766","0.0792","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017946","9.3934","0.0002","8.5696","0.0002","15.7918","0.0004","90","","104.38","0.002","90","","1231.38","0.05","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5,5-dimethenyl-2,2-dimethyl-1,3-dioxane bis(thiocyanate)","{[5-(cyanosulfanyl)-2,2-dimethyl-1,3-dioxan-5-yl]sulfanyl}formonitrile","","- C10 H14 N2 O2 S2 -","- C10 H14 N2 O2 S2 -","- C40 H56 N8 O8 S8 -","4","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.0422","0.0292","","","0.0746","0.0772","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017947","11.9079","0.0015","15.6452","0.0013","9.255","0.001","90","","91.727","0.011","90","","1723.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-[(1-acetyl-3-<i>tert</i>-butyl-1<i>H</i>-pyrazol-5-yl)amino]-3-nitrobenzoate","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","SK3396","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Methyl 4-[(1-acetyl-3-<i>tert</i>-butyl-1<i>H</i>-pyrazol-5-yl)amino]-3-nitrobenzoate","Acta Crystallographica Section C","2011","67","1","o26","o28","10.1107/S0108270110047955","","","0.71073","MoKα","","0.0725","0.049","","","0.1019","0.1116","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017948","10.108","0.002","21.824","0.004","10.393","0.002","90","","92.52","0.03","90","","2290.4","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C88 H144 N16 O16 -","8","2","SK3397","Nichol, Gary S.; Clegg, William","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition","Acta Crystallographica Section C","2011","67","1","o13","o17","10.1107/S0108270110049322","","","0.71073","MoKα","","0.0774","0.0578","","","0.1305","0.1401","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017949","22.839","0.006","5.0394","0.0013","18.802","0.005","90","","111.224","0.004","90","","2017.2","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-ethyl-5-methylhexanamide","","- C9 H19 N O -","- C9 H19 N O -","- C72 H152 N8 O8 -","8","1","SK3397","Nichol, Gary S.; Clegg, William","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition","Acta Crystallographica Section C","2011","67","1","o13","o17","10.1107/S0108270110049322","","","0.6933","synchrotron","","0.0697","0.0544","","","0.1467","0.1586","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017950","21.597","0.005","5.0469","0.0012","18.424","0.005","90","","111.529","0.003","90","","1868.1","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethylpentanamide","","- C8 H17 N O -","- C8 H17 N O -","- C64 H136 N8 O8 -","8","2","SK3397","Nichol, Gary S.; Clegg, William","1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition","Acta Crystallographica Section C","2011","67","1","o13","o17","10.1107/S0108270110049322","","","0.6933","synchrotron","","0.08","0.049","","","0.1221","0.1405","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017951","14.27366","0.00009","11.75678","0.00007","7.19753","0.00004","90","","90","","90","","1207.83","0.012","296","","296","","","","","","","","","4","C m c m","-C 2c 2","63","","distrontium dimagnesium pentadecaoxidotetraphosphate","","- Mg2.64 O15 P4 Sr2.36 -","- Mg2.643 O15 P4 Sr2.357 -","- Mg10.572 O60 P16 Sr9.428 -","4","0.25","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+<i>x~</i>Mg~3{-~<i>x</i>}P~4~O~15~ (<i>x</i> σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.0276","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017952","6.9443","0.0004","8.2861","0.0004","9.0438","0.0005","90","","113.816","0.003","90","","476.08","0.05","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimagnesium heptaoxidodiphosphate","","- Mg2 O7 P2 -","- Mg2 O7 P2 -","- Mg8 O28 P8 -","4","1","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+<i>x~</i>Mg~3{-~<i>x</i>}P~4~O~15~ (<i>x</i> σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.0469","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017953","7.594","0.003","8.282","0.008","5.071","0.004","90","","94.01","0.06","90","","318.2","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","trimagnesium ocyaoxidodiphosphate","","- Mg3 O8 P2 -","- Mg3 O8 P2 -","- Mg6 O16 P4 -","2","0.5","SQ3270","Hong, Jung-Hwa; Song, Seung-Wan; Hong, Seung-Tae","Strontium magnesium phosphate, Sr~2+<i>x~</i>Mg~3{-~<i>x</i>}P~4~O~15~ (<i>x</i> σim 0.36), from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","1","i1","i3","10.1107/S0108270110047967","powder diffraction","","1.5406","CuKα~1~","","0.049","","","","","","","","2.5","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017954","29.5249","0.0014","8.0969","0.0009","15.4717","0.0006","90","","98.635","0.004","90","","3656.7","0.5","291","","291","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diethyl 2,2'-[({[amino(pyrazin-2- yl)methylidene]hydrazinylidene}methylidene)bis(sulfanediyl)]diacetate","","- C14 H19 N5 O4 S2 -","- C14 H19 N5 O4 S2 -","- C112 H152 N40 O32 S16 -","8","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0362","0.0292","","","0.0892","0.0917","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017955","7.7213","0.0001","8.1004","0.0001","9.3331","0.0001","87.9959","0.0011","79.0802","0.0012","82.8402","0.001","568.667","0.012","290","","290","","","","","","","","","4","P -1","-P 1","2","","methyl 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazate","","- C8 H11 N5 S2 -","- C8 H11 N5 S2 -","- C16 H22 N10 S4 -","2","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0335","0.0319","","","0.0937","0.0945","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017956","7.2329","0.0001","7.9041","0.0001","14.0969","0.0002","105.717","0.001","91.368","0.001","93.863","0.001","773.274","0.019","290","","290","","","","","","","","","4","P -1","-P 1","2","","benzyl 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazate","","- C14 H15 N5 S2 -","- C14 H15 N5 S2 -","- C28 H30 N10 S4 -","2","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","1.54178","CuKα","","0.0367","0.0359","","","0.0974","0.0982","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017957","20.7274","0.0006","5.7456","0.0001","9.1455","0.0003","90","","90","","90","","1089.15","0.05","290","","290","","","","","","","","","3","P c a 21","P 2c -2ac","29","","<i>N</i>'-Anilinopyrazine-2-carboximidamide","","- C11 H11 N5 -","- C11 H11 N5 -","- C44 H44 N20 -","4","1","FG3209","Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters","Acta Crystallographica Section C","2011","67","1","o37","o42","10.1107/S0108270110049905","","","0.71073","MoKα","","0.0423","0.0295","","","0.0657","0.0681","","","","","","0.904","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017958","16.7686","0.0006","8.4646","0.0003","7.4464","0.0003","90","","99.093","0.001","90","","1043.66","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)]","","- C10 H8 Mn O6 -","- C10 H8 Mn O6 -","- C40 H32 Mn4 O24 -","4","0.5","GG3245","Böhle, Tony; Eissmann, Frank; Weber, Edwin; Mertens, Florian O. R. L.","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)] and its zinc(II) analogue: three-dimensional coordination polymers containing unusually coordinated metal centres","Acta Crystallographica Section C","2011","67","1","m5","m8","10.1107/S0108270110046950","","","0.71073","MoKα","","0.0197","0.0189","","","0.0514","0.0518","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017959","16.5936","0.0006","8.4438","0.0003","7.4838","0.0003","90","","97.649","0.002","90","","1039.25","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)zinc(II)]","","- C10 H8 O6 Zn -","- C10 H8 O6 Zn -","- C40 H32 O24 Zn4 -","4","0.5","GG3245","Böhle, Tony; Eissmann, Frank; Weber, Edwin; Mertens, Florian O. R. L.","Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)] and its zinc(II) analogue: three-dimensional coordination polymers containing unusually coordinated metal centres","Acta Crystallographica Section C","2011","67","1","m5","m8","10.1107/S0108270110046950","","","0.71073","MoKα","","0.0289","0.0222","","","0.0469","0.0487","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017960","8.779","0.0018","13.374","0.003","13.113","0.003","90","","101.99","0.03","90","","1506","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-bromido-bis[bromido(1-carboxymethyl-4-aza-1-azoniabicyclo[2.2.2]octane- κ<i>N</i>^4^)(nitrito-κ^2^<i>O</i>,<i>O</i>')cadmium(II)] dihydrate","","- C16 H34 Br4 Cd2 N6 O10 -","- C16 H34 Br4 Cd2 N6 O10 -","- C32 H68 Br8 Cd4 N12 O20 -","2","0.5","SQ3272","Cai, Ying","Mononuclear and dinuclear bromide‒nitrite cadmium(II) complexes with related 1,4-diazabicyclo[2.2.2]octane ligands","Acta Crystallographica Section C","2011","67","1","m13","m16","10.1107/S010827011005167X","","","0.71073","MoKα","","0.0612","0.0488","","","0.1119","0.1177","","","","","","1.073","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2017961","7.343","0.002","16.254","0.005","12.85","0.004","90","","99.505","0.005","90","","1512.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aquabromido(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane- κ<i>N</i>^4^)bis(nitrito-κ^2^<i>O</i>,<i>O</i>')cadmium(II) monohydrate","","- C8 H18 Br Cd N5 O6 -","- C8 H18 Br Cd N5 O6 -","- C32 H72 Br4 Cd4 N20 O24 -","4","1","SQ3272","Cai, Ying","Mononuclear and dinuclear bromide‒nitrite cadmium(II) complexes with related 1,4-diazabicyclo[2.2.2]octane ligands","Acta Crystallographica Section C","2011","67","1","m13","m16","10.1107/S010827011005167X","","","0.71073","MoKα","","0.0412","0.0352","","","0.1075","0.1232","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017962","9.0022","0.0002","11.2121","0.0004","13.8356","0.0004","90","","93.016","0.002","90","","1394.54","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1,2,4-trimethylpyridinium) hexa-μ-chlorido-tetrachloridotetracuprate(II)","","- C16 H24 Cl10 Cu4 N2 -","- C16 H24 Cl10 Cu4 N2 -","- C32 H48 Cl20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0489","0.0322","","","0.0705","0.0765","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017963","9.4742","0.0002","11.7845","0.0004","14.129","0.0004","90","","93.408","0.002","90","","1574.69","0.08","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1,2,4-trimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II)","","- C16 H24 Br10 Cu4 N2 -","- C16 H24 Br10 Cu4 N2 -","- C32 H48 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0718","0.0388","","","0.0817","0.0935","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017964","12.0358","0.0003","9.5125","0.0002","12.4133","0.0003","90","","105.756","0.001","90","","1367.81","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-methylpyridinium) hexa-μ~2~-bromido-tetrabromidotetracuprate(II)","","- C12 H16 Br10 Cu4 N2 -","- C12 H16 Br10 Cu4 N2 -","- C24 H32 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.1026","0.0428","","","0.0769","0.0911","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017965","6.3969","0.0001","11.8734","0.0002","12.2699","0.0003","107.693","0.001","100.607","0.001","100.888","0.001","842.33","0.03","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(trimethylphenylammonium) hexa-μ~2~-bromido-tetrabromidocuprate(II)","","- C18 H28 Br10 Cu4 N2 -","- C18 H28 Br10 Cu4 N2 -","- C18 H28 Br10 Cu4 N2 -","1","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0826","0.0453","","","0.0974","0.1128","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017966","6.363","0.0001","22.9814","0.0002","11.2713","0.0001","90","","91.205","0.001","90","","1647.85","0.03","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(3-chloro-1-methylpyridinium) octa-μ~2~-chlorido-tetrachloridopentacuprate(II)","","- C12 H14 Br12 Cl2 Cu5 N2 -","- C12 H14 Br12 Cl2 Cu5 N2 -","- C24 H28 Br24 Cl4 Cu10 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0658","0.038","","","0.0838","0.0947","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017967","7.2353","0.0001","10.7361","0.0002","12.8913","0.0002","90.985","0.001","105.006","0.001","100.374","0.001","949.27","0.03","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis(2-chloro-1-methylpyridinium) dodeca-μ~2~bromido-tetrabromidoheptacuprate(II)","","- C12 H14 Br16 Cl2 Cu7 N2 -","- C12 H13.004 Br16 Cl2 Cu7 N2 -","- C12 H13.004 Br16 Cl2 Cu7 N2 -","1","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0681","0.0382","","","0.0846","0.0955","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017968","9.5112","0.0004","12.3581","0.0005","12.4617","0.0006","90","","91.502","0.003","90","","1464.25","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(3,4-dimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II)","","- C14 H20 Br10 Cu4 N2 -","- C14 H20 Br10 Cu4 N2 -","- C28 H40 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0652","0.0463","","","0.1352","0.1503","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017969","9.7548","0.0005","12.5783","0.0008","12.2179","0.0005","90","","96.459","0.003","90","","1489.61","0.14","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2,3-dimethylpyridinium) hexa-μ-chlorido-tetrachloridotetracuprate(II)","","- C14 H20 Br10 Cu4 N2 -","- C14 H20 Br10 Cu4 N2 -","- C28 H40 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.1223","0.0497","","","0.0921","0.1131","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017970","4.037","0.0001","22.3375","0.0006","15.8508","0.0003","90","","96.095","0.002","90","","1421.29","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2,4-dimethylpyridinium) hexa-μ-bromido-tetrabromidotetracuprate(II)","","- C14 H20 Br10 Cu4 N2 -","- C14 H20 Br10 Cu4 N2 -","- C28 H40 Br20 Cu8 N4 -","2","0.5","SK3391","Kelley, Annette; Akkina, Subhash; Devarapally, Goutham K.; Nalla, Soujanya; Pasam, Divya; Madhabushi, Shravani; Bond, Marcus R.","Nine compounds containing high-nuclearity [Cu~<i>n~</i><i>X</i>~2<i>n~+2</i>]^2{-^} (<i>n</i> = 4, 5 or 7; <i>X</i> = Cl or Br) quasi-planar oligomers","Acta Crystallographica Section C","2011","67","1","m22","m34","10.1107/S0108270110049024","","","0.71073","MoKα","","0.0609","0.0447","","","0.1262","0.1376","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017971","9.084","0.004","26.311","0.01","2.8223","0.0011","90","","90","","90","","674.6","0.5","296","2","296","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Tetrasodium nonamanganese octadecaoxide","","- Mn9 Na4.32 O18 -","- Mn9 Na4.322 O18 -","- Mn18 Na8.644 O36 -","2","0.25","BI3006","Chu, Qingxin; Wang, Xiaofeng; Li, Qiliang; Liu, Xiaoyang","The tunnel manganese oxide Na~4.32~Mn~9~O~18~: a new Na^+^ site discovered by single-crystal X-ray diffraction","Acta Crystallographica Section C","2011","67","2","i10","i12","10.1107/S0108270110052856","","","0.71073","MoKα","","0.0441","0.0315","","","0.0632","0.0677","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017972","11.6765","0.001","12.4744","0.0008","26.024","0.002","90","","98.892","0.007","90","","3745","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5-<i>tert</i>-Butylporphyrinato)copper(II)","","- C24 H20 Cu N4 -","- C24 H20 Cu N4 -","- C192 H160 Cu8 N32 -","8","2","DN3156","Senge, Mathias O.","(5-<i>tert</i>-Butylporphyrinato)copper(II), a nonplanar porphyrin with only one sterically demanding <i>meso</i> residue","Acta Crystallographica Section C","2011","67","2","m39","m42","10.1107/S0108270111000904","","","0.71073","MoKα","","0.0677","0.0479","","","0.1159","0.1229","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017973","10.7679","0.0017","8.5489","0.0014","11.4313","0.0018","90","","95.297","0.002","90","","1047.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten","","- C8 H6 B F3 O4 W -","- C8 H6 B F3 O4 W -","- C32 H24 B4 F12 O16 W4 -","4","1","EG3068","Roll, Joachim; Tewes, Heiko; Castillo Soto, Eduardo; Oñate Rodríguez, Enrique","Tricarbonyl(η^5^-cyclopentadienyl)(trifluorohydroxyborato)tungsten","Acta Crystallographica Section C","2011","67","2","m43","m45","10.1107/S0108270111000631","","","0.71073","MoKα","","0.0234","0.0201","","","0.0425","0.0434","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017974","7.3326","0.0005","9.8832","0.0005","13.3922","0.0011","90","","90","","90","","970.53","0.11","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2,5-dioxo-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)benzoic acid","","- C11 H7 N O4 -","- C11 H7 N O4 -","- C44 H28 N4 O16 -","4","1","EM3036","Moreno-Fuquen, Rodolfo; Tenorio, Juan C.; Ellena, Javier; De Simone, Carlos A.; Ribeiro, Leandro","4-(2,5-Dioxo-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)benzoic acid: X-ray and DFT-calculated structure","Acta Crystallographica Section C","2011","67","2","o67","o70","10.1107/S0108270111002265","","","0.71073","MoKα","","0.084","0.049","","","0.109","0.128","","","","","","1.128","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017975","10.915","0.006","15.42","0.01","17.972","0.012","90","","115.945","0.002","90","","2720","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato- κ^2^<i>O</i>^5^,<i>O</i>^6^)bis[2-(2-pyridyl)-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^)manganese(II) monohydrate","","- C29 H22 Mn N8 O5 -","- C29 H22 Mn N8 O5 -","- C116 H88 Mn4 N32 O20 -","4","1","FG3213","Ma, Cheng-Bing; Chen, Hui; Hu, Ming-Qiang; Chen, Chang-Neng","(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^2^<i>O</i>^5^,<i>O</i>^6^)bis[2-(2-pyridyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]manganese(II) monohydrate","Acta Crystallographica Section C","2011","67","2","m59","m61","10.1107/S0108270111002782","","","0.71073","MoKα","","0.0907","0.0654","","","0.1623","0.1822","","","","","","1.086","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017976","19.098","0.004","6.7985","0.0014","12.251","0.003","90","","111.85","0.03","90","","1476.4","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[μ~3~-hydroxido-μ~6~-sulfato-μ~3~-(1,2,4-triazolato- κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)-dicadmium(II)]","","- C2 H3 Cd2 N3 O5 S -","- C2 H3 Cd2 N3 O5 S -","- C16 H24 Cd16 N24 O40 S8 -","8","1","FN3070","Liang, Qian; Pan, Tong-Hen; Huang, Chang-Cang","Poly[μ~3~-hydroxido-μ~6~-sulfato-μ~3~-(1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)-dicadmium(II)]: a cadmium‒triazolate coordination polymer with a pseudo-cubane-like tetranuclear cluster","Acta Crystallographica Section C","2011","67","2","m56","m58","10.1107/S0108270110052765","","","0.71073","MoKα","","0.0237","0.0228","","","0.0501","0.0506","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017977","17.0337","0.0006","18.0092","0.0005","7.355","0.0002","90","","109.651","0.002","90","","2124.84","0.11","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate","","- C6 H24 N14 O12 Zn -","- C6 H24 N14 O12 Zn -","- C24 H96 N56 O48 Zn4 -","4","0.5","FN3074","Smeets, Stef; Lutz, Martin","Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate at 110 and 250K: uniaxial negative thermal expansion","Acta Crystallographica Section C","2011","67","2","m50","m55","10.1107/S0108270111000023","","","0.71073","MoKα","","0.0261","0.0222","","","0.0573","0.0589","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017978","17.1082","0.0006","17.9456","0.0007","7.46654","0.00016","90","","109.701","0.002","90","","2158.17","0.13","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate","","- C6 H24 N14 O12 Zn -","- C6 H24 N14 O12 Zn -","- C24 H96 N56 O48 Zn4 -","4","0.5","FN3074","Smeets, Stef; Lutz, Martin","Hexakis(urea-κ<i>O</i>)zinc(II) dinitrate at 110 and 250K: uniaxial negative thermal expansion","Acta Crystallographica Section C","2011","67","2","m50","m55","10.1107/S0108270111000023","","","0.71073","MoKα","","0.0391","0.0287","","","0.0697","0.0747","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017979","9.6848","0.0005","10.5107","0.0005","20.1765","0.0013","90","","90","","90","","2053.8","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Propynyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-D-mannopyranoside","","- C17 H22 O10 -","- C17 H22 O10 -","- C68 H88 O40 -","4","1","GD3372","Al-Mughaid, Hussein; Robertson, Katherine N.; Werner-Zwanziger, Ulrike; Lumsden, Michael D.; Cameron, T. Stanley; Grindley, T. Bruce","2-Propynyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","2011","67","2","o60","o63","10.1107/S010827011005225X","","","0.7107","MoKα","","0.0411","0.0389","","","0.1104","0.1127","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017980","10.296","0.002","10.0793","0.0019","13.137","0.002","90","","96.646","0.014","90","","1354.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Phenylenebis(methylene) bis(9<i>H</i>-carbazole-9-carbodithioate)","","- C34 H24 N2 S4 -","- C34 H24 N2 S4 -","- C68 H48 N4 S8 -","2","0.5","GG3251","Zuluaga, Fabio; Grande, Carlos; Cobo, Justo; Glidewell, Christopher","1,4-Phenylenebis(methylene) bis(9<i>H</i>-carbazole-9-carbodithioate)","Acta Crystallographica Section C","2011","67","2","o77","o79","10.1107/S0108270110053102","","","0.71073","MoKα","","0.0822","0.0522","","","0.0898","0.0988","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017981","4.7347","0.0001","18.1877","0.0007","18.1068","0.0006","90","","93.594","0.002","90","","1556.17","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,13,23-triazahexacyclo[14.7.0.0^2,10^.0^4,9^.0^11,15^.0^17,22^]tricosa- 1(16),2(10),4,6,8,11(15),17(22),18,20-nonaene-12,14-dione","12,13-Dihydro-5<i>H</i>-indolo[2,3-<i>a</i>]pyrrolo[3,4-<i>c</i>]carbazole- 5,7(6<i>H</i>)-dione monohydrate","","- C20 H13 N3 O3 -","- C20 H13 N3 O3 -","- C80 H52 N12 O12 -","4","1","GT3028","Fernandes, José A.; Almeida Paz, Filipe A.; Marques, Joana; Marques, Maria P. M.; Braga, Susana S.","Arcyriaflavin A monohydrate","Acta Crystallographica Section C","2011","67","2","o57","o59","10.1107/S0108270110052741","","","0.71073","MoKα","","0.1123","0.0529","","","0.1186","0.1405","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017982","6.518","0.001","6.95","0.001","4.389","0.001","90","","90","","90","","198.82","0.06","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gadolinium ytterbium trifluoride","","- F3 Gd0.81 Yb0.19 -","- F3 Gd0.81 Yb0.19 -","- F12 Gd3.24 Yb0.76 -","4","0.5","KU3037","Vasyliev, Valentyn; Villora, Encarnacion G.; Nakamura, Masaru; Sato, Akira; Shimamura, Kiyoshi","Gadolinium ytterbium trifluoride, Gd~0.81~Yb~0.19~F~3~","Acta Crystallographica Section C","2011","67","2","i7","i9","10.1107/S0108270110049851","","","0.71073","MoKα","","0.0204","0.0197","","","0.0515","0.0519","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017983","7.7597","0.0016","8.4998","0.0017","10.641","0.002","70.98","0.03","87.9","0.03","70.32","0.03","622.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(μ-2-sulfonatobenzoato)bis[triaquagadolinium(III)]]- μ-oxalato]","","- C16 H20 Gd2 O20 S2 -","- C16 H20 Gd2 O20 S2 -","- C16 H20 Gd2 O20 S2 -","1","0.5","LG3047","Pan, Tong-Hen; Huang, Kun-Shan; Huang, Chong-En; Lai, Fu-Long; Huang, Chang-Cang","<i>catena</i>-Poly[[bis(μ-2-sulfonatobenzoato)bis[triaquagadolinium(III)]]-μ-oxalato]","Acta Crystallographica Section C","2011","67","2","m46","m49","10.1107/S0108270111001065","","","0.71073","MoKα","","0.0211","0.0209","","","0.0495","0.0497","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017984","12.4987","0.0019","6.6017","0.0006","11.3732","0.0018","90","","113.585","0.012","90","","860","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-Alaninium semioxalate monohydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","MX3041","Zakharov, Boris A.; Boldyreva, Elena V.","<small>DL</small>-Alaninium semi-oxalate monohydrate","Acta Crystallographica Section C","2011","67","2","o47","o51","10.1107/S0108270110053655","","","0.71073","MoKα","","0.0521","0.0371","","","0.0976","0.1041","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017985","7.16","0.0015","11.688","0.003","17.514","0.004","90","","94.535","0.003","90","","1461.1","0.6","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>R</i>,3<i>R</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0277","0.0268","","","0.071","0.0716","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017986","7.16","0.003","11.688","0.005","17.526","0.008","90","","94.57","0.007","90","","1462","1.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>S</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0329","0.0308","","","0.0735","0.0745","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017987","8.8218","0.0006","12.1304","0.0008","14.0031","0.0009","90","","90","","90","","1498.5","0.17","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>S</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0313","0.0297","","","0.0801","0.0813","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017988","8.8101","0.0006","12.1094","0.0008","13.9784","0.0009","90","","90","","90","","1491.29","0.17","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0304","0.0295","","","0.0821","0.0831","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017989","11.06","0.002","22.22","0.004","12.208","0.002","90","","95.87","0.03","90","","2984.4","0.9","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[diaquabis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(ethane-1,2- diol)-di-μ-sulfato-dicopper(II)]","","- C24 H32 Cu2 N4 O14 S2 -","- C24 H32 Cu2 N4 O14 S2 -","- C96 H128 Cu8 N16 O56 S8 -","4","0.5","SF3145","Zhong, Kai-Long; Chen, Li; Chen, Lin","Poly[diaquabis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(ethane-1,2-diol)di-μ-sulfato-dicopper(II)]","Acta Crystallographica Section C","2011","67","2","m62","m64","10.1107/S0108270110052558","","","0.71073","MoKα","","0.0556","0.0387","","","0.0864","0.0939","","","","","","1.102","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017990","8.1296","0.0015","22.187","0.003","11.152","0.003","90","","102.222","0.018","90","","1965.9","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(4-bromophenyl)-1-(5-<i>tert</i>-butyl-1<i>H</i>-pyrazol-3-yl)- 1<i>H</i>-benzimidazole-5-carboxylate","","- C22 H21 Br N4 O2 -","- C22 H21 Br N4 O2 -","- C88 H84 Br4 N16 O8 -","4","1","SK3398","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Methyl 2-(4-bromophenyl)-1-(5-<i>tert</i>-butyl-1<i>H</i>-pyrazol-3-yl)-1<i>H</i>-benzimidazole-5-carboxylate: a hydrogen-bonded chain of edge-fused centrosymmetric rings","Acta Crystallographica Section C","2011","67","2","o64","o66","10.1107/S0108270110052911","","","0.71073","MoKα","","0.0783","0.0414","","","0.0716","0.0825","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017991","10.7944","0.0002","13.5205","0.0003","14.0573","0.0003","90","","104.238","0.0013","90","","1988.58","0.07","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","benzyl 4-(3-chloro-2-fluorophenyl)-2-methyl-5-oxo-4,5,6,7-tetrahydro- 1<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carboxylate","","- C23 H19 Cl F N O3 -","- C23 H19 Cl F N O3 -","- C92 H76 Cl4 F4 N4 O12 -","4","1","SK3400","Linden, Anthony; Şafak, Cihat; Şimşek, Rahime; Gündüz, Miyase G.","Two 1,4-dihydropyridine derivatives with potential calcium-channel antagonist activity","Acta Crystallographica Section C","2011","67","2","o80","o84","10.1107/S0108270111003362","","","0.71073","MoKα","","0.0781","0.0475","","","0.1139","0.1299","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017992","11.3696","0.0002","9.2177","0.0002","21.9577","0.0003","90","","92.5683","0.0011","90","","2298.89","0.07","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-pyridylmethyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]-2,6,6-trimethyl-5- oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C26 H24 F4 N2 O3 -","- C26 H24 F4 N2 O3 -","- C104 H96 F16 N8 O12 -","4","1","SK3400","Linden, Anthony; Şafak, Cihat; Şimşek, Rahime; Gündüz, Miyase G.","Two 1,4-dihydropyridine derivatives with potential calcium-channel antagonist activity","Acta Crystallographica Section C","2011","67","2","o80","o84","10.1107/S0108270111003362","","","0.71073","MoKα","","0.0758","0.0489","","","0.1152","0.1331","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017993","4.8272","0.0017","14.194","0.005","18.883","0.007","90","","91.472","0.007","90","","1293.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-[(Ethane-1,2-diyldioxy)di-<i>o</i>-phenylene]bis(indoline-2,3-dione)","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","0.5","SQ3280","Fang, Chao; Ma, Jian-Ping; Wei, Sui; Dong, Yu-Bin","1,1'-[(Ethane-1,2-diyldioxy)di-<i>o</i>-phenylene]bis(indoline-2,3-dione) (<i>L</i>) and a novel [Ag~2~<i>L</i>~2~]^2+^ metallocycle based on coordination-driven Ag—O and Ag—π bonds","Acta Crystallographica Section C","2011","67","2","m35","m38","10.1107/S0108270110054697","","","0.71073","MoKα","","0.1097","0.0651","","","0.1409","0.1604","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017994","10.193","0.002","11.594","0.003","14.22","0.003","111.121","0.003","91.073","0.003","100.819","0.003","1532.9","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","bis{μ-1,1'-[(ethane-1,2-diyldioxy)di-<i>o</i>-phenylene]bis(indoline- 2,3-dione)}disilver(I) bis(hexafluoridoantimonate)","","- C64 H48 Ag2 F12 N4 O12 Sb2 -","- C64 H48 Ag2 F12 N4 O12 Sb2 -","- C64 H48 Ag2 F12 N4 O12 Sb2 -","1","0.5","SQ3280","Fang, Chao; Ma, Jian-Ping; Wei, Sui; Dong, Yu-Bin","1,1'-[(Ethane-1,2-diyldioxy)di-<i>o</i>-phenylene]bis(indoline-2,3-dione) (<i>L</i>) and a novel [Ag~2~<i>L</i>~2~]^2+^ metallocycle based on coordination-driven Ag—O and Ag—π bonds","Acta Crystallographica Section C","2011","67","2","m35","m38","10.1107/S0108270110054697","","","0.71073","MoKα","","0.0699","0.0525","","","0.1238","0.1342","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017995","9.4516","0.0007","12.5202","0.0012","7.502","0.0006","90","","101.559","0.004","90","","869.75","0.13","90","1","90","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinic acid hydrazide dihydrochloride","3-(azaniumylcarbamoyl)pyridinium dichloride","","- C6 H9 Cl2 N3 O -","- C6 H9 Cl2 N3 O -","- C24 H36 Cl8 N12 O4 -","4","1","UK3027","Kruszynski, Rafal","A structural and theoretical study of intermolecular interactions in nicotinohydrazide dihydrochloride","Acta Crystallographica Section C","2011","67","2","o52","o56","10.1107/S0108270110051644","","","0.71073","MoKα","","0.0253","0.0244","","","0.0644","0.0648","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017996","10.9848","0.0004","13.98","0.0004","13.9802","0.0004","105.649","0.0018","90.352","0.002","93.364","0.002","2063.22","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","ciprofloxacin‒2,2-difluoroethanol (2/3)","1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3- carboxylate‒2,2-difluoroethanol (2/3)","","- C40 H48 F8 N6 O9 -","- C40 H48 F8 N6 O9 -","- C80 H96 F16 N12 O18 -","2","1","BI3008","Fabbiani, Francesca P. A.; Arlin, Jean-Baptiste; Buth, Gernot; Dittrich, Birger; Florence, Alastair J.; Herbst-Irmer, Regine; Sowa, Heidrun","Intermolecular interactions, disorder and twinning in ciprofloxacin‒2,2-difluoroethanol (2/3) and ciprofloxacin‒water (3/14.5)","Acta Crystallographica Section C","2011","67","3","o120","o124","10.1107/S0108270111005488","","","0.7","synchrotron","","0.0812","0.0681","","","0.1907","0.2019","","","","","","1.164","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017997","13.876","0.0012","15.876","0.0013","16.528","0.002","115.755","0.007","103.61","0.007","102.325","0.005","2972.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ciprofloxacin‒water (3/14.5)","1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3- carboxylate‒water (3/14.5)","","- C51 H83 F3 N9 O23.5 -","- C51 H69 F3 N9 O23.5 -","- C102 H138 F6 N18 O47 -","2","1","BI3008","Fabbiani, Francesca P. A.; Arlin, Jean-Baptiste; Buth, Gernot; Dittrich, Birger; Florence, Alastair J.; Herbst-Irmer, Regine; Sowa, Heidrun","Intermolecular interactions, disorder and twinning in ciprofloxacin‒2,2-difluoroethanol (2/3) and ciprofloxacin‒water (3/14.5)","Acta Crystallographica Section C","2011","67","3","o120","o124","10.1107/S0108270111005488","","","0.71073","MoKα","","0.057","0.0425","","","0.1119","0.1221","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017998","6.3823","0.0007","9.0629","0.0005","19.5457","0.0013","90","","90","","90","","1130.57","0.16","243","2","243","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-propylammonium benzoate","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0612","","","","0.1805","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017999","30.97","0.002","5.8832","0.0004","7.8239","0.0005","90","","99.825","0.002","90","","1404.63","0.16","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","benzylammonium (<i>R</i>)-2-phenylpropyl-1-carboxylate","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0352","","","","0.0861","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018000","8.8979","0.0009","12.0013","0.0008","16.0498","0.0015","100.213","0.005","103.102","0.003","90.652","0.005","1640.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(<i>RS</i>)-1-phenylethylammonium naphthalene-1-carboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0502","","","","0.1347","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018001","12.3249","0.0011","6.0804","0.0006","24.7669","0.0017","90","","95.526","0.005","90","","1847.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","benzylammonium benzoate‒benzoic acid (1/1)","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","0.1166","0.0445","","","0.0917","0.114","","","","","","0.964","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018002","15.3307","0.001","6.3703","0.0003","17.9989","0.0011","90","","114.199","0.002","90","","1603.33","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclopropylammonium benzoate‒benzoic acid (1/1)","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0444","","","","0.11","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018003","10.2478","0.0004","9.6134","0.0004","23.8354","0.0009","90","","90","","90","","2348.17","0.16","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","bis(cyclopropylammonium) <i>ea</i>-<i>cis</i>-cyclohexane-1,4-dicarboxylate‒ <i>ee</i>-<i>trans</i>-cyclohexane-1,4-dicarboxylic acid (1/1)","","- C22 H38 N2 O8 -","- C22 H38 N2 O8 -","- C88 H152 N8 O32 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0353","","","","0.094","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018004","6.7292","0.0016","6.8032","0.0016","19.193","0.005","89.875","0.004","86.747","0.005","84.726","0.004","873.5","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Cytosinium zoledronate trihydrate","4-amino-2-oxo- 2,3-dihydropyrimidin-1-ium 1-hydroxy-2-(1<i>H</i>,3<i>H</i>-imidazol-3-ium-1-yl)ethylidenediphosphonate trihydrate","","- C9 H21 N5 O11 P2 -","- C9 H21 N5 O11 P2 -","- C18 H42 N10 O22 P4 -","2","1","DN3157","Sridhar, Balasubramanian; Ravikumar, Krishnan","Multiple hydrogen bonds in cytosinium zoledronate trihydrate","Acta Crystallographica Section C","2011","67","3","o115","o119","10.1107/S0108270111005191","","","0.71073","MoKα","","0.0649","0.0599","","","0.1398","0.1428","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018005","8.8428","0.0003","11.5331","0.0004","6.0539","0.0002","90","","98.712","0.002","90","","610.28","0.04","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper(II) manganese(II) orthophosphate","","- Cu0.5 Mn2.5 O8 P2 -","- Cu0.5 Mn2.5 O8 P2 -","- Cu2 Mn10 O32 P8 -","4","1","FA3246","Bond, Andrew D.; Foghmoes, Søren P. V.; Warner, Terence E.","Copper(II) manganese(II) orthophosphate, Cu~0.5~Mn~2.5~(PO~4~)~2~","Acta Crystallographica Section C","2011","67","3","i21","i23","10.1107/S0108270110054156","","","0.71073","MoKα","","0.0202","0.0189","","","0.0493","0.0497","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018006","16.7421","0.0016","9.7941","0.0008","8.8898","0.0007","90","","93.69","0.02","90","","1454.7","0.2","200","2","200.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cyclopentanone","cyclopentan-1-one","","- C5 H8 O -","- C5 H8 O -","- C60 H96 O12 -","12","1.5","FG3210","Yufit, Dmitry S.; Howard, Judith A. K.","Cyclopentanone and cyclobutanone","Acta Crystallographica Section C","2011","67","3","o104","o106","10.1107/S0108270111004069","","","0.71073","MoKα","","0.0442","0.0348","","","0.0917","0.099","","","","","","1.025","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018007","15.5022","0.0016","9.0662","0.0009","8.6531","0.0007","90","","85.83","0.03","90","","1212.9","0.2","200","2","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cyclobutanone","cyclobutan-1-one","","- C4 H6 O -","- C4 H6 O -","- C48 H72 O12 -","12","1.5","FG3210","Yufit, Dmitry S.; Howard, Judith A. K.","Cyclopentanone and cyclobutanone","Acta Crystallographica Section C","2011","67","3","o104","o106","10.1107/S0108270111004069","","","0.71073","MoKα","","0.0482","0.0389","","","0.1112","0.1206","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018008","9.4415","0.0004","9.4415","0.0004","9.1937","0.0008","90","","90","","120","","709.75","0.07","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ternary tetralanthanum trimagnesium tricontazinc","","- La4.27 Mg2.89 Zn30 -","- La4.274 Mg2.8908 Zn30 -","- La4.274 Mg2.8908 Zn30 -","1","0.0416667","FN3072","Pavlyuk, Volodymyr; Rozycka-Sokolowska, Ewa; Marciniak, Bernard","La~4.27~Mg~2.89~Zn~30~, a new structure type with strong positional disorder","Acta Crystallographica Section C","2011","67","3","i13","i16","10.1107/S0108270111002137","","","0.71073","MoKα","","0.0144","0.0132","","","0.048","0.0481","","","","","","1.123","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018009","7.6785","0.0011","24.523","0.003","6.9265","0.001","90","","90","","90","","1304.3","0.3","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","trilanthanum pentacopper heptaselenide","","- Cu4.88 La3 Se7 -","- Cu4.878 La3 Se7 -","- Cu19.512 La12 Se28 -","4","0.5","FN3073","Gulay, L. D.; Daszkiewicz, M.; Strok, O. M.; Pietraszko, A.","Disordered La~3~Cu~4.88~Se~7~","Acta Crystallographica Section C","2011","67","3","i24","i26","10.1107/S0108270111005889","","","0.71073","MoKα","","0.098","0.0407","","","0.0417","0.0514","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018010","19.6476","0.0012","5.2979","0.0003","26.3354","0.0016","90","","106.865","0.003","90","","2623.4","0.3","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","1,<i>N</i>^6^-Etheno-2'-deoxytubercidin hemihydrate","7-(2-deoxy-β-D-<i>erythro</i>-pentofuranosyl)-7<i>H</i>-\ imidazo[1,2-<i>c</i>]pyrrolo[2,3-<i>d</i>]pyrimidine hemihydrate (1,<i>N</i>^6^-etheno-2'-deoxytubercidin hemihydrate","","- C26 H30 N8 O7 -","- C26 H30 N8 O7 -","- C104 H120 N32 O28 -","4","1","GD3377","Seela, Frank; Ding, Ping; Leonard, Peter; Eickmeier, Henning; Reuter, Hans","1,<i>N</i>^6^-Etheno-2'-deoxytubercidin hemihydrate","Acta Crystallographica Section C","2011","67","3","o111","o114","10.1107/S0108270111005087","","","0.71073","MoKα","","0.0414","0.0386","","","0.1039","0.1059","","","","","","1.115","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018011","9.3772","0.0003","13.1249","0.0003","15.9198","0.0005","90","","103.085","0.003","90","","1908.45","0.1","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[tetra-μ~3~-acetato-hexa-μ~2~-acetato-diaqua-μ~2~-oxalato- tetrapraseodymium(III)] dihydrate]","","- C22 H38 O28 Pr4 -","- C22 H38 O28 Pr4 -","- C44 H76 O56 Pr8 -","2","0.5","GD3378","Gutkowski, Karin; Freire, Eleonora; Baggio, Ricardo","Poly[[tetra-μ~3~-acetato-hexa-μ~2~-acetato-diaqua-μ~2~-oxalato-tetrapraseodymium(III)] dihydrate]","Acta Crystallographica Section C","2011","67","3","m77","m80","10.1107/S0108270111005403","","","0.71073","MoKα","","0.0302","0.0237","","","0.0548","0.0562","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018012","7.0045","0.0014","8.487","0.002","10.057","0.0017","81.1","0.02","86.17","0.02","75.25","0.03","571","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[μ-hydroxido-μ~7~-(4-phosphonatobenzenesulfonato)-ditin(II)]","","- C6 H5 O7 P S Sn2 -","- C6 H5 O7 P S Sn2 -","- C12 H10 O14 P2 S2 Sn4 -","2","1","JZ3200","Maniam, Palanikumar; Stock, Norbert","A three-dimensional tin(II) phosphonatobenzenesulfonate with Sn~4~O~12~ clusters","Acta Crystallographica Section C","2011","67","3","m73","m76","10.1107/S0108270111005105","","","0.71073","MoKα","","0.0322","0.0258","","","0.0683","0.0705","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018013","10.185","0.008","14.86","0.008","25.61","0.009","90","","90.87","0.02","90","","3876","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","panitite","sodium calcium magnesium tetrakis(phosphate)","","- Ca1.5 Mg12.5 Na8 O48 P12 -","- Ca1.5 Mg12.5 Na8 O48 P12 -","- Ca6 Mg50 Na32 O192 P48 -","4","1","KU3038","Jerbi, Hasna; Hidouri, Mourad; Rzeigui, Mohamed; Ben Amara, Mongi","Structure and ^31^P NMR spectroscopy of a new phosphate, Na~8~Ca~1.5~Mg~12.5~(PO~4~)~12~","Acta Crystallographica Section C","2011","67","3","i17","i20","10.1107/S0108270110054521","","","0.71073","MoKα","","0.0702","0.0508","","","0.1263","0.1328","","","","","","1.044","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018014","8.4023","0.0014","9.4893","0.0015","15.21","0.003","87.02","0.004","83.192","0.004","77.714","0.004","1176.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-benzyl-2-[(7-hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'- isobenzofuran]-8-yl)methylidene]hydrazinecarbothioamide","1-benzyl-3-({7'-hydroxy-3,3-dimethylspiro[2-benzofuran-1,2'-chromene]-8'- ylmethylidene}amino)thiourea","","- C27 H25 N3 O3 S -","- C27 H25 N3 O3 S -","- C54 H50 N6 O6 S2 -","2","1","LG3049","Bulanov, Antony; Shcherbakov, Igor N.; Popov, Leonid D.; Shasheva, E. Y.; Belikov, P. A.; Starikova, Zoya A.","Novel hydrazone derivatives of 7-hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'-isobenzofuran]-8-carbaldehyde","Acta Crystallographica Section C","2011","67","3","o85","o88","10.1107/S0108270111002836","","","0.71073","MoKα","","0.1334","0.0592","","","0.1202","0.1391","","","","","","1.154","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018015","8.591","0.002","17.272","0.005","17.569","0.005","90","","93.265","0.005","90","","2602.7","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>'-[(7-Hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'- isobenzofuran]-8-yl)methylidene]-4-methylbenzohydrazide acetone monosolvate","<i>N</i>'-{7'-hydroxy-3,3-dimethyl-3<i>H</i>-spiro[2-benzofuran-1,2'- chromene]-8'-ylmethylidene}-4-methylbenzohydrazide acetone monosolvate","","- C30 H30 N2 O5 -","- C30 H30 N2 O5 -","- C120 H120 N8 O20 -","4","1","LG3049","Bulanov, Antony; Shcherbakov, Igor N.; Popov, Leonid D.; Shasheva, E. Y.; Belikov, P. A.; Starikova, Zoya A.","Novel hydrazone derivatives of 7-hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'-isobenzofuran]-8-carbaldehyde","Acta Crystallographica Section C","2011","67","3","o85","o88","10.1107/S0108270111002836","","","0.71073","MoKα","","0.1015","0.0484","","","0.0807","0.0959","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018016","8.9276","0.0003","11.3625","0.0004","16.5006","0.0006","90","","94.456","0.001","90","","1668.76","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-Geodin","(2<i>R</i>)-methyl 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxospiro[benzofuran-2,1'- cyclohexa-2',5'-diene]-2'-carboxylate","","- C17 H12 Cl2 O7 -","- C17 H12 Cl2 O7 -","- C68 H48 Cl8 O28 -","4","2","LG3050","Rønnest, Mads H.; Nielsen, Morten T.; Leber, Blanka; Mortensen, Uffe H.; Krämer, Alwin; Clausen, Mads H.; Larsen, Thomas O.; Harris, Pernille","(+)-Geodin from <i>Aspergillus terreus</i>","Acta Crystallographica Section C","2011","67","3","o125","o128","10.1107/S0108270111005816","","","0.71073","MoKα","","0.0587","0.0527","","","0.1381","0.1454","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018017","9.199","0.0003","13.9977","0.0006","17.9153","0.0007","100.962","0.002","97.628","0.002","105.265","0.002","2143.78","0.15","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","4-Aminopyridinium 2-(anthracen-9-yl)-3-oxo-3<i>H</i>-inden-1-olate monohydrate","","- C56 H42 N4 O5 -","- C56 H42 N4 O5 -","- C112 H84 N8 O10 -","2","1","LN3147","Gainsford, Graeme J.; Ashraf, Mohamed; Bhuiyan, M. Delower H.; Kay, Andrew J.","4-Aminopyridinium 2-(anthracen-9-yl)-3-oxo-3<i>H</i>-inden-1-olate monohydrate","Acta Crystallographica Section C","2011","67","3","o107","o110","10.1107/S0108270111004951","","","0.71073","MoKα","","0.0509","0.0443","","","0.0941","0.0974","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018018","11.4071","0.0014","6.475","0.0008","16.961","0.002","90","","101.707","0.002","90","","1226.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","TIQdiphenylmethoxy","(1<i>R</i>,3<i>S</i>)-6,7-dimethoxy-3-(methoxydiphenylmethyl)-1-phenyl- 1,2,3,4-tetrahydroisoquinoline","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","SF3143","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Optically active diaryl tetrahydroisoquinoline derivatives","Acta Crystallographica Section C","2011","67","3","o100","o103","10.1107/S0108270110053357","","","0.71073","MoKα","","0.0528","0.0429","","","0.1025","0.1084","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018019","11.045","0.01","17.008","0.015","18.489","0.015","90","","105.287","0.015","90","","3350","5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-BenzylTIQdiphenyltrimethylsilyl","(1<i>R</i>,3<i>S</i>)-2-benzyl-3-[diphenyl(trimethylsiloxy)methyl]- 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C40 H43 N O3 Si -","- C40 H43 N O3 Si -","- C160 H172 N4 O12 Si4 -","4","2","SF3143","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Optically active diaryl tetrahydroisoquinoline derivatives","Acta Crystallographica Section C","2011","67","3","o100","o103","10.1107/S0108270110053357","","","0.71073","MoKα","","0.1025","0.0565","","","0.1072","0.1241","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018020","22.271","0.005","18.97","0.004","15.61","0.003","90","","132.79","0.03","90","","4840","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[<i>P</i>,<i>P</i>-di-<i>tert</i>-butyl-<i>N</i>-(di-<i>tert</i>- butylphosphorothioyl)phosphinimidothioato-κ<i>S</i>]sulfur(II) toluene solvate","5,13-dibutyl-7,7,11,11-tetramethyl-8,9,10-trithia-6,12-diaza-5λ^5^,7λ^5^- diphospha-11λ^5^-phospha-13λ^5^-phosphaheptadeca-6,11-diene-5,13-dithione toluene solvate","","- C39 H80 N2 P4 S5 -","- C39 H80 N2 P4 S5 -","- C156 H320 N8 P16 S20 -","4","0.5","SF3147","Ritch, Jamie S.; Chivers, Tristram","A sulfur(II) complex of a dithioimidodiphosphinate","Acta Crystallographica Section C","2011","67","3","o89","o91","10.1107/S0108270111003064","","","0.71073","MoKα","","0.1099","0.0517","","","0.1008","0.1217","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018021","7.2966","0.0015","11.184","0.002","12.004","0.002","112.99","0.03","90.67","0.03","97.44","0.03","892.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexaaquacobalt(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6- dicarboxylato)bismuthate(III)] dihydrate","","- C28 H28 Bi2 Co N4 O24 -","- C28 H28 Bi2 Co N4 O24 -","- C28 H28 Bi2 Co N4 O24 -","1","0.5","SQ3274","Stavila, Vitalie; Bulimestru, Ion; Gulea, Aurelian; Colson, Adam C.; Whitmire, Kenton H.","Hexaaquacobalt(II) and hexaaquanickel(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6-dicarboxylato)bismuthate(III)] dihydrate","Acta Crystallographica Section C","2011","67","3","m65","m68","10.1107/S0108270110053497","","","0.71073","MoKα","","0.0268","0.0244","","","0.062","0.0634","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018022","7.2615","0.0015","11.21","0.002","12.014","0.002","112.96","0.03","90.79","0.03","97.33","0.03","891","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexaaquacobalt(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6- dicarboxylato)nickelate(III)] dihydrate","","- C28 H28 Bi2 N4 Ni O24 -","- C28 H28 Bi2 N4 Ni O24 -","- C28 H28 Bi2 N4 Ni O24 -","1","0.5","SQ3274","Stavila, Vitalie; Bulimestru, Ion; Gulea, Aurelian; Colson, Adam C.; Whitmire, Kenton H.","Hexaaquacobalt(II) and hexaaquanickel(II) bis(μ-pyridine-2,6-dicarboxylato)bis[(pyridine-2,6-dicarboxylato)bismuthate(III)] dihydrate","Acta Crystallographica Section C","2011","67","3","m65","m68","10.1107/S0108270110053497","","","0.71073","MoKα","","0.0263","0.0212","","","0.0477","0.0502","","","","","","1.055","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018023","14.163","0.0005","17.5777","0.0006","11.2915","0.0004","90","","104.595","0.002","90","","2720.34","0.17","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","hemi(4,4'-bipyridinium) tris(5-chlorothiophene-2-carboxylato)dioxidouranate(VI) monohydrate","","- C40 H26 Cl6 N2 O18 S6 U2 -","- C40 H26 Cl6 N2 O18 S6 U2 -","- C80 H52 Cl12 N4 O36 S12 U4 -","2","0.5","SQ3279","Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas","Supramolecular architectures of two novel organic‒inorganic hybrid materials containing identical monomeric uranyl units","Acta Crystallographica Section C","2011","67","3","m69","m72","10.1107/S0108270111004227","","","0.71073","MoKα","","0.0927","0.0373","","","0.0713","0.087","","","","","","0.994","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2018024","14.5189","0.0002","18.1169","0.0003","11.1399","0.0002","90","","97.123","0.001","90","","2907.6","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","hemi[4,4'-(ethane-1,2-diyl)dipyridinium]tris(5-chlorothiophene-2-carboxylato)dioxidouranate(VI) monohydrate","","- C42 H30 Cl6 N2 O18 S6 U2 -","- C42 H30 Cl6 N2 O18 S6 U2 -","- C84 H60 Cl12 N4 O36 S12 U4 -","2","0.5","SQ3279","Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas","Supramolecular architectures of two novel organic‒inorganic hybrid materials containing identical monomeric uranyl units","Acta Crystallographica Section C","2011","67","3","m69","m72","10.1107/S0108270111004227","","","0.71073","MoKα","","0.0801","0.0399","","","0.0854","0.0984","","","","","","1.007","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2018025","11.4692","0.0005","11.8976","0.0005","15.1818","0.0007","92.261","0.003","109.043","0.003","112.911","0.003","1770.51","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","(Aqua-2κ<i>O</i>)bis(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>'){μ-<i>N</i>- [3-(dimethylamino)propyl]-<i>N</i>'-(2-oxidophenyl)oxamidato(3-)- 1:2κ^2^<i>O</i>,<i>O</i>':κ^4^<i>O</i>'',<i>N</i>,<i>N</i>',<i>N</i>''} copper(II)nickel(II) perchlorate","","- C33 H34 Cl Cu N7 Ni O8 -","- C33 H34 Cl Cu N7 Ni O8 -","- C66 H68 Cl2 Cu2 N14 Ni2 O16 -","2","1","BG3135","Yue, Xi-Teng; Nie, Jin-Ju; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","(Aqua-2κ<i>O</i>)bis(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>'){μ-<i>N</i>-[3-(dimethylamino)propyl]-<i>N</i>'-(2-oxidophenyl)oxamidato(3{-})-1:2κ^2^<i>O</i>,<i>O</i>':κ^4^<i>O</i>'',<i>N</i>,<i>N</i>',<i>N</i>''}copper(II)nickel(II) perchlorate","Acta Crystallographica Section C","2011","67","4","m115","m118","10.1107/S0108270111008705","","","0.71073","MoKα","","0.0992","0.0491","","","0.1104","0.131","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018026","9.934","0.002","10.069","0.002","11.627","0.002","68.146","0.003","88.758","0.003","62.741","0.003","943.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-2-{5-[(pyridin-4-ylmethyl)sulfanyl]-1,3,4-oxadiazol- 2-yl}phenolato)bis[(acetylacetonato)copper(II)]","","- C38 H34 Cu2 N6 O8 S2 -","- C38 H34 Cu2 N6 O8 S2 -","- C38 H34 Cu2 N6 O8 S2 -","1","0.5","BM3100","Xiao, Jing; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Bis(μ-2-{5-[(pyridin-4-ylmethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}phenolato)bis[(acetylacetonato)copper(II)]: a novel binuclear metallocycle","Acta Crystallographica Section C","2011","67","4","m90","m92","10.1107/S0108270111006640","","","0.71073","MoKα","","0.0601","0.0488","","","0.1161","0.1238","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018027","14.2694","0.0008","16.5639","0.0008","7.2237","0.0004","90","","90","","90","","1707.37","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate","","- C18 H20 O10 -","- C18 H20 O10 -","- C72 H80 O40 -","4","0.5","EG3069","Thébault, Frédéric; Öhrström, Lars; Haukka, Matti","2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate: a new form of an important starting material for supramolecular chemistry and covalent organic frameworks","Acta Crystallographica Section C","2011","67","4","o143","o145","10.1107/S0108270111002988","","","0.71073","MoKα","","0.1028","0.0495","","","0.1075","0.1298","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018028","17.45","0.01","15.48","0.008","12.636","0.007","90","","118.545","0.007","90","","2998","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[(μ~2~-benzene-1,4-dicarboxylato){μ~2~-1,2-bis[2-(1<i>H</i>-1,3- imidazol-1-ylmethyl)phenoxy]ethane}cadmium(II)] dihydrate]","","- C30 H30 Cd N4 O8 -","- C30 H30 Cd N4 O8 -","- C120 H120 Cd4 N16 O32 -","4","0.5","EM3039","Yuan, Ning-Ning; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Two threefold interpenetrated two-dimensional frameworks based on a flexible imidazole-containing ligand and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2011","67","4","m119","m122","10.1107/S0108270111009383","","","0.71073","MoKα","","0.0628","0.0397","","","0.0876","0.097","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018029","17.612","0.003","14.896","0.003","12.711","0.003","90","","119.724","0.003","90","","2895.9","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[(μ~2~-benzene-1,4-dicarboxylato){μ~2~-1,2-bis[2-(1<i>H</i>-1,3- imidazol-1-ylmethyl)phenoxy]ethane}cobalt(II)] dihydrate]","","- C30 H30 Co N4 O8 -","- C30 H30 Co N4 O8 -","- C120 H120 Co4 N16 O32 -","4","0.5","EM3039","Yuan, Ning-Ning; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Two threefold interpenetrated two-dimensional frameworks based on a flexible imidazole-containing ligand and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2011","67","4","m119","m122","10.1107/S0108270111009383","","","0.71073","MoKα","","0.0748","0.0523","","","0.1175","0.1271","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018030","4.6886","0.0001","14.4501","0.0003","34.788","0.0007","90","","90","","90","","2356.91","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-acetamido-2-deoxy-β-D-glucopyranoside dihydrate","","- C9 H19 N O7 -","- C9 H19 N O7 -","- C72 H152 N8 O56 -","8","2","FA3249","Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2011","67","4","o146","o150","10.1107/S0108270111009061","","","1.54178","CuKα","","0.0525","0.0425","","","0.1045","0.1105","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018031","4.5374","0.0005","15.8837","0.0016","6.8993","0.0007","90","","100.185","0.004","90","","489.4","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-formamido-2-deoxy-β-D-glucopyranoside","","- C8 H15 N O6 -","- C8 H15 N O6 -","- C16 H30 N2 O12 -","2","1","FA3249","Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2011","67","4","o146","o150","10.1107/S0108270111009061","","","1.54178","CuKα","","0.0271","0.0271","","","0.0703","0.0703","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018032","6.2597","0.0006","10.482","0.0011","6.4281","0.0006","90","","98.134","0.004","90","","417.53","0.07","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-dibromo-2,5-dimethylbenzene","","- C8 H8 Br2 -","- C8 H8 Br2 -","- C16 H16 Br4 -","2","0.5","GD3380","Jones, Peter G.; Kuś, Piotr","A new polymorph of 1,4-dibromo-2,5-dimethylbenzene: H···Br and Br···π <i>versus</i> Br···Br interactions","Acta Crystallographica Section C","2011","67","4","o131","o133","10.1107/S0108270111008742","","","0.71073","MoKα","","0.0198","0.0187","","","0.0504","0.0508","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018033","7.7841","0.0002","16.3043","0.0004","18.2533","0.0004","90","","93.884","0.001","90","","2311.28","0.1","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[4'-(4-bromophenyl)-2,2':6',2''- terpyridine]chlorido(trifluoromethanesulfonato)copper(II)","","- C22 H14 Br Cl Cu F3 N3 O3 S -","- C22 H14 Br Cl Cu F3 N3 O3 S -","- C88 H56 Br4 Cl4 Cu4 F12 N12 O12 S4 -","4","1","GG3247","Chenneberg, Ludwig; Ferreira, Janaina G.; Hanan, Garry S.","Supramolecular interactions in a copper(II) 4'-(4-bromophenyl)-2,2':6',2''-terpyridine complex","Acta Crystallographica Section C","2011","67","4","m81","m84","10.1107/S0108270111004641","","","1.54178","CuKα","","0.0276","0.0256","","","0.0719","0.0731","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018034","9.7061","0.0015","17.855","0.003","10.4555","0.0016","90","","90","","90","","1812","0.5","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","<i>tert</i>-butylarsenium(V) tri-μ-chlorido-bis[trichloridotitanium(IV)]","","- C4 H12 As Cl9 Ti2 -","- C4 H12 As Cl9 Ti2 -","- C16 H48 As4 Cl36 Ti8 -","4","0.5","GG3254","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands","Acta Crystallographica Section C","2011","67","4","m96","m99","10.1107/S0108270111006639","","","0.71073","MoKα","","0.0638","0.0407","","","0.0766","0.0809","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018035","10.4991","0.0002","10.7921","0.0003","21.5971","0.0006","81.21","0.001","83.017","0.002","67.448","0.001","2228.12","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","bis[bromidotriphenylarsenium(V)] di-μ-bromido-μ-oxido-bis[tribromidotitanium(IV)]","","- C36 H30 As2 Br10 O Ti2 -","- C36 H30 As2 Br10 O Ti2 -","- C72 H60 As4 Br20 O2 Ti4 -","2","1","GG3254","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands","Acta Crystallographica Section C","2011","67","4","m96","m99","10.1107/S0108270111006639","","","0.71073","MoKα","","0.0788","0.05","","","0.0896","0.1011","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018036","5.0936","0.0008","9.832","0.0013","12.8114","0.0014","73.952","0.001","78.679","0.001","83.706","0.002","603.55","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[hexaaquamagnesium(II) [bis(μ~3~-5-nitro-2-oxidoisophthalato)dicopper(II)] dihydrate]","","- C16 H20 Cu2 Mg N2 O22 -","- C16 H20 Cu2 Mg N2 O22 -","- C16 H20 Cu2 Mg N2 O22 -","1","0.5","GT3029","Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; Ma, De-Yun","<i>catena</i>-Poly[hexaaquamagnesium(II) [bis(μ~3~-5-nitro-2-oxidoisophthalato)dicopper(II)] dihydrate]","Acta Crystallographica Section C","2011","67","4","m105","m107","10.1107/S0108270111008869","","","0.71073","MoKα","","0.0475","0.0411","","","0.1056","0.1113","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018037","6.8506","0.0001","10.521","0.001","12.6995","0.0002","90","","98.773","0.002","90","","904.61","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaquadi-μ~6~-oxalato-μ~5~-oxalato-chromium(III)rubidium(I)]","","- C4 H4 Cr O10 Rb -","- C4 H4 Cr O10 Rb -","- C16 H16 Cr4 O40 Rb4 -","4","1","JZ3199","Kherfi, Hamza; Hamadène, Malika; Guehria-Laïdoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude","Poly[diaquadi-μ~6~-oxalato-μ~5~-oxalato-chromium(III)rubidium(I)]: a new supramolecular isomer","Acta Crystallographica Section C","2011","67","4","m85","m89","10.1107/S0108270111005646","","","0.71073","MoKα","","0.0198","0.0163","","","0.0432","0.0438","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018038","11.6024","0.0006","14.0371","0.0007","17.202","0.0009","90","","126.97","0.001","90","","2238.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ~2~-acetato-diacetatodi-μ~3~-hydroxido-tetrakis[piperidinecopper(II)] dihydrate","","- C32 H68 Cu4 N4 O16 -","- C32 H68 Cu4 N4 O16 -","- C64 H136 Cu8 N8 O32 -","2","0.5","JZ3201","Klein, Johannes E. M. N.; Thatcher, Robert J.; Whitwood, Adrian C.; Taylor, Richard J. K.","Tetra-μ~2~-acetato-diacetatodi-μ~3~-hydroxido-tetrakis[piperidinecopper(II)] dihydrate","Acta Crystallographica Section C","2011","67","4","m108","m110","10.1107/S0108270111007918","","","0.71073","MoKα","","0.0269","0.0239","","","0.0652","0.0671","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018039","18.604","0.004","5.5723","0.0006","11.27","0.002","90","","124.192","0.013","90","","966.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","L-cysteinium semioxalate","L-cysteinium semioxalate","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C20 H36 N4 O24 S4 -","4","1","KU3041","Minkov, Vasily S.; Boldyreva, Elena V.","<small>L</small>-Cysteinium semioxalate: a new monoclinic polymorph or a hydrate?","Acta Crystallographica Section C","2011","67","4","o139","o142","10.1107/S0108270111009760","","","0.71073","MoKα","","0.0565","0.0357","","","0.082","0.0926","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018040","19.0103","0.0009","15.7378","0.0007","7.6394","0.0004","90","","90","","90","","2285.56","0.19","220","2","220","","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>cis</i>-dichloridobis(triethylphosphine)platinum(II) chloroform monosolvate","","- C13 H31 Cl5 P2 Pt -","- C13 H31 Cl5 P2 Pt -","- C52 H124 Cl20 P8 Pt4 -","4","0.5","LN3146","Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.","A dynamic disorder-linked reversible phase transition in a new chloroform solvate of <i>cis</i>-dichloridobis(triethylphosphane)platinum(II)","Acta Crystallographica Section C","2011","67","4","m111","m114","10.1107/S0108270111008353","","","0.71073","MoKα","","0.0536","0.0385","","","0.0951","0.1051","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018041","18.9529","0.0009","15.7268","0.0008","7.4934","0.0004","90","","90","","90","","2233.5","0.2","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-dichloridobis(triethylphosphine)platinum(II) chloroform monosolvate","","- C13 H31 Cl5 P2 Pt -","- C13 H31 Cl5 P2 Pt -","- C52 H124 Cl20 P8 Pt4 -","4","1","LN3146","Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.","A dynamic disorder-linked reversible phase transition in a new chloroform solvate of <i>cis</i>-dichloridobis(triethylphosphane)platinum(II)","Acta Crystallographica Section C","2011","67","4","m111","m114","10.1107/S0108270111008353","","","0.71073","MoKα","","0.0269","0.0234","","","0.0441","0.045","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018042","9.1971","0.0006","9.8999","0.0006","11.0409","0.0007","90","","113.223","0.0009","90","","923.83","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tu296","<i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II)‒ <i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) (5/1)","","- C20 H22 Cu0.83 O4 Pd0.17 -","- C20 H22 Cu0.834 O4 Pd0.166 -","- C40 H44 Cu1.668 O8 Pd0.332 -","2","0.5","OV3001","Ho, Douglas M.; Zdilla, Michael J.","<i>trans</i>-Bis(hinokitiolato)copper(II) <i>trans</i>-bis(hinokitiolato)palladium(II) cocrystals with (5/1) and (3/2) formulations","Acta Crystallographica Section C","2011","67","4","m100","m104","10.1107/S0108270111007372","","","0.71073","MoKα","","0.0289","0.0225","","","0.0583","0.0624","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018043","9.1703","0.0012","9.8475","0.0012","10.985","0.0014","90","","112.681","0.0019","90","","915.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tu369","<i>trans</i>-Bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) <i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) (3/2)","","- C20 H22 Cu0.6 O4 Pd0.4 -","- C20 H22 Cu0.601 O4 Pd0.399 -","- C40 H44 Cu1.202 O8 Pd0.798 -","2","0.5","OV3001","Ho, Douglas M.; Zdilla, Michael J.","<i>trans</i>-Bis(hinokitiolato)copper(II) <i>trans</i>-bis(hinokitiolato)palladium(II) cocrystals with (5/1) and (3/2) formulations","Acta Crystallographica Section C","2011","67","4","m100","m104","10.1107/S0108270111007372","","","0.71073","MoKα","","0.0243","0.0187","","","0.044","0.0462","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018044","12.9108","0.0008","10.5408","0.0005","10.3022","0.0007","90","","94.016","0.006","90","","1398.59","0.15","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,4-Dioxan-2-yl)diphenylmethanol","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","OV3002","Hsiao, Tomi; Buchanan, Robert M.; Mashuta, Mark S.","Racemic (1,4-dioxan-2-yl)diphenylmethanol","Acta Crystallographica Section C","2011","67","4","o129","o130","10.1107/S0108270111008419","","","1.5418","CuKα","","0.0356","0.0299","","","0.0681","0.0704","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018045","24.458","0.005","13.672","0.003","16.588","0.003","90","","118.07","0.03","90","","4894","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-<i>N</i>,<i>N</i>'-bis(quinolin-8-yl)pyridine-2,6- dicarboxamido]dizinc(II) dichloromethane disolvate","","- C52 H34 Cl4 N10 O4 Zn2 -","- C52 H34 Cl4 N10 O4 Zn2 -","- C208 H136 Cl16 N40 O16 Zn8 -","4","0.5","SF3146","Xu, Hui-Hua; Tao, Xian; Li, Yue-Qin; Shen, Ying-Zhong; Wei, Yan-Hong","Bis[μ-<i>N</i>,<i>N</i>'-bis(quinolin-8-yl)pyridine-2,6-dicarboxamido]dizinc(II) dichloromethane disolvate","Acta Crystallographica Section C","2011","67","4","m93","m95","10.1107/S0108270111006974","","","0.71073","MoKα","","0.0943","0.0531","","","0.1154","0.1334","","","","","","1.019","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018046","6.8003","0.0003","11.3961","0.0005","16.1548","0.0007","90","","92.968","0.002","90","","1250.27","0.09","87","2","87","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pipzH2(2+)cdo(2-).H2O","piperazine-1,4-diium 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylate monohydrate","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","SK3402","Ghadermazi, Mohammad; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar; Rostami, Shahideh","Statistically disordered short hydrogen bonds in (pipzH~2~)(cdoH)~2~ and a comparison with (pipzH~2~)(cdo)·H~2~O (pipz is piperazine and cdoH~2~ is chelidonic acid)","Acta Crystallographica Section C","2011","67","4","o134","o138","10.1107/S0108270111008110","","","0.71073","MoKα","","0.0387","0.035","","","0.0966","0.0989","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018047","6.788","0.0003","8.065","0.0004","8.5675","0.0004","90.377","0.002","94.11","0.002","104.538","0.003","452.7","0.04","87","2","87","2","","","","","","","","4","P -1","-P 1","2","(pipH~2~)(cdoH)~2~","piperazine-1,4-diium bis(6-carboxy-4-oxo-4<i>H</i>-pyran-2-carboxylate)","","- C18 H18 N2 O12 -","- C18 H18 N2 O12 -","- C18 H18 N2 O12 -","1","0.5","SK3402","Ghadermazi, Mohammad; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar; Rostami, Shahideh","Statistically disordered short hydrogen bonds in (pipzH~2~)(cdoH)~2~ and a comparison with (pipzH~2~)(cdo)·H~2~O (pipz is piperazine and cdoH~2~ is chelidonic acid)","Acta Crystallographica Section C","2011","67","4","o134","o138","10.1107/S0108270111008110","","","0.71073","MoKα","","0.0328","0.0313","","","0.0909","0.0923","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018048","10.5173","0.0002","17.5635","0.0003","19.4889","0.0004","90","","104.878","0.002","90","","3479.31","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^- tetrasulfido)ditungsten(V)","","- C23 H42 B N7 S8 W2 -","- C23 H42 B N7 S8 W2 -","- C92 H168 B4 N28 S32 W8 -","4","1","BI3009","Beheshti, Azizolla; Clegg, William; Ebrahimi Filoori, Nahid; Russo, Luca","Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^-tetrasulfido)ditungsten(V) with <i>Z</i>' = 1 and 2","Acta Crystallographica Section C","2011","67","5","m149","m153","10.1107/S0108270111013035","","","0.71073","MoKα","","0.0501","0.0364","","","0.0944","0.0977","","","","","","1.09","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018049","17.8602","0.001","18.8742","0.001","20.6188","0.001","90","","90.343","0.005","90","","6950.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^- tetrasulfido)ditungsten(V)","","- C23 H42 B N7 S8 W2 -","- C23 H42 B N7 S8 W2 -","- C184 H336 B8 N56 S64 W16 -","8","2","BI3009","Beheshti, Azizolla; Clegg, William; Ebrahimi Filoori, Nahid; Russo, Luca","Two polymorphs of tetraethylammonium [hydrogen tris(3,5-dimethylpyrazolyl)borato]di-μ~2~-sulfido-disulfido(η^2^-tetrasulfido)ditungsten(V) with <i>Z</i>' = 1 and 2","Acta Crystallographica Section C","2011","67","5","m149","m153","10.1107/S0108270111013035","","","0.71073","MoKα","","0.1375","0.0662","","","0.1475","0.1711","","","","","","0.972","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018050","9.5909","0.0001","9.5909","0.0001","33.2924","0.0009","90","","90","","90","","3062.41","0.09","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","<i>trans</i>-Dichloridobis(4,8-dimethyl-2-phenyl-2- phosphabicyclo[3.3.1]nonane-κ<i>P</i>)platinum(II)","","- C32 H46 Cl2 P2 Pt -","- C32 H46 Cl2 P2 Pt -","- C128 H184 Cl8 P8 Pt4 -","4","0.5","BI3013","Bungu, Peter N.; Kirsten, Leo; Otto, Stefanus","<i>trans</i>-Dichloridobis(4,8-dimethyl-2-phenyl-2-phosphabicyclo[3.3.1]nonane-κ<i>P</i>)platinum(II)","Acta Crystallographica Section C","2011","67","5","m154","m156","10.1107/S0108270111013242","","","0.71073","MoKα","","0.0553","0.042","","","0.0645","0.0674","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:00",""
"2018051","6.9357","0.0007","7.3036","0.0007","8.8768","0.0008","73.295","0.001","82.707","0.001","88.071","0.001","427.2","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)benzene- 1,4-diamine","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","1","0.5","BM3102","Collas, Alain; Zeller, Matthias; Blockhuys, Frank","Conformational polymorphism of (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)benzene-1,4-diamine","Acta Crystallographica Section C","2011","67","5","o171","o174","10.1107/S0108270111010109","","","0.71073","MoKα","","0.0496","0.0418","","","0.101","0.106","","","","","","1.08","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018052","6.567","0.001","5.0227","0.0007","26.723","0.005","90","","102.558","0.004","90","","860.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)benzene- 1,4-diamine","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C40 H28 N8 O8 -","2","0.5","BM3102","Collas, Alain; Zeller, Matthias; Blockhuys, Frank","Conformational polymorphism of (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)benzene-1,4-diamine","Acta Crystallographica Section C","2011","67","5","o171","o174","10.1107/S0108270111010109","","","0.71073","MoKα","","0.0677","0.0398","","","0.0927","0.1057","","","","","","1.016","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018053","9.5741","0.001","9.9089","0.0011","11.3324","0.0012","99.957","0.006","90.886","0.007","116.562","0.006","941.87","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Benzyladeninium p-toluene sulfonate","6-benzylamino-7<i>H</i>-purin-3-ium <i>p</i>-toluenesulfonate","","- C19 H19 N5 O3 S -","- C19 H19 N5 O3 S -","- C38 H38 N10 O6 S2 -","2","1","BM3103","Tamilselvi, Duraisamy; Muthiah, P. Thomas","Supramolecular patterns in benzyladeninium <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","2011","67","5","o192","o194","10.1107/S0108270111013424","","","0.71073","MoKα","","0.1199","0.0584","","","0.1702","0.2104","","","","","","0.97","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018054","26.7321","0.0005","26.7321","0.0005","10.87","0.0003","90","","90","","120","","6727.1","0.3","100","1","100","1","","","","","","","","3","R -3 :H","-R 3","148","racemic guest-free Dianin's compound","4-(4-hydroxyphenyl)-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C324 H360 O36 -","18","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(<i>R</i>)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (<i>S</i>)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.039","0.0371","","","0.1227","0.1261","","","","","","1.002","","","","has coordinates,has Fobs","288599","2024-01-02","06:49:37",""
"2018055","10.23394","0.00011","10.25106","0.0001","13.47563","0.00013","90","","90","","90","","1413.71","0.02","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dianin's amine","<i>(R)</i>-4-(4-Aminophenyl)-2,2,4-trimethylchroman","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(<i>R</i>)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (<i>S</i>)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.0265","0.0264","","","0.0713","0.0715","","","","","","1.003","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018056","10.6043","0.0006","10.4104","0.0005","13.4126","0.0006","90","","90","","90","","1480.68","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Thiadianin's amine","<i>(S)</i>-4-(4-Aminophenyl)-2,2,4-trimethylthiachroman","","- C18 H21 N S -","- C18 H21 N S -","- C72 H84 N4 S4 -","4","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(<i>R</i>)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (<i>S</i>)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.0276","0.0272","","","0.0693","0.0697","","","","","","1.004","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018057","11.298","0.002","11.346","0.002","18.391","0.003","101.66","0.01","93.46","0.01","115.55","0.01","2053.8","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","di-μ-iodido-1:1'κ^4^<i>I</i>-bis[tri-μ~3~-imido-1:2:3κ^3^<i>N</i>; 1:2:4κ^3^<i>N</i>;1:3:4κ^3^<i>N</i>-μ~3~-nitrido-2:3:4κ^3^<i>N</i>- tris[2,3,4(η^5^)-pentamethylcyclopentadienyl](pyridine-1κ<i>N</i>)- <i>tetrahedro</i>-potassiumtrititanium(IV)]","","- C70 H106 I2 K2 N10 Ti6 -","- C70 H106 I2 K2 N10 Ti6 -","- C70 H106 I2 K2 N10 Ti6 -","1","0.5","DT3001","Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","A new double-cube nitride complex containing titanium and potassium","Acta Crystallographica Section C","2011","67","5","m157","m159","10.1107/S0108270111012686","","","0.71073","MoKα","","0.0895","0.047","","","0.1053","0.1192","","","","","","0.983","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018058","13.128","0.003","9.493","0.003","15.412","0.004","90","","113.57","0.03","90","","1760.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diammonium hexakis(thiocyanato-κ<i>N</i>)rhenate(IV) dimethyl sulfone tetrasolvate","","- C14 H32 N8 O8 Re S10 -","- C14 H32 N8 O8 Re S10 -","- C28 H64 N16 O16 Re2 S20 -","2","0.5","FA3250","Kochel, Andrzej; Hołyńska, Małgorzata","Diammonium hexakis(thiocyanato-κ<i>N</i>)rhenate(IV) dimethyl sulfone tetrasolvate","Acta Crystallographica Section C","2011","67","5","m134","m136","10.1107/S0108270111010535","","","0.71073","MoKα","","0.0318","0.0233","","","0.0555","0.0571","","","","","","1.004","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018059","6.7195","0.0005","7.1118","0.0004","19.2802","0.0012","80.061","0.005","81.798","0.006","83.04","0.006","893.83","0.1","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","sodium bis(6-carboxy-1-hydroxy-3-oxo-1,3-dihydro-2,1-benzoxaborol-1-yl)oxidanium","","- C16 H15 B2 Na O13 -","- C16 H15 B2 Na O13 -","- C32 H30 B4 Na2 O26 -","2","1","FN3076","Simmons, Scott; Fratini, Albert; Benin, Vladimir","A sodium salt of the dimer of boronoterephthalic acid anhydride","Acta Crystallographica Section C","2011","67","5","m123","m125","10.1107/S0108270111008195","","","1.54178","CuKα","","0.0597","0.0456","","","0.1035","0.1114","","","","","","1.06","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018060","9.4999","0.0015","11.9323","0.0019","15.247","0.003","88.658","0.003","76.925","0.003","89.38","0.003","1683","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)- <i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol","","- C38 H48 N O P -","- C38 H48 N O P -","- C76 H96 N2 O2 P2 -","2","1","FN3077","Lee, Jong-Dae; Suh, Il-Hwan; Kang, Sang Ook","Multiple intramolecular hydrogen bonds in 2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)-<i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol","Acta Crystallographica Section C","2011","67","5","o151","o153","","","","0.71073","MoKα","","0.1221","0.053","","","0.1272","0.1598","","","","","","1.018","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"2018061","9.808","0.004","6.555","0.003","22.018","0.009","90","","93.259","0.004","90","","1413.3","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-5-(2-phenoxyethoxy)phthalonitrile","4-Chloro-5-(2-phenoxyethoxy)benzene-1,2-dicarbonitrile","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","GD3379","Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka","The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile","Acta Crystallographica Section C","2011","67","5","o154","o156","10.1107/S0108270111008675","","","0.71073","MoKα","","0.043","0.0345","","","0.0821","0.0874","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018062","5.8272","0.0013","13.319","0.003","19.38","0.004","90","","96.544","0.002","90","","1494.3","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile","4-chloro-5-[2-(pentafluorophenoxy)ethoxy]benzene-1,2-dicarbonitrile","","- C16 H6 Cl F5 N2 O2 -","- C16 H6 Cl F5 N2 O2 -","- C64 H24 Cl4 F20 N8 O8 -","4","1","GD3379","Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka","The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile","Acta Crystallographica Section C","2011","67","5","o154","o156","10.1107/S0108270111008675","","","0.71073","MoKα","","0.0425","0.0336","","","0.0821","0.0876","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018063","9.655","0.004","10.017","0.004","10.68","0.004","107.082","0.005","90.384","0.006","118.537","0.005","854","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato- κ<i>O</i>)nickel(II) tetrahydrate","diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis[2-(2- carboxylatophenyl)acetato-κ<i>O</i>]nickel(II) tetrahydrate","","- C28 H38 N12 Ni O14 -","- C28 H34 N12 Ni O14 -","- C28 H34 N12 Ni O14 -","1","0.5","GD3385","Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue","Acta Crystallographica Section C","2011","67","5","m169","m172","10.1107/S0108270111014521","","","0.71073","MoKα","","0.0383","0.0354","","","0.0952","0.0973","","","","","","1.094","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018064","9.651","0.002","10.045","0.002","10.661","0.002","107.4","0.004","90.371","0.004","118.019","0.003","857.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato- κ<i>O</i>)cobalt(II) tetrahydrate","diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis[2-(2- carboxylatophenyl)acetato-κ<i>O</i>]cobalt(II) tetrahydrate","","- C28 H38 Co N12 O14 -","- C28 H34 Co N12 O14 -","- C28 H34 Co N12 O14 -","1","0.5","GD3385","Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue","Acta Crystallographica Section C","2011","67","5","m169","m172","10.1107/S0108270111014521","","","0.71073","MoKα","","0.0766","0.0508","","","0.1123","0.1263","","","","","","0.996","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018065","8.15051","0.00015","17.4091","0.0003","19.7447","0.0004","90","","90","","90","","2801.64","0.09","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate","","- C26 H24 Cu2 N6 O11 -","- C26 H24 Cu2 N6 O11 -","- C104 H96 Cu8 N24 O44 -","4","1","GG3255","Abud, Julian E.; Sartoris, Rosana P.; Calvo, Rafael; Baggio, Ricardo","μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate","Acta Crystallographica Section C","2011","67","5","m130","m133","10.1107/S0108270111011048","","","0.71073","MoKα","","0.0427","0.0292","","","0.0527","0.0542","","","","","","0.911","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018066","9.436","0.005","12.978","0.005","18.091","0.005","107.903","0.005","96.269","0.005","95.225","0.005","2077.3","1.5","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane- κ<i>P</i>)iridium(I) dichloromethane monosolvate","","- C46 H40 Cl3 Fe2 Ir O P2 -","- C46 H40 Cl3 Fe2 Ir O P2 -","- C92 H80 Cl6 Fe4 Ir2 O2 P4 -","2","1","GG3257","Muller, Alfred; Otto, Stefanus","<i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)rhodium(I) dichloromethane monosolvate and <i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)iridium(I) dichloromethane monosolvate","Acta Crystallographica Section C","2011","67","5","m165","m168","10.1107/S0108270111014107","","","0.71069","MoKα","","0.0987","0.0475","","","0.0938","0.1064","","","","","","0.913","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2018067","9.452","0.0019","12.989","0.003","18.067","0.004","108.05","0.03","96.38","0.03","95.21","0.03","2077.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane- κ<i>P</i>)rhodium(I) dichloromethane monosolvate","","- C46 H40 Cl3 Fe2 O P2 Rh -","- C46 H40 Cl3 Fe2 O P2 Rh -","- C92 H80 Cl6 Fe4 O2 P4 Rh2 -","2","1","GG3257","Muller, Alfred; Otto, Stefanus","<i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)rhodium(I) dichloromethane monosolvate and <i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)iridium(I) dichloromethane monosolvate","Acta Crystallographica Section C","2011","67","5","m165","m168","10.1107/S0108270111014107","","","0.71073","MoKα","","0.0949","0.0496","","","0.1177","0.1311","","","","","","0.933","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2018068","11.736","0.003","6.801","0.0016","12.793","0.003","90","","102.686","0.002","90","","996.2","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[diaqua-μ~4~-sulfato-di-μ~4~-sulfito-didysprosium(III)]","","- Dy2 H4 O12 S3 -","- Dy2 H4 O12 S3 -","- Dy8 H16 O48 S12 -","4","0.5","KU3040","Zhang, Zai-Chao; Wang, Jia-Hong; Zhao, Pu-Su","Dy~2~(SO~3~)~2~(SO~4~)(H~2~O)~2~: the first lanthanide mixed sulfate‒sulfite inorganic compound","Acta Crystallographica Section C","2011","67","5","i27","i29","10.1107/S0108270111009048","","","0.71073","MoKα","","0.0264","0.022","","","0.0471","0.0487","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018069","9.4744","0.0012","9.5803","0.0012","19.145","0.002","90","","90","","90","","1737.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[tetra-μ~2~-L-lactato-indium(III)sodium(I)]","","- C12 H20 In Na O12 -","- C12 H20 In Na O12 -","- C48 H80 In4 Na4 O48 -","4","1","LG3055","Wei, Jia-Jia; Zhang, Na; Wang, Yu-Ling; Liu, Qing-Yan","Poly[tetra-μ~2~-<small>L</small>-lactato-indium(III)sodium(I)]","Acta Crystallographica Section C","2011","67","5","m145","m148","10.1107/S0108270111013606","","","0.71073","MoKα","","0.0378","0.0285","","","0.0532","0.0568","","","","","","1.022","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018070","7.064","0.002","8.475","0.004","13.966","0.006","102.48","0.03","92.58","0.03","99.96","0.03","801.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal cyclohexylammonium salt monohydrate","cyclohexylammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphinane-2-olate monohydrate","","- C11 H26 N O7 P -","- C11 H26 N O7 P -","- C22 H52 N2 O14 P2 -","2","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","0.71073","MoKα","","0.0453","0.0341","","","0.091","0.0942","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018071","6.678","0.002","8.877","0.002","24.93","0.006","90","","90","","90","","1477.9","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal cyclohexylammonium salt","cyclohexylammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphinane-2-olate","","- C11 H24 N O6 P -","- C11 H24 N O6 P -","- C44 H96 N4 O24 P4 -","4","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","1.5418","CuKα","","0.0632","0.0371","","","0.055","0.0596","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018072","6.859","0.002","7.114","0.003","8.939","0.003","89.13","0.03","76","0.03","81.18","0.03","418.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinane-2-ol","","- C5 H11 O6 P -","- C5 H11 O6 P -","- C10 H22 O12 P2 -","2","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","0.71073","MoKα","","0.0349","0.0304","","","0.0843","0.0861","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018073","8.2526","0.0003","11.9486","0.0004","32.1865","0.001","90","","90","","90","","3173.81","0.19","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","5-amino-8-(2,3,5-tri-<i>O</i>-benzoyl-β-D-ribofuranosyl)pyrimido[4,5- <i>d</i>]pyrimidine-2,4(3<i>H</i>,8<i>H</i>)-dione methanol monosolvate","","- C33 H29 N5 O10 -","- C33 H29 N5 O10 -","- C132 H116 N20 O40 -","4","1","QS3001","Pan, Mei-Ying; Wu, Xiao-Hua; Luo, Dai-Bing; Huang, Wen; He, Yang","A novel Janus-type AT nucleoside with benzoyl protecting groups forming a pleated-sheet structure","Acta Crystallographica Section C","2011","67","5","o175","o178","10.1107/S0108270111011383","","","0.7107","MoKα","","0.0633","0.0384","","","0.086","0.0928","","","","","","0.912","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018074","11.281","0.003","6.336","0.002","16.278","0.005","90","","102.676","0.008","90","","1135.1","0.6","298","1","298","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ferric sulfate trihydrate","diiron(III) trisulfate trihydrate","","- Fe2 H6 O15 S3 -","- Fe2 H6 O15 S3 -","- Fe8 H24 O60 S12 -","4","1","QS3002","Xu, Wenqian; Parise, John B.","Synthetic ferric sulfate trihydrate, Fe~2~(SO~4~)~3~·3H~2~O, a new ferric sulfate salt","Acta Crystallographica Section C","2011","67","5","i30","i32","10.1107/S0108270111012273","","","0.71073","MoKα","","0.0356","0.0278","","","0.0798","0.0842","","","","","","1.047","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018075","9.8072","0.0005","17.1235","0.0009","14.6837","0.0006","90","","129.866","0.002","90","","1892.68","0.17","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol- 1-yl)butane]cadmium(II)]","","- C18 H20 Cd N6 O4 -","- C18 H20 Cd N6 O4 -","- C72 H80 Cd4 N24 O16 -","4","1","QS3003","Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing","A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]","Acta Crystallographica Section C","2011","67","5","m137","m139","10.1107/S0108270111011413","","","0.71073","MoKα","","0.0283","0.0235","","","0.0581","0.0604","","","","","","0.9","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2018076","13.3928","0.0014","5.1432","0.0005","14.6577","0.0015","90","","112.646","0.0006","90","","931.81","0.16","298","","298","","101.3","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Benzoylsulfanyl)acetic acid","","- C9 H8 O3 S -","- C9 H8 O3 S -","- C36 H32 O12 S4 -","4","1","SK3399","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies","Acta Crystallographica Section C","2011","67","5","o166","o170","10.1107/S0108270111010328","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.1","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018077","6.51605","0.00007","8.52612","0.00009","12.9191","0.00011","84.3274","0.0006","80.5788","0.0006","69.19","0.0004","661.225","0.012","298","","298","","","","","","","","","5","P -1","-P 1","2","","2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate","","- C13 H11 N O5 S -","- C13 H11 N O5 S -","- C26 H22 N2 O10 S2 -","2","1","SK3399","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies","Acta Crystallographica Section C","2011","67","5","o166","o170","10.1107/S0108270111010328","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.2","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018078","6.0318","0.0009","8.3396","0.001","25.361","0.004","90","","90","","90","","1275.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>- 1-benzazepin-4-ol","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","SK3404","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol: a three-dimensional framework built from O—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2011","67","5","o157","o160","10.1107/S010827011101016X","","","0.71073","MoKα","","0.05","0.0347","","","0.0768","0.0855","","","","","","1.114","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018079","7.715","0.0009","9.7229","0.0007","7.4514","0.0008","90","","114.453","0.008","90","","508.81","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diaminopyrimidin-4-one","","- C4 H6 N4 O -","- C4 H6 N4 O -","- C16 H24 N16 O4 -","4","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0482","0.0379","","","0.0883","0.0921","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018080","7.4417","0.0006","25.3217","0.0018","9.8578","0.0007","90","","108.476","0.006","90","","1761.8","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-diaminopyrimidin-4-one dimethylformamide solvate hydrate (3/4/1)","","- C8 H16 N5.33 O2.67 -","- C8 H16 N5.33333 O2.66667 -","- C48 H96 N32 O16 -","6","3","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0558","0.0399","","","0.0809","0.0853","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018081","19.1494","0.0013","7.8704","0.0004","14.9104","0.0011","90","","104.868","0.006","90","","2172","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,6-diaminopyrimidin-4-one dimethylacetamide solvate (1/1)","","- C8 H15 N5 O2 -","- C8 H15 N5 O2 -","- C64 H120 N40 O16 -","8","2","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.0505","0.0474","","","0.1232","0.1257","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018082","8.455","0.0009","10.0803","0.0009","17.0735","0.0015","75.558","0.007","78.222","0.008","81.363","0.008","1371.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,6-diaminopyrimidin-4-one <i>N</i>-methyl-2-pyrrolidone solvate (3/2)","","- C23 H39 N11 O5 -","- C23 H39 N11 O5 -","- C46 H78 N22 O10 -","2","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.1051","0.0555","","","0.1137","0.1266","","","","","","0.911","","","","has coordinates,has Fobs","195238","2020-10-21","18:00:00",""
"2018083","7.8763","0.0013","9.6078","0.0017","12.3115","0.0019","108.78","0.013","95.194","0.013","99.959","0.013","858","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-6-methylpyrimidin-4(3<i>H</i>)-one‒2-amino-6-methylpyrimidin-\ 4(1<i>H</i>)-one‒dimethylacetamide (1/1/1)","","- C14 H23 N7 O3 -","- C14 H23 N7 O3 -","- C28 H46 N14 O6 -","2","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.1331","0.0678","","","0.1797","0.2043","","","","","","0.819","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018084","7.3321","0.0007","9.8805","0.0009","12.586","0.0012","102.835","0.007","98.83","0.008","91.555","0.008","876.7","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-6-methylpyrimidin-4(3<i>H</i>)-one–2-amino-6-methylpyrimidin-\ 4(1<i>H</i>)-one–<i>N</i>-methyl-2-pyrrolidone (1/1/1)","","- C15 H23 N7 O3 -","- C15 H23 N7 O3 -","- C30 H46 N14 O6 -","2","1","SK3407","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal","Acta Crystallographica Section C","2011","67","5","o179","o187","10.1107/S0108270111013072","","","0.71073","MoKα","","0.1071","0.0678","","","0.1573","0.1756","","","","","","0.815","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2018085","12.0882","0.0006","25.1607","0.0013","15.8103","0.0008","90","","108.879","0.001","90","","4550","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-dichlorido-<i>trans</i>-dimethyl-<i>cis</i>- bis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide-κ<i>O</i>)tin(IV)","","- C38 H78 Cl2 N6 O2 P2 Sn -","- C38 H78 Cl2 N6 O2 P2 Sn -","- C152 H312 Cl8 N24 O8 P8 Sn4 -","4","1","SQ3282","Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.","The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes","Acta Crystallographica Section C","2011","67","5","m160","m164","10.1107/S010827011101403X","","","0.71073","MoKα","","0.0302","0.0244","","","0.0736","0.0798","","","","","","1.004","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018086","15.4495","0.0012","18.6924","0.0014","16.5229","0.0012","90","","116.656","0.001","90","","4264.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-diaquabis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide-κ<i>O</i>)copper(II) dinitrate– <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide (1/2)","","- C72 H148 Cu N14 O12 P4 -","- C72 H148 Cu N14 O12 P4 -","- C144 H296 Cu2 N28 O24 P8 -","2","0.5","SQ3282","Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.","The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes","Acta Crystallographica Section C","2011","67","5","m160","m164","10.1107/S010827011101403X","","","0.71073","MoKα","","0.0658","0.0432","","","0.0956","0.1058","","","","","","1.043","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018087","11.2894","0.0017","13.539","0.002","13.606","0.002","73.915","0.013","78.438","0.014","74.41","0.012","1906.8","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''- terpyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] 4.5-hydrate","","- C30 H35 Cu2 N6 O18.5 P4 -","- C30 H35 Cu2 N6 O18.5 P4 -","- C60 H70 Cu4 N12 O37 P8 -","2","1","SQ3286","Perec, Mireille; Baggio, Ricardo","Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)] 4.5-hydrate","Acta Crystallographica Section C","2011","67","5","m140","m144","10.1107/S0108270111012121","","","0.71073","MoKα","","0.0731","0.0354","","","0.0904","0.1011","","","","","","1.025","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018088","10.6623","0.0008","25.395","0.002","7.4167","0.0005","90","","90","","90","","2008.2","0.3","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(4-methylbenzylammonium) tetrachloridozincate","","- C16 H24 Cl4 N2 Zn -","- C16 H24 Cl4 N2 Zn -","- C64 H96 Cl16 N8 Zn4 -","4","1","WQ3001","Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frédéric; Ben Nasr, Cherif","Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ^13^C CP‒MAS NMR spectroscopy","Acta Crystallographica Section C","2011","67","5","m126","m129","10.1107/S0108270111012297","","","0.7107","MoKα","","0.0762","0.066","","0.143","0.127","0.143","","","","","","0.924","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018089","12.5606","0.0007","8.0425","0.0005","13.9139","0.0008","90","","102.002","0.003","90","","1374.84","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","cholic acid‒pentan-3-one (1/1)","","- C29 H50 O6 -","- C29 H50 O6 -","- C58 H100 O12 -","2","1","BI3016","Kalf, Irmgard; Englert, Ulli","The molecular conformation of pentan-3-one studied in cholic acid pentan-3-one solvate","Acta Crystallographica Section C","2011","67","6","o206","o208","10.1107/S0108270111016933","","","0.71073","MoKα","","0.1284","0.0805","","","0.177","0.1998","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018090","11.034","0.003","11.741","0.004","12.818","0.003","63.883","0.007","66.841","0.01","86.82","0.013","1356.9","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(+)] pentacarbonylchromate(2-) ethylenediamine monosolvate","","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","1","1","BI3018","Zhai, Jun; Xu, Li","The pentacoordinated [Cr(CO)~5~]^2{-^} dianion in [2,2,2-crypt-K]~2~[Cr(CO)~5~] ethylenediamine monosolvate","Acta Crystallographica Section C","2011","67","6","m202","m204","10.1107/S0108270111018233","","","0.71073","MoKα","","0.0838","0.0475","","","0.104","0.1202","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018091","15.4606","0.0004","9.2495","0.0003","8.4159","0.0002","90","","104.27","0.002","90","","1166.36","0.06","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","1,2,3-trimethylpyridinium aquatrichloridocuprate(II)","","- C8 H14 Cl3 Cu N O -","- C8 H14 Cl3 Cu N O -","- C32 H56 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0309","0.0266","","","0.0652","0.0673","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018092","15.6883","0.0019","9.2405","0.001","8.5073","0.001","90","","103.521","0.009","90","","1199.1","0.2","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","1,2,3-trimethylpyridinium aquatrichloridocuprate(II)","","- C8 H14 Cl3 Cu N O -","- C8 H14 Cl3 Cu N O -","- C32 H56 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0558","0.0421","","","0.1001","0.1118","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018093","15.1429","0.0004","8.8854","0.0002","8.5918","0.0002","90","","104.262","0.002","90","","1120.4","0.05","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","3,4-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12 Cl3 Cu N O -","- C28 H48 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0328","0.0259","","","0.0586","0.0616","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018094","15.3144","0.0004","8.8708","0.0002","8.7761","0.0002","90","","103.967","0.002","90","","1156.99","0.05","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","3,4-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12.12 Cl3 Cu N O -","- C28 H48.48 Cl12 Cu4 N4 O4 -","4","0.5","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0398","0.0327","","","0.0858","0.0901","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018095","8.8088","0.0004","8.7803","0.0004","8.757","0.0004","74.101","0.003","76.513","0.004","59.895","0.007","559.77","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2,3-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12 Cl3 Cu N O -","- C14 H24 Cl6 Cu2 N2 O2 -","2","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0497","0.0459","","","0.1214","0.1235","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018096","8.8369","0.0004","8.8282","0.0004","8.941","0.0004","74.628","0.003","77.056","0.004","59.517","0.007","576.23","0.06","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","2,3-dimethylpyridinium aquatrichloridocuprate(II)","","- C7 H12 Cl3 Cu N O -","- C7 H12 Cl3 Cu N O -","- C14 H24 Cl6 Cu2 N2 O2 -","2","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0531","0.0441","","","0.1211","0.1275","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018097","10.1958","0.0003","7.608","0.0003","16.3281","0.0005","90","","102.927","0.002","90","","1234.46","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethylpiperidinium aquatrichloridocuprate(II)","","- C7 H18 Cl3 Cu N O -","- C7 H18 Cl3 Cu N O -","- C28 H72 Cl12 Cu4 N4 O4 -","4","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0526","0.0356","","","0.0746","0.0811","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018098","10.3459","0.0002","7.6409","0.0002","16.5616","0.0004","90","","103.746","0.002","90","","1271.73","0.05","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethylpiperidinium aquatrichloridocuprate(II)","","- C7 H18 Cl3 Cu N O -","- C7 H18 Cl3 Cu N O -","- C28 H72 Cl12 Cu4 N4 O4 -","4","1","BM3105","Nalla, Sowjanya; Bond, Marcus R.","[CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts","Acta Crystallographica Section C","2011","67","6","m185","m194","10.1107/S0108270111017306","","","0.71073","MoKα","","0.0411","0.0315","","","0.0765","0.083","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018099","9.5388","0.0011","12.6589","0.0014","21.4","0.002","90","","98.539","0.001","90","","2555.4","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","poly[[diaquatri-μ~2~-chlorido-tri-μ~3~-nicotinato- tricopper(I)gadolinium(III)] hemiydrate]","","- C18 H17 Cl3 Cu3 Gd N3 O8.5 -","- C18 H17 Cl3 Cu3 Gd N3 O8.5 -","- C72 H68 Cl12 Cu12 Gd4 N12 O34 -","4","1","DN3161","Wu, Shuhong","A novel three-dimensional heterometallic coordination polymer: poly[[diaquadi-μ~3~-chlorido-μ~2~-chlorido-tri-μ~3~-nicotinato-tricopper(I)gadolinium(III)] hemihydrate]","Acta Crystallographica Section C","2011","67","6","m211","m214","10.1107/S010827011101732X","","","0.71073","MoKα","","0.0588","0.042","","","0.096","0.1056","","","","","","1.001","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018100","7.4436","0.0001","19.0015","0.0004","23.7517","0.0005","90","","91.686","0.001","90","","3357.98","0.11","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine- κ<i>N</i>)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate","","- C64 H68 Cd2 Cl2 N12 O20 -","- C64 H68 Cd2 Cl2 N12 O20 -","- C128 H136 Cd4 Cl4 N24 O40 -","2","0.5","DN3162","Gao, Junlin; Wang, Jun; Nie, Jianhua","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine-κ<i>N</i>)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate: a novel supramolecular system constructed by π‒π and hydrogen-bonding interactions","Acta Crystallographica Section C","2011","67","6","m181","m184","10.1107/S0108270111017690","","","0.71073","MoKα","","0.0346","0.0276","","","0.0626","0.0658","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018101","8.37465","0.00007","11.93209","0.0001","12.61875","0.0001","90","","90","","90","","1260.95","0.018","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine- κ<i>N</i>^4^)platinum(II)","","- C4 H10 Cl2 N10 Pt -","- C4 H10 Cl2 N10 Pt -","- C16 H40 Cl8 N40 Pt4 -","4","1","FA3255","Ivashkevich, Ludmila S.; Serebryanskaya, Tatyana V.; Lyakhov, Alexander S.; Gaponik, Pavel N.","An X-ray powder diffraction study of <i>cis</i>-dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine-κ<i>N</i>^4^)platinum(II), a tetrazole-containing analogue of cisplatin","Acta Crystallographica Section C","2011","67","6","m195","m198","10.1107/S0108270111018063","powder diffraction","","1.5418","CuKα","","0.033","","","","","","","","1.64","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018102","12.238","0.002","12.217","0.002","14.123","0.003","90","","108.61","0.03","90","","2001.1","0.7","168.15","","168.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[diselanylbis(1,3-dimethyl-1<i>H</i>-imidazol-3-ium) [μ~3~-chlorido-tetra-μ~2~-chlorido-tricuprate(I)]]","","- C10 H16 Cl5 Cu3 N4 Se2 -","- C10 H16 Cl5 Cu3 N4 Se2 -","- C40 H64 Cl20 Cu12 N16 Se8 -","4","0.5","FN3080","Kimani, Martin M.; VanDerveer, Don; Brumaghim, Julia L.","The diselanylbis(1,3-dimethyl-1<i>H</i>-imidazol-3-ium) dication stabilized by the polymeric <i>catena</i>-pentachloridotricuprate(I) anion","Acta Crystallographica Section C","2011","67","6","m208","m210","10.1107/S0108270111018117","","","0.71073","MoKα","","0.0546","0.0435","","","0.1043","0.1137","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018103","10.7697","0.0006","8.0282","0.0004","19.6442","0.0012","90","","102.323","0.006","90","","1659.33","0.16","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^- bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate","","- C22 H42 N12 O12 Pd2 -","- C22 H42 N12 O12 Pd2 -","- C44 H84 N24 O24 Pd4 -","2","0.5","GD3392","Seidel, Rüdiger W.; Oppel, Iris M.","μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^-bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate","Acta Crystallographica Section C","2011","67","6","m199","m201","10.1107/S0108270111017586","","","0.71073","MoKα","","0.0706","0.0382","","","0.0664","0.0764","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018104","17.6547","0.0005","9.864","0.0003","33.3982","0.0008","90","","101.56","0.001","90","","5698.2","0.3","167","2","167","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-dianilinopentane-1,3,5-trione","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C272 H256 N32 O48 -","16","2","GG3256","Bats, Jan W.; Brüning, Jürgen; Schmidt, Martin U.","1,5-Dianilinopentane-1,3,5-trione: a crystal structure containing two polymorphic domains","Acta Crystallographica Section C","2011","67","6","o212","o218","10.1107/S0108270111017501","","","0.71073","MoKα","","0.2556","0.048","","","0.0796","0.1105","","","","","","0.814","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018105","17.6547","0.0005","9.864","0.0003","32.7904","0.0008","90","","93.733","0.001","90","","5698.2","0.3","167","2","167","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-dianilinopentane-1,3,5-trione","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C272 H256 N32 O48 -","16","2","GG3256","Bats, Jan W.; Brüning, Jürgen; Schmidt, Martin U.","1,5-Dianilinopentane-1,3,5-trione: a crystal structure containing two polymorphic domains","Acta Crystallographica Section C","2011","67","6","o212","o218","10.1107/S0108270111017501","","","0.71073","MoKα","","0.2811","0.0516","","","0.082","0.115","","","","","","0.826","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018106","7.0045","0.0014","8.487","0.002","10.057","0.0017","81.1","0.02","86.17","0.02","75.25","0.03","571","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[μ-hydroxido-(μ7‒4-phosphonatobenzenesulfonato)ditin(II)]","","- C6 H5 O7 P S Sn2 -","- C6 H5 O7 P S Sn2 -","- C12 H10 O14 P2 S2 Sn4 -","2","1","JZ9200","Maniam, Palanikumar; Stock, Norbert","A three-dimensional tin(II) phosphonatobenzenesulfonate with Sn~4~O~12~ clusters. Corrigendum","Acta Crystallographica Section C","2011","67","6","e14","","10.1107/S0108270111016076","","","0.71073","MoKα","","0.0314","0.0251","","","0.0644","0.0664","","","","","","1.017","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018107","5.442","0.001","5.442","0.001","12.1177","0.0014","90","","90","","90","","358.87","0.1","294","2","294","2","","","","","","","","3","I -4","I -4","82","Wulfenite","lead(II) molybdate(VI)","","- Mo4.24 O16 Pb3.76 -","- Mo1.0595 O4 Pb0.9405 -","- Mo4.238 O16 Pb3.762 -","4","0.5","KU3043","Cora, Ildikó; Czugler, Mátyás; Dódony, István; Rečnik, Aleksander","On the symmetry of wulfenite (Pb[MoO~4~]) from Mežica (Slovenia)","Acta Crystallographica Section C","2011","67","6","i33","i35","10.1107/S0108270111015769","","","0.7107","MoKα","","0.0249","0.0246","","","0.0607","0.0613","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018108","7.6516","0.0001","14.781","0.0003","17.8063","0.0004","90","","95.8175","0.0008","90","","2003.49","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","KU3044","Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc","Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and <i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide","Acta Crystallographica Section C","2011","67","6","o201","o205","10.1107/S0108270111015794","","","0.71073","MoKα","","0.0764","0.0462","","","","0.1262","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018109","9.6722","0.0002","10.014","0.0002","11.5677","0.0003","71.422","0.001","84.479","0.001","67.753","0.001","982.6","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C48 H42 N2 O6 -","2","1","KU3044","Kranjc, Krištof; Kočevar, Marijan; Perdih, Franc","Methyl 2-benzamido-4-(3,4-dimethoxyphenyl)-5-methylbenzoate and <i>N</i>-{5-benzoyl-2-[(<i>Z</i>)-2-methoxyethenyl]-4-methylphenyl}benzamide","Acta Crystallographica Section C","2011","67","6","o201","o205","10.1107/S0108270111015794","","","0.71073","MoKα","","0.1115","0.0617","","","","0.1545","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018110","5.4948","0.0001","8.683","0.0001","21.3724","0.0004","90","","90","","90","","1019.71","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-carboxyethyl(phenyl)phosphinc acid","","","- C9 H11 O4 P -","- C9 H11 O4 P -","- C36 H44 O16 P4 -","4","1","SF3148","Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi","Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid","Acta Crystallographica Section C","2011","67","6","o195","o197","10.1107/S0108270111013163","","","0.71073","MoKα","","0.0443","0.0383","","","0.0838","0.087","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018111","6.1741","0.0015","8.7308","0.0019","19.844","0.004","90","","90","","90","","1069.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-carboxyethyl(phenyl)phosphinc acid","","","- C9 H11 O4 P -","- C9 H11 O4 P -","- C36 H44 O16 P4 -","4","1","SF3148","Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi","Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid","Acta Crystallographica Section C","2011","67","6","o195","o197","10.1107/S0108270111013163","","","0.71073","MoKα","","0.0499","0.037","","","0.0831","0.0898","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018112","14.592","0.003","5.5108","0.0011","15.106","0.003","90","","90","","90","","1214.7","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(Thiophen-3-yl)ethanone","","- C6 H6 O S -","- C6 H6 O S -","- C48 H48 O8 S8 -","8","1","SK3405","Rozycka-Sokolowska, Ewa; Borowski, Andrzej; Marciniak, Bernard","1-(Thiophen-3-yl)ethanone","Acta Crystallographica Section C","2011","67","6","o209","o211","10.1107/S010827011101506X","","","0.71073","MoKα","","0.0861","0.0404","","","0.0669","0.0825","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018113","12.479","0.004","11.452","0.004","16.776","0.006","90","","98.766","0.006","90","","2369.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole","","- C28 H24 N4 O3 -","- C28 H24 N4 O3 -","- C112 H96 N16 O12 -","4","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0873","0.0534","","","0.1229","0.1413","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018114","8.8422","0.0018","12.927","0.003","13.066","0.003","95.232","0.003","97.758","0.003","99.318","0.003","1450.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[[dichloridomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]","","- C29 H28 Cl2 Hg N4 O4 -","- C29 H28 Cl2 Hg N4 O4 -","- C58 H56 Cl4 Hg2 N8 O8 -","2","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0619","0.0515","","","0.1234","0.1287","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018115","8.8247","0.0012","12.9673","0.0018","13.0197","0.0018","95.747","0.002","99.101","0.002","98.902","0.002","1441.5","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[[dibromidomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]","","- C29 H28 Br2 Hg N4 O4 -","- C29 H28 Br2 Hg N4 O4 -","- C58 H56 Br4 Hg2 N8 O8 -","2","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0522","0.0478","","","0.1232","0.1265","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018116","9.046","0.003","13.153","0.004","13.213","0.004","95.975","0.004","99.503","0.004","97.271","0.004","1525.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[[diiodidomercury(II)]-μ-2,5-bis{5-methyl- 2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate]","","- C29 H28 Hg I2 N4 O4 -","- C29 H28 Hg I2 N4 O4 -","- C58 H56 Hg2 I4 N8 O8 -","2","1","SQ3288","Yang, Rui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2011","67","6","m176","m180","10.1107/S0108270111016246","","","0.71073","MoKα","","0.0623","0.0464","","","0.099","0.107","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018117","4.85705","0.0001","8.41719","0.00016","7.87301","0.00016","90","","118.77","0.0011","90","","282.137","0.01","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Magnesium bis(perchlorate)","","- Cl2 Mg O8 -","- Cl2 Mg O8 -","- Cl4 Mg2 O16 -","2","0.5","SQ3289","Lim, Hyung-Kyu; Choi, Young Sun; Hong, Seung-Tae","Magnesium perchlorate anhydrate, Mg(ClO~4~)~2~, from laboratory X-ray powder data","Acta Crystallographica Section C","2011","67","6","i36","i38","10.1107/S0108270111015861","powder diffraction","","1.5405","CuKα~1~","","","","","","","","","","1.35","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018118","4.6061","0.0002","8.2473","0.0002","14.7545","0.0004","99.756","0.002","93.909","0.002","96.506","0.002","546.64","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1,3,5-tris(Bromomethyl)benzene","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","TP3001","Fernandes, José A.; Vilela, Sérgio M. F.; Ribeiro-Claro, Paulo J. A.; Almeida Paz, Filipe A.","1,3,5-Tris(bromomethyl)benzene","Acta Crystallographica Section C","2011","67","6","o198","o200","10.1107/S0108270111013618","","","0.71073","MoKα","","0.0663","0.0349","","","0.0691","0.0772","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018119","9.79","0.0013","10.1129","0.0013","11.2737","0.0014","66.198","0.002","87.935","0.001","69.418","0.002","948.7","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1- yl)butane]cadmium(II)]","","- C18 H20 Cd N6 O4 -","- C18 H20 Cd N6 O4 -","- C36 H40 Cd2 N12 O8 -","2","1","WQ3002","Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan","Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ~3~-benzene-1,4-diacetate)] double chains","Acta Crystallographica Section C","2011","67","6","m173","m175","10.1107/S0108270111016507","","","0.71073","MoKα","","0.0404","0.0386","","","0.1206","0.1215","","","","","","1.215","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018120","10.5967","0.0002","10.5967","0.0002","10.5967","0.0002","90","","90","","90","","1189.9","0.04","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Sodium tris(acetato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","","- C6 H9 Am Na O8 -","- C6 H9 Am Na O8 -","- C24 H36 Am4 Na4 O32 -","4","0.333333","YF3001","Grigoriev, Mikhail S.; Fedosseev, Alexandre M.","Sodium tris(acetato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI) and guanidinium tris(cyclopropanecarboxylato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","Acta Crystallographica Section C","2011","67","6","m205","m207","10.1107/S010827011101701X","","","0.71073","MoKα","","0.0441","0.0322","","","0.0529","0.0558","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018121","9.5421","0.0003","13.283","0.0004","14.2737","0.0004","90","","92.927","0.002","90","","1806.8","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","guanidinium tris(cyclopropanecarboxylato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","","- C13 H21 Am N3 O8 -","- C13 H21 Am N3 O8 -","- C52 H84 Am4 N12 O32 -","4","1","YF3001","Grigoriev, Mikhail S.; Fedosseev, Alexandre M.","Sodium tris(acetato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI) and guanidinium tris(cyclopropanecarboxylato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","Acta Crystallographica Section C","2011","67","6","m205","m207","10.1107/S010827011101701X","","","0.71073","MoKα","","0.0632","0.0343","","","0.0578","0.0653","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018122","23.2351","0.0011","11.7216","0.0004","13.7825","0.0007","90","","115.285","0.006","90","","3394.1","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[(di-2-pyridylamine- κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-benzene- 1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] monohydrate]","","- C18 H15 Cu N3 O5 -","- C18 H15 Cu N3 O5 -","- C144 H120 Cu8 N24 O40 -","8","1","BG3138","Rogan, Jelena; Poleti, Dejan; Karanović, Ljiljana","<i>catena</i>-Poly[[[(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] monohydrate], a zigzag coordination polymer with strong π‒π interactions","Acta Crystallographica Section C","2011","67","7","m230","m233","10.1107/S0108270111022451","","","0.71069","MoKα","","0.0434","0.03","","","0.074","0.0764","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018123","21.9116","0.0006","8.84942","0.0001","17.2357","0.0004","90","","122.196","0.006","90","","2828.2","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)amide 0.11-hydrate","","- C8 H21.22 N3 O4.11 S2 -","- C8 H21.221 N3 O4.1105 S2 -","- C64 H169.768 N24 O32.884 S16 -","8","2","EG3071","Wölper, Christoph; Anwar, Naveed; Gulzar, Naeem; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXCI. The `almost' polymorphs <i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)azanide and its 0.11-hydrate","Acta Crystallographica Section C","2011","67","7","o249","o254","10.1107/S0108270111020816","","","0.71073","MoKα","","0.0312","0.0256","","","0.0534","0.054","","","","","","0.953","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2018124","9.7958","0.0003","8.5522","0.0002","16.0779","0.0004","90","","106.455","0.003","90","","1291.77","0.06","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)amide","","- C8 H21 N3 O4 S2 -","- C8 H21 N3 O4 S2 -","- C32 H84 N12 O16 S8 -","4","1","EG3071","Wölper, Christoph; Anwar, Naveed; Gulzar, Naeem; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXCI. The `almost' polymorphs <i>rac</i>-<i>trans</i>-2-aminocyclohexan-1-aminium di(methanesulfonyl)azanide and its 0.11-hydrate","Acta Crystallographica Section C","2011","67","7","o249","o254","10.1107/S0108270111020816","","","0.71073","MoKα","","0.0308","0.0256","","","0.0735","0.0747","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018125","9.8057","0.0003","18.1602","0.0005","11.8234","0.0003","90","","95.482","0.003","90","","2095.8","0.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~3~-trimethylsilylmethanolato)tetrakis(μ~2~- trimethylsilylmethyl)dimagnesiumdisodium]","","- C24 H66 Mg2 Na2 O2 Si6 -","- C24 H66 Mg2 Na2 O2 Si6 -","- C48 H132 Mg4 Na4 O4 Si12 -","2","0.5","EM3041","Baillie, Sharon E.; Blair, Victoria L.; Hevia, Eva; Kennedy, Alan R.","A new polymeric alkyl/alkoxide magnesium‒sodium inverse crown complex","Acta Crystallographica Section C","2011","67","7","m249","m251","10.1107/S0108270111023134","","","0.71073","MoKα","","0.0588","0.0391","","","0.0949","0.0995","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018126","9.668","0.0002","12.3567","0.0003","12.8186","0.0004","62.364","0.001","76.41","0.001","73.073","0.001","1288.83","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(methyltri-<i>o</i>-tolylphosphonium) octaiodide","","- C44 H48 I8 P2 -","- C44 H48 I8 P2 -","- C44 H48 I8 P2 -","1","0.5","FA3253","Haghjoo, Farhad; Barnes, Nick; Pritchard, Robin","Bis(methyltri-<i>o</i>-tolylphosphonium) octaiodide","Acta Crystallographica Section C","2011","67","7","o219","o221","10.1107/S0108270111019287","","","0.71073","MoKα","","0.0897","0.0694","","","","0.1828","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018127","10.7088","0.0004","6.7143","0.0003","15.7006","0.0005","90","","116.515","0.002","90","","1010.16","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis[dichloridobis(methylamido-κ<i>N</i>)bis(methylamine- κ<i>N</i>)titanium(IV)]","","- C8 H26 Cl6 N4 Ti2 -","- C8 H26 Cl6 N4 Ti2 -","- C16 H52 Cl12 N8 Ti4 -","2","0.5","FG3220","Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.","Di-μ-chlorido-bis[dichloridobis(methylamido-κ<i>N</i>)bis(methylamine-κ<i>N</i>)titanium(IV)]","Acta Crystallographica Section C","2011","67","7","m234","m236","10.1107/S0108270111023353","","","0.71073","MoKα","","0.0327","0.0275","","","0.0589","0.0621","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018128","7.2326","0.0003","12.7207","0.0004","17.7516","0.0005","77.877","0.003","79.096","0.003","73.968","0.004","1519.66","0.1","295","","295","","","","","","","","","5","P -1","-P 1","2","","Methyl 2-(pyrazin-2-ylcarbonyl)hydrazinecarbodithioate","","- C7 H8 N4 O S2 -","- C7 H8 N4 O S2 -","- C42 H48 N24 O6 S12 -","6","3","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.061","0.0352","","","0.0898","0.0944","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018129","7.8332","0.0002","21.0883","0.0004","7.392","0.0002","90","","116.121","0.004","90","","1096.36","0.06","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[bis(methylsulfanyl)methylidene]pyrazine-2-carbohydrazide","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C32 H40 N16 O4 S8 -","4","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.0361","0.0311","","","0.0848","0.0869","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018130","23.111","0.002","7.5812","0.0007","15.6547","0.0014","90","","115.43","0.002","90","","2477.1","0.4","270","","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>'-[bis(methylsulfanyl)methylidene]-6-methoxypyrazine-2-carbohydrazide","","- C9 H12 N4 O2 S2 -","- C9 H12 N4 O2 S2 -","- C72 H96 N32 O16 S16 -","8","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.056","0.0425","","","0.1144","0.1257","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018131","4.09","0.0004","6.4482","0.0006","20.7828","0.0019","90","","91.151","0.002","90","","548","0.09","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","methyl 1-methyl-2-(pyrazin-2-ylcarbonyl)hydrazinecarbodithioate","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C16 H20 N8 O2 S4 -","2","1","GD3386","Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid","Acta Crystallographica Section C","2011","67","7","o235","o240","10.1107/S0108270111021767","","","0.71073","MoKα","","0.0482","0.046","","","0.1215","0.1232","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018132","9.441","0.014","12.56","0.02","13.69","0.02","90","","90","","90","","1623","4","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-amino-6-methylpyridin-1-ium 2-carboxy-3,4,5,6-tetrachlorobenzoate","","- C14 H10 Cl4 N2 O4 -","- C14 H10 Cl4 N2 O4 -","- C56 H40 Cl16 N8 O16 -","4","1","GD3389","Waddell, Paul G.; Hulse, Jeremy O. S.; Cole, Jacqueline M.","Two hydration products of 3,4,5,6-tetrachloro-<i>N</i>-(methyl-2-pyridyl)phthalmic acids","Acta Crystallographica Section C","2011","67","7","o255","o258","10.1107/S0108270111022384","","","0.71073","MoKα","","0.063","0.0571","","","","0.1274","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018133","8.6972","0.0017","13.762","0.003","15.381","0.003","69.388","0.009","75.342","0.01","72.618","0.001","1621.7","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","bis(2-amino-3-methylpyridin-1-ium) 3,4,5,6-tetrachlorophthalate‒ 3,4,5,6-tetrachlorophthalic acid (1/1)","","- C28 H20 Cl8 N4 O8 -","- C28 H20 Cl8 N4 O8 -","- C56 H40 Cl16 N8 O16 -","2","1","GD3389","Waddell, Paul G.; Hulse, Jeremy O. S.; Cole, Jacqueline M.","Two hydration products of 3,4,5,6-tetrachloro-<i>N</i>-(methyl-2-pyridyl)phthalmic acids","Acta Crystallographica Section C","2011","67","7","o255","o258","10.1107/S0108270111022384","","","0.71073","MoKα","","0.0397","0.0362","","","","0.0904","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018134","13.55","0.003","16.78","0.003","19.15","0.004","90","","94.36","0.03","90","","4341.5","1.5","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(9<i>H</i>-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol hemihydrate","","- C24 H27 N2 O4.5 -","- C24 H26.844 N2 O4.5 -","- C192 H214.752 N16 O36 -","8","2","GD3393","Díaz, Fernando; Benassi, Andrés; Quintero, Mariano; Polla, Griselda; Freire, Eleonora; Baggio, Ricardo","1-(9<i>H</i>-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol hemihydrate: a carvedilol solvatomorph","Acta Crystallographica Section C","2011","67","7","o222","o225","10.1107/S0108270111019688","","","0.71073","MoKα","","0.1","0.0539","","","0.1341","0.1472","","","","","","1.05","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018135","9.6649","0.0017","11.578","0.002","16.279","0.003","99.518","0.002","91.296","0.002","105.156","0.002","1729.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) sulfate hexahydrate","","- C20 H78 Cu10 N20 O51 Pr2 S3 -","- C20 H78 Cu10 N20 O51 Pr2 S3 -","- C20 H78 Cu10 N20 O51 Pr2 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0383","0.0288","","","0.0642","0.0694","","","","","","1.048","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018136","9.655","0.002","11.564","0.002","16.278","0.003","99.697","0.002","91.304","0.002","105.236","0.002","1724.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)neodymium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)neodymium(III) sulfate hexahydrate","","- C20 H78 Cu10 N20 Nd2 O51 S3 -","- C20 H78 Cu10 N20 Nd2 O51 S3 -","- C20 H78 Cu10 N20 Nd2 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0257","0.0224","","","0.0638","0.0709","","","","","","1.123","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018137","9.6359","0.0015","11.5787","0.0018","16.249","0.003","99.676","0.002","91.446","0.002","105.23","0.002","1719.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)samarium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)samarium(III) sulfate hexahydrate","","- C20 H78 Cu10 N20 O51 S3 Sm2 -","- C20 H78 Cu10 N20 O51 S3 Sm2 -","- C20 H78 Cu10 N20 O51 S3 Sm2 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0581","0.0509","","","0.1304","0.1374","","","","","","1.021","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018138","9.651","0.003","11.571","0.003","16.254","0.004","99.72","0.004","91","0.004","105.398","0.004","1721.1","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)europium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)europium(III) sulfate hexahydrate","","- C20 H78 Cu10 Eu2 N20 O51 S3 -","- C20 H78 Cu10 Eu2 N20 O51 S3 -","- C20 H78 Cu10 Eu2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.047","0.0377","","","0.0855","0.0918","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018139","9.603","0.003","11.555","0.003","16.22","0.005","99.7","0.004","91.472","0.005","105.356","0.004","1706.1","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)gadolinium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)gadolinium(III) sulfate hexahydrate","","- C20 H78 Cu10 Gd2 N20 O51 S3 -","- C20 H78 Cu10 Gd2 N20 O51 S3 -","- C20 H78 Cu10 Gd2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0594","0.0378","","","0.0751","0.0817","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018140","9.5987","0.0008","11.5733","0.001","16.2193","0.0014","99.754","0.001","91.452","0.001","105.29","0.001","1708.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)dysprosium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)dysprosium(III) sulfate hexahydrate","","- C20 H78 Cu10 Dy2 N20 O51 S3 -","- C20 H78 Cu10 Dy2 N20 O51 S3 -","- C20 H78 Cu10 Dy2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.0261","0.0244","","","0.0633","0.0641","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018141","9.5859","0.0008","11.5639","0.001","16.1967","0.0014","99.779","0.001","91.453","0.001","105.284","0.001","1702.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)holmium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)holmium(III) sulfate hexahydrate","","- C20 H78 Cu10 Ho2 N20 O51 S3 -","- C20 H78 Cu10 Ho2 N20 O51 S3 -","- C20 H78 Cu10 Ho2 N20 O51 S3 -","1","0.5","GD3394","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.","Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate","Acta Crystallographica Section C","2011","67","7","m255","m265","10.1107/S0108270111021780","","","0.71073","MoKα","","0.037","0.0309","","","0.0791","0.0821","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018142","8.869","0.003","18.653","0.005","9.613","0.003","90","","94.56","0.03","90","","1585.3","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dipotassium ethylenediaminetetraacetate dihydrate","dipotassium 2-({2-[bis(carboxylatomethyl)azaniumyl]ethyl}(carboxylatomethyl)\ azaniumyl)acetate dihydrate","","- C10 H18 K2 N2 O10 -","- C10 H18 K2 N2 O10 -","- C40 H72 K8 N8 O40 -","4","1","GD3395","Krawczyk, Monika K.; Lis, Tadeusz","New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O","Acta Crystallographica Section C","2011","67","7","m266","m274","10.1107/S010827011102244X","","","0.71073","MoKα","","0.0539","0.0303","","","0.0671","0.0716","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018143","8.074","0.003","9.987","0.003","11.045","0.003","101.68","0.03","102.19","0.03","96.85","0.03","840.2","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","tripotassium ethylenediaminetetraacetate dihydrate","tripotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)azaniumyl)acetate dihydrate","","- C10 H17 K3 N2 O10 -","- C10 H17 K3 N2 O10 -","- C20 H34 K6 N4 O20 -","2","1","GD3395","Krawczyk, Monika K.; Lis, Tadeusz","New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O","Acta Crystallographica Section C","2011","67","7","m266","m274","10.1107/S010827011102244X","","","0.71073","MoKα","","0.0351","0.0242","","","0.0628","0.0647","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018144","30.033","0.009","9.7","0.003","31.513","0.009","90","","114.27","0.03","90","","8369","5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetrapotassium ethylenediaminetetraacetate 3.92-hydrate","tetrapotassium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate 3.92-hydrate","","- C10 H19.741 K4 N2 O11.923 -","- C10 H19.739 K4 N2 O11.9235 -","- C160 H315.824 K64 N32 O190.776 -","16","2","GD3395","Krawczyk, Monika K.; Lis, Tadeusz","New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O","Acta Crystallographica Section C","2011","67","7","m266","m274","10.1107/S010827011102244X","","","0.71073","MoKα","","0.0455","0.0268","","","0.0518","0.0537","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018145","7.8609","0.0002","14.1905","0.0004","49.5413","0.0012","90","","90.099","0.001","90","","5526.3","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,3'-[(<i>E</i>,<i>E</i>)-ferrocene-1,1'-diyldimethylidyne]diindolin-2-one dichloromethane disolvate","","- C30 H24 Cl4 Fe N2 O2 -","- C30 H24 Cl4 Fe N2 O2 -","- C240 H192 Cl32 Fe8 N16 O16 -","8","2","GG3253","Spencer, John; Nielsen, Birthe V.; Thomas, Michael J. K.; Male, Louise; Coles, Simon J.","The Knoevenagel product of indolin-2-one and ferrocene-1,1'-dicarbaldehyde","Acta Crystallographica Section C","2011","67","7","m245","m248","10.1107/S0108270111021536","","","0.71073","MoKα","","0.1075","0.0849","","","0.1597","0.1734","","","","","","1.166","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018146","19.589","0.004","12.808","0.003","16.207","0.003","90","","97.14","0.03","90","","4034.7","1.5","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[{bis[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}-μ-1,1'-(ethane-1,2-diyl)bis(1<i>H</i>- benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(hexafluoridophosphate) 0.25-hydrate","","- C34 H40.5 F12 Hg N6 O0.25 P2 S2 -","- C34 H40 F12 Hg N6 O0.25 P2 S2 -","- C136 H160 F48 Hg4 N24 O P8 S8 -","4","1","GG3258","Shang, Hai; Zheng, Ai-Xia; Liu, Dong; Ren, Zhi-Gang; Lang, Jian-Ping","Mercury(II) thiolate complexes of two flexible benzimidazole-based ligands","Acta Crystallographica Section C","2011","67","7","m237","m240","10.1107/S0108270111021512","","","0.71073","MoKα","","0.0741","0.0557","","","0.1091","0.1187","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018147","9.871","0.002","10.364","0.002","18.078","0.004","98.39","0.03","97.85","0.03","94.05","0.03","1804.7","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-poly[[{[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}bis[μ-4-(trimethylammonio)benzenethiolate- κ^2^<i>S</i>:<i>S</i>]{[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}-μ-1,1'-(hexane-1,6-diyl)bis(1<i>H</i>- benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^] tetrakis(hexafluoridophosphate)]","","- C56 H74 F24 Hg2 N8 P4 S4 -","- C56 H74 F24 Hg2 N8 P4 S4 -","- C56 H74 F24 Hg2 N8 P4 S4 -","1","0.5","GG3258","Shang, Hai; Zheng, Ai-Xia; Liu, Dong; Ren, Zhi-Gang; Lang, Jian-Ping","Mercury(II) thiolate complexes of two flexible benzimidazole-based ligands","Acta Crystallographica Section C","2011","67","7","m237","m240","10.1107/S0108270111021512","","","0.71073","MoKα","","0.0453","0.0382","","","0.0883","0.0921","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018148","4.8956","0.0007","4.8956","0.0007","29.751","0.006","90","","90","","120","","617.51","0.18","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","europium nickel indide","europium pentanickel indide","","- Eu In Ni5 -","- Eu In Ni5 -","- Eu6 In6 Ni30 -","6","0.166667","KU3048","Bigun, Inna; Smetana, Volodymyr; Kalychak, Yaroslav","A new rhombohedral modification of EuNi~5~In","Acta Crystallographica Section C","2011","67","7","i42","i44","10.1107/S0108270111022359","","","0.71073","MoKα","","0.0249","0.0219","","","0.0492","0.0508","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018149","5.8272","0.0004","9.8245","0.0004","14.3943","0.0011","90","","90","","90","","824.06","0.09","110.3","","110.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-carboline norharman","9<i>H</i>-pyrido[3,4-<i>b</i>]indole","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","KU3050","Thatcher, Robert J.; Douthwaite, Richard E.","β-Carboline (norharman)","Acta Crystallographica Section C","2011","67","7","o241","o243","10.1107/S0108270111021706","","","0.7107","MoKα","","0.0651","0.0377","","","0.0664","0.0726","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018150","8.4243","0.0001","8.4243","0.0001","25.6975","0.0009","90","","90","","90","","1823.72","0.07","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","<i>catena</i>-poly[[bis(pyridine-κ<i>N</i>)zinc(II)]-μ-2-aminobenzene-1,4- dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^]","","- C18 H15 N3 O4 Zn -","- C18 H15 N3 O4 Zn -","- C72 H60 N12 O16 Zn4 -","4","1","KY3002","Han, Lei; Xu, Lan-Ping; Zhao, Wen-Na","A chiral interdigitated supramolecular network assembled from single-stranded helical tubes","Acta Crystallographica Section C","2011","67","7","m227","m229","10.1107/S0108270111022566","","","0.71073","MoKα","","0.07","0.0431","","","0.068","0.0706","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018151","14.253","0.006","14.253","0.006","14.253","0.006","90","","90","","90","","2895","2","153","2","153","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","tribarium biyttrium hexaborate","","- B6 Ba3 O15 Y2 -","- B6 Ba3 O15 Y2 -","- B48 Ba24 O120 Y16 -","8","0.166667","OV3004","Zhao, Sangen; Yao, Jiyong; Zhang, Guochun; Fu, Peizhen; Wu, Yicheng","Ba~3~Y~2~B~6~O~15~, a novel cubic borate","Acta Crystallographica Section C","2011","67","7","i39","i41","10.1107/S010827011102052X","","","0.71073","MoKα","","0.0223","0.0212","","","0.0461","0.0466","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018152","13.3622","0.0002","8.1542","0.0002","15.6845","0.0003","90","","120.184","0.001","90","","1477.24","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-acetylphenyl)-2,5-dichlorobenzenesulfonamide","","- C14 H11 Cl2 N O3 S -","- C14 H11 Cl2 N O3 S -","- C56 H44 Cl8 N4 O12 S4 -","4","1","SF3150","Fernandes, William B.; Aragão, Angelo Q.; Martins, Felipe T.; Noda-Perez, Caridad; Lariucci, Carlito; Napolitano, Hamilton B.","The discrete role of chlorine substitutions in the conformation and supramolecular architecture of arylsulfonamides","Acta Crystallographica Section C","2011","67","7","o226","o229","10.1107/S0108270111019196","","","0.71073","MoKα","","0.0579","0.049","","","","0.1441","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018153","13.0007","0.0005","8.3615","0.0004","12.5179","0.0006","90","","98.118","0.003","90","","1347.13","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-acetylphenyl)benzenesulfonamide","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","SF3150","Fernandes, William B.; Aragão, Angelo Q.; Martins, Felipe T.; Noda-Perez, Caridad; Lariucci, Carlito; Napolitano, Hamilton B.","The discrete role of chlorine substitutions in the conformation and supramolecular architecture of arylsulfonamides","Acta Crystallographica Section C","2011","67","7","o226","o229","10.1107/S0108270111019196","","","0.71073","MoKα","","0.069","0.0483","","","","0.1467","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018154","13.943","0.004","9.24","0.002","21.642","0.005","90","","97.462","0.005","90","","2764.6","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[4-fluoro-<i>N</i>-({2-[<i>N</i>-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ^2^<i>N</i>,<i>N</i>']copper(I)","","- C29 H31 Cu F2 N4 -","- C29 H31 Cu F2 N4 -","- C116 H124 Cu4 F8 N16 -","4","1","SK3409","Willcocks, Alexander M.; Johnson, Andrew L.; Raithby, Paul R.; Schiffers, Stefanie; Warren, John E.","Bis(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[4-fluoro-<i>N</i>-({2-[<i>N</i>-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ^2^<i>N</i>,<i>N</i>']copper(I)","Acta Crystallographica Section C","2011","67","7","m215","m217","10.1107/S010827011101972X","","","0.6939","synchrotron","","","0.0584","","","","0.1648","","","","","","1.125","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018155","15.684","0.003","13.007","0.002","21.981","0.004","90","","90","","90","","4484.2","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[1,2-bis(isopropylsulfanyl)ethane-2κ^2^<i>S</i>,<i>S</i>']octachlorido- 1κ^5^<i>Cl</i>,2κ^3^<i>Cl</i>-μ-oxido-ditantalum(V)","","- C8 H18 Cl8 O S2 Ta2 -","- C8 H18 Cl8 O S2 Ta2 -","- C64 H144 Cl64 O8 S16 Ta16 -","8","1","SK3411","Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael","[Cl~5~Ta(μ-O)TaCl~3~{^<i>i^</i>PrS(CH~2~)~2~S^<i>i^</i>Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries","Acta Crystallographica Section C","2011","67","7","m221","m223","10.1107/S0108270111022037","","","0.71073","MoKα","","0.0479","0.0357","","","0.0668","0.0724","","","","","","1.098","","","","has coordinates,has Fobs","209315","2020-10-21","18:00:00",""
"2018156","28.447","0.003","8.2681","0.0005","16.2051","0.001","90","","120.875","0.005","90","","3271.4","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-dimethyldiselane-κ^2^<i>Se</i>:<i>Se</i>'-μ-oxido- bis[tetrachloridotantalum(V)]","","- C2 H6 Cl8 O Se2 Ta2 -","- C2 H6 Cl8 O Se2 Ta2 -","- C16 H48 Cl64 O8 Se16 Ta16 -","8","1","SK3411","Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael","[Cl~5~Ta(μ-O)TaCl~3~{^<i>i^</i>PrS(CH~2~)~2~S^<i>i^</i>Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries","Acta Crystallographica Section C","2011","67","7","m221","m223","10.1107/S0108270111022037","","","0.71073","MoKα","","0.0201","0.0182","","","0.0397","0.0405","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018157","11.58","0.0009","8.4221","0.0006","11.6393","0.0009","90","","113.354","0.001","90","","1042.16","0.14","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^]cadmium(II)]","","- C22 H20 Cd N4 O6 -","- C22 H20 Cd N4 O6 -","- C44 H40 Cd2 N8 O12 -","2","1","SQ3290","Zhou, Shi; Li, Chuan-Bi; Wang, Qing-Wei; Ng, Seik Weng","Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)cadmium(II)], a twofold interpenetrated CdSO~4~-like metal‒organic polymer","Acta Crystallographica Section C","2011","67","7","m224","m226","10.1107/S010827011102083X","","","0.71073","MoKα","","0.0336","0.0279","","","0.0516","0.0535","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018158","5.8637","0.0005","11.2707","0.0008","23.0268","0.0019","90","","93.082","0.008","90","","1519.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","isonipecotamide hydrogen 4-nitrophthalate","4-carbamoylpiperidinium 2-carboxy-4-nitrobenzoate","","- C14 H17 N3 O7 -","- C14 H17 N3 O7 -","- C56 H68 N12 O28 -","4","1","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0635","0.0461","","","0.1077","0.1141","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018159","6.6897","0.0004","9.7392","0.0005","24.1222","0.0013","90","","92.479","0.004","90","","1570.15","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","isonipecotamide hydrogen 4,5-dichlorophthalate","4-carbamoylpiperidinium 2-carboxy-4,5-dichlorobenzoate","","- C14 H16 Cl2 N2 O5 -","- C14 H16 Cl2 N2 O5 -","- C56 H64 Cl8 N8 O20 -","4","1","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0531","0.046","","","0.1108","0.1131","","","","","","1.299","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018160","9.4117","0.0004","14.3552","0.0005","11.449","0.0005","90","","103.787","0.004","90","","1502.27","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipecotamide hydrogen 5-nitroisophthalate","4-carbamoylpiperidinium 3-carboxy-5-nitrobenzoate","","- C14 H17 N3 O7 -","- C14 H17 N3 O7 -","- C56 H68 N12 O28 -","4","1","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0542","0.0373","","","0.101","0.1064","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018161","6.5099","0.0005","7.7777","0.0006","11.6865","0.0012","76.429","0.008","76.968","0.007","80.885","0.007","556.89","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isonipecotamide terephthalate dihydrate","bis(4-carbamoylpiperidinium) benzene-1,2-dicarboxylate dihydrate","","- C20 H34 N4 O8 -","- C20 H34 N4 O8 -","- C20 H34 N4 O8 -","1","0.5","SU3064","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid","Acta Crystallographica Section C","2011","67","7","o259","o264","10.1107/S0108270111020518","","","0.71073","MoKα","","0.0473","0.0337","","","0.0885","0.0926","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018162","7.0045","0.0004","7.6512","0.0005","9.4192","0.0005","87.877","0.005","71.718","0.005","73.083","0.005","457.76","0.05","291","3","291","3","","","","","","","","4","P -1","-P 1","2","8-Hydroxy-7-quinolinecarboxylic acid monohydrate","8-hydroxyquinolinium-7-carboxylate monohydrate","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C20 H18 N2 O8 -","2","1","UK3030","Kruszynski, Rafal","A structural and theoretical study of the intermolecular interactions in 8-hydroxyquinolinium-7-carboxylate monohydrate","Acta Crystallographica Section C","2011","67","7","o230","o234","10.1107/S0108270111021585","","","0.71073","MoKα","","0.0439","0.0315","","","0.0877","0.0916","","","","","","0.986","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018163","9.885","0.002","7.0011","0.0015","12.746","0.003","90","","97.28","0.003","90","","875","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[[[μ~3~-(5,6-η):κ<i>O</i>^2^:κ<i>O</i>^2^-(±)- (1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>R</i>)-3-carboxy-7- oxabicyclo[2.2.1]hept-5-ene-2-carboxylato]silver(I)] monohydrate]","","- C8 H9 Ag O6 -","- C8 H9 Ag O6 -","- C32 H36 Ag4 O24 -","4","1","WQ3003","Wang, Feng-Yan; Jiang, Xue-Bing; Tan, Xue-Jie; Xing, Dian-Xiang","A two-dimensional undulating Ag^I^ coordination polymer constructed of Ag—C and Ag—O bonds: poly[[[μ~3~-(5,6-η):κ<i>O</i>^2^:κ<i>O</i>^2^-(±)-(1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>R</i>)-3-carboxy-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylato]silver(I)] monohydrate]","Acta Crystallographica Section C","2011","67","7","m218","m220","10.1107/S0108270111019421","","","0.71073","MoKα","","0.0317","0.0295","","","0.0781","0.0795","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018164","27.3191","0.0012","18.7841","0.0007","12.7375","0.0006","90","","97.565","0.004","90","","6479.5","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetra-<i>tert</i>-butyldi-μ~4~-oxido-bis(tetramethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(μ~2~-2,2,6,6-tetramethylpiperidin-1-ido- κ^2^<i>N</i>:<i>N</i>)disodiumtetrazinc hexane 0.59-solvate","","- C49.54 H112.26 N6 Na2 O2 Zn4 -","- C49.54 H112.26 N6 Na2 O2 Zn4 -","- C198.16 H449.04 N24 Na8 O8 Zn16 -","4","0.5","WQ3004","Balloch, Liam; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","A μ~4~-oxide-containing a dimeric variant of a sodium dialkyl(amido)zincate reagent","Acta Crystallographica Section C","2011","67","7","m252","m254","10.1107/S0108270111022645","","","0.71073","MoKα","","0.0484","0.0289","","","0.0839","0.0864","","","","","","0.974","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018165","9.3349","0.0019","9.954","0.002","15.547","0.003","92.21","0.03","93.73","0.03","112.33","0.03","1330.3","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Bis(acetonitrile-κ<i>N</i>)bis[hydridotris(3,5-dimethylpyrazol-1-yl- κ<i>N</i>^2^)borato]di-μ~3~-sulfido-tetra-μ~2~-sulfido-di-μ~2~- thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>- tetracopper(I)ditungsten(VI)","","- C36 H50 B2 Cu4 N16 S8 W2 -","- C36 H50 B2 Cu4 N16 S8 W2 -","- C36 H50 B2 Cu4 N16 S8 W2 -","1","0.5","YF3004","Lü, Xue; Ren, Zhi-Gang; Zheng, Ai-Xia; Zhang, Liang; Lang, Jian-Ping","Bis(acetonitrile-κ<i>N</i>)bis[hydridotris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)borato]di-μ~3~-sulfido-tetra-μ~2~-sulfido-di-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-tetracopper(I)ditungsten(VI)","Acta Crystallographica Section C","2011","67","7","m241","m244","10.1107/S0108270111022347","","","0.71073","MoKα","","0.0373","0.0287","","","0.0703","0.0723","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018166","19.643","0.003","4.9874","0.0006","21.482","0.003","90","","102.056","0.002","90","","2058.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2-chlorobenzyl)-<i>N</i>''-(2,6- difluorobenzoyl)phosphoric triamide","","- C21 H18 Cl2 F2 N3 O2 P -","- C21 H18 Cl2 F2 N3 O2 P -","- C84 H72 Cl8 F8 N12 O8 P4 -","4","1","YP3002","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Saneei, Anahid; Rheingold, Arnold L.; Golen, James A.","Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)~2~ skeleton and an <i>R</i>~2~^2^(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs","Acta Crystallographica Section C","2011","67","7","o265","o272","10.1107/S0108270111019755","","","0.71073","MoKα","","0.0815","0.0523","","","0.1114","0.1279","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018167","4.8252","0.0006","10.3456","0.0012","45.068","0.005","90","","90.53","0.002","90","","2249.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2,6-difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis(4- methoxybenzyl)phosphoric triamide","","- C23 H24 F2 N3 O4 P -","- C23 H24 F2 N3 O4 P -","- C92 H96 F8 N12 O16 P4 -","4","1","YP3002","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Saneei, Anahid; Rheingold, Arnold L.; Golen, James A.","Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)~2~ skeleton and an <i>R</i>~2~^2^(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs","Acta Crystallographica Section C","2011","67","7","o265","o272","10.1107/S0108270111019755","","","0.71073","MoKα","","0.0556","0.0424","","","0.0972","0.1014","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018168","21.164","0.005","5.0011","0.0012","33.635","0.008","90","","95.149","0.005","90","","3545.7","1.5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-chloro-2,2-difluoroacetyl)-<i>N</i>',<i>N</i>''-bis(4- methylphenyl)phosphoric triamide","","- C16 H17 Cl F2 N3 O2 P -","- C16 H17 Cl F2 N3 O2 P -","- C128 H136 Cl8 F16 N24 O16 P8 -","8","1","YP3002","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Saneei, Anahid; Rheingold, Arnold L.; Golen, James A.","Different cyclic motifs in phosphoric triamides containing a C(O)NHP(O)(NH)~2~ skeleton and an <i>R</i>~2~^2^(10) graph set in three new compounds: a database analysis of hydrogen-bond strengths based on motifs","Acta Crystallographica Section C","2011","67","7","o265","o272","10.1107/S0108270111019755","","","0.71073","MoKα","","0.1388","0.0755","","","0.1747","0.1966","","","","","","1.002","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018169","6.0021","0.0015","11.003","0.003","16.96","0.004","90","","92.566","0.004","90","","1118.9","0.5","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate","","- C9 H12 Cl N3 O2 -","- C9 H12 Cl N3 O2 -","- C36 H48 Cl4 N12 O8 -","4","1","YP3004","Cheng, Yuan; Chen, Lu-Sheng; Liu, Qi-Kui; Wu, Jun; Guo, Dian-Shun","Supramolecular structures constructed by 3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate and 3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1-dimethylprop-2-yn-1-ol","Acta Crystallographica Section C","2011","67","7","o244","o248","10.1107/S0108270111019895","","","0.71073","MoKα","","0.061","0.0524","","","0.1114","0.1151","","","","","","1.205","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018170","7.9966","0.0017","9.737","0.002","9.833","0.002","78.976","0.003","86.217","0.003","73.104","0.003","719","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1- dimethylprop-2-yn-1-ol","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C28 H34 N6 O4 -","2","1","YP3004","Cheng, Yuan; Chen, Lu-Sheng; Liu, Qi-Kui; Wu, Jun; Guo, Dian-Shun","Supramolecular structures constructed by 3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate and 3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1-dimethylprop-2-yn-1-ol","Acta Crystallographica Section C","2011","67","7","o244","o248","10.1107/S0108270111019895","","","0.71073","MoKα","","0.0512","0.045","","","0.1087","0.1122","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018171","7.573","0.0003","11.9386","0.0004","15.6694","0.0006","91.026","0.001","94.732","0.001","92.794","0.001","1409.84","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(2,6-diamine-7<i>H</i>-purine-κ<i>N</i>^9^)cobalt(II) benzene-1,2,4,5-tetracarboxylate tetrahydrate","","- C20 H32 Co N12 O16 -","- C20 H32 Co N12 O16 -","- C40 H64 Co2 N24 O32 -","2","1","BM3106","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Tetraaquabis(2,6-diamine-7<i>H</i>-purine-κ<i>N</i>^9^)cobalt(II) benzene-1,2,4,5-tetracarboxylate tetrahydrate","Acta Crystallographica Section C","2011","67","8","m275","m278","10.1107/S0108270111020488","","","0.71073","MoKα","","0.0386","0.0341","","","0.0906","0.0953","","","","","","1.043","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018172","10.1431","0.0019","8.1729","0.0011","9.26","0.002","90","","101.879","0.016","90","","751.2","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycinium semi-malonate","Glycinium semi-malonate","","- C5 H9 N O6 -","- C5 H9 N O6 -","- C20 H36 N4 O24 -","4","1","DT3003","Losev, Evgeniy A.; Zakharov, Boris A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Glycinium semi-malonate and a glutaric acid‒glycine cocrystal: new structures with short O—H···O hydrogen bonds","Acta Crystallographica Section C","2011","67","8","o297","o300","10.1107/S0108270111024620","","","0.71073","MoKα","","0.0523","0.0417","","","0.0896","0.0935","","","","","","1.065","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018173","4.8954","0.0004","20.8944","0.0014","10.8462","0.0008","90","","120.648","0.006","90","","954.45","0.14","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","DT3003","Losev, Evgeniy A.; Zakharov, Boris A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Glycinium semi-malonate and a glutaric acid‒glycine cocrystal: new structures with short O—H···O hydrogen bonds","Acta Crystallographica Section C","2011","67","8","o297","o300","10.1107/S0108270111024620","","","0.71073","MoKα","","0.0511","0.0377","","","0.0949","0.1023","","","","","","1.033","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018174","10.812","0.002","11.942","0.002","10.868","0.002","90","","102.274","0.003","90","","1371.2","0.4","291","2","291","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","(4a<i>R</i>,8a<i>S</i>,9a<i>R</i>,10a<i>S</i>)-8a,9a-Difluoro- 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate","","- C14 H19 F2 O2.5 -","- C14 H19 F2 O2.5 -","- C56 H76 F8 O10 -","4","1","EG3073","Mehta, Goverdhan; Sen, Saikat; Thangam, Meenu","(4a<i>R</i>,8a<i>S</i>,9a<i>R</i>,10a<i>S</i>)-8a,9a-Difluoro-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate","Acta Crystallographica Section C","2011","67","8","o294","o296","10.1107/S0108270111024413","","","0.71073","MoKa","","0.0654","0.0424","","","0.1071","0.1236","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018175","12.4407","0.0003","19.1542","0.0005","14.6744","0.0004","90","","90","","90","","3496.79","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium 2-(picramino)benzoate monohydrate","2,3-Dimethoxy-10-oxostrychnidinium 2-(2,4,6-trinitroanilino)benzoate monohydrate","","- C36 H36 N6 O13 -","- C36 H36 N6 O13 -","- C144 H144 N24 O52 -","4","1","FG3225","Smith, Graham; Wermuth, Urs D.","2,3-Dimethoxy-10-oxostrychnidinium 2-(2,4,6-trinitroanilino)benzoate monohydrate: a 1:1 proton-transfer salt of brucine with <i>o</i>-picraminobenzoic acid","Acta Crystallographica Section C","2011","67","8","o334","o336","10.1107/S010827011102782X","","","0.71073","MoKα","","0.0643","0.0434","","","0.1034","0.1088","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018176","11.4596","0.001","21.834","0.002","23.905","0.002","114.399","0.001","96.285","0.001","90.388","0.001","5405.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>- bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) tetrabromidoferrate(II)","","- C56 H56 Br4 Fe2 N4 P4 -","- C56 H56 Br4 Fe2 N4 P4 -","- C224 H224 Br16 Fe8 N16 P16 -","4","2","GA3164","Maithufi, Norah; Otto, Stefanus","The bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) tetrabromidoferrate(II) and μ-oxido-bis[tribromidoferrate(III)] complex salts","Acta Crystallographica Section C","2011","67","8","m279","m283","10.1107/S0108270111026758","","","0.71073","MoKα","","0.0507","0.0326","","","0.0675","0.0736","","","","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018177","18.928","0.005","18.352","0.004","17.243","0.004","90","","90.365","0.003","90","","5990","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>- bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) μ-oxido-bis[tribromidoferrate(III)]","","- C56 H56 Br6 Fe3 N4 O P4 -","- C56 H56 Br6 Fe3 N4 O P4 -","- C224 H224 Br24 Fe12 N16 O4 P16 -","4","1","GA3164","Maithufi, Norah; Otto, Stefanus","The bis(acetonitrile-κ<i>N</i>)bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)ethanamine-κ^2^<i>P</i>,<i>P</i>']iron(II) tetrabromidoferrate(II) and μ-oxido-bis[tribromidoferrate(III)] complex salts","Acta Crystallographica Section C","2011","67","8","m279","m283","10.1107/S0108270111026758","","","0.71073","MoKα","","0.0524","0.0386","","","0.091","0.0966","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018178","10.292","0.002","11.25","0.003","13.339","0.003","90","","90.644","0.003","90","","1544.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aquahemi[μ~4~-1,6-bis(1,2,4- triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)]","","- C13 H13 Cd N4 O7 -","- C13 H13 Cd N4 O7 -","- C52 H52 Cd4 N16 O28 -","4","1","GA3165","Li, Jing; Wu, Ren-Tao; Li, Hong-Bo","A rare `mesh of trees' (mot) net: poly[aquahemi[μ~4~-1,6-bis(1,2,4-triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)]","Acta Crystallographica Section C","2011","67","8","m284","m286","10.1107/S0108270111021871","","","0.71073","MoKα","","0.0416","0.0316","","","0.0654","0.069","","","","","","0.986","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2018179","15.8827","0.0006","8.1004","0.0003","27.7913","0.001","90","","91.835","0.002","90","","3573.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide 4-amino-<i>N</i>-(4,6-dimethyl-1,2-dihydropyrimidin-2-ylidene)benzenesulfonamide 1,3-dimethyl-7<i>H</i>-purine-2,6-dione","","- C31 H36 N12 O6 S2 -","- C31 H36 N12 O6 S2 -","- C124 H144 N48 O24 S8 -","4","1","GA3166","Lu, Jie; Cruz-Cabeza, Aurora J.; Rohani, Sohrab; Jennings, Michael C.","A 2:1 sulfamethazine‒theophylline cocrystal exhibiting two tautomers of sulfamethazine","Acta Crystallographica Section C","2011","67","8","o306","o309","10.1107/S0108270111024280","","","0.71073","MoKα","","0.0513","0.0395","","","0.1026","0.1096","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018180","6.6517","0.0008","16.084","0.002","9.8254","0.0014","90","","91.825","0.006","90","","1050.6","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(±)-3-<i>exo</i>,6-<i>exo</i>-dibromo-5-<i>endo</i>-hydroxy-3-<i>endo</i>- nitrobicyclo[2.2.1]heptane-2-<i>exo</i>-carbonitrile","","- C8 H8 Br2 N2 O3 -","- C8 H8 Br2 N2 O3 -","- C32 H32 Br8 N8 O12 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.047","0.045","","","0.1149","0.1163","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018181","15.945","0.002","6.7578","0.001","13.194","0.002","90","","107.655","0.009","90","","1354.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-3-<i>exo</i>,6-<i>exo</i>-dibromo-6-<i>endo</i>-nitro-5-<i>exo</i>- phenylbicyclo[2.2.1]heptan-2-<i>endo</i>-ol","","- C13 H13 Br2 N O3 -","- C13 H13 Br2 N O3 -","- C52 H52 Br8 N4 O12 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.029","0.0222","","","0.0508","0.0523","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018182","6.7221","0.0002","7.7353","0.0003","12.1546","0.0005","88.296","0.003","80.595","0.003","69.323","0.003","583.08","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(±)-methyl 3-<i>exo</i>,6-<i>exo</i>-dibromo-5-<i>endo</i>-hydroxy-3-<i>endo</i>- nitrobicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylate","","- C9 H11 Br2 N O5 -","- C9 H11 Br2 N O5 -","- C18 H22 Br4 N2 O10 -","2","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.051","0.0389","","","0.0672","0.07","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018183","15.8724","0.0008","9.0341","0.0004","15.0064","0.0007","90","","98.219","0.002","90","","2129.71","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-methyl 3-<i>exo</i>,6-<i>exo</i>-dibromo-7-(diphenylmethylidene)-5-<i>endo</i>- hydroxy-3-<i>endo</i>-nitrobicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylate","","- C22 H19 Br2 N O5 -","- C22 H19 Br2 N O5 -","- C88 H76 Br8 N4 O20 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.0734","0.0328","","","0.0511","0.0572","","","","","","0.816","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018184","7.8071","0.0013","22.76","0.004","6.7673","0.001","90","","110.32","0.01","90","","1127.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-methyl 3-<i>exo</i>,6-<i>exo</i>-dibromo-5-<i>endo</i>-hydroxy-3-<i>endo</i>-nitro- 7-oxabicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylate","","- C8 H9 Br2 N O6 -","- C8 H9 Br2 N O6 -","- C32 H36 Br8 N4 O24 -","4","1","GD3390","Lemmerer, Andreas; Michael, Joseph P.","Extensive hydrogen and halogen bonding, and absence of intramolecular hydrogen bonding between alcohol and nitro groups in a series of <i>endo</i>-nitronorbornanol compounds","Acta Crystallographica Section C","2011","67","8","o288","o293","10.1107/S0108270111024140","","","0.71073","MoKα","","0.0375","0.0324","","","0.0741","0.0756","","","","","","1.22","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018185","9.0348","0.001","10.377","0.0011","13.8951","0.0015","95.994","0.002","108.342","0.002","107.304","0.002","1152","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","diethyl 3-oxo-2-(triphenylphosphoranylidene)glutarate","","- C27 H27 O5 P -","- C27 H27 O5 P -","- C54 H54 O10 P2 -","2","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0584","0.05","","","0.136","0.1431","","","","","","1.085","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018186","9.957","0.004","10.589","0.004","14.928","0.006","78.191","0.006","71.505","0.006","64.285","0.006","1340.7","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","diethyl 3-oxo-2-(triphenylphosphoranylidene)glutarate acetic acid monosolvate","","- C29 H31 O7 P -","- C29 H31 O7 P -","- C58 H62 O14 P2 -","2","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0764","0.0583","","","0.1453","0.1709","","","","","","0.926","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018187","8.7357","0.001","16.828","0.0018","31.896","0.004","90","","90","","90","","4688.9","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethyl 2-(triphenylphosphoranylidene)succinate","","- C26 H27 O4 P -","- C26 H27 O4 P -","- C208 H216 O32 P8 -","8","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0849","0.0516","","","0.1256","0.1386","","","","","","0.914","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018188","10.8577","0.0004","11.1342","0.0006","12.3719","0.0006","87.928","0.004","73.958","0.004","81.354","0.004","1421.06","0.12","173","","173","","","","","","","","","5","P -1","-P 1","2","","dibenzyl 2-benzyl-2-hydroxy-3-(4-methylphenylsulfonamido)succinate","","- C32 H31 N O7 S -","- C32 H31 N O7 S -","- C64 H62 N2 O14 S2 -","2","1","GZ3195","Mekki, Sofiane; Rolland, Valérie; Bellahouel, Salima; van der Lee, Arie; Rolland, Marc","Concomitant polymorphism in the stereoselective synthesis of a β-benzyl-β-hydroxyaspartate analogue","Acta Crystallographica Section C","2011","67","8","o301","o305","10.1107/S0108270111024632","","","1.54184","CuKα","","0.0587","0.0495","","","0.1391","0.1646","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018189","10.8712","0.0004","19.8539","0.0006","13.818","0.0004","90","","105.156","0.003","90","","2878.68","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibenzyl 2-benzyl-2-hydroxy-3-(4-methylphenylsulfonamido)succinate","","- C32 H31 N O7 S -","- C32 H31 N O7 S -","- C128 H124 N4 O28 S4 -","4","1","GZ3195","Mekki, Sofiane; Rolland, Valérie; Bellahouel, Salima; van der Lee, Arie; Rolland, Marc","Concomitant polymorphism in the stereoselective synthesis of a β-benzyl-β-hydroxyaspartate analogue","Acta Crystallographica Section C","2011","67","8","o301","o305","10.1107/S0108270111024632","","","1.54184","CuKα","","0.1063","0.0666","","","0.2229","0.2339","","","","","","0.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018190","11.6937","0.0012","18.6458","0.0019","27.047","0.003","90","","90","","90","","5897.3","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-L-Val-L-Val-OMe","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-L-valyl-L-valine methyl ester","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","JZ3205","Jacobsen, Øyvind; Gebreslasie, Hadgu Girmay; Klaveness, Jo; Rongved, Pål; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<small>L</small>-valyl-<small>L</small>-valine methyl ester: a twisted parallel β-sheet in the crystal structure of a protected dipeptide","Acta Crystallographica Section C","2011","67","8","o278","o282","10.1107/S0108270111022293","","","0.71073","MoKα","","0.0477","0.0364","","","0.0831","0.0889","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018191","6.116","0.003","15.662","0.007","17.967","0.008","90","","97.878","0.006","90","","1704.8","1.4","105","2","105","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester","methyl 2-{2-[(<i>tert</i>-butoxycarbonyl)amino]-2-methylpropanamido}-2- methylpropanoate","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","JZ3206","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester: two polymorphic forms in the space group <i>P</i>2~1~/<i>n</i>","Acta Crystallographica Section C","2011","67","8","o283","o287","10.1107/S0108270111024322","","","0.71073","MoKα","","0.0927","0.0504","","","0.1091","0.1261","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018192","6.0679","0.0015","33.743","0.009","8.583","0.002","90","","92.266","0.003","90","","1756","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Boc-Aib-Aib-OMe","Methyl 2-(2-{[(<i>tert</i>-butoxy)carbonyl]amino}-2-methylpropanamido)- 2-methylpropanoate","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","JZ3206","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-α-aminoisobutyryl-α-aminoisobutyric acid methyl ester: two polymorphic forms in the space group <i>P</i>2~1~/<i>n</i>","Acta Crystallographica Section C","2011","67","8","o283","o287","10.1107/S0108270111024322","","","0.71073","MoKα","","0.122","0.0424","","","0.093","0.1253","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018193","19.255","0.001","5.7804","0.0004","16.9328","0.0006","90","","112.845","0.004","90","","1736.81","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-(ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane]","","- C16 H16 Br2 O4 S2 -","- C16 H16 Br2 O4 S2 -","- C64 H64 Br8 O16 S8 -","4","0.5","KU3047","Ahmed, Maqsood; Noureen, Sajida; Gros, Philippe C.; Guillot, Benoit; Jelsch, Christian","2,2'-(Ethane-1,2-diyl)bis[2-(5-bromothiophen-2-yl)-1,3-dioxolane] at 100K refined using a multipolar atom model","Acta Crystallographica Section C","2011","67","8","o329","o333","10.1107/S0108270111027247","","","0.71073","MoKα","","0.0219","0.0212","","","0.0521","0.0527","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018194","9.5542","0.0005","18.7198","0.0009","21.1509","0.0012","90","","90","","90","","3782.9","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-fluoro-<i>N</i>-(1<i>H</i>-pyrrol-2-ylmethylidene)aniline","","- C11 H9 F N2 -","- C11 H9 F N2 -","- C176 H144 F16 N32 -","16","2","LG3062","Gomes, Clara S. B.; Figueira, Cláudia A.; Lopes, Patrícia S.; Suresh, D.; Gomes, Pedro T.; Duarte, M. Teresa","Iminopyrrole derivatives containing electron-withdrawing substituents: the formation of dimers and supramolecular arrangements","Acta Crystallographica Section C","2011","67","8","o315","o318","10.1107/S0108270111027491","","","0.71073","MoKα","","0.0726","0.0383","","","0.0841","0.1","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018195","12.5935","0.0013","10.1843","0.0011","16.901","0.002","90","","107.035","0.005","90","","2072.6","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-[(1<i>H</i>-pyrrol-2-ylmethylidene)amino]benzonitrile","","- C12 H9 N3 -","- C12 H9 N3 -","- C96 H72 N24 -","8","2","LG3062","Gomes, Clara S. B.; Figueira, Cláudia A.; Lopes, Patrícia S.; Suresh, D.; Gomes, Pedro T.; Duarte, M. Teresa","Iminopyrrole derivatives containing electron-withdrawing substituents: the formation of dimers and supramolecular arrangements","Acta Crystallographica Section C","2011","67","8","o315","o318","10.1107/S0108270111027491","","","0.71073","MoKα","","0.0863","0.0401","","","0.082","0.0957","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018196","24.7962","0.0003","24.7962","0.0003","5.2924","0.0001","90","","90","","120","","2818.08","0.07","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone acetone 0.167-solvate","","- C6.5 H8 N O2.1667 -","- C6.51 H8.02 N O2.17 -","- C117.18 H144.36 N18 O39.06 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0666","0.0441","","","0.1118","0.13","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018197","24.9208","0.0005","24.9208","0.0005","5.2738","0.0001","90","","90","","120","","2836.47","0.1","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone propan-2-ol 0.167-solvate","","- C6.5 H8.3333 N O2.1667 -","- C6.51 H8.36 N O2.17 -","- C117.18 H150.48 N18 O39.06 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0622","0.0465","","","0.1206","0.1323","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018198","24.9131","0.0011","24.9131","0.0011","5.2462","0.0003","90","","90","","120","","2819.9","0.2","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.0854","0.0519","","","0.1358","0.1562","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018199","25.2734","0.0007","25.2734","0.0007","5.2602","0.0007","90","","90","","120","","2909.8","0.4","293","0.2","293","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.1131","0.0626","","","0.1642","0.1983","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018200","24.9194","0.0005","24.9194","0.0005","5.2541","0.001","90","","90","","120","","2825.6","0.5","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.0642","0.0445","","","0.1219","0.1347","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018201","24.9344","0.0004","24.9344","0.0004","5.2415","0.0001","90","","90","","120","","2822.18","0.08","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0398","0.0373","","","0.1095","0.1129","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018202","25.282","0.006","25.282","0.006","5.1838","0.0014","90","","90","","120","","2869.5","1.2","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0948","0.0731","","","0.2201","0.2455","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018203","6.8802","0.0001","16.7892","0.0004","21.924","0.0005","90","","90","","90","","2532.51","0.09","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-(2-{[amino(iminio)methyl]amino}vinyl)-3,5-dichlorophenolate dihydrate","","- C8 H12 Cl2 N4 O3 -","- C8 H12 Cl2 N4 O3 -","- C64 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.1108","0.0525","","","0.1175","0.1416","","","","","","1.054","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018204","7.0255","0.0001","10.0683","0.0002","11.758","0.0002","112.342","0.0008","93.9597","0.0009","107.427","0.0009","718.02","0.02","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-(2-{[amino(iminio)methyl]amino}vinyl)-3,5-dichlorophenolate methanol disolvate","","- C10 H16 Cl2 N4 O3 -","- C10 H16 Cl2 N4 O3 -","- C20 H32 Cl4 N8 O6 -","2","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.0464","0.0349","","","0.088","0.0951","","","","","","1.057","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018205","15.963","0.0001","7.406","0.0002","21.793","0.0003","90","","90","","90","","2576.41","0.08","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-amino[(2,6-dichloro-4-hydroxystyryl)amino]methaniminium acetate","","- C10 H12 Cl2 N4 O3 -","- C10 H12 Cl2 N4 O3 -","- C80 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.0503","0.0372","","","0.0919","0.0997","","","","","","1.091","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018206","12.0988","0.001","8.6425","0.0007","12.2023","0.001","90","","107.445","0.001","90","","1217.23","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trichloromethylimidoyl-4-methoxybenzamidine","4-methoxy-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C10 H10 Cl3 N3 O -","- C10 H10 Cl3 N3 O -","- C40 H40 Cl12 N12 O4 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.0327","0.0262","","","0.0613","0.0643","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018207","10.2999","0.0003","10.9423","0.0003","15.6902","0.0004","85.5518","0.0012","86.5092","0.0012","81.5436","0.0011","1741.67","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","trichloromethylimidoylbenzamidine","<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C9 H8 Cl3 N3 -","- C9 H8 Cl3 N3 -","- C54 H48 Cl18 N18 -","6","3","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.1068","0.0554","","","0.1265","0.1505","","","","","","0.968","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018208","5.762","0.002","22.711","0.008","9.713","0.004","90","","106.031","0.004","90","","1221.6","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trichloromethylimidoyl-4-chlorobenzamidine","4-chloro-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C9 H7 Cl4 N3 -","- C9 H7 Cl4 N3 -","- C36 H28 Cl16 N12 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.065","0.0501","","","0.1156","0.1221","","","","","","1.214","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018209","5.8124","0.0017","23.379","0.007","9.715","0.003","90","","107.407","0.003","90","","1259.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trichloromethylimidoyl-4-bromobenzamidine","4-bromo-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C9 H7 Br Cl3 N3 -","- C9 H7 Br Cl3 N3 -","- C36 H28 Br4 Cl12 N12 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.0285","0.0241","","","0.0606","0.0616","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018210","11.2939","0.0017","8.3914","0.0013","13.505","0.002","90","","95.505","0.002","90","","1274","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trichloromethylimidoyl-4-trifluoromethylbenzamidine","4-trifluoromethyl-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene- 1-carboximidamide","","- C10 H7 Cl3 F3 N3 -","- C10 H7 Cl3 F3 N3 -","- C40 H28 Cl12 F12 N12 -","4","1","YP3005","Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood","Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides","Acta Crystallographica Section C","2011","67","8","o273","o277","10.1107/S0108270111023985","","","0.71073","MoKα","","0.0406","0.0362","","","0.0949","0.0983","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018211","10.5377","0.0018","12.358","0.002","28.533","0.005","90","","99.343","0.004","90","","3666.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate","","- C19 H64 N4 O19 U -","- C19 H64 N4 O19 U -","- C76 H256 N16 O76 U4 -","4","1","BG3140","Reed, Wendy A.; Oliver, Allen G.; Rao, Linfeng","Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate","Acta Crystallographica Section C","2011","67","9","m301","m303","10.1107/S0108270111032641","","","0.775","synchrotron","","0.0308","0.0273","","","0.071","0.0721","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018212","20.326","0.006","14.184","0.004","36.696","0.013","90","","94.89","0.03","90","","10541","6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(μ-4-chlorobenzoato- κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')(4- chlorobenzoato-κ<i>O</i>)tetrakis(μ^3^-2-pyridylmethanolato- κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>)tetracopper(II)","","- C52 H40 Cl4 Cu4 N4 O12 -","- C52 H40 Cl4 Cu4 N4 O12 -","- C416 H320 Cl32 Cu32 N32 O96 -","8","1","BG3141","Moncol, Jan; Jomova, Klaudia; Zelenicky, Lubomir; Lis, Tadeusz; Valko, Marian","A tetranuclear copper(II) cluster: bis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')(4-chlorobenzoato-κ<i>O</i>)tetrakis(μ~3~-2-pyridylmethanolato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>)tetracopper(II)","Acta Crystallographica Section C","2011","67","9","m318","m320","10.1107/S010827011103335X","","","0.71073","MoKα","","0.0598","0.0343","","","0.0655","0.0689","","","","","","1.024","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018213","19.058","0.004","10.276","0.002","16.323","0.003","90","","90","","90","","3196.7","1.1","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5- dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI)","","- C23 H42 B Br Cu N7 S3 W -","- C23 H42 B Br Cu N7 S3 W -","- C92 H168 B4 Br4 Cu4 N28 S12 W4 -","4","1","BI3020","Wei, Zhenhong; You, Xiuli","Two W/Cu/S clusters: tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5-dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI) and tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5-dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","Acta Crystallographica Section C","2011","67","9","m307","m310","10.1107/S0108270111032586","","","0.71073","MoKα","","0.0416","0.0376","","","0.0819","0.0836","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018214","12.808","0.003","11.768","0.002","22.569","0.005","90","","90","","90","","3401.7","1.2","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5- dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","","- C23 H42 B Br2 Cu2 N7 S3 W -","- C23 H42 B Br2 Cu2 N7 S3 W -","- C92 H168 B4 Br8 Cu8 N28 S12 W4 -","4","0.5","BI3020","Wei, Zhenhong; You, Xiuli","Two W/Cu/S clusters: tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5-dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI) and tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5-dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","Acta Crystallographica Section C","2011","67","9","m307","m310","10.1107/S0108270111032586","","","0.71073","MoKα","","0.0502","0.0434","","","0.1156","0.1196","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018215","11.6424","0.0003","10.7368","0.0003","7.6554","0.0002","90","","93.804","0.002","90","","954.83","0.04","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,5-dimethoxyterephthalic acid","2,5-dimethoxyterephthalic acid","","- C10 H10 O6 -","- C10 H10 O6 -","- C40 H40 O24 -","4","0.5","EG3074","Böhle, Tony; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian O. R. L.","Little change but great effect: varying supramolecular interactions in 2,5-dimethoxyterephthalic acid and 2,5-diethoxyterephthalic acid","Acta Crystallographica Section C","2011","67","9","o350","o353","10.1107/S0108270111030538","","","0.71073","MoKα","","0.0334","0.0293","","","0.0821","0.0841","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018216","3.9796","0.0002","15.7498","0.0007","9.3833","0.0004","90","","98.829","0.001","90","","581.16","0.05","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,5-diethoxyterephthalic acid","2,5-diethoxyterephthalic acid","","- C12 H14 O6 -","- C12 H14 O6 -","- C24 H28 O12 -","2","0.5","EG3074","Böhle, Tony; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian O. R. L.","Little change but great effect: varying supramolecular interactions in 2,5-dimethoxyterephthalic acid and 2,5-diethoxyterephthalic acid","Acta Crystallographica Section C","2011","67","9","o350","o353","10.1107/S0108270111030538","","","0.71073","MoKα","","0.0406","0.0333","","","0.0856","0.089","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018217","6.8522","0.0002","10.558","0.0004","14.3009","0.0006","82.862","0.003","84.892","0.002","86.091","0.003","1020.8","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-(2,4-difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol‒ 2-hydroxybenzoic acid (1/1)","","- C20 H18 F2 N6 O4 -","- C20 H18 F2 N6 O4 -","- C40 H36 F4 N12 O8 -","2","1","EM3042","Kastelic, Jože; Lah, Nina; Kikelj, Danijel; Leban, Ivan","A 1:1 cocrystal of fluconazole with salicylic acid","Acta Crystallographica Section C","2011","67","9","o370","o372","10.1107/S0108270111031155","","","0.71073","MoKα","","0.0691","0.0438","","","0.1005","0.1138","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018218","10.459","0.002","12.88","0.01","14.021","0.004","90","","124.069","0.015","90","","1564.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-3,4,5-trimethoxy-4'-nitrostilbene","(<i>E</i>)-1-nitro-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(<i>E</i>)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.1141","0.0454","","","0.1081","0.1346","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018219","7.512","0.002","7.895","0.001","26.441","0.006","90","","104.667","0.019","90","","1517","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-nitrobenzylidene-3,4,5-trimethoxyaniline","(<i>E</i>)-3,4,5-trimethoxy-<i>N</i>-(4-nitrobenzylidene)aniline","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(<i>E</i>)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.0613","0.0364","","","0.0906","0.1035","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018220","7.215","0.003","14.429","0.002","14.595","0.005","90","","90","","90","","1519.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,4,5-trimethoxybenzylidene-4-nitroaniline","(<i>E</i>)-4-nitro-<i>N</i>-(3,4,5-trimethoxybenzylidene)aniline","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(<i>E</i>)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.0622","0.052","","","0.1303","0.1405","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018221","9.983","0.0003","11.3023","0.0003","15.6037","0.0005","89.947","0.002","89.539","0.001","63.926","0.001","1581.34","0.08","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Pd_iii","<i>trans</i>-dichloridobis(triphenylphosphane)palladium(II)","","- C36 H30 Cl2 P2 Pd -","- C36 H30 Cl2 P2 Pd -","- C72 H60 Cl4 P4 Pd2 -","2","1","FG3223","Corrêa, Rodrigo S.; Graminha, Angélica E.; Ellena, Javier; Batista, Alzir A.","Weak C—H···Cl—Pd interactions toward conformational polymorphism in <i>trans</i>-dichloridobis(triphenylphosphane)palladium(II)","Acta Crystallographica Section C","2011","67","9","m304","m306","10.1107/S0108270111033051","","","0.71073","MoKα","","0.0989","0.046","","","","0.1275","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018222","9.3715","0.0002","14.2178","0.0002","13.8932","0.0002","90","","102.867","0.002","90","","1804.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{2,2'-[1,1'-(<i>o</i>-phenylenedinitrilo)bis(ethan-1-yl-1- ylidene)]diphenolato}oxovanadium(IV)","","- C22 H18 N2 O3 V -","- C22 H18 N2 O3 V -","- C88 H72 N8 O12 V4 -","4","1","KU3049","Kurzak, Krzysztof; Ejsmont, Krzysztof; Koprek, Katarzyna","A vanadyl Schiff base complex: {2,2'-[1,1'-(<i>o</i>-phenylenedinitrilo)bis(ethan-1-yl-1-ylidene)]diphenolato}oxovanadium(IV)","Acta Crystallographica Section C","2011","67","9","m287","m289","10.1107/S0108270111028277","","","0.71073","MoKα","","0.0266","0.0239","","","0.072","0.0731","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018223","16.351","0.005","11.534","0.004","14.075","0.005","90","","111.311","0.005","90","","2472.9","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(terpy)(pyz)](ClO4)2(CH3NO2)","(1<i>H</i>-Pyrazole-κ<i>N</i>^2^)(2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) bis(perchlorate) nitromethane monosolvate","","- C19 H18 Cl2 N6 O10 Pt -","- C19 H18 Cl2 N6 O10 Pt -","- C76 H72 Cl8 N24 O40 Pt4 -","4","1","OV3005","Akerman, Matthew; Akerman, Kate; Jaganyi, Deogratius; Reddy, Desigan","(1<i>H</i>-Pyrazole-κ<i>N</i>^2^)(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) bis(perchlorate) nitromethane monosolvate","Acta Crystallographica Section C","2011","67","9","m290","m292","10.1107/S0108270111026011","","","0.71073","MoKα","","0.0582","0.0466","","","0.1253","0.1312","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018224","19.753","0.004","5.9369","0.0012","21.343","0.005","90","","101.271","0.003","90","","2454.7","0.9","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<i>O</i>-allyl-L-seryl- α-aminoisobutyryl-L-valine methyl ester","(6S,12S)-methyl 6-(allyloxymethyl)-12-isopropyl-2,2,9,9-tetramethyl-4,7,10-trioxo-3-oxa- 5,8,11-triazatridecan-13-oate","","- C21 H37 N3 O7 -","- C21 H37 N3 O7 -","- C84 H148 N12 O28 -","4","1","SF3155","Gebreslasie, Hadgu Girmay; Jacobsen, Øyvind; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<i>O</i>-allyl-<small>L</small>-seryl-α-aminoisobutyryl-<small>L</small>-valine methyl ester: a protected tripeptide with an allylated serine residue","Acta Crystallographica Section C","2011","67","9","o359","o363","10.1107/S0108270111029647","","","0.71073","MoKα","","0.0528","0.0418","","","0.101","0.1069","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018225","7.1493","0.0014","16.137","0.003","17.01","0.003","90","","92.95","0.03","90","","1959.8","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[[μ-1,3-bis(diphenylphosphanyl)propane- κ^2^<i>P</i>:<i>P</i>'][<i>O</i>-ethyl (4-methoxyphenyl)phosphonodithioato- κ^2^<i>S</i>,<i>S</i>']silver(I)] chloroform monosolvate]","","- C37 H39 Ag Cl3 O2 P3 S2 -","- C37 H39 Ag Cl3 O2 P3 S2 -","- C74 H78 Ag2 Cl6 O4 P6 S4 -","2","1","SF3156","Sun, Di; Huang, Rong-Bin","<i>catena</i>-Poly[[[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>'][<i>O</i>-ethyl (4-methoxyphenyl)phosphonodithioato-κ^2^<i>S</i>,<i>S</i>']silver(I)] chloroform monosolvate]","Acta Crystallographica Section C","2011","67","9","m315","m317","10.1107/S010827011103438X","","","0.71073","MoKα","","0.042","0.038","","","0.0718","0.074","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018226","13.464","0.003","18.572","0.004","20.49","0.004","77.42","0.03","89.01","0.03","77.94","0.03","4888","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(aqua-1κ<i>O</i>)tetrakis(μ-2,3-diphenylprop-2-enoato- 1:2κ^2^<i>O</i>:<i>O</i>')bis(2,3-diphenylprop-2-enoato)- 1κ<i>O</i>;2κ<i>O</i>-(ethanol-2κ<i>O</i>)bis(1,10-phenanthroline)- 1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-dilanthanum(III)","","- C116 H90 La2 N4 O14 -","- C116 H87 La2 N4 O14 -","- C232 H174 La4 N8 O28 -","2","1","SQ3293","Yang, Yunyun; Chai, Wenxiang; Song, Li; Lin, Jian","A photochromic dinuclear compound: aquatetrakis(μ-2,3-diphenylprop-2-enoato)bis(2,3-diphenylprop-2-enoato)ethanolbis(1,10-phenanthroline)dilanthanum(III)","Acta Crystallographica Section C","2011","67","9","m293","m296","10.1107/S0108270111030095","","","0.71075","MoKα","","0.1064","0.0585","","","0.1315","0.1694","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018227","10.64","0.002","9.272","0.0019","19.194","0.004","90","","99.55","0.03","90","","1867.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-1,3-bis(4-pyridyl)propane] hemi(naphthalene-1,5-disulfonate) dihydrate]","","- C18 H21 Ag N2 O5 S -","- C18 H21 Ag N2 O5 S -","- C72 H84 Ag4 N8 O20 S4 -","4","1","SQ3295","Wu, Dong-Liang; Liu, Li; Luo, Geng-Geng","<i>catena</i>-Poly[[silver(I)-μ-1,3-bis(4-pyridyl)propane] hemi(naphthalene-1,5-disulfonate) dihydrate]: a three-dimensional metallo-supramolecular sandwich lamellar network","Acta Crystallographica Section C","2011","67","9","m311","m314","10.1107/S0108270111032902","","","0.71073","MoKα","","0.0325","0.0283","","","0.0641","0.0676","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018228","3.6954","0.0002","9.8579","0.0007","10.4254","0.0008","116.081","0.007","97.214","0.005","97.487","0.005","331","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4,4'-bipyridinium bis(hydrogen oxalate)","4,4'-bipyridineium bis(2-hydroxy-2-oxoacetate)","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","SU3065","Androš, Lidija; Planinić, Pavica; Jurić, Marijana","The supramolecular architecture in 4,4'-bipyridinium bis(hydrogen oxalate)","Acta Crystallographica Section C","2011","67","9","o337","o340","10.1107/S0108270111028162","","","0.71073","MoKα","","0.0493","0.0357","","","0.0918","0.0959","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018229","4.9045","0.0003","17.1342","0.001","12.6397","0.0006","90","","90.931","0.005","90","","1062.03","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,4,5,6-pentafluorophenol‒phenazine (2/1)","","- C24 H10 F10 N2 O2 -","- C24 H10 F10 N2 O2 -","- C48 H20 F20 N4 O4 -","2","0.5","SU3067","Czapik, Agnieszka; Gdaniec, Maria","5:1 and 2:1 cocrystals of 2,3,4,5,6-pentafluorophenol with phenazine","Acta Crystallographica Section C","2011","67","9","o341","o345","10.1107/S0108270111027843","","","1.5418","CuKα","","0.047","0.0429","","","0.1213","0.1261","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018230","16.1015","0.0007","4.5223","0.0002","27.4753","0.0012","90","","97.315","0.004","90","","1984.35","0.15","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3,4,5,6-pentafluorophenol‒phenazine (5/1)","","- C42 H13 F25 N2 O5 -","- C42 H13 F25 N2 O5 -","- C84 H26 F50 N4 O10 -","2","0.5","SU3067","Czapik, Agnieszka; Gdaniec, Maria","5:1 and 2:1 cocrystals of 2,3,4,5,6-pentafluorophenol with phenazine","Acta Crystallographica Section C","2011","67","9","o341","o345","10.1107/S0108270111027843","","","1.5418","CuKα","","0.0483","0.0405","","","0.1096","0.1147","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018231","4.691","0.0002","10.1688","0.0006","14.5806","0.0008","90","","98.679","0.002","90","","687.56","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis[(pyridin-2-ylmethyl)sulfanyl]ethane","","- C14 H16 N2 S2 -","- C14 H16 N2 S2 -","- C28 H32 N4 S4 -","2","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0234","0.0216","","","0.0575","0.0589","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018232","7.8247","0.0005","7.8382","0.0005","14.1408","0.0009","90","","101.297","0.003","90","","850.47","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[({2-[(pyridin-1-ium-2-ylmethyl)sulfanyl]ethyl}sulfanyl)methyl]pyridin-1-ium dichloride","","- C14 H18 Cl2 N2 S2 -","- C14 H18 Cl2 N2 S2 -","- C28 H36 Cl4 N4 S4 -","2","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0304","0.0243","","","0.0574","0.06","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018233","13.6599","0.0009","8.5928","0.0006","14.8979","0.0011","90","","90","","90","","1748.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[({2-[(pyridin-1-ium-2-ylmethyl)sulfanyl]ethyl}sulfanyl)methyl]pyridin-1-ium dichloride","","- C14 H18 Cl2 N2 S2 -","- C14 H18 Cl2 N2 S2 -","- C56 H72 Cl8 N8 S8 -","4","0.5","SU3068","Lennartson, Anders; McKenzie, Christine J.","1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt","Acta Crystallographica Section C","2011","67","9","o354","o358","10.1107/S0108270111027867","","","0.71073","MoKα","","0.0333","0.0302","","","0.0796","0.0818","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018234","8.0458","0.0004","8.0633","0.0004","12.2332","0.0007","106.526","0.001","97.606","0.001","93.861","0.001","749.54","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-5-carboxybenzene-1,3-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(2,2'-bi-1<i>H</i>-imidazole- κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc]","","- C30 H20 N8 O12 Zn2 -","- C30 H20 N8 O12 Zn2 -","- C30 H20 N8 O12 Zn2 -","1","0.5","SU3071","Jiang, Yun-Liang; Liu, Qing-Yan; Wang, Yu-Ling","Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc]","Acta Crystallographica Section C","2011","67","9","m297","m300","10.1107/S0108270111031349","","","0.71073","MoKα","","0.0283","0.0254","","","0.0664","0.0681","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018235","9.4591","0.0013","10.094","0.002","24.37","0.004","90","","90","","90","","2326.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>O</i>-Tosyl cinchonidine","<i>O</i>-Tosyl cinchonidine","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","YF3003","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Denisiuk, Monika; Piechocka, Katarzyna","Tosyl esters of cinchonidine and cinchonine alkaloids: the structure‒reactivity relationship in the hydrolysis to 9-epibases","Acta Crystallographica Section C","2011","67","9","o346","o349","10.1107/S0108270111027272","","","1.54178","CuKα","","0.0792","0.0638","","","0.1569","0.1672","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018236","6.835","0.0013","17.7364","0.0016","18.6632","0.0017","90","","90","","90","","2262.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-Tosyl cinchonine","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","YF3003","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Denisiuk, Monika; Piechocka, Katarzyna","Tosyl esters of cinchonidine and cinchonine alkaloids: the structure‒reactivity relationship in the hydrolysis to 9-epibases","Acta Crystallographica Section C","2011","67","9","o346","o349","10.1107/S0108270111027272","","","1.54178","CuKα","","0.0985","0.0509","","","0.1507","0.1765","","","","","","1.012","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018237","4.2475","0.0001","12.3838","0.0002","14.0372","0.0002","90","","92.898","0.002","90","","737.42","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-chloro-2-oxindole","6-chloroindolin-2-one","","- C8 H6 Cl N O -","- C8 H6 Cl N O -","- C32 H24 Cl4 N4 O4 -","4","1","BI3021","Hachuła, Barbara; Zerzucha, Piotr; Zubko, Maciej; Kusz, Joachim","6-Chloro-2-oxindole: X-ray and DFT-calculated study","Acta Crystallographica Section C","2011","67","10","o413","o416","10.1107/S0108270111038005","","","0.71073","MoKα","","0.0263","0.0249","","","0.0677","0.0682","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018238","6.6577","0.0017","18.1234","0.0003","18.579","0.003","90","","90","","90","","2241.7","0.7","122","1","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Magnesium FDA","Hexaaquamagnesium(ii) (2,5-furandicarboxylate)","","- C6 H14 Mg O11 -","- C6 H14 Mg O11 -","- C48 H112 Mg8 O88 -","8","1","BI3023","Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders","Magnesium and nickel(II) furan-2,5-dicarboxylate","Acta Crystallographica Section C","2011","67","10","m327","m330","10.1107/S0108270111036535","","","0.71073","MoKα","","0.0574","0.0354","","","0.0824","0.0917","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018239","9.2242","0.0005","18.4255","0.0009","6.5942","0.0008","90","","102.066","0.006","90","","1095.99","0.16","122","1","122","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nickel FDA","Hexaaquanickel(ii) (2,5-furandicarboxylate)","","- C6 H14 Ni O11 -","- C6 H14 Ni O11 -","- C24 H56 Ni4 O44 -","4","1","BI3023","Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders","Magnesium and nickel(II) furan-2,5-dicarboxylate","Acta Crystallographica Section C","2011","67","10","m327","m330","10.1107/S0108270111036535","","","0.71073","MoKα","","0.0411","0.0281","","","0.0561","0.0601","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018240","11.6138","0.0002","13.0673","0.0003","13.9152","0.0003","90","","92.617","0.0015","90","","2109.58","0.08","150.6","","150.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","succinylcholinium diiodide","trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium diiodide","","- C14 H30 I2 N2 O4 -","- C14 H30 I2 N2 O4 -","- C56 H120 I8 N8 O16 -","4","1","BM3107","Pažout, Richard; Maixner, Jaroslav; Dušek, Michal; Kratochvíl, Bohumil","A new polymorph of succinylcholinium diiodide: comparison of succinylcholinium structures","Acta Crystallographica Section C","2011","67","10","o391","o393","10.1107/S0108270111033245","","","0.7107","MoKα","","0.0215","0.0187","","","0.0371","0.0376","","","","","","2.41","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018241","5.0416","0.0007","7.4621","0.001","12.1396","0.0016","80.248","0.002","80.8","0.002","75.657","0.002","432.74","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Xanthinium nitrate hydrate","2,6-dioxo-1,2,3,6-tetrahydro-9<i>H</i>-purin-7-ium nitrate monohydrate","","- C5 H7 N5 O6 -","- C5 H7 N5 O6 -","- C10 H14 N10 O12 -","2","1","DN3164","Sridhar, Balasubramanian","Water-induced pseudo-quadruple hydrogen-bonding motifs in xanthine‒inorganic acid complexes","Acta Crystallographica Section C","2011","67","10","o382","o386","10.1107/S0108270111036493","","","0.71073","MoKα","","0.039","0.0368","","","0.1002","0.1021","","","","","","1.153","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018242","5.183","0.005","24.805","0.005","7.701","0.005","90","","103.51","0.005","90","","962.7","1.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","Xanthinium hydrogen sulfate hydrate","2,6-dioxo-1,2,3,6-tetrahydro-9<i>H</i>-purin-7-ium hydrogen sulfate monohydrate","","- C5 H8 N4 O7 S -","- C5 H8 N4 O7 S -","- C20 H32 N16 O28 S4 -","4","2","DN3164","Sridhar, Balasubramanian","Water-induced pseudo-quadruple hydrogen-bonding motifs in xanthine‒inorganic acid complexes","Acta Crystallographica Section C","2011","67","10","o382","o386","10.1107/S0108270111036493","","","0.71073","MoKα","","0.0301","0.0298","","","0.0794","0.0798","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018243","7.873","0.003","10.225","0.003","17.006","0.006","90","","97.014","0.004","90","","1358.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[{μ~4~-4-[(carboxyatomethyl)sulfanyl]benzoato}(<i>N</i>,<i>N</i>- dimethylformamide)zinc]","","- C12 H13 N O5 S Zn -","- C12 H13 N O5 S Zn -","- C48 H52 N4 O20 S4 Zn4 -","4","1","EM3043","Zhang, Ming-Xing; Jiao, Xiao-Yan; Chen, Xin; Huang, Kun-Lin","A binuclear zinc polymer with paddlewheel building units and intersecting helical chains based on a flexible 4-[(carboxymethyl)sulfanyl]benzoic acid ligand","Acta Crystallographica Section C","2011","67","10","m324","m326","10.1107/S0108270111032811","","","0.71073","MoKα","","0.0555","0.0367","","","0.0789","0.0907","","","","","","1.002","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2018244","7.1426","0.0018","21.156","0.005","8.623","0.002","90","","108.51","0.005","90","","1235.6","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 1-ethyl-7-fluoro-4-quinolone-3-carboxylate","Ethyl 1-ethyl-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C14 H14 F N O3 -","- C14 H14 F N O3 -","- C56 H56 F4 N4 O12 -","4","1","EM3044","Langer, Vratislav; Mach, Pavel; Smrčok, Ľubomír; Plevová, Kristína; Milata, Viktor","Ethyl 1-ethyl-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate: X-ray and DFT studies","Acta Crystallographica Section C","2011","67","10","o421","o424","10.1107/S0108270111038649","","","0.71073","MoKα","","0.0937","0.0536","","","0.1178","0.1318","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018245","11.4132","0.0004","8.8555","0.0003","17.1797","0.0004","90","","90.5787","0.0017","90","","1736.26","0.09","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,3<i>RS</i>)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4- tetrahydronaphthalen-2-ol","","- C20 H25 N3 O -","- C20 H25 N3 O -","- C80 H100 N12 O4 -","4","1","FA3258","Assaad, Thaer; Rukiah, Mwaffak","Powder X-ray study of racemic (2<i>RS</i>,3<i>RS</i>)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol","Acta Crystallographica Section C","2011","67","10","o378","o381","10.1107/S0108270111036869","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.37","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018246","9.6736","0.0002","7.6203","0.0001","10.6303","0.0002","90","","107.142","0.002","90","","748.81","0.02","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","Plumeridoid C","(2'R,3R,4R,4aS,7aR)-methyl 3-hydroxy-4'-[(S)-1-hydroxyethyl]-5'-oxo- 3,4,4a,7a-tetrahydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate","","- C15 H18 O7 -","- C15 H18 O7 -","- C30 H36 O14 -","2","1","FA3259","Waltenberger, Birgit; Rollinger, Judith M.; Griesser, Ulrich J.; Stuppner, Hermann; Gelbrich, Thomas","Plumeridoid C from the Amazonian traditional medicinal plant <i>Himatanthus sucuuba</i>","Acta Crystallographica Section C","2011","67","10","o409","o412","10.1107/S0108270111035761","","","1.5418","CuKα","","0.0295","0.0291","","","0.0799","0.0806","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018247","6.315","0.0003","9.8178","0.0004","9.8398","0.0004","90","","94.486","0.004","90","","608.19","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(tribromomethyl)benzene","","- C8 H4 Br6 -","- C8 H4 Br6 -","- C16 H8 Br12 -","2","0.5","FA3260","Jones, Peter G.; Hopf, Henning; Silaghi, Anamaria; Näther, Christian","Concomitant but disappearing: two polymorphs of 1,4-bis(tribromomethyl)benzene","Acta Crystallographica Section C","2011","67","10","o405","o408","10.1107/S0108270111037930","","","0.71073","MoKα","","0.0238","0.0153","","","0.0256","0.026","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018248","10.164","0.0009","6.5048","0.0007","19.341","0.0017","90","","102.152","0.009","90","","1250.1","0.2","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-bis(tribromomethyl)benzene","","- C8 H4 Br6 -","- C8 H4 Br6 -","- C32 H16 Br24 -","4","0.5","FA3260","Jones, Peter G.; Hopf, Henning; Silaghi, Anamaria; Näther, Christian","Concomitant but disappearing: two polymorphs of 1,4-bis(tribromomethyl)benzene","Acta Crystallographica Section C","2011","67","10","o405","o408","10.1107/S0108270111037930","","","1.54184","CuKα","","0.0406","0.0368","","","0.0998","0.1028","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018249","4.97","0.004","9.034","0.009","15.544","0.014","90","","90","","90","","697.9","1.1","203","1","203","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","anisaldehyde","4-methoxybenzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.0536","0.036","","","0.0653","0.071","","","","","","0.94","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018250","6.3945","0.0003","13.8939","0.0009","6.9172","0.0004","90","","103.262","0.003","90","","598.17","0.06","233","2","233","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Salicylylaldehyde","2-hydroxybenzaldehyde","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.1095","0.0573","","","0.1511","0.185","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018251","5.9626","0.0002","12.9977","0.0003","9.2522","0.0002","90","","94.282","0.002","90","","715.04","0.03","173","1","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cinnamaldehyde","(2<i>E</i>)-3-phenylprop-2-enal","","- C9 H8 O -","- C9 H8 O -","- C36 H32 O4 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.0542","0.0498","","","0.1219","0.125","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018252","18.999","0.001","6.7318","0.0004","21.1835","0.0011","90","","101.887","0.004","90","","2651.2","0.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb1.0005 Te4 -","- N8 O88 Rb8.004 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.71069","MoKα","","0.0794","0.0367","","","0.038","0.0429","","","","","","1.5","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018253","18.77","0.004","6.645","0.004","20.8","0.007","90","","101.61","0.18","90","","2541","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","Synchrotron","","0.1251","0.1251","","","0.1149","0.1149","","","","","","3.38","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018254","18.604","0.004","6.583","0.002","20.295","0.011","90","","101.5","0.2","90","","2436","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.108","0.108","","","0.0923","0.0923","","","","","","2.97","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018255","18.501","0.003","6.542","0.001","20.045","0.007","90","","101.41","0.1","90","","2378.2","1.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.0981","0.0981","","","0.0854","0.0854","","","","","","2.7","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018256","18.344","0.004","6.473","0.003","19.62","0.01","90","","101.4","0.2","90","","2284","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.1192","0.1189","","","0.0962","0.0962","","","","","","3.13","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018257","7.295","0.002","7.295","0.002","10.578","0.004","90","","90","","90","","562.9","0.3","296","2","296","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","dysprosium molybdate","Dysprosium orthomolybdate","","- Dy2 Mo3 O12 -","- Dy2 Mo3 O12 -","- Dy4 Mo6 O24 -","2","0.25","LG3065","Dorzhieva, Sesegma; Chumak, Ihor; Sarapulova, Angelina; Mikhailova, Daria; Bazarova, Jibzema; Ehrenberg, Helmut","A tetragonal form of dysprosium orthomolybdate at room temperature","Acta Crystallographica Section C","2011","67","10","i50","i52","10.1107/S0108270111033713","","","0.71073","MoKα","","0.0373","0.0291","","","0.0425","0.0447","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018258","10.5043","0.0013","9.6449","0.0011","10.4428","0.0014","92.69","0.03","98.29","0.03","87.45","0.03","1045","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","","- C20 H32 B2 N4 -","- C20 H32 B2 N4 -","- C40 H64 B4 N8 -","2","1","MX3055","Batsanov, Andrei S.; Bramham, George; Norman, Nicholas C.; Russell, Christopher A.","A variable-temperature study of 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","Acta Crystallographica Section C","2011","67","10","o394","o396","10.1107/S0108270111039230","","","0.71073","MoKα","","0.0714","0.0529","","","0.1353","0.1496","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018259","10.4957","0.0011","9.6327","0.001","10.5554","0.0011","90","","98.06","0.02","90","","1056.6","0.2","200","2","200","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","","- C20 H32 B2 N4 -","- C20 H32 B2 N4 -","- C40 H64 B4 N8 -","2","0.5","MX3055","Batsanov, Andrei S.; Bramham, George; Norman, Nicholas C.; Russell, Christopher A.","A variable-temperature study of 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane","Acta Crystallographica Section C","2011","67","10","o394","o396","10.1107/S0108270111039230","","","0.71073","MoKα","","0.0621","0.0428","","","0.1153","0.128","","","","","","1.052","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018260","32.929","0.003","10.2492","0.0006","17.634","0.0019","90","","111.1","0.012","90","","5552.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Butylpyridinium undecachlorocarbadodecaborate","","- C10 H15 B11 Cl11 N -","- C10 H15 B11 Cl11 N -","- C80 H120 B88 Cl88 N8 -","8","1","SF3157","Suarez, Sebastian A.; Foi, Ana; Eady, Shawn; Larsen, Anna; Doctorovich, Fabio","<i>N</i>-Butylpyridinium undecachlorocarbadodecaborate and comparison with similar compounds","Acta Crystallographica Section C","2011","67","10","o417","o420","10.1107/S0108270111035165","","","0.71073","MoKα","","0.1042","0.0712","","","","0.2328","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018261","7.373","0.006","13.06","0.01","16.8","0.012","89.633","0.012","88.194","0.012","84.838","0.011","1610","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,4-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","4","SK3415","Zeller, Matthias; Stouffer, Jake L.; Solomon, Virgil C.; Curtin, Larry S.","High-<i>Z</i>' and twinning behavior in 3,4-dinitrobenzoic acid","Acta Crystallographica Section C","2011","67","10","o397","o404","10.1107/S0108270111035797","","","0.71073","MoKα","","0.0836","0.0623","","","0.1516","0.1644","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018262","9.3597","0.0015","17.198","0.003","9.6857","0.0016","90","","100.187","0.002","90","","1534.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetraaquabis[5-(3-pyridyl-κ<i>N</i>)pyrimidine]zinc(II) bis(trifluoromethanesulfonate)","","- C20 H22 F6 N6 O10 S2 Zn -","- C20 H22 F6 N6 O10 S2 Zn -","- C40 H44 F12 N12 O20 S4 Zn2 -","2","0.5","SQ3296","Hou, Gui-Ge; Ma, Li-Ying; Dai, Xian-Ping","Tetraaquabis[5-(3-pyridyl-κ<i>N</i>)pyrimidine]zinc(II) bis(trifluoromethanesulfonate): a novel cationic complex and three-dimensional hydrogen-bonded network","Acta Crystallographica Section C","2011","67","10","m321","m323","10.1107/S0108270111036274","","","0.71073","MoKα","","0.0741","0.0658","","","0.1895","0.1994","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018263","3.9983","0.0001","9.2595","0.0002","19.8227","0.0005","89.67","0.001","84.947","0.001","86.708","0.001","729.82","0.03","292","2","292","2","","","","","","","","4","P -1","-P 1","2","<i>p</i>-phenetidinium hydrogen phthalate","4-ethoxyanilinium 2-carboxybenzoate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C32 H34 N2 O10 -","2","1","TP3002","Jagan, R.; Sivakumar, K.","Self-assembled supramolecular sheet- and channel-type frameworks in the <i>p</i>-phenetidinium hydrogen phthalate and cyclohexylaminium hydrogen phthalate hemihydrate salts","Acta Crystallographica Section C","2011","67","10","o373","o377","10.1107/S010827011103246X","","","0.71073","MoKα","","0.0522","0.0424","","","0.1115","0.1235","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018264","16.9402","0.0004","14.1463","0.0003","11.6407","0.0002","90","","90","","90","","2789.59","0.1","292","2","292","2","","","","","","","","4","P b c n","-P 2n 2ab","60","cyclohexylaminium hydrogen phthalate hemihydrate","cyclohexylaminium 2-carboxybenzoate hemihydrate","","- C14 H20 N O4.5 -","- C14 H20 N O4.5 -","- C112 H160 N8 O36 -","8","1","TP3002","Jagan, R.; Sivakumar, K.","Self-assembled supramolecular sheet- and channel-type frameworks in the <i>p</i>-phenetidinium hydrogen phthalate and cyclohexylaminium hydrogen phthalate hemihydrate salts","Acta Crystallographica Section C","2011","67","10","o373","o377","10.1107/S010827011103246X","","","0.71073","MoKα","","0.0841","0.0478","","","0.1248","0.1474","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018265","37.574","0.003","8.5769","0.0004","15.661","0.001","90","","105.938","0.008","90","","4853","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]amine}(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(perchlorato-κ<i>O</i>)copper(II) perchlorate","","- C17 H27 Cl2 Cu N7 O8 -","- C17 H27 Cl2 Cu N7 O8 -","- C136 H216 Cl16 Cu8 N56 O64 -","8","1","YF3005","Yu, Fan","<i>In situ</i> synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]amine","Acta Crystallographica Section C","2011","67","10","m331","m334","10.1107/S0108270111031519","","","0.71073","MoKα","","0.1075","0.0485","","","0.0772","0.0876","","","","","","0.877","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018266","16.498","0.003","16.912","0.003","23.552","0.005","90","","90","","90","","6571","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]amine}bis(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) bis(hexafluoridophosphate)","","- C22 H35 Cu F12 N9 P2 -","- C22 H35 Cu F12 N9 P2 -","- C176 H280 Cu8 F96 N72 P16 -","8","1","YF3005","Yu, Fan","<i>In situ</i> synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]amine","Acta Crystallographica Section C","2011","67","10","m331","m334","10.1107/S0108270111031519","","","0.71073","MoKα","","0.0618","0.0527","","","0.1619","0.1694","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018267","15.2796","0.0018","15.2796","0.0018","15.2796","0.0018","90","","90","","90","","3567.3","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","[tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II)","[1,5,9-tris(2-aminoethoxy)-3,7,11-trihydroxy- 3,7,11-tribora-1,5,9-triborata-2,4,6,8,10,12-hexaoxa-13- oxoniatricyclo[7.3.1.0^5,13^]tridecane]cobalt(II)","","- C6 H21 B6 Co N3 O13 -","- C6 H21 B6 Co N3 O13 -","- C48 H168 B48 Co8 N24 O104 -","8","0.333333","BM3109","Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao","Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue","Acta Crystallographica Section C","2011","67","11","m338","m341","10.1107/S0108270111041072","","","0.71073","MoKα","","0.0237","0.0229","","","0.0639","0.0645","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018268","15.2217","0.0018","15.2217","0.0018","15.2217","0.0018","90","","90","","90","","3526.9","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","[tris(2-aminoethoxy)trihydroxyhexaborato]nickel(II)","[1,5,9-tris(2-aminoethoxy)-3,7,11-trihydroxy- 3,7,11-tribora-1,5,9-triborata-2,4,6,8,10,12-hexaoxa-13- oxoniatricyclo[7.3.1.0^5,13^]tridecane]nickel(II)","","- C6 H21 B6 N3 Ni O13 -","- C6 H21 B6 N3 Ni O13 -","- C48 H168 B48 N24 Ni8 O104 -","8","0.333333","BM3109","Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao","Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue","Acta Crystallographica Section C","2011","67","11","m338","m341","10.1107/S0108270111041072","","","0.71073","MoKα","","0.0536","0.0438","","","0.0921","0.107","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018269","6.9034","0.0002","11.3549","0.0004","15.3196","0.0006","70.713","0.004","83.131","0.003","89.141","0.003","1124.95","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[(μ~4~-adamantane-1,3-dicarboxylato- κ^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)(μ~3~- adamantane-1,3-dicarboxylato- κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^) dimagnesium]","","- C24 H28 Mg2 O8 -","- C24 H28 Mg2 O8 -","- C48 H56 Mg4 O16 -","2","1","BM3110","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Poly[(μ~4~-adamantane-1,3-dicarboxylato-κ^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)(μ~3~-adamantane-1,3-dicarboxylato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)dimagnesium]: a layered coordination polymer","Acta Crystallographica Section C","2011","67","11","m335","m337","10.1107/S0108270111037954","","","0.71073","MoKα","","0.0841","0.0531","","","0.1321","0.1535","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018270","12.6234","0.0003","8.90929","0.00016","17.2752","0.0003","90","","102.854","0.0011","90","","1894.18","0.07","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,3<i>RS</i>)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]- 1,2,3,4-tetrahydronaphthalen-2-ol","","- C21 H27 N3 O2 -","- C21 H27 N3 O2 -","- C84 H108 N12 O8 -","4","1","CU3006","Assaad, Thaer; Rukiah, Mwaffak","Powder X-ray study of racemic (2<i>RS</i>,3<i>RS</i>)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol","Acta Crystallographica Section C","2011","67","11","o469","o472","10.1107/S0108270111040844","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.65","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018271","18.229","0.002","11.7659","0.0013","8.1599","0.001","90","","94.852","0.004","90","","1743.9","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3,5-Difluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H15 F2 N O2 -","- C24 H15 F2 N O2 -","- C96 H60 F8 N4 O8 -","4","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated <i>N</i>-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.0539","0.0484","","","0.1097","0.1124","","","","","","1.176","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018272","17.687","0.002","12.3369","0.0014","8.1066","0.0009","90","","95.716","0.007","90","","1760.1","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,4,6-Trifluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H14 F3 N O2 -","- C24 H14 F3 N O2 -","- C96 H56 F12 N4 O8 -","4","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated <i>N</i>-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.0544","0.0385","","","0.0966","0.1058","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018273","18.259","0.004","24.104","0.006","8.4301","0.0018","90","","90","","90","","3710.2","1.5","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","<i>N</i>-(2,3,4,5,6-Pentafluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C24 H12 F5 N O2 -","- C24 H12 F5 N O2 -","- C192 H96 F40 N8 O16 -","8","1","EG3076","Schwarzer, Anke; Weber, Edwin","Three new fluorinated <i>N</i>-phenyl-substituted pentacyclic ethanoanthracenedicarboximides","Acta Crystallographica Section C","2011","67","11","o457","o460","10.1107/S0108270111042454","","","0.71073","MoKα","","0.1369","0.0636","","","0.1317","0.1743","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018274","9.913","0.0008","16.5329","0.0013","9.9992","0.0008","90","","98.023","0.001","90","","1622.7","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>- thieno[2,3-<i>b</i>][1,5]benzodiazepin","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","EG3078","Thakuria, Ranjit; Nangia, Ashwini","Polymorphic form IV of olanzapine","Acta Crystallographica Section C","2011","67","11","o461","o463","10.1107/S0108270111043952","","","0.71073","MoKα","","0.0506","0.0466","","","0.1164","0.1192","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018275","9.068","0.003","7.513","0.002","16.126","0.004","90","","103.55","0.03","90","","1068.1","0.5","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate monohydrate","","- C6 H12 N2 O7 P2 -","- C6 H12 N2 O7 P2 -","- C24 H48 N8 O28 P8 -","4","1","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.0745","0.0553","","","0.1283","0.1342","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018276","9.172","0.003","14.802","0.004","7.589","0.002","90","","104.35","0.03","90","","998.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate","","- C6 H10 N2 O6 P2 -","- C6 H10 N2 O6 P2 -","- C24 H40 N8 O24 P8 -","4","1","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.1386","0.0482","","","0.0485","0.0563","","","","","","0.815","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018277","7.667","0.002","8.364","0.002","9.283","0.003","109.41","0.03","105.31","0.03","92.39","0.03","536","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","hydrogen {phosphono[(2-chloropyridin-1-ium-3-yl)amino]methyl}phosphonate","","- C6 H9 Cl N2 O6 P2 -","- C6 H9 Cl N2 O6 P2 -","- C12 H18 Cl2 N4 O12 P4 -","2","1","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.0303","0.0273","","","0.0735","0.0747","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018278","8.555","0.002","7.585","0.002","24.56","0.005","90","","94.32","0.03","90","","1589.2","0.6","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","bis(6-chloropyridin-3-aminium) [hydrogen bis({[2-chloropyridin-1-ium-3-yl(0.5+)]amino}methylenediphosphonate)]","","- C22 H28 Cl4 N8 O12 P4 -","- C22 H28 Cl4 N8 O12 P4 -","- C44 H56 Cl8 N16 O24 P8 -","2","0.5","FG3227","Matczak-Jon, Ewa; Ślepokura, Katarzyna","Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives","Acta Crystallographica Section C","2011","67","11","o450","o456","10.1107/S0108270111040650","","","0.71073","MoKα","","0.0677","0.0412","","","0.0851","0.0897","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018279","9.7764","0.0015","12.0384","0.0014","12.8889","0.0015","81.491","0.003","72.328","0.005","88.39","0.005","1429.2","0.3","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","3-chloro-2-nitrobenzoic acid‒phthalazine (1/1)","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C60 H40 Cl4 N12 O16 -","4","2","FG3232","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section C","2011","67","11","o473","o478","10.1107/S0108270111044829","","","0.71075","MoKα","","0.053","0.0366","","","0.1042","0.1115","","","","","","1.098","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018280","12.2261","0.0005","16.9779","0.0007","14.4537","0.0006","90","","106.896","0.0013","90","","2870.7","0.2","190","1","190","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-chloro-2-nitrobenzoic acid‒phthalazine (1/1)","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C120 H80 Cl8 N24 O32 -","8","2","FG3232","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section C","2011","67","11","o473","o478","10.1107/S0108270111044829","","","0.71075","MoKα","","0.0507","0.0416","","","0.117","0.1226","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018281","6.9197","0.0005","14.4263","0.0012","14.475","0.0009","81.704","0.002","79.0781","0.0018","85.647","0.002","1402.2","0.18","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","4-chloro-3-nitrobenzoic acid‒phthalazine (1/1)","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C60 H40 Cl4 N12 O16 -","4","2","FG3232","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section C","2011","67","11","o473","o478","10.1107/S0108270111044829","","","0.71075","MoKα","","0.0852","0.0574","","","0.1426","0.1538","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018282","4.0969","0.0006","4.0969","0.0006","13.602","0.003","90","","90","","120","","197.72","0.06","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","scandium telluride","","- Sc Te -","- Sc Te -","- Sc4 Te4 -","4","0.166667","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.0377","0.0358","","","0.0785","0.0805","","","","","","1.566","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018283","8.059","0.003","8.059","0.003","3.907","0.003","90","","90","","90","","253.7","0.2","293","2","293","2","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","triyttrium digold","","- Au2 Y3 -","- Au2 Y3 -","- Au4 Y6 -","2","0.125","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.041","0.0297","","","0.0648","0.0687","","","","","","0.933","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018284","7.115","0.003","4.933","0.002","8.908","0.004","90","","90","","90","","312.7","0.2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","diyttrium gold","","- Au Y2 -","- Au Y2 -","- Au4 Y8 -","4","0.5","FN3086","Chai, Ping; Corbett, John D.","Two new compounds, β-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au","Acta Crystallographica Section C","2011","67","11","i53","i55","10.1107/S010827011103589X","","","0.71073","MoKα","","0.0314","0.0258","","","0.056","0.0578","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018285","14.9026","0.0015","7.8804","0.0008","7.4012","0.0007","90","","104.836","0.001","90","","840.21","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,5-bis(bromomethyl)-1,3-dithiol-2-one","","- C5 H4 Br2 O S2 -","- C5 H4 Br2 O S2 -","- C20 H16 Br8 O4 S8 -","4","0.5","FN3090","Arumugam, Kuppuswamy; Clark, Daniel Seth; Mague, Joel T.; Donahue, James P.","The dithiolene ligand and tetrathiafulvalene precursor molecules 4,5-bis(bromomethyl)-1,3-dithiol-2-one and 4,5-bis[(dihydroxyphosphoryl)methyl]-1,3-dithiol-2-one","Acta Crystallographica Section C","2011","67","11","o446","o449","10.1107/S0108270111040431","","","0.71073","MoKα","","0.018","0.0164","","","0.043","0.0435","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018286","15.078","0.003","8.1736","0.0014","8.3628","0.0015","90","","99.188","0.002","90","","1017.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,5-bis[(dihydroxyphosphoryl)methyl]-1,3-dithiol-2-one","","- C5 H8 O7 P2 S2 -","- C5 H8 O7 P2 S2 -","- C20 H32 O28 P8 S8 -","4","0.5","FN3090","Arumugam, Kuppuswamy; Clark, Daniel Seth; Mague, Joel T.; Donahue, James P.","The dithiolene ligand and tetrathiafulvalene precursor molecules 4,5-bis(bromomethyl)-1,3-dithiol-2-one and 4,5-bis[(dihydroxyphosphoryl)methyl]-1,3-dithiol-2-one","Acta Crystallographica Section C","2011","67","11","o446","o449","10.1107/S0108270111040431","","","0.71073","MoKα","","0.0254","0.024","","","0.0676","0.0686","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018287","13.9959","0.0005","13.9959","0.0005","13.9959","0.0005","90","","90","","90","","2741.59","0.17","123","2","123","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","cobalt(II) dicarbonate trisodium chloride","","- C2 Cl Co Na3 O6 -","- C2 Cl Co Na3 O6 -","- C32 Cl16 Co16 Na48 O96 -","16","0.166667","FN3091","Zheng, Yanzhen; Ellern, Arkady; Kögerler, Paul","A spin-frustrated cobalt(II) carbonate pyrochlore network","Acta Crystallographica Section C","2011","67","11","i56","i58","10.1107/S0108270111043605","","","0.71073","MoKα","","0.0157","0.0155","","","0.0467","0.0468","","","","","","1.301","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018288","18.068","0.004","9.346","0.002","18.209","0.004","90","","96.421","0.006","90","","3055.5","1.2","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ~2~-benzene-1,2,4,5-tetracarboxylato)bis[μ~2~-1,3- bis(4-pyridyl)propane]dicobalt(II)} pentahydrate]","","- C59 H68 Co2 N6 O25 -","- C59 H68 Co2 N6 O25 -","- C118 H136 Co4 N12 O50 -","2","0.5","GG3260","Atria, Ana María; Corsini, Gino; Garland, Maria Teresa; Baggio, Ricardo","Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ~2~-5-carboxybenzene-1,2,4-tricarboxylato)bis[μ~2~-1,3-bis(4-pyridyl)propane]dicobalt(II)} pentahydrate]","Acta Crystallographica Section C","2011","67","11","m367","m370","10.1107/S0108270111043551","","","0.71073","MoKα","","0.057","0.0423","","","0.1054","0.115","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018289","12.5738","0.0001","12.5738","0.0001","19.5895","0.0003","90","","90","","90","","3097.11","0.06","100","1","100","1","","","","","","","","5","P -4 21 c","P -4 2n","114","","poly[dicaesium(I) hexaaquacobalt(II) [octaaqua-tetra-μ-citrato-hexacobalt(II)] dodecahydrate]","","- C24 H68 Co7 Cs2 O54 -","- C24 H56 Co7 Cs2 O54 -","- C48 H112 Co14 Cs4 O108 -","2","0.25","GZ3201","Falvello, Larry R.; Forcén-Vázquez, Elena; Mayoral, Isabel; Tomás, Milagros; Palacio, Fernando","A square two-dimensional polymer of cobalt citrate cubanes","Acta Crystallographica Section C","2011","67","11","m359","m363","10.1107/S0108270111043587","","","0.71073","MoKα","","0.0454","0.0372","","","0.0918","0.0935","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018290","12.6198","0.0003","7.8465","0.0002","10.7699","0.0003","90","","92.2261","0.0017","90","","1065.64","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(<i>Z</i>)-2-(Methylsulfanyl)ethenyl]-1-phenyl-1<i>H</i>-1,2,3-triazole","","- C11 H11 N3 S -","- C11 H11 N3 S -","- C44 H44 N12 S4 -","4","1","GZ3202","Stöger, Berthold; Lumpi, Daniel; Fröhlich, Johannes","4-[(<i>Z</i>)-2-(Methylsulfanyl)ethenyl]-1-phenyl-1<i>H</i>-1,2,3-triazole: an order‒disorder (OD) interpretation of twinning","Acta Crystallographica Section C","2011","67","11","o464","o468","10.1107/S0108270111043083","","","0.71073","MoKα","","0.0718","0.0479","","","0.1009","0.1114","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018291","11.817","0.003","9.871","0.002","14.106","0.003","90","","95.305","0.004","90","","1638.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-2-(carboxylatomethyl)benzoato- κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2^]-bis(1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II)]","","- C15 H14 Cu N4 O4 -","- C15 H14 Cu N4 O4 -","- C60 H56 Cu4 N16 O16 -","4","1","KU3055","Atria, Ana María; Corsini, Gino; Garland, Maria Teresa; Baggio, Ricardo","Poly[[μ~3~-2-(carboxylatomethyl)benzoato-κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2^]bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]","Acta Crystallographica Section C","2011","67","11","m342","m345","10.1107/S0108270111041187","","","0.71073","MoKα","","0.0573","0.0417","","","0.0992","0.1091","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018292","36.627","0.004","12.5071","0.001","7.5769","0.0004","90","","90","","90","","3471","0.5","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro- 1,3-benzothiazol-2-imine","","- C21 H14 N4 O2 S -","- C21 H14 N4 O2 S -","- C168 H112 N32 O16 S8 -","8","1","LG3066","Vallcorba, Oriol; Latorre, Sonia; Alcobé, Xavier; Miravitlles, Carles; Rius, Jordi","(<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro-1,3-benzothiazol-2-imine from laboratory powder diffraction data","Acta Crystallographica Section C","2011","67","11","o425","o427","10.1107/S0108270111039916","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.667","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018293","12.8309","0.0002","14.0813","0.0002","19.1638","0.0003","73.0175","0.0006","76.4127","0.0005","86.6877","0.0006","3218.56","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(dimethylamine‒dimethylaminoborane‒borane- κ^2^<i>H</i>,<i>H</i>')dihydridobis(triisopropylphosphane- κ<i>P</i>)rhodium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C54 H74 B3 F24 N2 P2 Rh -","- C54 H74 B3 F24 N2 P2 Rh -","- C108 H148 B6 F48 N4 P4 Rh2 -","2","1","OV3008","Chaplin, Adrian B.; Weller, Andrew S.","A rhodium(III) complex of the linear diborazine H~3~B·NMe~2~BH~2~·NMe~2~H: an intermediate in the dehydrocoupling of H~3~B·NMe~2~H","Acta Crystallographica Section C","2011","67","11","m355","m358","10.1107/S0108270111043447","","","0.71073","MoKα","","0.0612","0.0472","","","0.1192","0.1293","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018294","5.4761","0.0011","10.477","0.002","19.896","0.004","75.31","0.03","88.67","0.03","78.54","0.03","1081.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-bis(1<i>H</i>-benzimidazole-2-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>)bis(ethanol-κ<i>O</i>)cadmium","","- C20 H22 Cd N4 O6 -","- C20 H22 Cd N4 O6 -","- C40 H44 Cd2 N8 O12 -","2","1","QS3005","Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang","Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds","Acta Crystallographica Section C","2011","67","11","m346","m350","10.1107/S0108270111041837","","","0.71073","MoKα","","0.0672","0.0557","","","0.1547","0.1611","","","","","","1.17","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018295","10.321","0.002","12.923","0.003","11.495","0.002","90","","112.21","0.03","90","","1419.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(1<i>H</i>- benzimidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II)","","- C30 H22 N8 Ni O4 -","- C30 H22 N8 Ni O4 -","- C60 H44 N16 Ni2 O8 -","2","0.5","QS3005","Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang","Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds","Acta Crystallographica Section C","2011","67","11","m346","m350","10.1107/S0108270111041837","","","0.71073","MoKα","","0.0412","0.0349","","","0.0917","0.0963","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018296","11.1825","0.0018","6.9752","0.0012","8.793","0.0015","90","","90","","90","","685.9","0.2","297","2","297","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Racemic epi-inosose","(2<i>RS</i>,3<i>SR</i>,5<i>SR</i>,6<i>SR</i>)-<i>epi</i>-inosose","","- C6 H10 O6 -","- C6 H10 O6 -","- C24 H40 O24 -","4","1","SF3158","Krishnaswamy, Shobhana; Patil, Madhuri T.; Shashidhar, Mysore S.","Comparison of racemic <i>epi</i>-inosose and ({-})-<i>epi</i>-inosose","Acta Crystallographica Section C","2011","67","11","o435","o438","10.1107/S0108270111039412","","","0.71073","MoKα","","0.0265","0.0263","","","0.0679","0.068","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018297","7.6094","0.0005","12.9888","0.0006","20.8838","0.0014","90","","99.179","0.005","90","","2037.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-aminopyrimidine‒6-propyl-2-thiouracil (1/2)","2-aminopyrimidine bis(6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)","","- C18 H25 N7 O2 S2 -","- C18 H25 N7 O2 S2 -","- C72 H100 N28 O8 S8 -","4","1","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O <i>versus</i> N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.047","0.0366","","","0.0983","0.1047","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018298","37.9355","0.0012","76.88","0.003","10.5666","0.0003","90","","90","","90","","30817.3","1.8","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","<i>N</i>-(6-acetamidopyridin-2-yl)acetamide‒6-propyl-2-thiouracil (1/2)","<i>N</i>-(6-acetamidopyridin-2-yl)acetamide bis(6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)","","- C23 H31 N7 O4 S2 -","- C23 H31 N7 O4 S2 -","- C1104 H1488 N336 O192 S96 -","48","3","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O <i>versus</i> N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.0742","0.0468","","","0.0891","0.0966","","","","","","0.906","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018299","10.434","0.0006","11.132","0.0006","28.709","0.0017","90","","90","","90","","3334.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-propyl-2-thiouracil","6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O <i>versus</i> N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.0918","0.0463","","","0.0815","0.0926","","","","","","0.909","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018300","14.4471","0.0018","7.5774","0.0007","11.7526","0.0015","90","","107.279","0.01","90","","1228.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine","","- C12 H13 Cl N4 -","- C12 H13 Cl N4 -","- C48 H52 Cl4 N16 -","4","1","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.1469","0.131","","","0.3237","0.3333","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018301","13.5596","0.0009","7.7212","0.0004","16.287","0.0011","90","","111.609","0.005","90","","1585.35","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine dimethyl sulfoxide monosolvate","","- C14 H19 Cl N4 O S -","- C14 H19 Cl N4 O S -","- C56 H76 Cl4 N16 O4 S4 -","4","1","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.0475","0.0409","","","0.1048","0.1096","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018302","9.5221","0.0014","10.8372","0.0015","18.65","0.002","101.937","0.011","99.555","0.011","98.892","0.012","1820.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine <i>N</i>-methylpyrrolidin-2-one monosolvate","","- C17 H22 Cl N5 O -","- C17 H22 Cl N5 O -","- C68 H88 Cl4 N20 O4 -","4","2","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.1571","0.0787","","","0.1915","0.2264","","","","","","0.926","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018303","6.7742","0.0006","9.2265","0.0008","17.3345","0.0015","95.363","0.007","92.435","0.007","93.783","0.007","1075.06","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5,5'-(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diyl)bis(azanediyl)bis(1- methylpyrrolidin-2-one)","","- C22 H27 Cl N6 O2 -","- C22 H27 Cl N6 O2 -","- C44 H54 Cl2 N12 O4 -","2","1","SK3416","Tutughamiarso, Maya; Bolte, Michael","A new polymorph and two pseudopolymorphs of pyrimethamine","Acta Crystallographica Section C","2011","67","11","o428","o434","10.1107/S0108270111038868","","","0.71073","MoKα","","0.1026","0.0613","","","0.1461","0.1607","","","","","","0.896","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018304","8.1262","0.0014","10.5663","0.0019","10.8076","0.0019","73.15","0.003","78.568","0.003","83.055","0.003","868.5","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","poly[[μ~2~-2-(2,2'-bi-1<i>H</i>-imidazoly-1-yl)acetato]cadmium]","","- C16 H14 Cd N8 O4 -","- C16 H14 Cd N8 O4 -","- C32 H28 Cd2 N16 O8 -","2","1","WQ3007","Tao, Jian-Qing; Wang, Jun; Xu, Xiao-Juan","The coordination polymer poly[bis[μ~2~-2-(2,2'-bi-1<i>H</i>-imidazol-1-yl)acetato]cadmium]","Acta Crystallographica Section C","2011","67","11","m364","m366","10.1107/S0108270111042570","","","0.71073","MoKα","","0.0367","0.0315","","","0.0637","0.0653","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018305","10.059","0.002","13.618","0.003","13.544","0.004","90","","104.446","0.002","90","","1796.6","0.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate","","- C17 H13 F6 Fe O3 P S -","- C17 H13 F6 Fe O3 P S -","- C68 H52 F24 Fe4 O12 P4 S4 -","4","1","YP3006","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide","Acta Crystallographica Section C","2011","67","11","m351","m354","10.1107/S0108270111042715","","","0.71073","MoKα","","0.0569","0.0462","","","0.0863","0.0891","","","","","","1.284","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018306","7.2067","0.001","7.9568","0.0011","8.936","0.0013","102.475","0.001","95.493","0.002","93.399","0.002","496.33","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Phenoxathiin 10,10-dioxide","Phenoxathiin 10,10-dioxide","","- C12 H8 O3 S -","- C12 H8 O3 S -","- C24 H16 O6 S2 -","2","1","YP3006","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","(η^5^-Cyclopentadienyl)(η^6^-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide","Acta Crystallographica Section C","2011","67","11","m351","m354","10.1107/S0108270111042715","","","0.71073","MoKα","","0.0328","0.0296","","","0.07","0.072","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018307","7.7055","0.0001","13.001","0.0002","15.7794","0.0003","90","","103.224","0.001","90","","1538.85","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7-dihydro-1,3-dimethyl-1<i>H</i>-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C56 H64 N32 O16 -","8","2","BM3111","Khamar, Dikshitkumar; Pritchard, Robin Gavin; Bradshaw, Ian James; Hutcheon, Gillian Ann; Seton, Linda","Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains","Acta Crystallographica Section C","2011","67","12","o496","o499","10.1107/S010827011104786X","","","0.71073","MoKα","","0.0715","0.0498","","","0.1207","0.1381","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018308","13.158","0.002","15.63","0.003","3.854","0.001","90","","90","","90","","792.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,7-dihydro-1,3-dimethyl-1<i>H</i>-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","BM3111","Khamar, Dikshitkumar; Pritchard, Robin Gavin; Bradshaw, Ian James; Hutcheon, Gillian Ann; Seton, Linda","Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains","Acta Crystallographica Section C","2011","67","12","o496","o499","10.1107/S010827011104786X","","","0.71073","MoKα","","0.1411","0.0881","","","0.1726","0.2022","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018309","10.641","0.005","5.134","0.002","19.096","0.008","90","","90","","90","","1043.2","0.8","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,5-bis(thiophen-2-yl)-1,3,4-selenadiazole","","- C10 H6 N2 S2 Se -","- C10 H6 N2 S2 Se -","- C40 H24 N8 S8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0687","0.0538","","","0.1031","0.1156","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018310","13.382","0.005","5.5247","0.0018","16.524","0.005","90","","94.528","0.008","90","","1217.8","0.7","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-5-phenyl-1,3,4-selenadiazole","","- C14 H9 Cl N2 Se -","- C14 H9 Cl N2 Se -","- C56 H36 Cl4 N8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0902","0.0786","","","0.2124","0.2257","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018311","8.5036","0.0015","25.21","0.005","11.116","0.002","90","","96.814","0.005","90","","2366.2","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(furan-2-yl)-5-(<i>p</i>-tolyl)-1,3,4-selenadiazole","","- C13 H10 N2 O Se -","- C13 H10 N2 O Se -","- C104 H80 N16 O8 Se8 -","8","2","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0768","0.0572","","","0.1316","0.1468","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018312","13.036","0.004","5.465","0.0014","16.274","0.005","90","","101.86","0.007","90","","1134.6","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-diphenyl-1,3,4-selenadiazole","","- C14 H10 N2 Se -","- C14 H10 N2 Se -","- C56 H40 N8 Se4 -","4","1","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0484","0.0411","","","0.0751","0.0806","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018313","26.763","0.01","5.796","0.002","7.213","0.003","90","","103.885","0.009","90","","1086.2","0.7","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-diphenyl-1,3,4-selenadiazole","","- C14 H10 N2 Se -","- C14 H10 N2 Se -","- C56 H40 N8 Se4 -","4","0.5","BM3112","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent","Acta Crystallographica Section C","2011","67","12","o509","o514","10.1107/S0108270111049900","","","0.71073","MoKα","","0.0742","0.0655","","","0.1552","0.1665","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018314","7.7256","0.0004","19.3792","0.0011","15.2486","0.0008","90","","94.404","0.002","90","","2276.2","0.2","180","1","180","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","chloranilic acid‒pyrrolidin-2-one (1/1)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒pyrrolidin-2-one (1/1)","","- C10 H9 Cl2 N O5 -","- C10 H9 Cl2 N O5 -","- C80 H72 Cl16 N8 O40 -","8","2","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0445","0.0384","","","0.1041","0.1079","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018315","4.9665","0.0003","7.4767","0.0004","11.8445","0.0006","106.79","0.0019","90.299","0.002","108.734","0.002","396.43","0.04","180","1","180","1","","","","","","","","5","P -1","-P 1","2","chloranilic acid‒pyrrolidin-2-one (1/2)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒pyrrolidin-2-one (1/2)","","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","1","0.5","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0326","0.0295","","","0.0797","0.0814","","","","","","1.114","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018316","9.41079","0.00017","8.069","0.0004","18.1026","0.0003","90","","115.14","0.0007","90","","1244.42","0.07","180","1","180","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","chloranilic acid‒piperidin-2-one (1/1)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒piperidin-2-one (1/1)","","- C11 H11 Cl2 N O5 -","- C11 H11 Cl2 N O5 -","- C44 H44 Cl8 N4 O20 -","4","1","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0302","0.029","","","0.082","0.083","","","","","","1.061","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018317","17.8438","0.0005","5.4253","0.0003","19.5958","0.0005","90","","114.066","0.0007","90","","1732.14","0.12","180","1","180","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","chloranilic acid‒piperidin-2-one (1/2)","2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione‒piperidin-2-one (1/2)","","- C16 H20 Cl2 N2 O6 -","- C16 H20 Cl2 N2 O6 -","- C64 H80 Cl8 N8 O24 -","4","0.5","FG3233","Gotoh, Kazuma; Ishida, Hiroyuki","Hydrogen-bonded structures of the 1:1 and 1:2 compounds of chloranilic acid with pyrrolidin-2-one and piperidin-2-one","Acta Crystallographica Section C","2011","67","12","o500","o504","10.1107/S0108270111048165","","","0.71075","MoKα","","0.0351","0.0312","","","0.0821","0.0831","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018318","8.1014","0.0005","11.3554","0.001","13.5762","0.0011","102.755","0.007","90.013","0.008","108.268","0.007","1153.47","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4- phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one","","- C29 H22 Cl N3 O -","- C29 H22 Cl N3 O -","- C58 H44 Cl2 N6 O2 -","2","1","FG3236","Portilla, Jaime; Lizarazo, Carolina; Cobo, Justo; Glidewell, Christopher","A π-stacked chain of hydrogen-bonded dimers in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one and a π-stacked sheet of hydrogen-bonded chains in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-(4-methoxyphenyl)indeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one","Acta Crystallographica Section C","2011","67","12","o479","o483","10.1107/S0108270111045082","","","0.71073","MoKα","","0.0658","0.0429","","","0.088","0.0982","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018319","11.1911","0.0009","11.4258","0.0008","20.095","0.002","97.411","0.006","93.272","0.007","107.635","0.006","2415.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4- (4-methoxyphenyl)indeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-\ 5(1<i>H</i>)-one","","- C30 H24 Cl N3 O2 -","- C30 H24 Cl N3 O2 -","- C120 H96 Cl4 N12 O8 -","4","2","FG3236","Portilla, Jaime; Lizarazo, Carolina; Cobo, Justo; Glidewell, Christopher","A π-stacked chain of hydrogen-bonded dimers in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one and a π-stacked sheet of hydrogen-bonded chains in 3-<i>tert</i>-butyl-1-(4-chlorophenyl)-4-(4-methoxyphenyl)indeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one","Acta Crystallographica Section C","2011","67","12","o479","o483","10.1107/S0108270111045082","","","0.71073","MoKα","","0.0935","0.0484","","","0.0963","0.1152","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018320","7","0.002","13.401","0.004","8.805","0.003","90","","95.183","0.004","90","","822.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate","","- C15 H17 Cl F6 Fe N P -","- C15 H17 Cl F6 Fe N P -","- C30 H34 Cl2 F12 Fe2 N2 P2 -","2","1","FN3089","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate and (η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","Acta Crystallographica Section C","2011","67","12","m391","m394","10.1107/S0108270111049407","","","0.71073","MoKα","","0.0906","0.0805","","","0.1994","0.2064","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018321","10.9764","0.0011","9.4221","0.001","19.393","0.002","90","","91.608","0.001","90","","2004.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","","- C21 H22 F6 Fe N O P -","- C21 H22 F6 Fe N O P -","- C84 H88 F24 Fe4 N4 O4 P4 -","4","1","FN3089","Hendsbee, Arthur D.; Masuda, Jason D.; Piórko, Adam","[η^6^-1-Chloro-2-(pyrrolidin-1-yl)benzene](η^5^-cyclopentadienyl)iron(II) hexafluoridophosphate and (η^5^-cyclopentadienyl){2-[η^6^-2-(pyrrolidin-1-yl)phenyl]phenol}iron(II) hexafluoridophosphate","Acta Crystallographica Section C","2011","67","12","m391","m394","10.1107/S0108270111049407","","","0.71073","MoKα","","0.052","0.0372","","","0.1088","0.1217","","","","","","0.854","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018322","14.0867","0.0012","9.4898","0.0007","12.2656","0.0009","90","","115.381","0.004","90","","1481.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-dichloro-9<i>H</i>-purine","","- C5 H2 Cl2 N4 -","- C5 H2 Cl2 N4 -","- C40 H16 Cl16 N32 -","8","2","GG3264","García-Rubiño, M. Eugenia; Choquesillo-Lazarte, Duane; Núñez, M. C.; Campos, Joaquín M.","Two tautomeric polymorphs of 2,6-dichloropurine","Acta Crystallographica Section C","2011","67","12","o484","o486","10.1107/S0108270111043575","","","1.54178","CuKα","","0.0792","0.0512","","","0.1339","0.1539","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018323","5.5716","0.0009","9.582","0.0016","13.159","0.002","90","","90","","90","","702.5","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-dichloro-7<i>H</i>-purine","","- C5 H2 Cl2 N4 -","- C5 H2 Cl2 N4 -","- C20 H8 Cl8 N16 -","4","1","GG3264","García-Rubiño, M. Eugenia; Choquesillo-Lazarte, Duane; Núñez, M. C.; Campos, Joaquín M.","Two tautomeric polymorphs of 2,6-dichloropurine","Acta Crystallographica Section C","2011","67","12","o484","o486","10.1107/S0108270111043575","","","0.71073","MoKα","","0.0378","0.0326","","","0.0694","0.0709","","","","","","1.381","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018324","8.0821","0.0008","11.2521","0.0011","12.9231","0.0013","106.242","0.008","106.063","0.009","106.102","0.008","1000.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium) γ-octamolybdate(VI) dihydrate]","","- C20 H36 Mo8 N8 O28 -","- C20 H36 Mo8 N8 O28 -","- C20 H36 Mo8 N8 O28 -","1","0.5","KU3054","Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.","New organic‒inorganic frameworks incorporating iso- and heteropolymolybdate units and a 3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium multiple hydrogen-bond donor","Acta Crystallographica Section C","2011","67","12","m378","m383","10.1107/S0108270111047159","","","0.71073","MoKα","","0.0314","0.0242","","","0.0583","0.06","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018325","22.5418","0.0014","20.4965","0.001","12.5203","0.0008","90","","110.27","0.008","90","","5426.5","0.6","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","bis(3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium) α-dodecamolybdo(VI)silicate tetrahydrate","","- C20 H40 Mo12 N8 O44 Si -","- C20 H40 Mo12 N8 O44 Si -","- C80 H160 Mo48 N32 O176 Si4 -","4","1","KU3054","Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.","New organic‒inorganic frameworks incorporating iso- and heteropolymolybdate units and a 3,3',5,5'-tetramethyl-4,4'-bi-1<i>H</i>-pyrazole-2,2'-diium multiple hydrogen-bond donor","Acta Crystallographica Section C","2011","67","12","m378","m383","10.1107/S0108270111047159","","","0.71073","MoKα","","0.0323","0.0269","","","0.0552","0.056","","","","","","0.907","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018326","4.9301","0.0008","4.9301","0.0008","27.561","0.006","90","","90","","120","","580.15","0.18","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","dodecalithium dodecacopper tetradecaaluminium","","- Al14.37 Cu12.6 Li12 -","- Al14.37 Cu12.6 Li12 -","- Al14.37 Cu12.6 Li12 -","1","0.0277778","KU3057","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Chumak, Ihor; Ehrenberg, Helmut","Li~12~Cu~12.60~Al~14.37~: a new ternary derivative of the binary Laves phases","Acta Crystallographica Section C","2011","67","12","i59","i62","10.1107/S0108270111048566","","","0.71073","MoKα","","0.0571","0.0556","","","0.1568","0.1584","","","","","","1.252","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018327","16.3418","0.0002","16.3418","0.0002","16.6448","0.0002","90","","90","","90","","4445.07","0.09","120","2","120","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","<i>trans</i>-bis(nitrito-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)ruthenium(II) dihydrate","","- C20 H24 N6 O6 Ru -","- C20 H24 N6 O6 Ru -","- C160 H192 N48 O48 Ru8 -","8","0.25","MX3053","Buron-Le Cointe, Marylise; Cormary, Beno\?ît; Toupet, Loïc; Malfant, Isabelle","The three-dimensional intermolecular network formed <i>via</i> water molecules in <i>trans</i>-bis(nitrito-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)ruthenium(II) dihydrate","Acta Crystallographica Section C","2011","67","12","m375","m377","10.1107/S0108270111044672","","","0.71073","MoKα","","0.0287","0.018","","","0.0473","0.0491","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018328","9.9037","0.0004","11.5575","0.0004","16.727","0.0006","90","","90","","90","","1914.61","0.12","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-Sulfoethylammonium hexafluoridoantimonate","","- C2 H8 F6 N O3 S Sb -","- C2 H8 F6 N O3 S Sb -","- C16 H64 F48 N8 O24 S8 Sb8 -","8","1","OV3009","Hopfinger, Mathias; Lux, Karin; Schubert, Felix; Kornath, Andreas","2-Sulfoethylammonium hexafluoridoantimonate","Acta Crystallographica Section C","2011","67","12","m400","m402","10.1107/S0108270111047548","","","0.71073","MoKα","","0.0243","0.0183","","","0.0421","0.043","","","","","","0.914","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018329","12.735","0.0016","11.6945","0.0015","15.3357","0.0018","90","","93.546","0.003","90","","2279.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sulfapyridine III","4-amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide","","- C11 H11 N3 O2 S -","- C11 H11 N3 O2 S -","- C88 H88 N24 O16 S8 -","8","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0399","0.0347","","","0.0923","0.096","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018330","9.0258","0.001","9.9264","0.0012","17.988","0.002","90","","100.72","0.003","90","","1583.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfapyridine dioxane solvate","4-amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide 1,3-dioxane monosolvate","","- C15 H19 N3 O4 S -","- C15 H19 N3 O4 S -","- C60 H76 N12 O16 S4 -","4","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0548","0.0504","","","0.1536","0.1571","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018331","11.212","0.002","12.449","0.002","11.6209","0.0019","90","","99.888","0.005","90","","1597.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfapyridine tetrahydrofuran solvate","4-amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide tetrahydrofuran monosolvate","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C60 H76 N12 O12 S4 -","4","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0664","0.053","","","0.1531","0.1625","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018332","8.6639","0.0016","12.586","0.002","15.833","0.003","90","","105.447","0.006","90","","1664.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfapyridine piperidine solvate","piperidin-1-ium 4-amino-<i>N</i>-(pyridin-2-yl)benzenesulfonamidate","","- C16 H22 N4 O2 S -","- C16 H22 N4 O2 S -","- C64 H88 N16 O8 S4 -","4","1","QS3006","Pratt, Jamal; Hutchinson, Janna; Klein Stevens, Cheryl L.","Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173K","Acta Crystallographica Section C","2011","67","12","o487","o491","10.1107/S0108270111041825","","","0.71073","MoKα","","0.0576","0.0374","","","0.0826","0.0902","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018333","9.8901","0.0014","10.4992","0.0014","15.883","0.002","90","","96.631","0.002","90","","1638.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-pentaaqua-1κ^5^<i>O</i>-(μ-2-sulfidoacetato- 1:2κ^3^<i>O</i>:<i>O</i>',<i>S</i>)bis(2-sulfidoacetato- 2κ^2^<i>O</i>,<i>S</i>)manganese(II)tin(IV)","","- C6 H16 Mn O11 S3 Sn -","- C6 H16 Mn O11 S3 Sn -","- C24 H64 Mn4 O44 S12 Sn4 -","4","1","QS3008","Song, Li; Ling, Chun; Wang, Xinping","A novel heterometallic dinuclear compound: <i>rac</i>-pentaaqua-1κ^5^<i>O</i>-(μ-2-sulfidoacetato-1:2κ^3^<i>O</i>:<i>O</i>',<i>S</i>)bis(2-sulfidoacetato-2κ^2^<i>O</i>,<i>S</i>)manganese(II)tin(IV)","Acta Crystallographica Section C","2011","67","12","m384","m386","10.1107/S0108270111047329","","","0.71075","MoKα","","0.0199","0.0183","","","0.0428","0.0438","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018334","14.178","0.004","9.481","0.003","15.901","0.004","90","","105.772","0.004","90","","2057","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(μ~6~-2,4,6- trimethylbenzene-1,3,5-tricarboxylato)tricadmium(II)]","","- C44 H34 Cd3 N4 O12 -","- C44 H34 Cd3 N4 O12 -","- C88 H68 Cd6 N8 O24 -","2","0.5","SK3421","Guo, Jie; Zhang, Liang-Liang; He, Hai-Yan; Li, Xiao-Wei; Sun, Di","Poly[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(μ~6~-2,4,6-trimethylbenzene-1,3,5-tricarboxylato)tricadmium(II)], a two-dimensional `Kagomé dual' (kgd) sheet structure","Acta Crystallographica Section C","2011","67","12","m387","m390","10.1107/S0108270111048591","","","0.71073","MoKα","","0.037","0.0275","","","0.0634","0.0682","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018335","10.8128","0.0008","8.4293","0.0004","10.9321","0.0009","90","","118.192","0.008","90","","878.2","0.12","120","","120","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(3a<i>RS</i>,7a<i>RS</i>)-1,3-dinitroso-2,3,3a,4,5,6,7,7a- octahydro-1<i>H</i>-benzimidazole","","- C7 H12 N4 O2 -","- C7 H12 N4 O2 -","- C28 H48 N16 O8 -","4","1","UK3034","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","The disordered molecular structure of (3a<i>RS</i>,7a<i>RS</i>)-1,3-dinitrosooctahydro-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2011","67","12","o505","o508","10.1107/S0108270111046397","","","1.5418","CuKα","","0.0475","0.0403","","","0.1103","0.1147","","","","","","1.92","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018336","9.0669","0.0018","7.7778","0.0016","30.135","0.006","90","","93.148","0.002","90","","2121.9","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)- <i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","1","UK3036","Tabata, Hideyuki; Kubo, Natsuki; Okuno, Tsunehisa","Two polymorphs of <i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)-<i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine","Acta Crystallographica Section C","2011","67","12","o492","o495","10.1107/S0108270111045951","","","0.71073","MoKα","","0.0684","0.0512","","","0.1213","0.1327","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018337","15.53","0.004","8.831","0.002","17.108","0.004","90","","115.766","0.003","90","","2113","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)- <i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","1","UK3036","Tabata, Hideyuki; Kubo, Natsuki; Okuno, Tsunehisa","Two polymorphs of <i>N</i>^1^,<i>N</i>^4^-bis(5-hydroxypenta-1,3-diynyl)-<i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine","Acta Crystallographica Section C","2011","67","12","o492","o495","10.1107/S0108270111045951","","","0.71073","MoKα","","0.0812","0.0478","","","","0.1107","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018338","13.2648","0.0007","16.6182","0.0009","17.679","0.001","90.557","0.001","110.485","0.001","108.261","0.001","3435.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","<i>cyclo</i>-tetra-μ~2~-hydroxido-dodeca-μ~2~-isobutyrato- κ^24^<i>O</i>:<i>O</i>'-octa-μ~2~-phenolato-octairon(III) phenol hexasolvate monohydrate","","- C132 H166 Fe8 O43 -","- C132 H164 Fe8 O43 -","- C132 H164 Fe8 O43 -","1","0.5","YF3006","Baca, Svetlana G.; Breukers, Stefanie; Ellern, Arkady; Kögerler, Paul","An octanuclear iron(III) isobutyrate wheel","Acta Crystallographica Section C","2011","67","12","m371","m374","10.1107/S010827011104412X","","","0.71073","MoKα","","0.0578","0.0432","","","0.0994","0.1083","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019354","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0145","","","","0.0104","","","","","","0.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019355","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0149","","","","0.0112","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019356","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0166","","","","0.0132","","","","","","0.85","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019357","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0182","","","","0.0165","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019358","11.6103","0.0004","10.7291","0.0003","13.2013","0.0004","90","","90","","90","","1644.46","0.09","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.01","","","","0.0075","","","","","","1.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019359","11.6103","0.0004","10.7291","0.0003","13.2013","0.0004","90","","90","","90","","1644.46","0.09","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0178","","","","0.0201","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019360","13.9783","0.0003","20.2046","0.0005","28.1465","0.0007","90","","90.842","0.001","90","","7948.4","0.3","225","2","225","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H100 B2 N4 O16 P8 Rh2 -","- C68 H100 B2 N4 O16 P8 Rh2 -","- C272 H400 B8 N16 O64 P32 Rh8 -","4","1","","Makal, Anna; Trzop, Elzbieta; Sokolow, Jesse; Kalinowski, Jaroslaw; Benedict, Jason; Coppens, Philip","The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex","Acta Crystallographica Section A Foundations of Crystallography","2011","67","4","319","326","10.1107/S0108767311011883","","","0.71073","MoKα","","0.0401","0.0302","","","0.0761","0.0806","","","","","","1.034","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019362","15.9795","0.0009","21.8889","0.0013","26.8095","0.0018","90","","90","","90","","9377.3","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","B12r","","","- C70 H76.5 Co D33.5 N13 O23.5 P -","- C66.176 H105.862 Co N13 O21.912 P -","- C264.704 H423.448 Co4 N52 O87.648 P4 -","4","1","TM5035","Jogl, Gerwald; Wang, Xiaoping; Mason, Sax A.; Kovalevsky, Andrey; Mustyakimov, Marat; Fisher, Zöe; Hoffman, Christina; Kratky, Christoph; Langan, Paul","High-resolution neutron crystallographic studies of the hydration of the coenzyme cob(II)alamin","Acta Crystallographica Section D Biological Crystallography","2011","67","6","584","591","10.1107/S090744491101496X","","neutron","1.53798","neutron","","0.1231","0.0923","","","0.2363","0.2612","","","","","","1.054","","","","has coordinates,has disorder","209447","2020-10-21","18:00:00",""
"2019465","9.41","","9.41","","9.41","","90","","90","","90","","833.238","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Dimanganese Trioxide","","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","0.333333","","Klein, H.; David, J.","The quality of precession electron diffraction data is higher than necessary for structure solution of unknown crystalline phases","Acta Crystallographica, Section A: Foundations of Crystallography","2011","67","3","297","302","10.1107/S0108767311006581","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176341","2020-10-21","18:00:00",""
"2104880","8.9594","0.0001","8.9594","0.0001","9.5583","0.0001","90","","90","","120","","664.46","0.013","140","2","140","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0216","0.0195","","","0.0467","0.0481","","","","","","1.096","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104881","8.9649","0.0001","8.9649","0.0001","9.5685","0.0001","90","","90","","120","","665.986","0.013","170","2","170","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0226","0.0206","","","0.0492","0.0505","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104882","8.9696","0.0002","8.9696","0.0002","9.5842","0.0001","90","","90","","120","","667.78","0.02","200","2","200","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0245","0.0222","","","0.0564","0.0577","","","","","","1.054","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104883","8.979","0.0001","8.979","0.0001","9.5973","0.0002","90","","90","","120","","670.094","0.018","230","2","230","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0255","0.0233","","","0.0594","0.0608","","","","","","1.083","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104884","8.9855","0.0002","8.9855","0.0002","9.6043","0.0001","90","","90","","120","","671.55","0.02","260","2","260","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0263","0.0238","","","0.0614","0.0631","","","","","","1.048","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104885","8.9929","0.0002","8.9929","0.0002","9.6101","0.0002","90","","90","","120","","673.07","0.03","290","2","290","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 O4 S Zn -","- C6 H24 N6 O3.99996 S Zn -","- C12 H48 N12 O7.99992 S2 Zn2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0258","0.0233","","","0.0621","0.0635","","","","","","1.057","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104886","8.9387","0.0001","8.9387","0.0001","9.5766","0.0001","90","","90","","120","","662.66","0.013","190","2","190","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0241","0.0221","","","0.0547","0.0557","","","","","","1.108","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104887","8.9445","0.0001","8.9445","0.0001","9.5826","0.0001","90","","90","","120","","663.936","0.013","210","2","210","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0243","0.0219","","","0.0557","0.057","","","","","","1.091","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104888","8.9513","0.0001","8.9513","0.0001","9.5876","0.0001","90","","90","","120","","665.293","0.013","230","2","230","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0255","0.0233","","","0.0591","0.0603","","","","","","1.115","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104889","8.9572","0.0001","8.9572","0.0001","9.5926","0.0001","90","","90","","120","","666.517","0.013","250","2","250","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0266","0.0238","","","0.0587","0.0609","","","","","","1.097","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104890","8.9664","0.0001","8.9664","0.0001","9.5996","0.0001","90","","90","","120","","668.375","0.013","270","2","270","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cu N6 O4 S -","- C6 H24 Cu N6 O3.99996 S -","- C12 H48 Cu2 N12 O7.99992 S2 -","2","0.166667","BK5101","Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin","Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate","Acta Crystallographica Section B","2011","67","1","53","62","10.1107/S0108768110054571","","","0.71073","MoKα","","0.0279","0.0252","","","0.0637","0.0651","","","","","","1.122","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104891","23.0354","0.0003","23.0354","0.0003","29.6005","0.0003","90","","90","","90","","15706.9","0.3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-manganese(ii)-di-vanadium","","- C12 H16 Mn N8 O6 V2 -","- C12 H16 Mn N8 O6 V2 -","- C384 H512 Mn32 N256 O192 V64 -","32","2","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0422","0.0316","","","","0.0458","","","1.4695","","","1.4695","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104892","23.0473","0.0003","23.0473","0.0003","29.6521","0.0003","90","","90","","90","","15750.5","0.3","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-manganese(ii)-di-vanadium","","- C12 H16 Mn N8 O6 V2 -","- C12 H16 Mn N8 O6 V2 -","- C384 H512 Mn32 N256 O192 V64 -","32","2","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0443","0.0326","","","","0.0463","","","1.4507","","","1.4507","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104893","23.0645","0.0003","23.0645","0.0003","29.6897","0.0003","90","","90","","90","","15794.1","0.3","279","2","279","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-manganese(ii)-di-vanadium","","- C12 H16 Mn N8 O6 V2 -","- C12 H16 Mn N8 O6 V2 -","- C384 H512 Mn32 N256 O192 V64 -","32","2","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0454","0.0348","","","","0.0501","","","1.5603","","","1.5603","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104894","16.3271","0.0002","16.3271","0.0002","14.8304","0.0002","90","","90","","90","","3953.4","0.09","283","2","283","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-manganese(ii)-di-vanadium","","- C12 H16 Mn N8 O6 V2 -","- C12 H16 Mn N8 O6 V2 -","- C96 H128 Mn8 N64 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0644","0.0478","","","","0.0746","","","2.5912","","","2.5912","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104895","16.3615","0.0002","16.3615","0.0002","14.803","0.0002","90","","90","","90","","3962.74","0.09","295","2","295","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-manganese(ii)-di-vanadium","","- C12 H16 Mn N8 O6 V2 -","- C12 H16 Mn N8 O6 V2 -","- C96 H128 Mn8 N64 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0686","0.04","","","","0.0601","","","2.0553","","","2.0553","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104896","22.8606","0.0003","22.8606","0.0003","29.2658","0.0003","90","","90","","90","","15294.5","0.3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-cobalt(ii)-di-vanadium","","- C12 H16 Co N8 O6 V2 -","- C12 H16 Co N8 O6 V2 -","- C384 H512 Co32 N256 O192 V64 -","32","2","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0449","0.035","","","","0.0561","","","","","","1.8449","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104897","22.8863","0.0003","22.8863","0.0003","29.27","0.0003","90","","90","","90","","15331.1","0.3","170","2","170","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-cobalt(ii)-di-vanadium","","- C12 H16 Co N8 O6 V2 -","- C12 H16 Co N8 O6 V2 -","- C384 H512 Co32 N256 O192 V64 -","32","2","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0501","0.0399","","","","0.0647","","","","","","2.0952","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104898","16.2544","0.0002","16.2544","0.0002","14.5532","0.0002","90","","90","","90","","3845.04","0.09","180","2","180","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-cobalt(ii)-di-vanadium","","- C12 H16 Co N8 O6 V2 -","- C12 H16 Co N8 O6 V2 -","- C96 H128 Co8 N64 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0447","0.032","","","","0.0495","","","","","","1.8045","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104899","16.2666","0.0003","16.2666","0.0003","14.6057","0.0002","90","","90","","90","","3864.7","0.11","295","2","295","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-cobalt(ii)-di-vanadium","","- C12 H16 Co N8 O6 V2 -","- C12 H16 Co N8 O6 V2 -","- C96 H128 Co8 N64 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0453","0.0333","","","","0.047","","","","","","1.5614","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104900","16.1379","0.0003","14.3657","0.0002","16.3422","0.0004","90","","90.1205","0.0009","90","","3788.64","0.13","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-nickel(ii)-di-vanadium","","- C12 H16 N8 Ni O6 V2 -","- C12 H16 N8 Ni O6 V2 -","- C96 H128 N64 Ni8 O48 V16 -","8","2","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0591","0.0389","","","","0.0529","","","","","","1.6677","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104901","16.1988","0.0002","16.1988","0.0002","14.5589","0.0002","90","","90","","90","","3820.27","0.08","295","2","295","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","catena-tetrakis(imidazole)-tetrakis(μ~2~-oxo)-dioxo-nickel(ii)-di-vanadium","","- C12 H16 N8 Ni O6 V2 -","- C12 H16 N8 Ni O6 V2 -","- C96 H128 N64 Ni8 O48 V16 -","8","1","GW5007","Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.","Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole","Acta Crystallographica Section B","2011","67","1","41","52","10.1107/S0108768110042941","","","0.71073","MoKα","","0.0444","0.0314","","","","0.0481","","","","","","1.6997","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104902","8.737","0.001","4.852","0.001","30.16","0.001","90","","95.52","0.01","90","","1272.6","0.3","110","","110","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Quercetin monohydrate","2(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one monohydrate","","- C15 H12 O8 -","- C15 H12 O8 -","- C60 H48 O32 -","4","1","GW5011","Domagała, Sławomir; Munshi, Parthapratim; Ahmed, Maqsood; Guillot, Benoît; Jelsch, Christian","Structural analysis and multipole modelling of quercetin monohydrate ‒ a quantitative and comparative study","Acta Crystallographica Section B","2011","67","1","63","78","10.1107/S0108768110041996","","","1.54184","CuKα","","0.04","0.0387","","","0.0541","0.0542","","","","","","2.19","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104903","8.737","0.001","4.852","0.001","30.16","0.001","90","","95.52","0.01","90","","1272.6","0.3","110","","110","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Quercetin monohydrate","2(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one monohydrate","","- C15 H12 O8 -","- C15 H12 O8 -","- C60 H48 O32 -","4","1","GW5011","Domagała, Sławomir; Munshi, Parthapratim; Ahmed, Maqsood; Guillot, Benoît; Jelsch, Christian","Structural analysis and multipole modelling of quercetin monohydrate ‒ a quantitative and comparative study","Acta Crystallographica Section B","2011","67","1","63","78","10.1107/S0108768110041996","","","1.54184","CuKα","","0.022","0.0204","","","0.0273","0.0275","","","","","","1.109","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104904","8.737","0.001","4.852","0.001","30.16","0.001","90","","95.52","0.01","90","","1272.6","0.3","110","","110","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Quercetin monohydrate","2(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one monohydrate","","- C15 H12 O8 -","- C15 H12 O8 -","- C60 H48 O32 -","4","1","GW5011","Domagała, Sławomir; Munshi, Parthapratim; Ahmed, Maqsood; Guillot, Benoît; Jelsch, Christian","Structural analysis and multipole modelling of quercetin monohydrate ‒ a quantitative and comparative study","Acta Crystallographica Section B","2011","67","1","63","78","10.1107/S0108768110041996","","","1.54184","CuKα","","0.0219","0.0203","","","0.0272","0.0274","","","","","","1.112","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104905","6.1328","0.0001","7.5151","0.0001","8.5801","0.0001","98.263","0.0007","104.622","0.0008","102.14","0.0008","365.895","0.009","300","","300","","","","","","","","","3","P -1","-P 1","2","aluminum orthophosphate","AlPO4","","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","3","WH5011","Kanzaki, Masami; Xue, Xianyu; Reibstein, Sindy; Berryman, Eleanor; Namgung, Seonyi","Structures of two new high-pressure forms of AlPO~4~ by X-ray powder diffraction and NMR spectroscopy","Acta Crystallographica Section B","2011","67","1","30","40","10.1107/S0108768110051050","powder diffraction","","1.00036","synchrotron","","","","","","","","","","1.43","","","","","","","has coordinates","204122","2020-10-21","18:00:00",""
"2104906","6.13219","0.00006","14.3465","0.0001","8.5762","0.00009","90","","104.743","0.0005","90","","729.656","0.012","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","aluminum orthophosphate","AlPO4","","- Al O4 P -","- Al O4 P -","- Al12 O48 P12 -","12","3","WH5011","Kanzaki, Masami; Xue, Xianyu; Reibstein, Sindy; Berryman, Eleanor; Namgung, Seonyi","Structures of two new high-pressure forms of AlPO~4~ by X-ray powder diffraction and NMR spectroscopy","Acta Crystallographica Section B","2011","67","1","30","40","10.1107/S0108768110051050","powder diffraction","","1.00036","synchrotron","","","","","","","","","","1.55","","","","","","","has coordinates,has Fobs","204122","2020-10-21","18:00:00",""
"2104907","5.907","0.003","5.907","0.003","22.57","0.01","90","","90","","120","","682","0.6","413","2","413","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- H13 N3 O8 S2 -","- H13.0002 N3 O7.9998 S2 -","- H39.0006 N9 O23.9994 S6 -","3","0.0833333","EB5009","Sohn, Yoo Jung; Sparta, Karine M.; Meven, Martin; Heger, Gernot","Disorder of (NH~4~)~3~H(SO~4~)~2~ in the high-temperature phase I","Acta Crystallographica Section B","2011","67","2","116","121","10.1107/S0108768111007269","","neutron","0.555","neutron","","0.2689","0.0556","","","0.0859","0.1091","","","","","","1.51","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104908","14.5882","0.0005","9.2584","0.0002","19.1532","0.0006","90","","93.26","0.003","90","","2582.71","0.13","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","chlorpropamide, β^II^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C80 H104 Cl8 N16 O24 S8 -","8","2","GP5041","Drebushchak, Tatiana N.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Solid-state transformations in the β-form of chlorpropamide on cooling to 100K","Acta Crystallographica Section B","2011","67","2","163","176","10.1107/S0108768111004290","","","0.71073","MoKα","","0.1224","0.0553","","","0.1373","0.1467","","","","","","0.75","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104909","28.4475","0.0012","9.2322","0.0003","19.2298","0.0007","90","","95.562","0.004","90","","5026.6","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","chlorpropamide, β^III^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C160 H208 Cl16 N32 O48 S16 -","16","4","GP5041","Drebushchak, Tatiana N.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Solid-state transformations in the β-form of chlorpropamide on cooling to 100K","Acta Crystallographica Section B","2011","67","2","163","176","10.1107/S0108768111004290","","","0.71073","MoKα","","0.1238","0.0533","","","0.1238","0.1388","","","","","","0.809","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104910","7.8123","0.0001","6.9384","0.0001","14.1179","0.0003","90","","96.727","0.001","90","","759.99","0.02","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","barbituric acid urea addition compound","2,4,6(1H,3H,5H)-Pyrimidinetrione urea addition compound","","- C5 H8 N4 O4 -","- C5 H8 N4 O4 -","- C20 H32 N16 O16 -","4","1","GW5010","Gryl, Marlena; Krawczuk-Pantula, Anna; Stadnicka, Katarzyna","Charge-density analysis in polymorphs of urea‒barbituric acid co-crystals","Acta Crystallographica Section B","2011","67","2","144","154","10.1107/S0108768111002412","","","0.71073","MoKα","","0.058","0.036","","","","0.029","","","","","","1.358","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104911","16.0474","0.0005","5.028","0.0002","10.3879","0.0003","90","","110.093","0.002","90","","787.15","0.05","100","2","100","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","barbituric acid urea addition compound","2,4,6(1H,3H,5H)-Pyrimidinetrione urea addition compound","","- C5 H8 N4 O4 -","- C5 H8 N4 O4 -","- C20 H32 N16 O16 -","4","1","GW5010","Gryl, Marlena; Krawczuk-Pantula, Anna; Stadnicka, Katarzyna","Charge-density analysis in polymorphs of urea‒barbituric acid co-crystals","Acta Crystallographica Section B","2011","67","2","144","154","10.1107/S0108768111002412","","","0.71073","MoKα","","0.056","0.038","","","","0.027","","","","","","1.036","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104912","16.182","0.002","16.518","0.002","17.876","0.002","90","","106.42","0.01","90","","4583.3","1","90","2","90","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0895","0.0422","","","0.0812","0.0948","","","","","","0.995","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104913","16.188","0.002","16.526","0.002","17.876","0.002","90","","106.41","0.01","90","","4587.4","1","100","2","100","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0904","0.0415","","","0.0791","0.0923","","","","","","1","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104914","16.194","0.002","16.533","0.002","17.878","0.002","90","","106.4","0.01","90","","4591.8","1","110","2","110","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0943","0.0422","","","0.0794","0.0938","","","","","","1.002","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104915","16.2","0.002","16.54","0.002","17.88","0.002","90","","106.39","0.01","90","","4596.2","1","120","2","120","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0961","0.0422","","","0.0797","0.0944","","","","","","0.995","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104916","16.208","0.002","16.55","0.002","17.882","0.002","90","","106.38","0.01","90","","4602","1","130","2","130","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0989","0.0423","","","0.0781","0.0929","","","","","","0.99","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104917","16.214","0.002","16.56","0.002","17.882","0.002","90","","106.36","0.01","90","","4607","1","140","2","140","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1049","0.0428","","","0.069","0.08","","","","","","1.109","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104918","16.222","0.002","16.571","0.002","17.882","0.002","90","","106.34","0.01","90","","4612.8","1","150","2","150","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1082","0.0438","","","0.083","0.1004","","","","","","0.987","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104919","16.23","0.002","16.584","0.002","17.88","0.002","90","","106.32","0.01","90","","4618.6","1","160","2","160","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1117","0.0446","","","0.0856","0.1043","","","","","","0.98","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104920","16.238","0.002","16.598","0.002","17.878","0.002","90","","106.28","0.01","90","","4625.2","1","170","2","170","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1183","0.044","","","0.0829","0.1023","","","","","","0.985","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104921","16.242","0.002","16.608","0.002","17.874","0.002","90","","106.26","0.01","90","","4628.6","1","175","2","175","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.123","0.045","","","0.0766","0.0921","","","","","","1.055","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104922","16.246","0.002","16.618","0.002","17.87","0.002","90","","106.24","0.01","90","","4632","1","180","2","180","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1264","0.0454","","","0.0858","0.1064","","","","","","0.972","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104923","16.25","0.002","16.631","0.002","17.866","0.002","90","","106.2","0.01","90","","4636.6","1","185","2","185","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1309","0.0448","","","0.0739","0.0895","","","","","","1.048","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104924","16.254","0.002","16.644","0.002","17.86","0.002","90","","106.17","0.01","90","","4640.6","1","190","2","190","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.1443","0.0497","","","0.1058","0.1466","","","","","","1.021","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104925","8.129","0.002","16.658","0.004","8.926","0.002","90","","106.13","0.01","90","","1161.1","0.5","195","2","195","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0691","0.0427","","","0.0833","0.0929","","","","","","1.028","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104926","8.13","0.002","16.666","0.004","8.925","0.002","90","","106.11","0.01","90","","1161.8","0.5","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0687","0.0417","","","0.083","0.0917","","","","","","1.04","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104927","8.134","0.002","16.675","0.004","8.926","0.002","90","","106.09","0.01","90","","1163.2","0.5","210","2","210","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0717","0.0419","","","0.0826","0.0928","","","","","","1.028","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104928","8.137","0.002","16.679","0.004","8.927","0.002","90","","106.08","0.01","90","","1164.1","0.5","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0731","0.0424","","","0.083","0.0932","","","","","","1.029","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104929","8.141","0.002","16.687","0.004","8.93","0.002","90","","106.07","0.01","90","","1165.7","0.5","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0742","0.0415","","","0.0811","0.0918","","","","","","1.027","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104930","8.145","0.002","16.688","0.004","8.932","0.002","90","","106.06","0.01","90","","1166.7","0.5","243","2","243","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0753","0.0427","","","0.085","0.0955","","","","","","1.033","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104931","8.15","0.002","16.693","0.004","8.935","0.002","90","","106.05","0.01","90","","1168.2","0.5","253","2","253","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0782","0.0425","","","0.0837","0.095","","","","","","1.018","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104932","8.158","0.002","16.699","0.004","8.941","0.002","90","","106.03","0.01","90","","1170.7","0.5","263","2","263","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0826","0.0431","","","0.085","0.0974","","","","","","1.006","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104933","8.167","0.002","16.703","0.004","8.948","0.002","90","","106.02","0.01","90","","1173.2","0.5","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0889","0.0446","","","0.0856","0.0988","","","","","","0.997","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104934","8.18","0.002","16.701","0.004","8.96","0.002","90","","105.96","0.01","90","","1176.9","0.5","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0365","0.0306","","","0.0719","0.0751","","","","","","1.03","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104935","8.1578","0.0001","16.6971","0.0002","8.9482","0.001","90","","106.05","0.0006","90","","1171.34","0.13","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C20 H68 N4 Ni2 O36 -","2","1","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0346","0.0293","","","0.0683","0.0711","","","","","","1.038","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104936","16.2526","0.0002","16.6254","0.0002","17.8851","0.0002","90","","106.233","0.001","90","","4640","0.1","185","1","185","1","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0547","0.0333","","","0.0721","0.0799","","","","","","1.049","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104937","16.2401","0.0002","16.6007","0.0002","17.8912","0.0002","90","","106.295","0.001","90","","4629.66","0.1","170","1","170","1","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0472","0.0306","","","0.0662","0.0723","","","","","","1.033","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104938","16.2238","0.0002","16.5763","0.0002","17.8917","0.0002","90","","106.344","0.001","90","","4617.18","0.1","150","0.2","150","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0434","0.0297","","","0.0628","0.068","","","","","","1.043","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104939","16.1879","0.0002","16.5322","0.0002","17.8839","0.0002","90","","106.413","0.001","90","","4591.08","0.1","100","0.2","100","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","hexaquanickel(II) nitrate (15-crown-5) monohydrate","hexaaquanickel(II) nitrate (15-crown-5) monohydrate","","- C10 H34 N2 Ni O18 -","- C10 H34 N2 Ni O18 -","- C80 H272 N16 Ni8 O144 -","8","","HW5014","Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt","Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory","Acta Crystallographica Section B","2011","67","2","130","143","10.1107/S010876811100526X","","","0.71073","MoKα","","0.0354","0.0269","","","0.0578","0.0612","","","","","","1.032","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104940","7.4634","0.0002","22.0476","0.001","19.6139","0.0009","90","","90","","90","","3227.5","0.2","375","2","375","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C12 H40 Cd3 Cl10 N4 -","- C12 H39 Cd3 Cl10 N4 -","- C48 H156 Cd12 Cl40 N16 -","4","","KD5047","Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir","Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network","Acta Crystallographica Section B","2011","67","2","122","129","10.1107/S0108768110054583","","","0.71073","MoKα","","0.0487","0.0248","","","0.049","0.0539","","","","","","0.899","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104941","7.4298","0.0005","22.0791","0.0005","19.4442","0.0006","90","","90","","90","","3189.7","0.2","320","2","320","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H40 Cd3 Cl10 N4 -","- C12 H40.004 Cd3 Cl10 N4 -","- C48 H160.016 Cd12 Cl40 N16 -","4","0.5","KD5047","Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir","Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network","Acta Crystallographica Section B","2011","67","2","122","129","10.1107/S0108768110054583","","","0.71073","MoKα","","0.0325","0.024","","","0.0594","0.0615","","","","","","1.007","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104942","7.3918","0.0002","22.0135","0.0007","19.3938","0.0005","90","","90","","90","","3155.75","0.15","275","2","275","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H40 Cd3 Cl10 N4 -","- C12 H40 Cd3 Cl10 N4 -","- C48 H160 Cd12 Cl40 N16 -","4","1","KD5047","Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir","Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network","Acta Crystallographica Section B","2011","67","2","122","129","10.1107/S0108768110054583","","","0.71073","MoKα","","0.0434","0.0283","","","0.0448","0.0473","","","","","","0.825","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104943","14.717","0.0003","7.76462","0.00017","6.22813","0.00016","90","","101.015","0.0015","90","","698.59","0.03","123","2","123","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","ethyl-<i>tert</i>-butyl ether","2-ethoxy-2-methylpropane","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","0.5","OG5046","Hammer, Sonja M.; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","Predicted and experimental crystal structures of ethyl-<i>tert</i>-butyl ether","Acta Crystallographica Section B","2011","67","2","155","162","10.1107/S0108768111001169","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","2.714","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104944","6.0341","0.0001","30.9087","0.0005","11.7024","0.0002","90","","103.366","0.001","90","","2123.45","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(cyclohexanecarboxylic acid)(hexamethylenetetramine)","","- C20 H36 N4 O4 -","- C20 H36 N4 O4 -","- C80 H144 N16 O16 -","4","1","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.0698","0.0502","","","0.1244","0.1366","","","","","","1.029","","","","has coordinates,has Fobs","211413","2020-10-21","18:00:00",""
"2104945","6.1529","0.0001","26.9424","0.0006","11.8758","0.0003","90","","100.553","0.001","90","","1935.4","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(para-flourobenzoic acid).(hexamethylenetetramine)","","- C20 H22 F2 N4 O4 -","- C20 H22 F2 N4 O4 -","- C80 H88 F8 N16 O16 -","4","1","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.0443","0.0379","","","0.095","0.0998","","","","","","1.013","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104946","6.1754","0.0018","28.234","0.007","12.154","0.003","90","","99.869","0.015","90","","2087.8","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(toluidine carboxylic acid).(hexamethylenetetramine)","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","1","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.1952","0.1209","","","0.3241","0.3664","","","","","","1.099","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104947","30.803","0.0006","9.6904","0.0002","7.3655","0.0001","90","","90","","90","","2198.55","0.07","173","2","173","2","","","","","","","","4","C m c 21","C 2c -2","36","","bis(cinnamic acid).(hexamethylenetetramine)","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C96 H112 N16 O16 -","4","0.5","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.0327","0.0311","","","0.0828","0.0844","","","","","","1.072","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104948","12.0807","0.0004","7.473","0.0002","25.0633","0.0007","90","","98.909","0.001","90","","2235.39","0.11","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(4-nitrobenzoic acid).(hexamethylenetetramine) dihydrate","","- C20 H26 N6 O10 -","- C20 H26 N6 O10 -","- C80 H104 N24 O40 -","4","0.5","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.0417","0.0358","","","0.1042","0.1097","","","","","","1.014","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104949","5.9169","0.0004","21.6383","0.0015","6.1135","0.0004","90","","108.028","0.001","90","","744.29","0.09","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(cis-cyclohexane-1,4-dicarboxylic acid).(hexamethylenetetramine)","","- C14 H24 N4 O4 -","- C14 H24 N4 O4 -","- C28 H48 N8 O8 -","2","0.5","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.0417","0.0383","","","0.0982","0.1007","","","","","","1.135","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104950","23.7999","0.0004","44.9245","0.0008","5.7804","0.0001","90","","90","","90","","6180.4","0.19","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(trans-cyclohexane-1,4-dicarboxylic acid).(hexamethylenetetramine)","","- C14 H24 N4 O4 -","- C14 H24 N4 O4 -","- C224 H384 N64 O64 -","16","1","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.0364","0.0332","","","0.0957","0.0988","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104951","5.30756","0.00008","5.30756","0.00008","6.80615","0.00004","90","","90","","120","","166.044","0.004","293","","293","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","Rubidium sulfide","","","- Rb2 S -","- Rb2 S -","- Rb4 S2 -","2","0.0833333","WH5012","Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin","High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions","Acta Crystallographica Section B","2011","67","2","109","115","10.1107/S010876811005370X","powder diffraction","","","MoKα","","","","","","","","","","2.2846","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104952","8.167","0.01","5.101","0.006","9.957","0.011","90","","90","","90","","414.8","0.8","293","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","Rubidium sulfide","","","- Rb2 S -","- Rb2 S -","- Rb8 S4 -","4","0.5","WH5012","Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin","High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions","Acta Crystallographica Section B","2011","67","2","109","115","10.1107/S010876811005370X","powder diffraction","","","MoKα","","","","","","","","","","2.1646","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104953","10.186","0.0003","8.4277","0.0002","11.6457","0.0003","90","","109.591","0.002","90","","941.85","0.04","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bianthrone","","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","GW5012","Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon","The effect of pressure on the crystal structure of bianthrone","Acta Crystallographica Section B","2011","67","3","226","237","10.1107/S0108768111009657","","","0.71073","MoKα","","0.0715","0.055","","0.0587","0.0514","0.0514","","","","","","1.1125","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104954","9.9825","0.0011","7.8892","0.0015","11.4879","0.0009","90","","109.78","0.006","90","","851.3","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bianthrone","","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","GW5012","Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon","The effect of pressure on the crystal structure of bianthrone","Acta Crystallographica Section B","2011","67","3","226","237","10.1107/S0108768111009657","","","0.4792","synchrotron","","0.0674","0.0446","","0.0614","0.0438","0.0438","","","","","","1.0086","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104955","9.9021","0.0014","7.6543","0.0018","11.4225","0.0011","90","","109.86","0.009","90","","814.3","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bianthrone","","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","GW5012","Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon","The effect of pressure on the crystal structure of bianthrone","Acta Crystallographica Section B","2011","67","3","226","237","10.1107/S0108768111009657","","","0.4792","synchrotron","","0.068","0.0436","","0.0588","0.047","0.047","","","","","","1.036","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104956","9.8354","0.0013","7.4567","0.0019","11.3543","0.0012","90","","109.939","0.008","90","","782.8","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bianthrone","","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","GW5012","Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon","The effect of pressure on the crystal structure of bianthrone","Acta Crystallographica Section B","2011","67","3","226","237","10.1107/S0108768111009657","","","0.4792","synchrotron","","0.0655","0.042","","0.0664","0.0429","0.0429","","","","","","1.0406","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104957","9.7854","0.0007","7.2988","0.0011","11.3074","0.0007","90","","110.028","0.004","90","","758.75","0.14","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bianthrone","","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","GW5012","Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon","The effect of pressure on the crystal structure of bianthrone","Acta Crystallographica Section B","2011","67","3","226","237","10.1107/S0108768111009657","","","0.4792","synchrotron","","0.0587","0.0424","","0.0553","0.0442","0.0442","","","","","","1.0722","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104958","9.7527","0.0009","7.2058","0.0015","11.2786","0.0009","90","","110.132","0.006","90","","744.19","0.18","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bianthrone","","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","GW5012","Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon","The effect of pressure on the crystal structure of bianthrone","Acta Crystallographica Section B","2011","67","3","226","237","10.1107/S0108768111009657","","","0.4792","synchrotron","","0.0624","0.0409","","0.0752","0.0465","0.0465","","","","","","1.081","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104959","9.7286","0.001","7.1123","0.0017","11.2468","0.0011","90","","110.186","0.007","90","","730.4","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bianthrone","","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","GW5012","Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon","The effect of pressure on the crystal structure of bianthrone","Acta Crystallographica Section B","2011","67","3","226","237","10.1107/S0108768111009657","","","0.4792","synchrotron","","0.0595","0.0407","","0.0388","0.0292","0.0292","","","","","","1.0955","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104960","9.7119","0.0014","7.041","0.002","11.2282","0.0018","90","","110.229","0.01","90","","720.4","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bianthrone","","","- C28 H16 O2 -","- C28 H16 O2 -","- C56 H32 O4 -","2","0.5","GW5012","Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon","The effect of pressure on the crystal structure of bianthrone","Acta Crystallographica Section B","2011","67","3","226","237","10.1107/S0108768111009657","","","0.4792","synchrotron","","0.0847","0.0512","","0.0622","0.039","0.039","","","","","","1.091","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104961","10.3653","0.0007","11.7998","0.0007","11.0749","0.0007","90","","110.217","0.006","90","","1271.1","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis-tetrathiafulvalene p-bromanil","","","- C18 H8 Br4 O2 S8 -","- C18 H8 Br4 O2 S8 -","- C36 H16 Br8 O4 S16 -","2","0.5","GW5013","García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude","Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA","Acta Crystallographica Section B","2011","67","3","244","249","10.1107/S0108768111015801","","","0.71073","MoKα","","0.0568","0.0384","","","0.0971","0.1048","","","","","","0.992","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104962","10.2781","0.0009","11.5982","0.0008","11.0418","0.0009","90","","110.434","0.008","90","","1233.44","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis-tetrathiafulvalene p-bromanil","","","- C18 H8 Br4 O2 S8 -","- C18 H8 Br4 O2 S8 -","- C36 H16 Br8 O4 S16 -","2","0.5","GW5013","García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude","Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA","Acta Crystallographica Section B","2011","67","3","244","249","10.1107/S0108768111015801","","","0.71073","MoKα","","0.0334","0.033","","","0.0826","0.0831","","","","","","1.124","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104963","10.2507","0.0006","11.5276","0.0009","10.9799","0.0009","90","","110.446","0.007","90","","1215.71","0.16","25","2","25","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis-tetrathiafulvalene p-bromanil","","","- C18 H8 Br4 O2 S8 -","- C18 H8 Br4 O2 S8 -","- C36 H16 Br8 O4 S16 -","2","0.5","GW5013","García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude","Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA","Acta Crystallographica Section B","2011","67","3","244","249","10.1107/S0108768111015801","","","0.71073","MoKα","","0.0265","0.0251","","","0.0662","0.067","","","","","","1.101","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104964","21.555","0.007","3.7583","0.0009","11.926","0.005","90","","136.14","0.02","90","","669.4","0.5","","","295","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na O3 Ti1.25 -","- Na0.5 O4.5 Ti1.5 -","- Na4 O36 Ti12 -","8","1","KD5050","Andrusenko, Iryna; Mugnaioli, Enrico; Gorelik, Tatiana E.; Koll, Dominik; Panthöfer, Martin; Tremel, Wolfgang; Kolb, Ute","Structure analysis of titanate nanorods by automated electron diffraction tomography","Acta Crystallographica Section B","2011","67","3","218","225","10.1107/S0108768111014534","","","0.0197","electron","","0.2679","0.2665","","","0.5834","0.5921","","","","","","3.725","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104965","11.989","0.003","11.989","0.003","11.989","0.003","90","","90","","90","","1723.3","0.7","298","","298","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","mayenite","","","- Al14 Ca12 O33 -","- Al14 Ca12 O33 -","- Al28 Ca24 O66 -","2","0.0416667","OG5045","Sakakura, Terutoshi; Tanaka, Kiyoaki; Takenaka, Yasuyuki; Matsuishi, Satoru; Hosono, Hideo; Kishimoto, Shunji","Determination of the local structure of a cage with an oxygen ion in Ca~12~Al~14~O~33~","Acta Crystallographica Section B","2011","67","3","193","204","10.1107/S0108768111005179","","","0.67954","synchrotron","","","0.0161","","","","0.024","","","","","","1.089","","","","has coordinates,has Fobs","190526","2020-10-21","18:00:00",""
"2104966","5.7913","0.0003","8.2458","0.0006","8.9223","0.001","116.823","0.008","104.589","0.009","91.602","0.005","362.99","0.06","90","0.1","90","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","PI5008","Zarychta, Bartosz; Zaleski, Jacek; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Jelsch, Christian","Charge-density analysis of 1-nitroindoline: refinement quality using free <i>R</i> factors and restraints","Acta Crystallographica Section B","2011","67","3","250","262","10.1107/S0108768111013140","","","0.71073","MoKα","","0.025","0.0211","","","0.023","0.0237","","","","","","0.958","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104967","9.517","0.003","10.723","0.003","32.993","0.008","90","","96.029","0.006","90","","3348.3","1.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N3 O3 P -","- C15 H24 N3 O3 P -","- C120 H192 N24 O24 P8 -","8","2","SO5046","Gholivand, Khodayar; Mahzouni, Hamid Reza","Solid-state and gas-phase structures of two conformers of <i>N</i>-(4-methylphenyl)-<i>N</i>',<i>N</i>''-bis(morpholinyl) phosphoric triamide; insights from X-ray crystallography and DFT calculations","Acta Crystallographica Section B","2011","67","3","238","243","10.1107/S0108768111010470","","","0.71073","MoKα","","0.1087","0.0514","","","0.1013","0.1191","","","","","","0.868","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104968","22.8118","0.0008","19.2667","0.0007","17.3077","0.0006","90","","96.176","0.003","90","","7562.7","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H106 B2 Co2 N4 O10 -","- C84 H106 B2 Co2 N4 O10 -","- C336 H424 B8 Co8 N16 O40 -","4","0.5","GW5014","Deutsch, Maxime; Claiser, Nicolas; Gillet, Jean-Michel; Lecomte, Claude; Sakiyama, Hiroshi; Tone, Katsuya; Souhassou, Mohamed","<i>d</i>-Orbital orientation in a dimer cobalt complex: link to magnetic properties?","Acta Crystallographica Section B","2011","67","4","324","332","10.1107/S0108768111022671","","","0.7107","MoKα","","","0.0246","","","","0.0346","","","","","","1.73","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104969","13.0745","0.0002","12.9669","0.0002","13.6824","0.0003","90","","90","","90","","2319.66","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(mu~2~-2-(dimethylamino)ethoxo-N,O,O)-di(phenolyato-O)-di-tin(II)","","- C20 H30 N2 O4 Sn2 -","- C20 H30 N2 O4 Sn2 -","- C80 H120 N8 O16 Sn8 -","4","0.5","GW5015","Korlyukov, Alexander A.; Khrustalev, Victor N.; Vologzhanina, Anna V.; Lyssenko, Konstantin A.; Nechaev, Mikhail. S.; Antipin, Mikhail Yu.","Bis(μ^2^-2-(dimethylamino)ethoxo-<i>N</i>,<i>O</i>,<i>O</i>)-di(phenolato-<i>O</i>)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study","Acta Crystallographica Section B","2011","67","4","315","323","10.1107/S0108768111022695","","","0.71073","MoKα","","0.0472","0.0229","","","0.047","0.0921","","","","","","1.004","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104970","11.0299","0.0002","10.0921","0.0002","18.6365","0.0003","90","","97.238","0.002","90","","2057.99","0.07","100","","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","GW5016","Paul, Agnieszka; Kubicki, Maciej; Jelsch, Christian; Durand, Pierrick; Lecomte, Claude","<i>R</i>-free factor and experimental charge-density analysis of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with <i>Z</i>' = 2","Acta Crystallographica Section B","2011","67","4","365","378","10.1107/S0108768111022683","","","0.71073","MoKα","","0.0298","0.0297","","","0.0252","0.0253","","","","","","1.069","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104971","9.4763","0.0006","5.8288","0.0004","11.0764","0.0007","90","","112.853","0.001","90","","563.79","0.06","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl chlorothioformate","","- C3 H5 Cl O S -","- C3 H5 Cl O S -","- C12 H20 Cl4 O4 S4 -","4","1","PS5011","Rodríguez Pirani, Lucas; Erben, Mauricio F.; Boese, Roland; Pozzi, C. Gustavo; Fantoni, Adolfo C.; Della Védova, Carlos O.","Conformational preference of chlorothioformate species: molecular structure of ethyl chlorothioformate, ClC(O)SCH~2~CH~3~, in the solid phase and NBO analysis","Acta Crystallographica Section B","2011","67","4","350","356","10.1107/S0108768111017575","","","0.71073","MoKα","","0.0194","0.0183","","","0.0491","0.0497","","","","","","1.072","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104972","14.1681","0.0002","14.1681","0.0002","13.4241","0.0002","90","","90","","120","","2333.67","0.06","296","2","296","2","101.3","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ca H1.25 O4.625 Se -","- Ca H1.25 O4.625 Se -","- Ca24 H30 O111 Se24 -","24","4","SN5102","Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang","CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure","Acta Crystallographica Section B","2011","67","4","293","301","10.1107/S0108768111018544","","","0.71073","MoKα","","0.0514","0.0329","","","0.0683","0.0738","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104973","14.1035","0.0007","14.1035","0.0007","13.3622","0.001","90","","90","","120","","2301.8","0.2","100","2","100","2","101.3","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ca H1.25 O4.625 Se -","- Ca H1.25 O4.625 Se -","- Ca24 H30 O111 Se24 -","24","4","SN5102","Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang","CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure","Acta Crystallographica Section B","2011","67","4","293","301","10.1107/S0108768111018544","","","0.71073","MoKα","","0.0433","0.0327","","","0.0791","0.0817","","","","","","1.178","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104974","3.7888","0.0003","13.7784","0.0015","13.0368","0.0015","90","","90.979","0.005","90","","680.47","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-dichlorobenzaldehyde","","","- C7 H4 Cl2 O -","- C7 H4 Cl2 O -","- C28 H16 Cl8 O4 -","4","1","GP5044","Solanko, Katarzyna A.; Bond, Andrew D.","Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers","Acta Crystallographica Section B","2011","67","5","437","445","10.1107/S0108768111035786","","","0.71073","MoKα","","0.0479","0.0381","","","0.0892","0.0927","","","","","","1.127","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104975","3.815","0.0005","7.829","0.0011","17.895","0.003","89.091","0.005","85.728","0.005","81.115","0.005","526.6","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2,5-dichlorobenzaldehyde","","","- C7 H4 Cl2 O -","- C7 H4 Cl2 O -","- C21 H12 Cl6 O3 -","3","1.5","GP5044","Solanko, Katarzyna A.; Bond, Andrew D.","Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers","Acta Crystallographica Section B","2011","67","5","437","445","10.1107/S0108768111035786","","","0.71073","MoKα","","0.0631","0.0367","","","0.0754","0.0806","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104976","3.8094","0.0003","14.8887","0.0013","6.2014","0.0005","90","","91.849","0.004","90","","351.54","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-dichlorobenzaldehyde","","","- C7 H4 Cl2 O -","- C7 H4 Cl2 O -","- C14 H8 Cl4 O2 -","2","1","GP5044","Solanko, Katarzyna A.; Bond, Andrew D.","Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers","Acta Crystallographica Section B","2011","67","5","437","445","10.1107/S0108768111035786","","","0.71073","MoKα","","0.0262","0.024","","","0.0547","0.0553","","","","","","1.086","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104977","3.7785","0.0005","31.353","0.005","12.058","0.002","90","","91.546","0.006","90","","1428","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,5-dichlorobenzaldehyde","","","- C7 H4 Cl2 O -","- C7 H4 Cl2 O -","- C56 H32 Cl16 O8 -","8","2","GP5044","Solanko, Katarzyna A.; Bond, Andrew D.","Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers","Acta Crystallographica Section B","2011","67","5","437","445","10.1107/S0108768111035786","","","0.71073","MoKα","","0.0911","0.0457","","","0.0877","0.0981","","","","","","1.02","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104978","6.5525","0.0003","6.8444","0.0003","9.5265","0.0002","71.798","0.002","85.988","0.002","89.219","0.002","404.86","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 S2 Tl2 -","- C3 H2 S Tl -","- C12 H8 S4 Tl4 -","4","2","HW5016","Stone, Kevin H.; Turner, Dayna L.; Singh, Mayank Pratap; Vaid, Thomas P.; Stephens, Peter W.","Hidden superlattice in Tl~2~(SC~6~H~4~S) and Tl~2~(SeC~6~H~4~Se) solved from powder X-ray diffraction","Acta Crystallographica Section B","2011","67","5","409","415","10.1107/S0108768111030692","powder diffraction","","0.698163","synchrotron","","","","","","","","","","1.218","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104979","6.67438","0.00008","6.84998","0.00008","9.82649","0.0001","72.513","0.002","84.79","0.002","88.659","0.003","426.725","0.01","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 Se2 Tl2 -","- C3 H2 Se Tl -","- C12 H8 Se4 Tl4 -","4","2","HW5016","Stone, Kevin H.; Turner, Dayna L.; Singh, Mayank Pratap; Vaid, Thomas P.; Stephens, Peter W.","Hidden superlattice in Tl~2~(SC~6~H~4~S) and Tl~2~(SeC~6~H~4~Se) solved from powder X-ray diffraction","Acta Crystallographica Section B","2011","67","5","409","415","10.1107/S0108768111030692","powder diffraction","","0.699855","synchrotron","","","","","","","","","","2.785","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104980","20.403","0.013","5.601","0.002","7.274","0.006","90","","108.48","0.08","90","","788.4","0.9","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","calcium bis(hydrogen methylphosphonate)","","","- C2 H8 Ca O6 P2 -","- C2 H8 Ca O6 P2 -","- C8 H32 Ca4 O24 P8 -","4","0.5","SO5049","Mermer, Adrian; Starynowicz, Przemysław","Charge-density distribution in hydrogen methylphosphonates of calcium and lithium","Acta Crystallographica Section B","2011","67","5","399","408","10.1107/S0108768111030515","","","0.7107","MoKα","","0.025","0.012","","","","0.013","","","","","","1.456","","","","has coordinates,has Fobs","192332","2020-10-21","18:00:00",""
"2104981","9.267","0.005","4.604","0.002","9.384","0.003","90","","96.12","0.04","90","","398.1","0.3","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","lithium hydrogen methylphosphonate","","","- C H4 Li O3 P -","- C H4 Li O3 P -","- C4 H16 Li4 O12 P4 -","4","1","SO5049","Mermer, Adrian; Starynowicz, Przemysław","Charge-density distribution in hydrogen methylphosphonates of calcium and lithium","Acta Crystallographica Section B","2011","67","5","399","408","10.1107/S0108768111030515","","","0.7107","MoKα","","0.031","0.015","","","","0.015","","","","","","1.47","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104982","9.239","0.002","11.647","0.002","11.803","0.002","117.25","0.03","96.37","0.03","106.63","0.03","1037.3","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 F10 O4 Ta2 -","- C46 H44 F10 O4 Ta2 -","- C46 H44 F10 O4 Ta2 -","1","0.5","ZB5019","Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.","Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol","Acta Crystallographica Section B","2011","67","5","416","424","10.1107/S0108768111029259","","","0.71073","MoKα","","0.0782","0.0727","","0.189","","0.1824","","","1.022","","","1.049","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2104983","9.083","0.002","16.216","0.003","16.872","0.003","90","","99.76","0.03","90","","2449.1","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 N Ta -","- C24 H46 N Ta -","- C96 H184 N4 Ta4 -","4","1","ZB5019","Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.","Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol","Acta Crystallographica Section B","2011","67","5","416","424","10.1107/S0108768111029259","","","0.71073","MoKα","","0.0695","0.0382","","","0.0568","0.0636","","","","","","1.029","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104984","8.341","0.002","26.389","0.005","15.145","0.003","90","","90","","90","","3333.6","1.2","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C34 H15 F20 O4 Ta -","- C34 H15 F20 O4 Ta -","- C136 H60 F80 O16 Ta4 -","4","0.5","ZB5019","Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.","Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol","Acta Crystallographica Section B","2011","67","5","416","424","10.1107/S0108768111029259","","","0.71073","MoKα","","0.0813","0.0451","","","0.0888","0.1006","","","","","","1.013","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104985","12.793","0.002","15.242","0.002","25.708","0.003","90","","100.178","0.005","90","","4933.9","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H38 F20 O6 Ta2 -","- C51 H38 F20 O6 Ta2 -","- C204 H152 F80 O24 Ta8 -","4","1","ZB5019","Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.","Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol","Acta Crystallographica Section B","2011","67","5","416","424","10.1107/S0108768111029259","","","0.71073","MoKα","","0.0753","0.0625","","","0.0907","0.0936","","","","","","2.263","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104986","7.061","0.005","24.489","0.015","13.93","0.009","90","","103.481","0.008","90","","2342","3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","LD 425","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","BK5105","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia","Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473","Acta Crystallographica Section B","2011","67","6","560","568","10.1107/S0108768111037311","","","0.71073","MoKα","","0.0768","0.0624","","","0.1447","0.1581","","","","","","1.131","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104987","8.9941","0.0005","11.2954","0.0006","14.3536","0.0009","90","","102.537","0.003","90","","1423.44","0.14","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LD 489","","","- C15 H15 F3 N2 O2 -","- C15 H15 F3 N2 O2 -","- C60 H60 F12 N8 O8 -","4","1","BK5105","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia","Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473","Acta Crystallographica Section B","2011","67","6","560","568","10.1107/S0108768111037311","","","0.71073","MoKα","","0.0758","0.0476","","","0.1131","0.1271","","","","","","1.039","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104988","12.1853","0.0005","12.2242","0.0004","10.6361","0.0003","90","","93.4529","0.0011","90","","1581.43","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LD 473","","","- C17 H19 F3 N2 O -","- C17 H19 F3 N2 O -","- C68 H76 F12 N8 O4 -","4","1","BK5105","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia","Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473","Acta Crystallographica Section B","2011","67","6","560","568","10.1107/S0108768111037311","","","0.71073","MoKα","","0.0977","0.0482","","","0.1038","0.123","","","","","","0.996","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104989","8.9378","0.0002","8.9378","0.0002","8.9378","0.0002","90","","90","","90","","713.99","0.03","297","2","297","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","ammonium hexafluoroaluminate","ammonium hexafluoroaluminate","","- Al F6 H12 N3 -","- Al F6.06 H11.84 N3 -","- Al4 F24.24 H47.36 N12 -","4","0.0208333","BP5038","Udovenko, Anatoly A.; Laptash, Natalia M.","Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~","Acta Crystallographica Section B","2011","67","6","447","454","10.1107/S0108768111044867","","","0.71073","MoKα","","0.0281","0.0277","","","0.0762","0.0768","","","","","","1.088","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104990","9.1144","0.0006","9.1144","0.0006","9.1144","0.0006","90","","90","","90","","757.15","0.09","297","2","297","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ammonium oxopentafluorotitanate","ammonium oxopentafluorotitanate","","- F5 H12 N3 O Ti -","- F5.1 H11.84 N3 O1.02 Ti1.02 -","- F20.4 H47.36 N12 O4.08 Ti4.08 -","4","0.0208333","BP5038","Udovenko, Anatoly A.; Laptash, Natalia M.","Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~","Acta Crystallographica Section B","2011","67","6","447","454","10.1107/S0108768111044867","","","0.71073","MoKα","","0.021","0.021","","","0.0625","0.0625","","","","","","1.161","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104991","8.9002","0.0001","8.9002","0.0001","8.9002","0.0001","90","","90","","90","","705.017","0.014","297","2","297","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","rubidium potassium oxopentafuorotitanate","rubidium potassium oxopentafuorotitanate","","- F5 K O Rb2 Ti -","- F4.92 K O0.96 Rb2 Ti -","- F19.68 K4 O3.84 Rb8 Ti4 -","4","0.0208333","BP5038","Udovenko, Anatoly A.; Laptash, Natalia M.","Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~","Acta Crystallographica Section B","2011","67","6","447","454","10.1107/S0108768111044867","","","0.71073","MoKα","","0.0311","0.0208","","","0.0726","0.073","","","","","","1.194","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104992","8.8879","0.0002","8.8879","0.0002","8.8879","0.0002","90","","90","","90","","702.1","0.03","218","2","218","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","rubidium potassium oxopentafuorotitanate","rubidium potassium oxopentafuorotitanate","","- F5 K O Rb2 Ti -","- F4.98 K O1.02 Rb2 Ti1.02 -","- F19.92 K4 O4.08 Rb8 Ti4.08 -","4","0.0208333","BP5038","Udovenko, Anatoly A.; Laptash, Natalia M.","Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~","Acta Crystallographica Section B","2011","67","6","447","454","10.1107/S0108768111044867","","","0.71073","MoKα","","0.0284","0.0229","","","0.061","0.061","","","","","","1.333","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104993","19.92","0.012","19.88","0.013","13.386","0.009","90","","90","","90","","5301","6","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5.38 H5.38 O24 Si12 -","- C5.397 H5.397 O24 Si12 -","- C43.176 H43.176 O192 Si96 -","8","1","DK5001","Kamiya, Natsumi; Iwama, Wataru; Kudo, Tomokazu; Nasuno, Tomomi; Fujiyama, Shinjiro; Nishi, Koji; Yokomori, Yoshinobu","Determining the structure of a benzene7.2-silicalite-1 zeolite using a single-crystal X-ray method","Acta Crystallographica Section B","2011","67","6","508","515","10.1107/S0108768111038560","","","0.71073","MoKα","","0.0568","0.0364","","","0.1193","0.1298","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104994","12.37","0.002","12.57","0.002","8.114","0.0001","90","","101.48","0.02","90","","1236.4","0.3","294","2","294","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.25","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0689","0.0492","","","0.1207","0.1313","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104995","12.303","0.002","12.543","0.002","8.049","0.001","90","","100.65","0.02","90","","1220.7","0.3","250","1","250","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0858","0.0443","","","0.1018","0.1192","","","","","","1.005","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104996","31.013","0.005","12.56","0.002","56.246","0.007","90","","129.19","0.02","90","","16981","7","213","2","213","2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C280 H1008 N56 Ni28 O532 -","28","","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.2123","0.0601","","","0.1622","0.1875","","","","","","1.175","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104997","30.632","0.003","12.594","0.001","55.955","0.005","90","","129.46","0.01","90","","16666","4","90","0.2","90","0.2","","","","","","","","5","B 1 21 1","P 2yb (1/2*x,y,-1/2*x+z)","4","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C280 H1008 N56 Ni28 O532 -","28","","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.1297","0.0469","","","0.1247","0.1538","","","","","","1.232","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2104998","11.943","0.002","12.693","0.002","15.982","0.002","90","","101.56","0.02","90","","2373.6","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0627","0.038","","","0.0878","0.0978","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104999","11.955","0.002","12.692","0.002","15.988","0.002","90","","101.55","0.02","90","","2376.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0621","0.0377","","","0.0845","0.0937","","","","","","1.064","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105000","11.967","0.002","12.69","0.002","15.993","0.002","90","","101.55","0.02","90","","2379.5","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0651","0.0386","","","0.0887","0.0993","","","","","","1.069","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105001","11.981","0.002","12.688","0.002","15.999","0.002","90","","101.54","0.02","90","","2382.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0675","0.0393","","","0.0883","0.0992","","","","","","1.083","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105002","11.995","0.002","12.685","0.002","16.005","0.002","90","","101.52","0.02","90","","2386.2","0.6","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0668","0.0384","","","0.0873","0.0986","","","","","","1.041","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105003","12.008","0.002","12.681","0.002","16.01","0.002","90","","101.5","0.02","90","","2389","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.072","0.0405","","","0.0936","0.1058","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105004","12.024","0.002","12.678","0.002","16.016","0.002","90","","101.47","0.02","90","","2392.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0734","0.0411","","","0.0938","0.1059","","","","","","1.058","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105005","12.041","0.002","12.673","0.002","16.022","0.002","90","","101.44","0.02","90","","2396.3","0.6","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0735","0.0399","","","0.0897","0.1017","","","","","","1.052","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105006","12.059","0.002","12.668","0.002","16.028","0.002","90","","101.4","0.02","90","","2400.2","0.6","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0784","0.042","","","0.0943","0.1075","","","","","","1.046","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105007","12.079","0.002","12.661","0.002","16.034","0.002","90","","101.36","0.02","90","","2404.1","0.6","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0815","0.0422","","","0.0966","0.1131","","","","","","1.028","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105008","12.1","0.002","12.652","0.002","16.04","0.002","90","","101.3","0.02","90","","2407.9","0.6","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0831","0.0419","","","0.0956","0.1111","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105009","12.112","0.002","12.647","0.002","16.043","0.002","90","","101.27","0.02","90","","2410.1","0.6","195","2","195","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0837","0.0438","","","0.1019","0.1177","","","","","","1.025","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105010","12.124","0.002","12.641","0.002","16.047","0.002","90","","101.23","0.02","90","","2412.3","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.087","0.0446","","","0.1047","0.1215","","","","","","1.012","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105011","12.137","0.002","12.635","0.002","16.05","0.002","90","","101.19","0.02","90","","2414.5","0.7","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C40 H144 N8 Ni4 O76 -","4","1","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.089","0.045","","","0.105","0.1225","","","","","","0.997","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105012","12.297","0.001","12.539","0.001","8.047","0.001","90","","100.66","0.01","90","","1219.4","0.2","253","2","253","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.081","0.0521","","","0.1302","0.1457","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105013","12.319","0.001","12.54","0.001","8.062","0.001","90","","100.8","0.01","90","","1223.4","0.2","263","2","263","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.1025","0.0561","","","0.1446","0.1676","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105014","12.295","0.001","12.542","0.001","8.046","0.001","90","","100.63","0.01","90","","1219.4","0.2","253","2","253","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0804","0.0521","","","0.1294","0.145","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105015","12.319","0.001","12.545","0.001","8.057","0.001","90","","100.76","0.01","90","","1223.3","0.2","263","2","263","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0834","0.0521","","","0.1309","0.1482","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105016","12.336","0.001","12.548","0.001","8.068","0.001","90","","100.9","0.01","90","","1226.3","0.2","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0906","0.0551","","","0.1466","0.1694","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105017","12.349","0.001","12.549","0.001","8.082","0.001","90","","101.05","0.01","90","","1229.2","0.2","280","2","280","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.109","0.0629","","","0.1702","0.1995","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105018","12.35","0.001","12.554","0.001","8.093","0.001","90","","101.2","0.01","90","","1230.9","0.2","285","2","285","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.1091","0.0681","","","0.1908","0.2219","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105019","12.362","0.001","12.557","0.001","8.102","0.001","90","","101.36","0.01","90","","1233","0.2","290","2","290","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O19 -","- C20 H72 N4 Ni2 O38 -","2","0.5","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.1675","0.0893","","","0.259","0.3137","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105020","12.37","0.002","12.57","0.002","8.114","0.001","90","","101.48","0.02","90","","1236.4","0.3","295","2","295","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O18.5 -","- C20 H72 N4 Ni2 O37 -","2","0.25","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0888","0.0575","","","0.1472","0.1633","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105021","12.379","0.002","12.558","0.002","8.12","0.001","90","","101.68","0.02","90","","1236.2","0.3","303","2","303","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","hexaquanickel(II) nitrate (15-crown-5) dihydrate","","- C10 H36 N2 Ni O19 -","- C10 H36 N2 Ni O18.5 -","- C20 H72 N4 Ni2 O37 -","2","0.25","HW5018","Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K","Acta Crystallographica Section B","2011","67","6","486","498","10.1107/S0108768111045897","","","0.71073","MoKα","","0.0703","0.0501","","","0.133","0.1444","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105022","11.581","0.004","4.2812","0.0015","15.282","0.005","90","","104.938","0.006","90","","732.1","0.4","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diethyl oxalate","","","- C6 H10 O4 -","- C6 H10 O4 -","- C24 H40 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0967","0.0494","","","0.1005","0.121","","","","","","1.071","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105023","11.734","0.004","4.3096","0.0015","15.276","0.005","90","","105.525","0.006","90","","744.3","0.4","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diethyl oxalate","","","- C6 H10 O4 -","- C6 H10 O4 -","- C24 H40 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.1098","0.0508","","","0.1022","0.1281","","","","","","1.061","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105024","3.9101","0.0019","11.907","0.005","6.221","0.003","90","","103.1","0.05","90","","282.1","0.2","323","","323","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dimethyl oxalate","","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.1097","0.0515","","","0.1425","0.1621","","","","","","0.974","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105025","3.873","0.002","11.875","0.004","6.205","0.002","90","","103.37","0.04","90","","277.6","0.2","273","","273","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dimethyl oxalate","","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0924","0.0554","","","0.1423","0.1606","","","","","","1.034","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105026","3.851","0.002","11.84","0.006","6.227","0.003","90","","104.31","0.05","90","","275.1","0.2","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dimethyl oxalate","","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0695","0.0557","","","0.145","0.1533","","","","","","1.089","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105027","3.8083","0.0015","11.742","0.004","6.1664","0.0018","90","","104.06","0.03","90","","267.48","0.16","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dimethyl oxalate","","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.063","0.0482","","","0.1178","0.1239","","","","","","1.129","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105028","3.7844","0.001","11.751","0.002","6.1753","0.0014","90","","104.59","0.02","90","","265.76","0.11","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dimethyl oxalate","","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0616","0.0484","","","0.1202","0.1257","","","","","","1.169","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105029","4.3575","0.0012","9.949","0.003","11.384","0.003","90","","92.483","0.005","90","","493.1","0.2","210","","210","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diisopropyl oxalate","","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0585","0.0395","","","0.0879","0.1006","","","","","","1.079","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105030","4.2679","0.0017","9.947","0.004","11.272","0.005","90","","92.444","0.007","90","","478.1","0.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diisopropyl oxalate","","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0648","0.0505","","","0.124","0.1327","","","","","","1.109","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105031","4.593","0.004","4.702","0.004","14.03","0.011","95.896","0.012","97.964","0.012","96.656","0.013","295.9","0.4","210","","210","","","","","","","","","3","P -1","-P 1","2","di-n-butyl oxalate","","","- C10 H18 O4 -","- C10 H18 O4 -","- C10 H18 O4 -","1","0.5","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.1431","0.1148","","","0.2986","0.3195","","","","","","1.094","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105032","4.36","0.002","4.611","0.002","13.954","0.007","81.486","0.011","81.175","0.008","81.044","0.008","271.6","0.2","90","","90","","","","","","","","","3","P -1","-P 1","2","di-n-butyl oxalate","","","- C10 H18 O4 -","- C10 H18 O4 -","- C10 H18 O4 -","1","0.5","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.1048","0.0954","","","0.2476","0.2515","","","","","","1.26","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105033","11.197","0.002","10.778","0.002","11.454","0.002","90","","119.23","0.03","90","","1206.3","0.5","250","","250","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-tert-butyl oxalate","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.056","0.0476","","","0.1267","0.1333","","","","","","1.064","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105034","11.183","0.002","10.752","0.002","11.405","0.002","90","","118.95","0.03","90","","1200","0.5","225","","225","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-tert-butyl oxalate","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0527","0.0459","","","0.1165","0.1222","","","","","","1.083","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105035","11.163","0.002","10.72","0.002","11.359","0.002","90","","118.75","0.03","90","","1191.7","0.5","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-tert-butyl oxalate","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0474","0.0412","","","0.1055","0.1107","","","","","","1.07","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105036","11.138","0.002","10.686","0.002","11.324","0.002","90","","118.61","0.03","90","","1183.2","0.5","175","","175","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-tert-butyl oxalate","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0438","0.0388","","","0.0966","0.1004","","","","","","1.1","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105037","11.12","0.002","10.65","0.002","11.277","0.002","90","","118.35","0.03","90","","1175.3","0.5","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-tert-butyl oxalate","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.042","0.0378","","","0.0962","0.0991","","","","","","1.054","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105038","11.1","0.002","10.635","0.002","11.243","0.002","90","","118.22","0.03","90","","1169.5","0.5","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-tert-butyl oxalate","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.0406","0.0368","","","0.0936","0.0968","","","","","","1.075","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105039","16.317","0.008","4.461","0.002","9.254","0.004","90","","95.045","0.007","90","","671","0.5","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Methyl ethyl oxalate","","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.1357","0.1084","","","0.2318","0.246","","","","","","1.254","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105040","16.321","0.008","4.425","0.002","9.127","0.004","90","","95.092","0.008","90","","656.6","0.5","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Methy lethyl oxalate","","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","1","OG5050","Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.","Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding","Acta Crystallographica Section B","2011","67","6","525","534","10.1107/S0108768111037487","","","0.71073","MoKα","","0.1208","0.093","","","0.2596","0.2795","","","","","","1.299","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105041","13.869","0.0004","13.869","0.0004","12.7189","0.0001","90","","90","","120","","2118.7","0.09","296","2","296","2","101.3","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ca H1.25 O4.625 S -","- Ca H1.25 O4.625 S -","- Ca24 H30 O111 S24 -","24","4","SN5106","Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang","Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O","Acta Crystallographica Section B","2011","67","6","467","475","10.1107/S0108768111041759","","","0.71073","MoKα","","0.0608","0.0388","","","0.0955","0.1079","","","","","","1.029","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105042","17.518","0.0008","6.9291","0.0001","12.0344","0.0002","90","","133.655","0.004","90","","1056.89","0.09","293","2","296","2","","","","","","","Synthetic","4","C 1 2 1","C 2y","5","","","Bassanite","- Ca H O4.5 S -","- Ca H O4.5 S -","- Ca12 H12 O54 S12 -","12","3","SN5106","Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang","Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O","Acta Crystallographica Section B","2011","67","6","467","475","10.1107/S0108768111041759","","","0.71073","MoKα","","0.0577","0.0424","","","0.0883","0.0956","","","","","","0.973","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2105043","11.827","0.002","7.875","0.002","23.504","0.005","90","","90","","90","","2189.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-hydroxy-2-phenyl-2,3-dihydro-isoindol-1-one","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","SN5107","Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter","Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions","Acta Crystallographica Section B","2011","67","6","569","581","10.1107/S0108768111041747","","","0.6","synchrotron","","0.032","0.024","","","","0.041","0.034","","","","","3.176","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105044","13.659","0.003","6.256","0.001","12.862","0.003","90","","107","0.03","90","","1051","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-6-phenyl-5,6-dihydro-pyrrolo[3,4-b]pyridin-7-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","SN5107","Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter","Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions","Acta Crystallographica Section B","2011","67","6","569","581","10.1107/S0108768111041747","","","0.5","synchrotron","","0.021","0.019","","","","0.034","0.022","","","","","2.4","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105045","7.875","0.002","9.892","0.002","18.843","0.004","90","","90","","90","","1467.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S)-3-hydroxy-2,3-diphenyl-2,3-dihydro-pyrrolo[3,4-c]pyridine-1-one","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","SN5107","Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter","Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions","Acta Crystallographica Section B","2011","67","6","569","581","10.1107/S0108768111041747","","","0.6","synchrotron","","0.019","0.018","","","","0.033","0.039","","","","","2.529","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105046","5.351","0.0006","26.669","0.003","5.4914","0.0006","90","","90","","90","","783.65","0.15","298","","298","","","","","","","","","5","A m m a","-A 2a 2a","63","","","","- Ca4 Fe2 Mn0.5 O9 Ti0.5 -","- Ca4 Fe2.498 O9 Ti0.502 -","- Ca16 Fe9.992 O36 Ti2.008 -","4","0.25","SN5108","Krüger, H.; Stöber, S.; Welberry, T. R.; Withers, R. L.; Fitz Gerald, J. D.","Stacking faults and superstructures in a layered brownmillerite","Acta Crystallographica Section B","2011","67","6","476","485","10.1107/S0108768111042005","","","0.71073","MoKα","","0.0253","0.0231","","","0.033","0.0336","","","","","","2.61","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105047","7.0689","0.0002","8.5538","0.0002","13.0736","0.0003","90.4259","0.0009","105.118","0.0009","102.425","0.001","743.58","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N5 O8 -","- C12 H15 N5 O8 -","- C24 H30 N10 O16 -","2","1","SO5054","Şerb, Mihaela-Diana; Wang, Ruimin; Meven, Martin; Englert, Ulli","The whole range of hydrogen bonds in one crystal structure: neutron diffraction and charge-density studies of <i>N</i>,<i>N</i>-dimethylbiguanidinium bis(hydrogensquarate)","Acta Crystallographica Section B","2011","67","6","552","559","10.1107/S0108768111043138","","","0.71073","MoKα","","0.0824","0.0499","","","0.1004","0.1055","","","","","","1.065","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105048","6.503","0.001","6.418","0.001","16.416","0.003","90","","92.087","0.004","90","","684.7","0.2","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","ZB5018","Tilborg, Anaëlle; Jacquemin, Denis; Norberg, Bernadette; Perpète, Eric; Michaux, Catherine; Wouters, Johan","Structural study of piracetam polymorphs and cocrystals: crystallography redetermination and quantum mechanics calculations","Acta Crystallographica Section B","2011","67","6","499","507","10.1107/S0108768111045113","","","1.54178","CuKα","","0.0358","0.0345","","","0.0977","0.0989","","","","","","1.062","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105340","17.2889","0.0008","17.2889","0.0008","8.3622","0.001","90","","90","","120","","2164.6","0.3","293","","293","","","","","","","","","6","X3(00\g)0","","","","","","- Al4 Ca0.03 K0.54 Na3.24 O16 Si4 -","","","6","","CK5042","Friese, Karen; Grzechnik, Andrzej; Petříček, Vaclav; Schönleber, Andreas; van Smaalen, Sander; Morgenroth, Wolfgang","Modulated structure of nepheline","Acta Crystallographica Section B","2011","67","1","18","29","10.1107/S0108768110050822","","","0.4","synchrotron","","0.0762","0.038","","","0.0479","0.051","","","","","","1.73","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2228638","7.173","0.0014","10.599","0.002","12.26","0.003","76.21","0.03","88.37","0.03","77.01","0.03","881.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis(1<i>H</i>-benzimidazol-2-yl)benzene methanol monosolvate","","- C21 H18 N4 O -","- C21 H18 N4 O -","- C42 H36 N8 O2 -","2","1","BG2370","Su, Jiang-Bo; Lin, Shen; Chen, Li-Juan; Yang, Ming-Xing; Huang, Hua","1,4-Bis(1<i>H</i>-benzimidazol-2-yl)benzene methanol monosolvate","Acta Crystallographica Section E","2011","67","1","o90","","10.1107/S1600536810049238","","","0.71073","MoKα","","0.0529","0.043","","","0.11","0.1191","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228639","10.5685","0.001","12.5224","0.0011","16.3983","0.0014","82.088","0.002","77.476","0.002","67.212","0.002","1949.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Dicarbonylchlorido(phenoxythiocarbonyl- κ^2^<i>C</i>,<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)molybdenum(II)","","- C45 H35 Cl Mo O3 P2 S -","- C45 H35 Cl Mo O3 P2 S -","- C90 H70 Cl2 Mo2 O6 P4 S2 -","2","1","BG2377","Lee, Gene-Hsiang; Wang, Hsiao-Fen; Yih, Kuang-Hway; Huang, Shou-Ling","Dicarbonylchlorido(phenoxythiocarbonyl-κ^2^<i>C</i>,<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)molybdenum(II)","Acta Crystallographica Section E","2011","67","1","m117","m118","10.1107/S1600536810052530","","","0.71073","MoKα","","0.0775","0.0534","","","0.1174","0.1283","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228640","9.361","0.002","35.966","0.009","6.9102","0.0017","90","","90","","90","","2326.5","1","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-{4-[2-(Trifluoromethoxy)phenyl]piperazin-1-yl}butyl)thiophene-2- carboxamide","","- C20 H28 F3 N3 O4 S -","- C20 H28 F3 N3 O4 S -","- C80 H112 F12 N12 O16 S4 -","4","1","BG2379","Cai, Jin","<i>N</i>-(4-{4-[2-(Trifluoromethoxy)phenyl]piperazin-1-yl}butyl)thiophene-2-carboxamide dihydrate","Acta Crystallographica Section E","2011","67","1","o125","","10.1107/S160053681005155X","","","0.71073","MoKα","","0.0855","0.0559","","","0.148","0.1734","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228641","7.4065","0.0002","7.6176","0.0003","11.533","0.0004","86.946","0.002","80.433","0.001","85.833","0.002","639.38","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-[(<i>E</i>)-(2,4-Dichloropbenzylidene)amino]benzoic acid","","- C14 H9 Cl2 N O2 -","- C14 H9 Cl2 N O2 -","- C28 H18 Cl4 N2 O4 -","2","1","BG2380","Akmal, Muhammad; Siddiqui, Waseeq Ahmad; Tahir, M. Nawaz; Ashraf, Adnan; Nosheen, Farhat","3-[(<i>E</i>)-(2,4-Dichloropbenzylidene)amino]benzoic acid","Acta Crystallographica Section E","2011","67","1","o157","","10.1107/S1600536810051470","","","0.71073","MoKα","","0.0357","0.0314","","","0.0805","0.0843","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228642","9.748","0.002","13.694","0.004","14.249","0.004","86.848","0.007","74.66","0.005","80.692","0.007","1810","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloridobis(1,10-phenanthroline)zinc(II) tetrachlorido(1,10-phenanthroline)bismuthate(III) monohydrate","","- C36 H26 Bi Cl5 N6 O Zn -","- C36 H24 Bi Cl5 N6 O Zn -","- C72 H48 Bi2 Cl10 N12 O2 Zn2 -","2","1","BG2383","Song, Chunlei; Chai, Wenxiang; Song, Li; Yang, Yunyun; Lin, Jian","Chloridobis(1,10-phenanthroline)zinc(II) tetrachlorido(1,10-phenanthroline)bismuthate(III) monohydrate","Acta Crystallographica Section E","2011","67","1","m109","m110","10.1107/S1600536810052682","","","0.71075","MoKα","","0.0266","0.0236","","","0.0589","0.0606","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228643","11.8527","0.0003","17.3848","0.0005","12.6466","0.0003","90","","96.857","0.002","90","","2587.28","0.12","90","0.5","90","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(5<i>SR</i>,10<i>SR</i>,15<i>SR</i>)-Trimethyl 5<i>H</i>,10<i>H</i>,15<i>H</i>- diindeno[1,2-<i>a</i>:1',2'-<i>c</i>]fluorene-5,10,15-tricarboxylate 0.167-hydrate","","- C33 H24.33 O6.17 -","- C33 H24.334 O6.167 -","- C132 H97.336 O24.668 -","4","1","BH2320","Menard, Melissa C.; Fronczek, Frank R.; Watkins, Steven F.; Dhar, Raj K.","(5<i>SR</i>,10<i>SR</i>,15<i>SR</i>)-Trimethyl 5<i>H</i>,10<i>H</i>,15<i>H</i>-diindeno[1,2-<i>a</i>:1',2'-<i>c</i>]fluorene-5,10,15-tricarboxylate 0.167-hydrate","Acta Crystallographica Section E","2011","67","1","o1","o2","10.1107/S1600536810049056","","","0.71073","MoKα","","","0.0538","","","","0.1437","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228644","10","0.002","13.047","0.003","13.157","0.003","91.513","0.003","97.13","0.003","95.185","0.003","1695.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-phenylquinoline-4-carboxylato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-phenylquinoline-4- carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]","","- C84 H56 Cd2 N8 O8 -","- C84 H56 Cd2 N8 O8 -","- C84 H56 Cd2 N8 O8 -","1","0.5","BH2323","Zha, Mei-Qin; Li, Xing; Bing, Yue","Bis(μ-2-phenylquinoline-4-carboxylato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-phenylquinoline-4-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]","Acta Crystallographica Section E","2011","67","1","m8","","10.1107/S1600536810049640","","","0.71073","MoKα","","0.0746","0.0452","","","0.1126","0.1341","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228645","13.259","0.0014","16.3231","0.0016","19.166","0.002","90","","98.58","0.002","90","","4101.6","0.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[triethylammonium [[triphenyltin(IV)]-μ-2,2'-dihydroxy-4,4'-methylenedi-2-naphthoato]]","","- C47 H45 N O6 Sn -","- C47 H45 N O6 Sn -","- C188 H180 N4 O24 Sn4 -","4","1","BH2324","Liu, Lijun; Gong, Shuwen","<i>catena</i>-Poly[triethylammonium [[triphenyltin(IV)]-μ-3,3'-dihydroxy-4,4'-methylenedi-2-naphthoato]]","Acta Crystallographica Section E","2011","67","1","m122","","10.1107/S1600536810052402","","","0.71073","MoKα","","0.0911","0.0697","","","0.1682","0.1824","","","","","","0.975","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228646","5.847","0.005","8.981","0.007","11.63","0.009","80.456","0.011","83.922","0.011","76.971","0.012","585.3","0.8","150","2","150","2","","","","","","","","4","P 1","P 1","1","Methyl-N-bis(4-methoxyphenyl)methylene-L-seryl-L-valinate","(<i>S</i>)-Methyl 2-{(<i>S</i>)-2-[bis(4-methoxyphenyl)methylideneamino]- 3-hydroxypropanamido}-3-methylbutanoate","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","1","1","BH2325","Keyari, Charles M.; Polt, Robin; Nichol, Gary S.","(<i>S</i>)-Methyl 2-{(<i>S</i>)-2-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxypropanamido}-3-methylbutanoate","Acta Crystallographica Section E","2011","67","1","o13","o14","10.1107/S1600536810049032","","","0.71073","MoKα","","0.0636","0.0373","","","0.0842","0.1065","","","","","","1.086","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228647","4.9813","0.0008","8.32","0.0014","15.273","0.002","90","","93.156","0.006","90","","632.02","0.17","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(3-chloropropoxy)benzene","","- C12 H16 Cl2 O2 -","- C12 H16 Cl2 O2 -","- C24 H32 Cl4 O4 -","2","0.5","BQ2255","Wang, Yufei","1,4-Bis(3-chloropropoxy)benzene","Acta Crystallographica Section E","2011","67","1","o42","","10.1107/S1600536810050348","","","0.71075","MoKα","","0.0406","0.0311","","","0.0746","0.0779","","","","","","1.067","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228648","10.623","0.001","10.77","0.001","25.513","0.002","90","","97.927","0.006","90","","2891","0.4","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","2","BQ2257","Nirmala, P. G.; Foro, Sabine; Gowda, B. Thimme","2,4-Dimethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","1","o6","","10.1107/S1600536810049627","","","0.71073","MoKα","","0.0638","0.0412","","","0.1072","0.1162","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228649","9.502","0.0019","10.054","0.002","10.735","0.002","72.78","0.03","89.17","0.03","74.81","0.03","943.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(2,4-dichlorophenyl)-6-(naphthalen-1-yl)nicotinonitrile","","- C22 H13 Cl2 N3 -","- C22 H13 Cl2 N3 -","- C44 H26 Cl4 N6 -","2","1","BQ2258","Ye, Yuan-Feng; Wang, Huai-Qing; Feng, Zhi-Qiang","2-Amino-4-(2,4-dichlorophenyl)-6-(naphthalen-1-yl)nicotinonitrile","Acta Crystallographica Section E","2011","67","1","o71","","10.1107/S1600536810050609","","","0.71073","MoKα","","0.0675","0.0483","","","0.1304","0.1455","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228650","9.075","0.001","14.232","0.002","10.773","0.001","90","","90.49","0.01","90","","1391.3","0.3","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,5-Dichlorophenyl)-4-methylbenzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","BQ2259","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,5-Dichlorophenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","1","o40","","10.1107/S1600536810050270","","","1.5418","CuKα","","0.0516","0.0475","","","0.1379","0.1409","","","","","","1.135","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228651","10.5498","0.0005","14.9824","0.0007","13.9885","0.0007","90","","94.579","0.005","90","","2203.98","0.18","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(η^4^-cycloocta-1,5- diene)[(pentafluoroethyl)diphenylphosphane]iridium(I)","","- C22 H22 Cl F5 Ir P -","- C22 H22 Cl F5 Ir P -","- C88 H88 Cl4 F20 Ir4 P4 -","4","1","BQ2260","Choate, Michelle M.; Peters, R. Gregory; Baughman, Russell G.","Chlorido(η^4^-1,5-cyclooctadiene)[(pentafluoroethyl)diphenylphosphane]iridium(I)","Acta Crystallographica Section E","2011","67","1","m72","","10.1107/S160053681005141X","","","0.71073","MoKα","","0.075","0.0423","","","0.0892","0.1007","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228652","14.982","0.003","9.4411","0.0019","20.384","0.004","90","","90","","90","","2883.2","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis{2-[3-(dimethylamino)propyliminomethyl]-6-methoxyphenolato}- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^;κ^2^<i>N</i>,<i>O</i>^1^-zinc(II) dihydrate","","- C26 H42 N4 O6 Zn -","- C26 H42 N4 O6 Zn -","- C104 H168 N16 O24 Zn4 -","4","1","BQ2261","Lin, Hong; Wang, Xiao-Juan","Bis{2-[3-(dimethylamino)propyliminomethyl]-6-methoxyphenolato}-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^;κ^2^<i>N</i>,<i>O</i>^1^-zinc(II) dihydrate","Acta Crystallographica Section E","2011","67","1","m90","","10.1107/S1600536810052438","","","0.71073","MoKα","","0.0527","0.0307","","","0.0642","0.0715","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228653","4.8379","0.0004","10.0424","0.0006","11.9876","0.0008","90.222","0.006","99.614","0.007","98.506","0.006","567.67","0.07","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(2,3-Dimethylphenyl)succinamic acid","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C24 H30 N2 O6 -","2","1","BQ2264","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme; Fuess, Hartmut","<i>N</i>-(2,3-Dimethylphenyl)succinamic acid","Acta Crystallographica Section E","2011","67","1","o236","","10.1107/S160053681005292X","","","1.5418","CuKα","","0.0713","0.0635","","","0.1734","0.1829","","","","","","1.112","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228654","12.272","0.002","12.606","0.002","6.416","0.004","90","","114.87","0.02","90","","900.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium dimanganese iron triphosphate","","- Fe1.24 K0.53 Mn2.37 O12 P3 -","- Fe1.2434 K0.531 Mn2.3694 O12 P3 -","- Fe4.9736 K2.124 Mn9.4776 O48 P12 -","4","0.5","BR2150","Hidouri, Mourad; Ben Amara, Mongi","K~0.53~Mn~2.37~Fe~1.24~(PO~4~)~3~","Acta Crystallographica Section E","2011","67","1","i1","","10.1107/S1600536810051238","","","0.71073","MoKα","","0.0536","0.0367","","","0.0826","0.089","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228655","10.672","0.0014","10.672","0.0014","23.439","0.004","90","","90","","90","","2669.5","0.7","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","[μ-1,2-Bis(diphenylphosphanyl)-1,2-dimethylhydrazine-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)]","","- C26 H26 Au2 Cl2 N2 P2 -","- C26 H26 Au2 Cl2 N2 P2 -","- C104 H104 Au8 Cl8 N8 P8 -","4","0.5","BR2152","Kriel, Frederik H.; Fernandes, Manuel A.; Coates, Judy","[μ-1,2-Bis(diphenylphosphanyl)-1,2-dimethylhydrazine-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)]","Acta Crystallographica Section E","2011","67","1","m42","","10.1107/S1600536810050506","","","0.71073","MoKα","","0.0467","0.0296","","","0.0531","0.056","","","","","","0.976","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228656","7.4867","0.0003","8.262","0.0003","9.8383","0.0005","90","","112.038","0.002","90","","564.09","0.04","296","2","296","2","101","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Silver indium diphosphate","","- Ag In O7 P2 -","- Ag In O7 P2 -","- Ag4 In4 O28 P8 -","4","1","BR2154","Zouihri, Hafid; Saadi, Mohamed; Jaber, Boujemaa; El Ammari, Lehcen","Silver indium diphosphate, AgInP~2~O~7~","Acta Crystallographica Section E","2011","67","1","i2","","10.1107/S1600536810052451","","","0.71073","MoKα","","0.0272","0.0213","","","0.0461","0.0482","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228657","6.8262","0.0014","12.189","0.002","12.609","0.003","101.74","0.03","99.03","0.03","97.12","0.03","1001.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","{2-[6-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)-2-pyridyl- κ<i>N</i>]benzimidazolato-κ<i>N</i>}(dicyanamido-κ<i>N</i>)(methanol- κ<i>O</i>)copper(II)","","- C22 H16 Cu N8 O -","- C22 H16 Cu N8 O -","- C44 H32 Cu2 N16 O2 -","2","1","BT5405","Hu, Jingchun; Zhang, Jinfang; Zhang, Weiming; Zhang, Chi","{2-[6-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)-2-pyridyl-κ<i>N</i>]benzimidazolato-κ<i>N</i>}(dicyanamido-κ<i>N</i>)(methanol-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","1","m61","","10.1107/S1600536810050178","","","0.71073","MoKα","","0.0338","0.0303","","","0.0706","0.0724","","","","","","1.023","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228658","9.4604","0.0019","17.785","0.004","18.879","0.004","90","","90","","90","","3176.5","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2- fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","","- C15 H14 Cl F4 N O -","- C15 H14 Cl F4 N O -","- C120 H112 Cl8 F32 N8 O8 -","8","1","BT5406","Yan, Fan-Yong; Liu, Dong-Qing; Wen, Jing-Yun; Gao, Yun-Ying; Li, Ai-Mei","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","Acta Crystallographica Section E","2011","67","1","o60","","10.1107/S1600536810050464","","","0.71073","MoKα","","0.0612","0.0491","","","0.1265","0.1352","","","","","","1.071","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228659","18.454","0.004","9.335","0.0019","18.981","0.004","90","","90","","90","","3269.8","1.2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2- chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","","- C15 H14 Cl2 F3 N O -","- C15 H14 Cl2 F3 N O -","- C120 H112 Cl16 F24 N8 O8 -","8","1","BT5407","Liu, Dong-Qing; Yan, Fan-Yong; Gao, Yun-Ying; Guo, Lei; Kong, Zi","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","Acta Crystallographica Section E","2011","67","1","o61","","10.1107/S1600536810050634","","","0.71073","MoKα","","0.0518","0.0441","","","0.1099","0.1151","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228660","7.2191","0.0014","9.5095","0.0019","11.139","0.002","94.44","0.03","99.76","0.03","92.5","0.03","750.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-methylpyridinium 6-carboxypyridine-2-carboxylate methanol monosolvate","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C28 H34 N6 O10 -","2","1","BT5416","Aghabozorg, Hossein; Mofidi Rouchi, Azadeh; Mirzaei, Masoud; Notash, Behrouz","2-Amino-4-methylpyridinium 6-carboxypyridine-2-carboxylate methanol monosolvate","Acta Crystallographica Section E","2011","67","1","o54","","10.1107/S1600536810050245","","","0.71073","MoKα","","0.1189","0.0793","","","0.1942","0.2161","","","","","","1.173","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228661","10.776","0.002","18.466","0.004","11.745","0.002","90","","106.74","0.03","90","","2238.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium dibromidotricarbonyl(<i>o</i>-toluidine)rhenate(I)","","- C18 H29 Br2 N2 O3 Re -","- C18 H29 Br2 N2 O3 Re -","- C72 H116 Br8 N8 O12 Re4 -","4","1","BT5421","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","Tetraethylammonium dibromidotricarbonyl(<i>o</i>-toluidine)rhenate(I)","Acta Crystallographica Section E","2011","67","1","m32","m33","10.1107/S1600536810050038","","","0.71073","MoKα","","","0.0318","","","","0.0861","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228662","16.916","0.003","11.913","0.002","12.87","0.003","90","","122.16","0.03","90","","2195.6","1","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')cobalt(II) ethane-1,2-diol monosolvate","","- C22 H22 Co N4 O6 S -","- C22 H22 Co N4 O6 S -","- C88 H88 Co4 N16 O24 S4 -","4","0.5","BT5423","Zhong, Kai-Long; Pan, Xian-Xiao; Cao, Guo-Qing; Chen, Lin","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) ethane-1,2-diol monosolvate","Acta Crystallographica Section E","2011","67","1","m43","","10.1107/S1600536810050592","","","0.71073","MoKα","","0.0484","0.0368","","","0.0807","0.0854","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228663","9.9434","0.001","11.2216","0.0008","11.3523","0.0012","78.658","0.007","76.342","0.009","87.66","0.007","1206.8","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Orphenadrinium picrate","<i>N</i>,<i>N</i>-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium 2,4,6-trinitrophenolate","","- C24 H26 N4 O8 -","- C24 H26 N4 O8 -","- C48 H52 N8 O16 -","2","1","BT5424","Jasinski, Jerry P.; Butcher, Ray J.; Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.","Orphenadrinium picrate","Acta Crystallographica Section E","2011","67","1","o190","o191","10.1107/S1600536810049937","","","1.54184","CuKα","","0.0778","0.0653","","","0.1776","0.1884","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228664","14.4225","0.0014","8.0836","0.0005","16.2749","0.0014","90","","107.263","0.007","90","","1811.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-<i>N</i>-(4-Methoxyphenyl)-2-(4-methoxyphenylimino)-2<i>H</i>- 1,4-benzoxazin-3-amine","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","1","BT5425","Mehrdad, Morteza; Ghanbari, Mohammad; Jadidi, Khosrow; Salemi, Amir; Khavasi, Hamid Reza","(2<i>Z</i>)-<i>N</i>-(4-Methoxyphenyl)-2-(4-methoxyphenylimino)-2<i>H</i>-1,4-benzoxazin-3-amine","Acta Crystallographica Section E","2011","67","1","o49","","10.1107/S1600536810050294","","","0.71073","MoKα","","0.1262","0.0828","","","0.1751","0.1952","","","","","","1.145","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228665","15.0442","0.001","5.5851","0.0003","17.1939","0.001","90","","91.466","0.006","90","","1444.22","0.15","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","isonipecotamide 5-nitrosalicylate","4-carbamoylpiperidine 2-hydroxy-5-nitrobenzoate","","- C13 H17 N3 O6 -","- C13 H17 N3 O6 -","- C52 H68 N12 O24 -","4","1","BT5426","Smith, Graham; Wermuth, Urs D.","4-Carbamoylpiperidinium 5-nitrosalicylate","Acta Crystallographica Section E","2011","67","1","o122","","10.1107/S1600536810050129","","","0.71073","MoKα","","0.077","0.0402","","","0.083","0.0923","","","","","","0.948","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228666","6.4328","0.0009","10.343","0.001","11.207","0.001","78.78","0.01","73.84","0.01","84.62","0.01","701.88","0.14","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-<i>N</i>-(2-methylbenzoyl)benzenesulfonamide","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C28 H24 Cl2 N2 O6 S2 -","2","1","BT5427","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2-methylbenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","1","o22","","10.1107/S1600536810050087","","","1.5418","CuKα","","0.0591","0.0517","","","0.1408","0.1469","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228667","8.56","0.0004","14.5379","0.0005","23.3751","0.0009","90","","90","","90","","2908.9","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)zinc(II)","","- C12 H8 Br2 N4 Zn -","- C12 H8 Br2 N4 Zn -","- C96 H64 Br16 N32 Zn8 -","8","1","BT5431","Ghiasi, Reza","Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)zinc(II)","Acta Crystallographica Section E","2011","67","1","m101","","10.1107/S1600536810051342","","","0.71073","MoKα","","0.0593","0.0349","","","","0.07","","","","","","0.973","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228668","7.5992","0.0009","10.876","0.001","11.346","0.001","73.868","0.008","75.927","0.009","70.994","0.008","839.58","0.15","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-<i>N</i>-(4-chlorobenzoyl)benzenesulfonamide toluene hemisolvate","","- C16.5 H13 Cl2 N O3 S -","- C16.5 H13 Cl2 N O3 S -","- C33 H26 Cl4 N2 O6 S2 -","2","1","BT5432","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","2-Chloro-<i>N</i>-(4-chlorobenzoyl)benzenesulfonamide toluene hemisolvate","Acta Crystallographica Section E","2011","67","1","o146","","10.1107/S1600536810052281","","","0.71073","MoKα","","0.0457","0.0389","","","0.0941","0.0988","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2228669","8.0659","0.0007","15.9004","0.0013","8.429","0.0007","90","","119.361","0.001","90","","942.17","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Mesitylformamide","<i>N</i>-(2,4,6-Trimethylphenyl)formamide","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","BT5433","Landman, Marilé; van der Westhuizen, Belinda; Bezuidenhout, Daniela I.; Liles, David C.","<i>N</i>-(2,4,6-Trimethylphenyl)formamide","Acta Crystallographica Section E","2011","67","1","o120","","10.1107/S1600536810051469","","","0.71073","MoKα","","0.0507","0.0477","","","0.1352","0.1382","","","","","","1.094","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228670","12.612","0.003","11.291","0.002","9.892","0.002","90","","95.46","0.03","90","","1402.3","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(3,4-Dimethoxybenzylidene)benzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","BT5434","Hashemian, Saeedeh; Ghaeinee, Vahideh; Notash, Behrouz","<i>N</i>'-(3,4-Dimethoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","1","o171","","10.1107/S1600536810052128","","","0.71073","MoKα","","0.0635","0.0495","","","0.1236","0.1308","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228671","5.2385","0.0008","10.7215","0.0017","20.59","0.003","90","","92.699","0.005","90","","1155.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-[2-(4-Methylbenzylidene)hydrazinyl]pyridine","","- C13 H13 N3 -","- C13 H13 N3 -","- C52 H52 N12 -","4","1","BT5435","Yuvaraj, Haldorai; Sundaramoorthy, S.; Velmurugan, D.; Kalkhambkar, Rajesh G.","(<i>Z</i>)-2-[2-(4-Methylbenzylidene)hydrazinyl]pyridine","Acta Crystallographica Section E","2011","67","1","o178","","10.1107/S1600536810052372","","","0.71073","MoKα","","0.1177","0.0451","","","0.1151","0.1541","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228672","9.0432","0.0002","11.5111","0.0002","17.2212","0.0004","90","","110.87","0.001","90","","1675.06","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7,7'-Dihydroxy-4,4'-dimethyl-3,4-dihydro-2<i>H</i>,2'<i>H</i>- 4,6'-bichromene-2,2'-dione","","- C20 H16 O6 -","- C20 H16 O6 -","- C80 H64 O24 -","4","1","BT5436","Pereira Silva, P. S.; Parveen, Mehtab; Ali, Akhtar; Malla, Ali Mohammed; Ramos Silva, M.","7,7'-Dihydroxy-4,4'-dimethyl-3,4-dihydro-2<i>H</i>,2'<i>H</i>-4,6'-bichromene-2,2'-dione","Acta Crystallographica Section E","2011","67","1","o201","","10.1107/S160053681005244X","","","0.71073","MoKα","","0.0544","0.0404","","","0.1011","0.109","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228673","10.405","0.001","10.6131","0.0011","11.2529","0.0013","82.371","0.001","83.743","0.001","87.33","0.002","1223.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) 3.5-hydrate","","- C16 H29 Co N4 O13.5 -","- C16 H29 Co N4 O13.5 -","- C32 H58 Co2 N8 O27 -","2","1","BT5437","Li, Shi-Jie; Miao, Dong-Liang; Song, Wen-Dong; Tong, Shao-Wei; An, Jing-Bo","Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) 3.5-hydrate","Acta Crystallographica Section E","2011","67","1","m106","m107","10.1107/S1600536810052785","","","0.71073","MoKα","","0.0959","0.0504","","","0.0905","0.1011","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228674","6.302","0.0003","16.0828","0.0008","11.2205","0.0006","90","","95.93","0.002","90","","1131.15","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetraminium fumarate","3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane (<i>E</i>)-3-carboxyprop-2-enoate","","- C10 H16 N4 O4 -","- C10 H16 N4 O4 -","- C40 H64 N16 O16 -","4","1","BT5439","Lemmerer, Andreas","Redetermination of the salt hexamethylenetetraminium fumarate","Acta Crystallographica Section E","2011","67","1","o214","","10.1107/S1600536810052700","","","0.71073","MoKα","","","0.0449","","","","0.1276","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228675","14.346","0.002","5.0225","0.0009","17.86","0.003","90","","112","0.02","90","","1193.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(3,5-Dimethylphenyl)succinamic acid","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","BT5440","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3,5-Dimethylphenyl)succinamic acid","Acta Crystallographica Section E","2011","67","1","o234","","10.1107/S1600536810053055","","","0.71073","MoKα","","0.0904","0.0537","","","0.1284","0.1471","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228676","7.224","0.001","14.975","0.002","13.17","0.002","90","","97.16","0.01","90","","1413.6","0.3","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(2,3-dichlorophenyl)benzenesulfonamide","","- C12 H8 Cl3 N O2 S -","- C12 H8 Cl3 N O2 S -","- C48 H32 Cl12 N4 O8 S4 -","4","1","BT5445","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2,3-dichlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","1","o232","","10.1107/S1600536810053638","","","1.5418","CuKα","","0.0478","0.0431","","","0.1335","0.1369","","","","","","1.149","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228677","6.174","0.0003","8.7979","0.0005","14.2036","0.0007","90","","90","","90","","771.51","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-iminiumyl-1,3-diazepane-4-carboxylate","","- C6 H11 N3 O2 -","- C6 H11 N3 O2 -","- C24 H44 N12 O8 -","4","1","BX2320","Yang, Feng","2-Iminiumyl-1,3-diazepane-4-carboxylate","Acta Crystallographica Section E","2011","67","1","o10","","10.1107/S1600536810049676","","","0.71073","MoKα","","0.0519","0.0417","","","0.1095","0.1162","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228678","11.633","0.003","8.709","0.002","16.692","0.004","90","","91.278","0.005","90","","1690.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1-(3-cyanobenzyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)","","- C34 H22 N8 Ni S4 -","- C34 H22 N8 Ni S4 -","- C68 H44 N16 Ni2 S8 -","2","0.5","BX2332","Xian, Hua; Duan, Hai-Bao","Bis[1-(3-cyanobenzyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)","Acta Crystallographica Section E","2011","67","1","m70","","10.1107/S1600536810051263","","","0.7107","MoKα","","0.1194","0.0756","","","0.116","0.1298","","","","","","1.176","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228679","11.6712","0.0003","12.5316","0.0003","12.8561","0.0003","76.678","0.001","66.845","0.001","81.971","0.001","1679.79","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","μ-Decanedioato-bis[aquabis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II)] dinitrate‒sebacic acid‒water (1/1/2)","","- C68 H74 Mn2 N10 O18 -","- C68 H74 Mn2 N10 O18 -","- C68 H74 Mn2 N10 O18 -","1","0.5","BX2333","Feng, Ye-Qiang; Long, Jian; Li, Juan","μ-Decanedioato-bis[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)] dinitrate‒sebacic acid‒water (1/1/2)","Acta Crystallographica Section E","2011","67","1","m80","m81","10.1107/S1600536810051615","","","0.71073","MoKα","","0.0487","0.0361","","","0.079","0.0851","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228680","15.026","0.0015","10.0614","0.0011","10.4862","0.0012","90","","105.956","0.001","90","","1524.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6'-amino-5'-cyano-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C64 H52 N12 O16 -","4","1","BX2334","Zhu, Song-Lei; Liu, Ting","Methyl 6'-amino-5'-cyano-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate","Acta Crystallographica Section E","2011","67","1","o238","","10.1107/S1600536810053274","","","0.71073","MoKα","","0.0715","0.0446","","","0.1043","0.1267","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228681","5.0456","0.0006","17.128","0.002","16.54","0.002","90","","97.13","0.01","90","","1418.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2,6-Dichlorophenyl)-4-methylbenzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","BX2335","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,6-Dichlorophenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","1","o142","","10.1107/S1600536810051792","","","0.71073","MoKα","","0.046","0.0384","","","0.0962","0.1018","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228682","8.7812","0.0014","9.677","0.0012","11.614","0.002","93.136","0.01","112.059","0.009","116.389","0.007","789.6","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","5-pentyl-1<i>H</i>-tetrazole","","- C6 H12 N4 -","- C6 H12 N4 -","- C24 H48 N16 -","4","2","BX2337","Rieth, Thorsten; Schollmeyer, Dieter; Detert, Heiner","5-Pentyl-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2011","67","1","o156","","10.1107/S1600536810052244","","","1.54178","CuKα","","0.0422","0.0395","","","0.1071","0.1093","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228683","6.9179","0.0003","8.2866","0.0003","13.4395","0.0005","72.188","0.003","87.292","0.003","69.045","0.003","683.31","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium tetrachloridocobaltate(II)","","- C6 H18 Cl4 Co N2 -","- C6 H18 Cl4 Co N2 -","- C12 H36 Cl8 Co2 N4 -","2","1","CV2786","Baughman, Russell G.; Shane, Rebecca S.; McCormick, James M.","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium tetrachloridocobaltate(II)","Acta Crystallographica Section E","2011","67","1","m1","","10.1107/S1600536810048749","","","0.71073","MoKα","","0.0369","0.0349","","","0.0954","0.0974","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228684","7.6152","0.0006","7.813","0.0006","12.0454","0.0009","98.339","0.002","94.982","0.001","100.264","0.002","693.06","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1-(2-Bromobenzoyl)-6,7-(methylenedioxy)isoquinoline","(2-Bromophenyl)(2<i>H</i>-naphtho[2,3-<i>d</i>][1,3]dioxol-5-yl)methanone","","- C17 H10 Br N O3 -","- C17 H10 Br N O3 -","- C34 H20 Br2 N2 O6 -","2","1","CV5003","Achiwawanich, Supakit; Khunnawutmanotham, Nisachon; Techasakul, Supanna; Chaichit, Narongsuk; Siripaisarnpipat, Sutatip","1-(2-Bromobenzoyl)-6,7-(methylenedioxy)isoquinoline","Acta Crystallographica Section E","2011","67","1","o112","","10.1107/S1600536810051329","","","0.71073","MoKα","","0.0513","0.0435","","","0.1245","0.1301","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228685","9.384","0.0013","13.3023","0.0014","16.667","0.002","90","","95.311","0.004","90","","2071.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,4-dimethoxyphenyl)(phenyl)phosphine selenide","","- C22 H23 O4 P Se -","- C22 H23 O4 P Se -","- C88 H92 O16 P4 Se4 -","4","1","CV5007","Muller, Alfred","Bis(2,4-dimethoxyphenyl)(phenyl)phosphine selenide","Acta Crystallographica Section E","2011","67","1","o97","","10.1107/S1600536810049366","","","0.71073","MoKα","","","0.029","","","","0.0783","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228686","4.6777","0.0016","11.726","0.004","13.328","0.005","90","","94.224","0.007","90","","729.1","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-<i>N</i>'-(2- chlorobenzylidene)acetohydrazide","","- C15 H12 Cl N5 O -","- C15 H12 Cl N5 O -","- C30 H24 Cl2 N10 O2 -","2","1","CV5009","He, Guo-Fang; Shi, Zhi-Qiang","2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-<i>N</i>'-(2-chlorobenzylidene)acetohydrazide","Acta Crystallographica Section E","2011","67","1","o48","","10.1107/S1600536810050440","","","0.71073","MoKα","","0.0747","0.0433","","","0.0757","0.0894","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228687","10.661","0.003","13.515","0.003","8.998","0.003","90","","98.15","0.003","90","","1283.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Fluoro-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide","","- C14 H11 F N2 O2 -","- C14 H11 F N2 O2 -","- C56 H44 F4 N8 O8 -","4","1","CV5010","Xu, Cheng-Bi; Wang, Zong-Gui; Nan, Yi; Yuan, Ling; Wang, Rong; Zhang, Shu-Xiang","2-Fluoro-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","1","o69","","10.1107/S1600536810050841","","","0.71073","MoKα","","0.1724","0.0642","","","0.1481","0.1977","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228688","13.612","0.002","12.278","0.002","7.925","0.001","90","","92.802","0.003","90","","1322.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Fluoro-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","","- C15 H13 F N2 O2 -","- C15 H13 F N2 O2 -","- C60 H52 F4 N8 O8 -","4","1","CV5011","Xu, Cheng-Bi; Wang, Zong-Gui; Nan, Yi; Yuan, Ling; Wang, Rong; Zhang, Shu-Xiang","2-Fluoro-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","1","o70","","10.1107/S1600536810050853","","","0.71073","MoKα","","0.1017","0.0575","","","0.1489","0.1644","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228689","12.3642","0.0004","12.8445","0.0005","43.5584","0.0015","90","","90","","90","","6917.6","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3a<i>S</i>,4a<i>R</i>,4b<i>S</i>,5<i>R</i>,6a<i>R</i>,10a<i>R</i>, 10b<i>R</i>,12a<i>S</i>)-1-(furan-3-yl)-5-hydroxy-4b,7,7,10a,12a-pentamethyl- 4b,5,6,6a,7,10a,10b,11,12,12a-decahydronaphtho[2,1-<i>f</i>]oxireno[2,3- <i>d</i>]isochromene-3,8(1<i>H</i>,3a<i>H</i>)-dione","","- C26 H32 O6 -","- C26 H32 O6 -","- C312 H384 O72 -","12","3","CV5013","Ravangpai, Warin; Theerawattananond, Thapong; Pengpreecha, Somjai; Muangsin, Nongnuj; Pudhom, Khanitha","7-Deacetylgedunin","Acta Crystallographica Section E","2011","67","1","o158","o159","10.1107/S1600536810052037","","","0.71073","MoKα","","","0.0677","","","","0.2115","","","","","","0.986","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228690","6.9041","0.0005","8.4887","0.0006","10.6463","0.0007","76.423","0.001","86.955","0.001","89.969","0.001","605.61","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(<i>RS</i>)-1-[5-(2-Chloropropyl)indolin-1-yl]ethanone","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C26 H32 Cl2 N2 O2 -","2","1","DN2631","Yang, Xue-Mei","(<i>RS</i>)-1-[5-(2-Chloropropyl)indolin-1-yl]ethanone","Acta Crystallographica Section E","2011","67","1","o51","","10.1107/S1600536810050476","","","0.71073","MoKα","","0.0503","0.0405","","","0.1051","0.113","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228691","8.1634","0.001","7.707","0.002","25.68","0.006","90","","102.686","0.019","90","","1576.2","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diethylanilinium dihydrogen phosphate‒phosphoric acid (1/1)","","- C10 H21 N O8 P2 -","- C10 H21 N O8 P2 -","- C40 H84 N4 O32 P8 -","4","1","DN2632","Khemiri, Hamed; Akriche, Samah Toumi; Al-Deyab, Salem S.; Rzaigui, Mohamed","2,6-Diethylanilinium dihydrogen phosphate‒phosphoric acid (1/1)","Acta Crystallographica Section E","2011","67","1","o101","","10.1107/S1600536810051159","","","0.71073","MoKα","","0.0425","0.0359","","","0.0995","0.1035","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228692","6.6113","0.0013","6.8404","0.0014","10.392","0.002","85.64","0.03","89.47","0.03","66.09","0.03","428.27","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato)zinc(II)","","- C20 H14 O10 Zn -","- C20 H14 O10 Zn -","- C20 H14 O10 Zn -","1","0.5","DN2633","Cui, Yue; Gao, Qian; Wang, Huan-Huan; Wang, Lin; Xie, Ya-Bo","Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato)zinc(II)","Acta Crystallographica Section E","2011","67","1","m69","","10.1107/S1600536810050865","","","0.71073","MoKα","","0.0221","0.0219","","","0.0605","0.0607","","","","","","1.12","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228693","13.3271","0.0004","5.9025","0.0002","13.0396","0.0004","90","","92.812","0.001","90","","1024.5","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-2-sulfanylidene-1,3-thiazolidin-4-one","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C40 H36 N4 O4 S8 -","4","1","DN2634","Shahwar, Durre; Tahir, M. Nawaz; Raza, Muhammad Asam; Ahmad, Naeem; Aslam, Saherish","3-Benzyl-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","1","o133","","10.1107/S1600536810051548","","","0.71073","MoKα","","0.0359","0.0301","","","0.0729","0.0791","","","","","","1.068","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228694","6.887","0.002","7.52","0.0015","12.258","0.005","78.16","0.04","83.42","0.04","66.68","0.03","570.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis{triaqua[5-(1-oxopyridin-4-yl)tetrazol-1-ido]sodium}","","- C12 H24 N10 Na2 O10 -","- C12 H24 N10 Na2 O10 -","- C12 H24 N10 Na2 O10 -","1","0.5","DN2636","Dai, Jing; Chen, Xin-Yuan","Di-μ-aqua-bis{triaqua[5-(1-oxopyridin-4-yl)tetrazol-1-ido]sodium}","Acta Crystallographica Section E","2011","67","1","m111","","10.1107/S1600536810052566","","","0.71073","MoKα","","0.06","0.0409","","","0.0993","0.1084","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228695","7.0983","0.0009","21.644","0.002","8.1583","0.0009","90","","100.327","0.012","90","","1233.1","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-methylimidazolium picrate","2-methyl-1H-imidazol-3-ium 2,4,6-trinitrophenolate","","- C10 H9 N5 O7 -","- C10 H9 N5 O7 -","- C40 H36 N20 O28 -","4","1","DN2638","Dutkiewicz, Grzegorz; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.; Kubicki, Maciej","2-Methylimidazolium picrate","Acta Crystallographica Section E","2011","67","1","o235","","10.1107/S1600536810053390","","","0.71073","MoKα","","0.0582","0.0394","","","0.0963","0.1007","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228696","14.4173","0.0009","9.5002","0.0006","11.2857","0.0007","90","","92.632","0.001","90","","1544.14","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-4-(4-carboxyphenoxy)phthalato]bis[triaquanickel(II)]","","- C30 H28 Ni2 O20 -","- C30 H28 Ni2 O20 -","- C60 H56 Ni4 O40 -","2","0.5","DS2071","Cai, Xue","Bis[μ-4-(4-carboxyphenoxy)phthalato]bis[triaquanickel(II)]","Acta Crystallographica Section E","2011","67","1","m60","","10.1107/S1600536810049718","","","0.71073","MoKα","","0.0406","0.0301","","","0.0657","0.0692","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228697","5.464","0.0002","10.7798","0.0005","16.255","0.0007","90","","90","","90","","957.43","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-[4-(Carboxymethyl)phenoxy]acetic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","DS2074","Fu, Jun-Dan; Wen, Yi-Hang","2-[4-(Carboxymethyl)phenoxy]acetic acid","Acta Crystallographica Section E","2011","67","1","o167","","10.1107/S1600536810051810","","","0.71073","MoKα","","","0.0373","","","0.0871","0.0987","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228698","9.4033","0.0004","12.2591","0.0004","15.929","0.0007","90","","96.144","0.001","90","","1825.68","0.13","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2-(2-Chlorophenyl)-2-hydroxyethyl](isopropyl)ammonium 4-hydroxybenzoate","","- C18 H22 Cl N O4 -","- C18 H22 Cl N O4 -","- C72 H88 Cl4 N4 O16 -","4","1","DS2076","Zhou, Ling; Qi, Yang Guang; Zhang, Ge; Xu, Yu Yun; Feng, Hai","[2-(2-Chlorophenyl)-2-hydroxyethyl](isopropyl)ammonium 4-hydroxybenzoate","Acta Crystallographica Section E","2011","67","1","o192","","10.1107/S1600536810051536","","","0.71073","MoKα","","0.0655","0.0411","","","0.0943","0.11","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228699","9.543","0.001","13.628","0.002","10.893","0.001","90","","94.85","0.01","90","","1411.6","0.3","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3,4-Dichlorophenyl)-4-methylbenzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","DS2077","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3,4-Dichlorophenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","1","o104","","10.1107/S1600536810051305","","","1.5418","CuKα","","0.1092","0.0861","","","0.2125","0.2357","","","","","","1.032","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228700","4.96","0.001","8.09","0.002","13.893","0.002","83.52","0.02","80.08","0.02","78.15","0.01","535.7","0.19","299","2","299","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>-(4-Methylphenyl)succinamic acid","3-[(4-methylphenyl)carbamoyl]propanoic acid","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","DS2081","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme; Fuess, Hartmut","<i>N</i>-(4-Methylphenyl)succinamic acid","Acta Crystallographica Section E","2011","67","1","o227","","10.1107/S1600536810053298","","","1.5418","CuKα","","0.0763","0.0641","","","0.1787","0.1936","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228701","7.8226","0.001","8.2415","0.0012","18.4582","0.0019","90","","112.244","0.004","90","","1101.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[1-(3-Chloro-4-fluorophenyl)ethylidene]hydrazinecarbothioamide","","- C9 H9 Cl F N3 S -","- C9 H9 Cl F N3 S -","- C36 H36 Cl4 F4 N12 S4 -","4","1","FB2232","Zhai, Xiu-Rong","(<i>E</i>)-2-[1-(3-Chloro-4-fluorophenyl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2011","67","1","o76","","10.1107/S1600536810051093","","","0.71073","MoKα","","0.0492","0.0437","","","0.1221","0.1276","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228702","16.638","0.004","10.5589","0.0019","14.327","0.003","90","","110.758","0.004","90","","2353.6","0.9","193.1","","193.1","","","","","","","","","8","C 1 c 1","C -2yc","9","","(η^6^-Benzene){2-[2-(<i>tert</i>-butylsulfanyl)phenyl]pyridine- κ^2^<i>N</i>,<i>S</i>}chloridoruthenium(II) hexafluoridophosphate","","- C21 H23 Cl F6 N P Ru S -","- C21 H23 Cl F6 N P Ru S -","- C84 H92 Cl4 F24 N4 P4 Ru4 S4 -","4","1","FJ2364","Hirotsu, Masakazu; Yogi, Akira; Kinoshita, Isamu","(η^6^-Benzene){2-[2-(<i>tert</i>-butylsulfanyl)phenyl]pyridine-κ^2^<i>N</i>,<i>S</i>}chloridoruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2011","67","1","m63","","10.1107/S1600536810049810","","","0.7107","MoKα","","0.0417","0.0369","","","","0.0783","","","","","","1.027","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228703","11.2738","0.0002","26.8015","0.0005","14.3886","0.0004","90","","127.934","0.001","90","","3429.02","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nitrato- κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')praseodymium(III)","","- C38 H26 N5 O11 Pr -","- C38 H26 N5 O11 Pr -","- C152 H104 N20 O44 Pr4 -","4","1","FJ2366","Wang, Chiya; Gu, Xiaojin; Wang, Xinqing; Jin, Hongxiao","Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')praseodymium(III)","Acta Crystallographica Section E","2011","67","1","m5","","10.1107/S1600536810049767","","","0.71073","MoKα","","0.0379","0.0349","","","0.0737","0.0748","","","","","","1.234","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228704","11.3861","0.0007","13.0517","0.0009","17.0448","0.0011","81.245","0.008","72.473","0.007","68.983","0.007","2251.9","0.3","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol- 2-ylidene]dichloridodinitrosyltungsten(II) tetrahydrofuran-<i>d</i>~8~ monosolvate","","- C46 H48 Cl2 D8 N6 O3 W -","- C46 H48 Cl2 D8 N6 O3 W -","- C92 H96 Cl4 D16 N12 O6 W2 -","2","1","FJ2368","Fraga-Hernández, Javier; Blacque, Olivier; Berke, Heinz","Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene]dichloridodinitrosyltungsten(II) tetrahydrofuran-<i>d</i>~8~ monosolvate","Acta Crystallographica Section E","2011","67","1","m31","","10.1107/S1600536810050099","","","0.71073","MoKα","","","0.0256","","","","0.0757","","","","","","1.116","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228705","10.2807","0.0002","16.6322","0.0002","11.4736","0.0002","90","","113.439","0.001","90","","1799.99","0.05","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[4-(hexyloxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","FJ2369","Ngaini, Zainab; Fadzillah, Siti Muhaini Haris; Hussain, Hasnain; Razak, Ibrahim Abdul; Fun, Hoong-Kun","(<i>E</i>)-1-[4-(Hexyloxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","1","o169","o170","10.1107/S1600536810052086","","","0.71073","MoKα","","0.0606","0.0476","","","0.1258","0.135","","","","","","1.032","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228706","13.9062","0.0008","12.6837","0.0007","14.7938","0.0008","90","","90","","90","","2609.4","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[μ-Bis(diphenylphosphanyl)acetonitrile- κ^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)]","","- C26 H21 Au2 Cl2 N P2 -","- C26 H21 Au2 Cl2 N P2 -","- C104 H84 Au8 Cl8 N4 P8 -","4","1","FJ2370","Sithole, Sicelo V.; Staples, Richard J.; van Zyl, Werner E.","[μ-Bis(diphenylphosphanyl)acetonitrile-κ^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)]","Acta Crystallographica Section E","2011","67","1","m64","","10.1107/S1600536810049834","","","0.71073","MoKα","","0.0257","0.0249","","","0.0629","0.0632","","","","","","1.053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228707","11.9126","0.0005","12.1197","0.0006","6.478","0.0003","90","","113.812","0.002","90","","855.66","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver trimagnesium phosphate bis(hydrogenphosphate)","","- Ag H2 Mg3 O12 P3 -","- Ag H2 Mg3 O12 P3 -","- Ag4 H8 Mg12 O48 P12 -","4","0.5","FJ2371","Assani, Abderrazzak; Saadi, Mohamed; Zriouil, Mohammed; El Ammari, Lahcen","Silver trimagnesium phosphate bis(hydrogenphosphate), AgMg~3~(PO~4~)(HPO~4~)~2~, with an alluaudite-like structure","Acta Crystallographica Section E","2011","67","1","i5","","10.1107/S1600536810053304","","","0.71073","MoKα","","0.0336","0.0264","","","0.0716","0.0749","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228708","6.7157","0.0004","14.6544","0.0013","7.2993","0.0006","90","","92.566","0.005","90","","717.64","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Pyridin-3-yl)propionic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","FJ2372","Lemmerer, Andreas","3-(Pyridin-3-yl)propionic acid","Acta Crystallographica Section E","2011","67","1","o215","","10.1107/S1600536810052384","","","0.71073","MoKα","","","0.0401","","","","0.1146","","","","","","1.018","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228709","24.7322","0.0013","11.2183","0.0005","15.0522","0.0008","90","","97.643","0.006","90","","4139.2","0.4","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol-2- ylidene]dinitrosyl(tetrahydroborato-κ^2^<i>H</i>,<i>H</i>')tungsten(0)","","- C42 H52 B N6 O2 W -","- C42 H52 B N6 O2 W -","- C168 H208 B4 N24 O8 W4 -","4","1","FJ2374","Fraga-Hernández, Javier; Blacque, Olivier; Berke, Heinz","Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene]dinitrosyl(tetrahydroborato-κ^2^<i>H</i>,<i>H</i>')tungsten(0)","Acta Crystallographica Section E","2011","67","1","m94","m95","10.1107/S1600536810052426","","","0.71073","MoKα","","","0.0369","","","","0.1132","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228710","6.0593","0.0004","7.2095","0.0007","21.8937","0.0019","90","","91.86","0.007","90","","955.91","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-[4-(Dimethylamino)phenyl]-1-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a- octahydronaphthalen-2-yl)prop-2-en-1-one","","- C23 H31 N O -","- C23 H31 N O -","- C46 H62 N2 O2 -","2","1","FJ2378","Tebbaa, Mohamed; Akssira, Mohamed; Elhakmaoui, Ahmed; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha","3-[4-(Dimethylamino)phenyl]-1-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","1","o237","","10.1107/S160053681005333X","","","0.71073","MoKα","","0.0377","0.0327","","","0.0864","0.0886","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228711","17.9091","0.0004","13.6851","0.0002","19.465","0.0004","90","","106.161","0.002","90","","4582.12","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,3,5,6-tetra-2-pyridylpyrazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)nickel(II) dithiocyanate dihydrate","","- C50 H36 N14 Ni O2 S2 -","- C50 H36 N14 Ni O2 S2 -","- C200 H144 N56 Ni4 O8 S8 -","4","0.5","FJ2379","De la Pinta, Noelia; Fidalgo, M. Luz; Ezpeleta, José M.; Cortés, Roberto; Madariaga, Gotzon","Bis(2,3,5,6-tetra-2-pyridylpyrazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)nickel(II) dithiocyanate dihydrate","Acta Crystallographica Section E","2011","67","1","m129","m130","10.1107/S1600536810053419","","","0.71073","MoKα","","0.0694","0.0477","","","","0.1233","","","","","","0.944","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228712","6.1298","0.0012","6.8194","0.0014","23.426","0.005","90","","90","","90","","979.2","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-[3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C40 H36 N12 O12 -","4","1","FK2032","Zhang, Fang; Liu, Fei; Chen, Qifan; Dong, Mingdong","3-[3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid","Acta Crystallographica Section E","2011","67","1","o193","","10.1107/S1600536810051639","","","0.71073","MoKα","","0.0415","0.0339","","","0.0809","0.0833","","","","","","1","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2228713","11.595","0.004","12.382","0.004","14.073","0.004","106.228","0.004","91.767","0.003","114.627","0.002","1738.2","1","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","2-[4-(2-Methoxyphenyl)piperazin-1-yl]-<i>N</i>-(pyridin-2-yl)acetamide","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","2","FK2033","Lu, Chunxiong; Jiang, Quanfu","2-[4-(2-Methoxyphenyl)piperazin-1-yl]-<i>N</i>-(pyridin-2-yl)acetamide","Acta Crystallographica Section E","2011","67","1","o223","","10.1107/S1600536810053067","","","0.71073","MoKα","","0.1055","0.0552","","","0.1146","0.1343","","","","","","1.002","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2228714","9.106","0.007","10.819","0.009","13.325","0.004","70.052","0.006","70.02","0.01","65.11","0.01","1088.7","1.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-[3-((<i>Z</i>)-2-{4-[Bis(2-chloroethyl)amino]phenyl}ethenyl)-5,5- dimethylcyclohex-2-en-1-ylidene]propanedinitrile","","- C23 H25 Cl2 N3 -","- C23 H25 Cl2 N3 -","- C46 H50 Cl4 N6 -","2","1","FL2317","Liu, Li; Shao, Ying; Shi, Jie-Ping; Hu, Hong-Wen; Lu, Guo-Yuan","2-[3-((<i>Z</i>)-2-{4-[Bis(2-chloroethyl)amino]phenyl}ethenyl)-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile","Acta Crystallographica Section E","2011","67","1","o124","","10.1107/S1600536810051068","","","0.71073","MoKα","","0.0595","0.0519","","","0.1427","0.1491","","","","","","1.084","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228715","22.81","0.02","26.47","0.03","30.77","0.03","90","","90","","90","","18578","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[3α,7α,12α-tris(4-nitrobenzoyloxy)-5β-cholan-24-yl] disulfide‒ethyl acetate‒<i>n</i>-hexane (4/4/1)","","- C95.5 H111.5 N6 O26 S2 -","- C95.5 H111.5 N6 O26 S2 -","- C764 H892 N48 O208 S16 -","8","2","GK2316","Brzezinski, Krzysztof; Tomkiel, Aneta M.; Łotowski, Zenon; Morzycki, Jacek; Dauter, Zbigniew","Bis[3α,7α,12α-tris(4-nitrobenzoyloxy)-5β-cholan-24-yl] disulfide‒ethyl acetate‒<i>n</i>-hexane (4/4/1)","Acta Crystallographica Section E","2011","67","1","o74","o75","10.1107/S1600536810050385","","","0.5904","synchrotron","","0.047","0.0454","","","0.1336","0.1352","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228716","7.8075","0.0009","34.22","0.003","10.6886","0.0012","90","","110.074","0.001","90","","2682.2","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Di-μ-thiocyanato-bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba- <i>closo</i>-dodecaborane]silver(I)}","","- C30 H76 Ag2 B20 N2 P4 S2 -","- C30 H76 Ag2 B20 N2 P4 S2 -","- C60 H152 Ag4 B40 N4 P8 S4 -","2","0.5","GK2319","Yang, Liguo; Zhu, Chengchen; Li, Dacheng","Di-μ-thiocyanato-bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane]silver(I)}","Acta Crystallographica Section E","2011","67","1","m2","","10.1107/S1600536810049263","","","0.71073","MoKα","","0.0845","0.0522","","","0.0874","0.0989","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228717","6.8382","0.0002","7.7497","0.0002","11.8277","0.0005","97.805","0.002","92.119","0.002","114.425","0.001","562.39","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Methyl (2<i>Z</i>)-3-[(4-nitrophenyl)carbamoyl]prop-2-enoate","","- C11 H10 N2 O5 -","- C11 H10 N2 O5 -","- C22 H20 N4 O10 -","2","1","GK2328","Munawar, Khurram Shahzad; Ali, Saqib; Tahir, M. Nawaz","Methyl (2<i>Z</i>)-3-[(4-nitrophenyl)carbamoyl]prop-2-enoate","Acta Crystallographica Section E","2011","67","1","o77","","10.1107/S1600536810050956","","","0.71073","MoKα","","0.0406","0.0347","","","0.0919","0.0965","","","","","","1.079","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228718","10.7122","0.0004","17.1657","0.0007","7.7638","0.0003","90","","93.493","0.003","90","","1424.97","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(2-{1-[(2-morpholinoethyl)imino]ethyl}phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>)copper(II)","","- C14 H19 Cl Cu N2 O2 -","- C14 H19 Cl Cu N2 O2 -","- C56 H76 Cl4 Cu4 N8 O8 -","4","1","GK2329","Ikmal Hisham, Nurul Azimah; Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Chlorido(2-{1-[(2-morpholinoethyl)imino]ethyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","1","m57","","10.1107/S1600536810051160","","","0.71073","MoKα","","0.0465","0.0431","","","0.0942","0.0955","","","","","","1.102","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228719","5.7895","0.0004","7.8315","0.0006","8.846","0.0005","82.906","0.006","74.083","0.005","73.695","0.006","369.72","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-dicarboxamide","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","1","0.5","GK2331","Tsai, Ta-Pin; Hsiao, Hui-Lin; Chen, Jhy-Der","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-dicarboxamide","Acta Crystallographica Section E","2011","67","1","o63","","10.1107/S1600536810051172","","","0.71073","MoKα","","0.0477","0.0399","","","0.1062","0.1121","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228720","5.8281","0.0004","24.5421","0.0016","5.8776","0.0004","90","","105.908","0.004","90","","808.5","0.1","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,4<i>S</i>)-1-[(Benzylamino)methyl]-4-(prop-1-en-2- yl)cyclohexane-1,2-diol","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","GK2332","Outouch, Rachid; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado","(1<i>S</i>,2<i>R</i>,4<i>S</i>)-1-[(Benzylamino)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol","Acta Crystallographica Section E","2011","67","1","o195","o196","10.1107/S1600536810052323","","","1.54178","CuKα","","0.033","0.0314","","","0.0905","0.0919","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228721","5.895","0.0003","17.8634","0.001","18.214","0.0011","90","","90","","90","","1918.02","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-((<i>Z</i>)-{3-[(<i>Z</i>)-(2-Hydroxy-5-methylbenzylidene)amino]-2,2-dimethylpropyl}iminomethyl)-4-methylphenol","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","GW2096","Kia, Reza; Kargar, Hadi; Mirkhani, Valiollah; Ganji, Fatemeh; Tahir, Muhammad Nawaz","2-((<i>Z</i>)-{3-[(<i>Z</i>)-(2-Hydroxy-5-methylbenzylidene)amino]-2,2-dimethylpropyl}iminomethyl)-4-methylphenol","Acta Crystallographica Section E","2011","67","1","o130","","10.1107/S1600536810051688","","","0.71073","MoKα","","0.0885","0.0437","","","0.0932","0.1118","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228722","10.525","0.003","11.034","0.003","12.855","0.003","99.359","0.003","111.301","0.003","101.265","0.002","1318.8","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[tris(μ-2-aminobenzene-1,4-dicarboxylato)tetrakis(<i>N</i>,<i>N</i>- dimethylformamide)diyttrium(III)]","","- C36 H43 N7 O16 Y2 -","- C36 H43 N7 O16 Y2 -","- C36 H43 N7 O16 Y2 -","1","0.5","HB5707","Kandiah, Mathivathani; Wragg, David Stephen; Tilset, Mats; Lillerud, Karl Petter","Poly[tris(μ-2-aminobenzene-1,4-dicarboxylato)tetrakis(<i>N</i>,<i>N</i>-dimethylformamide)diyttrium(III)]","Acta Crystallographica Section E","2011","67","1","m44","m45","10.1107/S1600536810050555","","","0.71073","MoKα","","0.0478","0.0432","","","0.1174","0.1228","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228723","9.8505","0.0004","13.5256","0.0006","39.3169","0.0017","90","","90","","90","","5238.3","0.4","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ptilosarcenone 2.5-hydrate","ptilosarcenone 2.5-hydrate","","- C24 H34 Cl O10.5 -","- C24 H30 Cl O10.5 -","- C192 H240 Cl8 O84 -","8","2","HB5711","Nurco, Daniel J.; Conklin, Douglas E.; Shapiro, Nathan S.; Tran, Elaine","The absolute structure of ptilosarcenone 2.5-hydrate, a diterpenoid briarane from the orange sea pen <i>Ptilosarcus gurneyi</i> (Gray)","Acta Crystallographica Section E","2011","67","1","o181","o182","10.1107/S1600536810050142","","","0.71073","MoKα","","0.0702","0.0686","","","0.1713","0.1721","","","","","","1.224","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228724","15.6242","0.0019","18.743","0.0019","18.9689","0.0019","111.235","0.002","93.97","0.002","101.636","0.002","5009.4","0.9","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5<i>H</i>-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl- 1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate","","- C27 H21.13 N7 O4.06 S -","- C27 H21.125 N7 O4.0625 S -","- C216 H169 N56 O32.5 S8 -","8","4","HB5742","Fun, Hoong-Kun; Hemamalini, Madhukar; Nithinchandra; Kalluraya, Balakrishna","4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate","Acta Crystallographica Section E","2011","67","1","o128","o129","10.1107/S1600536810049998","","","0.71073","MoKα","","0.0738","0.0461","","","0.1144","0.141","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228725","6.7745","0.0014","14.22","0.003","15.629","0.003","90","","101.1","0.03","90","","1477.4","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-aqua-tetraaquadi-μ~3~-malonato-nickel(II)strontium(II)] dihydrate]","","- C6 H18 Ni O15 Sr -","- C6 H18 Ni O15 Sr -","- C24 H72 Ni4 O60 Sr4 -","4","1","HB5748","Guo, Ming-Lin; Liu, Long; Lu, Cong-Cong","Poly[[μ~2~-aqua-tetraaquadi-μ~3~-malonato-nickel(II)strontium(II)] dihydrate]","Acta Crystallographica Section E","2011","67","1","m19","m20","10.1107/S1600536810049779","","","0.71073","MoKα","","0.0382","0.0345","","","0.0955","0.0983","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228726","7.6936","0.0011","16.151","0.002","28.439","0.004","90","","90","","90","","3533.8","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)- 3,6,12-Triacetyl-20,24-epoxydammarane-3,6,12,25-tetraol","","- C36 H58 O8 -","- C36 H58 O8 -","- C144 H232 O32 -","4","1","HB5749","Guo, Huan-Mei; Wang, Liang; Wang, Nan; Zhang, Jiang-Feng; Meng, Qing-Guo","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)-3,6,12-Triacetyl-20,24-epoxydammarane-3,6,12,25-tetraol","Acta Crystallographica Section E","2011","67","1","o59","","10.1107/S1600536810050749","","","0.71073","MoKα","","0.0666","0.045","","","0.1061","0.1152","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228727","11.3466","0.0001","12.6474","0.0001","12.8135","0.0001","76.95","0.001","84.762","0.001","82.274","0.001","1771.51","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Tris(methylammonium thiocyanurate) monohydrate","","- C18 H38 N12 O S9 -","- C18 H38 N12 O S9 -","- C36 H76 N24 O2 S18 -","2","1","HB5752","Hou, Yimin; Yang, Yunxia","Tris(methylammonium thiocyanurate) monohydrate","Acta Crystallographica Section E","2011","67","1","o44","","10.1107/S1600536810050312","","","0.71073","MoKα","","0.042","0.0361","","","0.0977","0.103","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228728","22.509","0.005","5.3202","0.0011","20.855","0.004","90","","114.43","0.03","90","","2273.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>'-Benzylidenethiophene-2-carbohydrazide","","- C12 H10 N2 O S -","- C12 H10 N2 O S -","- C96 H80 N16 O8 S8 -","8","1","HB5756","Jiang, Jin-He","<i>N</i>'-Benzylidenethiophene-2-carbohydrazide","Acta Crystallographica Section E","2011","67","1","o50","","10.1107/S1600536810050154","","","0.71073","MoKα","","0.1398","0.0919","","","0.2879","0.3282","","","","","","1.111","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228729","15.4667","0.001","3.7648","0.0002","23.7598","0.0015","90","","93.015","0.003","90","","1381.6","0.14","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-4-chlorobenzoic acid","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C56 H48 Cl8 N8 O16 -","8","1","HB5757","Farag, Abeer Mohamed; Teoh, Siang Guan; Osman, Hasnah; Yeap, Chin Sing; Fun, Hoong-Kun","2-Amino-4-chlorobenzoic acid","Acta Crystallographica Section E","2011","67","1","o37","","10.1107/S1600536810050166","","","0.71073","MoKα","","0.0363","0.0303","","","0.0852","0.0891","","","","","","1.073","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228730","12.59","0.003","19.621","0.004","17.66","0.004","90","","101.77","0.03","90","","4270.8","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bromidotricarbonyl[2-(pyridin-2-yl-κ<i>N</i>)-5-<i>p</i>-tolyl-1,3,4- oxadiazole κ<i>N</i>^3^]rhenium(I) dichloromethane monosolvate","","- C18 H13 Br Cl2 N3 O4 Re -","- C18 H13 Br Cl2 N3 O4 Re -","- C144 H104 Br8 Cl16 N24 O32 Re8 -","8","1","HB5758","Shi, Lin-Fang; Li, Yan-wei; Si, Zhen-jun; Guan, Ying; Cao, Hua-ru","Bromidotricarbonyl[2-(pyridin-2-yl-κ<i>N</i>)-5-<i>p</i>-tolyl-1,3,4-oxadiazole-κ<i>N</i>^3^]rhenium(I) dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","1","m9","m10","10.1107/S160053681004969X","","","0.71073","MoKα","","0.0458","0.0398","","","0.0986","0.1028","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228731","7.2107","0.0014","7.3646","0.0015","15.327","0.003","90","","99.71","0.03","90","","802.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[di-μ-aqua-μ~4~-(pyrazine-2,5-dicarboxylato)-dilithium(I)]","","- C6 H6 Li2 N2 O6 -","- C6 H6 Li2 N2 O6 -","- C24 H24 Li8 N8 O24 -","4","1","HB5759","Starosta, Wojciech; Leciejewicz, Janusz","Poly[di-μ-aqua-μ~4~-(pyrazine-2,5-dicarboxylato)-dilithium(I)]","Acta Crystallographica Section E","2011","67","1","m50","m51","10.1107/S1600536810050762","","","0.71073","MoKα","","0.0786","0.0537","","","0.1434","0.161","","","","","","0.992","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228732","5.293","0.0006","12.5935","0.0016","17.954","0.002","90","","97.778","0.006","90","","1185.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(9<i>H</i>-Carbazol-9-yl)propan-1-ol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","HB5760","Haridharan, N.; Ramkumar, V.; Dhamodharan, R.","3-(9<i>H</i>-Carbazol-9-yl)propan-1-ol","Acta Crystallographica Section E","2011","67","1","o180","","10.1107/S1600536810051809","","","0.71073","MoKα","","0.1174","0.0552","","","0.1144","0.1421","","","","","","0.971","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228733","9.833","0.0004","19.0584","0.0009","11.9136","0.0004","90","","124.969","0.002","90","","1829.55","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(4-methylphenyl)phosphine selenide","","- C21 H21 P Se -","- C21 H21 P Se -","- C84 H84 P4 Se4 -","4","1","HB5761","Muller, Alfred","Tris(4-methylphenyl)phosphine selenide","Acta Crystallographica Section E","2011","67","1","o45","","10.1107/S1600536810050567","","","0.71073","MoKα","","0.043","0.0313","","","","0.0727","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228734","14.668","0.005","7.7356","0.0015","14.72","0.003","90","","104.11","0.04","90","","1619.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Methyl 3-(2-furylmethylidene)carbazate","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C56 H64 N16 O24 -","8","2","HB5763","Li, Yu-Feng","Methyl 3-(2-furylmethylidene)carbazate","Acta Crystallographica Section E","2011","67","1","o64","","10.1107/S1600536810051019","","","0.71073","MoKα","","0.0906","0.0716","","","0.1692","0.1858","","","","","","0.89","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228735","5.5488","0.0001","7.3656","0.0002","19.5477","0.0005","90","","99.416","0.002","90","","788.15","0.03","296","2","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1,2,4-Triazol-1-yl)aniline","","- C8 H8 N4 -","- C8 H8 N4 -","- C32 H32 N16 -","4","1","HB5764","Fun, Hoong-Kun; Quah, Ching Kheng; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","4-(1,2,4-Triazol-1-yl)aniline","Acta Crystallographica Section E","2011","67","1","o164","","10.1107/S1600536810052025","","","0.71073","MoKα","","0.0568","0.0441","","","0.1093","0.1181","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228736","6.3833","0.0002","4.0755","0.0001","35.9741","0.0012","90","","90.018","0.002","90","","935.87","0.05","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methylphenoxy)acetohydrazide","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C36 H48 N8 O8 -","4","1","HB5765","Fun, Hoong-Kun; Quah, Ching Kheng; Malladi, Shridhar; M., Vijesh A.; Isloor, Arun M.","2-(4-Methylphenoxy)acetohydrazide","Acta Crystallographica Section E","2011","67","1","o165","","10.1107/S1600536810051937","","","0.71073","MoKα","","0.0817","0.0665","","","0.1429","0.1491","","","","","","1.137","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228737","12.372","0.003","14.071","0.002","8.332","0.002","90","","97.582","0.003","90","","1437.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-<i>N</i>'-(2,4-dichlorobenzylidene)benzohydrazide","","- C14 H9 Cl3 N2 O -","- C14 H9 Cl3 N2 O -","- C56 H36 Cl12 N8 O4 -","4","1","HB5766","Lei, Yan","3-Chloro-<i>N</i>'-(2,4-dichlorobenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","1","o162","","10.1107/S1600536810051913","","","0.71073","MoKα","","0.1071","0.0544","","","0.1081","0.1289","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228738","19.917","0.002","23.047","0.002","11.5787","0.0012","90","","103.108","0.003","90","","5176.5","0.9","100","0.1","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Potassium bis[bis(1-benzyl-3-methylimidazolium)silver(I)] tris(hexafluoridophosphate)","","- C44 H48 Ag2 F18 K N8 P3 -","- C44 H48 Ag2 F18 K N8 P3 -","- C176 H192 Ag8 F72 K4 N32 P12 -","4","0.5","HB5767","Haque, Rosenani A.; Salman, Abbas Washeel; Whai, Choong Kah; Quah, Ching Kheng; Fun, Hoong-Kun","Potassium bis[bis(1-benzyl-3-methylimidazolium)silver(I)] tris(hexafluoridophosphate)","Acta Crystallographica Section E","2011","67","1","m97","m98","10.1107/S1600536810051925","","","0.71073","MoKα","","0.0421","0.035","","","0.1007","0.1236","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228739","8.5875","0.0017","9.0151","0.0018","11.353","0.002","77.89","0.03","69.96","0.03","73.66","0.03","786.1","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","4-[4,5-Bis(pyridin-2-yl)-1<i>H</i>-imidazol-2-yl]phenol monohydrate","","- C19 H16 N4 O2 -","- C19 H16 N4 O2 -","- C38 H32 N8 O4 -","2","1","HB5769","Xiao, Guo-Yong; Chi, Hai-Jun; Lei, Peng; Yu, Jiang-Long; Hu, Zhi-Zhi","4-[4,5-Bis(pyridin-2-yl)-1<i>H</i>-imidazol-2-yl]phenol monohydrate","Acta Crystallographica Section E","2011","67","1","o161","","10.1107/S1600536810052062","","","0.71073","MoKα","","0.0452","0.0376","","","0.1042","0.1091","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228740","7.837","0.003","15.971","0.005","6.694","0.002","90","","103.68","0.004","90","","814.1","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(4-Pyridyl)-1,3,4-thiadiazole-2(3<i>H</i>)-thione","","- C7 H5 N3 S2 -","- C7 H5 N3 S2 -","- C28 H20 N12 S8 -","4","1","HB5770","Liu, Xu-Feng; Liu, Xing-Hai","5-(4-Pyridyl)-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","1","o202","","10.1107/S1600536810052116","","","0.71073","MoKα","","0.0333","0.0276","","","0.0729","0.0755","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228741","16.664","0.002","9.7226","0.0011","15.507","0.002","90","","96.447","0.002","90","","2496.5","0.5","100","0.1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[(<i>E</i>)-2-Fluorobenzylidene]-8-(2-fluorophenyl)-2-hydroxy-10- methyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa- 1(20),12,14,16,18-pentaen-6-one","","- C33 H26 F2 N2 O2 -","- C33 H26 F2 N2 O2 -","- C132 H104 F8 N8 O8 -","4","1","HB5771","Kumar, Raju Suresh; Osman, Hasnah; Yeap, Chin Sing; Fun, Hoong-Kun","5-[(<i>E</i>)-2-Fluorobenzylidene]-8-(2-fluorophenyl)-2-hydroxy-10-methyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(20),12,14,16,18-pentaen-6-one","Acta Crystallographica Section E","2011","67","1","o211","o212","10.1107/S1600536810052815","","","0.71073","MoKα","","0.0727","0.0517","","","0.1488","0.181","","","","","","1.089","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228742","10.1838","0.0013","10.1838","0.0013","25.965","0.003","90","","90","","120","","2332.1","0.5","173","2","173","2","","","","","","","","4","P 61","P 61","169","","(<i>S</i>)-<i>N</i>-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C108 H120 N12 O6 -","6","1","HG2752","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik. G.; Maguire, Glenn. E.M.","(<i>S</i>)-<i>N</i>-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2011","67","1","o67","","10.1107/S1600536810050361","","","0.71073","MoKα","","0.0581","0.0355","","","0.0766","0.0879","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228743","11.164","0.002","9.5142","0.0019","16.135","0.003","90","","110.21","0.03","90","","1608.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-[1-(4-ethoxyphenyl)-1-methylethyl]-1-methylbenzene","","- C18 H21 Br O -","- C18 H21 Br O -","- C72 H84 Br4 O4 -","4","1","HG2759","Li, Yan; Kong, Xue; Chen, Guan-Hong; Chi, Jian-Guo; Wang, Jia-Ning","4-Bromo-2-[1-(4-ethoxyphenyl)-1-methylethyl]-1-methylbenzene","Acta Crystallographica Section E","2011","67","1","o21","","10.1107/S1600536810049445","","","0.71073","MoKα","","0.0723","0.0509","","","0.1185","0.1301","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228744","12.125","0.0019","13.913","0.002","16.598","0.003","90","","101.683","0.004","90","","2742","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4-Dimethyl-3,4-dihydropyrido[2',3':3,4]pyrazolo[1,5-<i>a</i>][1,3,5]triazin- 2-amine ethanol monosolvate","","- C12 H18 N6 O -","- C12 H18 N6 O -","- C96 H144 N48 O8 -","8","1","HG2760","Dolzhenko, Anton V.; Tan, Geok Kheng; Dolzhenko, Anna V.; Koh, Lip Lin; Chui, Wai Keung","4,4-Dimethyl-3,4-dihydropyrido[2',3':3,4]pyrazolo[1,5-<i>a</i>][1,3,5]triazin-2-amine ethanol monosolvate","Acta Crystallographica Section E","2011","67","1","o83","o84","10.1107/S160053681005097X","","","0.71073","MoKα","","0.0586","0.0498","","","0.1279","0.1332","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228745","22.142","0.008","11.016","0.004","5.992","0.002","90","","90","","90","","1461.5","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Phenyl-7-(4-pyridylmethylamino)-1,2,4- triazolo[1,5-<i>a</i>][1,3,5]triazin-5(4<i>H</i>)-one","","- C16 H13 N7 O -","- C16 H13 N7 O -","- C64 H52 N28 O4 -","4","1","HG2761","Dolzhenko, Anton V.; Tan, Geok Kheng; Dolzhenko, Anna V.; Koh, Lip Lin; Chui, Wai Keung","2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","1","o85","o86","10.1107/S1600536810051032","","","0.71073","MoKα","","0.0825","0.0669","","","0.1398","0.1452","","","","","","1.187","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228746","8.281","0.0003","13.3678","0.0009","13.6178","0.0007","86.266","0.01","75.841","0.008","82.304","0.008","1447.69","0.15","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido(<i>N</i>,<i>N</i>'-diisopropylpiperidine-1-carboximidamidato- κ^2^<i>N</i>,<i>N</i>')titanium(IV)","","- C24 H48 Cl2 N6 Ti -","- C24 H48 Cl2 N6 Ti -","- C48 H96 Cl4 N12 Ti2 -","2","1","HG2762","Wang, Mei; Yao, Ying-Ming; Zhang, Yong; Zhang, Zhen-Qin; Shi, Li-Ying","Dichlorido(<i>N</i>,<i>N</i>'-diisopropylpiperidine-1-carboximidamidato-κ^2^<i>N</i>,<i>N</i>')titanium(IV)","Acta Crystallographica Section E","2011","67","1","m125","","10.1107/S1600536810053262","","","0.7107","MoKα","","0.0486","0.0414","","","0.0932","0.0966","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228747","13.444","0.003","9.3299","0.0019","18.499","0.004","90","","92.16","0.002","90","","2318.7","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Dichlorobenzaldehyde 4-methylthiosemicarbazone","","- C9 H9 Cl2 N3 S -","- C9 H9 Cl2 N3 S -","- C72 H72 Cl16 N24 S8 -","8","1","HG2763","Li, Rongchun","2,4-Dichlorobenzaldehyde 4-methylthiosemicarbazone","Acta Crystallographica Section E","2011","67","1","o20","","10.1107/S1600536810049743","","","0.71073","MoKα","","0.0512","0.0369","","","0.086","0.0921","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228748","4.8444","0.0003","12.7237","0.001","17.4388","0.0013","90","","90","","90","","1074.9","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2-Bromo-2-deoxy-β-D-xylofuranosyl)uracil","","- C9 H11 Br N2 O5 -","- C9 H11 Br N2 O5 -","- C36 H44 Br4 N8 O20 -","4","1","HG2764","Zhou, Zhong-Gao; Fu, Shun-Guo; Lai, Wu-Leng; Wang, Chun-Feng","1-(2-Bromo-2-deoxy-β-<small>D</small>-xylofuranosyl)uracil","Acta Crystallographica Section E","2011","67","1","o111","","10.1107/S1600536810051081","","","0.71073","MoKα","","0.0234","0.021","","","0.0476","0.048","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228749","7.0927","0.0005","23.3998","0.0015","24.9335","0.0016","90","","90","","90","","4138.2","0.5","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2([neocuproineH+][hydrogen-D-tartrate-])nonahydrate","Bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) hydrogen (<i>S</i>,<i>S</i>)-tartrate nonahydrate","","- C36 H54 N4 O21 -","- C36 H54 N4 O21 -","- C144 H216 N16 O84 -","4","1","HG2765","Derikvand, Zohreh; Olmstead, Marilyn M.","Bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) hydrogen (<i>S</i>,<i>S</i>)-tartrate nonahydrate","Acta Crystallographica Section E","2011","67","1","o87","o88","10.1107/S160053681005110X","","","0.71073","MoKα","","0.1026","0.0896","","","0.1685","0.1731","","","","","","1.252","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228750","10.5492","0.0005","17.7053","0.0007","19.1985","0.0009","90","","90","","90","","3585.8","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diiodidobis(triphenylphosphine oxide)cadmium","","- C36 H30 Cd I2 O2 P2 -","- C36 H30 Cd I2 O2 P2 -","- C144 H120 Cd4 I8 O8 P8 -","4","1","HG2772","Shanthakumari, R.; Hema, R.; Ramamurthy, K.; Stoeckli-Evans, Helen","Diiodidobis(triphenylphosphine oxide)cadmium","Acta Crystallographica Section E","2011","67","1","m114","","10.1107/S160053681005302X","","","0.71073","MoKα","","0.039","0.0305","","","0.0488","0.0504","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228751","5.3496","0.0003","11.0788","0.0006","15.0049","0.0008","98.745","0.005","98.288","0.004","95.032","0.005","864.3","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","<i>trans</i>-Bis(dimethyl sulfoxide-κ<i>O</i>)bis(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)cadmium(II) dipicrate dihydrate","<i>trans</i>-Bis(dimethyl sulfoxide-κ<i>O</i>)bis(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)cadmium bis(2,4,6-trinitrophenolate) dihydrate","","- C18 H30 Cd N12 O18 S4 -","- C18 H30 Cd N12 O18 S4 -","- C18 H30 Cd N12 O18 S4 -","1","0.5","HG2776","Shanthakumari, R.; Hema, R.; Ramamurthy, K.; Stoeckli-Evans, Helen","<i>trans</i>-Bis(dimethyl sulfoxide-κ<i>O</i>)bis(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)cadmium dipicrate dihydrate","Acta Crystallographica Section E","2011","67","1","m127","","10.1107/S1600536810053602","","","0.71073","MoKα","","0.0256","0.0231","","","0.0579","0.0589","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228752","11.8271","0.0005","13.2122","0.0005","10.256","0.0004","90","","90","","90","","1602.62","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[aqua(pyridine-4-carboxylato-κ<i>N</i>)silver(I)]- μ-hexamethylenetetraamine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","","- C12 H22 Ag N5 O5 -","- C12 H22 Ag N5 O5 -","- C48 H88 Ag4 N20 O20 -","4","1","HY2384","Sun, Dajun; Han, Liying; Zang, Hu","<i>catena</i>-Poly[[[aqua(pyridine-4-carboxylato-κ<i>N</i>)silver(I)]-μ-hexamethylenetetraamine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","Acta Crystallographica Section E","2011","67","1","m47","","10.1107/S1600536810050452","","","0.71073","MoKα","","0.0165","0.0162","","","0.0411","0.0412","","","","","","1.083","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228753","10.2799","0.0006","11.1595","0.0007","11.6821","0.0007","88.4456","0.0011","85.329","0.0011","77.1162","0.0011","1302.02","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dibromido(2,2'-dimethyl-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')mercury(II)","","- C8 H8 Br2 Hg N2 S2 -","- C8 H8 Br2 Hg N2 S2 -","- C32 H32 Br8 Hg4 N8 S8 -","4","2","HY2386","Abedi, Anita","Dibromido(2,2'-dimethyl-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')mercury(II)","Acta Crystallographica Section E","2011","67","1","m76","m77","10.1107/S1600536810051494","","","0.71073","MoKα","","0.0352","0.0264","","","0.0594","0.0623","","","","","","0.936","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228754","7.3439","0.0015","8.7786","0.0018","9.5863","0.0019","94.04","0.03","90.94","0.03","111.75","0.03","572","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquamagnesium dibromide 5-(pyridinium-3-yl)tetrazol-1-ide","","- C12 H22 Br2 Mg N10 O6 -","- C12 H22 Br2 Mg N10 O6 -","- C12 H22 Br2 Mg N10 O6 -","1","0.5","HY2389","Dai, Jing; Chen, Xin-Yuan","Hexaaquamagnesium dibromide 5-(pyridinium-3-yl)tetrazol-1-ide","Acta Crystallographica Section E","2011","67","1","m113","","10.1107/S1600536810052992","","","0.71073","MoKα","","0.0521","0.0402","","","0.0921","0.0969","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228755","10.4284","0.0006","11.1844","0.0007","11.9656","0.0008","96.508","0.003","112.091","0.003","96.366","0.003","1266.84","0.14","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Aqua(4-nitrophthalato)bis[2-(1<i>H</i>-pyrazol-3-yl)pyridine]zinc(II) hemihydrate","","- C24 H20 N7 O7.5 Zn -","- C24 H20 N7 O7.5 Zn -","- C48 H40 N14 O15 Zn2 -","2","1","IM2226","Ni, Lei; Zhao, Ji-Li; Wei, Hong","Aqua(4-nitrophthalato)bis[2-(1<i>H</i>-pyrazol-3-yl)pyridine]zinc(II) hemihydrate","Acta Crystallographica Section E","2011","67","1","m105","","10.1107/S1600536810051949","","","0.71073","MoKα","","0.0394","0.0347","","","0.0993","0.104","","","","","","1","","","","has coordinates,has Fobs","203559","2020-10-21","18:00:00",""
"2228756","6.5482","0.0013","12.609","0.003","16.606","0.003","90","","90","","90","","1371.1","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(5-Methyl-3-phenyl-1<i>H</i>-pyrazol-1-yl)propanamide monohydrate","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","IM2245","Chen, Shu-Jiao; Zhang, Jian-Feng","3-(5-Methyl-3-phenyl-1<i>H</i>-pyrazol-1-yl)propanamide monohydrate","Acta Crystallographica Section E","2011","67","1","o47","","10.1107/S160053681005035X","","","0.71073","MoKα","","0.0719","0.0495","","","0.1203","0.1402","","","","","","1.078","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228757","7.941","0.002","19.7","0.004","8.622","0.002","90","","101.77","0.003","90","","1320.4","0.5","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl indolizine-1,3-dicarboxylate","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","IM2246","Gu, Wei-Jin; Zhuang, Jin; Jiang, Yu-Liang; Wang, Bing-Xiang","Diethyl indolizine-1,3-dicarboxylate","Acta Crystallographica Section E","2011","67","1","o123","","10.1107/S1600536810050919","","","0.71073","MoKα","","0.0843","0.05","","","0.1055","0.1156","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228758","6.1746","0.0003","10.7883","0.0004","19.645","0.0008","87.719","0.003","81.557","0.004","76.047","0.004","1256.23","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Bromophenyl)-3-butanoylthiourea","","- C11 H13 Br N2 O S -","- C11 H13 Br N2 O S -","- C44 H52 Br4 N8 O4 S4 -","4","2","IM2247","Saeed, Sohail; Rashid, Naghmana; Jasinski, Jerry P.; Butcher, Ray J.; Shoaib, Muhammad","1-(4-Bromophenyl)-3-butanoylthiourea","Acta Crystallographica Section E","2011","67","1","o46","","10.1107/S1600536810050373","","","0.71073","MoKα","","0.0784","0.0433","","","0.0886","0.0952","","","","","","0.915","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228759","7.156","0.0001","10.867","0.0002","11.141","0.0002","61.559","0.0009","88.682","0.001","71.702","0.001","714.93","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Bis(1-phenylbiguanidium) hexanedioate tetrahydrate","","- C22 H40 N10 O8 -","- C22 H40 N10 O8 -","- C22 H40 N10 O8 -","1","0.5","IM2248","Matulková, Irena; Císařová, Ivana; Němec, Ivan","Bis(2-phenylbiguanidium) adipate tetrahydrate","Acta Crystallographica Section E","2011","67","1","o118","o119","10.1107/S1600536810049925","","","0.71073","MoKα","","0.0391","0.0353","","","","0.0927","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228760","6.798","0.0002","8.7618","0.0003","10.6797","0.0003","90","","90","","90","","636.11","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Hydroxypyridinium-3-sulfonate","","- C5 H5 N O4 S -","- C5 H5 N O4 S -","- C20 H20 N4 O16 S4 -","4","1","IM2249","Zhu, Zhi-Biao; Gao, Shan; Ng, Seik Weng","4-Hydroxypyridinium-3-sulfonate","Acta Crystallographica Section E","2011","67","1","o11","","10.1107/S1600536810049603","","","0.71073","MoKα","","0.0248","0.0237","","","0.0649","0.0679","","","","","","1.087","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228761","11.9569","0.0004","12.8636","0.0004","13.1187","0.0004","104.24","0.05","113.96","0.05","100.46","0.05","1694.6","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis(μ-3,5- dinitrobenzoato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[(3,5-dinitrobenzoato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>)dysprosium(III)]","","- C66 H34 Dy2 N16 O36 -","- C66 H34 Dy2 N16 O36 -","- C66 H34 Dy2 N16 O36 -","1","0.5","IM2251","Dong, Chun-Hua; Zhang, Da-Hai; Ren, Ning; Xi, Gai-Qing; Hao, Juan-Juan","Bis(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis(μ-3,5-dinitrobenzoato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[(3,5-dinitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)dysprosium(III)]","Acta Crystallographica Section E","2011","67","1","m102","","10.1107/S1600536810052001","","","0.71073","MoKα","","0.0164","0.0158","","","0.041","0.0412","","","","","","1.025","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228762","6.969","0.0014","12.716","0.003","17.379","0.004","90","","90","","90","","1540.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile","","- C20 H14 F N3 -","- C20 H14 F1.01 N3 -","- C80 H56 F4.04 N12 -","4","1","IM2252","Wang, Wei; Tang, Shi-gui; Guo, Cheng; Luan, Chang-jun; Du, Ren-jun","2-Amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile","Acta Crystallographica Section E","2011","67","1","o96","","10.1107/S1600536810050695","","","0.71073","MoKα","","0.0687","0.0516","","","0.1478","0.1609","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228763","10.9163","0.001","12.7235","0.0012","15.7104","0.0014","102.609","0.001","107.672","0.001","108.567","0.001","1847.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-(Pyridin-2-ylcarbonimidodithioato- κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)palladium(II)","","- C42 H34 N2 P2 Pd S2 -","- C42 H34 N2 P2 Pd S2 -","- C84 H68 N4 P4 Pd2 S4 -","2","1","IM2253","Bon, Vladimir V.; Orysyk, Svitlana I.; Pekhnyo, Vasily I.","<i>cis</i>-(Pyridin-2-ylcarbonimidodithioato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2011","67","1","m46","","10.1107/S1600536810050518","","","0.71073","MoKα","","0.0276","0.0225","","","0.0517","0.055","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228764","12.179","0.002","18.624","0.003","6.0187","0.001","90","","90","","90","","1365.2","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Methoxy-4-[(4-methylpiperazin-1-yl)iminomethyl]phenol","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","IM2254","Zhou, Li-Na; Yan, Long; Zhou, Hui-Liang; Yang, Qing-Feng; Hu, Qi-Lin","2-Methoxy-4-[(4-methylpiperazin-1-yl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","1","o100","","10.1107/S1600536810051135","","","0.71073","MoKα","","0.0635","0.0399","","","0.069","0.0769","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228765","7.5391","0.0009","14.1845","0.0017","10.3084","0.0012","90","","100.468","0.001","90","","1084","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~3~-hydroxido-μ-(pyridine-2,4,6-tricarboxylato)-dilead(II)]","","- C8 H3 N O7 Pb2 -","- C8 H3 N O7 Pb2 -","- C32 H12 N4 O28 Pb8 -","4","1","IS2628","Zhou, Ying-Hua; Chen, Jian; Cheng, Yong; Zhang, Nian-Rong","Poly[μ~3~-hydroxido-μ-(pyridine-2,4,6-tricarboxylato)-dilead(II)]","Acta Crystallographica Section E","2011","67","1","m15","m16","10.1107/S1600536810049275","","","0.71073","MoKα","","0.0295","0.0278","","","0.0676","0.0685","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228766","8.7818","0.0001","10.0726","0.0002","9.9703","0.0001","90","","107.081","0.001","90","","843.03","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitro-1<i>H</i>-1,2,4-triazole","","- C2 H2 N4 O2 -","- C2 H2 N4 O2 -","- C16 H16 N32 O16 -","8","2","IS2634","Hemamalini, Madhukar; Fun, Hoong-Kun","3-Nitro-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2011","67","1","o15","","10.1107/S1600536810049287","","","0.71073","MoKα","","0.0383","0.0346","","","0.0889","0.0916","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228767","8.6159","0.0008","10.067","0.0009","10.1392","0.0009","90","","108.686","0.002","90","","833.08","0.13","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-benzyl-acid","(3<i>S</i>)-2-Benzyl-3-carboxy-1,2,3,4-tetrahydroisoquinolinium chloride monohydrate","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C34 H40 Cl2 N2 O6 -","2","1","IS2635","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(3<i>S</i>)-2-Benzyl-3-carboxy-1,2,3,4-tetrahydroisoquinolinium chloride monohydrate","Acta Crystallographica Section E","2011","67","1","o228","","10.1107/S1600536810053122","","","0.71073","MoKα","","0.0491","0.0364","","","0.0764","0.0819","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228768","9.927","0.0004","9.9813","0.0004","11.5293","0.0004","75.703","0.002","76.965","0.002","88.395","0.002","1078","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate","","- C45 H48 Br2 N2 O9 S2 -","- C45 H48 Br2 N2 O9 S2 -","- C45 H48 Br2 N2 O9 S2 -","1","0.5","IS2636","Fun, Hoong Kun; Chantrapromma, Suchada; Jansrisewangwong, Patcharaporn","(<i>E</i>)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate","Acta Crystallographica Section E","2011","67","1","o105","o106","10.1107/S1600536810050944","","","0.71073","MoKα","","0.0408","0.0325","","","0.0809","0.0856","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228769","9.6117","0.0006","13.8507","0.0008","12.133","0.0007","90","","106.738","0.001","90","","1546.82","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-\ κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}manganese(II)","","- C13 H19 Cl2 Mn N3 O -","- C13 H19 Cl2 Mn N3 O -","- C52 H76 Cl8 Mn4 N12 O4 -","4","1","IS2637","Ikmal Hisham, Nurul Azimah; Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}manganese(II)","Acta Crystallographica Section E","2011","67","1","m41","","10.1107/S1600536810050221","","","0.71073","MoKα","","0.0206","0.0195","","","0.052","0.0526","","","","","","1.108","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228770","8.6492","0.0009","12.2458","0.0013","15.6471","0.0016","90","","93.271","0.008","90","","1654.6","0.3","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido(η^6^-<i>p</i>-cymene)(4-fluoroaniline-κ<i>N</i>)ruthenium(II)","","- C16 H20 Cl2 F N Ru -","- C16 H20 Cl2 F N Ru -","- C64 H80 Cl8 F4 N4 Ru4 -","4","1","IS2638","Sykora, Richard E.; Harris, Andrew G.; Clements, Jason W.; Hoffman, Norris W.","Dichlorido(η^6^-<i>p</i>-cymene)(4-fluoroaniline-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section E","2011","67","1","m99","m100","10.1107/S1600536810051962","","","0.71073","MoKα","","0.0585","0.0335","","","0.0821","0.0904","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228771","10.6912","0.0001","14.035","0.0002","12.253","0.0002","90","","92.203","0.001","90","","1837.22","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-Morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-\ κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)copper(II)","","- C15 H19 Cu N5 O S2 -","- C15 H19 Cu N5 O S2 -","- C60 H76 Cu4 N20 O4 S8 -","4","1","IS2639","Suleiman Gwaram, Nura; Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah","{2-Morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2011","67","1","m58","","10.1107/S1600536810050889","","","0.71073","MoKα","","0.0271","0.0234","","","0.0592","0.0607","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228772","14.7765","0.0004","8.6916","0.0003","9.7339","0.0003","90","","96.477","0.001","90","","1242.16","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[(4-Methoxybenzyl)sulfanyl]-2-methyl-1,3,4-thiadiazole","","- C11 H12 N2 O S2 -","- C11 H12 N2 O S2 -","- C44 H48 N8 O4 S8 -","4","1","IS2640","Fun, Hoong-Kun; Chantrapromma, Suchada; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","5-[(4-Methoxybenzyl)sulfanyl]-2-methyl-1,3,4-thiadiazole","Acta Crystallographica Section E","2011","67","1","o163","","10.1107/S1600536810051858","","","0.71073","MoKα","","0.1005","0.0517","","","0.1007","0.1176","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228773","7.3685","0.0008","12.7437","0.0013","14.4586","0.0015","90","","91.979","0.007","90","","1356.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{(<i>E</i>)-[(4-Formylphenyl)iminiumyl]methyl}naphthalen-2-olate","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","IS2641","Farag, Abeer Mohamed; Teoh, Siang Guan; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun","3-{(<i>E</i>)-[(4-Formylphenyl)iminiumyl]methyl}naphthalen-2-olate","Acta Crystallographica Section E","2011","67","1","o143","","10.1107/S1600536810051822","","","0.71073","MoKα","","0.1172","0.0641","","","0.1453","0.171","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228774","7.2554","0.0002","8.088","0.0002","8.545","0.0002","112.988","0.001","90.234","0.001","93.873","0.001","460.31","0.02","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","6-Methoxy-4-methyl-2<i>H</i>-chromen-2-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C22 H20 O6 -","2","1","IS2642","Fun, Hoong-Kun; Goh, Jia Hao; Wu, Dongdong; Zhang, Yan","6-Methoxy-4-methyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","1","o136","","10.1107/S1600536810051652","","","0.71073","MoKα","","0.1056","0.0659","","","0.1948","0.2178","","","","","","1.092","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228775","13.821","0.0014","4.572","0.0005","19.7929","0.0019","90","","90","","90","","1250.7","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Methyl-5-[(3-methyl-4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole","","- C11 H11 N3 O2 S2 -","- C11 H11 N3 O2 S2 -","- C44 H44 N12 O8 S8 -","4","1","IS2643","Fun, Hoong-Kun; Chantrapromma, Suchada; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","2-Methyl-5-[(3-methyl-4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E","2011","67","1","o205","o206","10.1107/S1600536810052505","","","0.71073","MoKα","","0.0401","0.0305","","","0.0755","0.0912","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228776","9.1777","0.0004","5.2179","0.0002","15.1621","0.0007","90","","103.518","0.002","90","","705.97","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(4-Methoxyphenyl)-4-methylbenzenesulfonamide","","- C14 H15 N O3 S -","- C14 H15 N O3 S -","- C28 H30 N2 O6 S2 -","2","1","IS2644","Akkurt, Mehmet; Mariam, Irfana; Naseer, Ifrah; Khan, Islam Ullah; Sharif, Shahzad","<i>N</i>-(4-Methoxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","1","o186","","10.1107/S1600536810052633","","","0.71073","MoKα","","0.067","0.043","","","0.0947","0.1058","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228777","13.0733","0.0002","12.4206","0.0002","17.463","0.0003","90","","96.795","0.007","90","","2815.69","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-1,2-Bis(diphenylphosphanyl)benzene- κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)]","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C120 H96 Au8 Cl8 P8 -","4","1","IS2645","Yoshinari, Nobuto; Kitani, Naoki; Tsukuda, Toshiaki; Konno, Takumi","[μ-1,2-Bis(diphenylphosphanyl)benzene-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)]","Acta Crystallographica Section E","2011","67","1","m121","","10.1107/S1600536810052803","","","0.71075","MoKα","","0.0286","0.0228","","","0.0399","0.0409","","","","","","1.164","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228778","7.1881","0.0001","21.9708","0.0003","12.1438","0.0002","90","","91.412","0.001","90","","1917.27","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C15 H21 N5 Ni O2 S2 -","- C15 H21 N5 Ni O2 S2 -","- C60 H84 N20 Ni4 O8 S8 -","4","1","IS2646","Suleiman Gwaram, Nura; Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah","Aqua{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2011","67","1","m108","","10.1107/S1600536810052578","","","0.71073","MoKα","","0.0288","0.0254","","","0.0568","0.0582","","","","","","1.093","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228779","11.812","0.003","7.4687","0.0016","33.233","0.007","90","","90","","90","","2931.8","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","(3<i>E</i>,5<i>E</i>)-3,5-bis(4-hydroxybenzylidene)-tetrahydropyran-4-one","(3<i>E</i>,5<i>E</i>)-3,5-Bis(4-hydroxybenzylidene)oxan-4-one","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","JH2219","Du, Zhi-Yun; Huang, Hua-Rong; Lu, Yu-Jun; Zhang, Kun; Fang, Yan-Xiong","(3<i>E</i>,5<i>E</i>)-3,5-Bis(4-hydroxybenzylidene)oxan-4-one","Acta Crystallographica Section E","2011","67","1","o116","","10.1107/S1600536810051457","","","0.71073","MoKα","","0.09","0.0453","","","0.105","0.124","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228780","15.117","0.002","13.907","0.002","14.541","0.0011","90","","107.36","0.008","90","","2917.7","0.6","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methoxybenzamide","","- C16 H11 F3 N2 O2 -","- C16 H11 F3 N2 O2 -","- C128 H88 F24 N16 O16 -","8","1","JH2220","Nanjunda Swamy, S.; Manjunath, H. R.; Priya, B. S.; Basappa; Sridhar, M. A.; Rangappa, K. S","<i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methoxybenzamide","Acta Crystallographica Section E","2011","67","1","o198","","10.1107/S1600536810050269","","","0.71073","MoKα","","0.0712","0.0597","","","0.19","0.2062","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228781","18.1237","0.001","11.3663","0.0006","15.0119","0.0008","90","","95.439","0.002","90","","3078.5","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(μ~2~-4,4'-bipyridine)bis(3-nitrobenzoato)nickel(II)]","","- C34 H24 N6 Ni O8 -","- C34 H24 N6 Ni O8 -","- C136 H96 N24 Ni4 O32 -","4","0.5","JH2232","Hsu, Shih-Chen; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her","Poly[bis(μ~2~-4,4'-bipyridine)bis(3-nitrobenzoato)nickel(II)]","Acta Crystallographica Section E","2011","67","1","m65","","10.1107/S1600536810050117","","","0.71073","MoKα","","0.0398","0.0353","","","0.0964","0.1005","","","","","","1.025","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228782","7.578","0.005","7.904","0.006","10.002","0.007","88.875","0.011","86.293","0.01","84.176","0.011","594.7","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-3-Chloromethylidene-5,6-dimethoxy-2-methyl-2,3- dihydro-1,2-benzothiazole 1,1-dioxide","","- C11 H12 Cl N O4 S -","- C11 H12 Cl N O4 S -","- C22 H24 Cl2 N2 O8 S2 -","2","1","JH2234","Bassin, Jatinder P.; Shah, Virender P.; Martin, Lee; Clegg, William; Harrington, Ross W.","(<i>Z</i>)-3-Chloromethylidene-5,6-dimethoxy-2-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide","Acta Crystallographica Section E","2011","67","1","o12","","10.1107/S1600536810049561","","","0.6937","synchrotron","","0.0895","0.0652","","","0.1599","0.1766","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228783","10.1329","0.0002","8.1141","0.0001","19.0591","0.0002","90","","92.939","0.001","90","","1564.97","0.04","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis{[2-(benzyliminomethyl)pyridine- κ^2^<i>N</i>,<i>N</i>']chloridomercury(II)} dichloridomercury(II)","","- C26 H24 Cl6 Hg3 N4 -","- C26 H24 Cl6 Hg3 N4 -","- C52 H48 Cl12 Hg6 N8 -","2","0.5","JH2236","Kim, Young-Inn; Song, Young-Kwang; Yun, Seong-Jae; Kim, In-Chan; Kang, Sung Kwon","Di-μ-chlorido-bis{[2-(benzyliminomethyl)pyridine-κ^2^<i>N</i>,<i>N</i>']chloridomercury(II)} dichloridomercury(II)","Acta Crystallographica Section E","2011","67","1","m52","m53","10.1107/S1600536810050725","","","0.71073","MoKα","","","0.0246","","","","0.0554","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228784","8.9224","0.0003","11.9605","0.0005","9.6827","0.0004","90","","110.782","0.001","90","","966.07","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,1'-Dibutyl-isoindigo","(<i>E</i>)-1,1'-Dibutyl-3,3'-biindolinylidene-2,2'-dione","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","JH2237","Yuan, Mao-Sen; Fang, Qi","(<i>E</i>)-1,1'-Dibutyl-3,3'-biindolinylidene-2,2'-dione","Acta Crystallographica Section E","2011","67","1","o52","","10.1107/S160053681005066X","","","0.71073","MoKα","","0.0563","0.0436","","","0.1104","0.1205","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228785","11.288","0.002","15.965","0.003","14.449","0.004","90","","101.296","0.012","90","","2553.5","1","273","2","273","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Piperazine-1,4-diium bis(hydrogen 2-propyl-1<i>H</i>-imidazole-4,5-dicarboxylate) monohydrate","","- C20 H32 N6 O9 -","- C20 H32 N6 O9 -","- C80 H128 N24 O36 -","4","0.5","JH2238","Gao, Zhu-Qing; Gu, Jin-Zhong","Piperazine-1,4-diium bis(hydrogen 2-propyl-1<i>H</i>-imidazole-4,5-dicarboxylate) monohydrate","Acta Crystallographica Section E","2011","67","1","o31","","10.1107/S1600536810049822","","","0.71073","MoKα","","0.0741","0.0499","","","0.1202","0.1358","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228786","18.3806","0.0005","8.1155","0.0002","30.4715","0.0005","90","","90","","90","","4545.37","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3- methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate","","- C22.5 H24.5 N5.5 O4.5 S -","- C22.5 H24.5 N5.5 O4.5 S -","- C180 H196 N44 O36 S8 -","8","1","JH2242","Ahmad, Matloob; Siddiqui, Hamid Latif; Khattak, Manzoor Iqbal; Ahmad, Saeed; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3-methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate","Acta Crystallographica Section E","2011","67","1","o216","o217","10.1107/S1600536810052177","","","0.71073","MoKα","","0.0975","0.0564","","","0.1072","0.1247","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228787","11.4881","0.0002","12.7518","0.0003","15.569","0.0004","71.2778","0.0011","78.6837","0.0013","70.4911","0.0012","2025.92","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>'-(2-Chlorobenzylidene)-2-(3,4-dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)acetohydrazide","","- C20 H18 Cl N5 O3 S -","- C20 H18 Cl N5 O3 S -","- C80 H72 Cl4 N20 O12 S4 -","4","2","JH2243","Ahmad, Matloob; Siddiqui, Hamid Latif; Khattak, Manzoor Iqbal; Ahmad, Saeed; Parvez, Masood","<i>N</i>'-(2-Chlorobenzylidene)-2-(3,4-dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)acetohydrazide","Acta Crystallographica Section E","2011","67","1","o218","o219","10.1107/S160053681005227X","","","0.71073","MoKα","","0.0506","0.036","","","0.0949","0.106","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228788","17.882","0.005","53.15","0.014","10.233","0.003","90","","90","","90","","9726","5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Dibenzyl sulfoxide","","- C14 H14 O S -","- C14 H14 O S -","- C448 H448 O32 S32 -","32","2","JH2245","Zeng, Yun-Xiu; Xu, Zhi-Guang; Zhan, Qing-Guang; Liu, Hai-Yang","Dibenzyl sulfoxide","Acta Crystallographica Section E","2011","67","1","o177","","10.1107/S1600536810052165","","","0.71073","MoKα","","0.1125","0.0569","","","0.1473","0.1825","","","","","","0.972","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228789","13.468","0.003","22.606","0.005","15.831","0.003","90","","95.84","0.03","90","","4794.9","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{1,1'-[Butane-1,4-diylbis(nitrilomethylidyne)]di-2-naphtholato}copper(II) ethanol monosolvate","Bis(2-hydroxynaphtylidene)-1,4-butanediamine copper (II) ethanol solvate","","- C28 H28 Cu N2 O3 -","- C28 H28 Cu N2 O3 -","- C224 H224 Cu8 N16 O24 -","8","1","JH2247","Kargar, Hadi; Kia, Reza","{1,1'-[Butane-1,4-diylbis(nitrilomethylidyne)]di-2-naphtholato}copper(II) ethanol monosolvate","Acta Crystallographica Section E","2011","67","1","m128","","10.1107/S1600536810053183","","","0.71073","MoKα","","0.0984","0.0572","","","0.1134","0.126","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228790","9.82","0.005","15.002","0.005","17.406","0.005","74.853","0.005","86.898","0.005","87.705","0.005","2470.6","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(tetrabutylammonium) bis(3,4,5-trioxocyclopent-1-ene-1,2-dithiolato- κ^2^<i>S</i>,<i>S</i>')cadmate(II) 0.25-hydrate","","- C42 H72.5 Cd N2 O6.25 S4 -","- C42 H72.5 Cd N2 O6.25 S4 -","- C84 H145 Cd2 N4 O12.5 S8 -","2","1","JJ2066","Chen, Hong-Yu; Xia, Guang-Ming; Zhang, Zhen-Wei; Li, Ping","Bis(tetrabutylammonium) bis(3,4,5-trioxocyclopent-1-ene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cadmate(II) 0.25-hydrate","Acta Crystallographica Section E","2011","67","1","m12","m13","10.1107/S1600536810049913","","","0.71069","MoKα","","0.0832","0.05","","","0.1281","0.1436","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2228791","7.8529","0.0006","8.7706","0.0006","9.199","0.0006","115.611","0.002","113.348","0.002","91.041","0.002","510.62","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","Bis(1,3-dimethyl-1,3-diazinan-2-one)dinitratodioxidouranium(VI)","","- C12 H24 N6 O10 U -","- C12 H24 N6 O10 U -","- C12 H24 N6 O10 U -","1","0.5","KJ2159","Suzuki, Tomoya; Kawasaki, Takeshi; Ikeda, Yasuhisa","Bis(1,3-dimethyl-1,3-diazinan-2-one)dinitratodioxidouranium(VI)","Acta Crystallographica Section E","2011","67","1","m18","","10.1107/S1600536810049883","","","0.71075","MoKα","","0.0177","0.0173","","","0.0444","0.0445","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228792","11.2937","0.0002","26.7878","0.0003","14.4056","0.0004","90","","128.062","0.002","90","","3431.38","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^<i>,O</i>^1'^)(nitrato- κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cerium(III)","","- C38 H26 Ce N5 O11 -","- C38 H26 Ce N5 O11 -","- C152 H104 Ce4 N20 O44 -","4","1","KJ2166","Gu, Xiaojian; Wang, Chiya; Hong, Bo; Jin, Hongxiao","Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^<i>,O</i>^1'^)(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cerium(III)","Acta Crystallographica Section E","2011","67","1","m6","m7","10.1107/S1600536810049755","","","1.54184","CuKα","","0.0448","0.0429","","","0.1057","0.1079","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228793","8.821","0.0007","13.1802","0.001","13.4476","0.0011","105.549","0.002","99.49","0.002","106.623","0.002","1392.99","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-(Piperidin-1-yl)-4<i>H</i>-benzo[<i>b</i>]tetrazolo[1,5- <i>d</i>][1,4]diazepin-5(6<i>H</i>)-one","","- C14 H16 N6 O -","- C14 H16 N6 O -","- C56 H64 N24 O4 -","4","2","KJ2167","Nichol, Gary S.; Xu, Zhigang; Kaiser, Christine E.; Hulme, Christopher","4-(Piperidin-1-yl)-4<i>H</i>-benzo[<i>b</i>]tetrazolo[1,5-<i>d</i>][1,4]diazepin-5(6<i>H</i>)-one","Acta Crystallographica Section E","2011","67","1","o23","o24","10.1107/S1600536810049950","","","0.71073","MoKα","","0.0571","0.043","","","0.1134","0.1232","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228794","16.978","0.003","11.405","0.002","11.164","0.002","90","","108.04","0.03","90","","2055.5","0.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Bis(2-{2-[2-(benzylcarbamoyl)phenoxy]acetamido}ethyl)ammonium nitrate ethanol disolvate","","- C40 H52 N6 O11 -","- C40 H52 N6 O11 -","- C80 H104 N12 O22 -","2","0.5","KP2291","Liu, Jiaji; Tang, Xiaoliang; Lu, Zhengdan; Zhang, Guolin; Liu, Weisheng","Bis(2-{2-[2-(benzylcarbamoyl)phenoxy]acetamido}ethyl)ammonium nitrate ethanol disolvate","Acta Crystallographica Section E","2011","67","1","o203","o204","10.1107/S1600536810052670","","","0.71073","MoKα","","0.0922","0.063","","","0.1668","0.1904","","","","","","1.031","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228795","9.3091","0.0004","10.7937","0.0004","15.1219","0.0008","77.231","0.004","81.966","0.004","74.135","0.004","1420.31","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Chlorido(η^5^-cyclopentadienyl)[(4a,4b,8a,9,9a-η)- fluorenyl](fluorenyl-κ<i>C</i>^9^)zirconium(IV) toluene solvate","","- C38 H31 Cl Zr -","- C38 H31 Cl Zr -","- C76 H62 Cl2 Zr2 -","2","1","KP2294","Łapczuk-Krygier, Agnieszka; Ponikiewski, Łukasz; Pikies, Jerzy","Chlorido(η^5^-cyclopentadienyl)[(4a,4b,8a,9,9a-η)-fluorenyl](fluorenyl-κ<i>C</i>^9^)zirconium(IV) toluene solvate","Acta Crystallographica Section E","2011","67","1","m54","","10.1107/S1600536810050816","","","0.71073","MoKα","","0.0394","0.0309","","","","0.0757","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228796","8.9552","0.0004","13.2737","0.0006","15.9593","0.0006","90","","104.885","0.001","90","","1833.4","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methoxyphenyl)(phenyl)phosphine selenide","","- C20 H19 O2 P Se -","- C20 H19 O2 P Se -","- C80 H76 O8 P4 Se4 -","4","1","KP2295","Muller, Alfred","Bis(2-methoxyphenyl)(phenyl)phosphine selenide","Acta Crystallographica Section E","2011","67","1","o89","","10.1107/S1600536810051317","","","0.71073","MoKα","","0.0784","0.0386","","","","0.0961","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228797","41.078","0.014","5.94","0.002","18.683","0.006","90","","113.581","0.013","90","","4178","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-Diethyl 6-hydroxy-4-[(2-hydroxyethyl)amino]-6-methyl-2-phenylcyclohex-3-ene-1,3- dicarboxylate","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C168 H232 N8 O48 -","8","1","KP2299","Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.","<i>rac</i>-Diethyl 6-hydroxy-4-[(2-hydroxyethyl)amino]-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylate","Acta Crystallographica Section E","2011","67","1","o187","","10.1107/S1600536810052669","","","0.71073","MoKα","","0.0802","0.0524","","","0.1252","0.1429","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228798","5.883","0.0014","9.644","0.002","11.428","0.003","65.69","0.002","89.37","0.003","81.018","0.003","582.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-Isopropyl 3-(3,4-dihydroxyphenyl)acrylate","","- C12 H14 O4 -","- C12 H14 O4 -","- C24 H28 O8 -","2","1","LH5158","Shen, Xu-Ji; Liu, Shi-Yu; Jia, Pu; Wang, Shi-Xiang; Zheng, Xiao-Hui","(<i>E</i>)-Isopropyl 3-(3,4-dihydroxyphenyl)acrylate","Acta Crystallographica Section E","2011","67","1","o17","","10.1107/S1600536810044272","","","0.71073","MoKα","","0.0633","0.0453","","","0.1301","0.1507","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228799","13.0478","0.0004","10.5547","0.0003","16.5552","0.0006","90","","97.0347","0.0011","90","","2262.75","0.13","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Azido-3-<i>O</i>-benzyl-6-deoxy-<i>N</i>,<i>N</i>-diethyl-1,2-<i>O</i>- isopropylidene-<i>D</i>-<i>glycero</i>-α-<i>D</i>-<i>gluco</i>- heptofuranuronamide","","- C21 H30 N4 O6 -","- C21 H30 N4 O6 -","- C84 H120 N16 O24 -","4","2","LH5169","Jenkinson, S. F.; Oña, N.; Romero, A.; Fleet, G. W. J.; Thompson, A. L.; Pino-González, M. S.","6-Azido-3-<i>O</i>-benzyl-6-deoxy-<i>N</i>,<i>N</i>-diethyl-1,2-<i>O</i>-isopropylidene-<small>D</small>-<i>glycero</i>-α-<small>D</small>-<i>gluco</i>-heptofuranuronamide","Acta Crystallographica Section E","2011","67","1","o38","o39","10.1107/S1600536810048944","","","0.71073","MoKα","","0.0719","0.053","","0.1216","0.1111","0.1216","","","","","","0.9618","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228800","19.618","0.004","9.576","0.0019","17.517","0.004","90","","90","","90","","3290.8","1.2","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","Poly[[bis[μ-1,2-bis(4-pyridyl)ethene]bis(trichloroacetato)cadmium(II)] monohydrate]","","- C28 H22 Cd Cl6 N4 O5 -","- C28 H22 Cd Cl6 N4 O5 -","- C112 H88 Cd4 Cl24 N16 O20 -","4","0.5","LH5170","Kim, Jin Hoon; Kim, Cheal; Kim, Youngmee","Poly[[bis[μ-1,2-bis(4-pyridyl)ethene]bis(trichloroacetato)cadmium(II)] monohydrate]","Acta Crystallographica Section E","2011","67","1","m3","m4","10.1107/S1600536810049457","","","0.71073","MoKα","","0.0365","0.0318","","","0.0834","0.0854","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228801","13.454","0.003","7.6303","0.0015","24.305","0.005","90","","90","","90","","2495.1","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]thiophene-2-carbohydrazide","","- C13 H12 N2 O2 S -","- C13 H12 N2 O2 S -","- C104 H96 N16 O16 S8 -","8","1","LH5171","Jiang, Jin-He","<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2011","67","1","o32","","10.1107/S1600536810050002","","","0.71073","MoKα","","0.1307","0.0501","","","0.0989","0.1262","","","","","","0.893","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228802","7.1062","0.0016","11.6685","0.0019","17.677","0.002","90","","96.699","0.003","90","","1455.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2-{[2-(2-Aminoethylamino)ethyl]iminomethyl}phenolato)nickel(II) chloride dihydrate","","- C11 H20 Cl N3 Ni O3 -","- C11 H20 Cl N3 Ni O3 -","- C44 H80 Cl4 N12 Ni4 O12 -","4","1","LH5172","Wang, Dong'e","(2-{[2-(2-Aminoethylamino)ethyl]iminomethyl}phenolato)nickel(II) chloride dihydrate","Acta Crystallographica Section E","2011","67","1","m38","","10.1107/S1600536810050026","","","0.71073","Mokα","","0.1231","0.0794","","","0.1371","0.1523","","","","","","1.164","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228803","8.6178","0.0005","9.5901","0.0006","12.1543","0.0007","107.609","0.001","93.882","0.001","110.036","0.001","882.86","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diphenyl (2-chlorobenzylamido)phosphate","","- C19 H17 Cl N O3 P -","- C19 H17 Cl N O3 P -","- C38 H34 Cl2 N2 O6 P2 -","2","1","LH5173","Pourayoubi, Mehrdad; Zargaran, Poorya; Rheingold, Arnold L.; Golen, James A.","Diphenyl (2-chlorobenzylamido)phosphate","Acta Crystallographica Section E","2011","67","1","o5","","10.1107/S160053681004955X","","","0.71073","MoKα","","0.0356","0.0329","","","0.0826","0.0855","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228804","7.7996","0.0006","18.3702","0.001","9.9357","0.0006","90","","99.616","0.007","90","","1403.59","0.16","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-acetyl-3,5,5,9-tetramethyl-6,7,8,9-tetrahydro-5<i>H</i>-benzocyclohepten-7-one","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","LH5174","Benharref, Ahmed; Mazoir, Noureddine; Lassaba, Essediya; Daran, Jean-Claude; Berraho, Moha","2-Acetyl-3,5,5,9-tetramethyl-6,7,8,9-tetrahydro-5<i>H</i>-benzocyclohepten-7-one","Acta Crystallographica Section E","2011","67","1","o58","","10.1107/S1600536810050610","","","0.71073","MoKα","","0.0674","0.0519","","","0.1396","0.1452","","","","","","1.077","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228805","3.818","0.0001","20.816","0.0008","21.442","0.0008","90","","90","","90","","1704.11","0.1","291","","291","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Imidazolium picrate‒midazole‒water (1/1/1)","","- C12 H13 N7 O8 -","- C12 H13 N7 O8 -","- C48 H52 N28 O32 -","4","1","LH5175","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina; Aguirre, Lina","Imidazole‒imidazolium picrate monohydrate","Acta Crystallographica Section E","2011","67","1","o139","","10.1107/S160053681005169X","","","0.71073","MoKα","","0.058","0.04","","","0.098","0.109","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228806","11.939","0.0004","10.5595","0.0004","19.6084","0.0007","90","","107.369","0.002","90","","2359.31","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,9-Dimethyl-7-phenyl-<i>N</i>-(4-methylphenyl)dibenzo[<i>b</i>,<i>h</i>][1,6]naphthyridin-6-amine","","- C31 H25 N3 -","- C31 H25 N3 -","- C124 H100 N12 -","4","1","LH5177","Vennila, K. N.; Manoj, M.; Prabha, K.; Prasad, K. J. Rajendra; Velmurugan, D.","2,9-Dimethyl-7-phenyl-<i>N</i>-(4-methylphenyl)dibenzo[<i>b</i>,<i>h</i>][1,6]naphthyridin-6-amine","Acta Crystallographica Section E","2011","67","1","o102","o103","10.1107/S1600536810051196","","","0.71073","MoKα","","0.0628","0.0422","","","0.1105","0.1317","","","","","","1.071","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228807","8.7766","0.0003","9.0386","0.0003","10.4841","0.0003","87.601","0.002","75.505","0.002","69.554","0.002","753.53","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,3-Dibromo-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one","","- C14 H11 Br2 N O4 -","- C14 H11 Br2 N O4 -","- C28 H22 Br4 N2 O8 -","2","1","LH5178","Fun, Hoong-Kun; Shahani, Tara; Nithinchandra; Kalluraya, Balakrishna","2,3-Dibromo-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one","Acta Crystallographica Section E","2011","67","1","o79","","10.1107/S1600536810050488","","","0.71073","MoKα","","0.0568","0.0407","","","0.097","0.1025","","","","","","1.185","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228808","7.106","0.0001","7.8897","0.0001","15.1001","0.0002","91.285","0.001","101.251","0.001","101.129","0.001","813.102","0.019","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","4a-Hydroxy-9-(2-methoxyphenyl)-4,4a,5,6,7,8,9,9a-octahydro-3<i>H</i>- xanthene-1,8(2<i>H</i>)-dione","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","LH5179","Loh, Wan-Sin; Fun, Hoong-Kun; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.","4a-Hydroxy-9-(2-methoxyphenyl)-4,4a,5,6,7,8,9,9a-octahydro-3<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","1","o35","o36","10.1107/S1600536810050191","","","0.71073","MoKα","","0.0436","0.0378","","","0.1016","0.1095","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228809","5.2025","0.0007","18.066","0.003","17.56","0.002","90","","98.365","0.002","90","","1632.9","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 4-(1,3-dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)benzoate","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","LH5180","Chan, Yi Chen; Salhin, Abdussalam; Khairuddean, Melati; Hemamalini, Madhukar; Fun, Hoong-Kun","Ethyl 4-(1,3-dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)benzoate","Acta Crystallographica Section E","2011","67","1","o98","o99","10.1107/S160053681005049X","","","0.71073","MoKα","","0.0718","0.0654","","","0.1661","0.1707","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228810","8.135","0.0015","20.601","0.004","14.633","0.003","90","","99.323","0.003","90","","2419.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2,9-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>']bis(thiocyanato-κ<i>N</i>)cadmium(II)","","- C24 H20 Cd N8 S2 -","- C24 H20 Cd N8 S2 -","- C96 H80 Cd4 N32 S8 -","4","1","LH5181","Zheng, Lu Yi; Chi, Yan Hui","[2,9-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>']bis(thiocyanato-κ<i>N</i>)cadmium(II)","Acta Crystallographica Section E","2011","67","1","m68","","10.1107/S1600536810051275","","","0.71073","MoKα","","0.065","0.0459","","","0.0945","0.1011","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228811","28.525","0.004","9.3267","0.0013","20.58","0.003","90","","114.752","0.002","90","","4972.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(dimethylammonium) [cadmate(II)-bis(μ-1,1':4',1''-terphenyl-3,3''-dicarboxylato)]] dimethylformamide disolvate]","","- C50 H54 Cd N4 O10 -","- C50 H54 Cd N4 O10 -","- C200 H216 Cd4 N16 O40 -","4","0.5","LH5182","Park, Sang-Wook; Gu, Ja-Min; Kim, Youngmee; Huh, Seong","<i>catena</i>-Poly[[bis(dimethylammonium) [cadmate(II)-bis(μ-1,1':4',1''-terphenyl-3,3''-dicarboxylato)]] dimethylformamide disolvate]","Acta Crystallographica Section E","2011","67","1","m71","","10.1107/S1600536810051366","","","0.71073","MoKα","","0.0774","0.0455","","","0.11","0.1164","","","","","","0.9","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228812","17.0872","0.0009","8.2997","0.0004","24.3656","0.0013","90","","93.795","0.002","90","","3447.9","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4'-(1,8-Naphthalene-1,8-diyl)dibenzonitrile","","- C24 H14 N2 -","- C24 H14 N2 -","- C192 H112 N16 -","8","1","LH5183","Lima, Carlos F.; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Low, John Nicolson","4,4'-(1,8-Naphthalene-1,8-diyl)dibenzonitrile","Acta Crystallographica Section E","2011","67","1","o66","","10.1107/S160053681005083X","","","0.71073","MoKα","","0.0697","0.0478","","","0.1161","0.1311","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228813","9.277","0.002","14.625","0.003","10.46","0.002","90","","92.669","0.004","90","","1417.6","0.5","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis(2,2-diphenylvinyl)-1,1'-biphenyl","","- C40 H30 -","- C40 H30 -","- C80 H60 -","2","0.5","LH5185","Liu, Hong-Ni; Zhang, Gao; Hu, Lan; Su, Peng-Fei; Li, Yun-Feng","4,4'-Bis(2,2-diphenylvinyl)-1,1'-biphenyl","Acta Crystallographica Section E","2011","67","1","o220","","10.1107/S1600536810052840","","","0.71073","MoKα","","0.0695","0.0429","","","0.1017","0.1103","","","","","","0.94","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228814","10.2737","0.001","10.4325","0.0011","15.0308","0.0017","90","","93.646","0.001","90","","1607.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzothiazol-2-amine‒3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2- carboxylic acid (1/1)","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","LH5186","Li, Jian","Benzothiazol-2-amine‒3-methoxycarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (1/1)","Acta Crystallographica Section E","2011","67","1","o199","","10.1107/S1600536810052542","","","0.71073","MoKα","","0.0942","0.0457","","","0.0954","0.1226","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228815","16.9676","0.001","7.0266","0.0005","12.6135","0.0006","90","","93.004","0.003","90","","1501.77","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","1","LH5187","Kargar, Hadi; Kia, Reza; Froozandeh, Fatemeh; Hossaini Sadr, Moayad; Tahir, Muhammad Nawaz","(5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)(pyridin-4-yl)methanone monohydrate","Acta Crystallographica Section E","2011","67","1","o209","","10.1107/S160053681005275X","","","0.71073","MoKα","","0.0875","0.0481","","","0.1039","0.1205","","","","","","1.025","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228816","9.4651","0.0008","25.6544","0.0019","8.3365","0.0006","90","","112.787","0.001","90","","1866.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethanaminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate","","- C12 H15 Br4 N O5 -","- C12 H15 Br4 N O5 -","- C48 H60 Br16 N4 O20 -","4","1","LH5189","Li, Jian","Ethanaminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate","Acta Crystallographica Section E","2011","67","1","o200","","10.1107/S1600536810052591","","","0.71073","MoKα","","0.1295","0.0421","","","0.0614","0.0681","","","","","","0.994","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228817","5.7215","0.0001","10.7241","0.0001","20.671","0.0003","90","","98.255","0.001","90","","1255.19","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Oxo-2-phenylacetyl)benzamide","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","LH5192","Fun, Hoong-Kun; Goh, Jia Hao; Wu, Dongdong; Zhang, Yan","<i>N</i>-(2-Oxo-2-phenylacetyl)benzamide","Acta Crystallographica Section E","2011","67","1","o197","","10.1107/S160053681005258X","","","0.71073","MoKα","","0.0674","0.0443","","","0.1105","0.1241","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228818","4.4128","0.0003","12.8534","0.0008","10.486","0.0007","90","","90.762","0.002","90","","594.71","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,3'-(1,2-ethanediyldinitrilo)bis(2-butanone) dioxime","3,8-Dimethyl-4,7-diazadeca-3,7-diene-2,9-dione dioxime","","- C10 H18 N4 O2 -","- C10 H18 N4 O2 -","- C20 H36 N8 O4 -","2","0.5","LX2184","Achiwawanich, Supakit; Duangtongyou, Tanwawan; Pakawatchai, Chaveng; Siripaisarnpipat, Sutatip","3,8-Dimethyl-4,7-diazadeca-3,7-diene-2,9-dione dioxime","Acta Crystallographica Section E","2011","67","1","o135","","10.1107/S1600536810051603","","","0.71073","MoKα","","0.0706","0.0485","","","0.1205","0.1316","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228819","15.6597","0.0004","8.2959","0.0001","19.5409","0.0005","90","","110.306","0.0009","90","","2380.82","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(7,12:14,19-diimino-21,5-nitrilo-5H- tribenzo[c,h,m][1,6,11]triazacyclopentadecinato)(4-nitrophenoxy)boron(III)","","- C30 H16 B N7 O3 -","- C30 H16 B N7 O3 -","- C120 H64 B4 N28 O12 -","4","1","NC2204","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","(4-Nitrophenolato)(subphthalocyaninato)boron(III)","Acta Crystallographica Section E","2011","67","1","o57","","10.1107/S1600536810050580","","","0.71073","MoKα","","0.0841","0.0493","","","0.1192","0.1412","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228820","10.977","0.002","16.36","0.003","12.767","0.003","90","","94.85","0.03","90","","2284.5","0.8","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11- tetraazacyclotetradecane)nickel(II) bis[<i>O</i>,<i>O</i>'-bis(4-methylphenyl) thiophosphate]","","- C44 H64 N4 Ni O6 P2 S2 -","- C44 H64 N4 Ni O6 P2 S2 -","- C88 H128 N8 Ni2 O12 P4 S4 -","2","0.5","NC2207","Xiang, Yang-Guang; Xie, Bin; Zou, Li-Ke; Feng, Jian-Shen; Lai, Chuan","(<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis[<i>O</i>,<i>O</i>'-bis(4-methylphenyl) thiophosphate]","Acta Crystallographica Section E","2011","67","1","m59","","10.1107/S1600536810051184","","","0.71073","MoKα","","0.0852","0.0529","","","0.1121","0.1217","","","","","","0.987","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228821","10.064","0.002","21.147","0.004","10.237","0.002","90","","91.76","0.03","90","","2177.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tetraaquabis(μ~3~-benzene-1,3-dicarboxylato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')bis(μ~2~-benzene-1,3-dicarboxylato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')[μ~2~‒1,4-bis(1,2,4-triazol-1- yl)butane-κ^2^<i>N</i>:<i>N</i>']tetrazinc(II)]","","- C40 H36 N6 O20 Zn4 -","- C40 H36 N6 O20 Zn4 -","- C80 H72 N12 O40 Zn8 -","2","0.5","NC2208","Fu, Gui-Hong","Poly[tetraaquabis(μ~3~-benzene-1,3-dicarboxylato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')bis(μ~2~-benzene-1,3-dicarboxylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane-κ^2^<i>N</i>:<i>N</i>']tetrazinc(II)]","Acta Crystallographica Section E","2011","67","1","m73","","10.1107/S1600536810051433","","","0.71073","MoKα","","0.0291","0.0241","","","0.0561","0.0581","","","","","","1.038","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228822","12.152","0.002","8.987","0.0018","10.179","0.002","90","","103.86","0.03","90","","1079.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[3-Methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethanone","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","NC2210","Zhang, Chun-Hua; Zhao, Jing-Min; Chen, Bao-Guo","1-[3-Methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethanone","Acta Crystallographica Section E","2011","67","1","o150","","10.1107/S1600536810052074","","","0.71073","MoKα","","0.0808","0.0556","","","0.1492","0.1688","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228823","9.8646","0.0014","26.145","0.004","11.9306","0.0016","90","","90","","90","","3077","0.8","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-[4-(2-Amino-2-oxoethyl)phenoxy]-2-hydroxy-<i>N</i>-isopropylpropanaminium 1,1'-binaphthyl-2,2'-diyl phosphate","","- C34 H35 N2 O7 P -","- C34 H35 N2 O7 P -","- C136 H140 N8 O28 P4 -","4","1","NG5070","Wang, En-Ju; Chen, Guang-Ying","3-[4-(2-Amino-2-oxoethyl)phenoxy]-2-hydroxy-<i>N</i>-isopropylpropanaminium 1,1'-binaphthyl-2,2'-diyl phosphate","Acta Crystallographica Section E","2011","67","1","o91","","10.1107/S1600536810049494","","","0.71073","MoKα","","0.0618","0.0383","","","0.0785","0.0883","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228824","10.635","0.005","21.073","0.01","11.197","0.005","90","","116.647","0.005","90","","2242.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquabis(benzoato-κ<i>O</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C26 H20 N2 O5 Zn -","- C26 H20 N2 O5 Zn -","- C104 H80 N8 O20 Zn4 -","4","1","NG5072","Liu, Ji-Zhong; Zhang, Zhong; Shi, Zhan-Wang; Gao, Peng","Aquabis(benzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2011","67","1","m30","","10.1107/S1600536810049639","","","0.71073","MoKα","","0.0341","0.0279","","","0.074","0.0765","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228825","17.1797","0.0006","10.0736","0.0004","17.47","0.0007","90","","90","","90","","3023.4","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>'-Diphenylthiourea acetone monosolvate","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","1","NG5077","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Becker, Barbara","<i>N</i>,<i>N</i>'-Diphenylthiourea acetone monosolvate","Acta Crystallographica Section E","2011","67","1","o55","","10.1107/S1600536810050300","","","0.71073","MoKα","","0.0606","0.0387","","","0.0877","0.0924","","","","","","0.939","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228826","18.715","0.004","7.512","0.002","22.73","0.005","90","","102.07","0.03","90","","3124.9","1.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(2-methyl-1,3-diazinan-2-yl)pyridine","","- C15 H25 N5 -","- C15 H25 N5 -","- C120 H200 N40 -","8","2","NG5081","Ton, Quoc-Cuong; Bolte, Michael","2,6-Bis(2-methyl-1,3-diazinan-2-yl)pyridine","Acta Crystallographica Section E","2011","67","1","o41","","10.1107/S1600536810050063","","","0.71073","MoKα","","0.0441","0.0357","","","0.0946","0.0975","","","","","","1.354","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228827","6.604","0.001","13.358","0.002","15.474","0.002","90","","90","","90","","1365.1","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-Diphenylbut-2-enediamide","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","NG5082","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.; Fuess, Hartmut","<i>N</i>,<i>N</i>'-Diphenylbut-2-enediamide","Acta Crystallographica Section E","2011","67","1","o117","","10.1107/S1600536810051330","","","1.5418","CuKα","","0.045","0.0433","","","0.0984","0.1002","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228828","15.4908","0.0013","5.3475","0.0003","12.1716","0.0009","90","","109.795","0.009","90","","948.68","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-Ammonium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","","- C8 H15 N O4 -","- C8 H15 N O4 -","- C32 H60 N4 O16 -","4","1","NG5083","Smith, Graham; Wermuth, Urs D.","<i>rac</i>-Ammonium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","Acta Crystallographica Section E","2011","67","1","o174","","10.1107/S1600536810051883","","","0.71073","MoKα","","0.0897","0.0579","","","0.1299","0.1413","","","","","","0.992","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228829","5.7552","0.0001","26.4052","0.0005","9.7662","0.0002","90","","101.388","0.001","90","","1454.92","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(4-Chlorophenyl)-2-isobutylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C14 H14 Cl N3 S -","- C14 H14 Cl N3 S -","- C56 H56 Cl4 N12 S4 -","4","1","NG5089","Fun, Hoong-Kun; Hemamalini, Madhukar; Prasad, D. Jagadeesh; Nagaraja, G. K.; Anitha, V. V.","6-(4-Chlorophenyl)-2-isobutylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2011","67","1","o207","","10.1107/S1600536810052621","","","0.71073","MoKα","","0.0623","0.0499","","","0.126","0.1353","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228830","19.337","0.006","14.824","0.005","13.932","0.005","90","","97.94","0.01","90","","3955","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 5'-(2-hydroxyphenyl)-4',5',6',7'-tetrahydrospiro[2<i>H</i>-1-benzopyran-2,7'- 1,2,4-triazolo[1,5-<i>a</i>]pyrimidine]-3-carboxylate","","- C21 H18 N4 O4 -","- C21 H18 N4 O4 -","- C168 H144 N32 O32 -","8","2","NK2069","Kettmann, Viktor; Světlík, Jan","Methyl 5'-(2-hydroxyphenyl)-4',5',6',7'-tetrahydrospiro[2<i>H</i>-1-benzopyran-2,7'-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine]-3-carboxylate","Acta Crystallographica Section E","2011","67","1","o92","","10.1107/S160053681005052X","","","0.71073","MoKα","","0.1113","0.053","","","0.1112","0.1342","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228831","12.492","0.003","19.513","0.004","16.835","0.003","90","","99.45","0.03","90","","4047.9","1.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bromidotricarbonyl[2-phenyl-5-(pyridin-2-yl-κ<i>N</i>)-1,3,4-oxadiazole- κ<i>N</i>^4^]rhenium(I) dichloromethane monosolvate","","- C17 H11 Br Cl2 N3 O4 Re -","- C17 H11 Br Cl2 N3 O4 Re -","- C136 H88 Br8 Cl16 N24 O32 Re8 -","8","1","NK2078","Shi, Lin-Fang; Si, Zhen-Jun; Li, Yan-Wei; Cao, Hua-Ru; Guan, Ying","Bromidotricarbonyl[2-phenyl-5-(pyridin-2-yl-κ<i>N</i>)-1,3,4-oxadiazole-κ<i>N</i>^4^]rhenium(I) dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","1","m88","m89","10.1107/S1600536810052360","","","0.71073","MoKα","","0.048","0.0421","","","0.1011","0.1067","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228832","8.36","0.004","17.57","0.008","11.165","0.005","90","","99.542","0.005","90","","1617.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tri-2-pyridylamine)nickel(II) bis(perchlorate)","","- C30 H24 Cl2 N8 Ni O8 -","- C30 H24 Cl2 N8 Ni O8 -","- C60 H48 Cl4 N16 Ni2 O16 -","2","0.5","NK2079","Wang, Shi; He, Wenrui; Huang, Wei","Bis(tri-2-pyridylamine)nickel(II) bis(perchlorate)","Acta Crystallographica Section E","2011","67","1","m78","","10.1107/S1600536810051627","","","0.71073","MoKα","","0.0704","0.0394","","","0.0864","0.0964","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228833","12.031","0.002","13.113","0.003","13.22","0.003","77.44","0.03","71.43","0.03","72.23","0.03","1865.9","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Acridine‒benzene-1,3,5-tricarboxylic acid (3/1)","","- C48 H33 N3 O6 -","- C48 H33 N3 O6 -","- C96 H66 N6 O12 -","2","1","OM2368","Aghabozorg, Hossein; Goodarzi, Saba; Mirzaei, Masoud; Notash, Behrouz","Acridine‒benzene-1,3,5-tricarboxylic acid (3/1)","Acta Crystallographica Section E","2011","67","1","o126","","10.1107/S1600536810050233","","","0.71073","MoKα","","0.1256","0.0592","","","0.1501","0.2184","","","","","","0.948","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228834","11.0801","0.0003","10.9095","0.0003","29.2474","0.0007","90","","90","","90","","3535.38","0.16","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-enecarboxylate","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C144 H176 Cl8 N8 O24 -","8","1","OM2378","Alexander, Mariano S.; North, Henry; Scott, Kenneth R.; Butcher, Ray J.","<i>tert</i>-Butyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-enecarboxylate","Acta Crystallographica Section E","2011","67","1","o224","","10.1107/S1600536810051743","","","0.71073","MoKα","","0.0663","0.0547","","","0.1636","0.1717","","","","","","1.093","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228835","21.242","0.002","7.5743","0.0009","16.141","0.002","90","","97.652","0.001","90","","2573.9","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{(<i>E</i>)-2-[(2-chloro-3-pyridyl)iminomethyl]-6-methoxyphenolato- κ^2^<i>N</i>,<i>O</i>^1^}copper(II)","","- C26 H20 Cl2 Cu N4 O4 -","- C26 H20 Cl2 Cu N4 O4 -","- C104 H80 Cl8 Cu4 N16 O16 -","4","0.5","OM2379","Dong, Wen-Kui; Wang, Yuan; Wu, Jian-Chao; Zhang, Shou-Ting","Bis{(<i>E</i>)-2-[(2-chloro-3-pyridyl)iminomethyl]-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^}copper(II)","Acta Crystallographica Section E","2011","67","1","m91","","10.1107/S1600536810052414","","","0.71073","MoKα","","0.0571","0.0347","","","0.0688","0.0746","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228836","7.7203","0.0005","14.2043","0.001","21.28","0.002","90","","90","","90","","2333.6","0.3","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(<i>Z</i>)-Methyl 2-[2,3-bis(benzyloxycarbonyl)guanidino]-4-methylpentanoate","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","OM2385","Fronczek, Chris F.; Kil, HyunJoo; McLaughlin, Mark L.; Fronczek, Frank R.","(<i>S</i>)-(<i>Z</i>)-Methyl 2-[2,3-bis(benzyloxycarbonyl)guanidino]-4-methylpentanoate","Acta Crystallographica Section E","2011","67","1","o27","o28","10.1107/S1600536810050130","","","0.71073","MoKα","","0.0522","0.0425","","","0.0953","0.1007","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228837","8.57511","0.00016","14.0424","0.0003","14.0842","0.0003","90","","100.206","0.001","90","","1669.12","0.06","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Chlorophenyl)(2,7-dimethoxy-8-nitronaphthalen-1-yl)methanone","","- C19 H14 Cl N O5 -","- C19 H14 Cl N O5 -","- C76 H56 Cl4 N4 O20 -","4","1","OM2387","Nishijima, Takahiro; Nagasawa, Atsushi; Takada, Teruhisa; Okamoto, Akiko; Yonezawa, Noriyuki","(4-Chlorophenyl)(2,7-dimethoxy-8-nitronaphthalen-1-yl)methanone","Acta Crystallographica Section E","2011","67","1","o155","","10.1107/S1600536810051998","","","1.54187","CuKα","","0.0357","0.0331","","","0.0899","0.0927","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228838","7.111","0.0014","25.291","0.003","7.656","0.0015","90","","111.472","0.003","90","","1281.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","i>N</i>'-(2-Chlorobenzylidene)-2-fluorobenzohydrazide","","- C14 H10 Cl F N2 O -","- C14 H10 Cl F N2 O -","- C56 H40 Cl4 F4 N8 O4 -","4","1","OM2388","Zhang, Wei-Guang","<i>N</i>'-(2-Chlorobenzylidene)-2-fluorobenzohydrazide","Acta Crystallographica Section E","2011","67","1","o233","","10.1107/S1600536810053043","","","0.71073","MoKα","","0.0927","0.053","","","0.1086","0.1233","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228839","13.516","0.008","14.193","0.006","14.987","0.011","70.151","0.01","79.62","0.02","69.7","0.009","2530","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4- tetrahydroquinolin-4-yl]pyrrolidin-2-one monohydrate","","- C28 H26 N4 O5 -","- C28 H26 N4 O5 -","- C112 H104 N16 O20 -","4","2","OM2389","Gutierrez, Margarita; Vallejos, Gabriel; Fernández, Carlos; Cárdenas, Alejandro; Brito, Iván","1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one monohydrate","Acta Crystallographica Section E","2011","67","1","o175","o176","10.1107/S1600536810052463","","","0.71073","MoKα","","0.1456","0.0976","","","0.2073","0.2402","","","","","","1.162","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228840","9.0406","0.0002","17.8177","0.0005","25.9964","0.0006","90","","90","","90","","4187.57","0.18","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2,4-Dichlorophenoxy)-1-(4-methoxyphenyl)-4-(3-nitrophenyl)azetidin-2-one","","- C22 H16 Cl2 N2 O5 -","- C22 H16 Cl2 N2 O5 -","- C176 H128 Cl16 N16 O40 -","8","1","OM2390","Akkurt, Mehmet; Türktekin, Sevim; Jarrahpour, Aliasghar; Badrabady, Seid Ali Torabi; Büyükgüngör, Orhan","3-(2,4-Dichlorophenoxy)-1-(4-methoxyphenyl)-4-(3-nitrophenyl)azetidin-2-one","Acta Crystallographica Section E","2011","67","1","o183","","10.1107/S1600536810052645","","","0.71073","MoKα","","0.0669","0.0468","","","0.1184","0.1287","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228841","9.133","0.0008","12.4857","0.0012","20.44","0.002","90","","97.775","0.003","90","","2309.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{2-<i>tert</i>-Butyl-6-[2-(4-hydroxyphenyl)ethenyl]-1-propyl-1,4- dihydropyridin-4-ylidene}indane-1,3-dione","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C116 H116 N4 O12 -","4","1","PB2048","Ha, Kwang; Park, Sae Byul; Kim, Hyung Jin","(<i>E</i>)-2-{2-<i>tert</i>-Butyl-6-[2-(4-hydroxyphenyl)ethenyl]-1-propyl-1,4-dihydropyridin-4-ylidene}indane-1,3-dione","Acta Crystallographica Section E","2011","67","1","o141","","10.1107/S1600536810051044","","","0.71073","MoKα","","0.1765","0.0634","","","0.1031","0.1435","","","","","","0.945","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228842","27.2482","0.0005","6.6211","0.0001","13.6283","0.0003","90","","97.203","0.001","90","","2439.32","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 6-dimethylamino-4-hydroxy-2-naphthoate","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","PK2285","Do, Jun Ho; Hwang, Kwang-Jin; Kim, Moon-Hwan; Kim, Chong-Hyeak","Methyl 6-dimethylamino-4-hydroxy-2-naphthoate","Acta Crystallographica Section E","2011","67","1","o230","","10.1107/S1600536810053237","","","0.71073","MoKα","","0.0733","0.0473","","","0.1324","0.1507","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228843","4.8688","0.001","7.685","0.0015","11.174","0.002","90","","92.38","0.03","90","","417.73","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(1<i>H</i>-Tetrazol-5-yl)pyridinium bromide","","- C6 H6 Br N5 -","- C6 H6 Br N5 -","- C12 H12 Br2 N10 -","2","1","PK2287","Zheng, Wen-Ni; Chen, Xin-Yuan","4-(1<i>H</i>-Tetrazol-5-yl)pyridinium bromide","Acta Crystallographica Section E","2011","67","1","o53","","10.1107/S1600536810050658","","","0.71073","MoKα","","0.0339","0.0294","","","0.0559","0.0576","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228844","12.0294","0.001","16.0651","0.0013","15.3762","0.0012","90","","103.385","0.001","90","","2890.8","0.4","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2'-Iodo-2,2'',3,3'',4,4'',5,5'',6,6''-decamethyl-1,1':3',1''-terphenyl chloroform monosolvate","","- C29 H34 Cl3 I -","- C29 H34 Cl3 I -","- C116 H136 Cl12 I4 -","4","1","PK2291","Olaru, Marian; Roşca, Sorin; Raţ, Ciprian I.","2'-Iodo-2,2'',3,3'',4,4'',5,5'',6,6''-decamethyl-1,1':3',1''-terphenyl chloroform monosolvate","Acta Crystallographica Section E","2011","67","1","o213","","10.1107/S1600536810052736","","","0.71073","MoKα","","0.089","0.066","","","","0.137","","","","","","1.13","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228845","38.985","0.017","5.764","0.003","14.925","0.006","90","","109.191","0.013","90","","3167","3","423","2","423","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-{[5-(4-Bromophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazol-2-yl]methyl}- 1,2-benzoxazole","","- C18 H11 Br N4 O S -","- C18 H11 Br N4 O S -","- C144 H88 Br8 N32 O8 S8 -","8","1","PV2359","Banu, Afshan; Ziaulla, Mohamed; Begum, Noor Shahina; Lamani, Ravi S.; Khazi, I. M.","3-{[5-(4-Bromophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole","Acta Crystallographica Section E","2011","67","1","o154","","10.1107/S1600536810052232","","","0.71073","MoKα","","0.076","0.0521","","","0.128","0.1418","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228846","9.445","0.002","12.168","0.003","12.74","0.003","95.965","0.004","91.36","0.003","99.787","0.004","1433.8","0.6","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) bis[<i>O</i>,<i>O</i>'-bis(4-<i>tert</i>-butylphenyl) dithiophosphate]","","- C56 H84 N4 Ni O4 P2 S4 -","- C56 H84 N4 Ni O4 P2 S4 -","- C56 H84 N4 Ni O4 P2 S4 -","1","0.5","PV2360","Lai, Chuan; Xie, Bin; Zou, Li-Ke; Feng, Jian-Shen","(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) bis[<i>O</i>,<i>O</i>'-bis(4-<i>tert</i>-butylphenyl) dithiophosphate]","Acta Crystallographica Section E","2011","67","1","m17","","10.1107/S1600536810049615","","","0.71073","MoKα","","0.063","0.0414","","","0.0916","0.1011","","","","","","0.998","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228847","12.445","0.0003","14.3866","0.0003","24.1913","0.0005","90","","90","","90","","4331.24","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[3-(2-Chlorophenyl)-5-oxo-1,5-diphenylpentylidene]malononitrile","","- C26 H19 Cl N2 O -","- C26 H19 Cl N2 O -","- C208 H152 Cl8 N16 O8 -","8","1","PV2363","Du, Bai-Xiang; Zhou, Jie; Li, Yu-Ling; Wang, Xiang-Shan","2-[3-(2-Chlorophenyl)-5-oxo-1,5-diphenylpentylidene]malononitrile","Acta Crystallographica Section E","2011","67","1","o62","","10.1107/S1600536810050622","","","0.71073","MoKα","","0.0889","0.0486","","","0.1307","0.1531","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228848","9.454","0.0019","10.963","0.002","12.167","0.002","90","","93.21","0.03","90","","1259.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-(2,6-difluorobenzyl)-1<i>H</i>-1,2,3-triazole-4-carboxylate","","- C12 H11 F2 N3 O2 -","- C12 H11 F2 N3 O2 -","- C48 H44 F8 N12 O8 -","4","1","PV2364","Jia, Jing; Lu, Dingqiang","Ethyl 1-(2,6-difluorobenzyl)-1<i>H</i>-1,2,3-triazole-4-carboxylate","Acta Crystallographica Section E","2011","67","1","o127","","10.1107/S1600536810050014","","","0.71073","MoKα","","0.0783","0.0546","","","0.1443","0.1625","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228849","9.5737","0.0012","13.7064","0.0017","12.0766","0.0015","90","","106.643","0.002","90","","1518.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II)","","- C13 H19 Cl2 N3 O Zn -","- C13 H19 Cl2 N3 O Zn -","- C52 H76 Cl8 N12 O4 Zn4 -","4","1","PV2366","Ikmal Hisham, Nurul Azimah; Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II)","Acta Crystallographica Section E","2011","67","1","m55","","10.1107/S1600536810050671","","","0.71073","MoKα","","0.0411","0.0336","","","0.0866","0.0912","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228850","11.3244","0.001","16.5528","0.0019","12.1622","0.0011","90","","113.261","0.006","90","","2094.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{4,4'-Dimethoxy-2,2'-[4,5-dimethyl-o-phenylenebis(nitrilomethylidyne)] diphenolato}nickel(II)","{5,5'-Dimethoxy-2,2'-[4,5-dimethyl-<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)","","- C24 H22 N2 Ni O4 -","- C24 H22 N2 Ni O4 -","- C96 H88 N8 Ni4 O16 -","4","1","PV2367","Sahraei, Atefeh; Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","{5,5'-Dimethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)","Acta Crystallographica Section E","2011","67","1","m82","m83","10.1107/S1600536810051834","","","0.71073","MoKα","","0.0862","0.0477","","","0.0829","0.0921","","","","","","0.983","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228851","10.509","0.004","20.32","0.007","10.925","0.004","90","","117.577","0.005","90","","2067.9","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{benzyl 3-[(1<i>H</i>-indol-3-yl)methylidene]dithiocarbazato- κ^2^<i>N</i>^3^,<i>S</i>}palladium(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C40 H42 N8 O2 Pd S4 -","- C40 H42 N8 O2 Pd S4 -","- C80 H84 N16 O4 Pd2 S8 -","2","0.5","PV2368","Khaledi, Hamid; Mohd Ali, Hapipah","Bis{benzyl 3-[(1<i>H</i>-indol-3-yl)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}palladium(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","1","m84","","10.1107/S1600536810051780","","","0.71073","MoKα","","0.0443","0.0295","","","0.0676","0.0742","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228852","6.6501","0.0015","15.68","0.003","13.103","0.002","90","","118.769","0.012","90","","1197.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{<i>N</i>'-[1-(2-pyridin-2-yl)ethylidene]acetohydrazide- κ^2^<i>N</i>',<i>O</i>}copper(II)","","- C9 H11 Cl2 Cu N3 O -","- C9 H11 Cl2 Cu N3 O -","- C36 H44 Cl8 Cu4 N12 O4 -","4","1","PV2372","Datta, Amitabha; Das, Kuheli; Jhou, Yan-Ming; Huang, Jui-Hsien; Lee, Hon Man","Dichlorido{<i>N</i>'-[1-(2-pyridin-2-yl)ethylidene]acetohydrazide-κ^2^<i>N</i>',<i>O</i>}copper(II)","Acta Crystallographica Section E","2011","67","1","m123","","10.1107/S1600536810053195","","","0.71073","MoKα","","0.0403","0.03","","","0.0712","0.0752","","","","","","1.017","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228853","8.5707","0.0017","18.414","0.004","12.206","0.002","90","","106.89","0.03","90","","1843.3","0.7","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3-Bromopropyl 2-(2-chlorophenyl)-2-(4,5,6,7- tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)acetate","","- C18 H19 Br Cl N O2 S -","- C18 H19 Br Cl N O2 S -","- C72 H76 Br4 Cl4 N4 O8 S4 -","4","1","RK2241","Chen, Ji-Fang; Liu, Ying; Wang, Jing-Yang; Liu, Deng-Ke","3-Bromopropyl 2-(2-chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)acetate","Acta Crystallographica Section E","2011","67","1","o221","","10.1107/S1600536810053134","","","1.54187","CuKα","","0.0381","0.0351","","","0.0937","0.0969","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228854","21.6256","0.0005","25.3751","0.0007","7.123","0.0002","90","","90","","90","","3908.76","0.18","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Poly[[μ~2~-(1<i>Z</i>,N'<i>E</i>)-2-(1,3-benzothiazol-2-ylsulfanyl)- <i>N</i>'-(2-oxidobenzylidene-κ^2^<i>O</i>:<i>O</i>)acetohydrazidato- κ^2^<i>O</i>,<i>N</i>'](pyridine-κ<i>N</i>)copper(II)]","","- C21 H16 Cu N4 O2 S2 -","- C21 H16 Cu N4 O2 S2 -","- C168 H128 Cu8 N32 O16 S16 -","8","1","RK2250","Bon, Vladimir V.; Orysyk, Svitlana I.; Pekhnyo, Vasily I.","Poly[[μ~2~-(1<i>Z</i>,<i>N</i>'<i>E</i>)-2-(1,3-benzothiazol-2-ylsulfanyl)-<i>N</i>'-(2-oxidobenzylidene-κ^2^<i>O</i>:<i>O</i>)acetohydrazidato-κ^2^<i>O</i>,<i>N</i>'](pyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2011","67","1","m11","","10.1107/S160053681004986X","","","0.71073","MoKα","","0.0614","0.0368","","","0.0787","0.0886","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228855","9.656","0.002","10.617","0.002","11.187","0.003","90","","112.874","0.004","90","","1056.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido[1-(4,5-dihydro-1,3-thiazol-2-yl-κ<i>N</i>)ethanone thiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II)","","- C6 H9 Cl N4 Ni S2 -","- C6 H9 Cl N4 Ni S2 -","- C24 H36 Cl4 N16 Ni4 S8 -","4","1","RK2251","Viñuelas-Zahínos, Emilio; Luna-Giles, Francisco; Torres-García, Pablo; Bernalte-García, Álvaro","Chlorido[1-(4,5-dihydro-1,3-thiazol-2-yl-κ<i>N</i>)ethanone thiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II)","Acta Crystallographica Section E","2011","67","1","m79","","10.1107/S1600536810051500","","","0.71073","MoKα","","0.0604","0.0341","","","","0.0755","","","","","","1.053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228856","7.7425","0.0016","11.871","0.002","25.306","0.005","90","","90","","90","","2325.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","19-Benzoyloxy-13,16-<i>seco</i>-<i>ent</i>-beyeran 13,16-lactone","","- C27 H34 O5 -","- C27 H34 O5 -","- C108 H136 O20 -","4","1","RN2071","Cai, Jin; Zha, Xiaoming","19-Benzoyloxy-13,16-<i>seco</i>-<i>ent</i>-beyeran 13,16-lactone","Acta Crystallographica Section E","2011","67","1","o134","","10.1107/S1600536810051561","","","0.71073","MoKα","","0.0955","0.0511","","","0.124","0.1542","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228857","11.331","0.006","14.567","0.009","17.873","0.011","90","","96.015","0.019","90","","2934","3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Azido[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>'](η^5^- indenyl)ruthenium(II)","","- C35 H31 N3 P2 Ru -","- C35 H31 N3 P2 Ru -","- C140 H124 N12 P8 Ru4 -","4","1","RN2075","Sung, Hui-Ling; Hsu, Hsiu-Ling; Kuo, Ting-Shen","Azido[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>'](η^5^-indenyl)ruthenium(II)","Acta Crystallographica Section E","2011","67","1","m124","","10.1107/S1600536810053006","","","0.71073","MoKα","","0.1388","0.0525","","","0.076","0.096","","","","","","0.753","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228858","6.8188","0.0003","7.7366","0.0004","11.3671","0.0005","92.658","0.004","96.313","0.004","94.515","0.004","593.26","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","cobalt(II) 3,5-dinitrosalicylate tetrahydrate","<i>catena</i>-Poly[[[diaquacobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^-[tetraaquacobalt(II)]-μ-(3,5- dinitro-2-oxidobenzoato)-κ^3^<i>O</i>^1^:<i>O</i>^1'^,<i>O</i>^2^] dihydrate]","","- C14 H20 Co2 N4 O22 -","- C14 H20 Co2 N4 O22 -","- C14 H20 Co2 N4 O22 -","1","0.5","RN2077","Smith, Graham; Wermuth, Urs D.","<i>catena</i>-Poly[[[diaquacobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^-[tetraaquacobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κ^3^<i>O</i>^1^:<i>O</i>^1'^,<i>O</i>^2^] dihydrate]","Acta Crystallographica Section E","2011","67","1","m119","m120","10.1107/S1600536810052694","","","0.71073","MoKα","","0.0266","0.0225","","","0.0598","0.0608","","","","","","1.068","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228859","15.7417","0.0002","15.1192","0.0002","19.4803","0.0003","90","","117.827","0.001","90","","4100.21","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,4,6-trimethoxyphenyl)penta-1,4-dien-3-one","","- C23 H26 O7 -","- C23 H26 O7 -","- C184 H208 O56 -","8","2","RZ2523","Ruanwas, Pumsak; Chantrapromma, Suchada; Fun, Hoong-Kun","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,4,6-trimethoxyphenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2011","67","1","o33","o34","10.1107/S1600536810049299","","","0.71073","MoKα","","0.0795","0.0521","","","0.1215","0.1388","","","","","","1.038","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228860","8.6323","0.0017","6.7133","0.0013","8.6841","0.0017","90","","100.99","0.03","90","","494.02","0.17","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,4,6-Trimethylpyridinium dihydrogen phosphate","","- C8 H11 N O4 P -","- C8 H11 N O4 P -","- C16 H22 N2 O8 P2 -","2","0.5","RZ2528","Cai, Hong-Ling; Dai, Jing","2,4,6-Trimethylpyridinium dihydrogen phosphate","Acta Crystallographica Section E","2011","67","1","o72","","10.1107/S1600536810050646","","","0.71073","MoKα","","0.0531","0.0469","","","0.1392","0.1439","","","","","","1.175","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228861","9.8748","0.0004","9.9098","0.0003","26.124","0.001","90","","101.138","0.002","90","","2508.27","0.16","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-Bis[(3-allylimidazol-3-ium-1-yl)methyl]benzene bis(hexafluoridophosphate)","3,3'-Diallyl-1,1'-[<i>m</i>-phenylenebis(methylidene)]diimidazol-3-ium bis(hexafluoridophosphate)","","- C20 H24 F12 N4 P2 -","- C20 H24 F12 N4 P2 -","- C80 H96 F48 N16 P8 -","4","1","RZ2529","Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Abdallah, Hassan H.; Quah, Ching Kheng; Fun, Hoong-Kun","1,3-Bis[(3-allylimidazol-3-ium-1-yl)methyl]benzene bis(hexafluoridophosphate)","Acta Crystallographica Section E","2011","67","1","o80","o81","10.1107/S1600536810050683","","","0.71073","MoKα","","0.1236","0.1079","","","0.1947","0.2011","","","","","","1.144","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228862","7.5006","0.0015","29.031","0.006","7.9361","0.0016","90","","95.54","0.03","90","","1720","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[4-(4,5-Dihydro-1<i>H</i>-imidazol-2-yl)phenyl]-4,5-dihydro- 1<i>H</i>-imidazol-3-ium 4-aminobenzoate","","- C19 H21 N5 O2 -","- C19 H21 N5 O2 -","- C76 H84 N20 O8 -","4","1","RZ2530","Song, Xiu-Mei; Li, Jun-Jun; Liu, Xin-Hua; Ren, Chun-Xia; Shang, Shao-Ming","2-[4-(4,5-Dihydro-1<i>H</i>-imidazol-2-yl)phenyl]-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-aminobenzoate","Acta Crystallographica Section E","2011","67","1","o179","","10.1107/S1600536810051202","","","0.71073","MoKα","","0.1095","0.0554","","","0.1269","0.1456","","","","","","0.975","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228863","12.653","0.0003","15.5256","0.0004","19.7819","0.0005","90","","90","","90","","3886.06","0.17","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(9,11-Dimethoxy-4-oxo-2,3,4,6,7,11b-hexahydro-1<i>H</i>-pyrido[2,1-<i>a</i>]isoquinolin-3-yl)benzamide","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","2","RZ2531","Fun, Hoong-Kun; Kuntiyong, Punlop; Tuntiwachwuttikul, Pittaya; Chantrapromma, Suchada","<i>N</i>-(9,11-Dimethoxy-4-oxo-2,3,4,6,7,11b-hexahydro-1<i>H</i>-pyrido[2,1-<i>a</i>]isoquinolin-3-yl)benzamide","Acta Crystallographica Section E","2011","67","1","o113","o114","10.1107/S1600536810050737","","","0.71073","MoKα","","0.0387","0.0368","","","0.0966","0.0981","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228864","23.211","0.002","12.4312","0.0012","8.1329","0.0008","90","","107.902","0.001","90","","2233.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[tris(μ~2~-1<i>H</i>-benzimidazole-5- carboxylato)europium(III)]","","- C24 H15 Eu N6 O6 -","- C24 H15 Eu N6 O6 -","- C96 H60 Eu4 N24 O24 -","4","1","RZ2533","Gao, Junlin; Wang, Jun; Dai, Chuntao","<i>catena</i>-Poly[tris(μ~2~-1<i>H</i>-benzimidazole-5-carboxylato)europium(III)]","Acta Crystallographica Section E","2011","67","1","m75","","10.1107/S1600536810051706","","","0.71073","MoKα","","0.0233","0.0219","","","0.053","0.0543","","","","","","1.054","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228865","11.004","0.002","12.642","0.003","21.725","0.004","79.601","0.003","78.593","0.003","76.11","0.003","2847.7","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Bis{<i>N</i>,<i>N</i>-bis[(diphenylphosphanyl)methyl]aniline- κ^2^<i>P</i>,<i>P</i>'}copper(I) tetrafluoridoborate","","- C64 H58 B Cu F4 N2 P4 -","- C64 H58 B Cu F4 N2 P4 -","- C128 H116 B2 Cu2 F8 N4 P8 -","2","1","RZ2534","Shang, Jing; Huang, Li-Li; Huang, Ting-Hong; Ma, Kai; Ni, Qing-Ling","Bis{<i>N</i>,<i>N</i>-bis[(diphenylphosphanyl)methyl]aniline-κ^2^<i>P</i>,<i>P</i>'}copper(I) tetrafluoridoborate","Acta Crystallographica Section E","2011","67","1","m96","","10.1107/S160053681005186X","","","0.71073","MoKα","","0.0933","0.0588","","","0.1699","0.1976","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228866","8.268","0.0002","28.1043","0.0006","10.5047","0.0002","90","","92.234","0.001","90","","2439.08","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[(<i>E</i>)-(2-Hydroxybenzylidene)amino]-1<i>H</i>-1,3-benzimidazole- 2(3<i>H</i>)-thione","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C112 H88 N24 O8 S8 -","8","2","RZ2535","Tabassum, Zishan; Sulaiman, Othman; Afzal, Mohd.; Hemamalini, Madhukar; Fun, Hoong-Kun","5-[(<i>E</i>)-(2-Hydroxybenzylidene)amino]-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","1","o144","o145","10.1107/S160053681005172X","","","0.71073","MoKα","","0.1001","0.0631","","","0.1252","0.1402","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228867","11.3166","0.0003","19.4841","0.0003","14.0155","0.0004","90","","110.172","0.003","90","","2900.77","0.13","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,2'-Bis(methoxymethoxy)-3,3'-diphenyl-1,1'-binaphthalene","","- C36 H30 O4 -","- C36 H30 O4 -","- C144 H120 O16 -","4","2","RZ2537","Zong, Hua; Huang, Hua-Yin; Hu, Bing; Bian, Guang-Ling; Song, Ling","2,2'-Bis(methoxymethoxy)-3,3'-diphenyl-1,1'-binaphthalene","Acta Crystallographica Section E","2011","67","1","o222","","10.1107/S1600536810053018","","","0.71073","MoKα","","0.056","0.0363","","","0.0662","0.0692","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228868","7.077","0.002","25.718","0.004","7.6844","0.0017","90","","111.64","0.003","90","","1300","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-Fluoro-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide","","- C14 H10 F N3 O3 -","- C14 H10 F N3 O3 -","- C56 H40 F4 N12 O12 -","4","1","RZ2538","Wu, Hong-Yun; Ban, Hong-Yan; Wang, Jia-Bo; Zhang, Li-Hua","(<i>E</i>)-2-Fluoro-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","1","o160","","10.1107/S1600536810052268","","","0.71073","MoKα","","0.1841","0.0672","","","0.1266","0.1731","","","","","","0.981","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228869","7.8093","0.0016","11.035","0.002","11.776","0.003","94.268","0.004","106.544","0.004","104.568","0.005","929.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4-({4-[Bis(2-cyanoethyl)amino]phenyl}diazenyl)benzenesulfonamide","","- C18 H18 N6 O2 S -","- C18 H18 N6 O2 S -","- C36 H36 N12 O4 S2 -","2","1","RZ2541","Gervasio, Giuliana; Marabello, Domenica; Bertolotti, Federica","4-({4-[Bis(2-cyanoethyl)amino]phenyl}diazenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","1","o231","","10.1107/S1600536810053158","","","0.71073","MoKα","","0.1188","0.0495","","","0.0552","0.0552","","","","","","0.858","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228870","6.0991","0.0012","19.63","0.004","8.3699","0.0016","90","","93.073","0.002","90","","1000.6","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[(Dimethylamino)methyl]phenyl}bis(4-methylphenyl)bismuthane","","- C23 H26 Bi N -","- C23 H26 Bi N -","- C46 H52 Bi2 N2 -","2","1","SI2298","Kawahata, Masatoshi; Yasuike, Shuji; Kinebuchi, Izumi; Yamaguchi, Kentaro; Kurita, Jyoji","{2-[(Dimethylamino)methyl]phenyl}bis(4-methylphenyl)bismuthane","Acta Crystallographica Section E","2011","67","1","m25","","10.1107/S1600536810043655","","","0.71073","MoKα","","0.0221","0.0192","","","0.0362","0.037","","","","","","0.995","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228871","7.117","0.004","23.093","0.013","11.241","0.005","90","","127.56","0.02","90","","1464.5","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(1-Adamantyl)carbamoyl]pyridinium chloride","","- C16 H21 Cl N2 O -","- C16 H21 Cl N2 O -","- C64 H84 Cl4 N8 O4 -","4","1","SI2302","Wang, Yingchun","4-[(1-Adamantyl)carbamoyl]pyridinium chloride","Acta Crystallographica Section E","2011","67","1","o210","","10.1107/S1600536810052499","","","0.71073","MoKα","","0.0675","0.0556","","","0.1314","0.1386","","","","","","1.105","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228872","15.9477","0.0003","15.9477","0.0003","13.2461","0.0003","90","","90","","90","","3368.87","0.12","290","1","290","1","","","","","","","","4","I -4 2 d","I -4 2bw","122","","caesium niobium phosphorus hexasulfide","","- Cs0.49 Nb P S6 -","- Cs0.487 Nb P S6 -","- Cs7.792 Nb16 P16 S96 -","16","1","SI2311","Lee, Eunsil; Lee, Yonghee; Yun, Hoseop","Cs~0.49~NbPS~6~","Acta Crystallographica Section E","2011","67","1","i4","","10.1107/S1600536810052724","","","0.71073","MoKα","","","0.0195","","","","0.0473","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228873","8.2827","0.0004","10.9513","0.0005","9.6201","0.0003","90","","92.536","0.002","90","","871.75","0.06","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>N</i>-(Trimethylsilyl)methanesulfonamide","","- C4 H13 N O2 S Si -","- C4 H13 N O2 S Si -","- C16 H52 N4 O8 S4 Si4 -","4","2","SI2314","McWilliams, Andrew R.; Gezahegna, Sossina; Lough, Alan J.","<i>N</i>-(Trimethylsilyl)methanesulfonamide","Acta Crystallographica Section E","2011","67","1","o93","","10.1107/S1600536810050336","","","0.71073","MoKα","","0.0518","0.0392","","","0.0841","0.0939","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228874","13.8022","0.0006","14.1954","0.0005","13.6208","0.0005","90","","91.196","0.001","90","","2668.11","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Rh(Htren)Cl~3]Cl*0.5H~2O","<i>fac</i>-{2-[Bis(2-aminoethyl)amino]ethanaminium}trichloridorhodium(III) chloride hemihydrate","","- C6 H20 Cl4 N4 O0.5 Rh -","- C6 H20 Cl4 N4 O0.5 Rh -","- C48 H160 Cl32 N32 O4 Rh8 -","8","2","SI2315","Kutzky, Barbara; Neis, Christian; Hegetschweiler, Kaspar","<i>fac</i>-{2-[Bis(2-aminoethyl)amino]ethanaminium}trichloridorhodium(III) chloride hemihydrate","Acta Crystallographica Section E","2011","67","1","m92","m93","10.1107/S1600536810051846","","","0.71073","MoKα","","0.0271","0.0252","","","0.0637","0.065","","","","","","1.178","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2228875","9.807","0.003","10.091","0.003","10.528","0.003","99.78","0.02","109.34","0.02","115.18","0.02","828.7","0.5","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]-6-(morpholin-4-ylmethyl)phenol","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","SI2317","Akkurt, Mehmet; Türktekin, Sevim; Jarrahpour, Aliasghar; Sharghi, Hashem; Badrabady, Seid Ali Torabi; Aberi, Mahdi; Büyükgüngör, Orhan","2-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]-6-(morpholin-4-ylmethyl)phenol","Acta Crystallographica Section E","2011","67","1","o147","o148","10.1107/S1600536810052311","","","0.71073","MoKα","","0.0497","0.0415","","","0.116","0.121","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228876","8.462","0.001","8.518","0.001","14.418","0.003","93.131","0.006","97.871","0.007","90.21","0.008","1027.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dibromidobis(1-ethyl-2,6-dimethylpyridinium-4-olate-κ<i>O</i>)zinc(II)","","- C18 H26 Br2 N2 O2 Zn -","- C18 H26 Br2 N2 O2 Zn -","- C36 H52 Br4 N4 O4 Zn2 -","2","1","SJ5050","Thenmozhi, M.; Philominal, A.; Dhanuskodi, S.; Ponnuswamy, M. N.","Dibromidobis(1-ethyl-2,6-dimethylpyridinium-4-olate-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2011","67","1","m103","m104","10.1107/S1600536810052190","","","0.71073","MoKα","","0.0716","0.0594","","","0.1809","0.189","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228877","7.9829","0.0003","8.4143","0.0003","12.6554","0.0005","70.888","0.002","81.553","0.002","77.104","0.002","780.44","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-[4-(Acetamido)benzenesulfonamido]benzoic acid","","- C15 H14 N2 O5 S -","- C15 H14 N2 O5 S -","- C30 H28 N4 O10 S2 -","2","1","SJ5052","Mirza, Sidra Muzaffar; Mustafa, Ghulam; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Shafiq, Muhammad","3-[4-(Acetamido)benzenesulfonamido]benzoic acid","Acta Crystallographica Section E","2011","67","1","o25","o26","10.1107/S1600536810048397","","","0.71073","MoKα","","0.0741","0.0543","","","0.1377","0.1497","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228878","14.208","0.003","6.5159","0.0013","21.722","0.004","90","","90","","90","","2011","0.7","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diaqua-μ~3~-4-nitrophthalato-copper(II)]","","- C8 H7 Cu N O8 -","- C8 H7 Cu N O8 -","- C64 H56 Cu8 N8 O64 -","8","1","SJ5060","Guo, Ming-Lin","Poly[diaqua-μ~3~-4-nitrophthalato-copper(II)]","Acta Crystallographica Section E","2011","67","1","m21","m22","10.1107/S1600536810049792","","","0.71073","MoKα","","0.06","0.0481","","","0.1378","0.1441","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228879","18.809","0.004","6.9224","0.0014","9.6849","0.0019","90","","90","","90","","1261","0.4","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[tetraaqua-di-μ~4~-malonato-barium(II)cadmium(II)]","","- C6 H12 Ba Cd O12 -","- C6 H12 Ba Cd O12 -","- C24 H48 Ba4 Cd4 O48 -","4","0.5","SJ5064","Guo, Ming-Lin; Gao, Wen-Jun; Luo, Cong-Cong; Liu, Long","Poly[tetraaqua-di-μ~4~-malonato-barium(II)cadmium(II)]","Acta Crystallographica Section E","2011","67","1","m23","m24","10.1107/S1600536810049780","","","0.71073","MoKα","","0.0639","0.0603","","","0.1594","0.1612","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228880","13.934","0.016","4.974","0.005","13.098","0.014","90","","110.546","0.012","90","","850","1.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Fluorophenoxy)propanoic acid","","- C9 H9 F O3 -","- C9 H9 F O3 -","- C36 H36 F4 O12 -","4","1","SJ5066","Zhou, Yao-Yuan; Gu, Xiao-Bo; Jiang, Meng-Jun; Cai, Gang-Ming","3-(2-Fluorophenoxy)propanoic acid","Acta Crystallographica Section E","2011","67","1","o121","","10.1107/S1600536810049974","","","0.71073","MoKα","","0.1036","0.0799","","","0.1764","0.189","","","","","","0.979","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228881","8.8259","0.0007","8.8651","0.0008","11.6775","0.0008","74.691","0.007","75.174","0.007","78.681","0.007","843.76","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","2-Bromo-1-(3-nitrophenyl)ethanone","","- C8 H6 Br N O3 -","- C8 H6 Br N O3 -","- C32 H24 Br4 N4 O12 -","4","2","SJ5067","Jasinski, Jerry P.; Butcher, Ray J.; Praveen, A. S.; Yathirajan, H. S.; Narayana, B.","2-Bromo-1-(3-nitrophenyl)ethanone","Acta Crystallographica Section E","2011","67","1","o29","o30","10.1107/S1600536810049585","","","1.54178","CuKα","","0.0922","0.0897","","","0.245","0.2478","","","","","","1.121","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228882","7.422","0.0015","10.441","0.002","11.419","0.002","82.92","0.03","81.62","0.03","76.01","0.03","845.9","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(formato- κ^2^<i>O</i>,<i>O</i>')(formato-κ<i>O</i>)cobalt(II) monohydrate","","- C16 H18 Co N2 O6 -","- C16 H18 Co N2 O6 -","- C32 H36 Co2 N4 O12 -","2","1","SJ5068","Ni, Sheng-Liang; Xia, Ping; Cao, Feng","Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(formato-κ^2^<i>O</i>,<i>O</i>')(formato-κ<i>O</i>)cobalt(II) monohydrate","Acta Crystallographica Section E","2011","67","1","m39","m40","10.1107/S1600536810050051","","","0.71073","MoKα","","0.043","0.0348","","","0.0935","0.0983","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228883","16.154","0.003","13.295","0.003","13.537","0.002","90","","120.324","0.002","90","","2509.5","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-<i>N</i>'-(3-Hydroxybenzylidene)-3-nitrobenzohydrazide","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C112 H88 N24 O32 -","8","1","SJ5070","Mao, Fu-Lin; Dai, Chun-Hua","(<i>E</i>)-<i>N</i>'-(3-Hydroxybenzylidene)-3-nitrobenzohydrazide","Acta Crystallographica Section E","2011","67","1","o7","","10.1107/S1600536810049482","","","0.71073","MoKα","","0.1024","0.0542","","","0.1188","0.1435","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228884","13.349","0.0018","9.1243","0.0012","22.541","0.003","90","","113.191","0.006","90","","2523.7","0.6","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","16-[(<i>E</i>)-4-Bromobenzylidene]-13-(4-bromophenyl)-2-hydroxy-11- methyl-1,11-diazapentacyclo[12.3.1.0^2,10^.0^3,8^.0^10,14^]octadeca-3(8),4,6- triene-9,15-dione","","- C30 H24 Br2 N2 O3 -","- C30 H24 Br2 N2 O3 -","- C120 H96 Br8 N8 O12 -","4","1","SJ5073","Kumar, Raju Suresh; Osman, Hasnah; Perumal, Subbu; Goh, Jia Hao; Fun, Hoong-Kun","16-[(<i>E</i>)-4-Bromobenzylidene]-13-(4-bromophenyl)-2-hydroxy-11-methyl-1,11-diazapentacyclo[12.3.1.0^2,10^.0^3,8^.0^10,14^]octadeca-3(8),4,6-triene-9,15-dione","Acta Crystallographica Section E","2011","67","1","o137","o138","10.1107/S1600536810051585","","","0.71073","MoKα","","0.059","0.0424","","","0.1104","0.1202","","","","","","1.017","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228885","25.9337","0.0004","10.81","0.0001","14.1426","0.0002","90","","118.961","0.001","90","","3468.99","0.09","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Methyl-5-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C160 H160 N32 O16 -","16","2","SJ5074","Loh, Wan-Sin; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Sarveswari, S.","4-Methyl-5-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","1","o151","o152","10.1107/S160053681005213X","","","0.71073","MoKα","","0.0517","0.0438","","","0.1117","0.1186","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228886","9.658","0.002","11.723","0.002","14.732","0.003","90","","93.216","0.002","90","","1665.3","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)-2-methylbenzohydrazide","","- C15 H12 I2 N2 O2 -","- C15 H12 I2 N2 O2 -","- C60 H48 I8 N8 O8 -","4","2","SJ5075","Tang, Chun-Bao","<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)-2-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","1","o166","","10.1107/S1600536810052050","","","0.71073","MoKα","","0.0651","0.0433","","","0.0808","0.0894","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228887","9.3455","0.0003","23.6079","0.0006","10.0517","0.0004","90","","103.819","0.004","90","","2153.49","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Disopropyl {[(2<i>S</i>,3<i>S</i>)-2-amino-3-methylpentanamido](phenyl)methyl}phosphonate","","- C19 H33 N2 O4 P -","- C19 H33 N2 O4 P -","- C76 H132 N8 O16 P4 -","4","2","SU2222","Cheng, Hong-Ming; Zhang, Han-Wen; Fang, Hua; Wu, Zhen; Zhao, Yu-Fen","Disopropyl {[(2<i>S</i>,3<i>S</i>)-2-amino-3-methylpentanamido](phenyl)methyl}phosphinate","Acta Crystallographica Section E","2011","67","1","o194","","10.1107/S1600536810051354","","","0.71073","MoKα","","0.0707","0.0432","","","0.0636","0.068","","","","","","0.822","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228888","19.606","0.006","4.7904","0.0015","9.812","0.003","90","","90.501","0.006","90","","921.5","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Azaniumyl-4-(ethylcarbamoyl)butanoate","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C28 H56 N8 O12 -","4","1","SU2225","Kang, Shou-Kai; Chen, Yue-Hu; Qian, Shao-Song; Hu, Hao","2-Azaniumyl-4-(ethylcarbamoyl)butanoate: the zwitterionic form of the amino acid theanine","Acta Crystallographica Section E","2011","67","1","o82","","10.1107/S1600536810050701","","","0.71073","MoKα","","0.1022","0.0505","","","0.1205","0.1467","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228889","9.948","0.002","18.228","0.003","19.039","0.003","84.737","0.002","82.862","0.002","86.127","0.002","3405.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(4-Chlorobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","","- C37 H43 Cl O2 Sn -","- C37 H43 Cl O2 Sn -","- C148 H172 Cl4 O8 Sn4 -","4","2","SU2232","Yang, Min","(4-Chlorobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","Acta Crystallographica Section E","2011","67","1","m74","","10.1107/S160053681005107X","","","0.71069","MoKα","","0.0366","0.0268","","","0.0657","0.0715","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228890","19.7306","0.0011","28.7632","0.0019","7.1906","0.0004","90","","90","","90","","4080.8","0.4","120","","120","","","","","","","","","4","F d d 2","F 2 -2d","43","","Naphthalene-2,6-dicarboxylic acid‒1-methylpyrrolidin-2-one (1/2)","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","0.5","SU2234","Wu, Bianhua; Peng, Ge; Cheng, Youwei; Li, Xi; Liu, Jiyong","Naphthalene-2,6-dicarboxylic acid‒1-methylpyrrolidin-2-one (1/2)","Acta Crystallographica Section E","2011","67","1","o208","","10.1107/S1600536810052396","","","0.71073","MoKα","","0.0519","0.0368","","","0.0782","0.0865","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228891","23.807","0.002","11.9688","0.0012","12.0192","0.0008","90","","95.672","0.005","90","","3408","0.5","160","1","160","1","","","","","","","","4","C 1 2 1","C 2y","5","(<i>E</i>)-3-(1-naphthylamino)methylene-(+)-camphor","(<i>E</i>)-1,7,7-trimethyl-3-[(1- naphthylamino)methylidene]bicyclo[2.2.1]heptan-2-one","","- C21 H23 N O -","- C21 H23 N O -","- C168 H184 N8 O8 -","8","2","SU2235","Pastrán, Jesús; Ineichen, Emilio; Agrifoglio, Giuseppe; Linden, Anthony; Dorta, Romano","(<i>E</i>)-3-(1-Naphthylamino)methylene-(+)-camphor","Acta Crystallographica Section E","2011","67","1","o188","o189","10.1107/S1600536810052487","","","0.71073","MoKα","","0.0949","0.0592","","","0.1354","0.1553","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228892","8.0907","0.001","15.754","0.002","8.4529","0.0011","90","","104.205","0.002","90","","1044.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Phenylmorpholine-4-carboxamide","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","SU2236","Meng, Shuang-Ming; Wang, Ke-Wei; Xie, Hai; Fan, Yue-Qin; Guo, Yong","<i>N</i>-Phenylmorpholine-4-carboxamide","Acta Crystallographica Section E","2011","67","1","o225","","10.1107/S1600536810052207","","","0.71073","MoKα","","0.0524","0.0401","","","0.0971","0.105","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228893","11.2988","0.0003","19.8679","0.0004","10.4679","0.0003","90","","112.693","0.001","90","","2167.96","0.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-3-azaniumylbenzoato)- κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>': <i>O</i>;κ^4^<i>O</i>:<i>O</i>'-bis[triaquachloridolanthanum(III)] tetrachloride dihydrate","","- C28 H44 Cl6 La2 N4 O16 -","- C28 H40 Cl6 La2 N4 O14 -","- C56 H80 Cl12 La4 N8 O28 -","2","0.5","SU2239","Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude","Tetrakis(μ-3-azaniumylbenzoato)-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^4^<i>O</i>:<i>O</i>'-bis[triaquachloridolanthanum(III)] tetrachloride dihydrate","Acta Crystallographica Section E","2011","67","1","m115","m116","10.1107/S1600536810052864","","","0.71073","MoKα","","0.0838","0.0444","","","0.103","0.1102","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228894","10.3802","0.0015","10.58","0.003","13.059","0.002","84.682","0.002","76.965","0.003","72.834","0.002","1334.5","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","[Malonato(2-)-κ^2^<i>O</i>,<i>O</i>']bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II) pentahydrate","","- C27 H28 N4 O9 Zn -","- C27 H28 N4 O9 Zn -","- C54 H56 N8 O18 Zn2 -","2","1","VM2055","Chen, Yan-Min; Xie, Qing-Fan","[Malonato(2{-})-κ^2^<i>O</i>,<i>O</i>']bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) pentahydrate","Acta Crystallographica Section E","2011","67","1","m66","m67","10.1107/S1600536810049573","","","0.71073","MoKα","","0.0439","0.0404","","","0.0953","0.0973","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228895","10.1804","0.0006","12.0198","0.0007","16.0191","0.001","91.752","0.003","101.606","0.003","104.4","0.003","1853.1","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","[4-(1-Benzofuran-2-yl)phenyl]diphenylamine","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","2","VM2056","Huang, Ping-Hsin; Lin, Kai-Ling; Wen, Yuh-Sheng","[4-(1-Benzofuran-2-yl)phenyl]diphenylamine","Acta Crystallographica Section E","2011","67","1","o109","","10.1107/S1600536810050439","","","0.71073","MoKα","","0.068","0.0446","","","0.1057","0.1149","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228896","20.6734","0.0009","11.9284","0.0005","9.342","0.0004","90","","111.77","0.003","90","","2139.44","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(1<i>H</i>-1,2,3-benzotriazol-1-yl)acetate","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C80 H88 N24 O16 -","8","1","VM2062","Li, Xiao-Xia; Chen, Zhong","Ethyl 2-(1<i>H</i>-1,2,3-benzotriazol-1-yl)acetate","Acta Crystallographica Section E","2011","67","1","o140","","10.1107/S160053681005138X","","","0.71073","MoKα","","0.1167","0.0668","","","0.1988","0.2314","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228897","14.531","0.003","8.09","0.0016","15.516","0.003","90","","110.04","0.03","90","","1713.6","0.7","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-fluorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile","","- C22 H14 F N3 -","- C22 H14 F N3 -","- C88 H56 F4 N12 -","4","1","VM2063","Wang, Jian-Qiang; Tang, Shi-Gui; Guo, Cheng","2-Amino-4-(4-fluorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile","Acta Crystallographica Section E","2011","67","1","o56","","10.1107/S1600536810050804","","","0.71073","MoKα","","0.0994","0.0615","","","0.1498","0.1768","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228898","7.3391","0.0012","6.5898","0.001","18.941","0.003","90","","91.192","0.009","90","","915.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>-methyl-<i>N</i>-phenylacetamide","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C36 H40 Cl4 N4 O4 -","4","1","VM2064","Zhi, Li-Hua; Wu, Wei-Na; Li, Xiao-Xia; Li, Yan-Wei; Wang, Yuan","2-Chloro-<i>N</i>-methyl-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2011","67","1","o68","","10.1107/S1600536810050427","","","0.71073","MoKα","","0.0755","0.044","","","0.1184","0.1359","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228899","13.4591","0.0006","4.7834","0.0003","30.4674","0.0014","90","","90","","90","","1961.5","0.18","296","","296","","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-[6-(4-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3]thiazol-2-yl]- <i>N</i>'-[(<i>E</i>)-4-methoxybenzylidene]acetohydrazide","","- C21 H17 Cl N4 O2 S -","- C21 H17 Cl N4 O2 S -","- C84 H68 Cl4 N16 O8 S4 -","4","1","VM2066","Akkurt, Mehmet; Güzeldemirci, Nuray Ulusoy; Karaman, Berin; Büyükgüngör, Orhan","2-[6-(4-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3]thiazol-2-yl]-<i>N</i>'-[(<i>E</i>)-4-methoxybenzylidene]acetohydrazide","Acta Crystallographica Section E","2011","67","1","o184","o185","10.1107/S1600536810052359","","","0.71073","MoKα","","0.0666","0.0588","","","0.1569","0.1642","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228900","7.992","0.004","9.003","0.004","12.216","0.006","79.641","0.014","84.646","0.014","72.154","0.012","822.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-ethyl-1<i>H</i>-imidazol-3-ium) tetrachloridocuprate(II)","","- C10 H18 Cl4 Cu N4 -","- C10 H18 Cl4 Cu N4 -","- C20 H36 Cl8 Cu2 N8 -","2","1","VM2067","Zhu, Run-Qiang","Bis(2-ethyl-1<i>H</i>-imidazol-3-ium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2011","67","1","m112","","10.1107/S160053681005261X","","","0.71073","MoKα","","0.0519","0.0391","","","0.1006","0.1226","","","","","","1.172","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228901","8.4624","0.0003","8.4624","0.0003","13.069","0.0007","90","","90","","120","","810.51","0.06","294","2","294","2","","","","","","","","4","P -6","P -6","174","","trizinc borate phosphate","","- B O7 P Zn3 -","- B O7 P Zn3 -","- B6 O42 P6 Zn18 -","6","1","WM2419","Zhang, Erpan; Zhao, Sangen; Zhang, Jianxiu; Fu, Peizhen; Yao, Jiyong","The β-modification of trizinc borate phosphate, Zn~3~(BO~3~)(PO~4~)","Acta Crystallographica Section E","2011","67","1","i3","","10.1107/S1600536810051871","","","0.71073","MoKα","","0.0224","0.0191","","","0.0389","0.0394","","","","","","0.962","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228902","21.72","0.0006","11.3812","0.0004","12.1628","0.0004","90","","115.524","0.002","90","","2713.21","0.16","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[bis(trimethylammonium) [hexa-μ~1,1~-azido-tetraazidotricobaltate(II,III)]]","","- C6 H20 Co3 N32 -","- C6 H20 Co3 N32 -","- C24 H80 Co12 N128 -","4","0.5","WM2430","Liu, Yan-Ju; Li, Yu-Xian; Xu, Min; Wang, Xia","The azide-bridged mixed-valent cobalt(II,III) compound [(CH~3~)~3~NH]~2~[Co^II^Co~2~^III^(N~3~)~10~]","Acta Crystallographica Section E","2011","67","1","m27","","10.1107/S1600536810049421","","","0.71073","MoKα","","0.0722","0.0317","","","0.0558","0.0611","","","","","","0.983","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228903","17.6243","0.0015","18.1889","0.0019","9.461","0.0011","90","","90","","90","","3032.9","0.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>cis</i>-Dichloridotetrakis(trimethylphosphane-κ<i>P</i>)ruthenium(II) benzene disolvate","","- C24 H48 Cl2 P4 Ru -","- C24 H48 Cl2 P4 Ru -","- C96 H192 Cl8 P16 Ru4 -","4","0.5","WM2431","Fu, Chen; Wen, Ting Bin","<i>cis</i>-Dichloridotetrakis(trimethylphosphane-κ<i>P</i>)ruthenium(II) benzene disolvate","Acta Crystallographica Section E","2011","67","1","m14","","10.1107/S1600536810049706","","","0.7107","MoKα","","0.1469","0.0578","","","0.0712","0.0807","","","","","","0.82","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228904","13.0931","0.0001","14.5865","0.0001","20.8724","0.0002","90","","90","","90","","3986.26","0.06","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraethylammonium (acetylacetonato)bromidotricarbonylrhenate(I)","","- C16 H27 Br N O5 Re -","- C16 H27 Br N O5 Re -","- C128 H216 Br8 N8 O40 Re8 -","8","1","WM2432","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","Tetraethylammonium (acetylacetonato)bromidotricarbonylrhenate(I)","Acta Crystallographica Section E","2011","67","1","m34","m35","10.1107/S1600536810050105","","","0.71073","MoKα","","","0.0191","","","","0.0466","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228905","12.837","0.003","11.162","0.003","13.244","0.003","90","","106.543","0.004","90","","1819.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis(<i>N</i>,<i>N</i>-diethylethylenediamine)nickel(II) dibromide","","- C12 H32 Br2 N4 Ni -","- C12 H32 Br2 N4 Ni -","- C48 H128 Br8 N16 Ni4 -","4","0.5","WM2433","Ferrara, Skylar J.; Mague, Joel T.; Donahue, James P.","<i>trans</i>-Bis(<i>N</i>,<i>N</i>-diethylethylenediamine)nickel(II) dibromide","Acta Crystallographica Section E","2011","67","1","m48","m49","10.1107/S1600536810050403","","","0.71073","MoKα","","0.0206","0.0194","","","0.0492","0.0498","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228906","6.609","0.0001","10.0398","0.0001","11.7843","0.0001","90","","95.897","0.001","90","","777.786","0.016","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","K2Ni[ZrF6]2(H2O)6","Dipotassium hexaaquanickel bis[hexafluoridozirconate(IV)]","","- F12 H12 K2 Ni O6 Zr2 -","- F12 H12 K2 Ni O6 Zr2 -","- F24 H24 K4 Ni2 O12 Zr4 -","2","0.5","WM2439","Oudahmane, Abdelghani; Mnaouer, Noura; El-Ghozzi, Malika; Avignant, Daniel","Dipotassium hexaaquanickel(II) bis[hexafluoridozirconate(IV)]","Acta Crystallographica Section E","2011","67","1","i6","i7","10.1107/S160053681005350X","","","0.71073","MoKα","","0.0292","0.0231","","","0.0503","0.0524","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228907","13.015","0.0018","7.918","0.0011","15.537","0.002","90","","112.03","0.002","90","","1484.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Spiro[indene-1,1'-benzo[<i>e</i>]indolin]-2'-one","","- C20 H13 N O -","- C20 H13 N O -","- C80 H52 N4 O4 -","4","1","XU5073","Chen, Jin-Xiang; Wang, Yu-Qin; Liu, Shu-Wen; Lin, Wei-Er; Chen, Zhi-Peng","Spiro[indene-1,1'-benzo[<i>e</i>]indolin]-2'-one","Acta Crystallographica Section E","2011","67","1","o9","","10.1107/S1600536810049809","","","0.71073","MoKα","","0.0879","0.0739","","","0.1882","0.1985","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228908","7.0508","0.0014","7.4007","0.0015","11.926","0.002","90","","96.56","0.03","90","","618.2","0.2","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5-(Pyridinium-4-yl)-1<i>H</i>-1,2,3,4-tetrazol-1-ide","","- C6 H5 N5 -","- C6 H5 N5 -","- C24 H20 N20 -","4","1","XU5093","Xu, Qian; Xu, Jie","5-(Pyridinium-4-yl)-1<i>H</i>-1,2,3,4-tetrazol-1-ide","Acta Crystallographica Section E","2011","67","1","o43","","10.1107/S1600536810050257","","","0.71073","MoKα","","0.0459","0.0395","","","0.0932","0.0957","","","","","","1.13","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228909","8.7102","0.0017","16.251","0.003","13.309","0.003","90","","91.49","0.03","90","","1883.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","1-[5-(Anthracen-9-yl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","1","XU5095","Wang, Ming-Liang; Dong, Bao-Li; Li, Yong-Hua","1-[5-(Anthracen-9-yl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2011","67","1","o94","","10.1107/S160053681005018X","","","0.71073","MoKα","","0.1272","0.0647","","","0.1229","0.1423","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228910","5.8956","0.0003","9.9224","0.0005","12.14","0.0007","94.508","0.005","99.544","0.004","98.895","0.004","687.95","0.06","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-Benzyl-2-cyano-3-phenylacrylamide","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","XU5098","Kang, Tai-Ran; Chen, Lian-Mei","(<i>E</i>)-<i>N</i>-Benzyl-2-cyano-3-phenylacrylamide","Acta Crystallographica Section E","2011","67","1","o8","","10.1107/S1600536810049548","","","1.54184","CuKα","","0.0394","0.0363","","","0.0923","0.0956","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228911","7.2325","0.0004","9.2","0.0007","10.0513","0.0007","114.184","0.007","94.647","0.005","97.91","0.005","597.27","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-[(2,4-Dimethylphenyl)imino]-1,3-thiazinan-4-one","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C24 H28 N4 O2 S2 -","2","1","XU5100","Zhao, Hua-Rong; Meng, Xiang-Wu","(<i>Z</i>)-2-[(2,4-Dimethylphenyl)imino]-1,3-thiazinan-4-one","Acta Crystallographica Section E","2011","67","1","o110","","10.1107/S1600536810051147","","","0.71073","MoKα","","0.0755","0.0477","","","0.0993","0.1154","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228912","10.684","0.004","8.151","0.003","14.747","0.005","90","","99.657","0.004","90","","1266","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-Hydroxy-3-methoxybenzyl)-1,3-thiazolidine-2,4-dione monohydrate","","- C11 H13 N O5 S -","- C11 H13 N O5 S -","- C44 H52 N4 O20 S4 -","4","1","XU5102","Xiong, Li-Yan; Wang, Ting-Fang; Zheng, Li-Ping; Zhang, Chuan; Wang, Feng-Chun","5-(4-Hydroxy-3-methoxybenzyl)-1,3-thiazolidine-2,4-dione monohydrate","Acta Crystallographica Section E","2011","67","1","o16","","10.1107/S1600536810049895","","","0.71073","MoKα","","0.049","0.0432","","","0.1139","0.1191","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228913","10.9464","0.0002","11.3682","0.0003","19.2638","0.0005","77.108","0.002","84.79","0.002","67.25","0.002","2154.95","0.1","97","","97","","","","","","","","","5","P -1","-P 1","2","","1,10-Phenanthrolin-1-ium nitrate‒ aquabis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(nitrato- κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')erbium(III)‒\1,10-phenanthroline‒water (1/1/0.5/2)","","- C44 H37 Er N7 O15 -","- C44 H37 Er N7 O15 -","- C88 H74 Er2 N14 O30 -","2","1","XU5103","Shen, Fwu Ming; Lush, Shie Fu","1,10-Phenanthrolin-1-ium nitrate‒aquabis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)‒1,10-phenanthroline‒water (1/1/0.5/2)","Acta Crystallographica Section E","2011","67","1","m86","m87","10.1107/S1600536810051767","","","0.71073","MoKα","","0.0463","0.0382","","","0.1031","0.1053","","","","","","1.049","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228914","7.192","0.002","9.622","0.003","27.534","0.009","90","","90","","90","","1905.4","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>)-3-Chloro-4-(2,5-dihydro-1<i>H</i>-pyrrol-1-yl)- 5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5- methylcyclohexyloxy]furan-2(5<i>H</i>)-one","","- C18 H26 Cl N O3 -","- C18 H26 Cl N O3 -","- C72 H104 Cl4 N4 O12 -","4","1","XU5106","Fu, Jian-Hua; Wang, Zhao-Yang; Xue, Fu-Ling; Huo, Jing-Pei","(5<i>S</i>)-3-Chloro-4-(2,5-dihydro-1<i>H</i>-pyrrol-1-yl)-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","1","o73","","10.1107/S1600536810051226","","","0.71073","MoKα","","0.1148","0.0515","","","0.1074","0.1291","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228915","10.3518","0.0002","13.4393","0.0002","22.5105","0.0003","90","","94.189","0.002","90","","3123.32","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis[μ-4-(diethylamino)benzoato- κ^2^<i>O</i>:<i>O</i>']bis[(<i>N</i>,<i>N</i>-diethylnicotinamide- κ<i>N</i>^1^)cobalt(II)]","","- C64 H84 Co2 N8 O10 -","- C64 H84 Co2 N8 O10 -","- C128 H168 Co4 N16 O20 -","2","0.5","XU5109","Hökelek, Tuncer; Sağlam, Ertuğrul Gazi; Tercan, Barış; Aybirdi, Özgür; Necefoğlu, Hacali","Tetrakis[μ-4-(diethylamino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)cobalt(II)]","Acta Crystallographica Section E","2011","67","1","m28","m29","10.1107/S160053681005004X","","","0.71073","MoKα","","0.0594","0.0446","","","0.1099","0.1188","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228916","10.812","0.004","6.317","0.002","12.49","0.005","90","","100.164","0.006","90","","839.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-bromo-3-hydroxybenzoate","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","1","XU5110","Huang, Hua-Rong; Du, Zhi-Yun; Lu, Yu-Jing; Fang, Yan-Xiong; Zhang, Kun","Methyl 4-bromo-3-hydroxybenzoate","Acta Crystallographica Section E","2011","67","1","o115","","10.1107/S1600536810051445","","","0.71073","MoKα","","0.1009","0.0578","","","0.154","0.1716","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228917","11.061","0.003","8.538","0.003","19.34","0.006","90","","105.535","0.004","90","","1759.7","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Furan-2-yl)-5-(2-nitrobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C20 H16 N2 O4 S -","- C20 H16 N2 O4 S -","- C80 H64 N8 O16 S4 -","4","1","XU5112","Huang, Zhao-Hui; Chu, Yong; Ye, De-Yong","2-(Furan-2-yl)-5-(2-nitrobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","1","o168","","10.1107/S1600536810052098","","","0.71073","MoKα","","0.0568","0.0467","","","0.1321","0.1396","","","","","","1.096","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228918","7.3535","0.0001","10.4958","0.0002","11.9856","0.0002","68.509","0.001","88.317","0.001","70.726","0.001","808.07","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Chlorophenyl)-3-ethylsulfinyl-5-iodo-7-methyl-1-benzofuran","","- C17 H14 Cl I O2 S -","- C17 H14 Cl I O2 S -","- C34 H28 Cl2 I2 O4 S2 -","2","1","XU5113","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-(4-Chlorophenyl)-3-ethylsulfinyl-5-iodo-7-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","1","o65","","10.1107/S1600536810051020","","","0.71073","MoKα","","0.0211","0.0202","","","0.0508","0.0514","","","","","","1.092","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228919","12.197","0.003","9.936","0.003","13.775","0.004","90","","103.43","0.004","90","","1623.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxylate","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C68 H80 N8 O8 S4 -","4","1","XU5117","Meng, Shuang-Ming; Wang, Ke-Wei; Xie, Hai; Fan, Yue-Qin; Guo, Yong","Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxylate","Acta Crystallographica Section E","2011","67","1","o226","","10.1107/S1600536810051986","","","0.71073","MoKα","","0.0615","0.0415","","","0.0979","0.1072","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228920","8.0438","0.0008","11.9359","0.0013","12.0614","0.0013","64.417","0.002","72.67","0.002","77.39","0.002","991.65","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","{2-[(Benzoyloxy)methyl]-1-oxo-3<i>H</i>-pyrrolizin-2-yl}methyl benzoate","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C46 H38 N2 O10 -","2","1","XU5119","Ali, Yousaf; Yousuf, Sammer; Afza, Nighat; Peng, Yu; Kalhoro, Mahboob Ali","{2-[(Benzoyloxy)methyl]-1-oxo-3<i>H</i>-pyrrolizin-2-yl}methyl benzoate","Acta Crystallographica Section E","2011","67","1","o172","o173","10.1107/S1600536810051974","","","0.71073","MoKα","","0.0882","0.0572","","","0.1412","0.1613","","","","","","1.012","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228921","7.9501","0.0016","15.324","0.003","9.0252","0.0018","90","","97.97","0.03","90","","1088.9","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4,6-Trimethylpyridinium dihydrogen phosphate","","- C8 H14 N O4 P -","- C8 H14 N O4 P -","- C32 H56 N4 O16 P4 -","4","2","XU5121","Dai, Jing; Xu, Jie","2,4,6-Trimethylpyridinium dihydrogen phosphate","Acta Crystallographica Section E","2011","67","1","o149","","10.1107/S1600536810052153","","","0.71073","MoKα","","0.0584","0.0439","","","0.0947","0.1011","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228922","11.5271","0.001","13.4599","0.0012","14.4479","0.0013","90","","93.342","0.002","90","","2237.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-(1<i>R</i>*,2<i>S</i>*,3<i>S</i>*)-Diethyl 4-methyl-2-phenyl-6-(2-phenylhydrazinylidene)cyclohex-4-ene-1,3-dicarboxylate","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","1","ZB2008","Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.","<i>rac</i>-(1<i>R</i>*,2<i>S</i>*,3<i>S</i>*)-Diethyl 4-methyl-2-phenyl-6-(2-phenylhydrazinylidene)cyclohex-4-ene-1,3-dicarboxylate","Acta Crystallographica Section E","2011","67","1","o153","","10.1107/S1600536810045058","","","0.71073","MoKα","","0.0736","0.0511","","","0.1285","0.1485","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228923","7.4674","0.0019","13.442","0.003","11.412","0.003","90","","102.598","0.006","90","","1117.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole)bis[diiodidozinc(II)]","","- C8 H16 I4 N8 Zn2 -","- C8 H16 I4 N8 Zn2 -","- C16 H32 I8 N16 Zn4 -","2","0.5","ZL2313","Zhang, Rongxian; Chen, Qiuyun; Yang, Xiaofei; Wu, Xiangyang","Bis(μ-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole)bis[diiodidozinc(II)]","Acta Crystallographica Section E","2011","67","1","m26","","10.1107/S160053681004852X","","","0.7107","MoKα","","0.0484","0.0397","","","0.0932","0.0984","","","","","","1.038","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228924","8.021","0.0016","8.337","0.0017","17.562","0.004","90","","90","","90","","1174.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(7-Fluoroquinazolin-4-yl)oxy]aniline","","- C14 H10 F N3 O -","- C14 H10 F N3 O -","- C56 H40 F4 N12 O4 -","4","1","ZL2317","Jia, Jing; Wang, Guibin; Lu, Dingqiang","4-[(7-Fluoroquinazolin-4-yl)oxy]aniline","Acta Crystallographica Section E","2011","67","1","o229","","10.1107/S1600536810053286","","","0.71073","MoKα","","0.0722","0.0449","","","0.0946","0.1098","","","","","","1.018","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228925","22.8919","0.0004","6.8676","0.0001","17.2789","0.0012","90","","111.307","0.008","90","","2530.8","0.2","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","3'-O-Acetyl-2'-deoxyuridine","(2<i>R</i>,3<i>S</i>,5<i>R</i>)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)- 2-(hydroxymethyl)tetrahydrofuran-3-yl acetate","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C88 H112 N16 O48 -","8","2","ZL2331","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.","3'-<i>O</i>-Acetyl-2'-deoxyuridine","Acta Crystallographica Section E","2011","67","1","o3","o4","10.1107/S160053681004938X","","","1.54187","CuKα","","0.0952","0.0483","","","0.1036","0.1486","","","","","","1.104","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228926","10.654","0.008","11.093","0.009","12.406","0.01","115.594","0.013","100.767","0.015","97.176","0.015","1263.6","1.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","Butyltrichlorido{2-[(diisopropylammonio)methyl]phenyl}tin(IV) dichloromethane monosolvate","","- C18 H32 Cl5 N Sn -","- C18 H32 Cl5 N Sn -","- C36 H64 Cl10 N2 Sn2 -","2","1","ZL2332","Rotar, Adina; Varga, Richard A.; Staninska, Malgorzata","Butyltrichlorido{2-[(diisopropylammonio)methyl]phenyl}tin(IV) dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","1","m56","","10.1107/S1600536810050713","","","0.71073","MoKα","","0.1048","0.0755","","","0.1952","0.213","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2228927","9.792","0.0005","12.1917","0.0004","12.2281","0.0006","90","","112.629","0.006","90","","1347.42","0.12","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl (<i>E</i>)-2-(<i>N</i>-phenylacetamido)but-2-enedioate","","- C14 H15 N O5 -","- C14 H15 N O5 -","- C56 H60 N4 O20 -","4","1","ZL2334","Guo, Shui Liang; Fu, Chen; Wen, Ting Bin","Dimethyl (<i>E</i>)-2-(<i>N</i>-phenylacetamido)but-2-enedioate","Acta Crystallographica Section E","2011","67","1","o78","","10.1107/S1600536810050890","","","0.71073","MoKα","","0.0452","0.0345","","","0.0883","0.0911","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228928","6.6736","0.0013","6.8838","0.0014","10.477","0.002","93.37","0.03","91.46","0.03","112.07","0.03","444.68","0.18","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato- κ^2^<i>O</i>^2^,<i>O</i>^3^)cadmium","","- C20 H14 Cd O10 -","- C20 H14 Cd O10 -","- C20 H14 Cd O10 -","1","0.5","ZL2335","Cui, Yue; Gao, Qian; Wang, Huan-Huan; Wang, Lin; Xie, Ya-Bo","Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato-κ^2^<i>O</i>^2^,<i>O</i>^3^)cadmium","Acta Crystallographica Section E","2011","67","1","m126","","10.1107/S1600536810053523","","","0.71073","MoKα","","0.017","0.0169","","","0.0451","0.0453","","","","","","1.119","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228929","9.025","0.0001","12.7496","0.0001","21.8011","0.0003","90","","98.114","0.001","90","","2483.43","0.05","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-{5-Chloro-3-[4-(methylsulfonyl)phenyl]-2-pyridyl}-2-methylpyridinium 2,4,6-trinitrophenolate","","- C24 H18 Cl N5 O9 S -","- C24 H18 Cl N5 O9 S -","- C96 H72 Cl4 N20 O36 S4 -","4","1","ZL2336","Jasinski, Jerry P.; Butcher, Ray J.; Siddegowda, M. S.; Yathirajan, H. S.; Ramesha, A. R.","Etoricoxibium picrate","Acta Crystallographica Section E","2011","67","1","o107","o108","10.1107/S1600536810050993","","","1.54178","CuKα","","0.0418","0.0378","","","0.101","0.1036","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228930","6.473","0.0005","8.4435","0.0006","13.0369","0.0009","82.171","0.006","88.034","0.006","85.622","0.006","703.62","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[(<i>E</i>)-2-Hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol","","- C15 H12 F3 N O3 -","- C15 H12 F3 N O3 -","- C30 H24 F6 N2 O6 -","2","1","ZQ2072","Karadağ, Aslı Tosyalı; Atalay, Şehriman; Genç, Hasan","2-[(<i>E</i>)-2-Hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol","Acta Crystallographica Section E","2011","67","1","o95","","10.1107/S1600536810050579","","","0.71073","MoKα","","0.1311","0.0476","","","0.0614","0.0768","","","","","","0.889","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228931","9.538","0.003","10.77","0.003","13.125","0.004","98.367","0.004","106.256","0.004","107.266","0.005","1197","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[<i>N</i>-Benzyl-<i>N</i>-(diphenylphosphanylmethyl)pyridin-2- amine]chloridomethylplatinum(II)","","- C26 H26 Cl N2 P Pt -","- C26 H26 Cl N2 P Pt -","- C52 H52 Cl2 N4 P2 Pt2 -","2","1","ZQ2076","Wang, Zhi-Wei; Qiao, Peng; Wang, Zi-Jia; Wan, Chong-Qing","[<i>N</i>-Benzyl-<i>N</i>-(diphenylphosphanylmethyl)pyridin-2-amine]chloridomethylplatinum(II)","Acta Crystallographica Section E","2011","67","1","m36","","10.1107/S1600536810049652","","","0.71073","MoKα","","0.0718","0.0497","","","0.1107","0.1233","","","","","","1.009","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228932","25.029","0.013","8.172","0.004","19.674","0.01","90","","118.417","0.008","90","","3539","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(4-methylphenyl)platinum(II)","","- C22 H26 Pt -","- C22 H26 Pt -","- C176 H208 Pt8 -","8","1","ZQ2077","Wang, Zhi-Wei; Liu, Ran; Liu, Hong-Yu; Wan, Chong-Qing","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(4-methylphenyl)platinum(II)","Acta Crystallographica Section E","2011","67","1","m37","","10.1107/S1600536810049664","","","0.71073","MoKα","","0.0241","0.0217","","","0.059","0.0608","","","","","","1.107","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228933","9.62","0.0009","5.279","0.0003","11.895","0.001","90","","96.667","0.003","90","","599.99","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-amino-1,2,4-triazol-1-ium nitrate","4-Amino-1<i>H</i>-1,2,4-triazol-1-ium nitrate","","- C2 H5 N5 O3 -","- C2 H5 N5 O3 -","- C8 H20 N20 O12 -","4","1","ZQ2079","Matulková, Irena; Císařová, Ivana; Němec, Ivan","4-Amino-1<i>H</i>-1,2,4-triazol-1-ium nitrate","Acta Crystallographica Section E","2011","67","1","o18","o19","10.1107/S1600536810049949","","","0.71073","MoKα","","0.0292","0.0268","","","0.0701","0.0726","","","","","","1.114","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228934","9.0194","0.0005","26.7946","0.0011","13.1773","0.0007","90","","132.054","0.003","90","","2364.6","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>'-[4-(dimethylamino)benzylidene]-<i>N</i>-[4-(3-methyl-3- phenylcyclobutyl)-1,3-thiazol-2-yl]acetohydrazide","","- C25 H27 Cl N4 O S -","- C25 H27 Cl N4 O S -","- C100 H108 Cl4 N16 O4 S4 -","4","1","ZS2082","Inkaya, Ersin; Dinçer, Muharrem; Çukurovalı, Alaaddin; Yılmaz, Engin","2-Chloro-<i>N</i>'-[4-(dimethylamino)benzylidene]-<i>N</i>-[4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazol-2-yl]acetohydrazide","Acta Crystallographica Section E","2011","67","1","o131","o132","10.1107/S1600536810049962","","","0.71073","MoKα","","0.1561","0.0704","","","0.0982","0.1207","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228935","8.3499","0.0007","14.7703","0.0012","14.5134","0.0012","90","","95.055","0.002","90","","1783","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{3-[Bis(2-pyridylmethyl-κ<i>N</i>)amino-κ<i>N</i>]propanol}bis(nitrato- κ<i>O</i>)copper(II)","","- C15 H19 Cu N5 O7 -","- C15 H19 Cu N5 O7 -","- C60 H76 Cu4 N20 O28 -","4","1","ZS2083","Rowthu, Sankara Rao; Shin, Jong Won; Seo, Yu Rim; Min, Kil Sik","{3-[Bis(2-pyridylmethyl-κ<i>N</i>)amino-κ<i>N</i>]propanol}bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","1","m85","","10.1107/S1600536810051779","","","0.71073","MoKα","","0.132","0.0527","","","0.1119","0.1508","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228936","7.1348","0.0014","21.308","0.004","8.9704","0.0018","90","","94.6","0.03","90","","1359.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromidobis[1-(2,4,6-trimethylphenyl)-1,4,5,6-tetrahydropyrimidine- κ<i>N</i>^3^]palladium(II)","","- C26 H36 Br2 N4 Pd -","- C26 H36 Br2 N4 Pd -","- C52 H72 Br4 N8 Pd2 -","2","0.5","SU2226","Mao, Pu; Liu, Xiujun; Yang, Liangru; Yuan, Jinwei; Song, Maoping","Dibromidobis[1-(2,4,6-trimethylphenyl)-1,4,5,6-tetrahydropyrimidine-κ<i>N</i>^3^]palladium(II)","Acta Crystallographica Section E","2011","67","1","m62","","10.1107/S1600536810050968","","","0.71073","MoKα","","0.0598","0.0452","","","0.1052","0.1137","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228937","5.3411","0.0005","24.656","0.003","7.3488","0.0007","90","","97.62","0.02","90","","959.22","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(5-Amino-1<i>H</i>-1,2,4-triazol-3-yl)pyridinium chloride monohydrate","","- C7 H10 Cl N5 O -","- C7 H10 Cl N5 O -","- C28 H40 Cl4 N20 O4 -","4","1","AA2001","Chernyshev, Victor M.; Tarasova, Elena V.; Chernysheva, Anna V.; Rybakov, Victor B.","4-(5-Amino-1<i>H</i>-1,2,4-triazol-3-yl)pyridinium chloride monohydrate","Acta Crystallographica Section E","2011","67","2","o466","o467","10.1107/S1600536811002406","","","0.56085","AgKα","","0.0773","0.0422","","","0.0952","0.1085","","","","","","0.926","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228938","5.129","0.005","9.969","0.008","10.586","0.009","117.627","0.007","97.924","0.011","94.322","0.011","469","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-Methyl 3-(3,4-dihydroxyphenyl)acrylate","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","BG2376","Wang, Li; Meng, Fa-Yan; Lin, Cui-Wu; Chen, Hai-Yan; Luo, Xuan","(<i>E</i>)-Methyl 3-(3,4-dihydroxyphenyl)acrylate","Acta Crystallographica Section E","2011","67","2","o354","","10.1107/S1600536810054504","","","0.71073","MoKα","","0.0487","0.0402","","","0.1118","0.1195","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228939","6.7654","0.0014","10.653","0.002","13.422","0.003","90","","91.03","0.03","90","","967.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,7-Dimethyl-2,7-diazoniapyrene bis(hexafluorophosphate)","","- C16 H14 F12 N2 P2 -","- C16 H14 F12 N2 P2 -","- C32 H28 F24 N4 P4 -","2","0.5","BG2385","Ang, Li","2,7-Dimethyl-2,7-diazoniapyrene bis(hexafluorophosphate)","Acta Crystallographica Section E","2011","67","2","o508","","10.1107/S1600536811001978","","","0.71073","MoKα","","0.0685","0.0594","","","0.1742","0.1818","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228940","16.0338","0.0018","15.6376","0.0018","13.588","0.0015","90","","90","","90","","3406.9","0.7","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1,1'-selenobis(<i>N</i>,<i>N</i>-diethylsulfanecarbothioamide)","<i>N</i>,<i>N</i>- diethyl({[(diethylcarbamothioyl)sulfanyl]selanyl}sulfanyl)carbothioamide","","- C10 H20 N2 S4 Se -","- C10 H20 N2 S4 Se -","- C80 H160 N16 S32 Se8 -","8","2","BH2326","Pöllnitz, Alpar; Varga, Richard A.; Silvestru, Anca","A new orthorhombic polymorph of 1,1'-selenobis(<i>N</i>,<i>N</i>-diethylsulfanecarbothioamide)","Acta Crystallographica Section E","2011","67","2","o411","","10.1107/S1600536811000511","","","0.71073","MoKα","","0.0516","0.0381","","","0.0718","0.0756","","","","","","0.941","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228941","8.7344","0.001","13.9712","0.0015","9.4744","0.0011","90","","94.601","0.011","90","","1152.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Dimethyl-5-[(pyridin-2-ylamino)methylidene]-1,3-dioxane-4,6-dione","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","BH2327","Shi, Jian-you; Li, Jin-qi; Tong, Rong-sheng; Lin, He; Lu, Chen","2,2-Dimethyl-5-[(pyridin-2-ylamino)methylidene]-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2011","67","2","o253","","10.1107/S1600536810053250","","","0.7107","MoKα","","0.0633","0.0396","","","0.0831","0.0959","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228942","7.7802","0.0009","16.7299","0.0016","8.4684","0.001","90","","114.409","0.005","90","","1003.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[dibromidobis[μ-1-(pyridin-4-ylmethyl)-1<i>H</i>-1,2,4-triazole- κ^2^<i>N</i>:<i>N</i>']cadmium]","","- C16 H16 Br2 Cd N8 -","- C16 H16 Br2 Cd N8 -","- C32 H32 Br4 Cd2 N16 -","2","0.5","BH2328","Xu, Xiu-Zhi; Li, Zhu-Lai; Yan, Wen-Jin; Chi, Hui-Li","Poly[dibromidobis[μ-1-(pyridin-4-ylmethyl)-1<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>:<i>N</i>']cadmium]","Acta Crystallographica Section E","2011","67","2","m190","","10.1107/S1600536811000535","","","0.71073","MoKα","","0.0265","0.0235","","","0.0672","0.0688","","","","","","0.913","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228943","11.358","0.003","13.428","0.003","10.36","0.002","90","","113.307","0.003","90","","1451.1","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-3-hydroxy-3-(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)indolin-2-one","","- C17 H10 Br N O5 -","- C17 H10 Br N O5 -","- C68 H40 Br4 N4 O20 -","4","1","BH2329","Zhu, Song-Lei","4-Bromo-3-hydroxy-3-(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)indolin-2-one","Acta Crystallographica Section E","2011","67","2","o307","","10.1107/S1600536811000213","","","0.7107","MoKα","","0.0258","0.0243","","","0.0578","0.0587","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228944","5.9118","0.0001","28.5786","0.0003","6.9017","0.0001","90","","109.631","0.002","90","","1098.27","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Biphenyl-4-yloxy)acetic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","BH2330","Wang, En-Ju; Chen, Guang-Ying","2-(Biphenyl-4-yloxy)acetic acid","Acta Crystallographica Section E","2011","67","2","o521","","10.1107/S1600536811002777","","","1.54178","CuKα","","0.0485","0.0465","","","0.1258","0.1386","","","","","","1.121","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228945","7.5652","0.001","29.263","0.003","7.6067","0.001","90","","118.741","0.002","90","","1476.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[hepta-μ~2~-aqua-bis(μ~2~-pyrazine-2-carboxylato)dibarium] bis(pyrazine-2-carboxylate)]","","- C10 H13 Ba N4 O7.5 -","- C10 H13 Ba N4 O7.5 -","- C40 H52 Ba4 N16 O30 -","4","2","BH2331","Shuai, Qi; Ding, Ke-Lian; Hu, Fan; Yu, Ping","Poly[[hepta-μ~2~-aqua-bis(μ~2~-pyrazine-2-carboxylato)dibarium] bis(pyrazine-2-carboxylate)]","Acta Crystallographica Section E","2011","67","2","m283","m284","10.1107/S1600536811003023","","","0.71073","MoKα","","0.0488","0.046","","","0.1186","0.1206","","","","","","1.024","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2228946","9.4239","0.0004","15.7574","0.0006","23.5398","0.0008","90","","90","","90","","3495.6","0.2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","methylbenzoxazole diphenylphosphinate","2-Methyl-1,3-benzoxazol-4-yl diphenylphosphinate","","- C20 H16 N O3 P -","- C20 H16 N O3 P -","- C160 H128 N8 O24 P8 -","8","1","BH2332","Kleinhans, Dewald J.","2-Methyl-1,3-benzoxazol-4-yl diphenylphosphinate","Acta Crystallographica Section E","2011","67","2","o339","","10.1107/S1600536811000420","","","0.71073","MoKα","","0.1003","0.0467","","","0.096","0.1191","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228947","7.287","0.004","7.287","0.004","28.158","0.017","90","","90","","90","","1495.2","1.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(2-nitrophenoxy)propan-2-ol","","- C15 H14 N2 O7 -","- C15 H14 N2 O7 -","- C60 H56 N8 O28 -","4","1","BQ2262","Xiao, Zhi-You; Tang, Wen-Hua; Wang, Shao-Yun","1,3-Bis(2-nitrophenoxy)propan-2-ol","Acta Crystallographica Section E","2011","67","2","o357","","10.1107/S1600536811000250","","","0.71073","MoKα","","0.0716","0.0389","","","0.0913","0.1031","","","","","","0.963","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228948","4.986","0.001","25.108","0.004","7.895","0.002","90","","103.18","0.02","90","","962.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Phenylsuccinamic acid","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","BQ2265","Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut","<i>N</i>-Phenylsuccinamic acid","Acta Crystallographica Section E","2011","67","2","o249","","10.1107/S160053681005364X","","","0.71073","MoKα","","0.1071","0.0534","","","0.1173","0.1351","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228949","11.066","0.002","10.86","0.002","8.697","0.0017","90","","97.85","0.03","90","","1035.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(2-hydroxy-5-nitrophenyl)acetate","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","BQ2266","Guo, Bing; Shi, Ya-Bin; Yao, Jin-Hua; Guan, Jian-Ning","Ethyl 2-(2-hydroxy-5-nitrophenyl)acetate","Acta Crystallographica Section E","2011","67","2","o509","","10.1107/S1600536811000389","","","0.71073","MoKα","","0.0763","0.0566","","","0.1413","0.1534","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228950","4.077","0.0008","10.322","0.002","16.891","0.003","90","","95.95","0.03","90","","707","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Chloro-5-(chloromethyl)pyridine","","- C6 H5 Cl2 N -","- C6 H5 Cl2 N -","- C24 H20 Cl8 N4 -","4","1","BQ2267","Feng, Zhi-Qiang; Yang, Xiao-Li; Ye, Yuan-Feng; Wang, Huai-Qing; Hao, Ling-Yun","2-Chloro-5-(chloromethyl)pyridine","Acta Crystallographica Section E","2011","67","2","o366","","10.1107/S1600536811000821","","","0.71073","MoKα","","0.0492","0.0365","","","0.118","0.1294","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228951","12.278","0.003","9.269","0.0019","19.468","0.004","90","","97.81","0.03","90","","2195","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1-Ethyl-1<i>H</i>-1,3-benzimidazol-2-yl)-<i>N</i>,<i>N</i>-diphenylaniline monohydrate","","- C27 H25 N3 O -","- C27 H25 N3 O -","- C108 H100 N12 O4 -","4","1","BQ2268","Wu, Tao; Wang, Kai; Jiang, Peng; Zhu, Hong-Jun","4-(1-Ethyl-1<i>H</i>-1,3-benzimidazol-2-yl)-<i>N</i>,<i>N</i>-diphenylaniline monohydrate","Acta Crystallographica Section E","2011","67","2","o417","","10.1107/S160053681100119X","","","0.71073","MoKα","","0.1038","0.0567","","","0.1422","0.169","","","","","","1.008","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228952","13.585","0.0005","5.04379","0.00014","21.0272","0.0007","90","","104.427","0.004","90","","1395.35","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[(2-Chloro-4-nitroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C13 H11 Cl N2 O6 -","- C13 H11 Cl N2 O6 -","- C52 H44 Cl4 N8 O24 -","4","1","BQ2269","Lan, Xian-Qiu; Zhang, Xiao-Feng; Yang, Ying-Hong; Luo, You-Fu","5-[(2-Chloro-4-nitroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2011","67","2","o392","","10.1107/S160053681100095X","","","0.7107","MoKα","","0.0609","0.0413","","","0.0919","0.1042","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228953","8.3521","0.0003","15.0986","0.0005","10.9225","0.0005","90","","107.18","0.001","90","","1315.93","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{2-[(2,6-Dichlorophenyl)amino]phenyl}ethanol","","- C14 H13 Cl2 N O -","- C14 H13 Cl2 N O -","- C56 H52 Cl8 N4 O4 -","4","1","BQ2270","Nasirullah; Ul Islam, Nazar; Tahir, M. Nawaz; Khan, Ikhtiar","2-{2-[(2,6-Dichlorophenyl)amino]phenyl}ethanol","Acta Crystallographica Section E","2011","67","2","o273","","10.1107/S1600536810054590","","","0.71073","MoKα","","0.0376","0.0312","","","0.0768","0.0824","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228954","10.2239","0.0002","11.309","0.0003","13.8764","0.0003","90","","93.108","0.001","90","","1602.06","0.06","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Hydroxy-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)-2<i>H</i>,6<i>H</i>-7,8-dihydropyrano[3,2-<i>g</i>]chromene-2,6-dione","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","BQ2271","Fun, Hoong-Kun; Sripisut, Tawanun; Laphookhieo, Surat; Chantrapromma, Suchada","5-Hydroxy-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)-2<i>H</i>,6<i>H</i>-7,8-dihydropyrano[3,2-<i>g</i>]chromene-2,6-dione","Acta Crystallographica Section E","2011","67","2","o422","o423","10.1107/S1600536811001565","","","1.54178","CuKα","","0.0607","0.047","","","0.1265","0.1473","","","","","","1.288","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228955","5.3094","0.0005","8.5309","0.001","27.925","0.003","90","","90","","90","","1264.8","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Methoxyphenyl)benzenesulfonamide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","BQ2272","Ibrahim, Saba; Tahir, M. Nawaz; Iqbal, Nadeem; Shahwar, Durre; Raza, Muhammad Asam","<i>N</i>-(4-Methoxyphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","2","o298","","10.1107/S1600536811000365","","","0.71073","MoKα","","0.1158","0.0608","","","0.1119","0.1308","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228956","10.3146","0.0012","11.1558","0.0013","17.324","0.002","90","","95.616","0.001","90","","1983.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis{[4- (dimethylamino)pyridine-κ<i>N</i>^1^]zinc(II)}","","- C42 H40 N4 O8 Zn2 -","- C42 H40 N4 O8 Zn2 -","- C84 H80 N8 O16 Zn4 -","2","0.5","BQ2273","Yu, Zhe-Yin; Lin, Kun-Hua; Zhang, Fei-Fei; Shao, Min; Li, Ming","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]zinc(II)}","Acta Crystallographica Section E","2011","67","2","m206","","10.1107/S1600536811001188","","","0.71073","MoKα","","0.0423","0.0305","","","0.0607","0.066","","","","","","0.992","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228957","25.3592","0.0009","8.8993","0.0003","14.1286","0.0005","90","","119.974","0.002","90","","2762.07","0.18","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[{bis[tetraaqua(2-hydroxy-3,4-dioxocyclobut-1-en- 1-olato-κ<i>O</i>^1^)bariumstrontium(0.35/0.65)]di-μ-aqua}bis(μ-2- hydroxy-4-oxocyclobut-1-ene-1,3-diolato-κ^2^<i>O</i>^1^:<i>O</i>^3^)] monohydrate]","","- C16 H26 Ba0.71 O27 Sr1.29 -","- C16 H26 Ba0.706 O27 Sr1.294 -","- C64 H104 Ba2.824 O108 Sr5.176 -","4","0.5","BQ2274","Trifa, Chahrazed; Bouhali, Amira; Bouacida, Sofiane; Boudaren, Chaouki; Bataille, Thierry","<i>catena</i>-Poly[[{bis[tetraaqua(2-hydroxy-3,4-dioxocyclobut-1-en-1-olato-κ<i>O</i>^1^)bariumstrontium(0.35/0.65)]di-μ-aqua}bis(μ-2-hydroxy-4-oxocyclobut-1-ene-1,3-diolato-κ^2^<i>O</i>^1^:<i>O</i>^3^)] monohydrate]","Acta Crystallographica Section E","2011","67","2","m275","m276","10.1107/S1600536811002996","","","0.71073","MoKα","","0.0421","0.033","","","0.082","0.0883","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228958","4.9912","0.0002","7.4717","0.0003","17.4152","0.0007","90","","90.653","0.003","90","","649.42","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(hydroxyiminomethyl)phenolato]nickel(II)","","- C14 H12 N2 Ni O4 -","- C14 H12 N2 Ni O4 -","- C28 H24 N4 Ni2 O8 -","2","0.5","BR2156","Rusanova, Julia A.; Buvaylo, Elena A.; Rusanov, Eduard B.","Bis[2-(hydroxyiminomethyl)phenolato]nickel(II): a second monoclinic polymorph","Acta Crystallographica Section E","2011","67","2","m222","m223","10.1107/S1600536811001383","","","0.71073","MoKα","","0.0417","0.0298","","","0.0674","0.0721","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228959","10.2188","0.0005","10.0191","0.0005","24.8192","0.0011","90","","96.115","0.002","90","","2526.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1'-Methyl-3'-(4-methylbenzoyl)-4'-[5-(2-thienyl)-2- thienyl]spiro[acenaphthylene-1,2'-pyrrolidin]-2(1<i>H</i>)-one","","- C32 H25 N O2 S2 -","- C32.001 H25.001 N O2 S2.001 -","- C128.004 H100.004 N4 O8 S8.004 -","4","1","BT5402","Thenmozhi, S.; Govindan, E.; Gavaskar, D.; Raghunathan, R.; SubbiahPandi, A.","1'-Methyl-3'-(4-methylbenzoyl)-4'-[5-(2-thienyl)-2-thienyl]spiro[acenaphthylene-1,2'-pyrrolidin]-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o267","","10.1107/S1600536810053869","","","0.71073","MoKα","","0.059","0.0398","","","0.1081","0.1274","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228960","12.6858","0.0013","13.6733","0.0013","15.2782","0.0017","90","","90","","90","","2650.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3'-(4-Chlorobenzoyl)-1'-methyl-4'-[5-(2-thienyl)-2- thienyl]spiro[acenaphthylene-1,2'-pyrrolidin]-2(1<i>H</i>)-one","","- C31 H22 Cl N O2 S2 -","- C31.001 H22.001 Cl N O2 S2.001 -","- C124.004 H88.004 Cl4 N4 O8 S8.004 -","4","1","BT5403","Thenmozhi, S.; Govindan, E.; Gavaskar, D.; Raghunathan, R.; SubbiahPandi, A.","3'-(4-Chlorobenzoyl)-1'-methyl-4'-[5-(2-thienyl)-2-thienyl]spiro[acenaphthylene-1,2'-pyrrolidin]-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o268","","10.1107/S1600536810053870","","","0.71073","MoKα","","0.0642","0.0445","","","0.0991","0.1134","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228961","20.7258","0.0013","8.3921","0.0005","24.4923","0.0015","90","","90","","90","","4260","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Diethyl 1,1-dioxo-3,5-bis(pyridin-2-yl)-1λ^6^,4-thiomorpholine-2,6-dicarboxylate","","- C20 H23 N3 O6 S -","- C20 H23 N3 O6 S -","- C160 H184 N24 O48 S8 -","8","2","BT5412","Sugumar, P.; Edayadulla, N.; Ramesh, P.; Ramesh, P.; Ponnuswamy, M. N.","Diethyl 1,1-dioxo-3,5-bis(pyridin-2-yl)-1λ^6^,4-thiomorpholine-2,6-dicarboxylate","Acta Crystallographica Section E","2011","67","2","o305","","10.1107/S1600536811000444","","","0.71073","MoKα","","0.0631","0.0415","","","0.1005","0.1128","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228962","19.1192","0.0005","13.0049","0.0003","14.8903","0.0004","90","","128.591","0.001","90","","2893.84","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(2-Methylbenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C17 H15 N O S -","- C17 H15 N O S -","- C136 H120 N8 O8 S8 -","8","1","BT5422","Sridevi, D.; Bhaskaran, Sundari; Usha, G.; Murugan, G.; Bakthadoss, M.","3-(2-Methylbenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o243","","10.1107/S1600536810052888","","","0.71073","MoKα","","0.0595","0.0437","","","0.1684","0.2024","","","","","","0.83","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228963","9.5193","0.0007","13.0996","0.0008","13.6","0.0009","90","","96.704","0.003","90","","1684.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,9-Dioxa-1,3(1,2)-dibenzena-2(4,5)-1,3-oxazolidinacyclononaphane","5-methyl-3,13,18-trioxa-5-azatetracyclo[17.4.0.0^2,6.0^7,12]tricosa- 1(19),7,9,11,20,22-hexaene","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","BT5428","Balakrishnan, B.; Seshadri, P. R.; Purushothaman, S.; Raghunathan, R.","4,9-Dioxa-1,3(1,2)-dibenzena-2(4,5)-1,3-oxazolidinacyclononaphane","Acta Crystallographica Section E","2011","67","2","o469","","10.1107/S1600536810052517","","","0.71073","MoKα","","0.0644","0.0452","","","0.1255","0.1455","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228964","7.5331","0.0015","18.085","0.004","18.578","0.004","90","","100.9","0.03","90","","2485.3","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzene-1,3-diammonium bis(pyridine-2,6-dicarboxylato)nickelate(II) pentahydrate","","- C20 H26 N4 Ni O13 -","- C20 H26 N4 Ni O13 -","- C80 H104 N16 Ni4 O52 -","4","1","BT5430","Pasdar, Hoda; Sadat Kashani, Saghi; Aghabozorg, Hossein; Notash, Behrouz","Benzene-1,3-diammonium bis(pyridine-2,6-dicarboxylato)nickelate(II) pentahydrate","Acta Crystallographica Section E","2011","67","2","m193","m194","10.1107/S1600536810054371","","","0.71073","MoKα","","0.1275","0.0538","","","0.0686","0.0857","","","","","","0.917","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228965","5.986","0.0017","7.405","0.0014","31.589","0.005","90","","90","","90","","1400.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-(+)-Dimethyl[4-oxido-2-oxo-1-(1-phenylethyl)-1,2,5,6- tetrahydropyridin-3-yl]sulfonium","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C60 H76 N4 O8 S4 -","4","1","BT5438","Gordillo, Paola G.; Terán, Joel L.; Juárez, Jorge R.; Mendoza, Angel","(<i>R</i>)-(+)-Dimethyl[4-oxido-2-oxo-1-(1-phenylethyl)-1,2,5,6-tetrahydropyridin-3-yl]sulfonium","Acta Crystallographica Section E","2011","67","2","o239","","10.1107/S1600536810052955","","","0.71073","MoKα","","0.0974","0.0606","","","0.1314","0.1525","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228966","10.449","0.002","11.45","0.002","10.325","0.002","90","","95.93","0.03","90","","1228.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(dimethyl sulfoxide)(μ~4~-pyridine-2,5-dicarboxylato)calcium(II)]","","- C9 H11 Ca N O6 S -","- C9 H11 Ca N O6 S -","- C36 H44 Ca4 N4 O24 S4 -","4","1","BT5441","Pasdar, Hoda; Safari, Zahra; Aghabozorg, Hossein; Notash, Behrouz; Mirzaei, Masoud","Poly[aqua(dimethyl sulfoxide)(μ~4~-pyridine-2,5-dicarboxylato)calcium(II)]","Acta Crystallographica Section E","2011","67","2","m221","","10.1107/S1600536810054334","","","0.71073","MoKα","","0.0593","0.0441","","","0.0916","0.097","","","","","","1.107","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228967","6.857","0.0004","10.2348","0.0005","13.6403","0.001","109.604","0.004","90.424","0.005","105.524","0.004","863.89","0.1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-6-methylpyridinium) <i>trans</i>-diaquabis(pyrazine-2,3-dicarboxylato)cobaltate(II) octahydrate","","- C24 H42 Co N8 O18 -","- C24 H42 Co N8 O18 -","- C24 H42 Co N8 O18 -","1","0.5","BT5444","Eshtiagh-Hosseini, Hossein; Alfi, Nafiseh; Mirzaei, Masoud; Fanwick, Philip E.","Bis(2-amino-6-methylpyridinium) <i>trans</i>-diaquabis(pyrazine-2,3-dicarboxylato)cobaltate(II) octahydrate","Acta Crystallographica Section E","2011","67","2","m266","m267","10.1107/S1600536811001127","","","1.54184","CU-Kα","","0.03","0.03","","","0.087","0.087","","","","","","1.043","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228968","5.9182","0.0001","31.5242","0.0006","6.1193","0.0001","90","","109.144","0.001","90","","1078.52","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>e</i>,<i>e</i><i>trans</i>-Cyclohexane-1,4-carboxylic acid‒hexamethylenetetramine (1/2)","","- C20 H36 N8 O4 -","- C20 H36 N8 O4 -","- C40 H72 N16 O8 -","2","0.5","BT5446","Lemmerer, Andreas","<i>e</i>,<i>e</i>-<i>trans</i>-Cyclohexane-1,4-carboxylic acid‒hexamethylenetetramine (1/2)","Acta Crystallographica Section E","2011","67","2","o248","","10.1107/S1600536810053626","","","0.71073","MoKα","","","0.0395","","","","0.1127","","","","","","0.893","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228969","6.65","0.005","9.959","0.007","14.475","0.011","90","","92.921","0.009","90","","957.4","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Dichloro-1-(4-methylphenyl)ethanone","","- C9 H8 Cl2 O -","- C9 H8 Cl2 O -","- C36 H32 Cl8 O4 -","4","1","BT5447","Wang, Ping-An; Gao, Jun-Ping; Liu, Peng","2,2-Dichloro-1-(4-methylphenyl)ethanone","Acta Crystallographica Section E","2011","67","2","o337","","10.1107/S1600536811000134","","","0.71073","MoKα","","0.1142","0.0537","","","0.1245","0.1554","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228970","16.6409","0.0006","23.2581","0.0009","14.5045","0.0006","90","","90","","90","","5613.8","0.4","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) carbonate","","- C21 H22 O5 -","- C21 H22 O5 -","- C252 H264 O60 -","12","3","BT5448","Yang, Lin-Tao; Luo, Xian-Fu; Hu, Ai-Xi; Wang, Yu","Bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) carbonate","Acta Crystallographica Section E","2011","67","2","o338","","10.1107/S1600536811000341","","","0.71073","MoKα","","0.0638","0.0416","","","0.0966","0.1093","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228971","24.034","0.005","14.231","0.003","7.978","0.0016","90","","107.01","0.03","90","","2609.3","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-amino-4-methylpyridinium) bis(pyridine-2,6-dicarboxylato)cuprate(II)","","- C26 H24 Cu N6 O8 -","- C26 H24 Cu N6 O8 -","- C104 H96 Cu4 N24 O32 -","4","0.5","BT5449","Aghabozorg, Hossein; Mofidi Rouchi, Azadeh; Notash, Behrouz; Mirzaei, Masoud","Bis(2-amino-4-methylpyridinium) bis(pyridine-2,6-dicarboxylato)cuprate(II)","Acta Crystallographica Section E","2011","67","2","m189","","10.1107/S1600536811001139","","","0.71073","MoKα","","0.0809","0.0569","","","0.1083","0.1185","","","","","","1.151","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228972","9.0791","0.0014","14.035","0.002","17.165","0.002","90","","90","","90","","2187.3","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato- κ^2^<i>O</i>,<i>O</i>)copper(II)","","- C6 H7 Br Cu N2 O7 -","- C6 H7 Br Cu N2 O7 -","- C48 H56 Br8 Cu8 N16 O56 -","8","1","BT5450","Silva, Joana A.; Pereira Magalhães, Ana; Ramos Silva, Manuela; Sobral, Abílio J. F. N.; Pereira, Laura C. J.","Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","2","m160","","10.1107/S160053681100064X","","","0.71073","MoKα","","0.0998","0.0377","","","0.0858","0.137","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228973","7.2111","0.0007","12.5766","0.0007","16.2362","0.0004","105.556","0.002","96.367","0.006","96.223","0.007","1395.04","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Enrofloxacinium picrate","4-(3-carboxy-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-ethylpiperazin-1-ium 2,4,6-trinitrophenolate","","- C25 H25 F N6 O10 -","- C25 H25 F N6 O10 -","- C50 H50 F2 N12 O20 -","2","1","BT5451","Jasinski, Jerry P.; Butcher, Ray J.; Siddegowda, M. S.; Yathirajan, H. S.; Siddaraju, B. P.","Enrofloxacinium picrate","Acta Crystallographica Section E","2011","67","2","o432","o433","10.1107/S160053681100170X","","","1.54178","CuKα","","0.0817","0.0553","","","0.1568","0.1774","","","","","","0.996","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228974","8.2617","0.0003","10.3028","0.0004","9.9289","0.0003","90","","119.845","0.002","90","","733.05","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(pyrimidin-2-ylsulfanyl)acetic acid","","- C6 H6 N2 O2 S -","- C6 H6 N2 O2 S -","- C24 H24 N8 O8 S4 -","4","1","BT5454","Ramos Silva, Manuela; Pereira Silva, Pedro S.; Yuste, Consuelo; Paixão, José A.","Monoclinic polymorph of 2-(pyrimidin-2-ylsulfanyl)acetic acid","Acta Crystallographica Section E","2011","67","2","o340","","10.1107/S1600536811000651","","","0.71073","MoKα","","0.061","0.0544","","","0.1289","0.1326","","","","","","1.166","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228975","8.9444","0.0016","14.135","0.003","19.112","0.003","90","","90","","90","","2416.3","0.8","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anthriscifolcine A","","- C26 H39 N O7 -","- C26 H39 N O7 -","- C104 H156 N4 O28 -","4","1","BT5455","Song, Zhi-Jun; Chen, Wei-Quan; Du, Xiao-Ying; Yuan, Yun-Fei; Xu, Han-Hong","Anthriscifolcine A, a C18-diterpenoid alkaloid","Acta Crystallographica Section E","2011","67","2","o395","","10.1107/S1600536811001346","","","0.71073","MoKα","","0.0359","0.0342","","","0.0793","0.0803","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228976","15.1445","0.0013","11.4337","0.001","8.4764","0.0007","90","","92.344","0.004","90","","1466.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-chloro-6-methyl-<i>N</i>-(4-methylphenyl)quinolin-2-amine","","- C17 H15 Cl N2 -","- C17 H15 Cl N2 -","- C68 H60 Cl4 N8 -","4","1","BT5456","Vennila, K. N.; Prabha, K.; Manoj, M.; Prasad, K. J. Rajendra; Velmurugan, D.","4-Chloro-6-methyl-<i>N</i>-(4-methylphenyl)quinolin-2-amine","Acta Crystallographica Section E","2011","67","2","o490","","10.1107/S1600536811002327","","","0.71073","MoKα","","0.0699","0.0444","","","0.1104","0.1251","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228977","7.8676","0.0004","8.9748","0.0004","14.1353","0.0007","83.09","0.004","74.363","0.004","69.776","0.004","901.49","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-<i>N</i>-[5-Bromo-2-(4-methylanilino)-3<i>H</i>-indol-3- ylidene]-4-methylaniline oxide","","- C22 H18 Br N3 O -","- C22 H18 Br N3 O -","- C44 H36 Br2 N6 O2 -","2","1","BT5458","Asgri, Davood; Ghanbari, Mohammad; Mehrdad, Morteza; Jadidi, Khosrow; Khavasi, Hamid Reza","(<i>Z</i>)-<i>N</i>-[5-Bromo-2-(4-methylanilino)-3<i>H</i>-indol-3-ylidene]-4-methylaniline oxide","Acta Crystallographica Section E","2011","67","2","o350","","10.1107/S1600536811000833","","","0.71073","MoKα","","0.0518","0.0451","","","","0.1186","","","","","","1.096","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228978","15.0008","0.0003","10.522","0.0002","15.8359","0.0003","90","","107.452","0.002","90","","2384.46","0.08","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Di-<i>n</i>-butylbis(thiocyanato-κ<i>N</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')tin(IV)","","- C22 H26 N4 S2 Sn -","- C22 H26 N4 S2 Sn -","- C88 H104 N16 S8 Sn4 -","4","1","BT5460","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Di-<i>n</i>-butylbis(thiocyanato-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tin(IV)","Acta Crystallographica Section E","2011","67","2","m210","","10.1107/S1600536811001292","","","0.71073","MoKα","","0.0367","0.0289","","","0.064","0.0703","","","","","","1.017","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228979","9.3269","0.0003","10.5017","0.0003","13.1503","0.0004","66.814","0.003","87.665","0.003","83.552","0.002","1176.52","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl(4'-pyridyl-2,2':6',2''-terpyridine- κ^3^<i>N</i>^1^,<i>N</i>^1'^,<i>N</i>^1''^)bis(thiocyanato-κ<i>N</i>)tin(IV)","","- C24 H20 N6 S2 Sn -","- C24 H20 N6 S2 Sn -","- C48 H40 N12 S4 Sn2 -","2","1","BT5461","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Dimethyl(4'-pyridyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>^1^,<i>N</i>^1'^,<i>N</i>^1''^)bis(thiocyanato-κ<i>N</i>)tin(IV)","Acta Crystallographica Section E","2011","67","2","m211","","10.1107/S1600536811001309","","","0.71073","MoKα","","0.0278","0.0238","","","0.0552","0.0595","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228980","17.1918","0.0002","8.1907","0.0002","18.3045","0.0003","90","","98.042","0.001","90","","2552.16","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4,7-Diphenyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N'</i>)dimethylbis(thiocyanato-κ<i>N</i>)tin(IV)","","- C28 H22 N4 S2 Sn -","- C28 H22 N4 S2 Sn -","- C112 H88 N16 S8 Sn4 -","4","1","BT5462","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","(4,7-Diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dimethylbis(thiocyanato-κ<i>N</i>)tin(IV)","Acta Crystallographica Section E","2011","67","2","m244","","10.1107/S1600536811001735","","","0.71073","MoKα","","0.0447","0.0336","","","0.0752","0.0835","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228981","28.923","0.002","9.3615","0.0005","15.0531","0.0012","90","","101.319","0.006","90","","3996.5","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dimethyl 2-(1-benzyl-2-oxoindolin-3-ylidene)-1,3-dithiole-4,5-dicarboxylate","","- C22 H17 N O5 S2 -","- C22 H17 N O5 S2 -","- C176 H136 N8 O40 S16 -","8","1","BT5465","Bazgir, Ayoob","Dimethyl 2-(1-benzyl-2-oxoindolin-3-ylidene)-1,3-dithiole-4,5-dicarboxylate","Acta Crystallographica Section E","2011","67","2","o482","","10.1107/S1600536811002613","","","0.71073","MoKα","","0.0658","0.0471","","","","0.1126","","","","","","1.068","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228982","6.8831","0.0014","7.5218","0.0015","11.719","0.002","102.95","0.03","91.86","0.03","111.12","0.03","547.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)copper(II) dimethyl sulfoxide disolvate","","- C18 H20 Cu N2 O10 S2 -","- C18 H20 Cu N2 O10 S2 -","- C18 H20 Cu N2 O10 S2 -","1","0.5","BT5466","Aghabozorg, Hossein; Goodarzi, Saba; Mirzaei, Masoud; Notash, Behrouz","Bis(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)copper(II) dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2011","67","2","m290","","10.1107/S1600536811003424","","","0.71073","MoKα","","0.0528","0.0397","","","0.0864","0.0915","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228983","16.8882","0.0008","11.0957","0.0004","18.094","0.0008","90","","90.251","0.004","90","","3390.5","0.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","bis(μ~2~-pyridine-2,6-dicarboxylato)- κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^; κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)]","","- C30 H46 N2 O10 Sn2 -","- C30 H46 N2 O10 Sn2 -","- C120 H184 N8 O40 Sn8 -","4","1","BT5468","Ng, Seik Weng","Monoclinic modification of bis(μ~2~-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)]","Acta Crystallographica Section E","2011","67","2","m277","","10.1107/S1600536811002935","","","0.71073","MoKα","","0.0716","0.0377","","","0.1003","0.1258","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228984","7.3419","0.0001","8.4004","0.0001","23.8008","0.0004","90","","93.722","0.001","90","","1464.82","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-quinoline-2-carboxylato)-κ^3^<i>N</i>,<i>O</i>^1^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>N</i>,<i>O</i>^1^-bis[(acetato-κ<i>O</i>)(ethanol- κ<i>O</i>)lead(II)]","","- C28 H30 N2 O10 Pb2 -","- C28 H30 N2 O10 Pb2 -","- C56 H60 N4 O20 Pb4 -","2","0.5","BT5469","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Bis(μ~2~-quinoline-2-carboxylato)-κ^3^<i>N</i>,<i>O</i>^1^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>N</i>,<i>O</i>^1^-bis[(acetato-κ<i>O</i>)(ethanol-κ<i>O</i>)lead(II)]","Acta Crystallographica Section E","2011","67","2","m264","","10.1107/S1600536811002509","","","0.71073","MoKα","","0.0336","0.0294","","","0.0699","0.0732","","","","","","1.081","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228985","7.8547","0.001","14.6893","0.0019","16.59","0.002","73.402","0.008","85.738","0.007","79.23","0.007","1801.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","MethanolBis{2-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato- κ^2^<i>O</i>^1^,<i>O</i>^2^}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')samarium(III)","","- C31 H34 N5 O14 Sm -","- C31 H34 N5 O14 Sm -","- C62 H68 N10 O28 Sm2 -","2","1","BV2165","Guo, Hang-Ming","Bis{2-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')methanolsamarium(III)","Acta Crystallographica Section E","2011","67","2","m184","m185","10.1107/S1600536811000407","","","0.71073","MoKα","","0.0514","0.0431","","","0.1184","0.1226","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228986","9.762","0.007","11.737","0.009","10.129","0.008","90","","92.628","0.009","90","","1159.3","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[2-(Pyrazin-2-ylsulfanyl)ethyl]pyrazine-2(1<i>H</i>)-thione","","- C10 H10 N4 S2 -","- C10 H10 N4 S2 -","- C40 H40 N16 S8 -","4","1","BV2167","Zhao, Xi-Zai; Jia, Jing-Jing; Ou-Yang, Miao; Huang, Fu-Ping; Jiang, Yi-Min","1-[2-(Pyrazin-2-ylsulfanyl)ethyl]pyrazine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","2","o418","","10.1107/S1600536811001474","","","0.71073","MoKα","","0.0372","0.032","","","0.0816","0.085","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228987","10.2969","0.0005","10.8849","0.0005","13.6144","0.0007","90","","91.436","0.005","90","","1525.43","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Chloro-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalene-2-carbaldehyde","","- C17 H11 Cl3 O -","- C17 H11 Cl3 O -","- C68 H44 Cl12 O4 -","4","1","BV2168","Devarajegowda, H. C.; Nagendra, P.; Jeyaseelan, S.; Chidananda, N.; Poojary, Boja","1-Chloro-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalene-2-carbaldehyde","Acta Crystallographica Section E","2011","67","2","o378","","10.1107/S160053681100105X","","","0.71073","MoKα","","0.0707","0.0502","","","0.1416","0.1494","","","","","","1.091","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228988","12.065","0.003","15.964","0.004","8.251","0.002","90","","104.82","0.005","90","","1536.3","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Dibenzyl-2,2'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzamide","","- C34 H36 N2 O6 -","- C34 H36 N2 O6 -","- C68 H72 N4 O12 -","2","0.5","BV2169","Wen, Yong-Hong; Dai, Ji-Min","<i>N</i>,<i>N</i>'-Dibenzyl-2,2'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzamide","Acta Crystallographica Section E","2011","67","2","o455","","10.1107/S1600536811002212","","","0.71073","MoKα","","0.1235","0.0479","","","0.1115","0.1489","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228989","23.6897","0.0005","23.6897","0.0005","14.9876","0.0007","90","","90","","90","","8411.1","0.5","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","<i>cyclo</i>-tetrakis(μ-5,10,15,20-tetra-4-pyridylporphyrinato)tetrazinc(II) dimethylformamide octasolvate","","- C184 H158 N40 O11 Zn4 -","- C160 H96 N32 Zn4 -","- C320 H192 N64 Zn8 -","2","0.25","BV2170","Seidel, Rüdiger W.; Graf, Jürgen; Goddard, Richard; Oppel, Iris M.","Redetermination of <i>cyclo</i>-tetrakis(μ-5,10,15,20-tetra-4-pyridylporphyrinato)tetrazinc(II) dimethylformamide octasolvate trihydrate at 100K","Acta Crystallographica Section E","2011","67","2","m236","m237","10.1107/S1600536811002054","","","1.54178","CuKα","","0.047","0.0416","","","0.1046","0.1075","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228990","12.5265","0.0014","13.2725","0.0016","14.022","0.0017","90.08","0.002","112.534","0.002","103.483","0.003","2083.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrinato- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''](trifluoromethanesulfonato- κ<i>O</i>)iron(III)","","- C49 H36 F3 Fe N4 O7 S -","- C49 H36 F3 Fe N4 O7 S -","- C98 H72 F6 Fe2 N8 O14 S2 -","2","1","BV2171","Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.","[5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''](trifluoromethanesulfonato-κ<i>O</i>)iron(III)","Acta Crystallographica Section E","2011","67","2","m268","","10.1107/S1600536811001395","","","0.71073","MoKα","","0.0681","0.0545","","","0.1468","0.1554","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228991","7.7934","0.0004","11.2813","0.0003","11.8818","0.0002","77.771","0.004","80.948","0.005","71.052","0.004","961.18","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1-(4-Methoxyphenyl)-4-(3-nitrophenyl)-3-phenoxyazetidin-2-one","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C44 H36 N4 O10 -","2","1","BV2175","Baktır, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghaye","1-(4-Methoxyphenyl)-4-(3-nitrophenyl)-3-phenoxyazetidin-2-one","Acta Crystallographica Section E","2011","67","2","o537","o538","10.1107/S1600536811003382","","","0.71073","MoKα","","0.1328","0.059","","","0.1155","0.1546","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228992","11.6411","0.0015","11.6411","0.0015","20.105","0.003","90","","90","","90","","2724.5","0.6","298","2","293","2","","","","","","","","5","I -4","I -4","82","","Bis(cyclohexylammonium) 2,2'-disulfanediyldibenzoate","","- C26 H36 N2 O4 S2 -","- C26 H36 N2 O4 S2 -","- C104 H144 N8 O16 S8 -","4","0.5","BX2336","Wei, Xinting; Li, Jing; Yin, Handong","Bis(cyclohexylammonium) 2,2'-disulfanediyldibenzoate","Acta Crystallographica Section E","2011","67","2","o319","","10.1107/S1600536810054012","","","0.71073","MoKα","","0.1027","0.0447","","","0.096","0.124","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228993","10.4519","0.0004","20.6778","0.0008","7.8508","0.0003","90","","91.535","0.002","90","","1696.12","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(4-fluorophenyl)-1-methyl-1,2,3,3a,4,9b- hexahydrochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate","","- C20 H20 F N O3 -","- C20 H20 F N O3 -","- C80 H80 F4 N4 O12 -","4","1","BX2338","Chitra Devi, G.; Bhaskaran, Sundari; Usha, G.; Murugan, G.; Bakthadoss, M.","Methyl 3-(4-fluorophenyl)-1-methyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate","Acta Crystallographica Section E","2011","67","2","o349","","10.1107/S1600536810054036","","","0.71073","MoKα","","0.0743","0.0447","","","0.169","0.2189","","","","","","0.806","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228994","7.4354","0.0015","8.4232","0.0017","9.5817","0.0019","94.06","0.03","90.71","0.03","110.67","0.03","559.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","5-(Pyridinium-3-yl)tetrazol-1-ide hexaaquamagnesium dichloride","","- C12 H22 Cl2 Mg N10 O6 -","- C12 H22 Cl2 Mg N10 O6 -","- C12 H22 Cl2 Mg N10 O6 -","1","0.5","BX2339","Dai, Jing; Chen, Xin-Yuan","5-(Pyridinium-3-yl)tetrazol-1-ide hexaaquamagnesium dichloride","Acta Crystallographica Section E","2011","67","2","m171","","10.1107/S160053681005419X","","","0.71073","MoKα","","0.0533","0.0405","","","0.0946","0.1007","","","","","","1.094","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228995","11.8724","0.0003","7.1308","0.0001","20.0592","0.0004","90","","90","","90","","1698.21","0.06","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sr(C8 H6 O5)","Poly[μ-aqua-μ~4~-terephthalato-strontium]","","- C8 H6 O5 Sr -","- C8 H6 O5 Sr -","- C64 H48 O40 Sr8 -","8","1","BX2340","Yang, Lei; Zhao, Dan; Li, Guanghua","Poly[μ-aqua-μ~4~-terephthalato-strontium]","Acta Crystallographica Section E","2011","67","2","m282","","10.1107/S1600536810054486","","","0.71073","MoKα","","0.0421","0.027","","","0.0572","0.0621","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228996","10.0228","0.0014","10.9676","0.0016","19.732","0.003","89.88","0.002","88.696","0.002","85.435","0.001","2161.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","{1-[(2-Oxidonaphthalen-1-yl)methylidene]thiosemicarbazidato- κ^3^<i>N</i>^1^,<i>O</i>,<i>S</i>}diphenyltin(IV)","","- C24 H19 N3 O S Sn -","- C24 H19 N3 O S Sn -","- C96 H76 N12 O4 S4 Sn4 -","4","2","CV5008","Cui, Jichun; Ruan, Hong; Qiao, Yanling; Yin, Handong","{1-[(2-Oxidonaphthalen-1-yl)methylidene]thiosemicarbazidato-κ^3^<i>N</i>^1^,<i>O</i>,<i>S</i>}diphenyltin(IV)","Acta Crystallographica Section E","2011","67","2","m145","","10.1107/S1600536810054024","","","0.71073","MoKα","","0.0702","0.0459","","","0.1142","0.1332","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228997","28.835","0.004","5.4057","0.0008","10.6425","0.0016","90","","98.126","0.002","90","","1642.2","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacobalt(II)]-μ-4,4'-[1,4- phenylenebis(oxy)]dibutanoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","","- C14 H20 Co O8 -","- C14 H20 Co O8 -","- C56 H80 Co4 O32 -","4","0.5","CV5012","Zhao, Ying-Ying","<i>catena</i>-Poly[[diaquacobalt(II)]-μ-4,4'-[1,4-phenylenebis(oxy)]dibutanoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2011","67","2","m138","","10.1107/S1600536810053742","","","0.71073","MoKα","","0.0311","0.0281","","","0.0771","0.0797","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228998","7.6628","0.0019","10.516","0.003","29.855","0.008","90","","90","","90","","2405.8","1.1","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(22<i>E</i>,24<i>R</i>)-3α,5-Cyclo-5α-ergosta-22-en-6-one","","- C28 H44 O -","- C28 H44 O -","- C112 H176 O4 -","4","1","CV5014","Sheng, Liu-qing; Zeng, Fang; Chen, Fei; Xia, Chun-nian","(22<i>E</i>,24<i>R</i>)-3α,5-Cyclo-5α-ergosta-22-en-6-one","Acta Crystallographica Section E","2011","67","2","o244","","10.1107/S1600536810052906","","","0.71073","MoKα","","0.0402","0.0375","","","0.0846","0.0864","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228999","7.3526","0.0001","7.4702","0.0001","30.65","0.0003","88.27","","87.79","","89.13","","1681.28","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}- 1<i>H</i>-benzimidazole monohydrate","","- C16 H16 F3 N3 O2 S -","- C16 H16 F3 N3 O2 S -","- C64 H64 F12 N12 O8 S4 -","4","2","CV5015","Ren, Guo-Bin; Hong, Ming-Huang; Zhong, Jia-Liang; Yi, Dong-Xu; Xu, Le-Hui","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}-1<i>H</i>-benzimidazole monohydrate","Acta Crystallographica Section E","2011","67","2","o270","","10.1107/S1600536810053730","","","1.54178","CuKα","","0.0414","0.0406","","","0.1159","0.1166","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229000","7.232","0.0007","8.2701","0.0009","11.2801","0.0012","86.98","0.002","81.97","0.002","65.87","0.001","609.66","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[3-(methoxycarbonyl)anilinium] hexachloridostannate(IV)","","- C16 H20 Cl6 N2 O4 Sn -","- C16 H20 Cl6 N2 O4 Sn -","- C16 H20 Cl6 N2 O4 Sn -","1","0.5","CV5016","Xue, Rui-Ting; Song, Xian-Wang; Chen, Shou-Gang; Yin, Yan-Sheng","Bis[3-(methoxycarbonyl)anilinium] hexachloridostannate(IV)","Acta Crystallographica Section E","2011","67","2","m188","","10.1107/S1600536810054310","","","0.71073","MoKα","","0.0627","0.0568","","","0.1481","0.1563","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229001","26.434","0.005","6.019","0.0012","26.17","0.005","90","","105.69","0.03","90","","4008.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaqua[3,5-bis(4-pyridyl)-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^3^](pyridine- 2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)","","- C19 H16 N6 Ni O6 -","- C19 H16 N6 Ni O6 -","- C152 H128 N48 Ni8 O48 -","8","1","CV5017","Cheng, Feng-Jie; Wang, Yi-Sen; Liu, Yan-Cheng","Diaqua[3,5-bis(4-pyridyl)-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^3^](pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II)","Acta Crystallographica Section E","2011","67","2","m137","","10.1107/S1600536810053687","","","0.71073","MoKα","","0.0946","0.0625","","","0.0956","0.1043","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229002","19.8191","0.0016","6.2487","0.0005","33.947","0.003","90","","90","","90","","4204.1","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-2-thienylmethylidene]-2-naphthohydrazide","","- C16 H12 N2 O2 S -","- C16 H12 N2 O2 S -","- C192 H144 N24 O24 S12 -","12","3","CV5019","Wu, Qingkun; Yin, Handong; Wang, Daqi","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-2-thienylmethylidene]-2-naphthohydrazide","Acta Crystallographica Section E","2011","67","2","o277","","10.1107/S160053681005405X","","","0.71073","MoKα","","0.1356","0.055","","","0.0663","0.0776","","","","","","0.971","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229003","7.8192","0.0016","20.248","0.004","15.36","0.003","90","","94.69","0.03","90","","2423.7","0.8","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Benzoyl-1-phenylethyl)-4-[(2-hydroxy-1-naphthyl)methylideneamino]-3- methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C29 H24 N4 O2 S -","- C29 H24 N4 O2 S -","- C116 H96 N16 O8 S4 -","4","1","CV5020","Wang, Wei; Gao, Yan; Xiao, Zuo-bing; Yao, Hong-guo; Zhang, Jing-jing","1-(2-Benzoyl-1-phenylethyl)-4-[(2-hydroxy-1-naphthyl)methylideneamino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","2","o269","","10.1107/S1600536810052979","","","0.71073","MoKα","","0.0732","0.0542","","","0.1217","0.1274","","","","","","0.962","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229004","6.3981","0.0004","10.3944","0.0007","12.5345","0.0008","67.028","0.006","84.863","0.006","72.647","0.006","732.22","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-[2-(1<i>H</i>-Imidazol-1-yl)-2-adamantyl]phenol","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","CV5021","Osyanin, Vitalij A.; Popova, Yulia V.; Rybakov, Victor B.; Klimochkin, Yurij N.","2-[2-(1<i>H</i>-Imidazol-1-yl)-2-adamantyl]phenol","Acta Crystallographica Section E","2011","67","2","o396","","10.1107/S1600536810053900","","","1.5418","CuKα","","0.0438","0.0386","","","0.1009","0.1058","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229005","9.4625","0.0019","11.34","0.002","11.655","0.002","111.8","0.03","111.01","0.03","98.91","0.03","1022.4","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-1-(2-benzoyl-1-phenylethyl)-3-phenyl-1<i>H</i>-1,2,4-triazol- 5(4<i>H</i>)-thione","","- C23 H20 N4 O S -","- C23 H20 N4 O S -","- C46 H40 N8 O2 S2 -","2","1","CV5022","Song, Xiao-qiu; Ye, Lin; Wang, He-wen","4-Amino-1-(2-benzoyl-1-phenylethyl)-3-phenyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","2","o347","","10.1107/S1600536810054553","","","0.71073","MoKα","","0.0473","0.0366","","","0.1015","0.1207","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229006","5.669","0.0011","10.13","0.002","12.16","0.002","100.68","0.03","90.73","0.03","91.2","0.03","686","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Fluorobenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione","","- C16 H15 F O4 -","- C16 H15 F O4 -","- C32 H30 F2 O8 -","2","1","CV5023","Zeng, Wu-Lan","3-(4-Fluorobenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione","Acta Crystallographica Section E","2011","67","2","o276","","10.1107/S1600536810054395","","","0.71073","MoKα","","0.0489","0.0397","","","0.1122","0.1267","","","","","","1.112","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229007","9.9615","0.0011","7.6586","0.0008","11.3461","0.0014","90","","98.979","0.001","90","","855","0.17","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1<i>S</i>,4<i>S</i>)-2-(2,4-Difluorophenyl)-5-[(4-methylphenyl)sulfonyl]- 2,5-diazabicyclo[2.2.1]heptane","","- C18 H18 F2 N2 O2 S -","- C18 H18 F2 N2 O2 S -","- C36 H36 F4 N4 O4 S2 -","2","1","CV5024","Wu, Chunli; Zhang, Jingyu; Li, Pan; Zhang, Junxia; Wu, Jizhou","(1<i>S</i>,4<i>S</i>)-2-(2,4-Difluorophenyl)-5-[(4-methylphenyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane","Acta Crystallographica Section E","2011","67","2","o272","","10.1107/S1600536810054541","","","0.71073","MoKα","","0.0713","0.0448","","","0.0897","0.103","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229008","5.083","0.003","27.336","0.013","5.22","0.003","90","","91.977","0.012","90","","724.9","0.7","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Cyclohexyl-2-(5-methoxy-1<i>H</i>-indol-3-yl)-2-oxoacetamide","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","CV5025","Liu, Jing; Liu, Yong-Feng; Zhang, Shi; Gao, Ying; Chen, Hong","<i>N</i>-Cyclohexyl-2-(5-methoxy-1<i>H</i>-indol-3-yl)-2-oxoacetamide","Acta Crystallographica Section E","2011","67","2","o288","","10.1107/S1600536810054656","","","0.71073","MoKα","","0.0416","0.0345","","","0.0723","0.0755","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229009","9.812","0.003","7.578","0.002","16.13","0.005","90","","92.832","0.004","90","","1197.9","0.6","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(22<i>E</i>,24<i>R</i>)-5α-Ergosta-2,22-dien-6-one","","- C28 H44 O -","- C28 H44 O -","- C56 H88 O2 -","2","1","CV5027","Sheng, Liu-qing; Zeng, Fang; Chen, Fei; Xia, Chun-nian","(22<i>E</i>,24<i>R</i>)-5α-Ergosta-2,22-dien-6-one","Acta Crystallographica Section E","2011","67","2","o507","","10.1107/S1600536811002388","","","0.71073","MoKα","","0.0478","0.0416","","","0.0866","0.0913","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229010","15.1987","0.0002","10.0913","0.00017","25.0724","0.0003","90","","95.917","0.0014","90","","3824.98","0.09","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cinnarizinium dipicrate","1-diphenylmethyl-4-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium bis(2,4,6-trinitrophenolate)","","- C38 H34 N8 O14 -","- C38 H34 N8 O14 -","- C152 H136 N32 O56 -","4","1","CV5030","Jasinski, Jerry P.; Butcher, Ray J.; Siddegowda, M. S.; Yathirajan, H. S.; Chidan Kumar, C. S.","Cinnarizinium dipicrate","Acta Crystallographica Section E","2011","67","2","o500","o501","10.1107/S1600536811002674","","","1.54178","CuKα","","0.1055","0.0924","","","0.2707","0.2891","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229011","4.1443","0.0011","6.6561","0.0019","15.706","0.004","90","","101.023","0.007","90","","425.3","0.2","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(Imidazol-1-yl)benzoic acid","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C20 H16 N4 O4 -","2","1","CV5031","Zheng, Zheng; Geng, Wen-Qian; Wu, Zhi-Chao; Zhou, Hong-Ping","4-(Imidazol-1-yl)benzoic acid","Acta Crystallographica Section E","2011","67","2","o524","","10.1107/S1600536811003345","","","0.71073","MoKα","","0.0538","0.0395","","","0.0923","0.104","","","","","","0.712","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229012","7.158","0.002","30.886","0.003","7.3733","0.0012","90","","108.924","0.002","90","","1542","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloro-<i>N</i>'-[(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","","- C18 H13 Cl N2 O2 -","- C18 H13 Cl N2 O2 -","- C72 H52 Cl4 N8 O8 -","4","1","CV5033","Li, Tian-Yi; Li, Wei","3-Chloro-<i>N</i>'-[(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","2","o373","","10.1107/S1600536811000912","","","0.71073","MoKα","","0.1672","0.0821","","","0.1303","0.1611","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229013","12.181","0.002","16.953","0.004","8.5482","0.0015","90","","109.446","0.002","90","","1664.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-<i>N</i>'-[(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide","","- C19 H15 Cl N2 O2 -","- C19 H15 Cl N2 O2 -","- C76 H60 Cl4 N8 O8 -","4","1","CV5034","Li, Tian-Yi; Ge, Yan-Xia","3-Chloro-<i>N</i>'-[(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","2","o374","","10.1107/S1600536811000924","","","0.71073","MoKα","","0.1502","0.0597","","","0.1151","0.1468","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229014","10.985","0.003","7.079","0.002","9.698","0.002","90","","90","","90","","754.1","0.3","120","1","120","1","","","","","","","","4","P n a 21","P 2c -2n","33","","propane-1,2-diaminium dichloride","","- C3 H12 Cl2 N2 -","- C3 H12 Cl2 N2 -","- C12 H48 Cl8 N8 -","4","1","CV5036","Pospieszna-Markiewicz, Izabela; Zielaskiewicz, Ewa; Radecka-Paryzek, Wanda; Kubicki, Maciej","Disordered structure of propane-1,2-diaminium dichloride","Acta Crystallographica Section E","2011","67","2","o371","o372","10.1107/S1600536811001036","","","1.54178","CuKα","","0.0345","0.0338","","","0.098","0.0984","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229015","13.5307","0.0012","9.7992","0.0009","24.114","0.002","90","","90","","90","","3197.3","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2-{[2-(isopropylazaniumyl)ethyl]iminomethyl}-6-methoxyphenolato)copper(II) bis(thiocyanate)","","- C28 H40 Cu N6 O4 S2 -","- C28 H40 Cu N6 O4 S2 -","- C112 H160 Cu4 N24 O16 S8 -","4","0.5","CV5037","Yuan, Lin","Bis(2-{[2-(isopropylazaniumyl)ethyl]iminomethyl}-6-methoxyphenolato)copper(II) bis(thiocyanate)","Acta Crystallographica Section E","2011","67","2","m201","","10.1107/S1600536811001322","","","0.71073","MoKα","","0.1091","0.078","","","0.1322","0.1431","","","","","","1.152","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229016","3.7342","0.0018","16.354","0.008","16.634","0.008","90","","97.019","0.01","90","","1008.2","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Carboxy-5-carboxylato-1<i>H</i>-imidazol-2-yl)pyridin-1-ium monohydrate","","- C10 H9 N3 O5 -","- C10 H9 N3 O5 -","- C40 H36 N12 O20 -","4","1","CV5038","Liu, Guang-Jun; Zhao, Guang-Wang; Li, Li; Gao, Hong-Tao","3-(4-Carboxy-5-carboxylato-1<i>H</i>-imidazol-2-yl)pyridin-1-ium monohydrate","Acta Crystallographica Section E","2011","67","2","o488","","10.1107/S1600536811002248","","","0.71073","MoKα","","0.0595","0.0417","","","0.1096","0.1185","","","","","","1.144","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229017","18.057","0.002","18.792","0.002","30.07","0.004","90","","90","","90","","10204","2","298","2","298","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","Bis[2-(cyclopentyliminomethyl)-4-nitrophenolato- κ^2^<i>N</i>^2^,<i>O</i>]cobalt(II)","","- C24 H26 Co N4 O6 -","- C24 H26 Co N4 O6 -","- C384 H416 Co16 N64 O96 -","16","0.5","CV5039","Xu, Mai; Wei, Yi-Jun; Wang, Feng-Wu","Bis[2-(cyclopentyliminomethyl)-4-nitrophenolato-κ^2^<i>N</i>^2^,<i>O</i>]cobalt(II)","Acta Crystallographica Section E","2011","67","2","m245","","10.1107/S1600536811002194","","","0.71073","MoKα","","0.1213","0.0543","","","0.1499","0.1816","","","","","","0.916","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229018","12.066","0.0007","13.4377","0.0008","13.3359","0.0008","90","","98.446","0.003","90","","2138.8","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N'</i>)bromido(1,4,7-trithiacyclononane- κ^3^<i>S</i>,<i>S</i>',<i>S</i>'')ruthenium(II) hexafluoridophosphate","","- C16 H20 Br F6 N2 P Ru S3 -","- C16 H20 Br F6 N2 P Ru S3 -","- C64 H80 Br4 F24 N8 P4 Ru4 S12 -","4","1","CV5041","Fernandes, José A.; Almeida Paz, Filipe A.; Ramos, Ana I.; Santos, Teresa M.; Braga, Susana S.","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bromido(1,4,7-trithiacyclononane-κ^3^<i>S</i>,<i>S</i>',<i>S</i>'')ruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2011","67","2","m263","","10.1107/S1600536811002662","","","0.71073","MoKα","","0.029","0.022","","","0.0443","0.0459","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229019","5.1277","0.0004","7.6368","0.0006","12.1571","0.001","97.872","0.003","100.588","0.003","106.194","0.003","440.37","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-3-carboxypyrazin-1-ium nitrate monohydrate","","- C5 H8 N4 O6 -","- C5 H8 N4 O6 -","- C10 H16 N8 O12 -","2","1","CV5043","Berrah, Fadila; Ouakkaf, Amira; Bouacida, Sofiane; Roisnel, Thierry","2-Amino-3-carboxypyrazin-1-ium nitrate monohydrate","Acta Crystallographica Section E","2011","67","2","o525","o526","10.1107/S1600536811003126","","","0.71073","MoKα","","0.043","0.0362","","","0.0923","0.097","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229020","11.6202","0.0019","8.2694","0.0013","20.315","0.003","90","","105.636","0.002","90","","1879.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[1-(4-Chlorobenzoyl)pyrrolidin-2-yl]-4,4,5,5-tetramethyl-4,5- dihydroimidazole-1-oxyl-3-oxide","","- C18 H23 Cl N3 O3 -","- C18 H23 Cl N3 O3 -","- C72 H92 Cl4 N12 O12 -","4","1","DN2639","Tian, Min; Xiang, Zhuo; Zhou, Si-Yuan; Jing, Lin-Lin; Wang, Hai-Bo; Sun, Xiao-Li","2-[1-(4-Chlorobenzoyl)pyrrolidin-2-yl]-4,4,5,5-tetramethyl-4,5-dihydroimidazole-1-oxyl-3-oxide","Acta Crystallographica Section E","2011","67","2","o425","","10.1107/S1600536811001462","","","0.71073","MoKα","","0.1113","0.0512","","","0.121","0.1522","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229021","8.398","0.002","14.93","0.004","11.468","0.003","90","","103.909","0.004","90","","1395.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","","- C13 H15 Cl N2 S -","- C13 H15 Cl N2 S -","- C52 H60 Cl4 N8 S4 -","4","1","DN2640","Yamin, Bohari M.; Salem, Halima Farag","1-(3-Chlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","2","o282","","10.1107/S1600536810054292","","","0.71073","MoKα","","0.0574","0.0478","","","0.1271","0.1327","","","","","","1.095","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229022","18.023","0.001","5.4585","0.0002","16.5708","0.0009","90","","115.543","0.007","90","","1470.88","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Nonyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C16 H24 N2 O -","- C16 H24 N2 O -","- C64 H96 N8 O4 -","4","1","DN2641","Ouzidan, Younes; Kandri Rodi, Youssef; Butcher, Raymond J.; Essassi, El Mokhtar; El Ammari, Lahcen","1-Nonyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o283","","10.1107/S1600536810054164","","","1.54184","CuKα","","0.0638","0.0483","","","0.1241","0.1369","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229023","12.06","0.002","13.632","0.003","8.8679","0.0018","90","","93.71","0.03","90","","1454.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Cyano-<i>N</i>-(2-hydroxybenzyl)anilinium nitrate","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C56 H52 N12 O16 -","4","1","DN2642","Dai, Jing; Chen, Xin-Yuan","3-Cyano-<i>N</i>-(2-hydroxybenzyl)anilinium nitrate","Acta Crystallographica Section E","2011","67","2","o287","","10.1107/S1600536810054231","","","0.71073","MoKα","","0.0961","0.0659","","","0.1683","0.1866","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229024","21.032","0.003","6.2243","0.001","15.405","0.002","90","","90","","90","","2016.7","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,6-Bis(tosyloxymethyl)pyridine","","- C21 H21 N O6 S2 -","- C21 H21 N O6 S2 -","- C84 H84 N4 O24 S8 -","4","0.5","DN2643","Komarsamy, Lynette; Bala, Muhammad D.; Friedrich, Holger B.; Omondi, Bernard","2,6-Bis(tosyloxymethyl)pyridine","Acta Crystallographica Section E","2011","67","2","o302","","10.1107/S160053681100050X","","","0.71073","MoKα","","0.071","0.0471","","","0.117","0.1371","","","","","","0.962","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229025","14.2658","0.0008","14.1553","0.0011","6.5893","0.0017","90","","96.398","0.009","90","","1322.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-2-[(<i>E</i>)-(4-methoxyphenyl)iminomethyl]phenol","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","DN2646","Özdemir Tari, Gonca; Işık, Şamil; Özkan, Ramazan; Alaman Ağar, Ayşen","3-Methoxy-2-[(<i>E</i>)-(4-methoxyphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","2","o343","o344","10.1107/S1600536811000596","","","0.71073","MoKα","","0.0992","0.0533","","","0.1067","0.1218","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229026","7.572","0.002","11.259","0.003","13.362","0.003","69.42","0.02","86.58","0.02","70.98","0.02","1006.3","0.5","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","(1<i>RS</i>,6<i>SR</i>)-Ethyl 4-(4-chlorophenyl)-6-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate toluene hemisolvate","","- C24.5 H22 Cl F O3 -","- C24.5 H22 Cl F O3 -","- C49 H44 Cl2 F2 O6 -","2","1","DN2647","Dutkiewicz, Grzegorz; Narayana, B.; Veena, K.; Yathirajan, H. S.; Kubicki, Maciej","(1<i>RS</i>,6<i>SR</i>)-Ethyl 4-(4-chlorophenyl)-6-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate toluene hemisolvate","Acta Crystallographica Section E","2011","67","2","o334","o335","10.1107/S1600536811000158","","","0.71073","MoKα","","0.0818","0.0423","","","0.08","0.0849","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2229027","11.062","0.002","11.675","0.003","13.854","0.003","90","","92.89","0.02","90","","1787","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1<i>RS</i>,6<i>SR</i>)-Ethyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","","- C21 H18 F2 O3 -","- C21 H18 F2 O3 -","- C84 H72 F8 O12 -","4","1","DN2648","Dutkiewicz, Grzegorz; Narayana, B.; Veena, K.; Yathirajan, H. S.; Kubicki, Maciej","(1<i>RS</i>,6<i>SR</i>)-Ethyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2011","67","2","o336","","10.1107/S1600536811000171","","","0.71073","MoKα","","0.0862","0.0553","","","0.1569","0.1682","","","","","","1.105","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229028","12.1711","0.0013","23.167","0.002","7.44","0.0008","90","","107.304","0.001","90","","2002.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl- κ<i>N</i>^3^)methane]oxalatocopper(II) dihydrate","","- C15 H26 Cu N4 O7 -","- C15 H26 Cu N4 O7 -","- C60 H104 Cu4 N16 O28 -","4","1","DN2649","Luo, Yang-Hui; Qian, Xiao-Min; Gao, Ge; Li, Jin-Feng; Mao, Shu-Lin","Aqua[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)methane]oxalatocopper(II) dihydrate","Acta Crystallographica Section E","2011","67","2","m172","","10.1107/S1600536811001012","","","0.71073","MoKα","","0.0899","0.0449","","","0.0828","0.0921","","","","","","0.805","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229029","6.0285","0.0008","7.9597","0.0008","10.957","0.0013","100.135","0.005","97.162","0.004","92.921","0.005","512.1","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Carboxy-2,4-dihydroxyanilinium chloride dihydrate","","- C7 H12 Cl N O6 -","- C7 H12 Cl N O6 -","- C14 H24 Cl2 N2 O12 -","2","1","DN2650","Naz, Syeda Sohaila; Islam, Nazar Ul; Tahir, M. Nawaz","5-Carboxy-2,4-dihydroxyanilinium chloride dihydrate","Acta Crystallographica Section E","2011","67","2","o299","","10.1107/S1600536811000559","","","0.71073","MoKα","","0.0687","0.0444","","","0.1039","0.1146","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229030","32.321","0.005","5.437","0.002","22.309","0.003","90","","90","","90","","3920.3","1.7","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(1<i>RS</i>,6<i>SR</i>)-Ethyl 4-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","","- C21 H17 Cl2 F O3 -","- C21 H17 Cl2 F O3 -","- C168 H136 Cl16 F8 O24 -","8","2","DN2651","Dutkiewicz, Grzegorz; Narayana, B.; Veena, K.; Yathirajan, H. S.; Kubicki, Maciej","(1<i>RS</i>,6<i>SR</i>)-Ethyl 4-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2011","67","2","o445","o446","10.1107/S160053681100184X","","","0.71073","MoKα","","0.0593","0.0392","","","0.097","0.1044","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229031","8.491","0.0017","9.6516","0.0019","9.6532","0.0019","89.06","0.03","70.47","0.03","87.02","0.03","744.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-{5,5-Dimethyl-3-[2-(pyridin-2-yl)ethenyl]cyclohex-2-enylidene}propanedinitrile","","- C18 H17 N3 -","- C18 H17 N3 -","- C36 H34 N6 -","2","1","DN2652","Chen, Liuqing","2-{5,5-Dimethyl-3-[2-(pyridin-2-yl)ethenyl]cyclohex-2-enylidene}propanedinitrile","Acta Crystallographica Section E","2011","67","2","o453","","10.1107/S1600536811001486","","","0.71073","MoKα","","0.0496","0.0398","","","0.1049","0.1122","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229032","27.098","0.003","7.9045","0.0008","22.308","0.002","90","","99.011","0.008","90","","4719.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4- ylidene)(thiophen-2-yl)methyl]amino}-2-phenyl-1<i>H</i>-pyrazol- 3(2<i>H</i>)-one","","- C26 H23 N5 O2 S -","- C26 H23 N5 O2 S -","- C208 H184 N40 O16 S8 -","8","1","DN2653","Zhu, Hualing; Ban, Litong; Zhang, Pingping; Zhao, Xinxin; Ren, Junjie","1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)(thiophen-2-yl)methyl]amino}-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o476","o477","10.1107/S1600536811002467","","","0.71075","MoKα","","0.072","0.0494","","","0.1279","0.1441","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229033","22.4703","0.0013","7.0902","0.0004","18.0565","0.0011","90","","110.926","0.007","90","","2687","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-4-{1-[(2-Hydroxyethyl)amino]ethylidene}-3-methyl-1-phenyl-1<i>H</i>-\ pyrazol-5(4<i>H</i>)-one","","- C14 H17 N3 O2 -","- C14 H14 N3 O2 -","- C112 H112 N24 O16 -","8","1","DS2072","Jayarajan, R.; Sharmila, P.; Jagadeesan, G.; Vasuki, G.; Aravindhan, S.","(<i>Z</i>)-4-{1-[(2-Hydroxyethyl)amino]ethylidene}-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o444","","10.1107/S1600536810054127","","","0.71073","MoKα","","0.081","0.0549","","","0.1608","0.173","","","","","","0.981","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229034","6.9882","0.0012","7.4165","0.0012","13.233","0.002","81.343","0.003","82.443","0.003","62.699","0.002","600.97","0.17","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,2'-(<i>p</i>-Phenylene)bis(4,5-dihydro-1<i>H</i>-imidazol-3-ium) bis(3-nitrobenzoate)","","- C26 H24 N6 O8 -","- C26 H24 N6 O8 -","- C26 H24 N6 O8 -","1","0.5","DS2078","Song, Xiu-Mei; Li, Jun-Jun; Liu, Xin-Hua; Ren, Chun-Xia; Shang, Shao-Ming","2,2'-(<i>p</i>-Phenylene)bis(4,5-dihydro-1<i>H</i>-imidazol-3-ium) bis(3-nitrobenzoate)","Acta Crystallographica Section E","2011","67","2","o263","","10.1107/S1600536810053341","","","0.71073","MoKα","","0.0839","0.0534","","","0.1291","0.151","","","","","","1.067","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229035","22.888","0.005","9.4031","0.0019","8.9688","0.0018","90","","90","","90","","1930.2","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol- 1-yl]ethan-1-one","","- C25 H19 N3 O3 -","- C25 H19 N3 O3 -","- C100 H76 N12 O12 -","4","1","FB2230","Dong, Bao-Li; Wang, Ming-Liang; Li, Yong-Hua","1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethan-1-one","Acta Crystallographica Section E","2011","67","2","o386","","10.1107/S1600536810053365","","","0.71073","MoKα","","0.0441","0.0389","","","0.0935","0.0967","","","","","","1.069","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229036","8.3024","0.0012","23.008","0.003","15.279","0.002","90","","90","","90","","2918.6","0.7","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","Pentapotassium μ-arsenato-bis(hydroxytetramolybdate) dihydrate","","- As H6 K5 Mo8 O32 -","- As H6 K5 Mo8 O32 -","- As4 H24 K20 Mo32 O128 -","4","0.25","FI2098","Yu, Hai-Hui; Kong, Li; Cui, Ji-Wen; Wang, Hai-Tao","Pentapotassium μ-arsenato-bis(hydroxytetramolybdate) dihydrate","Acta Crystallographica Section E","2011","67","2","i15","","10.1107/S1600536810054176","","","0.71073","MoKα","","0.044","0.0323","","","0.0926","0.0976","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2229037","5.5121","0.0002","3.4951","0.0001","24.3078","0.0007","90","","90","","90","","468.3","0.03","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Molybdenum platinum silicide","Molybdenum triplatinum tetrasilicide","","- Mo Pt3 Si4 -","- Mo Pt3 Si4 -","- Mo4 Pt12 Si16 -","4","0.5","FI2101","Knittel, Stephane; Francois, Michel; Steinmetz, Jean; Vilasi, Michel","Redetermination of MoPt~3~Si~4~ from single-crystal data","Acta Crystallographica Section E","2011","67","2","i20","","10.1107/S1600536810054425","","","0.71073","MoKα","","0.0315","0.0285","","","0.0657","0.0667","","","","","","1.409","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229038","9.901","0.001","10.179","0.001","12.013","0.002","90.403","0.005","112.851","0.006","114.084","0.006","998.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(2-chlorobenzyl)-<i>N</i>''-(dichloroacetyl)phosphoric triamide","","- C16 H16 Cl4 N3 O2 P -","- C16 H16 Cl4 N3 O2 P -","- C32 H32 Cl8 N6 O4 P2 -","2","1","FI2102","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir","<i>N</i>,<i>N</i>'-Bis(2-chlorobenzyl)-<i>N</i>''-(dichloroacetyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","2","o333","","10.1107/S1600536811000845","","","0.71073","MoKα","","0.0769","0.0608","","","0.1437","0.1559","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229039","10.5331","0.001","10.9647","0.001","14.5541","0.0014","90","","103.258","0.005","90","","1636.1","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1<i>H</i>-benzimidazol- 2(3<i>H</i>)-one","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","FJ2373","Ouzidan, Younes; Kandri Rodi, Youssef; Fronczek, Frank R.; Venkatraman, Ramaiyer; El Ammari, Lahcen; Essassi, El Mokhtar","1,3-Bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o362","o363","10.1107/S1600536810052141","","","1.54178","CuKα","","0.0305","0.0298","","","0.0736","0.0741","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229040","14.414","0.008","12.976","0.007","16.115","0.009","90","","90","","90","","3014","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate)","","- C7 H15 Cl F12 N2 P2 -","- C7 H15 Cl F12 N2 P2 -","- C56 H120 Cl8 F96 N16 P16 -","8","1","FJ2377","Zhu, Run-Qiang","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate)","Acta Crystallographica Section E","2011","67","2","o346","","10.1107/S1600536811000390","","","0.71073","MoKα","","0.061","0.056","","","0.1422","0.1459","","","","","","1.239","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229041","3.8799","0.0003","6.3077","0.0005","14.0735","0.0012","98.068","0.007","91.564","0.007","100.473","0.007","334.84","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","p-fluorbenzoxaborole","5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol","","- C7 H6 B F O2 -","- C7 H6 B F O2 -","- C14 H12 B2 F2 O4 -","2","1","FJ2381","Madura, Izabela D.; Adamczyk-Woźniak, Agnieszka; Jakubczyk, Michał; Sporzyński, Andrzej","5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol","Acta Crystallographica Section E","2011","67","2","o414","o415","10.1107/S1600536811001632","","","1.5418","CuKα","","0.0334","0.0322","","","0.0871","0.0884","","","","","","1.071","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229042","9.988","0.003","6.4547","0.0017","19.184","0.006","90","","90","","90","","1236.8","0.6","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Nitro-1<i>H</i>-pyrrole-2-carboxamide","","- C5 H5 N3 O3 -","- C5 H5 N3 O3 -","- C40 H40 N24 O24 -","8","1","FJ2382","Liu, Long; He, Chunlin; Li, Zengxi; Li, Chunshan; Zhang, Xiangping; Zhang, Suojiang","<i>N</i>-Nitro-1<i>H</i>-pyrrole-2-carboxamide","Acta Crystallographica Section E","2011","67","2","o479","","10.1107/S1600536811002455","","","0.71073","MoKα","","0.0544","0.0431","","","0.0986","0.1056","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229043","11.996","0.005","12.387","0.005","16.721","0.004","98.34","0.03","110.01","0.02","90.52","0.04","2305.4","1.5","122","1","122","1","","","","","","","","6","P -1","-P 1","2","","Bis(tetraphenylphosphonium) tetracyanidonitridochromate(V) dihydrate","","- C52 H44 Cr N5 O2 P2 -","- C52 H44 Cr N5 O2 P2 -","- C104 H88 Cr2 N10 O4 P4 -","2","1","FJ2383","Schau-Magnussen, Magnus; Bendix, Jesper","Bis(tetraphenylphosphonium) tetracyanidonitridochromate(V) dihydrate","Acta Crystallographica Section E","2011","67","2","m227","m228","10.1107/S1600536811002108","","","0.71073","MoKα","","0.0585","0.0389","","","0.0801","0.0919","","","","","","1.096","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2229044","4.6573","0.0002","5.6842","0.0003","15.7273","0.0008","94.298","0.003","98.473","0.003","105.689","0.004","393.57","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","5,5'-Bis[(2,2,2-trifluoroethoxy)methyl]-2,2'-bipyridine","","- C16 H14 F6 N2 O2 -","- C16 H14 F6 N2 O2 -","- C16 H14 F6 N2 O2 -","1","0.5","FK2030","Lu, Norman; Tu, Wen-Han; Chang, Wei-Hsuan; Wu, Zong-Wei; Su, Han-Chang","5,5'-Bis[(2,2,2-trifluoroethoxy)methyl]-2,2'-bipyridine","Acta Crystallographica Section E","2011","67","2","o355","o356","10.1107/S1600536811000730","","","0.71073","MoKα","","0.0382","0.0313","","","0.0853","0.1039","","","","","","1.12","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229045","8.2001","0.0012","10.178","0.0015","13.7399","0.0018","89.798","0.012","78.13","0.011","81.558","0.012","1109.6","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","1-methylpiperazine-1,4-diium dipicrate","1-methylpiperazine-1,4-diium bis(2,4,6-trinitrophenolate)","","- C17 H18 N8 O14 -","- C17 H18 N8 O14 -","- C34 H36 N16 O28 -","2","1","FL2330","Dutkiewicz, Grzegorz; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.; Kubicki, Maciej","1-Methylpiperazine-1,4-diium dipicrate","Acta Crystallographica Section E","2011","67","2","o390","o391","10.1107/S1600536811001024","","","0.71073","MoKα","","0.0612","0.0436","","","0.1132","0.1232","","","","","","0.947","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229046","10.9314","0.0004","11.6748","0.0004","12.053","0.0004","92.969","0.003","115.555","0.003","109.852","0.003","1269.14","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(<i>RS</i>)-4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)- 2-methylpiperazin-1-ium 2,4,6-trinitrophenolate","","- C23 H22 F2 N6 O10 -","- C23 H22 F2 N6 O10 -","- C46 H44 F4 N12 O20 -","2","1","FL2332","Jasinski, Jerry P.; Butcher, Ray J.; Siddegowda, M. S.; Yathirajan, H. S.; Hakim Al-arique, Q. N. M.","Lomefloxacinium picrate","Acta Crystallographica Section E","2011","67","2","o483","o484","10.1107/S1600536811002534","","","1.54178","CuKα","","0.0728","0.0677","","","0.1931","0.1975","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229047","16.407","0.0006","11.3751","0.0004","18.749","0.0007","90","","90","","90","","3499.1","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Cyclohexyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C21 H21 F O2 S -","- C21 H21 F O2 S -","- C168 H168 F8 O16 S8 -","8","1","FL2333","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","2","o470","","10.1107/S1600536811002297","","","0.71073","MoKα","","0.0539","0.0401","","","0.1002","0.1117","","","","","","0.933","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229048","9.9789","0.0016","8.5633","0.0014","13.657","0.002","90","","90","","90","","1167","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1<i>H</i>-Pyrrole-2-carbohydrazide","","- C5 H7 N3 O -","- C5 H7 N3 O -","- C40 H56 N24 O8 -","8","1","FY2001","Wang, Lina; Liu, Xiangrong; Yang, Chun; Zhao, Shunsheng; Li, Kanshe","1<i>H</i>-Pyrrole-2-carbohydrazide","Acta Crystallographica Section E","2011","67","2","o493","","10.1107/S1600536811002650","","","0.71073","MoKα","","0.0582","0.0428","","","0.1312","0.1463","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229049","11.02","0.001","11.341","0.001","16.554","0.002","86.17","0.001","77.537","0.001","70.836","0.001","1908.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(4-hydroxyphenyl)acetato-κ<i>O</i>]bis(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium pentahydrate","","- C40 H40 Cd N4 O11 -","- C40 H40 Cd N4 O11 -","- C80 H80 Cd2 N8 O22 -","2","1","GK2315","Yu, Yu-Ye","Bis[2-(4-hydroxyphenyl)acetato-κ<i>O</i>]bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium pentahydrate","Acta Crystallographica Section E","2011","67","2","m246","","10.1107/S1600536811001747","","","0.71073","MoKα","","0.0304","0.026","","","0.0638","0.0667","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229050","6.287","0.0013","10.008","0.002","21.68","0.004","90","","97.96","0.03","90","","1351","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Butanoyl-3-hydroxyphenyl)butanamide","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","GK2334","Yang, Ming-Ming; Li, Fang-Shi; Lu, Qi-Sheng; Wang, Hao-Wei; Xie, Qing","<i>N</i>-(4-Butanoyl-3-hydroxyphenyl)butanamide","Acta Crystallographica Section E","2011","67","2","o441","","10.1107/S1600536811001279","","","0.71073","MoKα","","0.0768","0.0496","","","0.1367","0.1602","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229051","8.2966","0.0003","9.6107","0.0003","11.678","0.0004","95.328","0.002","101.271","0.002","100.166","0.002","891.01","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-4-(1<i>H</i>-imidazol-3-ium-1-yl)benzoato- κ^2^<i>O</i>:<i>O</i>']bis[(methanol)tris(nitrato- κ^2^<i>O</i>,<i>O</i>')terbium(III)]","","- C22 H24 N10 O24 Tb2 -","- C22 H24 N10 O24 Tb2 -","- C22 H24 N10 O24 Tb2 -","1","0.5","GK2337","Jung, Yeong-Min; Lee, Soon W.","Bis[μ-4-(1<i>H</i>-imidazol-3-ium-1-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[(methanol)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)]","Acta Crystallographica Section E","2011","67","2","m253","m254","10.1107/S1600536811002443","","","0.71073","MoKα","","0.0313","0.0263","","","0.059","0.0608","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229052","10.4248","0.0004","8.3629","0.0003","25.2284","0.0011","90","","92.902","0.001","90","","2196.63","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 1-benzenesulfonyl-2-[(<i>E</i>)-2-(2-methylphenyl)ethenyl]indole-3-carboxylate","","- C26 H23 N O4 S -","- C26 H23 N O4 S -","- C104 H92 N4 O16 S4 -","4","1","GK2338","Ramathilagam, C.; Saravanan, V.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Umarani, P. R.; Manivannan, V.","Ethyl 1-benzenesulfonyl-2-[(<i>E</i>)-2-(2-methylphenyl)ethenyl]indole-3-carboxylate","Acta Crystallographica Section E","2011","67","2","o448","","10.1107/S1600536811001863","","","0.71073","MoKα","","0.063","0.0422","","","0.1041","0.1172","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229053","8.9757","0.0003","22.5582","0.0008","11.2698","0.0003","90","","104.443","0.001","90","","2209.74","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ~2~-2-methyl-3,5-dinitrobenzoato- κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[aquacopper(II)] tetrahydrate","","- C32 H32 Cu2 N8 O30 -","- C32 H32 Cu2 N8 O30 -","- C64 H64 Cu4 N16 O60 -","2","0.5","GK2339","Danish, Muhammad; Ghafoor, Sabiha; Tahir, M. Nawaz; Ahmad, Nazir; Nisa, Mehwish","Tetrakis(μ~2~-2-methyl-3,5-dinitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[aquacopper(II)] tetrahydrate","Acta Crystallographica Section E","2011","67","2","m168","m169","10.1107/S1600536811000547","","","0.71073","MoKα","","0.0476","0.0344","","","0.082","0.0883","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229054","7.1044","0.0008","9.7393","0.001","10.9236","0.0012","109.731","0.005","91.799","0.006","100.679","0.006","695.51","0.13","296","2","296","2","","","","","","","","4","P 1","P 1","1","","<i>N</i>-{4-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]phenyl}acetamide","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C32 H32 N4 O2 -","2","2","GK2340","Tahir, M. Nawaz; Shad, Hazoor Ahmad","<i>N</i>-{4-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]phenyl}acetamide","Acta Crystallographica Section E","2011","67","2","o443","","10.1107/S1600536811001887","","","0.71073","MoKα","","0.0987","0.0443","","","0.091","0.1117","","","","","","0.966","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229055","10.869","0.002","11.984","0.002","12.332","0.003","72.356","0.006","85.305","0.008","74.219","0.007","1473","0.5","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","{<i>rac</i>-5-[Methoxy(phenyl)methyl]-10,20-diphenylporphyrinato}nickel(II)","","- C40 H28 N4 Ni O -","- C40 H28 N4 Ni O -","- C80 H56 N8 Ni2 O2 -","2","1","GO2001","Senge, Mathias O.; Dahms, Katja","{<i>rac</i>-5-[Methoxy(phenyl)methyl]-10,20-diphenylporphyrinato}nickel(II)","Acta Crystallographica Section E","2011","67","2","m265","","10.1107/S1600536811002960","","","0.7107","MoKα","","0.0584","0.053","","","0.1052","0.1081","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2229056","10.842","0.007","16.651","0.007","9.787","0.006","90","","90","","90","","1766.8","1.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-[(Butylamino)(phenyl)methyl]naphthalen-2-ol","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","GW2088","Ni, Hen-Mei","1-[(Butylamino)(phenyl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2011","67","2","o322","","10.1107/S1600536811000067","","","0.71073","MoKα","","0.1298","0.0867","","","0.1178","0.134","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229057","10.6088","0.0012","11.0069","0.0007","14.066","0.002","89.175","0.009","88.524","0.012","82.021","0.007","1625.9","0.3","290","2","290","2","","","","","","","","8","P -1","-P 1","2","","{2,6-Bis[(2,6-diphenylphosphanyl)oxy]-4-fluorophenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}(6-methyl-2,2,4-trioxo-3,4-dihydro- 1,2,3-oxathiazin-3-ido-κ<i>N</i>)palladium(II)","","- C34 H26 F N O6 P2 Pd S -","- C34 H26 F N O6 P2 Pd S -","- C68 H52 F2 N2 O12 P4 Pd2 S2 -","2","1","GW2097","Wicker, Benjamin F.; Seaman, Rachel; Hoffman, Norris W.; Davis, Jr, James H.; Sykora, Richard E.","{2,6-Bis[(2,6-diphenylphosphanyl)oxy]-4-fluorophenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ido-κ<i>N</i>)palladium(II)","Acta Crystallographica Section E","2011","67","2","m286","m287","10.1107/S1600536811002911","","","0.71073","MoKα","","0.0389","0.028","","","0.0731","0.0778","","","","","","1.053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229058","17.2186","0.0013","4.5304","0.0003","11.9846","0.0009","90","","93.348","0.003","90","","933.29","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(4-Methylbenzylidene)hydrazinecarboxamide","","- C9 H11 N3 O -","- C9 H11 N3 O -","- C36 H44 N12 O4 -","4","1","HB5772","Kia, Yalda; Osman, Hasnah; al Murugaiyah, Vikneswaran; Hemamalini, Madhukar; Fun, Hoong-Kun","(<i>E</i>)-2-(4-Methylbenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2011","67","2","o242","","10.1107/S1600536810052797","","","0.71073","MoKα","","0.0672","0.0478","","","0.1339","0.1485","","","","","","1.093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229059","7.169","0.0006","14.4303","0.0011","28.667","0.003","90","","90","","90","","2965.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-3-(2-methoxyanilino)propan-1-one","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C128 H128 Cl8 N8 O16 -","8","1","HB5773","Llovera, Ligia; Anzenbacher, Jr, Pavel; López, Simón E.; González, Teresa","1-(4-Chlorophenyl)-3-(2-methoxyanilino)propan-1-one","Acta Crystallographica Section E","2011","67","2","o315","","10.1107/S1600536810054449","","","0.7107","MoKα","","0.1161","0.0769","","","0.1784","0.1981","","","","","","1.138","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229060","7.231","0.0014","26.145","0.005","8.059","0.0016","90","","115.033","0.003","90","","1380.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(2,4-Dichlorobenzylidene)-2-fluorobenzohydrazide","","- C14 H9 Cl2 F N2 O -","- C14 H9 Cl2 F N2 O -","- C56 H36 Cl8 F4 N8 O4 -","4","1","HB5775","Wang, Hai-Tao; Yuan, Ling; Nan, Yi; Wang, Rong; Zhou, Li; Niu, Yang","<i>N</i>'-(2,4-Dichlorobenzylidene)-2-fluorobenzohydrazide","Acta Crystallographica Section E","2011","67","2","o252","","10.1107/S1600536810053249","","","0.71073","MoKα","","0.0747","0.0562","","","0.1512","0.1629","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229061","5.6921","0.0001","19.6453","0.0004","12.361","0.0002","90","","96.127","0.001","90","","1374.35","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Isobutyl-6-phenylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C14 H15 N3 S -","- C14 H15 N3 S -","- C56 H60 N12 S4 -","4","1","HB5776","Fun, Hoong-Kun; Hemamalini, Madhukar; Prasad, D. Jagadeesh; Castelino, Prakash Anil; Anitha, V. V.","2-Isobutyl-6-phenylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2011","67","2","o254","","10.1107/S1600536810053201","","","0.71073","MoKα","","0.0469","0.0385","","","0.1068","0.1149","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229062","3.8879","0.0002","6.751","0.0003","13.7788","0.0005","97.62","0.002","96.177","0.002","92.017","0.002","355.93","0.03","296","2","296","2","","","","","","","","4","P 1","P 1","1","","(<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one","","- C15 H8 Cl4 O -","- C15 H8 Cl4 O -","- C15 H8 Cl4 O -","1","1","HB5777","Fun, Hoong-Kun; Yeap, Chin Sing; Prasad, D. Jagadeesh; Nayak, Suresh P.; Laxmana, K.","(<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","2","o241","","10.1107/S1600536810053213","","","0.71073","MoKα","","0.0332","0.0303","","","0.0787","0.0823","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229063","5.7139","0.0001","10.1795","0.0001","12.9689","0.0002","85.174","0.001","85.164","0.001","80.69","0.001","739.837","0.019","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Isobutyl-6-(4-methoxyphenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C15 H17 N3 O S -","- C15 H17 N3 O S -","- C30 H34 N6 O2 S2 -","2","1","HB5778","Fun, Hoong-Kun; Yeap, Chin Sing; Prasad, D. Jagadeesh; Castelino, Prakash Anil; Anitha, V. V.","2-Isobutyl-6-(4-methoxyphenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2011","67","2","o255","","10.1107/S1600536810053225","","","0.71073","MoKα","","0.0881","0.053","","","0.1405","0.1631","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229064","4.4235","0.001","5.685","0.0017","8.705","0.0017","80.819","0.013","79.943","0.014","81.804","0.014","211.3","0.09","293","2","293","2","","","","","","","","3","P 1","P 1","1","","2-Hydroxyethyl 4-hydroxybenzoate","","- C9 H10 O4 -","- C9 H10 O4 -","- C9 H10 O4 -","1","1","HB5779","Jeyalaxmi, M.; Jagadeesan, G.; Arulmoli, J.; Singh, D. Roop; Aravindhan, S.","2-Hydroxyethyl 4-hydroxybenzoate","Acta Crystallographica Section E","2011","67","2","o442","","10.1107/S1600536810054516","","","0.71073","MoKα","","0.0346","0.0306","","","0.084","0.0876","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229065","18.7737","0.0014","6.2837","0.0005","15.7591","0.0012","90","","108.668","0.001","90","","1761.3","0.2","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Hexaaquamagnesium bis{4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonate} dihydrate","","- C26 H34 Br2 Mg N2 O16 S2 -","- C26 H34 Br2 Mg N2 O16 S2 -","- C52 H68 Br4 Mg2 N4 O32 S4 -","2","0.5","HB5780","Tai, Xi-Shi","Hexaaquamagnesium bis{4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonate} dihydrate","Acta Crystallographica Section E","2011","67","2","m132","","10.1107/S1600536810053717","","","0.71073","MoKα","","0.0774","0.0565","","","0.1253","0.1306","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229066","29.6418","0.0018","6.7166","0.0003","28.5708","0.0015","90","","123.043","0.004","90","","4768.2","0.5","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(3<i>R</i>*,4<i>R</i>*)-1-(4-Chlorophenyl)-4-[2-hydroxy-3- (morpholinomethyl)phenyl]-3-phenoxyazetidin-2-one","","- C26 H25 Cl N2 O4 -","- C26 H25 Cl N2 O4 -","- C208 H200 Cl8 N16 O32 -","8","1","HB5782","Akkurt, Mehmet; Jarrahpour, Aliasghar; Sharghi, Hashem; Badrabady, Seid Ali Torabi; Büyükgüngör, Orhan","(3<i>R</i>*,4<i>R</i>*)-1-(4-Chlorophenyl)-4-[2-hydroxy-3-(morpholinomethyl)phenyl]-3-phenoxyazetidin-2-one","Acta Crystallographica Section E","2011","67","2","o325","","10.1107/S1600536811000675","","","0.71073","MoKα","","0.2278","0.087","","","0.0984","0.1304","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229067","6.0764","0.0003","9.9545","0.0005","16.4519","0.001","104.36","0.004","91.261","0.005","97.724","0.004","953.71","0.09","296","","296","","","","","","","","","4","P -1","-P 1","2","","1-(4-Methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C46 H42 N2 O6 -","2","1","HB5783","Akkurt, Mehmet; Dağdemir, Yılmaz; Jarrahpour, Aliasghar; Rostami, Maryam; Büyükgüngör, Orhan","1-(4-Methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one","Acta Crystallographica Section E","2011","67","2","o326","o327","10.1107/S1600536811000663","","","0.71073","MoKα","","0.0807","0.0484","","","0.1062","0.1193","","","","","","1.025","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229068","22.7156","0.0013","19.9023","0.0011","18.4979","0.001","90","","106.561","0.001","90","","8015.9","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane- 1:2κ^2^<i>P</i>:<i>P</i>']decacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triruthenium(0)‒ methanol (8/1)","","- C313 H244 O81 P16 Ru24 -","- C313 H244 O81 P16 Ru24 -","- C313 H244 O81 P16 Ru24 -","1","0.25","HB5784","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Hafiz Malik, H. A.; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triruthenium(0)‒methanol (8/1)","Acta Crystallographica Section E","2011","67","2","m197","m198","10.1107/S1600536811000791","","","0.71073","MoKα","","0.0686","0.035","","","0.0669","0.0824","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229069","11.022","0.002","28.576","0.006","18.454","0.004","90","","106.069","0.003","90","","5585","2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane- 1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>- [diphenyl(phenylsulfanylmethyl)phosphane-3κ<i>P</i>]-<i>triangulo</i>- triruthenium(0) dichloromethane 0.25-solvate","","- C57.25 H47.5 Cl0.5 O9 P3 Ru3 S -","- C57.25 H47.5 Cl0.5 O9 P3 Ru3 S -","- C229 H190 Cl2 O36 P12 Ru12 S4 -","4","1","HB5785","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Hafiz Malik, H. A.; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[diphenyl(phenylsulfanylmethyl)phosphane-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0) dichloromethane 0.25-solvate","Acta Crystallographica Section E","2011","67","2","m195","m196","10.1107/S160053681100081X","","","0.71073","MoKα","","0.0772","0.0397","","","0.0764","0.0921","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2229070","13.338","0.003","8.101","0.0016","14.311","0.003","90","","106.26","0.03","90","","1484.5","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Carboxymethyl ursolate monohydrate","","- C32 H52 O6 -","- C32 H52 O6 -","- C64 H104 O12 -","2","1","HB5787","Zhong, Yan; Dai, ZhaoHui; Teng, YanBo; Wu, Bin; Zhou, JianPing","Carboxymethyl ursolate monohydrate","Acta Crystallographica Section E","2011","67","2","o428","","10.1107/S1600536811001619","","","0.71073","MoKα","","0.0611","0.0476","","","0.1232","0.134","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229071","15.332","0.002","8.6833","0.0014","11.6066","0.0019","90","","109.916","0.003","90","","1452.8","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Ethyl-2-(4-fluorophenyl)-4-phenoxy-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C17 H15 F N2 O2 -","- C17 H15 F N2 O2 -","- C68 H60 F4 N8 O8 -","4","1","HB5788","Shahani, Tara; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Venkatesh, M.","5-Ethyl-2-(4-fluorophenyl)-4-phenoxy-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o475","","10.1107/S1600536811000754","","","0.71073","MoKα","","0.0614","0.0439","","","0.1038","0.1186","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229072","8.4375","0.0009","17.551","0.002","8.242","0.001","90","","91.24","0.01","90","","1220.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ethyl-2-oxo-3-phenylhydrazono butyrate","Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","HB5790","Gupta, Satish Chandra; Mandal, Deo Kumar; Rani, Asha; Sahay, Anup; Prasad, Satya Murti","Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination","Acta Crystallographica Section E","2011","67","2","o460","","10.1107/S1600536811002200","","","1.5418","CuKα","","0.0598","0.052","","","0.1791","0.1847","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229073","4.4029","0.0003","20.5847","0.0015","39.612","0.003","90","","90","","90","","3590.1","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-Crebanine","9,10-dimethoxy-7-methyl-6,7,7a,8-tetrahydro-5<i>H</i>- benzo[<i>g</i>][1,3]benzodioxolo[6,5,4-<i>de</i>]quinoline","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","2","HG2768","Duangthongyou, Tanwawan; Makarasen, Arthit; Techasakul, Supanna; Chimnoi, Nitirat; Siripaisarnpipat, Sutatip","({-})-Crebanine","Acta Crystallographica Section E","2011","67","2","o402","","10.1107/S1600536811001231","","","0.71073","MoKα","","","0.105","","","","0.2493","","","","","","1.2","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229074","6.9802","0.0003","9.357","0.0004","12.5779","0.0005","102.833","0.004","94.296","0.004","107.567","0.004","754.68","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(4-nitrobenzamido)benzoate","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","HG2769","Saeed, Sohail; Rashid, Naghmana; Jasinski, Jerry P.; Butcher, Ray J.","Ethyl 2-(4-nitrobenzamido)benzoate, a non-merohedral twin","Acta Crystallographica Section E","2011","67","2","o465","","10.1107/S1600536811002236","","","1.54178","CuKα","","0.0568","0.0526","","","0.1512","0.1574","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229075","10.1645","0.0005","13.9747","0.0006","17.0047","0.0008","103.867","0.0006","95.356","0.0007","99.0625","0.0007","2294.02","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl(phenyl)bis(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)tin(IV) monohydrate","","- C27 H22 N2 O5 Sn -","- C27 H22 N2 O5 Sn -","- C108 H88 N8 O20 Sn4 -","4","2","HG2770","Vafaee, Marzieh; Amini, Mostafa M.; Ng, Seik Weng","Methyl(phenyl)bis(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)tin(IV) monohydrate","Acta Crystallographica Section E","2011","67","2","m156","m157","10.1107/S1600536810054437","","","0.71073","MoKα","","0.0441","0.0317","","","0.0873","0.101","","","","","","1.074","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229076","10.8762","0.0011","11.2559","0.0012","14.4859","0.0015","81.124","0.002","77.063","0.002","81.168","0.002","1694.6","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(Dimethyl sulfoxide-κ<i>O</i>)bis(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)zinc dipicrate dimethyl sulfoxide solvate monohydrate","","- C18 H28 N12 O17 S4 Zn -","- C18 H28 N12 O17 S4 Zn -","- C36 H56 N24 O34 S8 Zn2 -","2","1","HG2775","Shanthakumari, R.; Hema, Ramu; Ramamurthy, K.; Sridar, Balasubramnian; Stoeckli-Evans, Helen","(Dimethyl sulfoxide-κ<i>O</i>)bis(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)zinc dipicrate dimethyl sulfoxide solvate monohydrate","Acta Crystallographica Section E","2011","67","2","m133","m134","10.1107/S160053681005378X","","","0.71073","MoKα","","0.0418","0.0338","","","0.0894","0.0954","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229077","7.4842","0.0003","8.685","0.0003","13.0305","0.0004","100.266","0.003","93.851","0.002","97.766","0.002","822.16","0.05","90","2","90","2","","","","","","","","4","P -1","-P 1","2","[acridineH+][pydcH-] monohydrate","Acridinium 6-carboxypyridine-2-carboxylate monohydrate","","- C20 H16 N2 O5 -","- C20 H16 N2 O5 -","- C40 H32 N4 O10 -","2","1","HG2777","Derikvand, Zohreh; Olmstead, Marilyn M.; Attar Gharamaleki, Jafar","Acridinium 6-carboxypyridine-2-carboxylate monohydrate","Acta Crystallographica Section E","2011","67","2","o416","","10.1107/S1600536810053791","","","0.71073","MoKα","","0.0372","0.0346","","","0.1018","0.1045","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229078","12.4837","0.0009","13.8935","0.001","15.8221","0.0012","77.618","0.004","89.642","0.004","63.375","0.004","2383.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) chloride 2-phenyl-4-selenazole-5-carboxylate decahydrate","","- C46 H50 Cl N7 O12 Se Zn -","- C46 H50 Cl N7 O12 Se Zn -","- C92 H100 Cl2 N14 O24 Se2 Zn2 -","2","1","HG2778","Shen, Jin-Bei; Lv, Xin; Chen, Ji-Fei; Zhou, Yu-Feng; Zhao, Guo-Liang","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) chloride 2-phenyl-4-selenazole-5-carboxylate decahydrate","Acta Crystallographica Section E","2011","67","2","m186","m187","10.1107/S1600536811000729","","","0.71073","MoKα","","0.0691","0.0471","","","0.1302","0.1398","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229079","10.34","0.003","35.025","0.01","10.589","0.003","90","","108.399","0.008","90","","3638.9","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dinitrosylbis[tris(4-chlorophenyl)phosphane]iron","","- C36 H24 Cl6 Fe N2 O2 P2 -","- C36 H24 Cl6 Fe N2 O2 P2 -","- C144 H96 Cl24 Fe4 N8 O8 P8 -","4","1","HG2779","Jones, Myron W.; Powell, Douglas R.; Richter-Addo, George B.","Dinitrosylbis[tris(4-chlorophenyl)phosphane]iron","Acta Crystallographica Section E","2011","67","2","m247","","10.1107/S1600536811001693","","","0.71073","MoKα","","0.0304","0.0275","","","0.0698","0.0715","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229080","9.7116","0.0003","10.0302","0.0002","9.4984","0.0003","90","","110.821","0.002","90","","864.81","0.04","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[aquabromidocopper(II)]- μ~3~-(picolinato <i>N</i>-oxide)]","","- C6 H6 Br Cu N O4 -","- C6 H6 Br Cu N O4 -","- C24 H24 Br4 Cu4 N4 O16 -","4","1","HG2780","Wang, Xin-Yu; Zhang, Xiao-Qing; Wu, Wen-Shi","<i>catena</i>-Poly[[aquabromidocopper(II)]-μ~3~-(picolinato <i>N</i>-oxide)]","Acta Crystallographica Section E","2011","67","2","m225","","10.1107/S1600536811001814","","","0.71073","MoKα","","0.0473","0.0441","","","0.1226","0.1267","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229081","15.7277","0.0004","11.8351","0.0003","16.5247","0.0004","90","","90","","90","","3075.89","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-{4-[(2-Methoxyphenyl)sulfamoyl]phenyl}acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","HG2782","Ahmad, Saba; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Adnan, Ahmad; Akkurt, Mehmet","<i>N</i>-{4-[(2-Methoxyphenyl)sulfamoyl]phenyl}acetamide","Acta Crystallographica Section E","2011","67","2","o303","o304","10.1107/S1600536811000432","","","0.71073","MoKα","","0.0632","0.0423","","","0.1071","0.1183","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229082","14.61","0.003","10.244","0.002","18.23","0.004","90","","112.408","0.004","90","","2522.4","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorobutanoyl)-<i>N</i>'-phenylthiourea","","- C11 H13 Cl N2 O S -","- C11 H13 Cl N2 O S -","- C88 H104 Cl8 N16 O8 S8 -","8","2","HG2783","Yamin, Bohari M.; Othman, Nur Eliyanti Ali; Yusof, M. Sukeri M.; Embong, Farhana.","<i>N</i>-(4-Chlorobutanoyl)-<i>N</i>'-phenylthiourea","Acta Crystallographica Section E","2011","67","2","o419","","10.1107/S1600536811001498","","","0.71073","MoKα","","0.0783","0.0478","","","0.1137","0.1313","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229083","7.0919","0.0007","7.0842","0.0007","13.4094","0.0013","92.722","0.008","93.045","0.008","101.926","0.009","657.04","0.11","296","","296","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-{2-Hydroxy-5-[(4-methylphenyl)diazenyl]phenyl}ethanone","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","HG2784","Çapan, Yasemin; Kazak, Canan; Ağar, Ayşen; Macit, Mustafa","(<i>E</i>)-1-{2-Hydroxy-5-[(4-methylphenyl)diazenyl]phenyl}ethanone","Acta Crystallographica Section E","2011","67","2","o429","","10.1107/S1600536811001802","","","0.71073","MoKα","","0.211","0.0537","","","0.0722","0.1","","","","","","0.818","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229084","8.856","0.0018","9.381","0.0019","11.205","0.002","95.634","0.003","110.952","0.003","99.392","0.003","845.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","3-Chloro-<i>N</i>'-(3,5-dibromo-2-hydroxybenzylidene)benzohydrazide methanol monosolvate","","- C15 H13 Br2 Cl N2 O3 -","- C15 H13 Br2 Cl N2 O3 -","- C30 H26 Br4 Cl2 N4 O6 -","2","1","HG2785","Li, Tian-Yi; Qu, Yue-Gang","3-Chloro-<i>N</i>'-(3,5-dibromo-2-hydroxybenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","2","o330","","10.1107/S1600536811000742","","","0.71073","MoKα","","0.0722","0.0441","","","0.1026","0.1167","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229085","7.547","0.002","11.754","0.003","14.912","0.003","90","","90","","90","","1322.8","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","HG2786","Li, Tian-Yi; Ran, Xiao-Li","3-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","2","o331","","10.1107/S1600536811000699","","","0.71073","MoKα","","0.0931","0.0496","","","0.0799","0.0941","","","","","","0.949","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229086","14.266","0.003","7.8342","0.0016","16.703","0.003","90","","100.25","0.03","90","","1837","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-Bis{[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-2-one","","- C17 H12 N6 O3 S2 -","- C17 H12 N6 O3 S2 -","- C68 H48 N24 O12 S8 -","4","0.5","HG2787","Xia, Chao-Hui; Mao, Chun-Bo; Wu, Ben-Lai","1,3-Bis{[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-2-one","Acta Crystallographica Section E","2011","67","2","o413","","10.1107/S1600536811001140","","","0.71073","MoKα","","0.0872","0.0763","","","0.1293","0.1343","","","","","","1.242","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2229087","8.8368","0.001","9.1785","0.001","11.416","0.0012","85.271","0.002","71.058","0.002","77.171","0.002","853.88","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","<i>trans</i>-2,3-Bis(2,4,5-trimethyl-3-thienyl)but-2-enedinitrile","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C36 H36 N4 S4 -","2","1","HG2788","Bian, Jiang; Zhang, Ying; Yan, Xiaoyan","<i>trans</i>-2,3-Bis(2,4,5-trimethyl-3-thienyl)but-2-enedinitrile","Acta Crystallographica Section E","2011","67","2","o399","","10.1107/S1600536811001176","","","0.71073","MoKα","","0.0978","0.0575","","","0.1507","0.1747","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229088","9.9956","0.0006","7.7487","0.0005","16.2709","0.001","90","","99.624","0.001","90","","1242.49","0.13","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (<i>Z</i>)-2-(4-chlorobenzylidene)-3-oxobutanoate","","- C13 H13 Cl O3 -","- C13 H13 Cl O3 -","- C52 H52 Cl4 O12 -","4","1","HG2789","Mohamed, Shaaban K.; Abdelhamid, Antar A.; Gurbanov, Atash V.; Maharramov, A. M.; Ng, Seik Weng","Ethyl (<i>Z</i>)-2-(4-chlorobenzylidene)-3-oxobutanoate","Acta Crystallographica Section E","2011","67","2","o365","","10.1107/S1600536811000717","","","0.71073","MoKα","","0.0814","0.0654","","","0.1879","0.2011","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229089","28.3242","0.0005","6.2561","0.0002","23.6171","0.0004","90","","119.539","0.001","90","","3640.97","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[aquabis[2-(3-benzoylphenyl)propanoato- κ^2^<i>O</i>^1^,<i>O</i>^1'^]cadmium(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>']","","- C42 H36 Cd N2 O7 -","- C42 H36 Cd N2 O7 -","- C168 H144 Cd4 N8 O28 -","4","0.5","HG2790","Jiang, Tao; Ng, Seik Weng","<i>catena</i>-Poly[[aquabis[2-(3-benzoylphenyl)propanoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^]cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","2","m209","","10.1107/S1600536811001280","","","0.71073","MoKα","","0.0342","0.0321","","","0.0808","0.0825","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229090","8.117","0.003","6.769","0.002","20.842","0.003","90","","99.235","0.002","90","","1130.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-Benzimidazol-2-yl)-4-nitrophenol","","- C13 H9 N3 O3 -","- C13 H9 N3 O3 -","- C52 H36 N12 O12 -","4","1","HG2791","Sun, Jingya; Tong, Xiangdi","2-(1<i>H</i>-Benzimidazol-2-yl)-4-nitrophenol","Acta Crystallographica Section E","2011","67","2","o409","","10.1107/S1600536811001644","","","0.71073","MoKα","","0.146","0.0677","","","0.1257","0.1526","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229091","8.208","0.005","14.59","0.005","16.581","0.005","90","","97.747","0.005","90","","1967.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) 5-hydroxyisophthalate monohydrate","","- C14 H30 N6 Ni O6 -","- C14 H30 N6 Ni O6 -","- C56 H120 N24 Ni4 O24 -","4","1","HY2388","Wang, Shu-Hong; Zhang, Bin; Wang, Cheng; Xu, Guo-Qiang; Xie, Yang","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) 5-hydroxyisophthalate monohydrate","Acta Crystallographica Section E","2011","67","2","m257","m258","10.1107/S1600536811001449","","","0.71069","MoKα","","0.0406","0.0318","","","0.0873","0.0918","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229092","8.589","0.008","11.4444","0.0013","11.8453","0.001","90","","111.155","0.001","90","","1085.9","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[trichlorido(dimethylformamide- κ<i>O</i>)tin(IV)]","","- C8 H20 Cl6 N2 O4 Sn2 -","- C8 H20 Cl6 N2 O4 Sn2 -","- C16 H40 Cl12 N4 O8 Sn4 -","2","0.5","HY2391","Zhang, Qijun; Yin, Handong; Wang, Daqi","Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[trichlorido(dimethylformamide-κ<i>O</i>)tin(IV)]","Acta Crystallographica Section E","2011","67","2","m146","","10.1107/S1600536810053997","","","0.71073","MoKα","","0.0551","0.0441","","","0.1104","0.1169","","","","","","1.136","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229093","8.5697","0.0017","10.213","0.002","10.384","0.002","72.43","0.03","68.53","0.03","71.78","0.03","785.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(<i>N</i>,<i>N</i>-diisopropylbutanaminium) bis[di-μ-chlorido-bis[dichloridocuprate(II)]]","","- C20 H48 Cl6 Cu2 N2 -","- C20 H48 Cl6 Cu2 N2 -","- C20 H48 Cl6 Cu2 N2 -","1","0.5","HY2392","Dai, Jing; Xu, Jie","Bis(<i>N</i>,<i>N</i>-diisopropylbutanaminium) bis[di-μ-chlorido-bis[dichloridocuprate(II)]]","Acta Crystallographica Section E","2011","67","2","m170","","10.1107/S1600536810054280","","","0.71073","MoKα","","0.0679","0.0459","","","0.0924","0.1072","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229094","37.163","0.003","9.419","0.001","19.0191","0.0018","90","","104.47","0.001","90","","6446.2","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl- κ<i>N</i>^3^)methane](nitrato-κ^2^<i>O</i>,<i>O</i>')nickel(II) nitrate","","- C26 H40 N10 Ni O6 -","- C26 H40 N10 Ni O6 -","- C208 H320 N80 Ni8 O48 -","8","1","HY2393","Gao, Ge; Mao, Shu-Lin; Qian, Xiao-Min; Luo, Yang-Hui; Li, Jin-Feng","Bis[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)methane](nitrato-κ^2^<i>O</i>,<i>O</i>')nickel(II) nitrate","Acta Crystallographica Section E","2011","67","2","m212","","10.1107/S1600536811001000","","","0.71073","MoKα","","0.1318","0.0526","","","0.0905","0.1018","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229095","8.72","0.005","20.102","0.004","13.483","0.005","90","","90","","90","","2363.4","1.7","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","<i>catena</i>-Poly[[bis[2-(2-pyridyl)-1-<i>H</i>-imidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^]cadmium]-μ-benzene-1,3-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C24 H18 Cd N6 O4 -","- C24 H18 Cd N6 O4 -","- C96 H72 Cd4 N24 O16 -","4","0.5","HY2397","Li, Chun-Jiang; Lu, Jing-Mei; Tu, Fan; Chen, Jing-Ying; Li, Yu-Jia","<i>catena</i>-Poly[[bis[2-(2-pyridyl)-1-<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]cadmium]-μ-benzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2011","67","2","m269","m270","10.1107/S1600536811001243","","","0.71073","MoKα","","0.0738","0.0344","","","0.0907","0.1003","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229096","14.3095","0.0015","18.782","0.002","6.6986","0.0007","90","","90","","90","","1800.3","0.3","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2- oxidobenzylidene)phenylalaninato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)","","- C18 H20 N O6 V -","- C18 H20 N O6 V -","- C72 H80 N4 O24 V4 -","4","1","HY2401","Bian, Lin; Li, Lianzhi","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2-oxidobenzylidene)phenylalaninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)","Acta Crystallographica Section E","2011","67","2","m274","","10.1107/S1600536811003163","","","0.71073","MoKα","","0.0804","0.0544","","","0.1146","0.1288","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229097","31.6739","0.0013","6.5824","0.0003","7.3204","0.0003","90","","90","","90","","1526.23","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","4-Aminopyridinium-3-sulfonate monohydrate","","- C5 H8 N2 O4 S -","- C5 H8 N2 O4 S -","- C40 H64 N16 O32 S8 -","8","1","IM2250","Zhu, Zhi-Biao; Gao, Shan; Ng, Seik Weng","4-Aminopyridinium-3-sulfonate monohydrate","Acta Crystallographica Section E","2011","67","2","o456","","10.1107/S1600536811002145","","","0.71073","MoKα","","0.0638","0.0436","","","0.1234","0.1372","","","","","","1.169","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229098","8.1399","0.0004","8.4106","0.0004","15.0274","0.0007","92.957","0.004","104.176","0.004","116.792","0.004","874.66","0.08","296","","296","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3- carboxamide monohydrate","","- C16 H16 N4 O5 S -","- C16 H16 N4 O5 S -","- C32 H32 N8 O10 S2 -","2","1","IM2255","Akkurt, Mehmet; Çelik, Ísmail; Demir, Hale; Özkırımlı, Sumru; Büyükgüngör, Orhan","<i>N</i>-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate","Acta Crystallographica Section E","2011","67","2","o293","o294","10.1107/S1600536811000481","","","0.71073","MoKα","","0.054","0.0434","","","0.1154","0.1212","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229099","9.6843","0.0019","7.2379","0.0014","11.484","0.002","90","","109.16","0.03","90","","760.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,2-Dibromoethenyl)thiophene","","- C6 H4 Br2 S -","- C6 H4 Br2 S -","- C24 H16 Br8 S4 -","4","1","IM2256","Clément, Sebastien; Guyard, Laurent; Knorr, Michael; Eckert, Prisca K.; Strohmann, Carsten","2-(2,2-Dibromoethenyl)thiophene","Acta Crystallographica Section E","2011","67","2","o481","","10.1107/S1600536811002522","","","0.71073","MoKα","","0.0627","0.0579","","","","0.1388","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229100","10.5085","0.0002","11.7016","0.0003","12.6086","0.0003","89.813","0.001","67.967","0.002","81.627","0.001","1419.65","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Chloro-4,6-bis(piperidin-1-yl)-1,3,5-triazine","","- C13 H20 Cl N5 -","- C13 H20 Cl N5 -","- C52 H80 Cl4 N20 -","4","2","IM2259","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","2-Chloro-4,6-bis(piperidin-1-yl)-1,3,5-triazine","Acta Crystallographica Section E","2011","67","2","o312","","10.1107/S1600536811000584","","","0.71073","MoKα","","0.111","0.0495","","","0.1136","0.1395","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229101","10.797","0.0009","8.093","0.0008","17.9888","0.0007","90","","110.151","0.01","90","","1475.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(4-aminobenzyl)oxalamide","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C64 H72 N16 O8 -","4","1","IS2647","Gonzalez-Gonzalez, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Franco-Hernández, Olivia M.; Padilla-Martínez, Itzia I.","<i>N</i>,<i>N</i>'-Bis(4-aminobenzyl)oxalamide","Acta Crystallographica Section E","2011","67","2","o398","","10.1107/S1600536811000882","","","0.71073","MoKα","","0.0632","0.0473","","","0.1279","0.1405","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229102","14.546","0.0006","14.546","0.0006","11.1686","0.0007","90","","90","","90","","2363.1","0.2","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(3-methyl-5-phenyl-1<i>H</i>-pyrazole- κ<i>N</i>^2^)copper(II)]","","- C40 H40 Cl6 Cu4 N8 O -","- C40 H40 Cl6 Cu4 N8 O -","- C80 H80 Cl12 Cu8 N16 O2 -","2","0.25","IS2649","He, Hongshan","Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(3-methyl-5-phenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]","Acta Crystallographica Section E","2011","67","2","m140","","10.1107/S1600536810053663","","","0.71073","MoKα","","0.1389","0.0665","","","0.1409","0.1937","","","","","","1.174","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229103","8.7614","0.0002","4.8234","0.0001","21.0758","0.0004","90","","112.07","0.001","90","","825.4","0.03","105","0.1","105","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Adeninium perchlorate","6-amino-9<i>H</i>-purin-1-ium perchlorate","","- C5 H6 Cl N5 O4 -","- C5 H6 Cl N5 O4 -","- C20 H24 Cl4 N20 O16 -","4","1","IS2652","Fun, Hoong-Kun; Goh, Jia Hao; Maity, Annada C.; Goswami, Shyamaprosad","Adeninium perchlorate","Acta Crystallographica Section E","2011","67","2","o427","","10.1107/S1600536811001528","","","0.71073","MoKα","","0.0532","0.0392","","","0.0944","0.1007","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229104","16.5226","0.0002","8.5717","0.0001","13.0944","0.0002","90","","97.236","0.001","90","","1839.75","0.04","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[2-(benzyloxycarbonylamino)propan-2-yl]-5-hydroxy-6-methoxypyrimidine-4-carboxylate","","- C18 H21 N3 O6 -","- C18 H21 N3 O6 -","- C72 H84 N12 O24 -","4","1","IS2653","Fun, Hoong-Kun; Sumangala, V.; Prasad, D. Jagadeesh; Poojary, Boja; Chantrapromma, Suchada","Methyl 2-[2-(benzyloxycarbonylamino)propan-2-yl]-5-hydroxy-6-methoxypyrimidine-4-carboxylate","Acta Crystallographica Section E","2011","67","2","o274","","10.1107/S160053681005467X","","","0.71073","MoKα","","0.0687","0.0539","","","0.1491","0.1642","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229105","5.7674","0.0011","21.196","0.004","10.0993","0.0015","90","","115.978","0.008","90","","1109.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxyquinolinium-2-carboxylate dihydrate","","- C11 H13 N O5 -","- C11 H13 N O5 -","- C44 H52 N4 O20 -","4","1","IS2654","Hemamalini, Madhukar; Fun, Hoong-Kun","4-Methoxyquinolinium-2-carboxylate dihydrate","Acta Crystallographica Section E","2011","67","2","o435","o436","10.1107/S1600536811001541","","","0.71073","MoKα","","0.086","0.0514","","","0.121","0.1398","","","","","","1.012","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229106","11.0898","0.0003","13.2171","0.0004","15.0265","0.0005","90","","114.539","0.002","90","","2003.58","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Ethyl-4-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C88 H96 N16 O8 -","8","2","IS2655","Loh, Wan-Sin; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Venkatesh, M.","5-Ethyl-4-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o403","o404","10.1107/S1600536811001589","","","0.71073","MoKα","","0.1053","0.0645","","","0.1464","0.1662","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229107","9.2804","0.0002","18.5492","0.0006","8.5147","0.0002","90","","101.051","0.002","90","","1438.57","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Isobutyl-<i>N</i>,<i>N</i>-dimethyl-1<i>H</i>- imidazo[4,5-<i>c</i>]quinolin-4-amine","","- C16 H20 N4 -","- C16 H20 N4 -","- C64 H80 N16 -","4","1","IS2656","Loh, Wan-Sin; Fun, Hoong-Kun; Kayarmar, Reshma; Viveka, S.; Nagaraja, G. K.","1-Isobutyl-<i>N</i>,<i>N</i>-dimethyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-amine","Acta Crystallographica Section E","2011","67","2","o405","","10.1107/S160053681100153X","","","0.71073","MoKα","","0.0915","0.055","","","0.1272","0.1456","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229108","5.4735","0.0002","9.1275","0.0003","13.3814","0.0005","98.076","0.001","101.787","0.001","96.269","0.001","641.35","0.04","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","4-Hydrazinyl-1-isobutyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinoline","","- C14 H17 N5 -","- C14 H17 N5 -","- C28 H34 N10 -","2","1","IS2657","Loh, Wan-Sin; Fun, Hoong-Kun; Kayarmar, Reshma; Viveka, S.; Nagaraja, G. K.","4-Hydrazinyl-1-isobutyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinoline","Acta Crystallographica Section E","2011","67","2","o406","","10.1107/S1600536811001553","","","0.71073","MoKα","","0.0493","0.04","","","0.1206","0.1372","","","","","","1.119","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229109","10.4117","0.0003","18.2365","0.0006","11.9019","0.0003","90","","117.809","0.002","90","","1998.85","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chlorobenzaldehyde (1-isobutyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-yl)hydrazone monohydrate","","- C21 H22 Cl N5 O -","- C21 H22 Cl N5 O -","- C84 H88 Cl4 N20 O4 -","4","1","IS2658","Loh, Wan-Sin; Fun, Hoong-Kun; Kayarmar, Reshma; Viveka, S.; Nagaraja, G. K.","4-Chlorobenzaldehyde (1-isobutyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-yl)hydrazone monohydrate","Acta Crystallographica Section E","2011","67","2","o407","o408","10.1107/S1600536811001577","","","0.71073","MoKα","","0.058","0.0448","","","0.1236","0.135","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229110","7.7501","0.0001","11.0052","0.0002","20.9834","0.0003","90","","90","","90","","1789.7","0.05","297","","297","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Benzyl <i>N</i>-{2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate","","- C19 H18 Cl N3 O3 -","- C19 H18 Cl N3 O3 -","- C76 H72 Cl4 N12 O12 -","4","1","IS2659","Fun, Hoong-Kun; Sumangala, V.; Nagaraja, G. K.; Poojary, Boja; Chantrapromma, Suchada","Benzyl <i>N</i>-{2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate","Acta Crystallographica Section E","2011","67","2","o420","o421","10.1107/S1600536811001504","","","0.71073","MoKα","","0.0517","0.0361","","","0.0794","0.0865","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229111","6.2583","0.0002","11.5136","0.0005","14.2248","0.0005","87.242","0.001","88.821","0.001","76.181","0.001","994.11","0.06","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","3-[5-(2,4-Dichlorophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-4-hydroxy-2<i>H</i>-chromen-2-one","","- C24 H16 Cl2 N2 O3 -","- C24 H16 Cl2 N2 O3 -","- C48 H32 Cl4 N4 O6 -","2","1","IS2660","Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3-[5-(2,4-Dichlorophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-4-hydroxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","2","o437","o438","10.1107/S1600536811001590","","","0.71073","MoKα","","0.0428","0.0382","","","0.101","0.1055","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229112","12.8866","0.0003","9.0955","0.0002","21.7772","0.0005","90","","99.589","0.001","90","","2516.84","0.1","100","0.1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Undecacarbonyl-1κ^3^<i>C</i>,2κ^4^<i>C</i>,3κ^4^<i>C</i>- (triethyl phosphite-1κ<i>P</i>)-<i>triangulo</i>-triruthenium(0)","","- C17 H15 O14 P Ru3 -","- C17 H15 O14 P Ru3 -","- C68 H60 O56 P4 Ru12 -","4","1","IS2661","bin Shawkataly, Omar; Alam, Mohd. Gulfam; Yeap, Chin Sing; Fun, Hoong-Kun","Undecacarbonyl-1κ^3^<i>C</i>,2κ^4^<i>C</i>,3κ^4^<i>C</i>-(triethyl phosphite-1κ<i>P</i>)-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2011","67","2","m220","","10.1107/S1600536811001450","","","0.71073","MoKα","","0.0513","0.0326","","","0.0699","0.0854","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229113","14.3445","0.0018","5.5425","0.0007","15.694","0.002","90","","114.494","0.002","90","","1135.5","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(10<i>H</i>-Phenothiazin-2-yl)ethanone","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","IS2662","Jasinski, Jerry P.; Pek, Albert E.; Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.","1-(10<i>H</i>-Phenothiazin-2-yl)ethanone","Acta Crystallographica Section E","2011","67","2","o430","o431","10.1107/S1600536811001851","","","0.71073","MoKα","","0.0484","0.0383","","","0.0981","0.1079","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229114","7.4825","0.0001","12.0378","0.0002","18.2083","0.0003","90","","99.097","0.001","90","","1619.44","0.04","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')chlorido(DL-threoninato-κ^2^<i>N</i>,<i>O</i>^1^)copper(II) monohydrate","","- C14 H18 Cl Cu N3 O4 -","- C14 H18 Cl Cu N3 O4 -","- C56 H72 Cl4 Cu4 N12 O16 -","4","1","IS2663","Tan, Yi-Han; Teoh, Siang-Guan; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')chlorido(<small>DL</small>-threoninato-κ^2^<i>N</i>,<i>O</i>^1^)copper(II) monohydrate","Acta Crystallographica Section E","2011","67","2","m262","","10.1107/S1600536811002583","","","0.71073","MoKα","","0.0402","0.0328","","","0.0808","0.0855","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229115","11.2399","0.0006","4.1032","0.0002","35.2497","0.0016","90","","91.525","0.004","90","","1625.12","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-3-{5-[(<i>E</i>)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}urea","","- C17 H13 Cl N4 O S -","- C17 H13 Cl N4 O S -","- C68 H52 Cl4 N16 O4 S4 -","4","1","IS2664","Zhan, Xiu-Huan; Wang, Zi-Yun","1-(4-Chlorophenyl)-3-{5-[(<i>E</i>)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}urea","Acta Crystallographica Section E","2011","67","2","o510","","10.1107/S1600536811002479","","","0.71073","MoKα","","0.1264","0.0681","","","0.1318","0.1538","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229116","17.6157","0.0008","9.9269","0.0004","20.471","0.0008","90","","124.592","0.003","90","","2946.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2- pyridyl)ethylidene]ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>""}manganese(II)","","- C11 H17 Cl2 Mn N3 -","- C11 H17 Cl2 Mn N3 -","- C88 H136 Cl16 Mn8 N24 -","8","2","IS2666","Ikmal Hisham, Nurul Azimah; Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}manganese(II)","Acta Crystallographica Section E","2011","67","2","m229","","10.1107/S1600536811002030","","","0.71073","MoKα","","0.0381","0.027","","","0.0587","0.0629","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229117","8.0248","0.0001","12.5674","0.0002","12.877","0.0002","90","","96.732","0.001","90","","1289.7","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide","","- C14 H11 N3 O5 -","- C14 H11 N3 O5 -","- C56 H44 N12 O20 -","4","1","IS2667","Mohd Lair, Nooraziah; Khaledi, Hamid; Mohd Ali, Hapipah","(<i>E</i>)-<i>N</i>'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide","Acta Crystallographica Section E","2011","67","2","o459","","10.1107/S1600536811002224","","","0.71073","MoKα","","0.0415","0.0337","","","0.0919","0.0993","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229118","20.459","0.004","7.1958","0.0014","11.249","0.002","90","","90.53","0.03","90","","1656","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyridinium benzoate","","- C19 H14 N4 O3 -","- C19 H14 N4 O3 -","- C76 H56 N16 O12 -","4","1","JH2244","Han, Meng Ting; Zhang, Yuan","4-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyridinium benzoate","Acta Crystallographica Section E","2011","67","2","o447","","10.1107/S1600536811001358","","","0.71073","MoKα","","0.1065","0.0587","","","0.1445","0.1709","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229119","9.727","0.002","29.896","0.007","16.366","0.004","90","","90.745","0.004","90","","4758.8","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>meso</i>-5,5'-Bis[(4-fluorophenyl)diazenyl]-2,2'-(pentane-3,3-diyl)di- 1<i>H</i>-pyrrole","","- C25 H24 F2 N6 -","- C25 H24 F2 N6 -","- C200 H192 F16 N48 -","8","2","JH2246","Li, Boyang; Zhang, Guilong; Sun, Shipeng; Yin, Zhenming","<i>meso</i>-5,5'-Bis[(4-fluorophenyl)diazenyl]-2,2'-(pentane-3,3-diyl)di-1<i>H</i>-pyrrole","Acta Crystallographica Section E","2011","67","2","o247","","10.1107/S1600536810053535","","","0.71073","MoKα","","0.0806","0.0479","","","0.1179","0.1404","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229120","7.056","0.0003","10.2859","0.0006","10.7234","0.0006","87.572","0.003","73.326","0.003","79.876","0.003","733.92","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[4-(2-Morpholinoethoxy)phenyl]acetamide monohydrate","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C28 H44 N4 O8 -","2","1","JH2248","Gurumoorthy, Anuradha; Gopalsamy, Vasuki; K, Ramamurthi.; Piplani, Poonam; Malik, Ruchi","<i>N</i>-[4-(2-Morpholinoethoxy)phenyl]acetamide monohydrate","Acta Crystallographica Section E","2011","67","2","o262","","10.1107/S1600536810053675","","","0.71073","MoKα","","0.062","0.0444","","","0.1235","0.1384","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229121","9.8137","0.0003","17.8813","0.0006","26.2679","0.0007","90","","90.535","0.001","90","","4609.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) dichloridocopper(II)","","- C24 H16 Cl3 Cu2 N4 -","- C24 H16 Cl3 Cu2 N4 -","- C192 H128 Cl24 Cu16 N32 -","8","2","JH2249","Meng, Qingfen; Chen, Yanmei; Li, Bing; Chen, Sanping; Gao, Shengli","Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) dichloridocopper(II)","Acta Crystallographica Section E","2011","67","2","m226","","10.1107/S1600536810054073","","","0.71073","MoKα","","0.0658","0.0375","","","0.0781","0.0896","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229122","6.2193","0.0002","8.8411","0.0004","9.9699","0.0004","90","","90.791","0.001","90","","548.15","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(piperidin-1-yl)methanone","","- C11 H20 N2 O -","- C11 H20 N2 O -","- C22 H40 N4 O2 -","2","1","JH2250","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","Bis(piperidin-1-yl)methanone","Acta Crystallographica Section E","2011","67","2","o397","","10.1107/S1600536811001334","","","0.71073","MoKα","","0.0303","0.0297","","","0.0804","0.081","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229123","8.997","0.0007","5.3258","0.0004","20.6307","0.0017","90","","90","","90","","988.55","0.13","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-[4-(2-Chloroethoxy)-2-hydroxyphenyl]ethanone","","- C10 H11 Cl O3 -","- C10 H11 Cl O3 -","- C40 H44 Cl4 O12 -","4","1","JH2251","Wang, Li; Jiao, Shuo; Shi, Peng; Wei, Ge-Hong","1-[4-(2-Chloroethoxy)-2-hydroxyphenyl]ethanone","Acta Crystallographica Section E","2011","67","2","o461","","10.1107/S1600536810054632","","","0.71073","MoKα","","0.0867","0.0521","","","0.1228","0.1412","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229124","10.6844","0.001","8.47","0.0007","15.3022","0.0016","90","","95.266","0.003","90","","1379","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)methanone","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","JH2253","Kargar, Hadi; Kia, Reza; Moghadamm, Majid; Tahir, Muhammad Nawaz","(Furan-2-yl)(5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)methanone","Acta Crystallographica Section E","2011","67","2","o367","","10.1107/S1600536811000948","","","0.71073","MoKα","","0.0743","0.0417","","","0.0911","0.1058","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229125","13.1599","0.0004","7.8179","0.0002","14.483","0.0005","90","","110.566","0.001","90","","1395.09","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,5-Dichloro-<i>N</i>-(4-methoxyphenyl)benzensulfonamide","","- C13 H11 Cl2 N O3 S -","- C13 H11 Cl2 N O3 S -","- C52 H44 Cl8 N4 O12 S4 -","4","1","JH2254","Khan, Islam Ullah; Bibi, Sajida; Mariam, Irfana; Sharif, Shahzad; Kang, Sung Kwon","2,5-Dichloro-<i>N</i>-(4-methoxyphenyl)benzensulfonamide","Acta Crystallographica Section E","2011","67","2","o369","","10.1107/S1600536811000936","","","0.71073","MoKα","","","0.0394","","","","0.1084","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229126","21.384","0.005","6.7994","0.0016","13.096","0.003","90","","96.796","0.003","90","","1890.8","0.8","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,3,4-tri-<i>O</i>-acetyl-β-L-arabinopyranosyl trichloroacetimidate","","- C13 H16 Cl3 N O8 -","- C13 H16 Cl3 N O8 -","- C52 H64 Cl12 N4 O32 -","4","1","JH2255","Sun, Zu-Li","2,3,4-Tri-<i>O</i>-acetyl-β-<small>L</small>-arabinopyranosyl trichloroacetimidate","Acta Crystallographica Section E","2011","67","2","o454","","10.1107/S1600536811002005","","","0.71073","MoKα","","0.0411","0.0365","","","0.0834","0.0865","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229127","8.119","0.008","10.173","0.006","10.814","0.006","108.672","0.015","102.567","0.016","91.46","0.016","821.5","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-benzyl-3-(4-fluorophenyl)-1<i>H</i>-pyrazole-5-carboxylate","","- C19 H17 F N2 O2 -","- C19 H17 F N2 O2 -","- C38 H34 F2 N4 O4 -","2","1","JH2256","Han, Zhe; Zheng, Hong-Liang; Tian, Xue-Lei","Ethyl 1-benzyl-3-(4-fluorophenyl)-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2011","67","2","o511","","10.1107/S1600536811002340","","","0.71073","MoKα","","0.1052","0.084","","","0.2326","0.2451","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229128","7.666","0.004","10.16","0.006","11.381","0.007","83.991","0.009","87.466","0.009","85.47","0.01","878.2","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 1-benzyl-3-(4-methylphenyl)-1<i>H</i>-pyrazole-5-carboxylate","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","JH2257","Li, Yu-Qin; Jia, Bao-Xiu; Xiao, Yu-Liang; Guo, Feng-Guang","Ethyl 1-benzyl-3-(4-methylphenyl)-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2011","67","2","o468","","10.1107/S1600536811002339","","","0.71073","MoKα","","0.0864","0.0661","","","0.1967","0.2201","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229129","7.8831","0.0001","15.2481","0.0003","10.3593","0.0002","90","","93.056","0.001","90","","1243.44","0.04","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Diallyl-5-chloro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C52 H52 Cl4 N8 O4 -","4","1","JH2259","Ouzidan, Younes; Kandri Rodi, Y.; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","1,3-Diallyl-5-chloro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o520","","10.1107/S1600536811003035","","","0.71073","MoKα","","0.0644","0.0494","","","0.1412","0.1558","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229130","4.8123","0.0011","11.382","0.003","12.637","0.003","94.952","0.004","100.53","0.004","94.298","0.004","675.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-Ethyl 2-amino-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propanoate","","- C12 H17 N O5 S -","- C12 H17 N O5 S -","- C24 H34 N2 O10 S2 -","2","1","KP2292","Hu, Hao; Chen, Yue-Hu; Qian, Shao-Song; Kang, Shou-Kai","<i>rac</i>-Ethyl 2-amino-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propanoate","Acta Crystallographica Section E","2011","67","2","o258","","10.1107/S1600536810052827","","","0.71073","MoKα","","0.0764","0.0604","","","0.1643","0.1794","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229131","12.9464","0.0003","13.8613","0.0003","16.6155","0.0005","90","","118.028","0.002","90","","2632.02","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[(Furan-2-ylmethylidene)amino]-1-(4-methylphenyl)thiourea","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C104 H104 N24 O8 S8 -","8","2","KP2296","Zhang, Yan-Ling; Zhang, Fu-Juan; Xu, Zhi-Hong; Yang, Feng-Ling","3-[(Furan-2-ylmethylidene)amino]-1-(4-methylphenyl)thiourea","Acta Crystallographica Section E","2011","67","2","o275","","10.1107/S1600536811000110","","","1.54184","CuKα","","0.0535","0.0434","","","0.1334","0.1467","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229132","59.563","0.012","6.8793","0.0014","12.831","0.002","90","","94.402","0.004","90","","5242","1.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[4-(3-{[5-(4-Chlorophenyl)furan-2-yl]methylideneamino}-2,5- dioxoimidazolidin-1-yl)butyl]-4-methylpiperazine-1,4-diium dichloride hemihydrate","","- C23 H31 Cl3 N5 O3.5 -","- C23 H31 Cl3 N5 O3.5 -","- C184 H248 Cl24 N40 O28 -","8","1","KP2297","Liang, Yan-Shu; Mu, Shuai; Liu, Ying; Liu, Deng-Ke","1-[4-(3-{[5-(4-Chlorophenyl)furan-2-yl]methylideneamino}-2,5-dioxoimidazolidin-1-yl)butyl]-4-methylpiperazine-1,4-diium dichloride hemihydrate","Acta Crystallographica Section E","2011","67","2","o320","","10.1107/S1600536811000560","","","0.71073","MoKα","","0.113","0.0451","","","0.0853","0.1225","","","","","","0.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229133","5.8585","0.0014","12.368","0.003","15.852","0.004","73.17","0.006","88.967","0.009","81.761","0.007","1087.7","0.5","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","(1<i>SR</i>,2<i>RS</i>,3<i>SR</i>,5<i>SR</i>,6<i>RS</i>)-6-[(<i>Z</i>)- 1-Acetoxy-2-phenylethenyl]-3-ethoxy-2-phenylbicyclo[3.1.0]hexan-1-yl acetate","","- C26 H28 O5 -","- C26 H28 O5 -","- C52 H56 O10 -","2","1","KP2298","Hu, Wen-Xiang; Xu, Gao; Wei, Guo-Qiang","(1<i>SR</i>,2<i>RS</i>,3<i>SR</i>,5<i>SR</i>,6<i>RS</i>)-6-[(<i>Z</i>)-1-Acetoxy-2-phenylethenyl]-3-ethoxy-2-phenylbicyclo[3.1.0]hexan-1-yl acetate","Acta Crystallographica Section E","2011","67","2","o512","","10.1107/S1600536811001760","","","0.71073","MoKα","","0.0743","0.0482","","","0.0728","0.0756","","","","","","0.938","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229134","6.6181","0.0007","11.8477","0.0011","22.386","0.002","90","","90","","90","","1755.3","0.3","299","","299","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trisilver citrate","","- C6 H5 Ag3 O7 -","- C6 H5 Ag3 O7 -","- C48 H40 Ag24 O56 -","8","1","KP2301","Fischer, Andreas","Trisilver(I) citrate","Acta Crystallographica Section E","2011","67","2","m255","","10.1107/S160053681100239X","","","0.71073","MoKα","","0.061","0.032","","","0.045","0.051","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229135","7.462","0.0015","13.738","0.003","8.033","0.0016","90","","112.27","0.03","90","","762.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaqua(pyridazine-3-carboxylato- κ^2^<i>N</i>^2^,<i>O</i>)lithium","","- C5 H7 Li N2 O4 -","- C5 H7 Li N2 O4 -","- C20 H28 Li4 N8 O16 -","4","1","KP2302","Starosta, Wojciech; Leciejewicz, Janusz","<i>trans</i>-Diaqua(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)lithium","Acta Crystallographica Section E","2011","67","2","m202","","10.1107/S1600536811000493","","","0.71073","MoKα","","0.1104","0.0469","","","0.1245","0.1495","","","","","","0.993","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229136","9.11","0.01","17.92","0.02","15.95","0.01","90","","100.43","0.01","90","","2561","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxamide","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C112 H152 N8 O24 -","8","2","KP2304","Brzezinski, Krzysztof; Dauter, Zbigniew; Baj, Aneta; Wałejko, Piotr; Witkowski, Stanisław","<i>rac</i>-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxamide from synchrotron data","Acta Crystallographica Section E","2011","67","2","o503","o504","10.1107/S1600536811002807","","","0.5904","synchrotron","","0.0615","0.0495","","","0.1399","0.1469","","","","","","1.077","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229137","7.2769","0.0003","13.7998","0.0006","7.3097","0.0003","90","","115.041","0.002","90","","665.04","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Trifluorobenzoic acid","","- C7 H3 F3 O2 -","- C7 H3 F3 O2 -","- C28 H12 F12 O8 -","4","1","KP2305","Betz, Richard; Gerber, Thomas","2,4,6-Trifluorobenzoic acid","Acta Crystallographica Section E","2011","67","2","o539","","10.1107/S160053681100345X","","","0.71073","MoKα","","0.0459","0.0381","","","0.1","0.1063","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229138","11.719","0.002","13.395","0.003","7.5154","0.0015","90","","105.04","0.03","90","","1139.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2-Fluorobenzylidene)furan-2-carbohydrazide","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","1","LH5184","Jiang, Jin-He","(<i>E</i>)-<i>N</i>'-(2-Fluorobenzylidene)furan-2-carbohydrazide","Acta Crystallographica Section E","2011","67","2","o240","","10.1107/S1600536810052980","","","0.71073","MoKα","","0.0979","0.0433","","","0.1108","0.1575","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229139","12.958","0.0019","12.7242","0.0019","14.683","0.002","90","","112.801","0.002","90","","2231.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[18]crown-6 adduct of dimethylindium trifluoromethanesulfonate","(1,4,7,10,13,16-Hexaoxacyclooctadecane)dimethylindium(III) trifluoromethanesulfonate","","- C15 H30 F3 In O9 S -","- C15 H30 F3 In O9 S -","- C60 H120 F12 In4 O36 S4 -","4","1","LH5188","Cooper, Benjamin F. T.; Macdonald, Charles L. B.","(1,4,7,10,13,16-Hexaoxacyclooctadecane)dimethylindium(III) trifluoromethanesulfonate","Acta Crystallographica Section E","2011","67","2","m233","m234","10.1107/S1600536811001899","","","0.71073","MoKα","","0.0612","0.0365","","","0.0693","0.0774","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229140","20.7342","0.0006","11.132","0.0003","23.1608","0.0006","90","","90","","90","","5345.8","0.3","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-Isobutyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C208 H256 N32 O16 S16 -","16","2","LH5194","Shahani, Tara; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Sarveswari, S.","3-Isobutyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section E","2011","67","2","o463","o464","10.1107/S1600536811002170","","","0.71073","MoKα","","0.0983","0.0624","","","0.1172","0.1308","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229141","8.959","0.0018","10.038","0.002","13.616","0.003","92.71","0.03","105.99","0.03","91.67","0.03","1174.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,2-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","2","LH5196","Zeng, Wu-Lan","2,2-Dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2011","67","2","o478","","10.1107/S1600536811002285","","","0.71073","MoKα","","0.0722","0.0444","","","0.1299","0.1563","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229142","12.1842","0.0002","9.0281","0.0001","26.6191","0.0004","90","","97.702","0.001","90","","2901.69","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-3-cyclohexylsulfinyl-2-methyl-1-benzofuran","","- C15 H17 Br O2 S -","- C15 H17 Br O2 S -","- C120 H136 Br8 O16 S8 -","8","2","LH5201","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Bromo-3-cyclohexylsulfinyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","2","o527","","10.1107/S1600536811003242","","","0.71073","MoKα","","0.0579","0.0353","","","0.0805","0.0881","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229143","11.7217","0.0007","16.1885","0.0009","18.413","0.001","83.441","0.003","72.208","0.003","71.337","0.003","3151.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[μ-2-(4-Hydroxyphenyl)acetato]-κ^3^<i>O</i>:<i>O</i>,<i>O</i>'; κ^3^<i>O</i>,<i>O</i>':<i>O</i>'-bis{aqua(4,4'-bipyridine-κ<i>N</i>)bis[2- (4-hydroxyphenyl)acetato-κ^2^<i>O</i>,<i>O</i>']holmium(III)} monohydrate","","- C68 H64 Ho2 N4 O21 -","- C68 H64 Ho2 N4 O21 -","- C136 H128 Ho4 N8 O42 -","2","1","LX2179","Liu, Jia-Lu; Liu, Jian-Feng; Zhao, Guo-Liang","[μ-2-(4-Hydroxyphenyl)acetato]-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>'-bis{aqua(4,4'-bipyridine-κ<i>N</i>)bis[2-(4-hydroxyphenyl)acetato-κ^2^<i>O</i>,<i>O</i>']holmium(III)} monohydrate","Acta Crystallographica Section E","2011","67","2","m191","m192","10.1107/S1600536811001115","","","0.71073","MoKα","","0.0241","0.0192","","","0.0478","0.0506","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229144","6.4808","0.0013","12.034","0.002","12.787","0.004","90","","116.24","0.02","90","","894.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[5-(1-oxidopyridin-1-ium-2-yl)-1,2,3,4-tetrazolido]manganese(II) dihydrate","","- C12 H16 Mn N10 O6 -","- C12 H16 Mn N10 O6 -","- C24 H32 Mn2 N20 O12 -","2","0.5","LX2180","Gao, Feng; Yao, Chang-Sheng; Lu, Zai-Sheng; Shi, Yan-Hui","Diaquabis[5-(1-oxidopyridin-1-ium-2-yl)-1,2,3,4-tetrazolido]manganese(II) dihydrate","Acta Crystallographica Section E","2011","67","2","m213","","10.1107/S1600536811001620","","","0.71073","MoKα","","0.1244","0.0777","","","0.1188","0.1325","","","","","","1.139","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229145","9.0189","0.0005","10.1588","0.0007","11.214","0.0008","104.267","0.006","92.278","0.005","101.256","0.005","972.42","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,5-Dicarboxynaphthalene-1,8-dicarboxylic anhydride‒1,10-phenanthroline (1/1)","","- C26 H14 N2 O7 -","- C26 H14 N2 O7 -","- C52 H28 N4 O14 -","2","1","LX2183","Wu, Xiang-Yang; Xu, Xiang-Jun; Wang, Xiang-Cheng","4,5-Dicarboxynaphthalene-1,8-dicarboxylic anhydride‒1,10-phenanthroline (1/1)","Acta Crystallographica Section E","2011","67","2","o474","","10.1107/S1600536811002492","","","1.54184","CuKα","","0.0661","0.0558","","","0.1505","0.1592","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229146","12.6932","0.0013","15","0.0014","23.037","0.002","90","","94.04","0.002","90","","4375.3","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","6-Cyclohexyl-6,7-dihydrodibenzo[<i>c</i>,<i>f</i>][1,5]azabismocin- 12(5<i>H</i>)-yl(N→Bi) trifluoromethanesulfonate","","- C21 H23 Bi F3 N O3 S -","- C21 H23 Bi F3 N O3 S -","- C168 H184 Bi8 F24 N8 O24 S8 -","8","1","LX2186","Tan, Nianyuan; Zhang, Xiaowen","6-Cyclohexyl-6,7-dihydrodibenzo[<i>c</i>,<i>f</i>][1,5]azabismocin-12(5<i>H</i>)-yl(N\ρightarrow Bi) trifluoromethanesulfonate","Acta Crystallographica Section E","2011","67","2","m252","","10.1107/S1600536811002510","","","0.71073","MoKα","","0.0612","0.0478","","","0.1106","0.1158","","","","","","0.955","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229147","10.575","0.005","10.575","0.005","10.575","0.005","90","","90","","90","","1182.6","1","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","nickel bismuth boron (20.56/2.44/6)","","- B6 Bi2.44 Ni20.56 -","- B6 Bi2.438 Ni20.561 -","- B24 Bi9.752 Ni82.244 -","4","0.0208333","MG2107","Berthebaud, David; Sato, Akira; Mori, Takao","Nickel bismuth boride, Ni~23-<i>x~</i>Bi~<i>x~</i>B~6~ [<i>x</i> = 2.44(1)]","Acta Crystallographica Section E","2011","67","2","i17","","10.1107/S1600536811000894","","","0.71073","MoKα","","0.0196","0.0195","","","","0.0445","","","","","","1.163","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229148","10.412","0.002","10.452","0.002","10.009","0.004","90","","90","","90","","1089.2","0.5","298","2","298","2","","","","","","","","6","C m c m","-C 2c 2","63","","Potassium sodium silver tetraniobium nonaoxide arsenate","","- Ag0.34 As K0.12 Na0.54 Nb4 O13 -","- Ag0.346 As K0.118 Na0.536 Nb4 O13 -","- Ag1.384 As4 K0.472 Na2.144 Nb16 O52 -","4","0.25","MG2111","Chérif, Saïda Fatma; Zid, Mohamed Faouzi; Driss, Ahmed","K~0.12~Na~0.54~Ag~0.34~Nb~4~O~9~AsO~4~","Acta Crystallographica Section E","2011","67","2","i10","","10.1107/S1600536811000055","","","0.71073","MoKα","","0.0143","0.0134","","","0.0343","0.0347","","","","","","1.139","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229149","4.7088","0.0005","21.965","0.002","14.5982","0.0015","90","","90","","90","","1509.9","0.3","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","","Pentaeuropium dicadmium pentaantimonide oxide","","- Cd2 Eu5 O Sb5 -","- Cd2 Eu5 O Sb5 -","- Cd8 Eu20 O4 Sb20 -","4","0.25","MG2112","Saparov, Bayrammurad; Bobev, Svilen","Pentaeuropium dicadmium pentaantimonide oxide, Eu~5~Cd~2~Sb~5~O","Acta Crystallographica Section E","2011","67","2","i11","","10.1107/S1600536811000274","","","0.71073","MoKα","","0.0212","0.0195","","","0.0431","0.044","","","","","","1.14","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229150","4.4891","0.0018","12.484","0.005","6.894","0.003","90","","106.31","0.007","90","","370.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Praseodymium(III) sulfate hydroxide","","- H O5 Pr S -","- H O5 Pr S -","- H4 O20 Pr4 S4 -","4","1","MG2113","Wang, Xiao-Juan; Cheng, Jian-Wen","Praseodymium(III) sulfate hydroxide, Pr(SO~4~)(OH)","Acta Crystallographica Section E","2011","67","2","i12","","10.1107/S1600536811000298","","","0.71073","MoKα","","","0.0329","","","0.079","0.0798","","","","","","1.087","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229151","11.324","0.0012","13.51","0.0015","12.587","0.0014","90","","99.149","0.002","90","","1901.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 1-formamido-4-oxo-2,6-diphenylcyclohexanecarboxylate","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","NC2214","Zhang, Dawei; Xu, Xianxiu; Liu, Qun","Ethyl 1-formamido-4-oxo-2,6-diphenylcyclohexanecarboxylate","Acta Crystallographica Section E","2011","67","2","o401","","10.1107/S1600536811000985","","","0.71069","MoKα","","0.0656","0.0415","","","0.1027","0.1163","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229152","5.275","0.0004","9.8941","0.001","11.6529","0.0012","99.735","0.002","98.242","0.001","92.248","0.001","591.98","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-[4-(4-Chlorobutoxy)-2-hydroxyphenyl]ethanone","","- C12 H15 Cl O3 -","- C12 H15 Cl O3 -","- C24 H30 Cl2 O6 -","2","1","NC2215","Wang, Li; Zhan, Jun-Peng; Liang, Jian-Qiang; Li, Zhe-Fei; Wei, Ge-Hong","1-[4-(4-Chlorobutoxy)-2-hydroxyphenyl]ethanone","Acta Crystallographica Section E","2011","67","2","o462","","10.1107/S1600536811002169","","","0.71073","MoKα","","0.0607","0.0401","","","0.0924","0.1079","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229153","11.742","0.004","7.712","0.003","18.366","0.006","90","","102.12","0.007","90","","1626","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'',N''-dimethylphosphoric triamide","","- C14 H30 N3 O P -","- C14 H30 N3 O P -","- C56 H120 N12 O4 P4 -","4","1","NC2217","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Azarkamanzad, Zahra; Ebrahimi Valmoozi, Ali Asghar","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'',<i>N</i>''-dimethylphosphoric triamide","Acta Crystallographica Section E","2011","67","2","o502","","10.1107/S160053681100287X","","","0.71073","MoKα","","0.1491","0.0719","","","0.1554","0.1985","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229154","9.3277","0.0009","25.829","0.0008","7.9519","0.0006","90","","98.914","0.003","90","","1892.7","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(2,4-Dimethoxyanilino)-8-methoxydibenz[<i>b</i>,<i>e</i>]oxepin- 11(6<i>H</i>)-one","6-[(2,4-dimethoxyphenyl)amino]-13-methoxy-9-oxatricyclo[9.4.0.0^3,8^]pentadeca- 1(11),3(8),4,6,12,14-hexaen-2-one","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","NC2218","Baur, Benjamin; Schollmeyer, Dieter; Laufer, Stefan","3-(2,4-Dimethoxyanilino)-8-methoxydibenz[<i>b</i>,<i>e</i>]oxepin-11(6<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o487","","10.1107/S1600536811002637","","","1.54178","CuKα","","0.052","0.042","","","0.1048","0.1111","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229155","7.886","0.002","9.576","0.003","13.531","0.004","86.59","0.009","81.657","0.007","85.926","0.008","1007.2","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","4-{4-Methyl-2-[(methyl)(2-methylphenyl)amino]-1,3-thiazol-5-yl}- <i>N</i>-(3-methylphenyl)pyrimidin-2-amine","","- C23 H23 N5 S -","- C23 H23 N5 S -","- C46 H46 N10 S2 -","2","1","NG5078","Shi, Hai-Bo; Xu, Feng; Li, Hai-Bo; Hu, Wei-Xiao","4-{4-Methyl-2-[(methyl)(2-methylphenyl)amino]-1,3-thiazol-5-yl}-<i>N</i>-(3-methylphenyl)pyrimidin-2-amine","Acta Crystallographica Section E","2011","67","2","o259","","10.1107/S1600536810053560","","","0.71073","MoKα","","0.0673","0.053","","","0.1364","0.1454","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229156","7.9679","0.0015","9.4042","0.0019","14.166","0.003","85.421","0.006","76.727","0.005","86.002","0.006","1028.4","0.4","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","4-{2-[(3,4-Dichlorophenyl)(methyl)amino]-4-methyl-1,3-thiazol-5-yl}- <i>N</i>-(3-methylphenyl)pyrimidin-2-amine","","- C22 H19 Cl2 N5 S -","- C22 H19 Cl2 N5 S -","- C44 H38 Cl4 N10 S2 -","2","1","NG5079","Li, Hai-Bo; Shi, Hai-Bo; Hu, Wei-Xiao","4-{2-[(3,4-Dichlorophenyl)(methyl)amino]-4-methyl-1,3-thiazol-5-yl}-<i>N</i>-(3-methylphenyl)pyrimidin-2-amine","Acta Crystallographica Section E","2011","67","2","o260","","10.1107/S1600536810053547","","","0.71073","MoKα","","0.0424","0.0332","","","0.0869","0.0907","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229157","10.28","0.003","12.413","0.002","17.671","0.004","74.29","0.009","87.96","0.01","68.281","0.007","2011.3","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Methoxyphenyl)-4-{4-methyl-2-[(methyl)(4-methylphenyl)amino]- 1,3-thiazol-5-yl}pyrimidin-2-amine","","- C23 H23 N5 O S -","- C23 H23 N5 O S -","- C92 H92 N20 O4 S4 -","4","2","NG5080","Shi, Hai-Bo; Li, Hai-Bo; Hu, Wei-Xiao","<i>N</i>-(3-Methoxyphenyl)-4-{4-methyl-2-[(methyl)(4-methylphenyl)amino]-1,3-thiazol-5-yl}pyrimidin-2-amine","Acta Crystallographica Section E","2011","67","2","o261","","10.1107/S1600536810053559","","","0.71073","MoKα","","0.0652","0.0434","","","0.1054","0.1153","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229158","14.365","0.008","4.421","0.003","17.086","0.01","90","","110.91","0.05","90","","1013.6","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Furan-2-yl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C13 H8 O4 -","- C13 H8 O4 -","- C52 H32 O16 -","4","1","NG5090","Wera, Michał; Pivovarenko, Vasyl G.; Sikorski, Artur; Lis, Tadeusz; Błażejowski, Jerzy","2-(Furan-2-yl)-3-hydroxy-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2011","67","2","o266","","10.1107/S1600536810053596","","","0.71073","MoKα","","0.0541","0.0366","","","0.0854","0.0923","","","","","","1.104","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229159","25.109","0.0009","9.4317","0.0003","14.9609","0.0004","90","","108.683","0.002","90","","3356.35","0.19","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","11,12-Dihydroxy-10,6,8,11,13-icetexapentane-1-one","14,15-dihydroxy-7,7-dimethyl-13-(propan-2-yl)tricyclo[9.4.0.0^3,8^]pentadeca- 1(11),3(8),9,12,14-pentaen-4-one","","- C20 H24 O3 -","- C20 H24 O3 -","- C160 H192 O24 -","8","1","NG5091","Razak, Ibrahim Abdul; Chantrapromma, Suchada; Salae, Abdul Wahab; Fun, Hoong-Kun","11,12-Dihydroxy-10,6,8,11,13-icetexapentan-1-one","Acta Crystallographica Section E","2011","67","2","o256","o257","10.1107/S1600536810053754","","","0.71073","MoKα","","0.0507","0.0421","","","0.118","0.1253","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229160","17.3718","0.0019","5.9561","0.0008","27.727","0.003","90","","114.762","0.005","90","","2605.1","0.5","100","","100","","","","","","","","","3","P 1 c 1","P -2yc","7","","Tris(biphenyl-4-yl)arsane","","- C36 H27 As -","- C36 H27 As -","- C144 H108 As4 -","4","2","NG5092","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun","Tris(biphenyl-4-yl)arsane","Acta Crystallographica Section E","2011","67","2","o457","o458","10.1107/S160053681100211X","","","0.71073","MoKα","","0.0834","0.0445","","","0.0794","0.0926","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229161","8.2991","0.0005","7.405","0.0005","40.782","0.003","90","","95.189","0.001","90","","2496","0.3","100","0.1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis[bis(2-methylphenyl)phosphanyl]methane","","- C29 H30 P2 -","- C29 H30 P2 -","- C116 H120 P8 -","4","1","NG5093","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Hafiz Malik, H. A.; Yeap, Chin Sing; Fun, Hoong-Kun","Bis[bis(2-methylphenyl)phosphanyl]methane","Acta Crystallographica Section E","2011","67","2","o289","","10.1107/S1600536810054279","","","0.71073","MoKα","","0.0704","0.0543","","","0.1287","0.137","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229162","10.906","0.004","12.706","0.004","22.467","0.008","81.249","0.007","82.529","0.007","79.301","0.007","3006.9","1.8","100","0.1","100","","","","","","","","","5","P -1","-P 1","2","","[μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(biphenyl-4-yl)arsane- 3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0)","","- C70 H49 As3 O9 Ru3 -","- C70 H49 As3 O9 Ru3 -","- C140 H98 As6 O18 Ru6 -","2","1","NG5094","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(biphenyl-4-yl)arsane-3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2011","67","2","m214","m215","10.1107/S1600536811000237","","","0.71073","MoKα","","0.0538","0.0367","","","0.1004","0.1254","","","","","","1.109","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229163","10.8435","0.0007","12.6134","0.0008","22.4695","0.0015","81.029","0.001","82.769","0.001","79.265","0.001","2967.6","0.3","100","0.1","100","","","","","","","","","6","P -1","-P 1","2","","[μ-Bis(diphenylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(biphenyl-4-yl)arsane- 3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0)","","- C70 H49 As O9 P2 Ru3 -","- C70 H49 As O9 P2 Ru3 -","- C140 H98 As2 O18 P4 Ru6 -","2","1","NG5095","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(diphenylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(biphenyl-4-yl)arsane-3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2011","67","2","m216","m217","10.1107/S160053681100078X","","","0.71073","MoKα","","0.043","0.03","","","0.0739","0.0849","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229164","19.2145","0.0014","11.3371","0.0008","10.3399","0.0007","90","","90","","90","","2252.4","0.3","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","<i>rac</i>-(<i>rel</i>-1<i>R</i>,2<i>R</i>,4<i>S</i>)- Spiro[bicyclo[2.2.1]heptane-2,3'-indol]-2'-amine","","- C14 H16 N2 -","- C14 H16 N2 -","- C112 H128 N16 -","8","1","NG5096","Lemmerer, Andreas; Michael, Joseph P.","<i>rac</i>-(<i>rel</i>-1<i>R</i>,2<i>R</i>,4<i>S</i>)-Spiro[bicyclo[2.2.1]heptane-2,3'-indol]-2'-amine","Acta Crystallographica Section E","2011","67","2","o394","","10.1107/S1600536811001048","","","0.71073","MoKα","","","0.0461","","","","0.1177","","","","","","1.042","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229165","26.3402","0.0013","3.8906","0.0002","27.5826","0.0017","90","","113.892","0.005","90","","2584.4","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-3-(3-Bromo-4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C120 H96 Br8 N8 O16 -","8","1","NG5098","Jasinski, Jerry P.; Butcher, Ray J.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-3-(3-Bromo-4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","2","o352","o353","10.1107/S1600536811000353","","","1.54178","CuKα","","0.0418","0.0401","","","0.113","0.1148","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229166","10.2359","0.0003","16.0648","0.0003","9.9703","0.0003","90","","117.154","0.004","90","","1458.79","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzylideneamino-3-(4-methylphenyl)thiourea","","- C15 H15 N3 S -","- C15 H15 N3 S -","- C60 H60 N12 S4 -","4","1","NG5104","Zhang, Yan-Ling; Xu, Zhi-Hong; Zhang, Fu-Juan; Yang, Feng-Ling","1-Benzylideneamino-3-(4-methylphenyl)thiourea","Acta Crystallographica Section E","2011","67","2","o449","","10.1107/S160053681100198X","","","1.54184","CuKα","","0.0459","0.0409","","","0.1149","0.1202","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229167","8.8206","0.0016","25.005","0.005","9.045","0.0017","90","","100.802","0.003","90","","1959.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-<i>N</i>-[(4-chlorophenyl)(phenyl)methyl]-<i>N</i>-[2-(4-nitro- 1<i>H</i>-imidazol-1-yl)ethyl]ethanamine","","- C20 H20 Cl2 N4 O2 -","- C20 H20 Cl2 N4 O2 -","- C80 H80 Cl8 N16 O8 -","4","1","NG5107","Zhang, Wen-Tai; Zhou, Cheng-He; Ji, Qing-Gang","2-Chloro-<i>N</i>-[(4-chlorophenyl)(phenyl)methyl]-<i>N</i>-[2-(4-nitro-1<i>H</i>-imidazol-1-yl)ethyl]ethanamine","Acta Crystallographica Section E","2011","67","2","o491","","10.1107/S160053681100256X","","","0.71073","MoKα","","0.0767","0.0528","","","0.1265","0.1388","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229168","8.0011","0.0004","9.6006","0.0004","19.1606","0.0009","90","","90","","90","","1471.83","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ<i>O</i>)zinc(II)","","- C12 H14 N2 O7 S Zn -","- C12 H14 N2 O7 S Zn -","- C48 H56 N8 O28 S4 Zn4 -","4","1","NG5108","Liu, Hong; Qin, Hui; Zhang, Yun-Jie; Yang, Hong-Wei; Zhang, Jian","Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2011","67","2","m280","m281","10.1107/S1600536811003138","","","0.71073","MoKα","","0.0232","0.0213","","","0.0492","0.05","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229169","14.0947","0.0019","6.0994","0.0008","14.0373","0.0019","90","","103.704","0.003","90","","1172.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2-{[(pyridin-3-ylmethyl)imino]methyl}phenol","","- C13 H11 Br N2 O -","- C13 H11 Br N2 O -","- C52 H44 Br4 N8 O4 -","4","1","NG5109","Ha, Kwang","4-Bromo-2-{[(pyridin-3-ylmethyl)imino]methyl}phenol","Acta Crystallographica Section E","2011","67","2","o518","","10.1107/S1600536811003011","","","0.71073","MoKα","","0.0796","0.0373","","","0.0641","0.0987","","","","","","1.127","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229170","11.359","0.003","14.258","0.004","7.923","0.003","90","","90","","90","","1283.2","0.7","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Tetrakis(benzylamino)phosphonium chloride","","- C28 H32 Cl N4 P -","- C28 H32 Cl N4 P -","- C56 H64 Cl2 N8 P2 -","2","0.5","NK2077","Gholivand, Khodayar; Mostaanzadeh, Hossein; Farshadian, Sedigheh","Tetrakis(benzylamino)phosphonium chloride","Acta Crystallographica Section E","2011","67","2","o311","","10.1107/S1600536810054401","","","0.71073","MoKα","","0.0495","0.036","","","0.0895","0.0935","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229171","11.879","0.002","12.445","0.003","15.039","0.003","96.71","0.03","110.9","0.03","103.98","0.03","1964.3","1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","(<i>R</i>)-2,2'-Bis[<i>N</i>'-(3,5-dichlorophenyl)ureido]-1,1'-binaphthalene chloroform disolvate","","- C36 H24 Cl10 N4 O2 -","- C36 H24 Cl10 N4 O2 -","- C72 H48 Cl20 N8 O4 -","2","2","OM2383","Holakovský, Roman; Pojarová, Michaela; Dušek, Michal; Čejka, Jan; Císařová, Ivana","(<i>R</i>)-2,2'-Bis[<i>N</i>'-(3,5-dichlorophenyl)ureido]-1,1'-binaphthalene chloroform disolvate","Acta Crystallographica Section E","2011","67","2","o384","o385","10.1107/S1600536810052657","","","0.71073","MoKα","","0.0689","0.0504","","","0.1122","0.1246","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229172","7.5514","0.0004","7.2632","0.0004","9.0675","0.0005","90","","93.422","0.002","90","","496.44","0.05","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Poly[μ-(1,3-dihydroxypropan-2-olato)-potassium]","","- C3 H7 K O3 -","- C3 H7 K O3 -","- C12 H28 K4 O12 -","4","0.5","OM2384","Schatte, Gabriele; Shen, Jianheng; Reaney, Martin; Sammynaiken, Ramaswami","Poly[μ-(1,3-dihydroxypropan-2-olato)-potassium]","Acta Crystallographica Section E","2011","67","2","m141","m142","10.1107/S160053681005316X","","","1.54184","CuKα","","0.0428","0.0427","","","0.1029","0.103","","","","","","1.174","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229173","4.482","0.002","9.123","0.005","22.819","0.011","90","","90","","90","","933.1","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,6-Dibromo-<i>o</i>-phenylene)dimethanol","","- C8 H8 Br2 O2 -","- C8 H8 Br2 O2 -","- C32 H32 Br8 O8 -","4","1","OM2391","Li, Qi; Xue, Wei-jian","(3,6-Dibromo-<i>o</i>-phenylene)dimethanol","Acta Crystallographica Section E","2011","67","2","o400","","10.1107/S1600536811001206","","","0.71073","MoKα","","0.0605","0.0434","","","0.1025","0.1106","","","","","","1.049","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2229174","12.025","0.004","13.705","0.004","17.727","0.006","74.595","0.004","85.646","0.004","67.238","0.004","2596","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Mo2(DAniF)3(OOCC6H5)(CH2Cl2)","(μ-Benzoato-κ^2^<i>O</i>:<i>O</i>')tris[μ-<i>N</i>,<i>N</i>'-bis(4- methoxyphenyl)formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) dichloromethane monosolvate","","- C53 H52 Cl2 Mo2 N6 O8 -","- C53 H52 Cl2 Mo2 N6 O8 -","- C106 H104 Cl4 Mo4 N12 O16 -","2","1","OM2393","Han, L.-J.","(μ-Benzoato-κ^2^<i>O</i>:<i>O</i>')tris[μ-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","2","m256","","10.1107/S1600536811002558","","","0.71073","MoKα","","0.0559","0.0355","","","0.0885","0.1066","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229175","24.414","0.003","4.8328","0.0004","11.5667","0.0014","90","","100.671","0.01","90","","1341.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","propane-1,3-diyl bis(pyridine-3-carboxylate)","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","0.5","OM2394","Brito, Iván; Vallejos, Javier; Cárdenas, Alejandro; López-Rodríguez, Matías; Bolte, Michael","A monoclinic modification of propane-1,3-diyl bis(pyridine-3-carboxylate)","Acta Crystallographica Section E","2011","67","2","o278","","10.1107/S1600536810054309","","","0.71073","MoKα","","0.0457","0.0325","","","0.0781","0.0813","","","","","","0.922","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229176","4.631","0.002","13.558","0.003","25.478","0.003","90","","90","","90","","1599.7","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Chloro-<i>N</i>'-(3-ethoxy-2-hydroxybenzylidene)benzohydrazide monohydrate","","- C16 H17 Cl N2 O4 -","- C16 H17 Cl N2 O4 -","- C64 H68 Cl4 N8 O16 -","4","1","OM2396","Li, Tian-Yi; Zeng, Peng-Tao","3-Chloro-<i>N</i>'-(3-ethoxy-2-hydroxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2011","67","2","o377","","10.1107/S160053681100122X","","","0.71073","MoKα","","0.1947","0.0672","","","0.1174","0.1576","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229177","10.087","0.004","12.939","0.005","14.78","0.005","78.408","0.004","80.726","0.004","70.632","0.004","1773.4","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-<i>N</i>'-(4-diethylamino-2-hydroxybenzylidene)benzohydrazide","","- C18 H20 Cl N3 O2 -","- C18 H20 Cl N3 O2 -","- C72 H80 Cl4 N12 O8 -","4","2","OM2397","Li, Tian-Yi; Li, Bing-Bing","3-Chloro-<i>N</i>'-(4-diethylamino-2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","2","o383","","10.1107/S1600536811001218","","","0.71073","MoKα","","0.2015","0.0746","","","0.1446","0.1925","","","","","","0.91","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229178","11.24","0.0005","4.986","0.0002","21.9907","0.0009","90","","95.116","0.004","90","","1227.51","0.09","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4'-methoxyflavonol","3-Hydroxy-2-(4-methoxyphenyl)-4<i>H</i>-chromen-4-one","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","OM2398","Wera, Michał; Serdiuk, Ilia E.; Roshal, Alexander D.; Błażejowski, Jerzy","3-Hydroxy-2-(4-methoxyphenyl)-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2011","67","2","o440","","10.1107/S160053681100167X","","","1.54184","CuKα","","0.0534","0.0395","","","0.0986","0.1115","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229179","7.2934","0.0002","26.4035","0.0005","10.0111","0.0003","90","","107.853","0.003","90","","1835.02","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>- bis({2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(thiocyanato-κ<i>N</i>)cadmium)","","- C30 H38 Cd2 N10 O2 S4 -","- C30 H38 Cd2 N10 O2 S4 -","- C60 H76 Cd4 N20 O4 S8 -","2","0.5","OM2400","Suleiman Gwaram, Nura; Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah","Di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-bis({2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(thiocyanato-κ<i>N</i>)cadmium)","Acta Crystallographica Section E","2011","67","2","m251","","10.1107/S1600536811002480","","","0.71073","MoKα","","0.027","0.0227","","","0.0454","0.0469","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229180","8.1743","0.0008","11.5945","0.0011","12.0396","0.0009","90","","90","","90","","1141.08","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","anhydrous gabapentin nitrate complex","[1-(Carboxymethyl)cyclohexyl]methanaminium nitrate","","- C9 H18 N2 O5 -","- C9 H18 N2 O5 -","- C36 H72 N8 O20 -","4","1","PB2049","de Vries, Elise J. C.; Gamble, Caryn; Shaikjee, Ahmed","[1-(Carboxymethyl)cyclohexyl]methanaminium nitrate","Acta Crystallographica Section E","2011","67","2","o513","","10.1107/S1600536811001267","","","0.71073","MoKα","","0.0394","0.0333","","","0.0813","0.0841","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229181","12.3275","0.0018","17.2","0.003","18.173","0.003","90","","90","","90","","3853.3","1.1","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","[μ-1,2-Bis(diphenylphosphanyl)-1,2-diethylhydrazine-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)] tetrahydrofuran disolvate","","- C36 H46 Au2 Cl2 N2 O2 P2 -","- C36 H46 Au2 Cl2 N2 O2 P2 -","- C144 H184 Au8 Cl8 N8 O8 P8 -","4","0.5","PB2050","Kriel, Frederik H.; Fernandes, Manuel A.; Coates, Judy","[μ-1,2-Bis(diphenylphosphanyl)-1,2-diethylhydrazine-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)] tetrahydrofuran disolvate","Acta Crystallographica Section E","2011","67","2","m155","","10.1107/S1600536811000109","","","0.71073","MoKα","","0.0417","0.0256","","","0.0486","0.0519","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229182","12.2822","0.0008","12.2762","0.0007","9.276","0.0006","90","","106.636","0.007","90","","1340.08","0.15","293","2","292.85","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Dimethyl-5-{[(4-nitrophenyl)amino]methylidene}-1,3-dioxane-4,6-dione","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","PB2051","Yang, Ying-Hong; Li, Zi-Cheng; Luo, You-Fu","2,2-Dimethyl-5-{[(4-nitrophenyl)amino]methylidene}-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2011","67","2","o412","","10.1107/S1600536811001103","","","0.7107","MoKα","","0.1166","0.0519","","","0.0996","0.1263","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229183","10.0609","0.0014","10.6054","0.0015","14.335","0.002","90","","90","","90","","1529.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-Ferrocenyl-3-hydroxy-3-phenylpropan-1-one","","- C19 H18 Fe O2 -","- C19 H18 Fe O2 -","- C76 H72 Fe4 O8 -","4","1","PB2052","Wang, Ping-An","(<i>S</i>)-1-Ferrocenyl-3-hydroxy-3-phenylpropan-1-one","Acta Crystallographica Section E","2011","67","2","m183","","10.1107/S1600536811000766","","","0.71073","MoKα","","0.0378","0.0313","","","0.0615","0.0659","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229184","5.3289","0.0002","24.0195","0.0012","10.9544","0.0005","90","","100.113","0.002","90","","1380.35","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Methylsulfanylphenyl)-1<i>H</i>-benzimidazol-3-ium bromide","","- C14 H13 Br N2 S -","- C14 H13 Br N2 S -","- C56 H52 Br4 N8 S4 -","4","1","PB2053","Ziaulla, Mohamed; Manjunatha, M. N.; Sankolli, Ravish; Nagasundara, K. R.; Begum, Noor Shahina","2-(4-Methylsulfanylphenyl)-1<i>H</i>-benzimidazol-3-ium bromide","Acta Crystallographica Section E","2011","67","2","o341","o342","10.1107/S1600536811000146","","","0.71073","MoKα","","0.0478","0.0289","","","0.0635","0.069","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229185","16.3958","0.0018","6.0654","0.0007","16.7206","0.0019","90","","102.289","0.002","90","","1624.7","0.3","185","2","185","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{4-[5-(4-<i>tert</i>-Butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methanol","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","PK2290","Zhao, Yu-Ling; Lv, Zhe; Tian, Bin; Hou, Zhe; Geng, Zhong-Rong","{4-[5-(4-<i>tert</i>-Butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methanol","Acta Crystallographica Section E","2011","67","2","o251","","10.1107/S1600536810052967","","","0.71073","MoKα","","0.0955","0.0492","","","0.1052","0.1217","","","","","","0.979","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229186","8.096","0.001","8.4004","0.0008","10.066","0.001","96.489","0.009","100.66","0.01","96.885","0.009","661.48","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-1,3-thiazole-κ<i>N</i>^3^)diazidozinc","","- C6 H8 N10 S2 Zn -","- C6 H8 N10 S2 Zn -","- C12 H16 N20 S4 Zn2 -","2","1","PK2293","Suh, Seung Wook; Kim, Chong-Hyeak; Kim, Inn Hoe","Bis(2-amino-1,3-thiazole-κ<i>N</i>^3^)diazidozinc","Acta Crystallographica Section E","2011","67","2","m135","m136","10.1107/S1600536810053766","","","0.71073","MoKα","","0.0277","0.025","","","0.0666","0.0682","","","","","","1.087","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229187","12.8695","0.0007","12.6025","0.0007","14.4579","0.0008","90","","94.184","0.003","90","","2338.6","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Di-μ-oxido-bis[(<i>N</i>,<i>N</i>'-diethyldithiocarbamato- κ^2^<i>S</i>,<i>S'</i>)oxidomolybdenum(V)] tetrahydrofuran monosolvate","","- C14 H28 Mo2 N2 O5 S4 -","- C14 H28 Mo2 N2 O5 S4 -","- C56 H112 Mo8 N8 O20 S16 -","4","0.5","PK2294","Fernandes, José A.; Almeida Paz, Filipe A.; Romão, Carlos C.","<i>cis</i>-Di-μ-oxido-bis[(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')oxidomolybdenum(V)](<i>Mo</i>—<i>Mo</i>) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2011","67","2","m288","m289","10.1107/S1600536811003187","","","0.71073","MoKα","","0.035","0.0242","","","0.0497","0.0539","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229188","10.7565","0.0002","10.8846","0.0002","11.0179","0.0002","67.035","0.001","63.881","0.001","60.768","0.001","985.16","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-5-(piperidin-1-ylmethyl)thiazole","","- C22 H23 F N2 O S -","- C22 H23 F N2 O S -","- C44 H46 F2 N4 O2 S2 -","2","1","PV2365","Guo, Chang-Bin; Lv, Chao; Wei, Wei; Zhou, Hua","2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-5-(piperidin-1-ylmethyl)thiazole","Acta Crystallographica Section E","2011","67","2","o361","","10.1107/S1600536810054103","","","0.71073","MoKα","","0.0551","0.0403","","","0.0999","0.1098","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229189","40.0268","0.0019","23.1726","0.001","5.3463","0.0002","90","","90","","90","","4958.8","0.4","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","<i>N</i>-Cyclohexylcyclohexanaminium chloride","","- C12 H24 Cl N -","- C12 H24 Cl N -","- C192 H384 Cl16 N16 -","16","1","PV2369","Pourayoubi, Mehrdad; Negari, Monireh; Nečas, Marek","<i>N</i>-Cyclohexylcyclohexanaminium chloride","Acta Crystallographica Section E","2011","67","2","o332","","10.1107/S1600536811000857","","","0.71073","MoKα","","0.0293","0.0252","","","0.0569","0.0574","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229190","4.57903","0.00006","12.92579","0.00015","20.5614","0.0003","90","","96.0333","0.0011","90","","1210.24","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Bromophenyl)-4-nitrobenzamide","","- C13 H9 Br N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","1","PV2370","Saeed, Sohail; Jasinski, Jerry P.; Butcher, Ray J.","<i>N</i>-(4-Bromophenyl)-4-nitrobenzamide","Acta Crystallographica Section E","2011","67","2","o279","","10.1107/S1600536811000122","","","1.54184","CuKα","","0.028","0.0271","","","0.0738","0.0746","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229191","11.3469","0.0007","19.5307","0.0012","27.3178","0.0016","90","","90","","90","","6054","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine- κ^3^<i>O</i>,<i>O</i>',<i>O</i>''}calcium bis(perchlorate) acetonitrile disolvate","","- C58 H66 Ca Cl2 N10 O14 -","- C58 H66 Ca Cl2 N10 O14 -","- C232 H264 Ca4 Cl8 N40 O56 -","4","0.5","PV2371","Kose, Muhammet; McKee, Vickie","Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine-κ^3^<i>O</i>,<i>O</i>',<i>O</i>''}calcium bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section E","2011","67","2","m149","","10.1107/S1600536810053961","","","0.71073","MoKα","","0.0479","0.039","","","0.103","0.1096","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229192","10.381","0.002","10.455","0.002","13.239","0.003","69.71","0.03","79.24","0.03","70.21","0.03","1264.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)benzylamine","","- C31 H27 N P2 -","- C31 H27 N P2 -","- C62 H54 N2 P4 -","2","1","PV2373","Liu, Xu-Feng; Xu, Wei-Hong; Li, Hui","<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)benzylamine","Acta Crystallographica Section E","2011","67","2","o370","","10.1107/S1600536811000997","","","0.71073","MoKα","","0.0726","0.0588","","","0.1609","0.1733","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229193","6.9964","0.0015","8.8647","0.0019","15.124","0.004","99.363","0.006","95.281","0.006","112.271","0.004","844.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazole-5- carboxylate monohydrate","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C34 H44 N4 O10 -","2","1","PV2374","Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.","Ethyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazole-5-carboxylate monohydrate","Acta Crystallographica Section E","2011","67","2","o480","","10.1107/S160053681100242X","","","0.71073","MoKα","","0.087","0.0768","","","0.1863","0.198","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229194","7.7163","0.0007","17.0786","0.0016","23.427","0.002","90","","90","","90","","3087.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,3-Dimethoxybenzylidene)naphthalen-1-amine","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","1","PV2375","Guo, Ailing; Zhang, Shurong; Liu, Xiaofang; Jiao, Jianhua","<i>N</i>-(2,3-Dimethoxybenzylidene)naphthalen-1-amine","Acta Crystallographica Section E","2011","67","2","o285","","10.1107/S1600536811000079","","","0.71073","MoKα","","0.1131","0.0479","","","0.1214","0.1866","","","","","","1.115","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229195","7.1554","0.0003","22.187","0.001","12.1297","0.0005","90","","91.115","0.003","90","","1925.31","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-\ κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C15 H21 Co N5 O2 S2 -","- C15 H21 Co N5 O2 S2 -","- C60 H84 Co4 N20 O8 S8 -","4","1","PV2377","Suleiman Gwaram, Nura; Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah","Aqua{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2011","67","2","m205","","10.1107/S160053681100136X","","","0.71073","MoKα","","0.0742","0.0547","","","0.1278","0.1372","","","","","","1.082","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229196","9.9688","0.0002","10.5041","0.0002","10.9491","0.0002","62.534","0.002","78.494","0.002","78.985","0.002","990.35","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis{benzyl 3-[(1<i>H</i>-indol-3-yl)methylidene]dithiocarbazato- κ^2^<i>N</i>^3^,<i>S</i>}palladium(II) pyridine disolvate","","- C44 H38 N8 Pd S4 -","- C44 H38 N8 Pd S4 -","- C44 H38 N8 Pd S4 -","1","0.5","PV2380","Khaledi, Hamid; Mohd Ali, Hapipah","Bis{benzyl 3-[(1<i>H</i>-indol-3-yl)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}palladium(II) pyridine disolvate","Acta Crystallographica Section E","2011","67","2","m230","","10.1107/S1600536811001991","","","0.71073","MoKα","","0.06","0.0392","","","0.066","0.0703","","","","","","0.987","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229197","13.106","0.003","12.588","0.003","8.347","0.002","90","","97.578","0.002","90","","1365","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C56 H40 Cl8 N8 O4 -","4","1","QM2001","Lei, Yan; Fu, Chuan","3-Chloro-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","2","o410","","10.1107/S1600536811001656","","","0.71073","MoKα","","0.0766","0.0482","","","0.1139","0.1296","","","","","","1.008","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229198","8.328","0.003","15.635","0.005","16.547","0.005","90","","90","","90","","2154.6","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-[bis(phenylmethyl)amino]-1-deoxy-4,5-O-isopropylidene-β-D-Fructopyranose","1-Dibenzylamino-1-deoxy-4,5-<i>O</i>-isopropylidene-β-<i>D</i>-\ fructopyranose","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C92 H116 N4 O20 -","4","1","RK2247","Huo, Shiyong; Li, Yueqing; Liang, Chaoyan; Liu, Jihong; Zhao, Weijie","1-Dibenzylamino-1-deoxy-4,5-<i>O</i>-isopropylidene-β-<small>D</small>-fructopyranose","Acta Crystallographica Section E","2011","67","2","o387","","10.1107/S1600536810053973","","","0.71073","MoKα","","0.0487","0.0367","","","0.092","0.0985","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229199","12.263","0.003","12.785","0.002","15.286","0.002","90","","105.94","0.01","90","","2304.4","0.7","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","μ-Carbonato-bis(bis{2-[(diethylamino)methyl]phenyl}bismuth(III))","","- C45 H64 Bi2 N4 O3 -","- C45 H64 Bi2 N4 O3 -","- C90 H128 Bi4 N8 O6 -","2","0.5","RK2252","Soran, Albert P.; Nema, Mihai G.; Breunig, Hans J.; Silvestru, Cristian","μ-Carbonato-bis(bis{2-[(diethylamino)methyl]phenyl}bismuth(III))","Acta Crystallographica Section E","2011","67","2","m153","m154","10.1107/S160053681005453X","","","0.71073","MoKα","","0.0524","0.0409","","","0.0992","0.1041","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229200","12.5772","0.0004","14.7746","0.0005","9.2168","0.0003","90","","97.193","0.002","90","","1699.22","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-6-Bromo-4-(1-methyl-1<i>H</i>-indol-3-yl)-10,10a-dihydro- 1<i>H</i>,4<i>H</i>-2,9-dioxa-3-azabenz[<i>f</i>]azulene","","- C20 H17 Br N2 O2 -","- C20 H17 Br N2 O2 -","- C80 H68 Br4 N8 O8 -","4","1","RK2253","Narayanan, P.; Sethusankar, K.; Ramachandiran, K.; Perumal, P. T.","<i>cis</i>-6-Bromo-4-(1-methyl-1<i>H</i>-indol-3-yl)-10,10a-dihydro-1<i>H</i>,4<i>H</i>-2,9-dioxa-3-azabenz[<i>f</i>]azulene","Acta Crystallographica Section E","2011","67","2","o517","","10.1107/S1600536811003084","","","0.71073","MoKα","","0.0791","0.0392","","","0.0856","0.0988","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229201","12.0415","0.0002","8.1579","0.0001","17.4578","0.0003","90","","105.325","0.001","90","","1653.96","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Bromo-1-(4-fluorophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan","","- C19 H12 Br F O3 S -","- C19 H12 Br F O3 S -","- C76 H48 Br4 F4 O12 S4 -","4","1","RK2255","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","7-Bromo-1-(4-fluorophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2011","67","2","o280","","10.1107/S160053681005436X","","","0.71073","MoKα","","0.0451","0.0309","","","0.0725","0.0782","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229202","20.711","0.002","7.711","0.0008","29.844","0.003","90","","99.009","0.002","90","","4707.4","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido{<i>N</i>-[(diethylamino)dimethylsilyl]anilido- κ<i>N</i>}(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane- 1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C18 H37 Cl Co N4 Si -","- C18 H37 Cl Co N4 Si -","- C144 H296 Cl8 Co8 N32 Si8 -","8","1","RK2258","Bai, Sheng-Di; Hu, Min","Chlorido{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-κ<i>N</i>}(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2011","67","2","m273","","10.1107/S1600536811002959","","","0.71073","MoKα","","0.0641","0.0475","","","0.1255","0.1336","","","","","","1.054","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229203","6.5332","0.0012","8.888","0.002","25.29","0.03","90","","90","","90","","1468.5","1.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>Z</i>)-1-Chloro-3-[(3,4,5-trimethoxybenzylidene)amino]propan-2-ol","","- C13 H18 Cl N O4 -","- C13 H18 Cl N O4 -","- C52 H72 Cl4 N4 O16 -","4","1","RN2076","Ren, Yun; Qian, Shan; Hai, Li; Fan, Wei; Wu, Yong","(<i>S</i>,<i>Z</i>)-1-Chloro-3-[(3,4,5-trimethoxybenzylidene)amino]propan-2-ol","Acta Crystallographica Section E","2011","67","2","o245","","10.1107/S1600536810053420","","","0.7107","MoKα","","0.0846","0.0511","","","0.1194","0.1257","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229204","8.2551","0.0002","9.4707","0.0003","11.4914","0.0003","71.403","0.002","81.707","0.002","71.909","0.002","808.39","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran","","- C20 H12 Cl F O2 S -","- C20 H12 Cl F O2 S -","- C40 H24 Cl2 F2 O4 S2 -","2","1","RN2082","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Chloro-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","2","o498","","10.1107/S1600536811002686","","","0.71073","MoKα","","0.0499","0.0362","","","0.0887","0.0958","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229205","10.4377","0.0008","13.0091","0.0009","13.392","0.0011","104.92","0.002","103.208","0.001","106.498","0.001","1593","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-chloroacetato-κ^2^<i>O</i>:<i>O</i>')bis(chloroacetato- κ<i>O</i>)di-μ~3~-oxido-tetrakis[dibenzyltin(IV)]","","- C64 H64 Cl4 O10 Sn4 -","- C64 H64 Cl4 O10 Sn4 -","- C64 H64 Cl4 O10 Sn4 -","1","0.5","RZ2532","Li, Jing; Yin, Handong; Wang, Daqi","Bis(μ-chloroacetato-κ^2^<i>O</i>:<i>O</i>')bis(chloroacetato-κ<i>O</i>)di-μ~3~-oxido-tetrakis[dibenzyltin(IV)]","Acta Crystallographica Section E","2011","67","2","m147","","10.1107/S1600536810054000","","","0.71073","MoKα","","0.0497","0.0308","","","0.0498","0.0541","","","","","","1.006","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229206","9.7568","0.0005","6.5284","0.0003","34.6568","0.0015","90","","104.784","0.001","90","","2134.43","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-chlorobenzenesulfonate monohydrate","","- C22 H24 Cl N O5 S -","- C22 H24 Cl N O5 S -","- C88 H96 Cl4 N4 O20 S4 -","4","1","RZ2539","Chantrapromma, Suchada; Chanawanno, Kullapa; Fun, Hoong-Kun","2-[(<i>E</i>)-2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-chlorobenzenesulfonate monohydrate","Acta Crystallographica Section E","2011","67","2","o515","o516","10.1107/S1600536810053572","","","0.71073","MoKα","","0.051","0.0395","","","0.1164","0.1413","","","","","","1.113","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229207","13.0352","0.0012","10.0882","0.0013","18.709","0.002","90","","90","","90","","2460.3","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-phenylseleninato- κ^2^<i>O</i>:<i>O</i>']","","- C9 H14 O2 Se Sn -","- C9 H14 O2 Se Sn -","- C72 H112 O16 Se8 Sn8 -","8","1","RZ2544","Guo, Mengjie; Ru, Jing; Zhang, Rufen","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-phenylseleninato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","2","m152","","10.1107/S1600536810054243","","","0.71073","MoKα","","0.0439","0.028","","","0.0626","0.0689","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229208","30.612","0.0018","7.9982","0.0005","25.654","0.0015","90","","90","","90","","6281.1","0.7","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2<i>H</i>-pyran-3-yl)(3- thienyl)methyl]-6-methyl-3,6-dihydro-2<i>H</i>-pyran-2-one","","- C17 H14 O6 S -","- C17 H14 O6 S -","- C272 H224 O96 S16 -","16","4","RZ2545","Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun","4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2<i>H</i>-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2011","67","2","o494","o495","10.1107/S1600536811002716","","","0.71073","MoKα","","0.0492","0.0465","","","0.1284","0.1307","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229209","9.5892","0.0004","16.1622","0.0006","19.5255","0.0007","65.832","0.002","89.562","0.002","81.364","0.002","2724.7","0.19","100","","100","","","","","","","","","4","P 1","P 1","1","","<i>N</i>,<i>N</i>'-Bis(3β-acetoxy-5α-cholest-6-ylidene)hydrazine","","- C58 H96 N2 O4 -","- C58 H96 N2 O4 -","- C116 H192 N4 O8 -","2","2","RZ2546","Tabassum, Zishan; Sulaiman, Othman; Ibrahim, M. N. Mohamad; Quah, Ching Kheng; Fun, Hoong-Kun","<i>N</i>,<i>N</i>'-Bis(3β-acetoxy-5α-cholest-6-ylidene)hydrazine","Acta Crystallographica Section E","2011","67","2","o522","o523","10.1107/S1600536811003254","","","1.54178","CuKα","","0.065","0.0572","","","0.1397","0.151","","","","","","1.188","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229210","25.8238","0.0008","9.1634","0.0002","14.8366","0.0005","90","","102.314","0.003","90","","3430.07","0.18","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[Bis(<i>p</i>-tolylsulfonyl)amino]-<i>N</i>-(4-chlorobenzyl)-6-(3,4- dichlorophenyl)thieno[2,3-<i>b</i>]pyridine-2-carboxamide","","- C35 H26 Cl3 N3 O5 S3 -","- C35 H26 Cl3 N3 O5 S3 -","- C140 H104 Cl12 N12 O20 S12 -","4","1","RZ2547","He, Hai-Yun; Li, Hong-Ze; Yang, Li","3-[Bis(<i>p</i>-tolylsulfonyl)amino]-<i>N</i>-(4-chlorobenzyl)-6-(3,4-dichlorophenyl)thieno[2,3-<i>b</i>]pyridine-2-carboxamide","Acta Crystallographica Section E","2011","67","2","o499","","10.1107/S160053681100290X","","","0.7107","MoKα","","0.0735","0.0431","","","0.0982","0.1045","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229211","11.02755","0.00013","16.8178","0.0002","12.50787","0.00014","90","","115.246","0.0014","90","","2098.14","0.05","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","(1-Ferrocenyl-4,4,4-trifluorobutane-1,3-dionato- κ^2^<i>O</i>,<i>O</i>)bis(triphenylphosphane)copper(I)","","- C50 H40 Cu F3 Fe O2 P2 -","- C50 H40 Cu F3 Fe O2 P2 -","- C100 H80 Cu2 F6 Fe2 O4 P4 -","2","1","SI2308","Rüffer, Tobias; Joubert, Chris C.; Buitendach, Blenerhassit E.; Swarts, Jannie C.; Jakob, Alexander; Lang, Heinrich","(1-Ferrocenyl-4,4,4-trifluorobutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>)bis(triphenylphosphane)copper(I)","Acta Crystallographica Section E","2011","67","2","m231","m232","10.1107/S1600536811001796","","","0.71073","MoKα","","0.0231","0.0204","","","0.0501","0.0523","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229212","10.0439","0.0006","10.1978","0.0006","11.107","0.0006","111.591","0.001","98.848","0.001","111.234","0.001","930.34","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,10-phenanthrolin-1-ium) 9,10-dioxo-9,10-dihydroanthracene-1,5-disulfonate hexahydrate","","- C38 H36 N4 O14 S2 -","- C38 H36 N4 O14 S2 -","- C38 H36 N4 O14 S2 -","1","0.5","SI2318","Jia, Jia","Bis(1,10-phenanthrolin-1-ium) 9,10-dioxo-9,10-dihydroanthracene-1,5-disulfonate hexahydrate","Acta Crystallographica Section E","2011","67","2","o250","","10.1107/S1600536810053456","","","0.71073","MoKα","","0.0557","0.0471","","","0.0959","0.1003","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229213","9.1947","0.0003","16.1867","0.0004","11.6538","0.0003","90","","99.67","0.001","90","","1709.81","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-[(Hydrazinylidene)methyl]-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","","- C18 H16 N2 O5 S -","- C18 H16 N2 O5 S -","- C72 H64 N8 O20 S4 -","4","1","SI2319","Yuvaraj, H.; Gayathri, D.; Kalkhambkar, Rajesh G.; Kulkarni, G. M.; Bapset, Rajendra M.","8-[(Hydrazinylidene)methyl]-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","2","o323","","10.1107/S1600536810054620","","","0.71073","MoKα","","0.0554","0.0396","","","0.1057","0.1164","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229214","9.821","0.0018","11.081","0.002","12.025","0.002","98.803","0.002","112.151","0.002","101.791","0.002","1147.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","7-(<i>tert</i>-Butyldiphenylsilyloxy)-2,2-dimethyl-1-benzofuran-3(2<i>H</i>)-one","","- C26 H28 O3 Si -","- C26 H28 O3 Si -","- C52 H56 O6 Si2 -","2","1","SI2320","Salas, Cristian O.; Tapia, Ricardo A.; Macías, Alejandro","7-(<i>tert</i>-Butyldiphenylsilyloxy)-2,2-dimethyl-1-benzofuran-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o375","","10.1107/S1600536810054462","","","0.71073","MoKα","","0.0603","0.0436","","","0.1","0.1107","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229215","9.414","0.0017","10.7606","0.0019","10.7874","0.0019","103","0.004","97.413","0.004","97.736","0.004","1040.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-Diethyl 9-hydroxy-9-methyl-7-phenyl-1,4-diazaspiro[4.5]decane-6,8-dicarboxylate","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C42 H60 N4 O10 -","2","1","SI2321","Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.; Rahimova, Gunel M.; Allahverdiyev, Mirza A.","<i>rac</i>-Diethyl 9-hydroxy-9-methyl-7-phenyl-1,4-diazaspiro[4.5]decane-6,8-dicarboxylate","Acta Crystallographica Section E","2011","67","2","o291","","10.1107/S1600536810054498","","","0.71073","MoKα","","0.1328","0.0675","","","0.1489","0.1754","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229216","11.934","0.0011","32.774","0.004","10.986","0.0011","90","","90","","90","","4296.9","0.8","290","2","290","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate","","- Ca H20 Na2 Ni2 O24 P4 -","- Ca H20 Na2 Ni2 O24 P4 -","- Ca8 H160 Na16 Ni16 O192 P32 -","8","0.5","SI2322","Cui, Yun-Cheng; Zhao, Yan-Hui","Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate","Acta Crystallographica Section E","2011","67","2","i13","i14","10.1107/S160053681100016X","","","0.71073","MoKα","","0.0231","0.0214","","","0.0488","0.0493","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229217","6.6008","0.0013","16.784","0.003","13.424","0.003","90","","90","","90","","1487.2","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(4-Bromobenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C64 H60 Br4 O16 -","4","1","SI2324","Zeng, Wu-Lan","3-(4-Bromobenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione","Acta Crystallographica Section E","2011","67","2","o426","","10.1107/S1600536811001516","","","0.71073","MoKα","","0.0728","0.0401","","","0.0981","0.1239","","","","","","0.933","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229218","7.0655","0.0002","26.7603","0.0007","9.522","0.0002","90","","94.554","0.002","90","","1794.69","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Methoxycarbonyl-1-methylpyrazinium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)stannate(IV)","","- C12 H12 Cl4 N4 O4 Sn -","- C12 H12 Cl4 N4 O4 Sn -","- C48 H48 Cl16 N16 O16 Sn4 -","4","1","SI2325","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","3-Methoxycarbonyl-1-methylpyrazinium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2011","67","2","m238","","10.1107/S1600536811001929","","","0.71073","MoKα","","0.0307","0.0252","","","0.0561","0.059","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229219","8.8898","0.0003","10.3571","0.0003","20.0938","0.0007","90","","90","","90","","1850.09","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Methoxycarbonylpyridinium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","","- C13 H12 Cl4 N2 O4 Sn -","- C13 H12 Cl4 N2 O4 Sn -","- C52 H48 Cl16 N8 O16 Sn4 -","4","1","SI2326","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","2-Methoxycarbonylpyridinium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2011","67","2","m239","","10.1107/S1600536811001930","","","0.71073","MoKα","","0.0231","0.021","","","0.0486","0.0493","","","","","","0.955","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229220","11.5188","0.0002","11.1971","0.0002","15.0257","0.0002","90","","94.563","0.002","90","","1931.83","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-2-methylquinolinium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","","- C16 H14 Cl4 N2 O3 Sn -","- C16 H14 Cl4 N2 O3 Sn -","- C64 H56 Cl16 N8 O12 Sn4 -","4","1","SI2327","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","8-Hydroxy-2-methylquinolinium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2011","67","2","m240","","10.1107/S1600536811001942","","","0.71073","MoKα","","0.0376","0.0278","","","0.0573","0.0641","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229221","7.9395","0.0003","9.9721","0.0004","16.0531","0.0008","75.056","0.004","82.529","0.004","88.529","0.003","1217.53","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","8-Hydroxy-2-methylquinolinium tetrachlorido(quinolin-2-olato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) methanol disolvate","","- C21 H24 Cl4 N2 O4 Sn -","- C21 H24 Cl4 N2 O4 Sn -","- C42 H48 Cl8 N4 O8 Sn2 -","2","1","SI2328","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","8-Hydroxy-2-methylquinolinium tetrachlorido(quinolin-2-olato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) methanol disolvate","Acta Crystallographica Section E","2011","67","2","m241","","10.1107/S1600536811001954","","","0.71073","MoKα","","0.0666","0.0489","","","0.114","0.1299","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229222","10.307","0.004","13.745","0.003","11.312","0.002","90","","93.8","0.02","90","","1599","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-[4-(2,4-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5- diyl]diethanone","","- C17 H17 Cl2 N O2 -","- C17 H17 Cl2 N O2 -","- C68 H68 Cl8 N4 O8 -","4","1","SJ5076","Sundar, J. Kalyana; Reddy, B. Palakshi; Vijayakumar, V.; Natarajan, S.; Suresh, J.; Lakshman, P. L. Nilantha","1,1'-[4-(2,4-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone","Acta Crystallographica Section E","2011","67","2","o380","o381","10.1107/S1600536810052839","","","0.71073","MoKα","","0.0449","0.0322","","","0.0882","0.0957","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229223","12.374","0.0002","23.913","0.0002","43.655","0.0005","90","","91.746","0.0005","90","","12911.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,11,17,23,29-Penta-<i>tert</i>-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate","","- C70.5 H101 Cl O5 -","- C70.5 H101 Cl O5 -","- C564 H808 Cl8 O40 -","8","2","SJ5077","Pojarová, Michaela; Dušek, Michal; Budka, Jan; Císařová, Ivana; Makrlík, Emanuel","5,11,17,23,29-Penta-<i>tert</i>-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate","Acta Crystallographica Section E","2011","67","2","o296","o297","10.1107/S1600536811000456","","","0.71073","MoKα","","0.1162","0.0737","","0.1509","0.1172","0.1509","","","","","","1.0178","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2229224","4.161","0.003","30.155","0.018","12.934","0.008","90","","96.817","0.007","90","","1611.4","1.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-Bis(2-methoxy-6-formylphenoxy)ethane","3,3'-Dimethoxy-2,2'-(ethane-1,2-diyldioxy)dibenzaldehyde","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","SJ5080","Li, Hongqi; Cai, Li; Chen, Dongling; Li, Jinxing; Chen, Yijun","1,2-Bis(2-methoxy-6-formylphenoxy)ethane","Acta Crystallographica Section E","2011","67","2","o306","","10.1107/S1600536810054085","","","0.71073","MoKα","","0.1274","0.0598","","","0.1164","0.1406","","","","","","0.996","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2229225","8.3406","0.0001","9.5853","0.0001","10.2908","0.0001","94.627","0.001","109.64","0.001","102.69","0.001","745.165","0.016","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Bis(2,1,3-benzoselenadiazole-κ<i>N</i>)dibromidocopper(II)","","- C12 H8 Br2 Cu N4 Se2 -","- C12 H8 Br2 Cu N4 Se2 -","- C24 H16 Br4 Cu2 N8 Se4 -","2","1","SJ5081","Fun, Hoong-Kun; Goh, Jia Hao; Maity, Annada C.; Goswami, Shyamaprosad","Bis(2,1,3-benzoselenadiazole-κ<i>N</i>)dibromidocopper(II)","Acta Crystallographica Section E","2011","67","2","m181","m182","10.1107/S160053681005422X","","","0.71073","MoKα","","0.0493","0.0299","","","0.0602","0.0658","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229226","19.0972","0.0005","10.9883","0.0003","8.1905","0.0002","90","","90.782","0.001","90","","1718.58","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1,2-Dichloro-1,2-bis(3-chloroquinoxalin-2-yl)ethene","","- C18 H8 Cl4 N4 -","- C18 H8 Cl4 N4 -","- C72 H32 Cl16 N16 -","4","1","SJ5082","Fun, Hoong-Kun; Goh, Jia Hao; Maity, Annada C.; Goswami, Shyamaprosad","(<i>Z</i>)-1,2-Dichloro-1,2-bis(3-chloroquinoxalin-2-yl)ethene","Acta Crystallographica Section E","2011","67","2","o290","","10.1107/S1600536810054322","","","0.71073","MoKα","","0.0606","0.0417","","","0.1105","0.1187","","","","","","1.11","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229227","19.296","0.003","8.1417","0.0018","17.294","0.003","90","","90","","90","","2716.9","0.9","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Methyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]benzohydrazide","","- C15 H15 N3 O -","- C15 H15 N3 O -","- C120 H120 N24 O8 -","8","1","SJ5083","Tang, Chun-Bao","2-Methyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","2","o271","","10.1107/S1600536810054267","","","0.71073","MoKα","","0.1211","0.0559","","","0.1236","0.1579","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229228","20.753","0.003","20.753","0.003","10.446","0.002","90","","90","","120","","3896.2","1.1","293","2","293","2","","","","","","","","4","P 61","P 61","169","","1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin- 4-yl]pyrrolidin-2-one","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C168 H144 N24 O24 -","6","1","SJ5084","Gutierrez, Margarita; Astudillo, Luis; Quesada, Luisa; Brito, Iván; López-Rodríguez, Matías","1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","Acta Crystallographica Section E","2011","67","2","o308","o309","10.1107/S1600536810054048","","","0.71073","MoKα","","0.0902","0.0751","","","0.1554","0.1618","","","","","","1.215","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229229","8.414","0.002","6.9722","0.0019","19.331","0.005","90","","101.276","0.004","90","","1112.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,9-Dimethoxy-3,4-dihydro-1<i>H</i>-1,4-oxazino[4,3-<i>a</i>]indol-1-one","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","SJ5085","Salas, Cristian O.; Tapia, Ricardo A.; Prieto, Yolanda","6,9-Dimethoxy-3,4-dihydro-1<i>H</i>-1,4-oxazino[4,3-<i>a</i>]indol-1-one","Acta Crystallographica Section E","2011","67","2","o318","","10.1107/S1600536811000249","","","0.71073","MoKα","","0.0475","0.0383","","","0.0954","0.1015","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229230","13.1097","0.0002","19.8034","0.0004","22.5603","0.0004","90","","98.689","0.001","90","","5789.81","0.18","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-Bis(diphenylphosphanyl)ethane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(4- (methoxyphenyl)arsane-3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0) chloroform monosolvate","","- C57 H46 As Cl3 O12 P2 Ru3 -","- C57 H46 As Cl3 O12 P2 Ru3 -","- C228 H184 As4 Cl12 O48 P8 Ru12 -","4","1","SJ5086","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(diphenylphosphanyl)ethane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(4-(methoxyphenyl)arsane-3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0) chloroform monosolvate","Acta Crystallographica Section E","2011","67","2","m175","m176","10.1107/S160053681100047X","","","0.71073","MoKα","","0.1003","0.067","","","0.0992","0.1081","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229231","15.1589","0.0008","18.6156","0.001","20.0398","0.0011","113.233","0.001","97.986","0.001","97.339","0.001","5041.5","0.5","100","0.1","100","","","","","","","","","6","P -1","-P 1","2","","[μ-Bis(diphenylphosphanyl)ethane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>- (triphenylstibine-3κ<i>Sb</i>)-<i>triangulo</i>-triruthenium(0)","","- C53 H39 O9 P2 Ru3 Sb -","- C53 H39 O9 P2 Ru3 Sb -","- C212 H156 O36 P8 Ru12 Sb4 -","4","2","SJ5087","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(diphenylphosphanyl)ethane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-(triphenylstibine-3κ<i>Sb</i>)-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2011","67","2","m177","m178","10.1107/S1600536810054218","","","0.71073","MoKα","","0.0666","0.0445","","","0.0995","0.1212","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229232","16.107","0.0011","16.7244","0.0012","24.3147","0.0013","90","","129.712","0.003","90","","5038.6","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[(4- methylsulfanylphenyl)diphenylphosphane-3κ<i>P</i>]-<i>triangulo</i>- triruthenium(0)","","- C53 H39 As2 O9 P Ru3 S -","- C53 H39 As2 O9 P Ru3 S -","- C212 H156 As8 O36 P4 Ru12 S4 -","4","1","SJ5088","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Hafiz Malik, H. A.; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[(4-methylsulfanylphenyl)diphenylphosphane-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2011","67","2","m179","m180","10.1107/S1600536810054206","","","0.71073","MoKα","","0.0483","0.0318","","","0.0732","0.0806","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229233","10.7125","0.0001","12.4639","0.0001","20.066","0.0002","96.26","0.001","104.18","0.001","102.9","0.001","2493.72","0.04","100","0.1","100","","","","","","","","","7","P -1","-P 1","2","","Bis{[μ-bis(diphenylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[(4- methylsulfanylphenyl)diphenylphosphane-3κ<i>P</i>]-<i>triangulo</i>- triruthenium(0)} dichloromethane monosolvate","","- C107 H80 Cl2 O18 P6 Ru6 S2 -","- C107 H80 Cl2 O18 P6 Ru6 S2 -","- C107 H80 Cl2 O18 P6 Ru6 S2 -","1","0.5","SJ5089","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Hafiz Malik, H. A.; Yeap, Chin Sing; Fun, Hoong-Kun","Bis{[μ-bis(diphenylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[(4-methylsulfanylphenyl)diphenylphosphane-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)} dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","2","m218","m219","10.1107/S1600536811000778","","","0.71073","MoKα","","0.0501","0.0356","","","0.0771","0.0851","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229234","11.6862","0.0004","11.6862","0.0004","17.1665","0.0013","90","","90","","90","","2344.4","0.2","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","4-<i>tert</i>-Butylpyridinium triiodide‒4-<i>tert</i>-butylpyridine (1/1)","","- C18 H27 I3 N2 -","- C17.94 H26.82 I3 N2 -","- C71.76 H107.28 I12 N8 -","4","0.5","SJ5091","He, Hongshan; Sykes, Andrew G.","4-<i>tert</i>-Butylpyridinium triiodide‒4-<i>tert</i>-butylpyridine (1/1)","Acta Crystallographica Section E","2011","67","2","o434","","10.1107/S1600536811001371","","","0.71073","MoKα","","0.0491","0.037","","","0.0819","0.0903","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229235","14.2621","0.0006","15.7029","0.0011","13.8401","0.0008","90","","118.915","0.004","90","","2713.2","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Tetrakis(2- methylphenyl)oxybis(phosphonic diamide)","<i>N</i>-{[bis(2-methylanilino)phosphoryloxy](2- methylanilino)phosphoryl]}-2-methylaniline","","- C28 H32 N4 O3 P2 -","- C28 H32 N4 O3 P2 -","- C112 H128 N16 O12 P8 -","4","1","SJ5092","Pourayoubi, Mehrdad; Padělková, Zdeňka; Rostami Chaijan, Mahnaz; Růžička, Aleš","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Tetrakis(2-methylphenyl)oxybis(phosphonic diamide): a redetermination at 150K with Mo <i>K</i>α radiation","Acta Crystallographica Section E","2011","67","2","o450","o451","10.1107/S1600536811002091","","","0.71073","MoKα","","0.0816","0.0535","","","0.1043","0.1211","","","","","","1.176","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229236","10.487","0.0003","9.076","0.0003","13.493","0.0005","90","","97.755","0.002","90","","1272.52","0.07","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>N</i>-(2-Hydroxy-1,1-dimethylethyl)-4-methylbenzenesulfonamide","","- C11 H17 N O3 S -","- C11 H17 N O3 S -","- C44 H68 N4 O12 S4 -","4","1","SJ5093","Aziz-ur-Rehman; Yasin, Amina; Akkurt, Mehmet; Abbas, Nadia; Abbasi, Muhammad Athar; Khan, Islam Ullah","<i>N</i>-(2-Hydroxy-1,1-dimethylethyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","2","o295","","10.1107/S1600536811000614","","","0.71073","MoKα","","0.0619","0.0448","","","0.1201","0.135","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229237","12.6167","0.0014","12.6183","0.0014","13.5274","0.0015","74.801","0.002","69.388","0.002","85.582","0.002","1944.9","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquachloridomanganese(II)]-bis[μ-1,1'-(oxydi-<i>p</i>- phenylene)di-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] chloride dimethylformamide monosolvate monohydrate]","","- C39 H39 Cl2 Mn N9 O5 -","- C39 H39 Cl2 Mn N9 O5 -","- C78 H78 Cl4 Mn2 N18 O10 -","2","1","SU2233","Mu, Xiao-Long","<i>catena</i>-Poly[[[aquachloridomanganese(II)]-bis[μ-1,1'-(oxydi-<i>p</i>-phenylene)di-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] chloride dimethylformamide monosolvate monohydrate]","Acta Crystallographica Section E","2011","67","2","m166","m167","10.1107/S1600536810054383","","","0.71073","MoKα","","0.0602","0.0483","","","0.1294","0.1333","","","","","","1.081","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229238","9.4696","0.0007","5.7641","0.0004","24.3737","0.0015","90","","93.654","0.006","90","","1327.7","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Hydroxy-3-methoxyphenyl)acrylic acid‒2,3,5,6-tetramethylpyrazine (2/1)","","- C14 H16 N O4 -","- C14 H16 N O4 -","- C56 H64 N4 O16 -","4","1","SU2237","Tan, Zaiyou; Zhu, Erjia; Luo, Lin; Lin, Zhuohui; Yan, Ruisi","3-(4-Hydroxy-3-methoxyphenyl)acrylic acid‒2,3,5,6-tetramethylpyrazine (2/1)","Acta Crystallographica Section E","2011","67","2","o424","","10.1107/S1600536811000961","","","1.5418","CuKα","","0.0628","0.0544","","","0.1482","0.156","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229239","9.0072","0.0002","8.4125","0.0002","14.9473","0.0004","90","","96.046","0.001","90","","1126.3","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(trimethylammonium) tetrachloridodiphenylstannate(IV)","","- C18 H30 Cl4 N2 Sn -","- C18 H30 Cl4 N2 Sn -","- C36 H60 Cl8 N4 Sn2 -","2","0.5","SU2238","Diop, Tidiane; Diop, Libasse; Molloy, K. C. Kieran; Kocioc-Köhn, Gabrielle","Bis(trimethylammonium) tetrachloridodiphenylstannate(IV)","Acta Crystallographica Section E","2011","67","2","m203","m204","10.1107/S1600536811000870","","","0.71073","MoKα","","0.0378","0.0293","","","0.0677","0.0721","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229240","8.2018","0.0002","18.6416","0.0003","22.0994","0.0005","90","","90","","90","","3378.88","0.12","293","","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,3',4',6'-Hexaacetyl-4,6-<i>O</i>-benzylidenesucrose","","- C31 H38 O17 -","- C31 H38 O17 -","- C124 H152 O68 -","4","1","SU2240","Brito-Arias, Marco A.; Soto-Ortega, Miguel; García-Báez, Efrén V.","1,2,3,3',4',6'-Hexaacetyl-4,6-<i>O</i>-benzylidenesucrose","Acta Crystallographica Section E","2011","67","2","o486","","10.1107/S1600536811002546","","","0.71073","MoKα","","0.0457","0.0361","","","0.0871","0.0909","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229241","20.282","0.002","3.8025","0.0004","11.8183","0.0008","90","","90","","90","","911.45","0.15","299","2","299","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>Z</i>)-3-[(2-Fluoroanilino)carbonyl]prop-2-enoic acid","","- C10 H8 F N O3 -","- C10 H8 F N O3 -","- C40 H32 F4 N4 O12 -","4","1","SU2241","Ali Shah, Farooq; Ali, Saqib; Shahzadi, Saira; Ahmad, Sajjad; Fischer, Andreas","(<i>Z</i>)-3-[(2-Fluoroanilino)carbonyl]prop-2-enoic acid","Acta Crystallographica Section E","2011","67","2","o393","","10.1107/S1600536811001152","","","0.71073","MoKα","","0.0763","0.0459","","","0.1059","0.1207","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229242","12.986","0.003","25.583","0.005","14.292","0.003","90","","116.19","0.03","90","","4260.6","1.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^] hexadec-15-ene-5,14-dimethanol","","- C23 H38 O2 -","- C23 H38 O2 -","- C184 H304 O16 -","8","4","SU2242","Li, Jian; Rao, Xiao-ping; Shang, Shi-bin; Gao, Yanqing","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,14-dimethanol","Acta Crystallographica Section E","2011","67","2","o359","","10.1107/S1600536811000705","","","0.71073","MoKα","","0.1132","0.0564","","","0.1257","0.1601","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229243","8.786","0.003","14.882","0.002","10.3064","0.0017","90","","91.1","0.002","90","","1347.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide","","- C14 H11 N3 O5 -","- C14 H11 N3 O5 -","- C56 H44 N12 O20 -","4","1","SU2243","Zhang, Zhen","4-Hydroxy-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","2","o300","","10.1107/S1600536811000195","","","0.71073","MoKα","","0.1495","0.0544","","","0.0966","0.1369","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229244","13.769","0.002","13.089","0.002","19.999","0.003","90","","131.426","0.003","90","","2702.5","0.7","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-Hydroxy-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide","","- C14 H11 N3 O5 -","- C14 H11 N3 O5 -","- C112 H88 N24 O40 -","8","2","SU2244","Zhang, Zhen","2-Hydroxy-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","2","o301","","10.1107/S1600536811000201","","","0.71073","MoKα","","0.1339","0.0741","","","0.1417","0.1653","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229245","9.4788","0.0005","10.1893","0.0006","19.9139","0.001","90","","92.296","0.004","90","","1921.79","0.18","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","SU2245","Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","2","o328","o329","10.1107/S1600536811000687","","","0.71073","MoKα","","0.1944","0.062","","","0.1372","0.1839","","","","","","0.898","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229246","7.693","0.0002","7.8331","0.0002","8.2206","0.0002","90.701","0.002","96.992","0.002","92.949","0.002","490.95","0.02","180","","180","","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')bis[4-(dimethylamino)pyridine- κ<i>N</i>]copper(II)","","- C18 H26 Cu N4 O4 -","- C18 H26 Cu N4 O4 -","- C18 H26 Cu N4 O4 -","1","0.5","SU2247","Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')bis[4-(dimethylamino)pyridine-κ<i>N</i>]copper(II)","Acta Crystallographica Section E","2011","67","2","m235","","10.1107/S1600536811002017","","","0.71073","MoKα","","0.0281","0.0274","","0.1146","0.1141","0.1146","","","","","","1.1053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229247","7.6121","0.0003","8.3551","0.0003","13.0681","0.0004","71.551","0.002","84.206","0.002","74.85","0.002","760.86","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-3-(4-fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H14 Br F O2 S -","- C17 H14 Br F O2 S -","- C34 H28 Br2 F2 O4 S2 -","2","1","SU2248","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Bromo-3-(4-fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","2","o471","","10.1107/S1600536811002303","","","0.71073","MoKα","","0.0334","0.0262","","","0.0665","0.0695","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229248","7.237","0.002","16.171","0.005","11.929","0.004","90","","106.081","0.008","90","","1341.4","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Oxo-1,4-dihydrobenzo[<i>h</i>][1,3]thiazeto[3,2-<i>a</i>]quinoline-1,3- dicarboxylic acid","","- C16 H9 N O5 S -","- C16 H9 N O5 S -","- C64 H36 N4 O20 S4 -","4","1","SU2249","Dawe, Louise N.; Ahmed, Abeer; Daneshtalab, Mohsen","4-Oxo-1,4-dihydrobenzo[<i>h</i>][1,3]thiazeto[3,2-<i>a</i>]quinoline-1,3-dicarboxylic acid","Acta Crystallographica Section E","2011","67","2","o529","","10.1107/S1600536811003333","","","0.71075","MoKα","","0.0942","0.0875","","","0.1599","0.1636","","","","","","1.295","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229249","9.831","0.004","13.985","0.006","12.183","0.005","90","","106.626","0.004","90","","1605","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II)","","- C13 H19 Br2 N3 O Zn -","- C13 H19 Br2 N3 O Zn -","- C52 H76 Br8 N12 O4 Zn4 -","4","1","SU2250","Ding, Yan-Wei; Wang, Xiao-Ling; Ni, Li-Li","Dibromido{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II)","Acta Crystallographica Section E","2011","67","2","m261","","10.1107/S1600536811002753","","","0.71073","MoKα","","0.1127","0.0647","","","0.1553","0.1769","","","","","","1.054","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229250","7.7933","0.0002","10.3486","0.0002","11.9532","0.0003","108.038","0.001","93.349","0.001","100.296","0.001","895.19","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-{2-[(<i>E</i>)-(2-hydroxy-3- methoxybenzylidene)amino]ethylamino}cyclopentene-1-carbodithioate","","- C17 H22 N2 O2 S2 -","- C17 H22 N2 O2 S2 -","- C34 H44 N4 O4 S4 -","2","1","SU2251","Menati, Saeid; Kakanejadi, Ali; Taeb, Abbas; Bruno, Giuseppe; Amiri Rudbari, Hadi","Methyl 2-{2-[(<i>E</i>)-(2-hydroxy-3-methoxybenzylidene)amino]ethylamino}cyclopentene-1-carbodithioate","Acta Crystallographica Section E","2011","67","2","o535","","10.1107/S1600536811002972","","","0.71073","MoKα","","0.0403","0.0358","","","0.1035","0.1093","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229251","7.516","0.005","10.96","0.005","12.49","0.005","84.082","0.005","78.925","0.005","80.267","0.005","992.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-Cyclohexylmethyl-5-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]pyrimidin- 4(3<i>H</i>)-one","","- C21 H26 N2 O2 S -","- C21 H26 N2 O2 S -","- C42 H52 N4 O4 S2 -","2","1","TK2710","Yan, Wan-Lu; Guo, Qiong; Li, Cong; Ji, Xiao-Ying; He, Yan-Ping","6-Cyclohexylmethyl-5-ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o534","","10.1107/S1600536811003175","","","0.71073","MoKα","","0.0533","0.0397","","","0.117","0.1291","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229252","17.8881","0.0007","17.8881","0.0007","7.2129","0.0003","90","","90","","90","","2308.01","0.16","200","2","200","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","2-[(4-Methylphenyl)sulfanyl]aniline","","- C13 H13 N S -","- C13 H13 N S -","- C104 H104 N8 S8 -","8","1","TK2711","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","2-[(4-Methylphenyl)sulfanyl]aniline","Acta Crystallographica Section E","2011","67","2","o489","","10.1107/S1600536811002820","","","0.71073","MoKα","","0.0962","0.0751","","","0.1404","0.1472","","","","","","1.195","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229253","7.3827","0.0006","21.986","0.002","8.606","0.0008","90","","97.158","0.009","90","","1386","0.2","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-Dimethyl-<i>N</i>-(2-methylphenylsulfonyl)propanamide","","- C12 H17 N O3 S -","- C12 H17 N O3 S -","- C48 H68 N4 O12 S4 -","4","1","TK2712","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","2,2-Dimethyl-<i>N</i>-(2-methylphenylsulfonyl)propanamide","Acta Crystallographica Section E","2011","67","2","o536","","10.1107/S1600536811003400","","","1.5418","CuKα","","0.0464","0.0369","","","0.0941","0.0981","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229254","10.0548","0.0005","10.0804","0.0005","14.8913","0.0007","94.322","0.004","91.121","0.004","111.675","0.004","1396.79","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Methoxyphenyl)-4<i>H</i>-1,3,2-benzoxathiaphosphinine 2-sulfide","","- C14 H13 O2 P S2 -","- C14 H13 O2 P S2 -","- C56 H52 O8 P4 S8 -","4","2","VM2065","Osyanin, Vitaly A.; Ivleva, Elena A.; Rybakov, Victor B.; Klimochkin, Yurij N.","2-(4-Methoxyphenyl)-4<i>H</i>-1,3,2-benzoxathiaphosphinine 2-sulfide","Acta Crystallographica Section E","2011","67","2","o388","o389","10.1107/S1600536810053146","","","1.54184","CuKα","","0.0412","0.0313","","","0.0737","0.0777","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229255","9.9203","0.0002","13.5659","0.0002","14.6957","0.0002","112.702","0.001","91.471","0.001","94.356","0.001","1815.97","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","{2-Morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II)","","- C15 H19 N5 O S2 Zn -","- C15 H19 N5 O S2 Zn -","- C60 H76 N20 O4 S8 Zn4 -","4","2","VM2068","Suleiman Gwaram, Nura; Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah","{2-Morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2011","67","2","m131","","10.1107/S1600536810053778","","","0.71073","MoKα","","0.0337","0.027","","","0.0683","0.0722","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229256","4.698","0.0009","20.549","0.004","15.176","0.003","90","","95.74","0.03","90","","1457.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy}acetate","","- C14 H9 F6 N O3 -","- C14 H9 F6 N O3 -","- C56 H36 F24 N4 O12 -","4","1","VM2070","Feng, Zhi-Qiang; Yang, Xiao-Li; Ye, Yuan-Feng; Wang, Huai-Qing; Dong, Tao","Methyl 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy}acetate","Acta Crystallographica Section E","2011","67","2","o321","","10.1107/S1600536811000328","","","0.71073","MoKα","","0.0854","0.0514","","","0.1291","0.1462","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229257","13.118","0.003","8.4229","0.0017","22.176","0.007","90","","111.81","0.03","90","","2274.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methoxyethanaminium periodate‒18-crown-6 (1/1)","","- C15 H34 I N O11 -","- C15 H34 I N O11 -","- C60 H136 I4 N4 O44 -","4","1","VM2071","Hu, Jin-Gang","2-Methoxyethanaminium periodate 18-crown-6 clathrate","Acta Crystallographica Section E","2011","67","2","o472","o473","10.1107/S1600536811002315","","","0.71073","MoKα","","0.0682","0.0541","","","0.1352","0.1458","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229258","9.078","0.0018","9.148","0.0018","9.275","0.0019","76.72","0.03","78.44","0.03","61.05","0.03","652.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Bromophenyl)-1-ethyl-1<i>H</i>-1,3-benzodiazole","","- C15 H13 Br N2 -","- C15 H13 Br N2 -","- C30 H26 Br2 N4 -","2","1","VM2072","Dong, Su-Lan; Cheng, Xiao-Chun","2-(4-Bromophenyl)-1-ethyl-1<i>H</i>-1,3-benzodiazole","Acta Crystallographica Section E","2011","67","2","o379","","10.1107/S1600536811001097","","","0.71073","MoKα","","0.1114","0.0498","","","0.0945","0.1109","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229259","6.809","0.005","11.267","0.007","11.596","0.009","101.26","0.03","97.02","0.03","101.81","0.03","841.7","1.1","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","hexaaquaaluminium hexahydroxidooctadecaoxidomolybdochromate(III) decahydrate,","","- Al Cr H38 Mo6 O40 -","- Al Cr H38 Mo6 O40 -","- Al Cr H38 Mo6 O40 -","1","0.5","WM2434","Li, Bao; Ye, Ling; Wu, Li-Xin","[Al(H~2~O)~6~][Cr(OH)~6~Mo~6~O~18~]·10H~2~O","Acta Crystallographica Section E","2011","67","2","i8","","10.1107/S1600536810053936","","","0.71073","MoKα","","0.0391","0.0334","","","0.09","0.0929","","","","","","1.104","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229260","15.446","0.007","13.762","0.006","12.536","0.005","90","","100.398","0.006","90","","2621","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Dichloridobis(1,10-phenanthroline)chromium(III) chloride","","- C24 H16 Cl3 Cr N4 -","- C24 H16 Cl3 Cr N4 -","- C96 H64 Cl12 Cr4 N16 -","4","0.5","WM2436","Gao, Xiaoli","<i>cis</i>-Dichloridobis(1,10-phenanthroline)chromium(III) chloride","Acta Crystallographica Section E","2011","67","2","m139","","10.1107/S1600536810053845","","","0.71073","MoKα","","0.0857","0.0703","","","0.1987","0.2109","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229261","10.1034","0.0005","15.5046","0.0008","17.5503","0.0008","90","","90","","90","","2749.2","0.2","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","Dicaesium uranium(IV) tripalladium(II) hexaselenide","","- Cs2 Pd3 Se6 U -","- Cs2 Pd3 Se6 U -","- Cs16 Pd24 Se48 U8 -","8","0.25","WM2437","Oh, George N.; Ibers, James A.","Cs~2~UPd~3~Se~6~","Acta Crystallographica Section E","2011","67","2","i9","","10.1107/S1600536810053924","","","0.71073","MoKα","","0.0209","0.0194","","","0.0541","0.0545","","","","","","1.464","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229262","11.6706","0.0016","11.6706","0.0016","13.5873","0.0019","90","","90","","90","","1850.6","0.4","100","2","100","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Tetrayttrium(III) trisulfide disilicate","","- O7 S3 Si2 Y4 -","- O7 S3 Si2 Y4 -","- O56 S24 Si16 Y32 -","8","0.25","WM2440","Koscielski, Lukasz A.; Ibers, James A.","Tetrayttrium(III) trisulfide disilicate","Acta Crystallographica Section E","2011","67","2","i16","","10.1107/S1600536810054607","","","0.71073","MoKα","","0.0254","0.02","","","0.0438","0.0448","","","","","","1.245","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229263","14.12","0.02","15.44","0.02","21.25","0.03","90","","90","","90","","4633","11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[[(3,5-dimethyl-1<i>H</i>-pyrazole)copper(II)]-μ- {<i>N</i>-[1-(2-oxidophenyl)ethylidene]-L-valinato}] methanol monosolvate]","","- C19 H27 Cu N3 O4 -","- C19 H27 Cu N3 O4 -","- C152 H216 Cu8 N24 O32 -","8","2","WM2441","Zhao, Gan-Qing; Li, Xu-Dong; Han, Yong-Jun; Xue, Ling-Wei; Peng, Qin-Long","<i>catena</i>-Poly[[[(3,5-dimethyl-1<i>H</i>-pyrazole)copper(II)]-μ-{<i>N</i>-[1-(2-oxidophenyl)ethylidene]-<small>L</small>-valinato}] methanol monosolvate]","Acta Crystallographica Section E","2011","67","2","m173","m174","10.1107/S1600536811000304","","","0.71073","MoKα","","0.1229","0.0544","","","0.1069","0.1297","","","","","","1.009","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2229264","9.3013","0.0005","3.1008","0.00014","9.3914","0.0006","90","","90","","90","","270.86","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","trimagnesium titanium(IV) dioxide bis(borate)","","- B2 Mg3 O8 Ti -","- B2 Mg3 O8 Ti -","- B4 Mg6 O16 Ti2 -","2","0.25","WM2443","Kawano, Tetsuya; Yamane, Hisanori","Redetermination of synthetic warwickite, Mg~3~TiO~2~(BO~3~)~2~","Acta Crystallographica Section E","2011","67","2","i18","i19","10.1107/S1600536811002157","","","0.71073","MoKα","","0.0267","0.0257","","","0.0695","0.0702","","","","","","1.204","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229265","8.5683","0.0001","25.228","0.0004","9.7685","0.0001","90","","114.633","0.001","90","","1919.41","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(2,2-bipyridine)bis[μ~6~-5-(carboxylatomethoxy)benzene-1,3- dicarboxylato]trimanganese(II)] monohydrate]","","- C40 H28 Mn3 N4 O15 -","- C40 H28 Mn3 N4 O15 -","- C80 H56 Mn6 N8 O30 -","2","0.5","WM2447","Jiang, Zhan-Guo; Chen, Jing; Feng, Yun-Long","Poly[[bis(2,2-bipyridine)bis[μ~6~-5-(carboxylatomethoxy)benzene-1,3-dicarboxylato]trimanganese(II)] monohydrate]","Acta Crystallographica Section E","2011","67","2","m259","m260","10.1107/S1600536811002819","","","0.71073","MoKα","","0.0398","0.0355","","","0.1178","0.1226","","","","","","1.097","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229266","23.246","0.002","11.2179","0.001","13.944","0.0016","90","","97.247","0.009","90","","3607.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine)(pyridine-2,6-dicarboxylato)oxidovanadium(IV) ethanol monosolvate","","- C19 H17 N3 O6 V -","- C19 H17 N3 O6 V -","- C152 H136 N24 O48 V8 -","8","1","WM2448","Aghabozorg, Hossein; Tavakoli, Elnaz; Mirzaei, Masoud","(2,2'-Bipyridine)(pyridine-2,6-dicarboxylato)oxidovanadium(IV) ethanol monosolvate","Acta Crystallographica Section E","2011","67","2","m248","m249","10.1107/S1600536811002376","","","0.71073","MoKα","","0.0895","0.0583","","","0.1317","0.1435","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229267","9.147","0.0004","10.1866","0.0004","13.0057","0.0006","76.953","0.004","77.27","0.004","70.404","0.004","1098.27","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[(Nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrito κ^2^<i>O</i>,<i>O</i>')(0.25/1.75)]bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium(II)","","- C24 H16 Cd N6 O4.25 -","- C24 H16 Cd N6 O4.25 -","- C48 H32 Cd2 N12 O8.5 -","2","1","WM2452","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","[(Nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrito-κ^2^<i>O</i>,<i>O</i>')(0.25/1.75)]bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","Acta Crystallographica Section E","2011","67","2","m250","","10.1107/S1600536811002431","","","0.71073","MoKα","","0.0416","0.0329","","","0.0666","0.0729","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229268","18.5654","0.0003","9.273","0.0001","24.7174","0.0004","90","","116.807","0.001","90","","3797.96","0.1","297","","297","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1<i>H</i>-imidazole-5-carbaldehyde","","- C20 H16 Cl F N2 O S2 -","- C20 H16 Cl F N2 O S2 -","- C160 H128 Cl8 F8 N16 O8 S16 -","8","2","WN2418","Fun, Hoong-Kun; Chantrapromma, Suchada; Sumangala, V.; Nagaraja, G. K.; Poojary, Boja","1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1<i>H</i>-imidazole-5-carbaldehyde","Acta Crystallographica Section E","2011","67","2","o496","o497","10.1107/S1600536811002595","","","0.71073","MoKα","","0.06","0.0404","","","0.0972","0.11","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229269","12.4512","0.0005","13.1805","0.0005","13.4065","0.0006","93.856","0.001","116.331","0.001","116.45","0.001","1666.58","0.12","100","2","100","2","","","","","","","","6","P 1","P 1","1","","Tetrakis{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholin-4-ium} dodecatungstosilicate hexahydrate","","- C24 H60 N20 O50 Si W12 -","- C24 H60 N20 O50 Si W12 -","- C24 H60 N20 O50 Si W12 -","1","1","XU5096","Yousefi, Mohammad; Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Gholizadeh, Ahmad; Nikpour, Mohsen","Tetrakis{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholin-4-ium} dodecatungstosilicate hexahydrate","Acta Crystallographica Section E","2011","67","2","m271","m272","10.1107/S1600536811001772","","","0.71073","MoKα","","0.0342","0.0311","","","0.0603","0.0616","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229270","8.3312","0.0009","8.8372","0.0011","15.0396","0.0013","92.236","0.001","102.681","0.002","107.508","0.002","1023.64","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-4-[4-Cyano-2-(hydroxymethyl)phenyl]-4-(4-fluorophenyl)-4-hydroxy- <i>N</i>,<i>N</i>-dimethylbutanaminium hemifumarate","","- C22 H25 F N2 O4 -","- C22 H25 F N2 O4 -","- C44 H50 F2 N4 O8 -","2","1","XU5099","Wang, En-Ju; Chen, Guang-Ying","<i>rac</i>-4-[4-Cyano-2-(hydroxymethyl)phenyl]-4-(4-fluorophenyl)-4-hydroxy-<i>N</i>,<i>N</i>-dimethylbutanaminium hemifumarate","Acta Crystallographica Section E","2011","67","2","o284","","10.1107/S1600536810054346","","","0.71073","MoKα","","0.0782","0.054","","","0.1386","0.1575","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229271","16.4635","0.0015","7.5836","0.0008","15.1123","0.0014","90","","115.68","0.001","90","","1700.4","0.3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(μ-3,5-difluorobenzoato)bis[(3,5-difluorobenzoato)dimethyltin(IV)]","","- C32 H24 F8 O8 Sn2 -","- C32 H24 F8 O8 Sn2 -","- C64 H48 F16 O16 Sn4 -","2","0.5","XU5108","Liu, Hong; Yin, Han-Dong; Li, Jing; Wang, Da-Qi","Bis(μ-3,5-difluorobenzoato)bis[(3,5-difluorobenzoato)dimethyltin(IV)]","Acta Crystallographica Section E","2011","67","2","m148","","10.1107/S1600536810054061","","","0.71073","MoKα","","0.0693","0.0433","","","0.1007","0.1265","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229272","8.3622","0.0017","35.073","0.007","12.28","0.003","90","","105.4","0.03","90","","3472.3","1.4","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1-Ethyl-5-methoxy-1<i>H</i>-indol-3-yl)-<i>N</i>-(4-methoxyphenyl)- 2-oxoacetamide","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","4","XU5111","Chen, Li-Ting; Lu, Yan-Ling; Chen, Hong; Zhou, Jing","2-(1-Ethyl-5-methoxy-1<i>H</i>-indol-3-yl)-<i>N</i>-(4-methoxyphenyl)-2-oxoacetamide","Acta Crystallographica Section E","2011","67","2","o358","","10.1107/S1600536810054668","","","0.71073","MoKα","","0.0781","0.0615","","","0.1342","0.1444","","","","","","1.089","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229273","3.7897","0.0003","17.638","0.0015","16.7745","0.0016","90","","90.968","0.009","90","","1121.09","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4'-hydroxyflavonol","3-Hydroxy-2-(4-hydroxyphenyl)-4<i>H</i>-chromen-4-one","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","XU5114","Wera, Michał; Pivovarenko, Vasyl G.; Błażejowski, Jerzy","3-Hydroxy-2-(4-hydroxyphenyl)-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2011","67","2","o264","o265","10.1107/S1600536810053407","","","0.71073","MoKα","","0.1223","0.0597","","","0.1406","0.1546","","","","","","0.84","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229274","11.7669","0.0004","9.0612","0.0003","12.1493","0.0004","90","","98.529","0.002","90","","1281.06","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3,5,7-Tetrabromoadamantane","","- C10 H12 Br4 -","- C10 H12 Br4 -","- C40 H48 Br16 -","4","1","XU5115","Zhang, You-Ming; Cao, Cheng; Lu, Yan-Yun; Zhang, Qin-Sheng; Wei, Tai-Bao","1,3,5,7-Tetrabromoadamantane","Acta Crystallographica Section E","2011","67","2","o286","","10.1107/S1600536810054474","","","0.71073","MoKα","","0.0515","0.0333","","","0.0705","0.0766","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229275","8.5708","0.0003","16.3149","0.0005","18.5346","0.0006","90","","90","","90","","2591.73","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Deltaline","6β,10-dihydroxy-1α,14α,16β-trimethoxy-4-methyl-7β,8-(methylenedioxy)- 20-ethylaconitan-6-yl acetate","","- C27 H41 N O8 -","- C27 H41 N O8 -","- C108 H164 N4 O32 -","4","1","XU5116","Wang, Xiong-Qing; Song, Qin; Guo, Xiao-Qiang; Yan, Jun","Deltaline from <i>Delphinium delavayi</i> Franch","Acta Crystallographica Section E","2011","67","2","o439","","10.1107/S1600536811001681","","","0.7107","MoKα","","0.0528","0.0384","","","0.0824","0.0852","","","","","","1.111","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229276","7.2722","0.0014","11.536","0.002","28.444","0.006","90","","90","","90","","2386.2","0.8","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis[4-(2-isopropyl-2<i>H</i>-tetrazol-5-yl)phenyl]dimethylsilane","","- C22 H28 N8 Si -","- C22 H28 N8 Si -","- C88 H112 N32 Si4 -","4","0.5","XU5118","Wang, Peng; Yue, Zheng; Zhang, Jie; Feng, Sheng-Yu","Bis[4-(2-isopropyl-2<i>H</i>-tetrazol-5-yl)phenyl]dimethylsilane","Acta Crystallographica Section E","2011","67","2","o368","","10.1107/S160053681100033X","","","0.71073","MoKα","","0.123","0.0875","","","0.1897","0.2071","","","","","","1.137","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229277","12.9094","0.0006","10.6947","0.0005","17.9676","0.0008","90","","90","","90","","2480.6","0.2","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(4<i>Z</i>)-4-[(2,6-Diisopropylanilino)(phenyl)methylidene]-3-methyl- 1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C29 H31 N3 O -","- C29 H31 N3 O -","- C116 H124 N12 O4 -","4","1","XU5120","Lai, Shu-Ling; Chang, Ching-Yao","(4<i>Z</i>)-4-[(2,6-Diisopropylanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o324","","10.1107/S1600536811000602","","","1.54178","CuKα","","0.0369","0.036","","","0.0994","0.1001","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229278","11.6943","0.0009","4.5392","0.0004","14.1636","0.0012","90","","90.046","0.002","90","","751.84","0.11","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-pyridine-2,3-dicarboxylato)lead(II)]","","- C7 H3 N O4 Pb -","- C7 H3 N O4 Pb -","- C28 H12 N4 O16 Pb4 -","4","1","XU5124","Lush, Shie Fu; Shen, Fwu Ming","Poly[(μ~4~-pyridine-2,3-dicarboxylato)lead(II)]","Acta Crystallographica Section E","2011","67","2","m163","m164","10.1107/S1600536811000419","","","0.71073","MoKα","","0.075","0.0727","","","0.1982","0.2035","","","","","","1.133","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229279","7.8238","0.0008","8.4791","0.0011","14.9867","0.0013","76.365","0.007","89.384","0.005","62.647","0.004","852.65","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(3-Chloro-4-ethoxybenzoyl)-<i>N</i>'-(2-methoxyphenyl)thiourea","","- C17 H17 Cl N2 O3 S -","- C17 H17 Cl N2 O3 S -","- C34 H34 Cl2 N4 O6 S2 -","2","1","XU5125","Hu, Jing-Han; Luo, Zhong-Yi; Ding, Chen-Fei; Song, Xiao-Li","<i>N</i>-(3-Chloro-4-ethoxybenzoyl)-<i>N</i>'-(2-methoxyphenyl)thiourea","Acta Crystallographica Section E","2011","67","2","o376","","10.1107/S1600536810054644","","","0.71073","MoKα","","0.0725","0.0608","","","0.1993","0.2159","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229280","16.987","0.005","9.635","0.003","31.982","0.01","90","","90","","90","","5234","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2-{5-[(2-carboxyphenyl)sulfanylmethyl]-2,4-dimethylbenzylsulfanyl}benzoato-\ κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)iron(II)","","- C58 H52 Fe N2 O8 S4 -","- C58 H52 Fe N2 O8 S4 -","- C232 H208 Fe4 N8 O32 S16 -","4","0.5","XU5127","Xu, Yu-Min; Hu, Tuo-Ping","Bis(2-{5-[(2-carboxyphenyl)sulfanylmethyl]-2,4-dimethylbenzylsulfanyl}benzoato-κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2011","67","2","m159","","10.1107/S1600536810054619","","","0.71073","MoKα","","0.1026","0.0474","","","0.0945","0.1135","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229281","7.3327","0.0004","17.3786","0.0009","13.3859","0.0007","90","","98.149","0.002","90","","1688.57","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium]- μ~3~-4-nitrophthalato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']","","- C18 H11 Cd N3 O6 -","- C18 H11 Cd N3 O6 -","- C72 H44 Cd4 N12 O24 -","4","1","XU5128","Fan, Yang; Xu, Guo-Min; Lu, Hai-Ting; Li, Wei","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium]-μ~3~-4-nitrophthalato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']","Acta Crystallographica Section E","2011","67","2","m199","m200","10.1107/S1600536811000468","","","0.71073","MoKα","","0.0254","0.0218","","","0.0507","0.0526","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229282","10.485","0.002","7.7016","0.0015","17.254","0.004","90","","106.67","0.03","90","","1334.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diethylenetriaminium pyridine-2,5-dicarboxylate","2,2'-Azanediyldiethanaminium pyridine-2,5-dicarboxylate","","- C11 H18 N4 O4 -","- C11 H18 N4 O4 -","- C44 H72 N16 O16 -","4","1","XU5129","Aghabozorg, Hossein; Saemi, Maryam; Khazaei, Zeynab; Amani, Vahid; Notash, Behrouz","2,2'-Azanediyldiethanaminium pyridine-2,5-dicarboxylate","Acta Crystallographica Section E","2011","67","2","o292","","10.1107/S1600536810054413","","","0.71073","MoKα","","0.1237","0.0867","","","0.1682","0.1841","","","","","","1.177","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229283","9.9864","0.0002","17.1899","0.0003","11.0792","0.0002","90","","113.54","0.001","90","","1743.64","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclohexyl-3-methylsulfinyl-2-phenyl-1-benzofuran","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C84 H88 O8 S4 -","4","1","XU5130","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-3-methylsulfinyl-2-phenyl-1-benzofuran","Acta Crystallographica Section E","2011","67","2","o281","","10.1107/S1600536810054358","","","0.71073","MoKα","","0.0525","0.0395","","","0.0958","0.1034","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229284","8.959","0.003","9.429","0.003","14.582","0.004","98.115","0.006","95.501","0.006","105.03","0.006","1166.4","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","Poly[triaquatris(μ~4~-pyridine-3,5-dicarboxylato)dicerium(III)]","","- C21 H15 Ce2 N3 O15 -","- C21 H15 Ce2 N3 O15 -","- C42 H30 Ce4 N6 O30 -","2","1","XU5131","Shen, Fwu Ming; Lush, Shie Fu","Poly[triaquatris(μ~4~-pyridine-3,5-dicarboxylato)dicerium(III)]","Acta Crystallographica Section E","2011","67","2","m161","m162","10.1107/S1600536811000286","","","0.71073","MoKα","","0.1174","0.0413","","","0.0628","0.0759","","","","","","0.735","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229285","6.629","0.003","8.371","0.004","20.329","0.009","90","","99.181","0.005","90","","1113.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(<i>E</i>)-(1-Phenylethylidene)amino]urea methanol monosolvate","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","XU5132","Liu, Guang-Bin; Chen, Peng-Sheng; Liu, Chang-Xiang; Fu, Ling; Nie, Xu-Liang","[(<i>E</i>)-(1-Phenylethylidene)amino]urea methanol monosolvate","Acta Crystallographica Section E","2011","67","2","o345","","10.1107/S1600536811000225","","","0.71073","MoKα","","0.0581","0.044","","","0.1179","0.1275","","","","","","1.071","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229286","7.546","0.0007","14.8102","0.0004","11.5773","0.0003","90","","109.905","0.001","90","","1216.56","0.12","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","Triamcinolone acetonide acetate","2-(4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo- 2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa- pentaleno[2,1-<i>a</i>]phenanthren-6b-yl)-2-oxoethyl acetate","","- C26 H33 F O7 -","- C26 H33 F O7 -","- C52 H66 F2 O14 -","2","1","XU5133","Lu, Xiao; Tang, Gu-Ping; Gu, Jian-Ming; Hu, Xiu-Rong","Triamcinolone acetonide acetate","Acta Crystallographica Section E","2011","67","2","o360","","10.1107/S1600536811000316","","","0.71073","MoKα","","0.0465","0.035","","","0.0851","0.0997","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229287","7.427","0.005","17.708","0.005","18.748","0.005","90","","90","","90","","2465.7","1.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Carboxyphenyl)-1<i>H</i>-imidazol-3-ium chloride dihydrate","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C80 H104 Cl8 N16 O32 -","8","1","XU5134","Yu, Zhi-Peng; Geng, Wen-Qian; Kong, Lin; Zhou, Hong-Ping","1-(4-Carboxyphenyl)-1<i>H</i>-imidazol-3-ium chloride dihydrate","Acta Crystallographica Section E","2011","67","2","o452","","10.1107/S1600536811001838","","","0.71069","MoKα","","0.0652","0.0398","","","0.1187","0.1455","","","","","","0.955","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229288","8.7665","0.0018","11.605","0.003","21.392","0.005","90","","90","","90","","2176.3","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-5-Benzenecarbothioyl-1,11-dimethyl-6-phenyl-5<i>H</i>- dibenzo[<i>d</i>,<i>f</i>][1,3]diazepine","","- C28 H22 N2 S -","- C28 H22 N2 S -","- C112 H88 N8 S4 -","4","1","XU5136","Zhang, Jia-Xin; Ng, Seik Weng","(<i>Z</i>)-5-Benzenecarbothioyl-1,11-dimethyl-6-phenyl-5<i>H</i>-dibenzo[<i>d</i>,<i>f</i>][1,3]diazepine","Acta Crystallographica Section E","2011","67","2","o364","","10.1107/S1600536811000092","","","0.7107","MoKα","","0.0461","0.0392","","","0.0817","0.0852","","","","","","0.992","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229289","8.6969","0.0005","16.6024","0.001","16.6881","0.001","90","","104.936","0.001","90","","2328.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1'-Di-<i>n</i>-butyl-4,4'-bipyridinium 2.375-bromido-1.625-chloridocadmate","","- C18 H26 Br2.375 Cd Cl1.625 N2 -","- C18 H26 Br2.375 Cd Cl1.625 N2 -","- C72 H104 Br9.5 Cd4 Cl6.5 N8 -","4","1","XU5137","Wang, Wei-Juan; Yue, Jun-Ming; Niu, Yun-Yin; Ng, Seik Weng","1,1'-Di-<i>n</i>-butyl-4,4'-bipyridinium 2.375-bromido-1.625-chloridocadmate","Acta Crystallographica Section E","2011","67","2","m158","","10.1107/S1600536811000080","","","0.71073","MoKα","","0.0422","0.0311","","","0.0734","0.0781","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229290","12.8334","0.0003","12.356","0.0002","9.3922","0.0002","90","","105.965","0.002","90","","1431.87","0.05","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one","","- C17 H16 F N O -","- C17 H16 F N O -","- C68 H64 F4 N4 O4 -","4","1","XU5139","Jasinski, Jerry P.; Butcher, Ray J.; Siddaraju, B. P.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","2","o313","o314","10.1107/S1600536811000377","","","0.71073","MoKα","","0.0753","0.0585","","","0.1814","0.1966","","","","","","1.095","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229291","11.26","0.002","11.888","0.002","18.978","0.004","90","","90","","90","","2540.4","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[1-(4-Chlorophenyl)ethyl]-1,3-thiazinane-2-thione","","- C12 H14 Cl N S2 -","- C12 H14 Cl N S2 -","- C96 H112 Cl8 N8 S16 -","8","1","XU5140","Gong, Yuan-Yuan; Zhang, Peng; Wang, Ming-Hui","3-[1-(4-Chlorophenyl)ethyl]-1,3-thiazinane-2-thione","Acta Crystallographica Section E","2011","67","2","o514","","10.1107/S1600536811002078","","","0.71073","MoKα","","0.0451","0.0382","","","0.0847","0.0885","","","","","","1.108","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229292","7.3693","0.0006","9.3457","0.0008","11.993","0.0009","71.681","0.007","76.78","0.006","77.118","0.007","753.07","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-methanolato-bis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>- 1,2,4-triazolido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido- tetrakis[dimethyltin(IV)]","","- C16 H38 N6 O4 S2 Sn4 -","- C16 H38 N6 O4 S2 Sn4 -","- C16 H38 N6 O4 S2 Sn4 -","1","0.5","XU5141","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Di-μ~2~-methanolato-bis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazolido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido-tetrakis[dimethyltin(IV)]","Acta Crystallographica Section E","2011","67","2","m242","","10.1107/S1600536811001905","","","0.71073","MoKα","","0.0315","0.0238","","","0.0433","0.0465","","","","","","0.975","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229293","12.3387","0.0003","12.9885","0.0004","16.7968","0.0005","81.437","0.003","83.636","0.002","88.474","0.002","2645.32","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-methanolato-bis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>- 1,2,4-triazolido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido- tetrakis[dibutyltin(IV)]","","- C40 H86 N6 O4 S2 Sn4 -","- C40 H86 N6 O4 S2 Sn4 -","- C80 H172 N12 O8 S4 Sn8 -","2","1","XU5142","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Di-μ~2~-methanolato-bis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazolido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido-tetrakis[dibutyltin(IV)]","Acta Crystallographica Section E","2011","67","2","m243","","10.1107/S1600536811001917","","","0.71073","MoKα","","0.0559","0.0366","","","0.0657","0.0777","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229294","5.49518","0.00012","12.1422","0.0003","19.0529","0.0005","90","","90","","90","","1271.28","0.05","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(Dibenzo[<i>b</i>,<i>d</i>]thiophen-4-yl)tellanyl]methanethiol","{8-thiatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,5,10,12-hexaen-6- yltellanyl}methanethiol","","- C13 H10 S2 Te -","- C13 H10 S2 Te -","- C52 H40 S8 Te4 -","4","1","XU5144","Liang, Zuo-Qin; Tao, Xu-Tang","[(Dibenzo[<i>b</i>,<i>d</i>]thiophen-4-yl)tellanyl]methanethiol","Acta Crystallographica Section E","2011","67","2","o519","","10.1107/S160053681100273X","","","0.7107","MoKα","","0.038","0.0337","","","0.0812","0.083","","","","","","0.977","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229295","7.2731","0.0011","9.7123","0.0015","12.2887","0.0019","98.447","0.003","103.283","0.003","91.564","0.003","834","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-pyridine-2,5-dicarboxylato)-\ κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^- bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] dihydrate","","- C34 H30 Co2 N6 O12 -","- C34 H30 Co2 N6 O12 -","- C34 H30 Co2 N6 O12 -","1","0.5","XU5145","Lush, Shie Fu","Bis(μ-pyridine-2,5-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] dihydrate","Acta Crystallographica Section E","2011","67","2","m278","m279","10.1107/S1600536811003059","","","0.71073","MoKα","","0.065","0.056","","","0.1405","0.1453","","","","","","1.135","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229296","8.4844","0.0005","9.7845","0.0006","11.2568","0.0006","86.258","0.005","71.412","0.005","64.707","0.006","798.08","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis[5-chloro-2-(prop-2-yn-1-yloxy)phenyl]methane","","- C19 H14 Cl2 O2 -","- C19 H14 Cl2 O2 -","- C38 H28 Cl4 O4 -","2","1","XU5147","Ali, Qamar; Anis, Itrat; Raza Shah, M.; Ng, Seik Weng","Bis[5-chloro-2-(prop-2-yn-1-yloxy)phenyl]methane","Acta Crystallographica Section E","2011","67","2","o530","","10.1107/S1600536811003205","","","0.71073","MoKα","","0.0485","0.0375","","","0.0879","0.0988","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229297","8.0294","0.0002","17.9415","0.0005","17.5258","0.0004","90","","96.66","0.002","90","","2507.72","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-Dimethoxybenzaldehyde azine","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C108 H120 N12 O24 -","6","1.5","XU5148","Ali, Qamar; Anis, Itrat; Raza Shah, M.; Ng, Seik Weng","2,3-Dimethoxybenzaldehyde azine","Acta Crystallographica Section E","2011","67","2","o531","","10.1107/S1600536811003217","","","0.71073","MoKα","","0.0614","0.0463","","","0.1134","0.1251","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229298","13.913","0.006","12.867","0.005","7.652","0.003","90","","98.739","0.005","90","","1353.9","0.9","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Benzaldehyde (2,4,6-trichlorophenyl)hydrazone","","- C13 H9 Cl3 N2 -","- C13 H9 Cl3 N2 -","- C52 H36 Cl12 N8 -","4","1","XU5149","Huang, Yan-Lan; Li, Deng-Feng; Sun, Jian; Gao, Jin-Hua; Shan, Shang","(<i>E</i>)-Benzaldehyde (2,4,6-trichlorophenyl)hydrazone","Acta Crystallographica Section E","2011","67","2","o528","","10.1107/S160053681100328X","","","0.71073","MoKα","","0.0539","0.0407","","","0.0977","0.1045","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229299","19.2761","0.0007","12.1131","0.0004","11.7267","0.0005","90","","111.682","0.004","90","","2544.38","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>tert</i>-Butyl 2-(4-nitrophenoxy)acetate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","XU5151","Ali, Qamar; Anis, Itrat; Raza Shah, M.; Ng, Seik Weng","<i>tert</i>-Butyl 2-(4-nitrophenoxy)acetate","Acta Crystallographica Section E","2011","67","2","o532","","10.1107/S1600536811003229","","","0.71073","MoKα","","0.0678","0.0465","","","0.1033","0.1204","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229300","8.9849","0.0005","11.8327","0.0006","13.7768","0.0006","79.804","0.004","74.115","0.004","88.094","0.004","1386.33","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Di-<i>tert</i>-Butyl 2,2'-[2,2'-methylenebis(naphthalene-2,1-diyldioxy)]diacetate","","- C33 H36 O6 -","- C33 H36 O6 -","- C66 H72 O12 -","2","1","XU5152","Ali, Qamar; Anis, Itrat; Raza Shah, M.; Ng, Seik Weng","Di-<i>tert</i>-Butyl 2,2'-[2,2'-methylenebis(naphthalene-2,1-diyldioxy)]diacetate","Acta Crystallographica Section E","2011","67","2","o533","","10.1107/S1600536811003291","","","0.71073","MoKα","","0.1385","0.0697","","","0.1302","0.1713","","","","","","1.032","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229301","14.9822","0.0006","14.6274","0.0006","27.1356","0.001","90","","104.981","0.001","90","","5744.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[μ~2~-Bis(diphenylphosphanyl)methane][μ~3~-bis(diphenylphosphanyl)methyl]\ trichloridotetragold(I) tetrahydrofuran disolvate","","- C58 H59 Au4 Cl3 O2 P4 -","- C58 H59 Au4 Cl3 O2 P4 -","- C232 H236 Au16 Cl12 O8 P16 -","4","1","YA2134","Wang, Huan-Huan; Gao, Qian; Cui, Yue; Wang, Lin; Xie, Ya-Bo","[μ~2~-Bis(diphenylphosphanyl)methane][μ~3~-bis(diphenylphosphanyl)methyl]trichloridotetragold(I) tetrahydrofuran disolvate","Acta Crystallographica Section E","2011","67","2","m150","m151","10.1107/S1600536810054115","","","0.71073","MoKα","","0.036","0.027","","","0.056","0.058","","","","","","0.99","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229302","16.231","0.0003","27.5129","0.0007","13.4385","0.0002","90","","119.405","0.0012","90","","5228","0.19","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4-cyanophenolato)(1,2,3,4,8,9,10,11,15,16,17,18-dodecafluoro-7,12:14,19- diimino-21,5-nitrilo-5H- tribenzo[c,h,m][1,6,11]triazacyclopentadecinato)boron","","- C31 H16 B N7 O -","- C31 H16 B N7 O -","- C248 H128 B8 N56 O8 -","8","1","ZL2323","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","(4-Cyanophenolato)(subphthalocyaninato)boron","Acta Crystallographica Section E","2011","67","2","o505","o506","10.1107/S1600536811000869","","","0.71073","MoKα","","0.0719","0.0486","","","0.1294","0.1412","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229303","8.1747","0.0005","9.3365","0.0005","10.9183","0.0006","73.926","0.005","84.766","0.005","77.247","0.005","780.58","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(benzylamino)pyridine-κ<i>N</i>^1^]bis(2-formylphenolato- κ^2^<i>O</i>,<i>O</i>')nickel(II)","","- C38 H34 N4 Ni O4 -","- C38 H34 N4 Ni O4 -","- C38 H34 N4 Ni O4 -","1","0.5","ZL2338","Ayikoé, Kouassi; Butcher, Ray J.; Gultneh, Yilma","Bis[2-(benzylamino)pyridine-κ<i>N</i>^1^]bis(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2011","67","2","m207","m208","10.1107/S1600536811001425","","","0.71073","MoKα","","0.0451","0.0341","","","0.084","0.0864","","","","","","1.049","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229304","11.5049","0.0011","11.9482","0.0005","12.1078","0.0013","90","","102.612","0.005","90","","1624.2","0.2","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","1","ZL2346","Kuhlich, Paul; Emmerling, Franziska; Piechotta, Christian; Nehls, Irene","Methyl 3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (AHTN‒COOMe)","Acta Crystallographica Section E","2011","67","2","o485","","10.1107/S1600536811002601","","","1.54178","CuKα","","0.0562","0.0538","","","0.1486","0.1516","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229305","7.6696","0.0001","8.6308","0.0001","12.3225","0.0002","96.084","0.001","91.51","0.001","113.609","0.001","741.081","0.019","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-3-(4-fluorophenylsulfinyl)-2,7-dimethyl-1-benzofuran","","- C16 H12 Br F O2 S -","- C16 H12 Br F O2 S -","- C32 H24 Br2 F2 O4 S2 -","2","1","ZQ2078","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Bromo-3-(4-fluorophenylsulfinyl)-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","2","o351","","10.1107/S1600536810049986","","","0.71073","MoKα","","0.0341","0.028","","","0.0712","0.0738","","","","","","1.068","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229306","7.5318","0.0017","16.587","0.004","11.22","0.003","90","","90","","90","","1401.7","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Chloro-1-(4-methoxybenzyl)indoline-2,3-dione","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C64 H48 Cl4 N4 O12 -","4","1","ZQ2080","Wu, Weiyao; Zheng, Tingting; Cao, Shengli; Xiao, Zhichang","5-Chloro-1-(4-methoxybenzyl)indoline-2,3-dione","Acta Crystallographica Section E","2011","67","2","o246","","10.1107/S1600536810052876","","","0.71073","MoKα","","0.0741","0.0396","","","0.0777","0.0907","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229307","5.3521","0.0005","15.5146","0.0016","15.5615","0.0014","114.351","0.002","95.145","0.001","97.072","0.001","1154.07","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","6-Oxo-5-[(trifluoromethyl)sulfonyl]-1,2,4a,5,6,11b-hexahydro-1,3- dioxolo[4,5-<i>j</i>]phenanthridin-2-yl benzoate","","- C22 H16 F3 N O7 S -","- C22 H16 F3 N O7 S -","- C44 H32 F6 N2 O14 S2 -","2","1","ZQ2082","Wu, Chunli; Li, Pan; Shi, Xiufang; Pan, Xiaotao; Wu, Jizhou","6-Oxo-5-[(trifluoromethyl)sulfonyl]-1,2,4a,5,6,11b-hexahydro-1,3-dioxolo[4,5-<i>j</i>]phenanthridin-2-yl benzoate","Acta Crystallographica Section E","2011","67","2","o382","","10.1107/S1600536811001085","","","0.71073","MoKα","","0.1234","0.066","","","0.1448","0.1627","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229308","8.179","0.003","10.769","0.004","11.928","0.004","101.506","0.005","90.842","0.005","107.944","0.004","976.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis[1-benzyl-3-(quinolin-8-ylmethyl)-2,3-dihydro-1<i>H</i>-imidazol-2- yl]dibromidopalladium(II) acetonitrile disolvate","","- C44 H40 Br2 N8 Pd -","- C44 H40 Br2 N8 Pd -","- C44 H40 Br2 N8 Pd -","1","0.5","ZQ2083","Sun, Jiafeng; Wang, Guixiang","Bis[1-benzyl-3-(quinolin-8-ylmethyl)-2,3-dihydro-1<i>H</i>-imidazol-2-yl]dibromidopalladium(II) acetonitrile disolvate","Acta Crystallographica Section E","2011","67","2","m165","","10.1107/S1600536811000973","","","0.71073","MoKα","","0.0865","0.0604","","","0.1511","0.1724","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229309","7.6294","0.0015","9.5964","0.0019","10.202","0.002","84.19","0.03","80.63","0.03","70.93","0.03","695.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[2-(pyridin-2-yldisulfanyl)pyridine- κ^2^<i>N</i>,<i>S</i>]copper(I)]-μ~1,5~-dicyanamido]","","- C12 H8 Cu N5 S2 -","- C12 H8 Cu N5 S2 -","- C24 H16 Cu2 N10 S4 -","2","1","ZQ2085","Wu, Shixi; Jiang, Wei; Li, Fengsheng; Liu, Li","<i>catena</i>-Poly[[[2-(pyridin-2-yldisulfanyl)pyridine-κ^2^<i>N</i>,<i>S</i>]copper(I)]-μ~1,5~-dicyanamido]","Acta Crystallographica Section E","2011","67","2","m285","","10.1107/S1600536811002728","","","0.71073","MoKα","","0.0334","0.0281","","","0.0782","0.0809","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229310","9.162","0.0018","10.979","0.002","13.12","0.003","100.82","0.03","109.04","0.03","104.16","0.03","1157","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4-[Bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)methyl]- 2,6-dimethoxyphenol","3-Hydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)(2-hydroxy-4,4-dimethyl-6- oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one","","- C25 H32 O7 -","- C25 H32 O7 -","- C50 H64 O14 -","2","1","ZS2081","Yang, Xiao-Hui; Zhou, Yong-Hong; Zhang, Meng; Hu, Li-Hong","3-Hydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2011","67","2","o492","","10.1107/S1600536811002698","","","0.71073","MoKα","","0.1016","0.0589","","","0.1547","0.1842","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229311","25.69","0.004","4.8946","0.0005","11.097","0.002","90","","105.746","0.006","90","","1343","0.4","90","0.5","90","0.5","","","","","","","","3","C 1 2/c 1","-C 2yc","15","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C56 H48 O40 -","8","1","ZS2084","Zhao, Jianping; Khan, Ikhlas A.; Fronczek, Frank R.","Gallic acid","Acta Crystallographica Section E","2011","67","2","o316","o317","10.1107/S1600536811000262","","","0.71073","MoKα","","0.038","0.034","","","0.1","0.103","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229312","18.8394","0.0016","10.6049","0.0009","23.171","0.002","90","","102.998","0.002","90","","4510.7","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Acetonitrile{3-[bis(2-pyridylmethyl-κ<i>N</i>)amino-κ<i>N</i>]propanol- κ<i>O</i>}(perchlorato-κ<i>O</i>)copper(II) perchlorate","","- C17 H22 Cl2 Cu N4 O9 -","- C17 H22 Cl2 Cu N4 O9 -","- C136 H176 Cl16 Cu8 N32 O72 -","8","1","ZS2085","Shin, Jong Won; Rowthu, Sankara Rao; Cho, Hyun Jung; Min, Kil Sik","Acetonitrile{3-[bis(2-pyridylmethyl-κ<i>N</i>)amino-κ<i>N</i>]propanol-κ<i>O</i>}(perchlorato-κ<i>O</i>)copper(II) perchlorate","Acta Crystallographica Section E","2011","67","2","m143","m144","10.1107/S1600536810053985","","","0.71073","MoKα","","0.122","0.0607","","","0.1303","0.1875","","","","","","1.113","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229313","17.604","0.004","10.199","0.002","19.241","0.004","90","","90","","90","","3454.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>rac</i>-4-Amino-1-(2-benzoyl-1-phenylethyl)-3-methyl-1<i>H</i>- 1,2,4-triazole-5(4<i>H</i>)-thione","","- C18 H18 N4 O S -","- C18 H18 N4 O S -","- C144 H144 N32 O8 S8 -","8","1","ZS2086","Wang, Wei; Gao, Yan; Xiao, Zuo-bing; Yao, Hong-guo; Zhang, Jing-jing","<i>rac</i>-4-Amino-1-(2-benzoyl-1-phenylethyl)-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","2","o348","","10.1107/S1600536810054255","","","0.71073","MoKα","","0.0685","0.0551","","","0.1292","0.1372","","","","","","1.131","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229314","7.498","0.005","12.823","0.005","24.924","0.005","90","","92.185","0.005","90","","2394.6","1.9","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>-[4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazol-2-yl]- <i>N</i>'-(naphthalen-1-ylmethylidene)acetohydrazide","","- C27 H24 Cl N3 O S -","- C27 H24 Cl N3 O S -","- C108 H96 Cl4 N12 O4 S4 -","4","1","ZS2087","Inkaya, Ersin; Dinçer, Muharrem; Çukurovalı, Alaaddin; Yılmaz, Engin","2-Chloro-<i>N</i>-[4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazol-2-yl]-<i>N</i>'-(naphthalen-1-ylmethylidene)acetohydrazide","Acta Crystallographica Section E","2011","67","2","o310","","10.1107/S1600536811000183","","","0.71069","MoKα","","0.2334","0.0689","","","0.1096","0.1557","","","","","","0.896","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229315","16.905","0.002","16.905","","9.622","0.0019","90","","90","","90","","2749.8","0.6","188","2","188","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Chloridonitrosyl[<i>meso</i>-5,10,15,20-tetrakis(<i>p</i>-tolyl)porphyrinato- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')osmium(II) tetrahydrofuran tetrasolvate","","- C64 H68 Cl N5 O5 Os -","- C64 H68 Cl0.997 N4.997 O4.997 Os -","- C128 H136 Cl1.994 N9.994 O9.994 Os2 -","2","0.25","NG5100","Chen, Li; Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.","Chloridonitrosyl[<i>meso</i>-5,10,15,20-tetrakis(<i>p</i>-tolyl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']osmium(II) tetrahydrofuran tetrasolvate","Acta Crystallographica Section E","2011","67","2","m224","","10.1107/S1600536811001401","","","0.71073","MoKα","","0.023","0.0215","","","0.0569","0.058","","","","","","0.968","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229316","5.7611","0.0005","7.8329","0.0007","11.2016","0.001","83.852","0.007","75.373","0.007","76.353","0.007","474.69","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(4-Chlorobenzylidene)thiosemicarbazide","","- C8 H8 Cl N3 S -","- C8 H8 Cl N3 S -","- C16 H16 Cl2 N6 S2 -","2","1","BG2386","Saeed, Aamer; Mahmood, Shams-ul; Bolte, Michael; Rauf, Abdul; Subhan, Mohammad","(<i>E</i>)-1-(4-Chlorobenzylidene)thiosemicarbazide","Acta Crystallographica Section E","2011","67","3","o649","","10.1107/S1600536811004120","","","0.71073","MoKα","","0.0319","0.0294","","","0.0773","0.0789","","","","","","1.099","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229317","27.95","0.002","27.95","0.002","5.8035","0.0005","90","","90","","120","","3926.3","0.5","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","[(1<i>R</i>,3<i>S</i>)-6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin- 3-yl]methanol 2.33-hydrate","","- C18 H25.67 N O5.33 -","- C18 H25.6667 N O5.33333 -","- C162 H231 N9 O48 -","9","1","BG2388","Chakka, Sai Kumar; McKay, Michael G.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","[(1<i>R</i>,3<i>S</i>)-6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol 2.33-hydrate","Acta Crystallographica Section E","2011","67","3","o700","","10.1107/S1600536811006052","","","0.71073","MoKα","","0.0663","0.0561","","","0.1541","0.1623","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229318","9.1906","0.0008","12.2604","0.001","14.7499","0.0012","90","","90","","90","","1662","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dibromido{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium","","- C13 H19 Br2 Cd N3 O -","- C13 H19 Br2 Cd N3 O -","- C52 H76 Br8 Cd4 N12 O4 -","4","1","BG2390","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dibromido{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium","Acta Crystallographica Section E","2011","67","3","m347","","10.1107/S160053681100554X","","","0.71073","MoKα","","0.0232","0.0207","","","0.0405","0.041","","","","","","1.094","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229319","6.7632","0.0003","12.5906","0.0006","13.8769","0.0006","85.641","0.004","89.337","0.003","84.254","0.004","1172.31","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","1-{5-[(<i>E</i>)-(2-fluorophenyl)diazenyl]-2-hydroxyphenyl}ethanone","","- C14 H11 F N2 O2 -","- C14 H11 F N2 O2 -","- C56 H44 F4 N8 O8 -","4","2","BH2334","Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, Ismail; Şenel, Ismet; Büyükgüngör, Orhan","1-{5-[(<i>E</i>)-(2-Fluorophenyl)diazenyl]-2-hydroxyphenyl}ethanone","Acta Crystallographica Section E","2011","67","3","o639","","10.1107/S1600536811004909","","","0.71073","MoKα","","0.048","0.0364","","","0.0988","0.1041","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229320","14.8315","0.0005","7.5573","0.0002","13.502","0.0004","90","","102.578","0.003","90","","1477.07","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{5-[(<i>E</i>)-(4-Propylphenyl)diazenyl]-2-hydroxyphenyl}ethanone","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","BH2335","Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, Ismail; Şenel, Ismet; Büyükgüngör, Orhan","1-{5-[(<i>E</i>)-(4-Propylphenyl)diazenyl]-2-hydroxyphenyl}ethanone","Acta Crystallographica Section E","2011","67","3","o640","","10.1107/S1600536811004910","","","0.71073","MoKα","","0.0407","0.035","","","0.0934","0.0967","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229321","7.3664","0.0015","13.849","0.003","20.296","0.004","90","","99.26","0.03","90","","2043.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>-((<i>E</i>)-2-{[2-(Dimethylamino)ethyl]iminomethyl}phenyl)- <i>N</i>-(2,6-dimethylphenyl)anilinido- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ethylzinc","","- C21 H29 N3 Zn -","- C21 H29 N3 Zn -","- C84 H116 N12 Zn4 -","4","1","BH2336","Issa-Madongo, Mathurin; Mu, Ying","[<i>N</i>-((<i>E</i>)-2-{[2-(Dimethylamino)ethyl]iminomethyl}phenyl)-<i>N</i>-(2,6-dimethylphenyl)anilinido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ethylzinc","Acta Crystallographica Section E","2011","67","3","m364","","10.1107/S1600536811005514","","","0.71073","MoKα","","0.126","0.0714","","","0.1577","0.189","","","","","","0.961","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229322","9.1097","0.0006","18.1946","0.0011","13.7769","0.0005","90","","93.405","0.004","90","","2279.5","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[1-(3-{2-[(2-Hydroxybenzylidene)amino]phenoxy}propyl)-1<i>H</i>- 1,3-benzodiazol-2-yl]phenol","","- C29 H25 N3 O3 -","- C29 H25 N3 O3 -","- C116 H100 N12 O12 -","4","1","BH2338","Keypour, Hassan; Tamizi, Sareh; Dehghanpour, Saeed; Azadbakht, Reza; Khalaj, Mehdi","2-[1-(3-{2-[(2-Hydroxybenzylidene)amino]phenoxy}propyl)-1<i>H</i>-1,3-benzodiazol-2-yl]phenol","Acta Crystallographica Section E","2011","67","3","o657","o658","10.1107/S1600536811005319","","","0.71073","MoKα","","0.1127","0.0553","","","0.1128","0.1372","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229323","22.349","0.003","13.223","0.002","22.644","0.003","90","0.003","108.79","0.01","90","0.01","6335.1","1.6","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,8-Bis(3-chloroanilino)-<i>N</i>,<i>N</i>'-bis(3-chlorophenyl)octane- 1,8-diimine","","- C32 H30 Cl4 N4 -","- C32 H30 Cl4 N4 -","- C256 H240 Cl32 N32 -","8","1","BQ2276","Gowda, B. Thimme; Foro, Sabine; Rodrigues, Vinola Z.; Spandana, H. S.; Fuess, Hartmut","1,8-Bis(3-chloroanilino)-<i>N</i>,<i>N</i>'-bis(3-chlorophenyl)octane-1,8-diimine","Acta Crystallographica Section E","2011","67","3","o609","","10.1107/S1600536811004612","","","1.5418","CuKα","","0.1065","0.0798","","","0.2252","0.2513","","","","","","1.129","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229324","11.558","0.0007","9.9179","0.0006","13.9268","0.0007","90","","105.707","0.002","90","","1536.83","0.15","100","1","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2-Methyl-6-phenyl-1-propyl-1,4-dihydropyridin-4-ylidene)propanedinitrile","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","BQ2278","Kim, Young Hyun; Kim, Hyung Jin; Otgonbaatar, Enkhzul; Kwak, Chee-Hun","2-(2-Methyl-6-phenyl-1-propyl-1,4-dihydropyridin-4-ylidene)propanedinitrile","Acta Crystallographica Section E","2011","67","3","o670","","10.1107/S1600536811005587","","","0.71073","MoKα","","0.0717","0.049","","","0.118","0.1339","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229325","7.778","0.0005","31.457","0.002","9.956","0.0006","90","","90","","90","","2436","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4-Bis(4-butoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C112 H148 N4 O12 -","4","0.5","BQ2279","Parthiban, P.; Ramkumar, V.; Jeong, Yeon Tae","2,4-Bis(4-butoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2011","67","3","o635","","10.1107/S1600536811005058","","","0.71073","MoKα","","0.0933","0.056","","","0.1365","0.1634","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229326","13.3167","0.0006","13.3167","0.0006","31.1595","0.0014","90","","90","","90","","5525.7","0.4","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","2-Methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17- tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl)hept-2-enoic acid","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","1","BQ2281","Arfan, Mohammad; Rauf, Abdur; Tahir, M. Nawaz; Ali, Mumtaz; Uddin, Ghias","2-Methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl)hept-2-enoic acid","Acta Crystallographica Section E","2011","67","3","o711","","10.1107/S1600536811006283","","","0.71073","MoKα","","0.1016","0.0606","","","0.1582","0.1859","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229327","10.9417","0.0013","11.1563","0.0013","24.036","0.003","90","","96.381","0.002","90","","2915.9","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)[hydrotris(3,5- dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]chromium(III) tetrahydrofuran monosolvate","","- C24 H38 B Cl2 Cr N8 O -","- C24 H38 B Cl2 Cr N8 O -","- C96 H152 B4 Cl8 Cr4 N32 O4 -","4","1","BR2160","Yuan, Li-Li; Chen, Chen","Dichlorido(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)[hydrotris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]chromium(III) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2011","67","3","m349","","10.1107/S1600536811005344","","","0.71073","MoKα","","0.0956","0.0876","","","0.185","0.1891","","","","","","1.325","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229328","9.5753","0.0002","9.2549","0.0002","13.9095","0.0005","90","","97.519","0.003","90","","1222.04","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Azaniumylcarba-<i>closo</i>-dodecaborate ethanol monosolvate","","- C3 H20 B11 N O -","- C3 H20 B11 N O -","- C12 H80 B44 N4 O4 -","4","1","BR2161","Himmelspach, Alexander; Reiss, Guido J.; Finze, Maik","2-Azaniumylcarba-<i>closo</i>-dodecaborate ethanol monosolvate","Acta Crystallographica Section E","2011","67","3","o704","","10.1107/S1600536811006222","","","0.71073","MoKα","","0.0321","0.0288","","","0.068","0.0689","","","","","","1.017","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229329","9.3605","0.0005","10.8455","0.0005","17.5482","0.0009","88.716","0.003","80.425","0.002","71.467","0.002","1664.68","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(1-Phenylsulfonyl-1<i>H</i>-indol-2-yl)(thiophen-2-yl)methanone","","- C19 H13 N O3 S2 -","- C19 H13 N O3 S2 -","- C76 H52 N4 O12 S8 -","4","2","BT5452","KamalaKumar, C.; Dhayalan, V.; Mohanakrishnan, A. K.; Balasubramanian, V.; Manivannan, V.","(1-Phenylsulfonyl-1<i>H</i>-indol-2-yl)(thiophen-2-yl)methanone","Acta Crystallographica Section E","2011","67","3","o741","","10.1107/S1600536811005666","","","0.71073","MoKα","","0.0953","0.0767","","","0.2331","0.2453","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229330","8.9562","0.0018","9.882","0.002","16.111","0.003","89.78","0.03","76.22","0.03","84.8","0.03","1378.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethyl sulfoxide-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')bismuth(III)]- μ-5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^<i>,O</i>^1'^<i>: O</i>^3^<i>,O</i>^3'^] dimethyl sulfoxide monosolvate]","","- C23 H24 Bi N3 O11 S2 -","- C23 H24 Bi N3 O11 S2 -","- C46 H48 Bi2 N6 O22 S4 -","2","1","BT5453","Pasdar, Hoda; Namegh, Marjan; Aghabozorg, Hossein; Notash, Behrouz","<i>catena</i>-Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethyl sulfoxide-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')bismuth(III)]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^<i>,O</i>^1'^<i>:O</i>^3^<i>,O</i>^3'^] dimethyl sulfoxide monosolvate]","Acta Crystallographica Section E","2011","67","3","m353","m354","10.1107/S1600536811005745","","","0.71073","MoKα","","0.0929","0.072","","","0.1803","0.1951","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229331","18.719","0.004","10.536","0.002","18.781","0.004","90","","108.58","0.03","90","","3511","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-amino-6-methylpyridinium) tris(pyridine-2,6-dicarboxylato)zirconate(IV) dihydrate","","- C33 H31 N7 O14 Zr -","- C33 H31 N7 O14 Zr -","- C132 H124 N28 O56 Zr4 -","4","0.5","BT5467","Pasdar, Hoda; Ebdam, Ali; Aghabozorg, Hossein; Notash, Behrouz","Bis(2-amino-6-methylpyridinium) tris(pyridine-2,6-dicarboxylato)zirconate(IV) dihydrate","Acta Crystallographica Section E","2011","67","3","m294","","10.1107/S1600536811003072","","","0.71073","MoKα","","0.0279","0.0234","","","0.0586","0.06","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229332","5.5256","0.001","13.928","0.002","16.685","0.003","90","","90","","90","","1284.1","0.4","291","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>)-2-(Pyridin-4-ylmethylamino)cyclohexanaminium chloride","","- C12 H20 Cl N3 -","- C12 H20 Cl N3 -","- C48 H80 Cl4 N12 -","4","1","BT5470","Cheng, Lin; Zhang, Li-Min; Wang, Jian-Quan","(1<i>R</i>,2<i>R</i>)-2-(Pyridin-4-ylmethylamino)cyclohexanaminium chloride","Acta Crystallographica Section E","2011","67","3","o676","","10.1107/S1600536811005526","","","0.71073","MoKα","","0.0457","0.0408","","","0.0977","0.1024","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229333","17.347","0.005","8.724","0.002","7.274","0.001","90","","98.71","0.02","90","","1088.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl)acetate","","- C11 H11 N O3 S -","- C11 H11 N O3 S -","- C44 H44 N4 O12 S4 -","4","1","BT5472","Barryala, Yamna; Massip, Stéphane; Lazar, Saïd; Essassi, El Mokhtar; Zouihri, Hafid","Methyl 2-(3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl)acetate","Acta Crystallographica Section E","2011","67","3","o724","","10.1107/S1600536811006477","","","1.5418","CuKα","","0.0478","0.0433","","","0.1177","0.1229","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229334","14.1022","0.0002","6.6481","0.0001","15.2632","0.0002","90","","90.621","0.001","90","","1430.88","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","3β-acetoxy-12α-chloro-14α-izooleanano-28,14α-olide","3β-acetoxy-12α-chloro-D-friedooleanano-28,14β-olide","","- C32 H49 Cl O4 -","- C32 H49 Cl O4 -","- C64 H98 Cl2 O8 -","2","1","BT5473","Froelich, Anna; Kowiel, Marcin; Bednarczyk-Cwynar, Barbara; Zaprutko, Lucjusz; Gzella, Andrzej K.","3β-Acetoxy-12α-chloro-<small>D</small>-friedooleanan-28,14β-olide","Acta Crystallographica Section E","2011","67","3","o679","","10.1107/S160053681100585X","","","1.54184","CuKα","","0.0442","0.0429","","","0.1175","0.1188","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229335","8.1286","0.0001","33.5899","0.0005","9.4095","0.0002","90","","114.64","0.001","90","","2335.23","0.07","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethyl-3-tetradecyl-1<i>H</i>-1,5-benzodiazepine- 2,4(3<i>H</i>,5<i>H</i>)-dione","","- C25 H40 N2 O2 -","- C25 H40 N2 O2 -","- C100 H160 N8 O8 -","4","1","BT5477","Dardouri, Rachid; Ouazzani Chahdi, Fouad; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","1,3-Dimethyl-3-tetradecyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","3","o674","","10.1107/S1600536811005782","","","0.71073","MoKα","","0.0783","0.0465","","","0.1203","0.1385","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229336","11.7992","0.0012","8.094","0.0008","17.0196","0.0017","90","","107.489","0.001","90","","1550.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Piperidin-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-ol","","- C17 H27 N O -","- C17 H27 N O -","- C68 H108 N4 O4 -","4","1","BT5478","Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Allahverdiyev, Mirze A.; Ng, Seik Weng","1-(Piperidin-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-ol","Acta Crystallographica Section E","2011","67","3","o739","","10.1107/S1600536811006568","","","0.71073","MoKα","","0.0493","0.0395","","","0.1018","0.11","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229337","8.1821","0.0001","9.0741","0.0001","13.3792","0.0002","79.748","0.001","80.142","0.001","85.91","0.001","962.19","0.02","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","3-{[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,5-dimethyl- 1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","","- C21 H20 Cl N3 O3 -","- C21 H20 Cl N3 O3 -","- C42 H40 Cl2 N6 O6 -","2","1","BT5479","Dardouri, Rachida; Rodi, Youssef Kandri; Ladeira, Sonia; Essassi, El Mokhtar; Ng, Seik Weng","3-{[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","3","o720","","10.1107/S160053681100657X","","","0.71073","MoKα","","0.0692","0.0657","","","0.1796","0.1842","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229338","9.6149","0.0005","11.534","0.0006","13.2724","0.0007","82.459","0.001","79.28","0.001","67.369","0.001","1331.95","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>':<i>O</i>,<i>O</i>'- bis[(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato- κ^2^<i>O</i>,<i>O</i>')lead(II)]","","- C24 H20 N8 O8 Pb2 -","- C24 H20 N8 O8 Pb2 -","- C48 H40 N16 O16 Pb4 -","2","1","BT5480","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Bis(μ-<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>':<i>O</i>,<i>O</i>'-bis[(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","Acta Crystallographica Section E","2011","67","3","m377","","10.1107/S1600536811006775","","","0.71073","MoKα","","0.0303","0.026","","","0.0685","0.0706","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229339","7.7033","0.0004","15.9948","0.0008","18.8929","0.001","90","","100.919","0.001","90","","2285.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato- κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)","","- C24 H18 N6 O4 Pb -","- C24 H18 N6 O4 Pb -","- C96 H72 N24 O16 Pb4 -","4","1","BT5481","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Bis(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)","Acta Crystallographica Section E","2011","67","3","m378","","10.1107/S1600536811006787","","","0.71073","MoKα","","0.0223","0.0178","","","0.0449","0.0468","","","","","","0.905","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229340","17.191","0.003","7.308","0.001","17.843","0.005","90","","104.94","0.03","90","","2165.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Bis(2-pyridyl)amine-κ^2^<i>N</i>,<i>N</i>'](carbonato- κ^2^<i>O</i>,<i>O</i>')cobalt(III) nitrate","","- C21 H18 Co N7 O6 -","- C21 H18 Co N7 O6 -","- C84 H72 Co4 N28 O24 -","4","1","BT9068","Castillo, Oscar; Luque, Antonio; De la Pinta, Noelia; Román, Pascual","[Bis(2-pyridyl)amine-<i>N</i>,<i>N</i>'](nitrato-<i>O</i>,<i>O</i>')cobalt(II) nitrate. Corrigendum","Acta Crystallographica Section E","2011","67","3","e15","","10.1107/S1600536810050798","","","0.71073","MoKα","","0.0617","0.0311","","","0.0669","0.0756","","","","","","0.819","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229341","10.6957","0.0004","17.8368","0.0005","8.0527","0.0003","90","","91.991","0.002","90","","1535.34","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxyanilinium 3-hydroxy-2,4,6-trinitrophenolate","","- C13 H12 N4 O9 -","- C13 H12 N4 O9 -","- C52 H48 N16 O36 -","4","1","BV2174","Kalaivani, Doraisamyraja; Malarvizhi, Rangasamy; Thanigaimani, Kaliyaperumal; Muthiah, Packianathan Thomas","2-Methoxyanilinium 3-hydroxy-2,4,6-trinitrophenolate","Acta Crystallographica Section E","2011","67","3","o686","","10.1107/S1600536811005708","","","0.71073","MoKα","","0.0731","0.0501","","","0.127","0.1421","","","","","","1.038","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229342","7.9917","0.0012","8.8886","0.0011","18.9855","0.0018","90","","99.194","0.009","90","","1331.3","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","BV2176","Gültekin, Zeynep; Frey, Wolfgang; Tercan, Barış; Hökelek, Tuncer","Dimethyl 2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2011","67","3","o672","o673","10.1107/S1600536811005605","","","0.71073","MoKα","","0.0648","0.0517","","","0.1425","0.1587","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229343","8.8635","0.0008","12.1336","0.0012","19.107","0.002","79.166","0.008","80.147","0.008","78.266","0.008","1957.1","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","Acetonitrile[2-(1-{bis[2,4,6-tris(trifluoromethyl)phenyl]phosphanyloxy}- 1-methylethyl)pyridine]methylpalladium(II) hexafluoridoantimonate dichloromethane hemisolvate","","- C29.5 H21 Cl F24 N2 O P Pd Sb -","- C29.5 H21 Cl F24 N2 O P Pd Sb -","- C59 H42 Cl2 F48 N4 O2 P2 Pd2 Sb2 -","2","1","CV5026","Li, Liuzhong; White, Peter S.; Hao, Aiyou","Acetonitrile[2-(1-{bis[2,4,6-tris(trifluoromethyl)phenyl]phosphanyloxy}-1-methylethyl)pyridine]methylpalladium(II) hexafluoridoantimonate dichloromethane hemisolvate","Acta Crystallographica Section E","2011","67","3","m365","","10.1107/S1600536811005277","","","1.54178","CuKα","","0.0863","0.0664","","","0.1758","0.1914","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229344","30.748","0.003","7.1172","0.0008","22.113","0.002","90","","119.424","0.002","90","","4215","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis[(4-methoxycarbonyl)anilinium] hexachloridostannate(IV) dichloride","","- C32 H40 Cl8 N4 O8 Sn -","- C32 H40 Cl8 N4 O8 Sn -","- C128 H160 Cl32 N16 O32 Sn4 -","4","0.5","CV5035","Xiao, Wenzhi; Xue, Ruiting; Yin, Yansheng","Tetrakis[(4-methoxycarbonyl)anilinium] hexachloridostannate(IV) dichloride","Acta Crystallographica Section E","2011","67","3","m297","","10.1107/S1600536811003692","","","0.71073","MoKα","","0.0473","0.0307","","","0.0739","0.0898","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229345","8.9493","0.0003","9.2209","0.0003","15.8027","0.0006","98.438","0.001","91.91","0.001","101.156","0.001","1263","0.08","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,2',2''-(Nitrilotrimethylene)tris(1<i>H</i>-benzimidazol-3-ium) trinitrate","","- C24 H24 N10 O9 -","- C24 H24 N10 O9 -","- C48 H48 N20 O18 -","2","1","CV5044","Cui, Yi","2,2',2''-(Nitrilotrimethylene)tris(1<i>H</i>-benzimidazol-3-ium) trinitrate","Acta Crystallographica Section E","2011","67","3","o625","o626","10.1107/S160053681100393X","","","0.71073","MoKα","","0.0426","0.0335","","","0.0914","0.1025","","","","","","1.091","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229346","8.642","0.003","4.9702","0.0018","24.972","0.003","90","","95.14","0.02","90","","1068.3","0.6","90","1","90","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[2-(Acetamido)ethyl]-2-hydroxybenzamide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","1","CV5045","Kozłowski, Michał; Radecka-Paryzek, Wanda; Kubicki, Maciej","<i>N</i>-[2-(Acetamido)ethyl]-2-hydroxybenzamide","Acta Crystallographica Section E","2011","67","3","o559","","10.1107/S1600536811003680","","","0.71073","MoKα","","0.1026","0.0578","","","0.1295","0.1622","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229347","8.6993","0.0004","11.812","0.0005","18.1494","0.0008","78.557","0.002","82.007","0.002","79.526","0.002","1787.14","0.14","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","Acetonitrile[2-({bis[2,4,6- tris(trifluoromethyl)phenyl]phosphanyloxy}methyl)pyridine]methylpalladium(II) hexafluoridoantimonate dichloromethane hemisolvate","","- C27.5 H17 Cl F24 N2 O P Pd Sb -","- C27.5 H17 Cl F24 N2 O P Pd Sb -","- C55 H34 Cl2 F48 N4 O2 P2 Pd2 Sb2 -","2","1","CV5046","Li, Liuzhong; White, Peter S.; Hao, Aiyou","Acetonitrile[2-({bis[2,4,6-tris(trifluoridomethyl)phenyl]phosphanyloxy}methyl)pyridine]methylpalladium(II) hexafluoroantimonate dichloromethane hemisolvate","Acta Crystallographica Section E","2011","67","3","m366","","10.1107/S1600536811005757","","","1.54178","CuKα","","0.0392","0.0356","","","0.0905","0.093","","","","","","1.048","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229348","8.6579","0.0008","9.7394","0.0009","9.9188","0.0008","62.661","0.006","71.416","0.005","65.024","0.006","665.35","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-{[4-(pyridin-4-yl)pyrimidin-2-yl]sulfanyl}acetate","","- C13 H13 N3 O2 S -","- C13 H13 N3 O2 S -","- C26 H26 N6 O4 S2 -","2","1","CV5047","Wang, Chuan-Hu","Ethyl 2-{[4-(pyridin-4-yl)pyrimidin-2-yl]sulfanyl}acetate","Acta Crystallographica Section E","2011","67","3","o690","","10.1107/S1600536811004272","","","0.71073","MoKα","","0.0499","0.0379","","","0.1072","0.1154","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229349","13.317","0.001","14.817","0.002","8.571","0.001","90","","92.923","0.009","90","","1689","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-5-chloropyridinium) tetrachloridozincate","","- C10 H12 Cl6 N4 Zn -","- C10 H12 Cl6 N4 Zn -","- C40 H48 Cl24 N16 Zn4 -","4","1","CV5049","Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frederic; Ben Nasr, Cherif","Bis(2-amino-5-chloropyridinium) tetrachloridozincate","Acta Crystallographica Section E","2011","67","3","m355","m356","10.1107/S1600536811005691","","","0.7107","MoKα","","0.0652","0.0514","","0.1075","0.0996","0.1075","","","","","","1.0226","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229350","10.1908","0.0009","11.4832","0.001","10.9083","0.001","90","","107.6","0.001","90","","1216.77","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2-iodothiophen-3-yl)methanone","","- C9 H4 I2 O S2 -","- C9 H4 I2 O S2 -","- C36 H16 I8 O4 S8 -","4","1","CV5050","Cheng, Hua","Bis(2-iodothiophen-3-yl)methanone","Acta Crystallographica Section E","2011","67","3","o691","","10.1107/S1600536811005472","","","0.71073","MoKα","","0.0531","0.0434","","","0.0978","0.1031","","","","","","1.111","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229351","13.142","0.003","21.563","0.004","10.097","0.002","90","","99.22","0.03","90","","2824.3","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Benzoyl-1-phenylethyl)-4-[(2-hydroxy-1-naphthyl)methylideneamino]- 3-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C34 H26 N4 O2 S -","- C34 H26 N4 O2 S -","- C136 H104 N16 O8 S4 -","4","1","CV5051","Wang, Wei; Yao, Hong-guo; Gao, Yan; Zhang, Jing-jing; Jia, Xiao-yu","1-(2-Benzoyl-1-phenylethyl)-4-[(2-hydroxy-1-naphthyl)methylideneamino]-3-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","3","o675","","10.1107/S1600536811005721","","","0.71073","MoKα","","0.0599","0.0446","","","0.1144","0.1423","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229352","12.142","0.002","8.894","0.0018","15.324","0.003","90","","96.78","0.03","90","","1643.3","0.5","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(4-<i>tert</i>-Butylphenyl)sulfonyl]-1<i>H</i>-benzimidazole","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C68 H72 N8 O8 S4 -","4","1","CV5052","Abdireymov, K. B.; Mukhamedov, N. S.; Okmanov, R. Ya.; Ayimbetov, M. J.; Shakhidoyatov, Kh. M.","1-[(4-<i>tert</i>-Butylphenyl)sulfonyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2011","67","3","o709","","10.1107/S1600536811005551","","","1.54184","CuKα","","0.0844","0.0583","","","0.1292","0.1496","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229353","5.7976","0.0007","13.4393","0.0014","12.9784","0.0012","90","","99.12","0.007","90","","998.44","0.19","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]butane","","- C20 H18 N4 S4 -","- C20 H18 N4 S4 -","- C40 H36 N8 S8 -","2","0.5","CV5053","Li, Shao-feng; Zhang, Jing-jing; Jia, Xiao-yu; Gao, Yan; Wang, Wei","1,4-Bis[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]butane","Acta Crystallographica Section E","2011","67","3","o681","","10.1107/S1600536811006064","","","0.71073","MoKα","","0.0388","0.0312","","","0.0856","0.0879","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229354","11.951","0.002","19.549","0.004","13.726","0.003","90","","90","","90","","3206.8","1.1","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(<i>E</i>)-1-Methyl-5-(3-methyl-4-chlorophenoxy)-3-trifluoromethyl- 1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-acetyloxime","","- C15 H13 Cl F3 N3 O3 -","- C15 H13 Cl F3 N3 O3 -","- C120 H104 Cl8 F24 N24 O24 -","8","1","CV5055","Dai, Hong; Shen, Yan-Fei; Chen, Jiao; Chen, Hong-Lian; Shen, Yong-Jun","(<i>E</i>)-1-Methyl-5-(3-methyl-4-chlorophenoxy)-3-trifluoromethyl-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-acetyloxime","Acta Crystallographica Section E","2011","67","3","o726","","10.1107/S1600536811006696","","","0.71073","MoKα","","0.056","0.0461","","","0.1098","0.1153","","","","","","1.104","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229355","9.875","0.001","10.207","0.001","13.345","0.002","91.6","0.01","110.59","0.01","92.84","0.01","1256.1","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","<i>cis</i>-Diaquabis[dimethyl (phenylsulfonylimino)phosphonato]cobalt(II)","","- C16 H26 Co N2 O12 P2 S2 -","- C16 H26 Co N2 O12 P2 S2 -","- C32 H52 Co2 N4 O24 P4 S4 -","2","1","DN2630","Trush, Elizaveta A.; Trush, Victor A.; Sliva, Tetyana Yu.; Konovalova, Irina S.; Amirkhanov, Volodymyr M.","<i>cis</i>-Diaquabis[dimethyl (phenylsulfonylimino)phosphonato]cobalt(II)","Acta Crystallographica Section E","2011","67","3","m369","m370","10.1107/S1600536811006027","","","0.71073","MoKα","","0.048","0.0288","","","0.0627","0.0661","","","","","","0.898","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229356","8.1993","0.0007","9.6735","0.0009","9.8331","0.0009","99.784","0.002","105.999","0.002","110.77","0.002","669.18","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>-(2-Chloro-2,2-difluoroacetyl)-<i>N</i>',<i>N</i>''- diisopropylphosphoric triamide","","- C8 H17 Cl F2 N3 O2 P -","- C8 H17 Cl F2 N3 O2 P -","- C16 H34 Cl2 F4 N6 O4 P2 -","2","1","DN2655","Pourayoubi, Mehrdad; Saneei, Anahid","<i>N</i>-(2-Chloro-2,2-difluoroacetyl)-<i>N</i>',<i>N</i>''-diisopropylphosphoric triamide","Acta Crystallographica Section E","2011","67","3","o665","","10.1107/S1600536811005435","","","0.71073","MoKα","","0.051","0.0362","","","0.0882","0.0945","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229357","7.7214","0.0004","20.7043","0.0014","10.6398","0.0007","90","","109.299","0.002","90","","1605.36","0.17","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bis (2-Amino-3-carboxypyrazin-1-ium) sulfate dihydrate.","Bis(2-amino-3-carboxypyrazin-1-ium) sulfate dihydrate","","- C10 H16 N6 O10 S -","- C10 H16 N6 O10 S -","- C40 H64 N24 O40 S4 -","4","1","DN2656","Berrah, Fadila; Ouakkaf, Amira; Bouacida, Sofiane; Roisnel, Thierry","Bis(2-amino-3-carboxypyrazin-1-ium) sulfate dihydrate","Acta Crystallographica Section E","2011","67","3","o677","o678","10.1107/S1600536811005824","","","0.71073","MoKα","","0.0423","0.0353","","","0.092","0.0963","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229358","15.33","0.006","10.809","0.004","7.676","0.003","90","","93.72","0.03","90","","1269.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone","","- C13 H8 Cl F3 O S -","- C13 H8 Cl F3 O S -","- C52 H32 Cl4 F12 O4 S4 -","4","1","DS2088","Lytvyn, Roman; Horak, Yuri; Matiychuk, Vasyl; Obushak, Mykola; Kinzhybalo, Vasyl","1-{5-[2-Chloro-5-(trifluoromethyl)phenyl]thiophen-2-yl}ethanone","Acta Crystallographica Section E","2011","67","3","o585","","10.1107/S1600536811003965","","","0.71073","MoKα","","0.0623","0.0385","","","0.0909","0.0966","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229359","7.4439","0.0008","7.5195","0.0008","10.519","0.001","93.64","0.01","109.72","0.01","102.52","0.01","535.07","0.11","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-<i>N</i>-[(2-methylphenyl)sulfonyl]acetamide","","- C9 H10 Cl N O3 S -","- C9 H10 Cl N O3 S -","- C18 H20 Cl2 N2 O6 S2 -","2","1","DS2090","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","2-Chloro-<i>N</i>-[(2-methylphenyl)sulfonyl]acetamide","Acta Crystallographica Section E","2011","67","3","o549","","10.1107/S1600536811003655","","","1.5418","CuKα","","0.0553","0.0501","","","0.1351","0.1374","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229360","8.365","0.001","8.719","0.001","9.143","0.001","92.74","0.01","104.22","0.01","108.75","0.01","606.24","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2-Chlorophenylsulfonyl)-2-methylpropanamide","","- C10 H12 Cl N O3 S -","- C10 H12 Cl N O3 S -","- C20 H24 Cl2 N2 O6 S2 -","2","1","DS2091","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorophenylsulfonyl)-2-methylpropanamide","Acta Crystallographica Section E","2011","67","3","o595","","10.1107/S1600536811004284","","","0.71073","MoKα","","0.0401","0.0356","","","0.0987","0.1023","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229361","11.586","0.002","7.955","0.001","8.803","0.001","90","","101.97","0.02","90","","793.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(2-methylphenyl)succinamide","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","DS2092","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(2-methylphenyl)succinamide","Acta Crystallographica Section E","2011","67","3","o607","","10.1107/S1600536811004442","","","0.71073","MoKα","","0.1202","0.0656","","","0.1345","0.1626","","","","","","0.97","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229362","8.114","0.003","11.452","0.004","12.494","0.004","102.7","0.006","107.885","0.006","93.634","0.007","1067.1","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4- carbaldehyde <i>O</i>-[(2-chloro-1,3-thiazol-5-yl)methyl]oxime","","- C22 H19 Cl N4 O2 S -","- C22 H19 Cl N4 O2 S -","- C44 H38 Cl2 N8 O4 S2 -","2","1","DS2094","Dai, Hong; Zhang, Yu-Ting; Shi, Yu-Jun; Zhang, Wen-Wen; Shen, Yong-Jun","(<i>E</i>)-3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-[(2-chloro-1,3-thiazol-5-yl)methyl]oxime","Acta Crystallographica Section E","2011","67","3","o727","","10.1107/S1600536811006702","","","0.71073","MoKα","","0.1135","0.049","","","0.099","0.124","","","","","","0.996","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229363","8.9168","0.0005","10.7106","0.0006","13.5147","0.0008","73.489","0.004","71.309","0.004","83.486","0.004","1171.87","0.12","296","","296","","","","","","","","","5","P -1","-P 1","2","","2-{2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholin-4-yl)- 4-phenylpyridazin-3(2<i>H</i>)-one","","- C26 H28 F N5 O3 -","- C26 H28 F N5 O3 -","- C52 H56 F2 N10 O6 -","2","1","EZ2227","Aydın, Abdullah; Şüküroğlu, Murat; Akkurt, Mehmet; Büyükgüngör, Orhan","2-{2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(morpholin-4-yl)-4-phenylpyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o666","o667","10.1107/S1600536811005071","","","0.71073","MoKα","","0.0575","0.0358","","","0.0852","0.0912","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229364","4.9461","0.0004","6.0134","0.0004","6.6853","0.0005","101.833","0.004","93.533","0.003","92.112","0.004","194","0.03","110","2","110","2","","","","","","","","5","P 1","P 1","1","L-Alanine methyl ester hydrochloride monohydrate","(2R)-1-methoxy-1-oxopropan-2-aminium chloride monohydrate","","- C4 H12 Cl N O3 -","- C4 H12 Cl N O3 -","- C4 H12 Cl N O3 -","1","1","EZ2229","Lutz, Martin; Schouten, Arie","<small>L</small>-Alanine methyl ester hydrochloride monohydrate","Acta Crystallographica Section E","2011","67","3","o586","","10.1107/S160053681100420X","","","0.71073","MoKα","","0.0156","0.0153","","","0.0423","0.0425","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229365","8.9331","0.001","10.1023","0.0009","11.0725","0.0012","105.776","0.009","112.734","0.01","100.782","0.009","837.47","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-Benzoyl-3,3-bis(2-methylpropyl)thiourea","","- C16 H24 N2 O S -","- C16 H24 N2 O S -","- C32 H48 N4 O2 S2 -","2","1","EZ2230","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Benzoyl-3,3-bis(2-methylpropyl)thiourea","Acta Crystallographica Section E","2011","67","3","o602","","10.1107/S1600536811004557","","","0.71073","MoKα","","0.122","0.074","","","0.176","0.219","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229366","6.5376","0.0002","10.0345","0.0004","15.6545","0.0006","90.845","0.003","95.521","0.003","107.035","0.003","976.35","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Chlorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one","","- C25 H18 Cl N O -","- C25 H18 Cl N O -","- C50 H36 Cl2 N2 O2 -","2","1","EZ2231","Prasath, R.; Bhavana, P.; Butcher, Ray J.; Jasinski, Jerry P.","3-(4-Chlorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","3","o621","","10.1107/S1600536811004661","","","1.54184","CuKα","","0.0552","0.049","","","0.1524","0.1601","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229367","9.152","0.001","11.971","0.001","13.91","0.001","107.268","0.007","101.789","0.007","96.319","0.008","1400.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-[(1,3-Dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)methyl]- <i>N</i>'-[(<i>E</i>)-4-nitrobenzylidene]benzenesulfonohydrazide dimethyl sulfoxide monosolvate","","- C28 H24 N4 O7 S2 -","- C28 H24 N4 O7 S2 -","- C56 H48 N8 O14 S4 -","2","1","FF2001","Bortoluzzi, Adailton J.; Policarpi, Everton B.; Mora, Cristiano; Oliveira, Kely N.; Nunes, Ricardo J.","4-[(1,3-Dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)methyl]-<i>N</i>'-[(<i>E</i>)-4-nitrobenzylidene]benzenesulfonohydrazide dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2011","67","3","o627","o628","10.1107/S1600536811004697","","","0.71073","MoKα","","0.1046","0.0524","","","0.138","0.1626","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229368","8.5502","0.0006","11.2156","0.0008","13.4634","0.0009","90","","91.343","0.001","90","","1290.73","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~2~-2<i>H</i>,5<i>H</i>-1,3-dithiolo[4,5-<i>d</i>][1,3]dithiole- 2,5-dithione)hexa-μ~2~-iodido-diiodidotetramercury(II)]","","- C2 Hg2 I4 S3 -","- C2 Hg2 I4 S3 -","- C8 Hg8 I16 S12 -","4","1","FI2103","Hameau, Aurélien; Guyon, Fabrice; Knorr, Michael; Colquhoun, Victoria P.; Strohmann, Carsten","Two-dimensional polymeric [Hg~4~(μ~2~-I)~6~I~2~(μ~2~-C~4~S~6~)]~<i>n~</i>","Acta Crystallographica Section E","2011","67","3","m389","","10.1107/S1600536811006556","","","0.71073","MoKα","","0.0413","0.0386","","","0.1113","0.1136","","","","","","1.025","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229369","5.8382","0.0001","10.7005","0.0002","30.9451","0.0006","90","","90","","90","","1933.19","0.06","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>Z</i>,3<i>E</i>)-2-{[1-(4-Chlorobenzyl)-1<i>H</i>-indol-3- yl]methylidene}quinuclidin-3-one oxime","","- C23 H22 Cl N3 O -","- C23 H22 Cl N3 O -","- C92 H88 Cl4 N12 O4 -","4","1","FJ2375","Penthala, Narsimha Reddy; Reddy, Thirupathi Reddy Yerram; Parkin, Sean; Crooks, Peter A.","(2<i>Z</i>,3<i>E</i>)-2-{[1-(4-Chlorobenzyl)-1<i>H</i>-indol-3-yl]methylidene}quinuclidin-3-one oxime","Acta Crystallographica Section E","2011","67","3","o735","","10.1107/S160053681100612X","","","0.71073","MoKα","","0.0864","0.0486","","","0.115","0.1373","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229370","8.5679","0.0006","8.5679","0.0006","21.898","0.002","90","","90","","120","","1392.14","0.19","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","aluminium(III) triniobium(V) phosphate(V)","","- Al0.5 Nb1.5 O12 P3 -","- Al0.5 Nb1.5 O12 P3 -","- Al3 Nb9 O72 P18 -","6","0.166667","FJ2384","Zhao, Dan; Liang, Peng; Su, Ling; Chang, Huan; Yan, Shi","Al~0.5~Nb~1.5~(PO~4~)~3~","Acta Crystallographica Section E","2011","67","3","i23","","10.1107/S1600536811003886","","","0.71073","MoKα","","0.0275","0.0269","","","0.0637","0.0638","","","","","","1.393","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229371","8.5475","0.0002","9.3475","0.0003","9.3512","0.0003","66.379","0.002","62.876","0.001","78.065","0.002","608.99","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido(3,5,5'-trimethyl-1,3'-bi-1<i>H</i>-pyrazole- κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)","","- C9 H12 Cl2 Cu N4 -","- C9 H12 Cl2 Cu N4 -","- C18 H24 Cl4 Cu2 N8 -","2","1","FJ2386","El Ghayati, Lhoussaine; El Ammari, Lahcen; Labd Taha, Mohamed; Tjiou, El Mostafa","Dichlorido(3,5,5'-trimethyl-1,3'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)","Acta Crystallographica Section E","2011","67","3","m323","m324","10.1107/S1600536811004375","","","0.71073","MoKα","","0.0411","0.0303","","","0.0895","0.096","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229372","8.3255","0.0003","7.6967","0.0003","13.8083","0.0005","90","","90.686","0.004","90","","884.76","0.06","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Iodo-2-methyl-1,3-benzothiazole","","- C8 H6 I N S -","- C8 H6 I N S -","- C32 H24 I4 N4 S4 -","4","1","FJ2389","Daković, Marijana; Čičak, Helena","6-Iodo-2-methyl-1,3-benzothiazole","Acta Crystallographica Section E","2011","67","3","o620","","10.1107/S1600536811004570","","","0.71073","MoKα","","0.0273","0.0235","","","0.0623","0.064","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229373","29.4936","0.0013","7.8546","0.0002","16.7146","0.0007","90","","115.093","0.003","90","","3506.7","0.2","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Diethylamino-2-[(<i>E</i>)-(4-ethoxyphenyl)iminomethyl]phenol","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C152 H192 N16 O16 -","8","1","FJ2390","Soydemir, Erkan; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","5-Diethylamino-2-[(<i>E</i>)-(4-ethoxyphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","3","o599","o600","10.1107/S1600536811004533","","","0.71073","MoKα","","0.111","0.0804","","","0.2358","0.26","","","","","","1.101","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229374","12.9696","0.0003","7.5229","0.0002","13.3248","0.0004","90","","90","","90","","1300.09","0.06","290","1","290","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","potassium diniobium vanadium phosphorus decasulfide","","- K4 Nb7 P4 S40 V -","- K4 Nb7 P4 S40 V -","- K4 Nb7 P4 S40 V -","1","0.25","FJ2392","Yu, Jaemin; Yun, Hoseop","KNb~1.75~V~0.25~PS~10~","Acta Crystallographica Section E","2011","67","3","i24","","10.1107/S1600536811004430","","","0.71073","MoKα","","","0.019","","","","0.0424","","","","","","1.069","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229375","6.4919","0.0007","9.4057","0.0009","10.3638","0.0011","90","","97.286","0.01","90","","627.71","0.11","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-[(2<i>R</i>,4a<i>R</i>,8<i>R</i>,8a<i>R</i>)-8-Hydroxy-4a,8- dimethylperhydronaphthalen-2-yl]ethan-1-one","","- C14 H24 O2 -","- C14 H24 O2 -","- C28 H48 O4 -","2","1","FJ2393","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean-Claude; Akssira, Mohamed; Elhakmaoui, Ahmed","1-[(2<i>R</i>,4a<i>R</i>,8<i>R</i>,8a<i>R</i>)-8-Hydroxy-4a,8-dimethylperhydronaphthalen-2-yl]ethan-1-one","Acta Crystallographica Section E","2011","67","3","o601","","10.1107/S1600536811004454","","","0.71073","MoKα","","0.0474","0.043","","","0.1162","0.1188","","","","","","1.092","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229376","7.757","0.0007","9.7041","0.0009","10.6901","0.001","90","","93.432","0.003","90","","803.25","0.13","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-9-(1-Aminoethylidene)-2,2-dichloro-3,7,7- trimethyltricyclo[6.4.0.0^1,3^]undecan-10-one","","- C16 H23 Cl2 N O -","- C16 H23 Cl2 N O -","- C32 H46 Cl4 N2 O2 -","2","1","FJ2396","Benharref, Ahmed; Lassaba, Essêdiya; Avignant, Daniel; Oudahmane, Abdelghani; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-9-(1-Aminoethylidene)-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]undecan-10-one","Acta Crystallographica Section E","2011","67","3","o645","o646","10.1107/S1600536811005307","","","0.71073","MoKα","","0.0294","0.0284","","","0.0783","0.0798","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229377","10.24","0.002","19.409","0.004","21.04","0.004","114.508","0.005","93.158","0.006","94.732","0.006","3773.5","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dinitrosylbis[tris(4-methylphenyl)phosphane]iron","","- C42 H42 Fe N2 O2 P2 -","- C42 H42 Fe N2 O2 P2 -","- C168 H168 Fe4 N8 O8 P8 -","4","2","FK2034","Jones, Myron W.; Powell, Douglas R.; Richter-Addo, George B.","Dinitrosylbis[tris(4-methylphenyl)phosphane]iron","Acta Crystallographica Section E","2011","67","3","m331","","10.1107/S160053681100465X","","","0.71073","MoKα","","0.0412","0.0347","","","0.0906","0.095","","","","","","1.012","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2229378","13.994","0.005","15.746","0.006","16.716","0.006","90","","97.651","0.008","90","","3651","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Dinitrosylbis[tris(4-fluorophenyl)phosphane]iron chloroform monosolvate","","- C37 H25 Cl3 F6 Fe N2 O2 P2 -","- C37 H25 Cl3 F6 Fe N2 O2 P2 -","- C148 H100 Cl12 F24 Fe4 N8 O8 P8 -","4","1","FK2035","Jones, Myron W.; Powell, Douglas R.; Richter-Addo, George B.","Dinitrosylbis[tris(4-fluorophenyl)phosphane]iron chloroform monosolvate","Acta Crystallographica Section E","2011","67","3","m332","","10.1107/S1600536811004673","","","0.71073","MoKα","","0.0548","0.0419","","","0.1079","0.1148","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229379","8.7186","0.0002","20.465","0.0004","8.5675","0.0002","90","","102.475","0.001","90","","1492.57","0.06","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3,6-Dimethoxynaphthalen-2-yl)(phenyl)methanone","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","FK2037","Kato, Yuichi; Takeuchi, Ryo; Muto, Toyokazu; Okamoto, Akiko; Yonezawa, Noriyuki","(3,6-Dimethoxynaphthalen-2-yl)(phenyl)methanone","Acta Crystallographica Section E","2011","67","3","o668","","10.1107/S1600536811005630","","","1.54187","CuKα","","0.0362","0.0338","","","0.096","0.098","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229380","5.6871","0.0003","8.5437","0.0005","20.5403","0.0013","90","","96.653","0.004","90","","991.31","0.1","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-6-(trifluoromethyl)imidazo[1,2-<i>a</i>]pyridine-3-carbonitrile","","- C10 H6 F3 N3 -","- C10 H6 F3 N3 -","- C40 H24 F12 N12 -","4","1","FL2329","Fun, Hoong-Kun; Rosli, Mohd Mustaqim; Kumar, D. J. Madhu; Prasad, D. Jagadeesh; Nagaraja, G. K.","2-Methyl-6-(trifluoromethyl)imidazo[1,2-<i>a</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2011","67","3","o573","","10.1107/S1600536811003928","","","0.71073","MoKα","","0.0857","0.0494","","","0.1119","0.1299","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229381","7.4246","0.0003","20.3368","0.0007","9.8954","0.0004","90","","95.554","0.003","90","","1487.12","0.1","294","2","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(4-Carbamoylphenyl)carbamothioyl]-2,3,4,5-tetrafluorobenzamide","","- C15 H9 F4 N3 O2 S -","- C15 H9 F4 N3 O2 S -","- C60 H36 F16 N12 O8 S4 -","4","1","GK2335","Zhang, Li-Dan; Gao, Chao; Song, Xue-Jiao; Yu, Luo-Ting","<i>N</i>-[(4-Carbamoylphenyl)carbamothioyl]-2,3,4,5-tetrafluorobenzamide","Acta Crystallographica Section E","2011","67","3","o688","","10.1107/S1600536811005915","","","0.7107","MoKα","","0.0511","0.0358","","","0.0989","0.1028","","","","","","1.127","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229382","10.8602","0.0009","5.559","0.0006","18.6864","0.001","90","","102.768","0.005","90","","1100.24","0.16","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-dimethylthiourea","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","GK2336","Pérez, Hiram; Corrêa, Rodrigo S.; Plutín, Ana María; Álvarez, Anislay; Mascarenhas, Yvonne","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-dimethylthiourea","Acta Crystallographica Section E","2011","67","3","o647","","10.1107/S1600536811005137","","","0.71073","MoKα","","","0.0432","","","","0.1202","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229383","8.66","0.01","11.3","0.01","14.55","0.01","85.74","0.05","89.13","0.05","88.16","0.05","1419","2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","2,2,5,7,8-Pentamethylchroman-6-yl 2,3,4,6-tetra-<i>O</i>-acetyl-α-D-glucopyranoside","","- C28 H38 O11 -","- C28 H38 O11 -","- C56 H76 O22 -","2","2","GK2341","Brzezinski, Krzysztof; Wałejko, Piotr; Baj, Aneta; Witkowski, Stanisław; Dauter, Zbigniew","2,2,5,7,8-Pentamethylchroman-6-yl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranoside from synchrotron data","Acta Crystallographica Section E","2011","67","3","o718","","10.1107/S160053681100626X","","","0.5904","synchrotron","","0.0505","0.0448","","","0.1135","0.1184","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229384","5.483","0.001","10.2092","0.0015","14.746","0.003","74.275","0.009","79.727","0.006","83.41","0.008","779.9","0.2","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","5-Nitro-1-nonyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C16 H23 N3 O3 -","- C16 H23 N3 O3 -","- C32 H46 N6 O6 -","2","1","GK2342","Ouzidan, Younes; Kandri Rodi, Youssef; Essassi, El Mokhtar; El Ammari, Lahcen; Fronczek, Frank R.; Venkatraman, Ramaiyer","5-Nitro-1-nonyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o669","","10.1107/S1600536811005654","","","0.71073","MoKα","","0.0529","0.0404","","","0.1058","0.1129","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229385","5.5031","0.0002","20.549","0.0008","14.0342","0.0006","90","","98.4543","0.0014","90","","1569.79","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid","","- C5 H4 F6 O3 -","- C5 H4 F6 O3 -","- C40 H32 F48 O24 -","8","2","GK2344","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid","Acta Crystallographica Section E","2011","67","3","o616","","10.1107/S1600536811004764","","","0.71073","MoKα","","0.0424","0.0378","","","0.0961","0.1003","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229386","7.735","0.002","8.013","0.002","12.54","0.003","101.837","0.005","96.908","0.005","94.205","0.006","751.3","0.3","298","2","298","2","101.3","","","","","","","5","P -1","-P 1","2","","1-Benzoyl-3-ethyl-3-phenylthiourea","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C32 H32 N4 O2 S2 -","2","1","GK2345","Al-abbasi, Aisha A.; Kassim, Mohammad B.","1-Benzoyl-3-ethyl-3-phenylthiourea","Acta Crystallographica Section E","2011","67","3","o611","","10.1107/S1600536811004326","","","0.71073","MoKα","","0.0605","0.0542","","","0.1378","0.1437","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229387","10.7068","0.0003","16.267","0.0004","8.5147","0.0002","90","","104.54","0.001","90","","1435.49","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Iodo-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","","- C15 H12 I N O2 S -","- C15 H12 I N O2 S -","- C60 H48 I4 N4 O8 S4 -","4","1","GK2346","Ramathilagam, C.; Saravanan, Velu; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Umarani, P. R.; Manivannan, V.","3-Iodo-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","3","o632","","10.1107/S1600536811004685","","","0.71073","MoKα","","0.0645","0.043","","","0.1286","0.1437","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229388","8.9731","0.0002","7.8439","0.0003","20.1403","0.0007","90","","98.155","0.002","90","","1403.22","0.08","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis{chlorido[4-nitro-<i>N</i>-(pyridin-2-ylmethylidene- κ<i>N</i>)aniline-κ<i>N</i>]mercury(II)}","","- C24 H18 Cl4 Hg2 N6 O4 -","- C24 H18 Cl4 Hg2 N6 O4 -","- C48 H36 Cl8 Hg4 N12 O8 -","2","0.5","GK2347","Salehzadeh, Sadegh; Dehghanpour, Saeed; Khalaj, Mehdi; Rahimishakiba, Mohammad","Di-μ-chlorido-bis{chlorido[4-nitro-<i>N</i>-(pyridin-2-ylmethylidene-κ<i>N</i>)aniline-κ<i>N</i>]mercury(II)}","Acta Crystallographica Section E","2011","67","3","m327","","10.1107/S1600536811004703","","","0.71073","MoKα","","0.0399","0.0283","","","0.0591","0.0637","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229389","3.7736","0.0008","16.292","0.004","6.2753","0.0014","90","","91.871","0.005","90","","385.6","0.15","297","2","297","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","5-Fluoroisophthalic acid","5-fluorobenzene-1,3-dicarboxylic acid","","- C8 H5 F O4 -","- C8 H5 F O4 -","- C16 H10 F2 O8 -","2","0.5","GO2002","Mi, Jin-Ling; Chen, Le; He, Ming-Yang","5-Fluoroisophthalic acid","Acta Crystallographica Section E","2011","67","3","o590","","10.1107/S1600536811004004","","","0.71073","MoKα","","0.0482","0.0413","","","0.1477","0.1608","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229390","9.187","0.005","9.248","0.005","24.987","0.012","90","","90","","90","","2122.9","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>)-3-Chloro-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5- methylcyclohexyloxy]-4-(4-methylpiperidin-1-yl)furan-2(5<i>H</i>)-one","","- C20 H32 Cl N O3 -","- C20 H32 Cl N O3 -","- C80 H128 Cl4 N4 O12 -","4","1","GO2003","Wang, Xiao-Mei; Fu, Jian-Hua; Cai, Song-Liang; Wang, Zhao-Yang","(5<i>S</i>)-3-Chloro-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-4-(4-methylpiperidin-1-yl)furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o656","","10.1107/S1600536811005216","","","0.71073","MoKα","","0.0891","0.0426","","","0.0949","0.112","","","","","","1.014","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229391","11.489","0.002","9.5903","0.0017","12.498","0.002","90","","103.649","0.003","90","","1338.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one monohydrate","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","GO2004","Wang, Jian-Guo; Wu, Lin; Zhong, Chan-Juan; Ouyang, Zhao-Hui; Yi, De-Lian","(<i>E</i>)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one monohydrate","Acta Crystallographica Section E","2011","67","3","o732","","10.1107/S1600536811006271","","","0.71073","MoKα","","0.0715","0.0571","","","0.1362","0.1436","","","","","","1.094","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229392","5.777","0.002","7.171","0.003","23.045","0.008","90","","92.839","0.004","90","","953.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaqua(2-hydroxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)magnesium nitrate","","- C2 H11 Mg N O10 -","- C2 H11 Mg N O10 -","- C8 H44 Mg4 N4 O40 -","4","1","GO2005","Liu, Wen-Jing; Wei, Zhi-Qiang; Yue, Shan-Tang","Tetraaqua(2-hydroxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)magnesium nitrate","Acta Crystallographica Section E","2011","67","3","m374","","10.1107/S1600536811006611","","","0.71073","MoKα","","0.0528","0.0437","","","0.1105","0.1152","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229393","38.419","0.007","5.7761","0.001","14.772","0.003","90","","108.004","0.005","90","","3117.6","1","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-{[6-(4-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazol-2-yl]methyl}- 1,2-benzoxazole","","- C18 H11 Cl N4 O S -","- C18 H11 Cl N4 O S -","- C144 H88 Cl8 N32 O8 S8 -","8","1","GW2098","Banu, Afshan; Ziaulla, Mohamed; Begum, Noor Shahina; Lamani, Ravi S.; Khazi, I. M.","3-{[6-(4-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazol-2-yl]methyl}-1,2-benzoxazole","Acta Crystallographica Section E","2011","67","3","o617","o618","10.1107/S1600536811004582","","","0.71073","MoKα","","0.0778","0.0534","","","0.1355","0.1853","","","","","","1.312","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2229394","17.4054","0.0004","8.7266","0.0002","15.0105","0.0004","90","","122.219","0.002","90","","1928.87","0.09","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>tert</i>-Butyl <i>N</i>-{(1<i>S</i>)-1-[(2,4-dihydroxybenzylidene)hydrazinecarbonyl]- 2-hydroxyethyl}carbamate ethanol monosolvate","","- C17 H27 N3 O7 -","- C17 H27 N3 O7 -","- C68 H108 N12 O28 -","4","1","HB5793","Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","<i>tert</i>-Butyl <i>N</i>-{(1<i>S</i>)-1-[(2,4-dihydroxybenzylidene)hydrazinecarbonyl]-2-hydroxyethyl}carbamate ethanol monosolvate","Acta Crystallographica Section E","2011","67","3","o581","o582","10.1107/S1600536811003795","","","0.71073","MoKα","","0.038","0.036","","","0.098","0.099","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229395","12.3288","0.0007","17.7043","0.0009","17.3932","0.0009","90","","92.4391","0.0008","90","","3793","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Dimethyl sulfoxide-κ<i>O</i>){4,4',6,6'-tetra-<i>tert</i>-butyl-2,2'-[1,2- dicyanoethene-1,2-diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II) acetonitrile monosolvate","","- C38 H51 N5 O3 S Zn -","- C38 H51 N5 O3 S Zn -","- C152 H204 N20 O12 S4 Zn4 -","4","1","HB5794","Aazam, E. S.; Ng, Seik Weng; Tiekink, Edward R. T.","(Dimethyl sulfoxide-κ<i>O</i>){4,4',6,6'-tetra-<i>tert</i>-butyl-2,2'-[1,2-dicyanoethene-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II) acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","3","m314","m315","10.1107/S160053681100359X","","","0.71073","MoKα","","0.043","0.032","","","0.075","0.08","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229396","8.532","0.003","10.951","0.004","11.184","0.005","79.59","0.03","88.06","0.03","78.23","0.02","1006.2","0.7","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-propyldithiocarbamato- κ^2^<i>S</i>,<i>S</i>']bis(4-{[(pyridin-4- ylmethylidene)hydrazinylidene]methyl}pyridine-κ<i>N</i>^1^)cadmium","","- C36 H44 Cd N10 O2 S4 -","- C36 H44 Cd N10 O2 S4 -","- C36 H44 Cd N10 O2 S4 -","1","0.5","HB5795","Broker, Grant A.; Tiekink, Edward R. T.","Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-propyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']bis(4-{[(pyridin-4-ylmethylidene)hydrazinylidene]methyl}pyridine-κ<i>N</i>^1^)cadmium","Acta Crystallographica Section E","2011","67","3","m320","m321","10.1107/S1600536811004508","","","0.7107","MoKα","","0.026","0.025","","","0.062","0.062","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229397","10.5613","0.0009","12.1234","0.0005","17.2107","0.0009","86.418","0.003","89.308","0.002","88.084","0.003","2198","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","2-{[2-(bis{2-[({2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl}methylidene)\ amino]ethyl}amino)ethyl]azaniumylidenemethyl}-4-[(4-methoxyphenyl)diazenyl]\ phenolate","","- C48 H48 N10 O6 -","- C48 H48 N10 O6 -","- C96 H96 N20 O12 -","2","1","HB5798","Salehzadeh, Sadegh; Mahdavian, Mahsa; Khalaj, Mehdi","Zwitterionic form of tris({[5-(4-methoxyphenylazo)salicylidene]amino}ethyl)amine","Acta Crystallographica Section E","2011","67","3","o606","","10.1107/S1600536811004405","","","0.71073","MoKα","","0.1862","0.0624","","","0.1316","0.1866","","","","","","0.987","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229398","21.791","0.003","8.2215","0.0012","27.27","0.004","90","","111.767","0.003","90","","4537.2","1.1","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Bis(3-carboxy-5-nitrobenzoato)bis[2-(pyridin-4-yl)-1<i>H</i>-\ imidazo[4,5-<i>f</i>][1,10]phenanthroline]manganese(II)","","- C52 H30 Mn N12 O12 -","- C52 H30 Mn N12 O12 -","- C208 H120 Mn4 N48 O48 -","4","1","HB5800","Xu, Hong-Bin; Ma, Shuai; He, Yu","Bis(3-carboxy-5-nitrobenzoato)bis[2-(pyridin-4-yl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]manganese(II)","Acta Crystallographica Section E","2011","67","3","m326","","10.1107/S1600536811004569","","","0.71073","MoKα","","0.1746","0.0648","","","0.095","0.1258","","","","","","0.95","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229399","7.1411","0.0002","9.9878","0.0004","23.753","0.0011","90","","90","","90","","1694.16","0.11","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-(2-Chlorophenyl)-2-oxocyclohexan-1-aminium D-tartrate","","- C16 H20 Cl N O7 -","- C16 H20 Cl N O7 -","- C64 H80 Cl4 N4 O28 -","4","1","HG2766","Hojahmat, Marhaba; Zheng, Guangrong; Siegler, Max; Parkin, Sean; Biermann, Manfred; Crooks, Peter A.","(<i>S</i>)-1-(2-Chlorophenyl)-2-oxocyclohexan-1-aminium <small>D</small>-tartrate","Acta Crystallographica Section E","2011","67","3","o736","","10.1107/S1600536811006131","","","0.71073","MoKα","","0.1658","0.0596","","","0.1057","0.139","","","","","","0.963","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229400","7.8338","0.0001","27.8759","0.0003","29.3202","0.0003","90","","90","","90","","6402.78","0.13","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>)-2,5-Bis(2-fluoro-5-methoxyphenethyl)pyrrolidinium formate","","- C23 H29 F2 N O4 -","- C23 H29 F2 N O4 -","- C276 H348 F24 N12 O48 -","12","3","HG2767","Ponugoti, Purushothama Rao; Penthala, Narsimha Reddy; Dwoskin, Linda P.; Parkin, Sean; Crooks, Peter A.","<i>cis</i>-2,5-Bis(2-fluoro-5-methoxyphenethyl)pyrrolidinium formate","Acta Crystallographica Section E","2011","67","3","o737","","10.1107/S1600536811006143","","","0.71073","MoKα","","0.1066","0.0556","","","0.1303","0.1547","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229401","9.6038","0.0008","9.9059","0.0008","10.1064","0.0011","119.342","0.002","92.307","0.002","93.422","0.002","833.95","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-Butyl 2-hydroxy-3-(4-methylbenzenesulfonamido)butanoate","","- C15 H23 N O5 S -","- C15 H23 N O5 S -","- C30 H46 N2 O10 S2 -","2","1","HG2795","Fadlalla, Mohamed I.; Friedrich, Holger B.; Maguire, Glenn E. M.; Omondi, Bernard","<i>tert</i>-Butyl 2-hydroxy-3-(4-methylbenzenesulfonamido)butanoate","Acta Crystallographica Section E","2011","67","3","o648","","10.1107/S1600536811004934","","","0.71073","MoKα","","0.035","0.0301","","","0.0788","0.0831","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229402","4.8979","0.0001","15.8136","0.0004","10.8203","0.0003","90","","102.569","0.003","90","","817.98","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Acetylanilinium chloride","","- C8 H10 Cl N O -","- C8 H10 Cl N O -","- C32 H40 Cl4 N4 O4 -","4","1","HG2797","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Acetylanilinium chloride","Acta Crystallographica Section E","2011","67","3","o623","","10.1107/S1600536811004739","","","0.71073","MoKα","","0.035","0.029","","","0.076","0.08","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229403","11.1704","0.0003","12.8497","0.0005","16.0591","0.0006","74.914","0.003","80.603","0.003","70.789","0.003","2094.05","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)- 3-(4-chlorophenyl)prop-2-en-1-one","","- C25 H17 Cl2 N O -","- C25 H17 Cl2 N O -","- C100 H68 Cl8 N4 O4 -","4","2","HG2798","Sarveswari, S.; Vijayakumar, V.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","3","o624","","10.1107/S1600536811004740","","","1.54184","CuKα","","0.058","0.052","","","0.149","0.158","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229404","8.2836","0.0004","9.6135","0.0005","16.5694","0.0008","92.121","0.001","96.1","0.001","112.597","0.001","1206.94","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>-(4,6-Dimethylpyrimidin-2-yl)-1<i>H</i>-benzimidazol-2-amine","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","2","HG5003","Mohamed, Shaaban Kamel; El-Remaily, Mahmoud A. A.; Gurbanov, Atash V.; Khalilov, Ali N.; Ng, Seik Weng","<i>N</i>-(4,6-Dimethylpyrimidin-2-yl)-1<i>H</i>-benzimidazol-2-amine","Acta Crystallographica Section E","2011","67","3","o719","","10.1107/S1600536811006507","","","0.71073","MoKα","","0.061","0.0436","","","0.1215","0.1361","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229405","10.53","0.002","14.028","0.003","14.794","0.003","62.203","0.003","85.669","0.003","72.275","0.003","1835.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Chloridobis[<i>N</i>'-(2-methoxybenzylidene)-4-nitrobenzohydrazidato- κ^2^<i>O</i>,<i>N</i>'](4-methylpyridine-κ<i>N</i>)cobalt(III)","","- C36 H31 Cl Co N7 O8 -","- C36 H31 Cl Co N7 O8 -","- C72 H62 Cl2 Co2 N14 O16 -","2","1","HY2400","Wu, Qiong-Jie; Chen, Xiao-Hua; Jiang, Jiang; Cai, Bi-Qiong; Xie, Yong-Ping","Chloridobis[<i>N</i>'-(2-methoxybenzylidene)-4-nitrobenzohydrazidato-κ^2^<i>O</i>,<i>N</i>'](4-methylpyridine-κ<i>N</i>)cobalt(III)","Acta Crystallographica Section E","2011","67","3","m293","","10.1107/S1600536811003321","","","0.71073","MoKα","","0.145","0.0627","","","0.1259","0.1574","","","","","","0.936","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229406","14.968","0.003","9.186","0.0018","14.334","0.003","90","","117.12","0.03","90","","1754.2","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,4-Diazoniabicyclo[2.2.2]octane hexaaquamagnesium bis(sulfate)","","- C6 H26 Mg N2 O14 S2 -","- C6 H26 Mg N2 O14 S2 -","- C24 H104 Mg4 N8 O56 S8 -","4","0.5","HY2403","Zheng, Wen-Ni","1,4-Diazoniabicyclo[2.2.2]octane hexaaquamagnesium bis(sulfate)","Acta Crystallographica Section E","2011","67","3","m344","","10.1107/S1600536811005368","","","0.71073","MoKα","","0.069","0.0653","","","0.1657","0.1686","","","","","","1.256","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229407","12.0638","0.0007","12.0638","0.0007","17.6907","0.0013","90","","90","","120","","2229.7","0.2","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","Tris(4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')iron(II) tetrabromidoferrate(III) bromide","","- C18 H12 Br5 Fe2 N6 S6 -","- C18 H12 Br5 Fe2 N6 S6 -","- C54 H36 Br15 Fe6 N18 S18 -","3","0.333333","HY2404","Abedi, Anita; Amani, Vahid; Safari, Nasser","Tris(4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')iron(II) tetrabromidoferrate(III) bromide","Acta Crystallographica Section E","2011","67","3","m311","m312","10.1107/S1600536811004181","","","0.71073","MoKα","","0.0373","0.0364","","","0.0846","0.085","","","","","","1.011","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229408","13.01","0.003","13.453","0.003","13.586","0.003","99.95","0.03","99.87","0.03","104.58","0.03","2208.3","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[4,4'-bipyridinium [[tetraaqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^) cerate(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^:<i>O</i>^2'^, <i>N</i>,<i>O</i>^6^-[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>, <i>O</i>^6^)cerate(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^, <i>N</i>,<i>O</i>^6^:<i>O</i>^6'^] pentahydrate]","","- C38 H40 Ce2 N6 O25 -","- C38 H40 Ce2 N6 O25 -","- C76 H80 Ce4 N12 O50 -","2","1","HY2405","Aghabozorg, Hossein; Omidvar, Sara; Mirzaei, Masoud; Notash, Behrouz","<i>catena</i>-Poly[4,4'-bipyridinium [[tetraaqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cerate(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cerate(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^] pentahydrate]","Acta Crystallographica Section E","2011","67","3","m335","m336","10.1107/S1600536811004995","","","0.71073","MoKα","","0.0523","0.0448","","","0.1158","0.1204","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229409","9.3462","0.0019","10.726","0.002","11.098","0.002","95.13","0.03","91.38","0.03","90.47","0.03","1107.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,3-diaminopyridinium) bis(μ-pyridine-2,6-dicarboxylato)- κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^; κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aqua(pyridine-2,6- dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bismuthate(III)] tetrahydrate","","- C38 H40 Bi2 N10 O22 -","- C38 H40 Bi2 N10 O22 -","- C38 H40 Bi2 N10 O22 -","1","0.5","HY2406","Aghabozorg, Hossein; Kazemi, Shokoofeh; Agah, Ali Akbar; Mirzaei, Masoud; Notash, Behrouz","Bis(2,3-diaminopyridinium) bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bismuthate(III)] tetrahydrate","Acta Crystallographica Section E","2011","67","3","m360","m361","10.1107/S1600536811005629","","","0.71073","MoKα","","0.0604","0.0565","","","0.1494","0.1536","","","","","","1.049","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229410","27.0813","0.0015","13.0411","0.0008","4.5998","0.0002","90","","90","","90","","1624.51","0.15","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(2,4-Difluoroanilino)-9-nitrodibenzo[<i>b</i>,<i>e</i>]oxepin- 11(6<i>H</i>)-one","","- C20 H12 F2 N2 O4 -","- C20 H12 F2 N2 O4 -","- C80 H48 F8 N8 O16 -","4","1","IM2261","Baur, Benjamin; Schollmeyer, Dieter; Laufer, Stefan","3-(2,4-Difluoroanilino)-9-nitrodibenzo[<i>b</i>,<i>e</i>]oxepin-11(6<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o555","","10.1107/S1600536811002881","","","1.54178","CuKα","","0.0484","0.0473","","","0.1255","0.1267","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229411","9.0666","0.0004","9.1215","0.0003","12.0696","0.0006","90","","90","","90","","998.17","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[bis(acetonitrile-κ<i>N</i>)di-μ-thiocyanato- κ^2^<i>N</i>,<i>S</i>;κ^2^<i>S</i>,<i>N</i>-nickel(II)]","","- C6 H6 N4 Ni S2 -","- C6 H6 N4 Ni S2 -","- C24 H24 N16 Ni4 S8 -","4","1","IM2264","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Poly[bis(acetonitrile-κ<i>N</i>)di-μ-thiocyanato-κ^2^<i>N</i>,<i>S</i>;κ^2^<i>S</i>,<i>N</i>-nickel(II)]","Acta Crystallographica Section E","2011","67","3","m309","","10.1107/S1600536811004132","","","0.71073","MoKα","","0.0319","0.027","","","0.0497","0.0505","","","","","","1.289","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229412","30.9454","0.0004","10.4512","0.0002","20.5774","0.0004","90","","112.019","0.001","90","","6169.65","0.19","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ~2~-methoxo-bis{[μ-3,10,18,25-tetraazapentacyclo[17.4.4.3.1.1]triconta- 1(31),2,4(9),5,7,10,12,14,16(32),17,19(24),20,22,25,27,29-hexadecaene-31,32- diolato]dizinc(II)} bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C64 H56 Cl2 N10 O16 Zn4 -","- C64 H56 Cl2 N10 O16 Zn4 -","- C256 H224 Cl8 N40 O64 Zn16 -","4","0.5","IM2265","Lim, Zelong; Forsyth, Craig M.; Graham, Bim","Di-μ~2~-methoxo-bis{[μ-3,10,18,25-tetraazapentacyclo[17.4.4.3.1.1]triconta-1(31),2,4(9),5,7,10,12,14,16(32),17,19(24),20,22,25,27,29-hexadecaene-31,32-diolato]dizinc(II)} bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","3","m368","","10.1107/S1600536811005873","","","0.71073","MoKα","","0.0762","0.0448","","","0.1072","0.1228","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229413","5.5028","0.0005","30.832","0.003","7.8355","0.0007","90","","110.016","0.001","90","","1249.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(2,4,6-Trimethylbenzyl)-1,3-thiazol-2-amine","","- C13 H16 N2 S -","- C13 H16 N2 S -","- C52 H64 N8 S4 -","4","1","IM2269","Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Allahverdiyev, Mirze A.; Ng, Seik Weng","4-(2,4,6-Trimethylbenzyl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2011","67","3","o721","","10.1107/S1600536811006386","","","0.71073","MoKα","","0.0495","0.045","","","0.1162","0.1201","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229414","9.7037","0.0002","16.5123","0.0003","13.8847","0.0003","90","","102.132","0.003","90","","2175.06","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-(2-Hydroxyethyl)-9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl- 1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","","- C25 H31 N O4 -","- C25 H31 N O4 -","- C100 H124 N4 O16 -","4","1","IM2270","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Khalilov, Ali N.; Gurbanov, Atash V.; Ng, Seik Weng","10-(2-Hydroxyethyl)-9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2011","67","3","o744","","10.1107/S1600536811006969","","","0.71073","MoKα","","0.0673","0.0476","","","0.1086","0.1234","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229415","9.2141","0.0005","14.8227","0.0009","10.474","0.0007","90","","91.12","0.002","90","","1430.24","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Morpholinium 4-amino-5-methoxy-2-methylbenzensulfonate","","- C12 H20 N2 O5 S -","- C12 H20 N2 O5 S -","- C48 H80 N8 O20 S4 -","4","1","IS2665","Shou, Ling-Gao; Li, Mei-Chao","Morpholinium 4-amino-5-methoxy-2-methylbenzensulfonate","Acta Crystallographica Section E","2011","67","3","o631","","10.1107/S1600536811003722","","","0.71073","MoKα","","0.0452","0.044","","","0.1159","0.1169","","","","","","1.122","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229416","8.2784","0.0007","10.6116","0.0009","12.7572","0.0011","85.681","0.004","89.963","0.004","82.508","0.005","1107.91","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 1-benzoyl-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C54 H50 N2 O8 -","2","1","IS2669","Aridoss, G.; Sundaramoorthy, S.; Velmurugan, D.; Jeong, Y. T.","Ethyl 1-benzoyl-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2011","67","3","o540","","10.1107/S1600536811003266","","","0.71073","MoKα","","0.0592","0.0429","","","0.1082","0.1196","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229417","5.5599","0.0002","8.0942","0.0003","10.9006","0.0004","81.162","0.002","85.347","0.002","74.458","0.002","466.6","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-[4-(Methylsulfonyl)phenyl]acetonitrile","","- C9 H9 N O2 S -","- C9 H9 N O2 S -","- C18 H18 N2 O4 S2 -","2","1","IS2671","Fun, Hoong-Kun; Quah, Ching Kheng; Sumangala, V.; Prasad, D. Jagadeesh; Poojary, Boja","2-[4-(Methylsulfonyl)phenyl]acetonitrile","Acta Crystallographica Section E","2011","67","3","o574","","10.1107/S1600536811003837","","","0.71073","MoKα","","0.0414","0.0384","","","0.1065","0.1095","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229418","7.9194","0.0008","8.5793","0.0008","22.925","0.002","90","","91.981","0.001","90","","1556.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-(morpholin-4-yl)-<i>N</i>-[1-(pyridin-2-yl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) monohydrate","","- C13 H21 Cl2 Cu N3 O2 -","- C13 H21 Cl2 Cu N3 O2 -","- C52 H84 Cl8 Cu4 N12 O8 -","4","1","IS2674","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido{2-(morpholin-4-yl)-<i>N</i>-[1-(pyridin-2-yl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) monohydrate","Acta Crystallographica Section E","2011","67","3","m334","","10.1107/S1600536811004892","","","0.71073","MoKα","","0.0294","0.0247","","","0.0582","0.0599","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229419","10.9479","0.0002","11.347","0.0003","17.7392","0.0004","90","","90","","90","","2203.67","0.09","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","","- C11 H12 N2 O S -","- C11 H12 N2 O S -","- C88 H96 N16 O8 S8 -","8","1","IS2676","Shahani, Tara; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Sarveswari, S.","1,3-Dimethyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section E","2011","67","3","o633","","10.1107/S1600536811004922","","","0.71073","MoKα","","0.0521","0.0386","","","0.0946","0.1038","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229420","8.4073","0.0018","9.0343","0.0019","12.489","0.003","79.371","0.002","83.519","0.003","78.806","0.003","911.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","3,5,3'-Trihydroxy-4'-methoxy-7-(3-methylbut-2-enyloxy)flavone","3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3-methylbut-2-en-1- yl)oxy]chromen-4-one","","- C21 H20 O7 -","- C21 H20 O7 -","- C42 H40 O14 -","2","1","JH2258","Zhu, Sheng-Hua; Liu, Shao-Qian","3,5,3'-Trihydroxy-4'-methoxy-7-(3-methylbut-2-enyloxy)flavone","Acta Crystallographica Section E","2011","67","3","o661","","10.1107/S1600536811005393","","","0.71073","MoKα","","0.0617","0.0456","","","0.1039","0.114","","","","","","0.981","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229421","11.967","0.002","13.446","0.003","15.677","0.003","90","","94.05","0.03","90","","2516.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Bromo-3-methylanilinium perchlorate‒18-crown-6 (1/1)","","- C19 H33 Br Cl N O10 -","- C19 H33 Br Cl N O10 -","- C76 H132 Br4 Cl4 N4 O40 -","4","1","JH2260","Xu, Qian; Zhao, Min Min","4-Bromo-3-methylanilinium perchlorate 18-crown-6 clathrate","Acta Crystallographica Section E","2011","67","3","o579","","10.1107/S1600536811003540","","","0.71073","MoKα","","0.09","0.0604","","","0.1401","0.157","","","","","","1.087","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229422","6.464","0.002","11.589","0.004","22.562","0.008","92.975","0.004","94.034","0.005","96.408","0.005","1672.4","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Adamantan-1-aminium <i>p</i>-toluenesulfonate","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","2","JH2261","Zhang, Yi; Wang, Bo","Adamantan-1-aminium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2011","67","3","o543","","10.1107/S1600536811003436","","","0.71073","MoKα","","0.0846","0.0606","","","0.1353","0.1485","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229423","10.0498","0.0002","11.3501","0.0002","10.4587","0.0002","90","","115.377","0.001","90","","1077.87","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dimethyl (<i>E</i>)-1-methyl-2-(methylcarbamoyl)ethenyl phosphate","(2E)-3-[(dimethoxyphosphoryl)oxy]-N-methylbut-2-enamide","","- C7 H14 N O5 P -","- C7 H14 N O5 P -","- C28 H56 N4 O20 P4 -","4","1","JH2262","Cheon, Sanghun; Kim, Tae Ho; Park, Ki-Min; Kim, Jineun","Monocrotophos: dimethyl (<i>E</i>)-1-methyl-2-(methylcarbamoyl)ethenyl phosphate","Acta Crystallographica Section E","2011","67","3","o584","","10.1107/S1600536811003898","","","0.71073","MoKα","","0.0428","0.0396","","","0.1156","0.1186","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229424","9.8766","0.0007","11.1635","0.0006","12.1531","0.0009","68.687","0.006","69.601","0.007","88.529","0.005","1162.19","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis{4-[bis(prop-2-yn-1-yl)amino]phenoxy}benzene","","- C30 H24 N2 O2 -","- C30 H24 N2 O2 -","- C60 H48 N4 O4 -","2","1","JH2263","Shah, Kiramat; Raza Shah, M.; Ng, Seik Weng","1,4-Bis{4-[bis(prop-2-yn-1-yl)amino]phenoxy}benzene","Acta Crystallographica Section E","2011","67","3","o567","","10.1107/S1600536811003862","","","0.71073","MoKα","","0.1076","0.0632","","","0.1353","0.1717","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229425","10.047","0.0004","10.2267","0.0004","11.3581","0.0004","105.76","0.004","101.433","0.003","108.211","0.004","1014.45","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bis[(<i>E</i>)-(2,3-diiodoprop-2-en-1-yl)oxy]biphenyl","","- C18 H14 I4 O2 -","- C18 H14 I4 O2 -","- C36 H28 I8 O4 -","2","1","JH2264","Shah, Kiramat; Raza Shah, M.; Ng, Seik Weng","4,4'-Bis[(<i>E</i>)-(2,3-diiodoprop-2-en-1-yl)oxy]biphenyl","Acta Crystallographica Section E","2011","67","3","o568","","10.1107/S1600536811003874","","","0.71073","MoKα","","0.0353","0.0303","","","0.0761","0.0788","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229426","27.652","0.011","7.011","0.003","6.219","0.003","90","","96.38","0.02","90","","1198.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2-[(<i>E</i>)-(4-chlorophenyl)iminomethyl]phenol","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C52 H36 Br4 Cl4 N4 O4 -","4","1","JH2265","Ardakani, Amir Adabi; Kia, Reza; Kargar, Hadi; Tahir, Muhammad Nawaz","4-Bromo-2-[(<i>E</i>)-(4-chlorophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","3","o597","","10.1107/S1600536811004417","","","0.71073","MoKα","","0.0454","0.0309","","","0.0723","0.0783","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229427","4.482","0.0002","20.8088","0.0009","12.2189","0.0005","90","","94.57","0.002","90","","1135.97","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-[(<i>E</i>)-(4-fluorophenyl)iminomethyl]phenol","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","JH2266","Ardakani, Amir Adabi; Kia, Reza; Kargar, Hadi; Tahir, Muhammad Nawaz","4-Bromo-2-[(<i>E</i>)-(4-fluorophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","3","o598","","10.1107/S1600536811004429","","","0.71073","MoKα","","0.0592","0.0323","","","0.0753","0.0832","","","","","","1.016","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229428","8.0311","0.0002","12.5836","0.0003","20.6174","0.0005","86.9","0.001","82.549","0.001","81.806","0.001","2043.57","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,3'-Dimethoxy-2,2'-[(4,5-dimethyl-<i>o</i>-phenylene)bis(nitrilomethanylylidene)]diphenol","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","2","JH2267","Sahraei, Atefeh; Kargar, Hadi; Kia, Reza; Khan, Islam Ullah","3,3'-Dimethoxy-2,2'-[(4,5-dimethyl-<i>o</i>-phenylene)bis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2011","67","3","o636","","10.1107/S160053681100506X","","","0.71073","MoKα","","0.1062","0.0529","","","0.1211","0.1491","","","","","","1.009","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229429","12.3944","0.0002","10.8056","0.0001","19.3631","0.0003","90","","102.815","0.001","90","","2528.68","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>S</i>-(5-methoxy-2-oxo-2,3-dihydro-1,3,4-thiadiazol-3-yl)methyl <i>O</i>,<i>O</i>-dimethyl phosphorodithioate","","- C6 H11 N2 O4 P S3 -","- C6 H11 N2 O4 P S3 -","- C48 H88 N16 O32 P8 S24 -","8","2","JH2268","Kim, Hyunjee; Shin, Yong Woon; Park, Ki-Min; Kim, Jineun; Kim, Tae Ho","Methidathion: <i>S</i>-(5-methoxy-2-oxo-2,3-dihydro-1,3,4-thiadiazol-3-yl)methyl <i>O</i>,<i>O</i>-dimethyl phosphorodithioate","Acta Crystallographica Section E","2011","67","3","o653","","10.1107/S1600536811005241","","","0.71073","MoKα","","0.0413","0.0332","","","0.0851","0.0888","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229430","13.9235","0.0009","13.4407","0.0008","16.0019","0.0011","90","","112.724","0.008","90","","2762.2","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ~2~-acetato-diacetato-bis{μ~2~-3,3',5,5'-tetramethoxy-2,2-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}tricobalt(II,III) dichloromethane disolvate","","- C50 H60 Cl4 Co3 N4 O20 -","- C50 H60 Cl4 Co3 N4 O20 -","- C100 H120 Cl8 Co6 N8 O40 -","2","0.5","JJ2072","Assey, Gervas E.; Butcher, Ray J.; Gultneh, Yilma","Di-μ~2~-acetato-diacetato-bis{μ~2~-3,3',5,5'-tetramethoxy-2,2-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}tricobalt(II,III) dichloromethane disolvate","Acta Crystallographica Section E","2011","67","3","m303","m304","10.1107/S1600536811003783","","","1.54178","CuKα","","0.1089","0.0832","","","0.2331","0.251","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229431","6.1809","0.0003","12.7391","0.0009","12.9251","0.0007","112.657","0.006","95.845","0.005","98.512","0.005","914.65","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","piperidin-4-one","1-Benzyl-3,5-bis[(<i>E</i>)-3-thienylmethylidene]piperidin-4-one","","- C22 H19 N O S2 -","- C22 H19 N O S2 -","- C44 H38 N2 O2 S4 -","2","1","JJ2073","Gayathri, P.; Thiruvalluvar, A.; Rajeswari, K.; Pandiarajan, K.; Butcher, R. J.","1-Benzyl-3,5-bis[(<i>E</i>)-3-thienylmethylidene]piperidin-4-one","Acta Crystallographica Section E","2011","67","3","o571","","10.1107/S1600536811003758","","","1.54184","CuKα","","0.047","0.0395","","","0.1048","0.1095","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229432","11.984","0.002","10.346","0.002","12.942","0.003","90","","111.63","0.03","90","","1491.6","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Propane-1,3-diaminium pyridine-2,5-dicarboxylate dimethyl sulfoxide monosolvate","","- C12 H21 N3 O5 S -","- C12 H21 N3 O5 S -","- C48 H84 N12 O20 S4 -","4","1","JJ2074","Aghabozorg, Hossein; Bayan, Minoo; Mirzaei, Masoud; Notash, Behrouz","Propane-1,3-diaminium pyridine-2,5-dicarboxylate dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2011","67","3","o610","","10.1107/S1600536811004545","","","0.71073","MoKα","","0.054","0.0411","","","0.0906","0.0952","","","","","","1.074","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229433","7.3061","0.0005","13.8392","0.0009","14.6799","0.001","90","","90","","90","","1484.29","0.17","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Chloro-2-methyl-3-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C56 H48 Cl8 N8 O16 -","8","1","JJ2075","Pearce, Matthew A.; Tanski, Joseph M.","1-Chloro-2-methyl-3-nitrobenzene","Acta Crystallographica Section E","2011","67","3","o608","","10.1107/S1600536811004466","","","0.71073","MoKα","","0.0374","0.0314","","","0.0855","0.0901","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229434","10.651","0.002","12.601","0.003","8.313","0.0017","90","","108.44","0.03","90","","1058.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-(Benzylcarbamoyl)prop-2-enoic acid","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","KJ2163","Dong, Su-Lan; Cheng, Xiao-Chun","(<i>Z</i>)-3-(Benzylcarbamoyl)prop-2-enoic acid","Acta Crystallographica Section E","2011","67","3","o689","","10.1107/S160053681100609X","","","0.71073","MoKα","","0.1249","0.0574","","","0.1368","0.1746","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229435","8.1184","0.0004","22.9372","0.0013","8.3417","0.0004","90","","116.443","0.003","90","","1390.82","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido(dimethyl sulfoxide-κ<i>S</i>)(η^6^-mesitylene)ruthenium(II)","","- C11 H18 Cl2 O Ru S -","- C11 H18 Cl2 O Ru S -","- C44 H72 Cl8 O4 Ru4 S4 -","4","1","KJ2168","Oelkers, Benjamin; Finger, Lars Hendrik; Sundermeyer, Jörg","Dichlorido(dimethyl sulfoxide-κ<i>S</i>)(η^6^-mesitylene)ruthenium(II)","Acta Crystallographica Section E","2011","67","3","m319","","10.1107/S160053681100314X","","","0.71073","MoKα","","0.0203","0.0174","","","0.043","0.0436","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229436","17.183","0.002","6.5826","0.0009","17.983","0.002","90","","90","","90","","2034","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,2'-[4,10-Bis(carboxymethyl)-4,10-diaza-1,7-diazoniacyclododecane-1,7- diyl]diacetate dihydrate","","- C16 H32 N4 O10 -","- C16 H32 N4 O10 -","- C64 H128 N16 O40 -","4","0.5","KP2290","Szalay, Paul S.; Zeller, Matthias; Hunter, Allen D.","2,2'-[4,10-Bis(carboxymethyl)-4,10-diaza-1,7-diazoniacyclododecane-1,7-diyl]diacetate dihydrate","Acta Crystallographica Section E","2011","67","3","o644","","10.1107/S1600536811004843","","","0.71073","MoKα","","0.0468","0.0416","","","0.108","0.1124","","","","","","1.076","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229437","12.5507","0.0002","5.16441","0.00009","18.9322","0.0003","90","","91.4702","0.0016","90","","1226.72","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Hexyloxybenzamide","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","KP2300","Kwong, Huey Chong; Rahman, Mohamad Zaki Ab.; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik","4-Hexyloxybenzamide","Acta Crystallographica Section E","2011","67","3","o612","","10.1107/S1600536811003096","","","1.54184","CuKα","","0.0394","0.0369","","0.0983","0.096","0.0947","","","","","","1.0093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229438","7.5882","0.0015","10.473","0.002","14.041","0.003","76.15","0.03","81.46","0.04","78.86","0.03","1056.9","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)copper(II) perchlorate","","- C20 H16 Cl Cu N5 O7 -","- C20 H16 Cl Cu N5 O7 -","- C40 H32 Cl2 Cu2 N10 O14 -","2","1","KP2303","Zhu, Yu; Wu, Yun-Long; Huang, Chun-Xia; Xie, Ji-Min","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)copper(II) perchlorate","Acta Crystallographica Section E","2011","67","3","m306","","10.1107/S1600536811002571","","","0.71073","MoKα","","0.0388","0.0338","","","0.0847","0.0876","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229439","7.2571","0.0015","11.688","0.002","10.55","0.002","90","","108.36","0.03","90","","849.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Magnesium pyridazinate hydrate","<i>trans</i>-Tetraaquabis(pyridazine-4-carboxylato-κ<i>O</i>)magnesium(II) dihydrate","","- C10 H18 Mg N4 O10 -","- C10 H18 Mg N4 O10 -","- C20 H36 Mg2 N8 O20 -","2","0.5","KP2307","Starosta, Wojciech; Leciejewicz, Janusz","<i>trans</i>-Tetraaquabis(pyridazine-4-carboxylato-κ<i>O</i>)magnesium(II) dihydrate","Acta Crystallographica Section E","2011","67","3","m316","","10.1107/S1600536811004168","","","0.71073","MoKα","","0.0956","0.0361","","","0.1042","0.1219","","","","","","1.038","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229440","4.978","0.0006","5.7933","0.0007","31.003","0.004","90","","92.588","0.005","90","","893.19","0.19","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-Bis[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-ylsulfanyl]butane","4-{5-[(4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butyl)sulfanyl]- 1,3,4-oxadiazol-2-yl}pyridine","","- C18 H16 N6 O2 S2 -","- C18 H16 N6 O2 S2 -","- C36 H32 N12 O4 S4 -","2","0.5","KP2310","Liu, Qing-lei; Wang, Wei; Gao, Yan; Jia, Xiao-yu; Zhang, Jing-jing","1,4-Bis{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane","Acta Crystallographica Section E","2011","67","3","o740","","10.1107/S1600536811006805","","","0.71073","MoKα","","0.0373","0.0322","","","0.0856","0.0889","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229441","6.3452","0.0001","8.2065","0.0001","14.4866","0.0002","98.842","0.001","97.693","0.001","96.385","0.001","731.951","0.018","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-cyclohexylsulfonyl-2-methyl-1-benzofuran","","- C15 H17 Br O3 S -","- C15 H17 Br O3 S -","- C30 H34 Br2 O6 S2 -","2","1","LD2001","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Bromo-3-cyclohexylsulfonyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","3","o542","","10.1107/S1600536811003515","","","0.71073","MoKα","","0.0307","0.0275","","","0.0709","0.0727","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229442","17.175","0.003","4.0653","0.0008","14.421","0.003","90","","107.59","0.03","90","","959.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(1<i>H</i>-Tetrazol-5-yl)-1<i>H</i>-indole monohydrate","","- C9 H9 N5 O -","- C9 H9 N5 O -","- C36 H36 N20 O4 -","4","1","LH5195","Ge, Yu-Hua; Han, Pei; Wei, Ping; Ou-yang, Ping-Kai","6-(1<i>H</i>-Tetrazol-5-yl)-1<i>H</i>-indole monohydrate","Acta Crystallographica Section E","2011","67","3","o692","","10.1107/S1600536811003990","","","0.71073","MoKα","","0.1361","0.0663","","","0.1133","0.1313","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229443","4.742","0.0005","45.25","0.003","7.8191","0.0009","90","","106.332","0.002","90","","1610.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>n</i>-Tridecylamine chloride monohydrate","","- C13 H32 Cl N O -","- C13 H32 Cl N O -","- C52 H128 Cl4 N4 O4 -","4","1","LH5197","Zhang, Lijun; Di, Youying; Dan, Wenyan","<i>n</i>-Tridecylamine chloride monohydrate","Acta Crystallographica Section E","2011","67","3","o717","","10.1107/S1600536811006246","","","0.71073","MoKα","","0.1386","0.0672","","","0.1098","0.1238","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229444","9.0771","0.0003","16.6307","0.0007","7.4393","0.0003","90","","112.794","0.001","90","","1035.32","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-1-(3-sulfonatopropyl)pyridinium monohydrate","","- C8 H14 N2 O4 S -","- C8 H14 N2 O4 S -","- C32 H56 N8 O16 S4 -","4","1","LH5199","Adam, Farook; Ali, Tammar H.; Kueh, Chien-Wen; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","2-Amino-1-(3-sulfonatopropyl)pyridinium monohydrate","Acta Crystallographica Section E","2011","67","3","o580","","10.1107/S1600536811004107","","","0.71073","MoKα","","0.0314","0.0283","","","0.0798","0.082","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229445","10.4457","0.0011","8.8245","0.0009","13.2114","0.0015","90","","90","","90","","1217.8","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","<i>N</i>-(2-aminophenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide","4-(2-Aminophenyl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","LH5200","Li, Jian","4-(2-Aminophenyl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","Acta Crystallographica Section E","2011","67","3","o588","","10.1107/S160053681100362X","","","0.71073","MoKα","","0.0616","0.0409","","","0.0781","0.0837","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229446","14.0344","0.0015","8.6746","0.0009","10.2304","0.0011","90","","95.62","0.001","90","","1239.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diaminium 2-(methoxycarbonyl)benzoate dihydrate","","- C22 H32 N2 O10 -","- C22 H32 N2 O10 -","- C44 H64 N4 O20 -","2","0.5","LH5202","Li, Jian","Butane-1,4-diaminium 2-(methoxycarbonyl)benzoate dihydrate","Acta Crystallographica Section E","2011","67","3","o587","","10.1107/S1600536811003618","","","0.71073","MoKα","","0.0653","0.0425","","","0.1018","0.1226","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229447","8.0241","0.0017","11.58","0.002","15.842","0.003","68.595","0.002","75.578","0.002","73.616","0.003","1297.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[2,9-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>'](methanol-κ<i>O</i>)(nitrito- κ^2^<i>O</i>,<i>O</i>')cadmium(II) perchlorate","","- C23 H24 Cd Cl N7 O7 -","- C23 H24 Cd Cl N7 O7 -","- C46 H48 Cd2 Cl2 N14 O14 -","2","1","LH5203","Liu, Li Zhen; Chi, Yan Hui; Du, Hua; Shi, Jing Min","[2,9-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>'](methanol-κ<i>O</i>)(nitrito-κ^2^<i>O</i>,<i>O</i>')cadmium(II) perchlorate","Acta Crystallographica Section E","2011","67","3","m330","","10.1107/S1600536811003813","","","0.71073","MoKα","","0.0548","0.0435","","","0.099","0.1113","","","","","","1.023","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229448","6.863","0.001","10.487","0.002","12.765","0.002","104.608","0.001","97.998","0.001","98.121","0.001","865.3","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(cytosinium) aquapentachloridoindate(III)","","- C8 H14 Cl5 In N6 O3 -","- C8 H14 Cl5 In N6 O3 -","- C16 H28 Cl10 In2 N12 O6 -","2","1","LH5204","Bouacida, Sofiane; Belhouas, Ratiba; Fantazi, Boubakeur; Boudaren, Chaouki; Roisnel, Thierry","Bis(cytosinium) aquapentachloridoindate(III)","Acta Crystallographica Section E","2011","67","3","m317","m318","10.1107/S1600536811004235","","","0.71073","MoKα","","0.0233","0.02","","","0.0467","0.0481","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229449","10.3059","0.0009","10.503","0.0009","10.9473","0.0009","71.743","0.002","67.294","0.002","63.265","0.002","962.15","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloro-2,2-difluoroacetyl)- <i>N</i>,<i>N</i>'-dimethylphosphoric triamide","","- C18 H21 Cl F2 N3 O2 P -","- C18 H21 Cl F2 N3 O2 P -","- C36 H42 Cl2 F4 N6 O4 P2 -","2","1","LH5205","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Saneei, Anahid","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloro-2,2-difluoroacetyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide","Acta Crystallographica Section E","2011","67","3","o663","o664","10.1107/S1600536811005423","","","0.71073","MoKα","","0.0597","0.0486","","","0.1032","0.1105","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229450","6.10302","0.00011","8.39246","0.00016","28.2487","0.0005","90","","93.6941","0.0016","90","","1443.87","0.05","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-Dimethyl-3-[4-(trifluoromethoxy)anilino]cyclohex-2-enone","","- C15 H16 F3 N O2 -","- C15 H16 F3 N O2 -","- C60 H64 F12 N4 O8 -","4","1","LH5206","North, Henry; Wutoh, Kwame; Odoom, M'egya K.; Karla, Pradeep; Scott, Kenneth R.; Butcher, Ray J.","2,5-Dimethyl-3-[4-(trifluoromethoxy)anilino]cyclohex-2-enone","Acta Crystallographica Section E","2011","67","3","o603","o604","10.1107/S1600536811004338","","","1.54184","CuKα","","0.0549","0.0521","","","0.1359","0.1382","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229451","5.5526","0.0002","44.489","0.002","8.0931","0.0004","90","","100.788","0.003","90","","1963.9","0.15","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Decylammonium octanoate","Decylammonium octanoate","","- C18 H39 N O2 -","- C18 H39 N O2 -","- C72 H156 N4 O8 -","4","1","LH5207","Jefferson, Andrew E.; Sun, Chenguang; Bond, Andrew D.; Clarke, Stuart M.","Decylammonium octanoate","Acta Crystallographica Section E","2011","67","3","o655","","10.1107/S1600536811005125","","","0.71073","MoKα","","0.0967","0.0506","","","0.1083","0.1277","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229452","22.58","0.0004","22.58","0.0004","13.7196","0.0005","90","","90","","90","","6995","0.3","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","1-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol","","- C23 H14 N4 O -","- C23 H14 N4 O -","- C368 H224 N64 O16 -","16","1","LH5209","Wang, Xiu-Yan; Ma, Shuai; He, Yu","1-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol","Acta Crystallographica Section E","2011","67","3","o725","","10.1107/S1600536811005861","","","0.71073","MoKα","","0.0351","0.0307","","","0.077","0.0811","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229453","10.9468","0.0003","11.0416","0.0004","15.3133","0.0005","99.719","0.001","102.996","0.001","110.963","0.001","1619.71","0.09","175","2","175","2","","","","","","","","4","P -1","-P 1","2","","4,5-Bis(2,4-di-<i>tert</i>-butylphenoxy)phthalonitrile","","- C36 H44 N2 O2 -","- C36 H44 N2 O2 -","- C72 H88 N4 O4 -","2","1","LR2003","van Tonder, Johannes H.; Muller, Theunis J.; Bezuidenhoudt, Barend C. B.","4,5-Bis(2,4-di-<i>tert</i>-butylphenoxy)phthalonitrile","Acta Crystallographica Section E","2011","67","3","o705","o706","10.1107/S1600536811006118","","","0.71073","MoKα","","0.0803","0.0524","","","","0.1475","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229454","6.6117","0.0003","16.4344","0.0007","17.2331","0.0008","90","","97.1","0.002","90","","1858.18","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>endo</i>-11-(Dibenzylamino)tetracyclo[5.4.0.0^3,10^.0^5,9^]undecane-8-one","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","LX2177","Karpoormath, Rajshekhar; Govender, Patrick; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","<i>endo</i>-11-(Dibenzylamino)tetracyclo[5.4.0.0^3,10^.0^5,9^]undecane-8-one","Acta Crystallographica Section E","2011","67","3","o619","","10.1107/S160053681100479X","","","1.54184","CuKα","","0.0667","0.066","","","0.1723","0.1728","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229455","10.7591","0.0005","13.2318","0.0006","21.0558","0.001","90","","94.61","0.001","90","","2987.9","0.2","185","2","185","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[<i>N</i>'-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato- κ^2^<i>N</i>',<i>O</i>]tris(pyridine-κ<i>N</i>)cobalt(III) perchlorate","","- C30 H27 Cl Co N5 O7 -","- C30 H27 Cl Co N5 O7 -","- C120 H108 Cl4 Co4 N20 O28 -","4","1","MW2001","Yu, Gui-Miao; Yang, Xiu-Yun; Wang, Yuan; Xiao, Ya-Juan; Li, Yun-Hui","[<i>N</i>'-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]tris(pyridine-κ<i>N</i>)cobalt(III) perchlorate","Acta Crystallographica Section E","2011","67","3","m329","","10.1107/S1600536811004715","","","0.71073","MoKα","","0.0428","0.0363","","","0.0687","0.0719","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229456","14.7172","0.0002","15.068","0.0002","20.4214","0.0003","90","","105.377","0.001","90","","4366.51","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua[4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]nitratocopper(II) nitrate [4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]dinitratocopper(II) monohydrate","","- C42 H32 Cl2 Cu2 N10 O14 -","- C42 H32 Cl2 Cu2 N10 O14 -","- C168 H128 Cl8 Cu8 N40 O56 -","4","1","NC2216","Zhao, Juan; Shi, Shuo; Yao, Tianming; Tan, Zhongfei","Aqua[4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]nitratocopper(II) nitrate [4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]dinitratocopper(II) monohydrate","Acta Crystallographica Section E","2011","67","3","m346","","10.1107/S1600536811005290","","","1.54178","CuKα","","0.0523","0.0442","","","0.1108","0.1147","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229457","14.3138","0.0013","14.2231","0.0014","6.7648","0.0007","90","","91.021","0.001","90","","1377","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methanaminium 3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate","","- C10 H9 Cl4 N O4 -","- C10 H9 Cl4 N O4 -","- C40 H36 Cl16 N4 O16 -","4","1","NC2219","Li, Jian","Methanaminium 3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate","Acta Crystallographica Section E","2011","67","3","o605","","10.1107/S1600536811004351","","","0.71073","MoKα","","0.0555","0.0342","","","0.0771","0.0917","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229458","7.1009","0.0003","10.6485","0.0005","9.2022","0.0004","90","","93.37","0.001","90","","694.61","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(Methoxycarbonothioyl)sulfanyl]acetic acid","","- C4 H6 O3 S2 -","- C4 H6 O3 S2 -","- C16 H24 O12 S8 -","4","1","NG5085","Xiao, Shude; Charpentier, Paul A.","2-[(Methoxycarbonothioyl)sulfanyl]acetic acid","Acta Crystallographica Section E","2011","67","3","o575","","10.1107/S1600536811003941","","","0.71073","MoKα","","0.0262","0.0213","","","0.053","0.0555","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229459","9.1461","0.0018","10.49","0.002","15.474","0.003","90","","98.14","0.03","90","","1469.7","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrimidin-2-amine‒1-phenylcyclopentane-1-carboxylic acid (1/1)","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","NG5101","He, Guangwen; Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Pyrimidin-2-amine‒1-phenylcyclopentane-1-carboxylic acid (1/1)","Acta Crystallographica Section E","2011","67","3","o552","o553","10.1107/S1600536811003667","","","0.71073","MoKα","","0.0704","0.0677","","","0.1751","0.1777","","","","","","1.208","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229460","6.8556","0.0002","10.0532","0.0002","10.5912","0.0003","117.016","0.001","94.138","0.001","97.995","0.001","636.36","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","9-Aminoacridinium nitrate monohydrate","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","NG5102","Pourayoubi, Mehrdad; Eshtiagh-Hosseini, Hossein; Sanaei Ataabadi, Somayyeh; Mancilla Percino, Teresa; A. Leyva Ramírez, Marco","9-Aminoacridinium nitrate monohydrate","Acta Crystallographica Section E","2011","67","3","o565","","10.1107/S1600536811003953","","","0.71073","MoKα","","0.0655","0.045","","","0.1204","0.1324","","","","","","1.042","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229461","7.3604","0.0005","4.431","0.0006","14.0245","0.001","90","","92.482","0.001","90","","456.97","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-Dibromo-2,3-dimethylphenol","","- C8 H8 Br2 O -","- C8 H8 Br2 O -","- C16 H16 Br4 O2 -","2","1","NG5106","Liu, Qiaoru; Wang, Jungang; Xue, Weijian; Li, Qi","4,6-Dibromo-2,3-dimethylphenol","Acta Crystallographica Section E","2011","67","3","o712","","10.1107/S1600536811003151","","","0.71073","MoKα","","0.0468","0.0366","","","0.0851","0.0899","","","","","","0.992","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229462","5.3469","0.0003","16.4849","0.0008","10.5475","0.0006","90","","99.183","0.005","90","","917.77","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-(1,3-Benzodioxol-5-yl)but-3-en-2-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","NG5110","Sarveswari, S.; Vijayakumar, V.; Mathew, Priya Susan; Mendoza-Meroño, Rafael; García-Granda, Santiago","(<i>E</i>)-4-(1,3-Benzodioxol-5-yl)but-3-en-2-one","Acta Crystallographica Section E","2011","67","3","o583","","10.1107/S1600536811004077","","","1.54184","CuKα","","0.0605","0.036","","","0.0842","0.0944","","","","","","0.924","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229463","32.748","0.002","8.8501","0.0005","8.6366","0.0005","90","","90.478","0.002","90","","2503","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-7-(4-Chlorophenyl)-5,7-dihydro-4<i>H</i>- pyrano[3,4-<i>c</i>]isoxazole-3-carbaldehyde oxime","","- C13 H11 Cl N2 O3 -","- C13 H11 Cl N2 O3 -","- C104 H88 Cl8 N16 O24 -","8","1","NG5111","Lim, Hyun Sub; Kim, Hyung Jin; Otgonbaatar, Enkhzul; Kwak, Chee-Hun","(<i>E</i>)-7-(4-Chlorophenyl)-5,7-dihydro-4<i>H</i>-pyrano[3,4-<i>c</i>]isoxazole-3-carbaldehyde oxime","Acta Crystallographica Section E","2011","67","3","o671","","10.1107/S1600536811005575","","","0.71073","MoKα","","0.0465","0.038","","","0.0963","0.1006","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229464","6.4084","0.0013","6.5941","0.0013","26.705","0.005","90","","91.7","0.03","90","","1128","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nitrofurantoin methanol monosolvate","(<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione methanol monosolvate","","- C9 H10 N4 O6 -","- C9 H10 N4 O6 -","- C36 H40 N16 O24 -","4","1","NG5112","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Nitrofurantoin methanol monosolvate","Acta Crystallographica Section E","2011","67","3","o550","o551","10.1107/S1600536811003679","","","0.71073","MoKα","","0.0878","0.0708","","","0.1217","0.1287","","","","","","1.239","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229465","28.387","0.003","14.96","0.0013","7.8054","0.0006","90","","93.216","0.001","90","","3309.5","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Propan-1-aminium 3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate","","- C12 H13 Cl4 N O4 -","- C12 H13 Cl4 N O4 -","- C96 H104 Cl32 N8 O32 -","8","1","NG5113","Li, Jian","Propan-1-aminium 3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate","Acta Crystallographica Section E","2011","67","3","o630","","10.1107/S1600536811004879","","","0.71073","MoKα","","0.1104","0.0541","","","0.1155","0.1352","","","","","","1.016","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229466","18.2091","0.0002","15.8998","0.0003","19.0327","0.0003","90","","90","","90","","5510.37","0.15","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Diiodidobis[4-(4-nitrobenzyl)pyridine-κ<i>N</i>^1^]zinc","","- C24 H20 I2 N4 O4 Zn -","- C24 H20 I2 N4 O4 Zn -","- C192 H160 I16 N32 O32 Zn8 -","8","2","NG5114","Smith, Graham; Wermuth, Urs D.; Williams, Michael L.","Diiodidobis[4-(4-nitrobenzyl)pyridine-κ<i>N</i>^1^]zinc","Acta Crystallographica Section E","2011","67","3","m359","","10.1107/S1600536811005939","","","0.71073","MoKα","","0.0516","0.0318","","","0.0532","0.0563","","","","","","0.888","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229467","25.745","0.002","7.5774","0.0006","18.8628","0.0015","90","","121.795","0.005","90","","3127.6","0.5","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[(2-Chloro-4-nitrophenyl)diazenyl]-<i>N</i>,<i>N</i>-diethylaniline","","- C16 H17 Cl N4 O2 -","- C16 H17 Cl N4 O2 -","- C128 H136 Cl8 N32 O16 -","8","1","NG5115","Gong, Liangyu; Lu, Lihua","4-[(2-Chloro-4-nitrophenyl)diazenyl]-<i>N</i>,<i>N</i>-diethylaniline","Acta Crystallographica Section E","2011","67","3","o662","","10.1107/S160053681100537X","","","0.7107","MoKα","","0.0906","0.0436","","","0.1037","0.1322","","","","","","1.032","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229468","10.8442","0.0009","11.431","0.001","19.2701","0.0016","90","","90","","90","","2388.7","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-Methyl-4'-(1-naphthyl)-1'',2'',3'',4''-tetrahydroindane-2-spiro-2'- pyrrolidine-3'-spiro-2''-naphthalene-1,3,1''-trione","","- C32 H25 N O3 -","- C32 H25 N O3 -","- C128 H100 N4 O12 -","4","1","NG5116","Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Saravanan, P.; Raghunathan, R.","1'-Methyl-4'-(1-naphthyl)-1'',2'',3'',4''-tetrahydroindane-2-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-1,3,1''-trione","Acta Crystallographica Section E","2011","67","3","o629","","10.1107/S1600536811004880","","","0.71073","MoKα","","0.0432","0.0391","","","0.1086","0.1122","","","","","","1.101","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229469","7.2823","0.0003","11.1519","0.0007","14.9834","0.0007","90","","90","","90","","1216.82","0.11","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Dimethylamino-9,10-anthraquinone","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","NG5119","Niedziałkowski, Paweł; Narloch, Joanna; Trzybiński, Damian; Ossowski, Tadeusz","1-Dimethylamino-9,10-anthraquinone","Acta Crystallographica Section E","2011","67","3","o723","","10.1107/S1600536811006829","","","0.71073","MoKα","","0.0566","0.0369","","","0.075","0.0794","","","","","","0.955","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229470","5.65","0.0005","7.3921","0.0008","13.9769","0.0014","98.588","0.002","91.095","0.001","97.59","0.001","571.7","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chloroanilino)-1-phenylethanone","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C28 H24 Cl2 N2 O2 -","2","1","NG5121","Yao, Xing-Jun; Yuan, Qian","2-(4-Chloroanilino)-1-phenylethanone","Acta Crystallographica Section E","2011","67","3","o710","","10.1107/S1600536811006404","","","0.71073","MoKα","","0.098","0.0608","","","0.1478","0.1776","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229471","6.4306","0.0005","17.2588","0.0015","13.0235","0.0011","90","","92.84","0.004","90","","1443.6","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dichloridobis(propane-1,3-diamine- κ^2^<i>N</i>,<i>N</i>')chromium(III) perchlorate","","- C6 H20 Cl3 Cr N4 O4 -","- C6 H20 Cl3 Cr N4 O4 -","- C24 H80 Cl12 Cr4 N16 O16 -","4","1","NK2086","Choi, Jong-Ha; Clegg, William","<i>trans</i>-Dichloridobis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III) perchlorate","Acta Crystallographica Section E","2011","67","3","m381","","10.1107/S1600536811006349","","","0.71073","MoKα","","0.0334","0.0282","","","0.0704","0.0746","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229472","13.4795","0.0004","20.4372","0.0007","8.041","0.0003","90","","90","","90","","2215.16","0.13","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ethylenediammonium dipicrate dihydrate","Ethane-1,2-diaminium bis(2,4,6-trinitrophenolate) dihydrate","","- C14 H18 N8 O16 -","- C14 H18 N8 O16 -","- C56 H72 N32 O64 -","4","0.5","OM2399","Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.","Ethane-1,2-diaminium dipicrate dihydrate","Acta Crystallographica Section E","2011","67","3","o637","o638","10.1107/S1600536811004855","","","0.71073","MoKα","","0.1065","0.0629","","","0.1772","0.1962","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229473","10.619","0.004","19.799","0.007","15.715","0.006","90","","103.116","0.006","90","","3218","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pyridinium tetrakis(1,1,1-trifluoropentane-2,4-dionato)dysprosate","","- C25 H22 Dy F12 N O8 -","- C25 H22 Dy F12 N O8 -","- C100 H88 Dy4 F48 N4 O32 -","4","1","OM2404","Wang, Yan; Wang, Yuekui; Jia, Jie; Gao, Xiaoli; Su, Xiaoling","Pyridinium tetrakis(1,1,1-trifluoropentane-2,4-dionato)dysprosate","Acta Crystallographica Section E","2011","67","3","m341","","10.1107/S1600536811005034","","","0.71073","MoKα","","0.0752","0.0498","","","0.1102","0.1214","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2229474","9.621","0.004","18.622","0.006","18.955","0.007","90","","104.17","0.03","90","","3293","2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-1-methyl-2-[4-(piperidin-1-yl)phenyl]quinolin-4(1<i>H</i>)-one","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C168 H176 N16 O16 -","8","2","OM2406","Wera, Michał; Pivovarenko, Vasyl G.; Sikorski, Artur; Lis, Tadeusz; Błażejowski, Jerzy","3-Hydroxy-1-methyl-2-[4-(piperidin-1-yl)phenyl]quinolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o654","","10.1107/S1600536811005046","","","0.71073","MoKα","","0.1282","0.0586","","","0.1191","0.1325","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229475","9.87","0.005","11.211","0.006","14.603","0.007","90","","107.072","0.007","90","","1544.7","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-5,7-dimethoxychroman-4-ol","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","PB2047","Shaikh, Mahidansha M.; Maguire, Glenn E.M.; Kruger, Hendrik G.; du Toit, Karen","3-Benzyl-5,7-dimethoxychroman-4-ol","Acta Crystallographica Section E","2011","67","3","o703","","10.1107/S1600536811002066","","","0.71073","MoKα","","0.0437","0.0374","","","0.0956","0.1002","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229476","8.7068","0.0017","15.269","0.003","13.684","0.003","90","","107.47","0.03","90","","1735.3","0.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Azido{4,4'-dibromo-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)","","- C16 H12 Br2 Mn N5 O2 -","- C16 H12 Br2 Mn N5 O2 -","- C64 H48 Br8 Mn4 N20 O8 -","4","1","PK2299","Liu, Yingxia","Azido{4,4'-dibromo-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)","Acta Crystallographica Section E","2011","67","3","m322","","10.1107/S1600536811004594","","","0.71073","MoKα","","0.0451","0.0299","","","0.069","0.0739","","","","","","1.037","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2229477","10.3215","0.0004","10.6465","0.0004","12.4546","0.0005","81.566","0.003","74.79","0.003","83.641","0.003","1302.63","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-butyl-<i>N</i>- methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)","","- C22 H32 Cd N4 S4 -","- C22 H32 Cd N4 S4 -","- C44 H64 Cd2 N8 S8 -","2","1","PK2304","Jamaluddin, Nur Amirah; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-butyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)","Acta Crystallographica Section E","2011","67","3","m384","m385","10.1107/S1600536811006878","","","0.71073","MoKα","","0.0389","0.029","","","0.0608","0.0656","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229478","9.06","0.0002","10.9238","0.0002","12.7845","0.0003","90","","102.759","0.002","90","","1234.03","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Di-<i>tert</i>-butylchlorido(<i>N</i>,<i>N</i>-dibenzyldithiocarbamato)tin(IV)","","- C23 H32 Cl N S2 Sn -","- C23 H32 Cl N S2 Sn -","- C46 H64 Cl2 N2 S4 Sn2 -","2","1","PK2305","Abdul Muthalib, Amirah Faizah; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","Di-<i>tert</i>-butylchlorido(<i>N</i>,<i>N</i>-dibenzyldithiocarbamato)tin(IV)","Acta Crystallographica Section E","2011","67","3","m386","","10.1107/S1600536811006866","","","0.71073","MoKα","","0.0359","0.0317","","","0.0689","0.0718","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229479","8.4976","0.0016","9.0263","0.0017","16.421","0.003","83.536","0.002","79.821","0.002","71.089","0.002","1170.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-Ethyl 2-cyano-3-[4-(4,5-diphenyl-1<i>H</i>-imidazol-2-yl)phenyl]acrylate dihydrate","","- C27 H25 N3 O4 -","- C27 H25 N3 O4 -","- C54 H50 N6 O8 -","2","1","PV2361","Liao, Wei-Xing; Peng, Yi-Wen; Yu, Li; Ning, Xiao-Qing; Zeng, He-Ping","(<i>E</i>)-Ethyl 2-cyano-3-[4-(4,5-diphenyl-1<i>H</i>-imidazol-2-yl)phenyl]acrylate dihydrate","Acta Crystallographica Section E","2011","67","3","o707","","10.1107/S1600536811006039","","","0.71073","MoKα","","0.066","0.0481","","","0.1202","0.1341","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229480","10.235","0.002","7.842","0.0016","30.385","0.006","90","","96.65","0.03","90","","2422.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}- 3-(4-fluorophenyl)prop-2-en-1-one","","- C28 H29 F N2 O3 -","- C28 H29 F N2 O3 -","- C112 H116 F4 N8 O12 -","4","1","PV2381","Teng, Yan-Bo; Dai, Zhao-Hui; Wu, Bin","(<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","3","o697","","10.1107/S1600536811006210","","","0.71073","MoKα","","0.1325","0.0606","","","0.1349","0.1697","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229481","9.0415","0.0002","8.3294","0.0002","13.1283","0.0003","90","","90.169","0.002","90","","988.69","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","","- C10 H12 N2 S -","- C10 H12 N2 S -","- C40 H48 N8 S4 -","4","1","PV2384","Ziaulla, Mohamed; Banu, Afshan; Begum, Noor Shahina; Panchamukhi, Shridhar I.; Khazi, I. M.","2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","Acta Crystallographica Section E","2011","67","3","o699","","10.1107/S1600536811006076","","","0.71073","MoKα","","0.0574","0.0403","","","0.1024","0.1074","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229482","10.5552","0.0002","12.0275","0.0002","12.4612","0.0002","105.686","0.001","96.748","0.001","92.949","0.001","1506.78","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Poly[diaquatris(μ~4~-1,3-phenylenediacetato)dicerium(III)]","","- C30 H28 Ce2 O14 -","- C30 H28 Ce2 O14 -","- C60 H56 Ce4 O28 -","2","1","PV2385","Gao, Zhu-Qing; Li, Hong-Jin; Gu, Jin-Zhong","Poly[diaquatris(μ~4~-1,3-phenylenediacetato)dicerium(III)]","Acta Crystallographica Section E","2011","67","3","m310","","10.1107/S1600536811003801","","","0.71073","MoKα","","0.034","0.0254","","","0.0501","0.0538","","","","","","1.011","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229483","8.0276","0.0002","9.6048","0.0002","10.0851","0.0002","102.534","0.001","103.365","0.001","97.85","0.001","724.09","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'- [1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium","","- C11 H17 Cd Cl2 N3 -","- C11 H17 Cd Cl2 N3 -","- C22 H34 Cd2 Cl4 N6 -","2","1","PV2387","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium","Acta Crystallographica Section E","2011","67","3","m348","","10.1107/S1600536811005538","","","0.71073","MoKα","","0.0165","0.0155","","","0.0377","0.0384","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229484","11.9007","0.0004","12.8521","0.0004","14.6202","0.0005","109.852","0.002","90.743","0.002","92.775","0.002","2099.76","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","9,10-dimethoxy-3-methyl-6-phenyl-7,7a- dihydrobenzo[<i>b</i>]benzo[4,5]isothiazolo[2,3-<i>d</i>][1,4]diazepine 12,12-dioxide","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C96 H88 N8 O16 S4 -","4","2","RK2256","Bassin, Jatinder P.; Shah, Virender P.; Martin, Lee; Horton, Peter N.","Racemic 9,10-dimethoxy-3-methyl-6-phenyl-7,7a-dihydrobenzo[<i>b</i>]benzo[4,5]isothiazolo[2,3-<i>d</i>][1,4]diazepine 12,12-dioxide","Acta Crystallographica Section E","2011","67","3","o684","o685","10.1107/S1600536811004983","","","0.71073","MoKα","","0.0654","0.0405","","","0.0959","0.106","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229485","12.867","0.007","18.07","0.01","9.649","0.005","90","","108.955","0.006","90","","2122","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-{2-[2-(Dibromomethyl)phenoxy]ethoxy}benzyloxy)benzaldehyde","","- C23 H20 Br2 O4 -","- C23 H20 Br2 O4 -","- C92 H80 Br8 O16 -","4","1","RK2257","Xia, Juan; Liu, Xiang; Wang, An-Qi; Su, Zhong-Xing","2-(2-{2-[2-(Dibromomethyl)phenoxy]ethoxy}benzyloxy)benzaldehyde","Acta Crystallographica Section E","2011","67","3","o714","","10.1107/S160053681100643X","","","0.71073","MoKα","","0.1399","0.0616","","","0.1668","0.2069","","","","","","1.018","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229486","8.611","0.008","12.555","0.012","13.436","0.012","76.222","0.01","73.299","0.01","81.015","0.01","1345","2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3- <i>d</i>]pyrimidine-6-carboxylato]copper(II) bis[4-(4-carboxyphenoxy)benzoate]","","- C56 H56 Cu N10 O18 -","- C56 H56 Cu N10 O18 -","- C56 H56 Cu N10 O18 -","1","0.5","RK2260","Sun, Dian-Zhen; Zhang, Guang-Ju; Chen, Hai-Yan; He, Jiang-Hong; Yan, Shi-Wei","Diaquabis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-<i>d</i>]pyrimidine-6-carboxylato]copper(II) bis[4-(4-carboxyphenoxy)benzoate]","Acta Crystallographica Section E","2011","67","3","m388","","10.1107/S1600536811006672","","","0.71073","MoKα","","0.0576","0.0493","","","0.1344","0.14","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229487","7.7056","0.0008","8.2159","0.0008","16.0972","0.0016","77.422","0.001","79.804","0.001","75.983","0.001","956.67","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridinium] tetrachloridozincatee","","- C14 H22 Cl4 N4 Zn -","- C14 H22 Cl4 N4 Zn -","- C28 H44 Cl8 N8 Zn2 -","2","1","RK2262","Kefi, Riadh; Lefebvre, Frederic; Zeller, Matthias; Ben Nasr, Cherif","Bis[4-(dimethylamino)pyridinium] tetrachloridozincate","Acta Crystallographica Section E","2011","67","3","m343","","10.1107/S1600536811005010","","","0.71073","MoKα","","0.0208","0.0201","","","0.053","0.0533","","","","","","1.067","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229488","8.4098","0.0003","8.7252","0.0002","8.7724","0.0003","74.673","0.002","66.267","0.001","75.809","0.002","561.24","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5,7,7,12,14,14-Hexamethyl-4,8-diaza-1,11-diazoniocyclotetradeca-4,11-diene diiodide dihydrate","","- C16 H38 I2 N4 O2 -","- C16 H38 I2 N4 O2 -","- C16 H38 I2 N4 O2 -","1","0.5","RK2263","Kennedy, Alan R.; Lutta, Samwel T.; Morrison, Catriona A.; Okoth, Maurice O.; Orang'o, Daniel M.","5,7,7,12,14,14-Hexamethyl-4,8-diaza-1,11-diazoniocyclotetradeca-4,11-diene diiodide dihydrate","Acta Crystallographica Section E","2011","67","3","o682","o683","10.1107/S1600536811005848","","","0.71073","MoKα","","0.0203","0.0194","","","0.0458","0.0464","","","","","","1.177","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229489","13.5464","0.001","20.1124","0.0015","14.2535","0.0011","90","","105.118","0.002","90","","3749","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-[(2-Hydroxybenzylidene)amino]-11-(2-hydroxyphenyl)-10,13-diphenyl-8-oxa- 12-azoniatricyclo[7.3.1.0^2,7^]trideca-2(7),3,5-triene acetate ethanol disolvate","","- C42 H46 N2 O7 -","- C42 H46 N2 O7 -","- C168 H184 N8 O28 -","4","1","RK2264","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Soldatova, Svetlana A.; Khrustalev, Victor N.","9-[(2-Hydroxybenzylidene)amino]-11-(2-hydroxyphenyl)-10,13-diphenyl-8-oxa-12-azoniatricyclo[7.3.1.0^2,7^]trideca-2(7),3,5-triene acetate ethanol disolvate","Acta Crystallographica Section E","2011","67","3","o560","o561","10.1107/S160053681100376X","","","0.71073","MoKα","","0.0805","0.0435","","","0.0915","0.1069","","","","","","1.006","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229490","23.104","0.003","11.5871","0.0015","17.618","0.002","90","","117.655","0.002","90","","4177.7","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,11,17,23-Tetrakis(chloromethyl)-25,26,27,28-tetrapropoxycalix[4]arene","","- C44 H52 Cl4 O4 -","- C44 H52 Cl4 O4 -","- C176 H208 Cl16 O16 -","4","0.5","RK2266","Kutter, Felix; Düker, Matthias H.; Zeller, Matthias; Azov, Vladimir A.","5,11,17,23-Tetrakis(chloromethyl)-25,26,27,28-tetrapropoxycalix[4]arene","Acta Crystallographica Section E","2011","67","3","o728","o729","10.1107/S160053681100660X","","","0.71073","MoKα","","0.0526","0.045","","0.1188","0.1141","0.1188","","","","","","0.9738","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229491","7.5277","0.0013","12.9969","0.0019","18.438","0.003","90","","90","","90","","1803.9","0.5","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(9,9-Diethyl-9<i>H</i>-fluoren-2-yl)-1-benzofuran","","- C25 H22 O -","- C25 H22 O -","- C100 H88 O4 -","4","1","RN2074","Huang, Ping-Hsin; Lin, Kai-Ling; Wen, Yuh-Sheng","2-(9,9-Diethyl-9<i>H</i>-fluoren-2-yl)-1-benzofuran","Acta Crystallographica Section E","2011","67","3","o743","","10.1107/S1600536811006957","","","0.71073","MoKα","","0.0913","0.0575","","","0.1234","0.146","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229492","19.888","0.004","10.887","0.002","11.612","0.002","90","","103.62","0.03","90","","2443.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3-methoxybenzoato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)copper(II) monohydrate","","- C26 H24 Cu N2 O7 -","- C26 H24 Cu N2 O7 -","- C104 H96 Cu4 N8 O28 -","4","0.5","RN2078","Lin, Ming-Hao; Zhou, Jing-Fan; Liu, Bin-Bin; Lin, Jian-Li","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3-methoxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)copper(II) monohydrate","Acta Crystallographica Section E","2011","67","3","m352","","10.1107/S1600536811005563","","","0.71073","MoKα","","0.049","0.0405","","","0.1075","0.1126","","","","","","1.053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229493","6.3338","0.0007","8.2826","0.0008","6.3599","0.0007","90","","90.19","0.01","90","","333.64","0.06","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Vanadium(V) oxide arsenate(V)","","- As O5 V -","- As O5 V -","- As4 O20 V4 -","4","1","RU2001","Ezzine Yahmed, Safa; Zid, Mohamed Faouzi; Driss, Ahmed","Vanadium(V) oxide arsenate(V), VOAsO~4~","Acta Crystallographica Section E","2011","67","3","i21","","10.1107/S1600536811004053","","","0.71073","MoKα","","0.0201","0.0183","","","0.0567","0.0574","","","","","","1.16","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229494","8.0487","0.0011","6.7247","0.0009","12.7467","0.0017","90","","101.802","0.007","90","","675.33","0.16","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-6-methylpyridinium 4-nitrobenzoate","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","RZ2548","Dai, Wei-Min; Zhou, He; Hu, Yi-Qiao","2-Amino-6-methylpyridinium 4-nitrobenzoate","Acta Crystallographica Section E","2011","67","3","o578","","10.1107/S1600536811003539","","","0.71073","MoKα","","0.0521","0.0389","","","0.0933","0.1052","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229495","15.8805","0.0011","11.3878","0.0011","12.6754","0.0008","90","","90","","90","","2292.3","0.3","93","2","93","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","4-iodoanilinium perchlorate‒18-crown-6 (1/1)","","- C18 H31 Cl I N O10 -","- C18 H31 Cl I N O10 -","- C72 H124 Cl4 I4 N4 O40 -","4","0.5","RZ2549","Zhang, Yi; Zhao, Min-Min","4-Iodoanilinium perchlorate 18-crown-6 clathrate","Acta Crystallographica Section E","2011","67","3","o596","","10.1107/S1600536811004260","","","0.71073","MoKα","","0.0278","0.0244","","","0.0787","0.0929","","","","","","1.113","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229496","11.4234","0.0011","8.9384","0.0009","8.949","0.0009","90","","105.904","0.001","90","","878.78","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Methoxyphenyl)methanaminium chloride","","- C8 H12 Cl N O -","- C8 H12 Cl N O -","- C32 H48 Cl4 N4 O4 -","4","1","RZ2550","Kefi, Riadh; Matthias, Zeller; Ben Nasr, Cherif","(4-Methoxyphenyl)methanaminium chloride","Acta Crystallographica Section E","2011","67","3","o634","","10.1107/S1600536811004363","","","0.71073","MoKα","","0.0288","0.0266","","","0.0708","0.0721","","","","","","1.071","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229497","14.1988","0.0004","12.5743","0.0003","19.7098","0.0006","90","","92.51","0.002","90","","3515.61","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2-Hydroxyethyl)triphenylphosphonium chloride","","- C20 H20 Cl O P -","- C20 H20 Cl O P -","- C160 H160 Cl8 O8 P8 -","8","1","RZ2551","Ceylan, Ümit; Tanak, Hasan; Türkkan, Ercan; Dereli, Ömer; Büyükgüngör, Orhan","(2-Hydroxyethyl)triphenylphosphonium chloride","Acta Crystallographica Section E","2011","67","3","o641","","10.1107/S160053681100482X","","","0.71073","MoKα","","0.0414","0.0358","","","0.0974","0.1007","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","211196","2020-10-21","18:00:00",""
"2229498","9.5171","0.0019","9.5341","0.0019","14.952","0.003","90","","93.93","0.03","90","","1353.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Diazoniabicyclo[2.2.2]octane tetrabromidocuprate(II) monohydrate","","- C6 H16 Br4 Cu N2 O -","- C6 H16 Br4 Cu N2 O -","- C24 H64 Br16 Cu4 N8 O4 -","4","1","RZ2552","Zhang, Yi; Wang, Bo","1,4-Diazoniabicyclo[2.2.2]octane tetrabromidocuprate(II) monohydrate","Acta Crystallographica Section E","2011","67","3","m371","","10.1107/S1600536811005289","","","0.71073","MoKα","","0.0753","0.0521","","","0.1089","0.1163","","","","","","1.095","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229499","7.0769","0.0009","12.7212","0.0016","18.225","0.002","90","","98.994","0.001","90","","1620.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(4-Chloro-2-{[(pyridin-2- ylmethyl)imino]methyl}phenolato)iodido(methanol)zinc(II)","","- C14 H14 Cl I N2 O2 Zn -","- C14 H14 Cl I N2 O2 Zn -","- C56 H56 Cl4 I4 N8 O8 Zn4 -","4","1","RZ2553","Huang, Hong-Wei","(4-Chloro-2-{[(pyridin-2-ylmethyl)imino]methyl}phenolato)iodido(methanol)zinc(II)","Acta Crystallographica Section E","2011","67","3","m313","","10.1107/S160053681100417X","","","0.71073","MoKα","","0.0332","0.0247","","","0.054","0.0577","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229500","7.1517","0.0007","12.819","0.0013","15.3294","0.0016","69.774","0.001","77.74","0.001","87.721","0.001","1287.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Cyanobenzyl)-3,5-dimethylpyridinium bis(benzene-1,2-dithiolato)nickelate(III)","","- C27 H23 N2 Ni S4 -","- C27 H23 N2 Ni S4 -","- C54 H46 N4 Ni2 S8 -","2","1","RZ2554","Dong, Yan-Jie; Kong, Xue-Jun","1-(4-Cyanobenzyl)-3,5-dimethylpyridinium bis(benzene-1,2-dithiolato)nickelate(III)","Acta Crystallographica Section E","2011","67","3","m339","","10.1107/S1600536811004971","","","0.71073","MoKα","","0.044","0.0363","","","0.094","0.0979","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229501","11.3944","0.0018","9.4515","0.0015","12.438","0.002","90","","110.678","0.002","90","","1253.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-3-(indan-1-yloxy)pyridin-2-amine","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C56 H52 Br4 N8 O4 -","4","1","RZ2555","Cho-Schultz, Sujin; Kath, John C.; Moore, Curtis; Rheingold, Arnold L.; Yanovsky, Alex","5-Bromo-3-(indan-1-yloxy)pyridin-2-amine","Acta Crystallographica Section E","2011","67","3","o650","","10.1107/S1600536811005332","","","0.71073","MoKα","","0.029","0.023","","","0.051","0.054","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229502","8.0024","0.0002","9.1279","0.0002","15.9767","0.0003","90","","90","","90","","1167.02","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(1<i>H</i>-indole-3-carboxamido)acetate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","RZ2556","Hu, Fang; Zheng, Le; Zeng, Xiang Chao; Li, Kai Ping","Methyl 2-(1<i>H</i>-indole-3-carboxamido)acetate","Acta Crystallographica Section E","2011","67","3","o742","","10.1107/S1600536811006660","","","1.54178","CuKα","","0.0296","0.0291","","","0.0765","0.0771","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229503","6.9153","0.0001","9.5122","0.0001","15.1545","0.0002","72.196","0.001","80.941","0.001","69.845","0.001","889.48","0.02","100","","100","","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C18 H19 Br N4 S -","- C18 H19 Br N4 S -","- C36 H38 Br2 N8 S2 -","2","1","RZ2558","Fun, Hoong-Kun; Suwunwong, Thitipone; Chantrapromma, Suchada","3-(4-Bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2011","67","3","o701","o702","10.1107/S1600536811006106","","","0.71073","MoKα","","0.0342","0.0275","","","0.0703","0.0728","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229504","7.935","0.0005","8.461","0.0004","19.004","0.0011","90","","90","","90","","1275.89","0.12","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chloro-1-[4-(2-fluorobenzyl)piperazin-1-yl]ethanone","","- C13 H16 Cl F N2 O -","- C13 H16 Cl F N2 O -","- C52 H64 Cl4 F4 N8 O4 -","4","1","SI2316","Zhang, Cunlong; Zhai, Xin; Wan, Furen; Gong, Ping; Jiang, Yuyang","2-Chloro-1-[4-(2-fluorobenzyl)piperazin-1-yl]ethanone","Acta Crystallographica Section E","2011","67","3","o708","","10.1107/S1600536811006180","","","0.71069","MoKα","","0.0438","0.0352","","","0.0795","0.0848","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229505","8.0222","0.0003","18.2466","0.0009","10.3478","0.0004","90","","101.042","0.003","90","","1486.65","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 8-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","SI2329","Keleşoğlu, Zeynep; Gültekin, Zeynep; Büyükgüngör, Orhan","Dimethyl 8-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2011","67","3","o544","o545","10.1107/S1600536811003564","","","0.71073","MoKα","","0.086","0.0594","","","0.1538","0.1694","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229506","19.6443","0.0002","10.6159","0.0001","8.3553","0.0001","90","","90","","90","","1742.43","0.03","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Dichloridobis[2-(morpholin-4-yl)ethanamine-κ^2^<i>N</i>,<i>N</i>']cadmium","","- C12 H28 Cd Cl2 N4 O2 -","- C12 H28 Cd Cl2 N4 O2 -","- C48 H112 Cd4 Cl8 N16 O8 -","4","0.5","SI2331","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dichloridobis[2-(morpholin-4-yl)ethanamine-κ^2^<i>N</i>,<i>N</i>']cadmium","Acta Crystallographica Section E","2011","67","3","m298","","10.1107/S1600536811003709","","","0.71073","MoKα","","0.0475","0.0389","","","0.0746","0.0777","","","","","","1.277","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229507","6.4011","0.0008","6.7666","0.0008","11.0642","0.001","84.728","0.007","81.84","0.008","69.127","0.008","442.8","0.09","137","1","137","2","","","","","","","","4","P -1","-P 1","2","","(η^4^-<i>s</i>-<i>cis</i>-1,3-Butadiene)tetracarbonylchromium(0)","","- C8 H6 Cr O4 -","- C8 H6 Cr O4 -","- C16 H12 Cr2 O8 -","2","1","SI2332","Reiss, Guido J.; Finze, Maik","(η^4^-<i>s</i>-<i>cis</i>-1,3-Butadiene)tetracarbonylchromium(0)","Acta Crystallographica Section E","2011","67","3","m333","","10.1107/S1600536811004636","","","0.71073","MoKα","","0.0336","0.0276","","","0.0664","0.0676","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229508","10.8697","0.0008","7.7741","0.0006","11.3979","0.0008","90","","115.817","0.001","90","","867.01","0.11","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","<i>catena</i>-Poly[[dimethylbis(thiocyanato-κ<i>N</i>)tin(IV)]- μ-(4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')]","","- C14 H14 N4 S2 Sn -","- C14 H14 N4 S2 Sn -","- C28 H28 N8 S4 Sn2 -","2","0.25","SI2334","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","<i>catena</i>-Poly[[dimethylbis(thiocyanato-κ<i>N</i>)tin(IV)]-μ-(4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')]","Acta Crystallographica Section E","2011","67","3","m350","","10.1107/S1600536811005459","","","0.71073","MoKα","","0.0231","0.023","","","0.0606","0.0606","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229509","11.631","0.0007","10.4912","0.0006","16.4452","0.0009","90","","109.672","0.001","90","","1889.57","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Triethylammonium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","","- C12 H20 Cl4 N2 O2 Sn -","- C12.008 H20 Cl4 N2 O2 Sn -","- C48.032 H80 Cl16 N8 O8 Sn4 -","4","1","SI2335","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Triethylammonium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2011","67","3","m351","","10.1107/S1600536811005460","","","0.71073","MoKα","","0.0236","0.0194","","","0.0462","0.0484","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229510","4.5653","0.0004","14.7886","0.0012","14.5378","0.0011","90","","93.805","0.002","90","","979.35","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-Bis[(1<i>H</i>-imidazol-1-yl)methyl]-2,2'-bipyridine methanol disolvate","","- C20 H24 N6 O2 -","- C20 H24 N6 O2 -","- C40 H48 N12 O4 -","2","0.5","SJ5094","Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min","5,5'-Bis[(1<i>H</i>-imidazol-1-yl)methyl]-2,2'-bipyridine methanol disolvate","Acta Crystallographica Section E","2011","67","3","o554","","10.1107/S1600536811003643","","","0.71073","MoKα","","0.0581","0.0411","","","0.1198","0.1438","","","","","","1.086","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229511","8.6939","0.0007","8.7834","0.0008","10.4722","0.0009","89.334","0.002","69.846","0.002","68.114","0.002","690.32","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,3-Dibromo-3-(5-nitro-2-furyl)-1-phenylpropan-1-one","","- C13 H9 Br2 N O4 -","- C13 H9 Br2 N O4 -","- C26 H18 Br4 N2 O8 -","2","1","SJ5095","Shahani, Tara; Fun, Hoong-Kun; Nithinchandra; Kalluraya, Balakrishna","2,3-Dibromo-3-(5-nitro-2-furyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2011","67","3","o546","","10.1107/S1600536811003552","","","0.71073","MoKα","","0.0544","0.0433","","","0.097","0.0995","","","","","","1.33","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229512","10.3693","0.0009","8.1844","0.0007","16.4715","0.0017","90","","92.836","0.009","90","","1396.2","0.2","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methylbenzoic acid","","- C8 H8 O2 -","- C8 H8 O2 -","- C64 H64 O16 -","8","2","SJ5096","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina; Kennedy, Alan R.","Redetermination of 3-methylbenzoic acid","Acta Crystallographica Section E","2011","67","3","o569","o570","10.1107/S1600536811003849","","","0.71073","MoKα","","0.105","0.045","","","0.092","0.104","","","","","","0.834","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229513","12.1831","0.0003","5.4674","0.0001","24.6064","0.0007","90","","106.005","0.002","90","","1575.5","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-phenyl-2,3-dihydro-1,4-dioxatriphenylene","2-Phenyl-2,3-dihydrophenanthro[9,10-<i>b</i>][1,4]dioxine","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","SJ5097","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong; Zhang, Yan","2-Phenyl-2,3-dihydrophenanthro[9,10-<i>b</i>][1,4]dioxine","Acta Crystallographica Section E","2011","67","3","o572","","10.1107/S1600536811003904","","","0.71073","MoKα","","0.0801","0.0491","","","0.1251","0.1452","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229514","12.3851","0.0002","19.6516","0.0003","12.7586","0.0002","90","","104.698","0.001","90","","3003.66","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Bis[(3-butylimidazol-3-ium-1-yl)methyl]-1,3,5-trimethylbenzene bis(hexafluorophosphate)","","- C25 H38 F12 N4 P2 -","- C25 H38 F12 N4 P2 -","- C100 H152 F48 N16 P8 -","4","1","SJ5098","Haque, Rosenani A.; Salman, Abbas Washeel; Hemamalini, Madhukar; Fun, Hoong-Kun","2,4-Bis[(3-butylimidazol-3-ium-1-yl)methyl]-1,3,5-trimethylbenzene bis(hexafluorophosphate)","Acta Crystallographica Section E","2011","67","3","o562","o563","10.1107/S1600536811003916","","","0.71073","MoKα","","0.111","0.0549","","","0.1125","0.1348","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229515","9.9393","0.0005","17.9047","0.0009","13.2532","0.0007","90","","100.715","0.001","90","","2317.4","0.2","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate","","- C24 H30 N2 O4 S -","- C24 H30 N2 O4 S -","- C96 H120 N8 O16 S4 -","4","1","SJ5101","Fun, Hoong-Kun; Kaewmanee, Narissara; Chanawanno, Kullapa; Chantrapromma, Suchada","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylpyridinium benzenesulfonate monohydrate","Acta Crystallographica Section E","2011","67","3","o593","o594","10.1107/S1600536811004156","","","0.71073","MoKα","","0.093","0.0569","","","0.1492","0.1729","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229516","5.4507","0.0003","11.2166","0.0006","12.577","0.0007","90","","94.984","0.001","90","","766.03","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[bis[μ~2~-(dimethylazaniumyl)methylenediphosphonato]magnesium]","","- C6 H20 Mg N2 O12 P4 -","- C6 H20 Mg N2 O12 P4 -","- C12 H40 Mg2 N4 O24 P8 -","2","0.5","SJ5102","Hu, Qiao-Sheng; Deng, Xiao-Yu; Sun, Yu-Hui; Du, Zi-Yi","Poly[bis[μ~2~-(dimethylazaniumyl)methylenediphosphonato]magnesium]","Acta Crystallographica Section E","2011","67","3","m362","m363","10.1107/S1600536811005976","","","0.71073","MoKα","","0.0247","0.0241","","","0.0653","0.0657","","","","","","1.089","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229517","9.87","0.003","11.871","0.004","12.459","0.004","66.788","0.004","86.066","0.004","87.462","0.004","1338.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-cyclohexane-1,4-dicarboxylato)bis{aqua[1-(1<i>H</i>- imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol]cadmium} monohydrate","","- C62 H53 Cd2 N8 O13 -","- C62 H52 Cd2 N8 O13 -","- C62 H52 Cd2 N8 O13 -","1","0.5","SJ5103","Wang, Xiu-Yan; Ma, Shuai; He, Yu","Bis(μ-cyclohexane-1,4-dicarboxylato)bis{aqua[1-(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol]cadmium} monohydrate","Acta Crystallographica Section E","2011","67","3","m325","","10.1107/S1600536811004727","","","0.71073","MoKα","","0.0308","0.0264","","","0.064","0.0663","","","","","","1.042","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229518","9.515","0.0019","10.885","0.002","12.594","0.003","90","","90","","90","","1304.4","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9a-Hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3- <i>b</i>]furan-2(8a<i>H</i>)-one","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","SJ5106","Liu, Wen-Hong; He, Jie; Ding, Zhi-Shan; Song, Zhong-Cheng; Zhan, Zha-Jun","9a-Hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3-<i>b</i>]furan-2(8a<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o730","o731","10.1107/S1600536811006519","","","0.71073","MoKα","","0.0425","0.035","","","0.087","0.0913","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229519","25.4718","0.0017","7.0666","0.0003","15.0815","0.0006","90","","94.373","0.003","90","","2706.8","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(2-Hydroxy-3-methoxyphenyl)-6<i>H</i>-perimidin-6-one","","- C18 H12 N2 O3 -","- C18 H12 N2 O3 -","- C144 H96 N16 O24 -","8","1","SJ5107","Fun, Hoong-Kun; Chanawanno, Kullapa; Chantrapromma, Suchada","2-(2-Hydroxy-3-methoxyphenyl)-6<i>H</i>-perimidin-6-one","Acta Crystallographica Section E","2011","67","3","o715","o716","10.1107/S1600536811006465","","","0.71073","MoKα","","0.1323","0.066","","","0.1728","0.2095","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229520","10.0055","0.0003","10.6931","0.0005","12.5378","0.0005","93.692","0.003","97.136","0.003","93.995","0.003","1324.17","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","6-Chloro-9-(2-nitrophenylsulfonyl)-9<i>H</i>-purine","","- C11 H6 Cl N5 O4 S -","- C11 H6 Cl N5 O4 S -","- C44 H24 Cl4 N20 O16 S4 -","4","2","SU2246","Wang, Ning-Yu; Deng, Mei; Xia, Yong; Yu, Luo-Ting","6-Chloro-9-(2-nitrophenylsulfonyl)-9<i>H</i>-purine","Acta Crystallographica Section E","2011","67","3","o687","","10.1107/S1600536811003102","","","0.7107","MoKα","","0.0485","0.0366","","","0.0841","0.0918","","","","","","1.023","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229521","10.0023","0.0015","10.8168","0.0016","11.1094","0.0016","116.772","0.002","107.226","0.002","98.557","0.002","967.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(cyanato-κ<i>N</i>)bis(5,7-dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine- κ<i>N</i>^3^)zinc","","- C16 H16 N10 O2 Zn -","- C16 H16 N10 O2 Zn -","- C32 H32 N20 O4 Zn2 -","2","1","SU2253","Caballero, Ana B.; Quirós, Miguel; Rodríguez-Diéguez, Antonio; Salas, Juan M.","Bis(cyanato-κ<i>N</i>)bis(5,7-dimethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-κ<i>N</i>^3^)zinc","Acta Crystallographica Section E","2011","67","3","m345","","10.1107/S1600536811005769","","","0.71069","MoKα","","0.0504","0.0393","","","0.0993","0.1063","","","","","","1.009","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229522","8.0601","0.0002","15.9736","0.0003","21.2568","0.0003","90","","94.384","0.003","90","","2728.78","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-ethylbenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)zinc(II)","","- C30 H30 N4 O6 Zn -","- C30 H30 N4 O6 Zn -","- C120 H120 N16 O24 Zn4 -","4","1","SU2256","Necefoğlu, Hacali; Özbek, Füreya Elif; Aktaş, Vedat; Tercan, Barış; Hökelek, Tuncer","Bis(4-ethylbenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)zinc(II)","Acta Crystallographica Section E","2011","67","3","m382","m383","10.1107/S1600536811006830","","","0.71073","MoKα","","0.0407","0.0317","","","0.0741","0.0782","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229523","13.2323","0.0013","13.2323","0.0013","7.9807","0.0008","90","","90","","120","","1210.2","0.2","298","2","298","2","","","","","","","","4","P 32","P 32","145","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2-Dichloro-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C48 H72 Cl6 O3 -","3","1","TK2714","Benharref, Ahmed; Lassaba, Essêdiya; Avignant, Daniel; Oudahmane, Abdelghani; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol","Acta Crystallographica Section E","2011","67","3","o615","","10.1107/S1600536811004788","","","0.71073","MoKα","","0.0483","0.0453","","","0.1206","0.1257","","","","","","1.086","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229524","10.66","0.002","21.742","0.004","9.2767","0.0019","90","","108.03","0.03","90","","2044.5","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenol","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","TK2716","Kargar, Hadi; Kia, Reza; Pahlavani, Elham; Tahir, Muhammad Nawaz","4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2011","67","3","o614","","10.1107/S1600536811004776","","","0.71073","MoKα","","0.156","0.0305","","","0.0447","0.0577","","","","","","0.565","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229525","6.8601","0.0001","15.3432","0.0003","18.9065","0.0004","90","","91.676","0.002","90","","1989.17","0.06","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{6,6'-Dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}nickel(II) dimethylformamide monosolvate","","- C21 H25 N3 Ni O5 -","- C21 H25 N3 Ni O5 -","- C84 H100 N12 Ni4 O20 -","4","1","TK2717","Ayikoé, Kouassi; Butcher, Ray J.; Gultneh, Yilma","{6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","3","m328","","10.1107/S1600536811004818","","","1.54178","CuKα","","0.0442","0.0414","","","0.1121","0.1137","","","","","","1.101","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229526","42.976","0.007","5.5763","0.0009","16.072","0.003","90","","92.618","0.002","90","","3847.6","1.1","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","[(2<i>R</i>,5<i>R</i>,6<i>S</i>,9<i>R</i>)-6-Isopropyl-9-methyl-1,4- dioxaspiro[4.5]decan-2-yl]methyl 4-bromobenzoate","","- C20 H27 Br O4 -","- C20 H27 Br O4 -","- C160 H216 Br8 O32 -","8","2","TK2718","Kiessling, Anthony; Zeller, Matthias","[(2<i>R</i>,5<i>R</i>,6<i>S</i>,9<i>R</i>)-6-Isopropyl-9-methyl-1,4-dioxaspiro[4.5]decan-2-yl]methyl 4-bromobenzoate","Acta Crystallographica Section E","2011","67","3","o733","o734","10.1107/S1600536811006428","","","0.71073","MoKα","","0.0849","0.0579","","","0.1324","0.1481","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229527","24.1245","0.0012","5.8507","0.0003","15.4723","0.0008","90","","91.837","0.005","90","","2182.72","0.19","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Bromo-2-methyl-<i>N</i>-(4-nitrophenyl)propanamide","","- C10 H11 Br N2 O3 -","- C10 H11 Br N2 O3 -","- C80 H88 Br8 N16 O24 -","8","1","TK2720","Moreno-Fuquen, Rodolfo; Quintero, David E.; Zuluaga, Fabio; Haiduke, Roberto L. A.; Kennedy, Alan R.","2-Bromo-2-methyl-<i>N</i>-(4-nitrophenyl)propanamide","Acta Crystallographica Section E","2011","67","3","o659","","10.1107/S1600536811005320","","","0.71073","MoKα","","0.0423","0.0316","","","0.0613","0.0678","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229528","11.4128","0.0016","14.45","0.002","14.539","0.002","90","","90","","90","","2397.7","0.6","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Nitrophenyl 2-bromo-2-methylpropanoate","","- C10 H10 Br N O4 -","- C10 H10 Br N O4 -","- C80 H80 Br8 N8 O32 -","8","1","TK2722","Rizzoli, Corrado; Marku, Elda; Greci, Lucedio","4-Nitrophenyl 2-bromo-2-methylpropanoate","Acta Crystallographica Section E","2011","67","3","o698","","10.1107/S1600536811005988","","","0.71073","MoKα","","0.1009","0.0457","","","0.1209","0.1321","","","","","","0.997","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229529","7.1711","0.0013","20.106","0.004","11.272","0.002","90","","106.781","0.002","90","","1556","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4,4'-Bipyridine‒5-fluoroisophthalic acid (1/1)","4,4'-Bipyridine‒5-fluorobenzene-1,3-dicarboxylic acid (1/1)","","- C18 H13 F N2 O4 -","- C18 H13 F N2 O4 -","- C72 H52 F4 N8 O16 -","4","1","VM2069","Qin, Jin-Lai","4,4'-Bipyridine‒5-fluoroisophthalic acid (1/1)","Acta Crystallographica Section E","2011","67","3","o589","","10.1107/S1600536811004016","","","0.71073","MoKα","","0.0832","0.0588","","","0.1462","0.1656","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229530","8.3572","0.0017","12.13","0.002","13.891","0.003","91.64","0.03","106.85","0.03","99.52","0.03","1324.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{μ-6,6'-Dimethoxy-2,2-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolate}trinitratocopper(II)dysprosium(III) methanol monosolvate","","- C20 H24 Cu Dy N5 O14 -","- C20 H24 Cu Dy N5 O14 -","- C40 H48 Cu2 Dy2 N10 O28 -","2","1","VM2074","Xu, Lili; Li, Hong-Feng; Chen, Peng; Yan, Peng-Fei","{μ-6,6'-Dimethoxy-2,2-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}trinitratocopper(II)dysprosium(III) methanol monosolvate","Acta Crystallographica Section E","2011","67","3","m367","","10.1107/S1600536811005253","","","0.71073","MoKα","","0.0413","0.039","","","0.1046","0.1082","","","","","","1.054","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229531","6.767","0.0014","9.946","0.002","12.229","0.002","90","","92.63","0.03","90","","822.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,4-Dimethylbenzamide","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","VM2076","Xu, Jia-Ying; Cheng, Wei-Hua","<i>N</i>,4-Dimethylbenzamide","Acta Crystallographica Section E","2011","67","3","o557","","10.1107/S1600536811003527","","","0.71073","MoKα","","0.0735","0.0501","","","0.1457","0.1658","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229532","15.74","0.003","10.573","0.002","10.322","0.002","90","","103.86","0.03","90","","1667.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]-4- methylbenzenesulfonohydrazide","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","VM2077","Shahverdizadeh, Gholam Hossein; Bikas, Rahman; Eivazi, Maryam; Mahboubi Anarjan, Parisa; Notash, Behrouz","(<i>E</i>)-<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2011","67","3","o713","","10.1107/S1600536811006088","","","0.71073","MoKα","","0.1086","0.0531","","","0.1238","0.1433","","","","","","0.918","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229533","10.116","0.002","12.895","0.003","14.816","0.003","64.45","0.03","76.23","0.03","83.74","0.03","1693.5","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(8-hydroxy-2-methylquinolinium) bis(pyridine-2,6-dicarboxylato)cuprate(II) methanol monosolvate monohydrate","","- C35 H32 Cu N4 O12 -","- C35 H32 Cu N4 O12 -","- C70 H64 Cu2 N8 O24 -","2","1","VM2078","Aghabozorg, Hossein; Gholizadeh, Ahmad; Mirzaei, Masoud; Notash, Behrouz","Bis(8-hydroxy-2-methylquinolinium) bis(pyridine-2,6-dicarboxylato)cuprate(II) methanol monosolvate monohydrate","Acta Crystallographica Section E","2011","67","3","m379","m380","10.1107/S160053681100674X","","","0.71073","MoKα","","0.0509","0.0384","","","0.1045","0.109","","","","","","1.009","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229534","11.5329","0.0001","17.0104","0.0004","21.0021","0.0005","90","","90","","90","","4120.18","0.14","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)]","","- C38 H36 Br6 Cu2 N2 O4 -","- C38 H36 Br6 Cu2 N2 O4 -","- C152 H144 Br24 Cu8 N8 O16 -","4","0.5","VN2002","Sangtrirutnugul, Preeyanuch; Haesuwannakij, Setsiri; Sooksimuang, Thanasat; Prabpai, Samran; Kongsaeree, Palangpon","Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)]","Acta Crystallographica Section E","2011","67","3","m299","m300","10.1107/S1600536811003588","","","0.71073","MoKα","","0.065","0.0416","","","0.0957","0.1042","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229535","14.616","0.003","15.213","0.003","26.735","0.006","90","","90","","90","","5945","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholinium} dodecatungstophosphate hexahydrate","","- C18 H48 N15 O49 P W12 -","- C18 H48 N15 O49 P W12 -","- C72 H192 N60 O196 P4 W48 -","4","1","WM2435","Feizyzadeh, Babak; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Gholizadeh, Ahmad","Tris{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholinium} dodecatungstophosphate hexahydrate","Acta Crystallographica Section E","2011","67","3","m301","m302","10.1107/S1600536811003734","","","0.71073","MoKα","","0.0794","0.0522","","","0.0938","0.1041","","","","","","0.998","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229536","11.823","0.0001","14.6051","0.0002","26.3997","0.0004","90","","105.368","0.001","90","","4395.6","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[tetrakis(μ-2-anilinobenzoato-κ^2^<i>O</i>:<i>O</i>')tetra-μ~1,1,1~- azido-tetra-μ~1,1~-azido-octamethanolhexanickel(II)] methanol hexasolvate]","","- C66 H96 N28 Ni6 O22 -","- C66 H82 N28 Ni6 O22 -","- C132 H164 N56 Ni12 O44 -","2","0.5","WM2438","Liu, Yan-Ju; Fu, Xian-Jiao; Li, Xi-Feng; Qiu, Tian-Bao; Yang, Huai-Xia","Poly[[tetrakis(μ-2-anilinobenzoato-κ^2^<i>O</i>:<i>O</i>')tetra-μ~1,1,1~-azido-tetra-μ~1,1~-azido-octamethanolhexanickel(II)] methanol hexasolvate]","Acta Crystallographica Section E","2011","67","3","m307","m308","10.1107/S1600536811003473","","","0.71073","MoKα","","0.0912","0.0464","","","0.1116","0.1274","","","","","","1.017","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229537","6.4361","0.0007","11.1135","0.0012","12.5627","0.0014","96.693","0.004","104.646","0.003","101.192","0.003","839.76","0.16","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[pipH~2~][Ce(tda)~2~(H~2~O)]~2~.3H~2~O","Poly[[piperazine-1,4-dium [diaquatetrakis(μ-sulfanediyldiacetato)dicerate(III)]] trihydrate]","","- C20 H38 Ce2 N2 O21 S4 -","- C20 H32 Ce2 N2 O21 S4 -","- C20 H32 Ce2 N2 O21 S4 -","1","0.5","WM2442","Ghadermazi, Mohammad; Olmstead, Marilyn M.; Rostami, Shahideh; Attar Gharamaleki, Jafar","Poly[[piperazine-1,4-dium [diaquatetrakis(μ-sulfanediyldiacetato)dicerate(III)]] trihydrate]","Acta Crystallographica Section E","2011","67","3","m291","m292","10.1107/S1600536811002923","","","0.71073","MoKα","","0.0212","0.021","","","0.0562","0.0563","","","","","","1.108","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229538","9.953","0.002","7.5454","0.0016","15.461","0.003","90","","105.126","0.002","90","","1120.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[triaqua(μ~3~-4-oxidopyridine-2,6-dicarboxylato)terbium(III)] monohydrate]","","- C7 H10 N O9 Tb -","- C7 H10 N O9 Tb -","- C28 H40 N4 O36 Tb4 -","4","1","WM2449","Lv, Dong-Yu; Gao, Zhu-Qing; Gu, Jin-Zhong","Poly[[triaqua(μ~3~-4-oxidopyridine-2,6-dicarboxylato)terbium(III)] monohydrate]","Acta Crystallographica Section E","2011","67","3","m357","m358","10.1107/S1600536811005447","","","0.71073","MoKα","","0.0206","0.0191","","","0.0497","0.0508","","","","","","1.098","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229539","11.9335","0.0003","6.0667","0.0001","7.3278","0.0002","90","","93.491","0.002","90","","529.53","0.02","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Silver(I) polyphosphate","","- Ag O3 P -","- Ag O3 P -","- Ag8 O24 P8 -","8","2","WM2454","Terebilenko, Katherina V.; Zatovsky, Igor V.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.","Redetermination of AgPO~3~","Acta Crystallographica Section E","2011","67","3","i22","","10.1107/S1600536811003977","","","0.71073","MoKα","","0.0256","0.0238","","","","0.0582","","","","","","1.079","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229540","10.4688","0.0012","11.6327","0.0014","12.83","0.0015","78.672","0.003","87.609","0.003","67.571","0.003","1415.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetrakis(4-methylpyridine-κ<i>N</i>)copper(II)]- μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] 4.392-hydrate]","","- C24 H36.786 Cu N4 O8.393 S -","- C24 H36.786 Cu N4 O8.393 S -","- C48 H73.572 Cu2 N8 O16.786 S2 -","2","1","WM2458","Alam, Naveed; Shahid, Muhammad; Mazhar, Muhammad; Al-Jassabi, Saad; Zeller, Matthias; Hunter, Allen D.","<i>catena</i>-Poly[[[tetrakis(4-methylpyridine-κ<i>N</i>)copper(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] 4.393-hydrate]","Acta Crystallographica Section E","2011","67","3","m375","m376","10.1107/S1600536811006325","","","0.71073","MoKα","","0.0546","0.0463","","","0.1121","0.1176","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229541","10.4846","0.0013","11.966","0.0016","12.3514","0.0016","105.619","0.005","97.202","0.005","92.625","0.006","1475.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Poly[diaquatris(μ~4~-1,3-phenylenediacetato)dineodymium(III)]","Poly[diaquatris[μ~4~-2,2'-(<i>m</i>-phenylene)diacetato]dineodymium(III)]","","- C30 H28 Nd2 O14 -","- C30 H28 Nd2 O14 -","- C60 H56 Nd4 O28 -","2","1","WM2461","Gao, Zhu-Qing; Lv, Dong-Yu; Li, Hong-Ji; Gu, Jin-Zhong","Poly[diaquatris(μ~4~-1,3-phenylenediacetato)dineodymium(III)]","Acta Crystallographica Section E","2011","67","3","m387","","10.1107/S1600536811006817","","","0.71073","MoKα","","0.0249","0.0213","","","0.0517","0.0535","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229542","8.7857","0.0004","11.7907","0.0006","12.3188","0.0006","62.496","0.005","85.916","0.004","82.604","0.004","1122.35","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isonipecotamide hydrogen phthalate-phthalic acid adduct","4-Carbamoylpiperidinium 2-carboxybenzoate‒benzene-1,2-dicarboxylic acid (1/1)","","- C22 H24 N2 O9 -","- C22 H24 N2 O9 -","- C44 H48 N4 O18 -","2","1","WN2419","Smith, Graham; Wermuth, Urs D.","4-Carbamoylpiperidinium 2-carboxybenzoate‒benzene-1,2-dicarboxylic acid (1/1)","Acta Crystallographica Section E","2011","67","3","o566","","10.1107/S1600536811003825","","","0.71073","MoKα","","0.0503","0.0367","","","0.091","0.0944","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229543","13.8482","0.0019","5.0534","0.0008","18.048","0.003","90","","107.503","0.017","90","","1204.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline","","- C13 H9 Cl F3 N -","- C13 H9 Cl F3 N -","- C52 H36 Cl4 F12 N4 -","4","1","WN2420","Devarajegowda, H. C.; Arunkashi, H. K.; Vepuri, Suresh Babu; Chidananda, N.; Prasad, V. D. Jagadeesh","6-Chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline","Acta Crystallographica Section E","2011","67","3","o564","","10.1107/S1600536811003746","","","0.71073","MoKα","","0.1272","0.0409","","","0.0685","0.0814","","","","","","0.779","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229544","8.9851","0.0002","12.8044","0.0002","25.6419","0.0005","90","","102.611","0.001","90","","2878.9","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-bis(3-benzylimidazolium-1-ylmethyl)mesitylene dibromide","3,3'-Dibenzyl-1,1'-(2,4,6-trimethyl-<i>m</i>- phenylenedimethylene)diimidazol-3-ium dibromide","","- C31 H34 Br2 N4 -","- C31 H34 Br2 N4 -","- C124 H136 Br8 N16 -","4","1","WN2422","Haque, Rosenani A.; Salman, Abbas Washeel; Nadarajan, Paremala; Hemamalini, Madhukar; Fun, Hoong-Kun","3,3'-Dibenzyl-1,1'-(2,4,6-trimethyl-<i>m</i>-phenylenedimethylene)diimidazol-3-ium dibromide","Acta Crystallographica Section E","2011","67","3","o643","","10.1107/S1600536811005204","","","0.71073","MoKα","","0.0601","0.0404","","","0.0938","0.1009","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229545","10.795","0.002","14.386","0.003","9.797","0.002","90","","90","","90","","1521.4","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Benzyl-7-methylhexahydro-3a,7-methano-1<i>H</i>-furo[3,4-<i>c</i>]azocine- 3,10(4<i>H</i>)-dione","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","XU5143","Yang, Zhan-Kun; Wang, Feng-Peng","5-Benzyl-7-methylhexahydro-3a,7-methano-1<i>H</i>-furo[3,4-<i>c</i>]azocine-3,10(4<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","3","o577","","10.1107/S160053681100300X","","","0.71073","MoKα","","0.0696","0.0672","","","0.1658","0.1674","","","","","","1.164","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229546","6.3676","0.0006","7.3635","0.0007","7.6798","0.0007","65.554","0.009","87.705","0.008","88.884","0.008","327.54","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4-Bromo-1-nitrobenzene","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C12 H8 Br2 N2 O4 -","2","1","XU5150","Ali, Qamar; Raza Shah, M.; Ng, Seik Weng","4-Bromo-1-nitrobenzene","Acta Crystallographica Section E","2011","67","3","o548","","10.1107/S1600536811003394","","","0.71073","MoKα","","0.0477","0.0454","","","0.116","0.1186","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229547","10.476","0.002","16.552","0.004","20.238","0.004","90","","90","","90","","3509.2","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 5,6,7-trimethoxy-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C136 H168 N8 O56 -","8","1","XU5153","Gültekin, Zeynep; Frey, Wolfgang; Hökelek, Tuncer","Dimethyl 5,6,7-trimethoxy-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2011","67","3","o576","","10.1107/S1600536811004028","","","0.71073","MoKα","","0.1433","0.0697","","","0.1235","0.156","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229548","13.7075","0.0012","6.9734","0.0006","13.8507","0.0013","90","","108.512","0.001","90","","1255.45","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-Dinitro-<i>N</i>-(1,3-thiazol-2-yl)benzamide monohydrate","","- C10 H8 N4 O6 S -","- C10 H8 N4 O6 S -","- C40 H32 N16 O24 S4 -","4","1","XU5155","Saeed, Sohail; Rashid, Naghmana; Wong, Wing-Tak; Hussain, Rizwan","3,5-Dinitro-<i>N</i>-(1,3-thiazol-2-yl)benzamide monohydrate","Acta Crystallographica Section E","2011","67","3","o660","","10.1107/S1600536811005228","","","0.71073","MoKα","","0.0343","0.0292","","","0.0827","0.0879","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229549","8.0695","0.0003","13.0677","0.0005","17.6138","0.001","90","","99.501","0.005","90","","1831.89","0.15","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-3-methylbenzoic acid‒1,2-bis(4-pyridyl)ethane (1/1)","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","XU5156","Lush, Shie Fu; Chen, Chong Wei; Yang, Chieh; Shen, Fwu Ming","4-Amino-3-methylbenzoic acid‒1,2-bis(4-pyridyl)ethane (1/1)","Acta Crystallographica Section E","2011","67","3","o652","","10.1107/S1600536811005381","","","0.71073","MoKα","","0.1136","0.0444","","","0.077","0.082","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229550","6.3306","0.0002","16.9244","0.0006","22.5787","0.0008","90","","90","","90","","2419.12","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-{2-[(4<i>S</i>)-4-<i>tert</i>-Butyl-4,5-dihydro-1,3-oxazol- 2-yl]phenyl}-5,6-diphenyl-1,2,4-triazin-3-amine","","- C28 H27 N5 O -","- C28 H27 N5 O -","- C112 H108 N20 O4 -","4","1","XU5158","Karczmarzyk, Zbigniew; Wolińska, Ewa; Fruziński, Andrzej","<i>N</i>-{2-[(4<i>S</i>)-4-<i>tert</i>-Butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}-5,6-diphenyl-1,2,4-triazin-3-amine","Acta Crystallographica Section E","2011","67","3","o651","","10.1107/S1600536811005411","","","1.54178","CuKα","","0.0928","0.0501","","","0.1115","0.1343","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229551","7.325","0.0011","9.7916","0.0016","10.4532","0.0017","70.401","0.013","82.503","0.013","75.862","0.012","683.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","10-Hydroxy-2-azapentacyclo[10.8.0.0^2,10^.0^4,9^.0^15,20^]icosa- 1(12),4(9),5,7,13,15(20),16,18-octaene-3,11-dione","","- C19 H11 N O3 -","- C19 H11 N O3 -","- C38 H22 N2 O6 -","2","1","XU5159","Hashemian, Saeedeh; Notash, Behrouz","10-Hydroxy-2-azapentacyclo[10.8.0.0^2,10^.0^4,9^.0^15,20^]icosa-1(12),4(9),5,7,13,15(20),16,18-octaene-3,11-dione","Acta Crystallographica Section E","2011","67","3","o680","","10.1107/S1600536811005356","","","0.71073","MoKα","","0.052","0.0436","","","0.1196","0.1361","","","","","","1.133","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229552","10.5654","0.0002","13.1471","0.0003","11.626","0.0002","90","","105.257","0.002","90","","1557.99","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(3,6-Dibromo-9<i>H</i>-carbazol-9-yl)pentanenitrile","","- C17 H14 Br2 N2 -","- C17 H14 Br2 N2 -","- C68 H56 Br8 N8 -","4","1","XU5160","Uludağ, Nesimi; Ateş, Murat; Tercan, Barış; Hökelek, Tuncer","5-(3,6-Dibromo-9<i>H</i>-carbazol-9-yl)pentanenitrile","Acta Crystallographica Section E","2011","67","3","o642","","10.1107/S1600536811005162","","","0.71073","MoKα","","0.0309","0.0229","","","0.0513","0.0537","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229553","8.3716","0.0003","21.7722","0.0008","7.8915","0.0003","90","","90","","90","","1438.37","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-(3,4-Diacetyl-5-methyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","XU5161","Abdel-Aziz, Hatem A.; Bari, Ahmed; Ng, Seik Weng","4-(3,4-Diacetyl-5-methyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","3","o693","","10.1107/S1600536811005733","","","0.71073","MoKα","","0.0562","0.0418","","","0.0858","0.0953","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229554","10.9995","0.0007","11.0531","0.0008","11.4381","0.0008","95.113","0.006","111.582","0.006","118.219","0.007","1079.13","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-[(<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enoyl]-1-(4-methylphenyl)-5- phenyl-1<i>H</i>-pyrazole-4-carbonitrile","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C54 H42 N6 O4 -","2","1","XU5162","Abdel-Aziz, Hatem A.; Bari, Ahmed; Ng, Seik Weng","3-[(<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enoyl]-1-(4-methylphenyl)-5-phenyl-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2011","67","3","o694","","10.1107/S1600536811005770","","","0.71073","MoKα","","0.0823","0.053","","","0.1106","0.1332","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229555","6.2829","0.0002","24.5162","0.0007","15.918","0.0005","90","","91.925","0.003","90","","2450.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(5-Phenyl-4-phenylsulfonyl-1-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl)- 1,2-dihydroquinoxaline","","- C30 H24 N4 O2 S -","- C30 H24 N4 O2 S -","- C120 H96 N16 O8 S4 -","4","1","XU5163","Abdel-Aziz, Hatem A.; Bari, Ahmed; Ng, Seik Weng","3-(5-Phenyl-4-phenylsulfonyl-1-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl)-1,2-dihydroquinoxaline","Acta Crystallographica Section E","2011","67","3","o695","","10.1107/S1600536811005940","","","0.71073","MoKα","","0.0948","0.0618","","","0.1378","0.158","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229556","3.8869","0.0003","23.78","0.002","11.082","0.0007","90","","96.905","0.008","90","","1016.89","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-bromo-1-benzofuran-2-carboxylate","","- C11 H9 Br O3 -","- C11 H9 Br O3 -","- C44 H36 Br4 O12 -","4","1","XU5164","Abdel-Aziz, Hatem A.; Bari, Ahmed; Ng, Seik Weng","Ethyl 5-bromo-1-benzofuran-2-carboxylate","Acta Crystallographica Section E","2011","67","3","o696","","10.1107/S1600536811005897","","","0.71073","MoKα","","0.0713","0.0548","","","0.1025","0.1085","","","","","","1.181","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229557","8.8096","0.0018","12.025","0.002","14.693","0.003","90","","101.88","0.03","90","","1523.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(6,6'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II)","","- C12 H12 Hg I2 N2 -","- C12 H12 Hg I2 N2 -","- C48 H48 Hg4 I8 N8 -","4","1","YA2136","Alizadeh, Robabeh; Seifi, Sara; Amani, Vahid","(6,6'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II)","Acta Crystallographica Section E","2011","67","3","m305","","10.1107/S1600536811004041","","","0.71073","MoKα","","0.051","0.04","","","0.09","0.095","","","","","","1.1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229558","8.1681","0.0001","34.8396","0.0004","7.2031","0.0001","90","","114.573","0.001","90","","1864.16","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2,6-diaminopyridinium) bis(hydrogen oxalate) monohydrate","","- C14 H20 N6 O9 -","- C14 H20 N6 O9 -","- C56 H80 N24 O36 -","4","1","YK2001","Al-Dajani, Mohammad T. M.; Talaat, Jamal; Shamsuddin, Shaharum; Hemamalini, Madhukar; Fun, Hoong-Kun","Bis(2,6-diaminopyridinium) bis(hydrogen oxalate) monohydrate","Acta Crystallographica Section E","2011","67","3","o591","o592","10.1107/S1600536811004119","","","0.71073","MoKα","","0.0675","0.0476","","","0.1146","0.1266","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229559","9.1716","0.0014","28.888","0.002","10.4304","0.0012","90","","109.541","0.008","90","","2604.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(1<i>R</i>*,2<i>S</i>*)-<i>N</i>^1^-Benzyl-2-phenyl-1-(pyridin-2-yl)- <i>N</i>^2^-(pyridin-2-ylmethyl)ethane-1,2-diamine]dichloridozinc(II)","","- C26 H26 Cl2 N4 Zn -","- C26 H26 Cl2 N4 Zn -","- C104 H104 Cl8 N16 Zn4 -","4","1","ZJ2001","Bortoluzzi, Adailton J.; Mireski, Sandro L.; Joussef, Antonio C.","[(1<i>R</i>*,2<i>S</i>*)-<i>N</i>^1^-Benzyl-2-phenyl-1-(pyridin-2-yl)-<i>N</i>^2^-(pyridin-2-ylmethyl)ethane-1,2-diamine]dichloridozinc(II)","Acta Crystallographica Section E","2011","67","3","m337","m338","10.1107/S1600536811004314","","","0.71069","MoKα","","0.1277","0.0556","","","0.1362","0.1688","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229560","8.5231","0.0008","7.0598","0.0007","19.0329","0.0017","90","","98.88","0.001","90","","1131.51","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[diaquasodium]-μ~3~-5-carboxy-2-ethyl-1<i>H</i>- imidazole-4-carboxylato-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^:<i>O</i>^5^] monohydrate]","","- C7 H13 N2 Na O7 -","- C7 H13 N2 Na O7 -","- C28 H52 N8 Na4 O28 -","4","1","ZL2345","Li, Shi-Jie; Ma, Xiao-Tian; Song, Wen-Dong; Li, Xiao-Fei; Liu, Juan-Hua","Poly[[[diaquasodium]-μ~3~-5-carboxy-2-ethyl-1<i>H</i>-imidazole-4-carboxylato-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^:<i>O</i>^5^] monohydrate]","Acta Crystallographica Section E","2011","67","3","m295","m296","10.1107/S1600536811002741","","","0.71073","MoKα","","0.0535","0.039","","","0.0952","0.1085","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229561","20.276","0.006","5.7859","0.0017","14.786","0.004","90","","90","","90","","1734.6","0.9","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Benzoyl-3,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","ZQ2084","Zheng, Chang-Zheng; Wang, Liang; Liu, Juan","1-Benzoyl-3,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","3","o556","","10.1107/S1600536811003631","","","0.71073","MoKα","","0.0639","0.0354","","","0.0703","0.0811","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229562","10.9073","0.0003","19.194","0.0006","12.2246","0.0003","90","","91.809","0.002","90","","2558","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-[2-(3,5-dimethyl-4-oxo-2,6-diphenylpiperidin-1- yl)-2-oxoethyl]piperazine-1-carboxylate","","- C28 H35 N3 O4 -","- C28 H35 N3 O4 -","- C112 H140 N12 O16 -","4","1","ZQ2086","Rani, Mannangatty; Ramachandran, Rajamanickam; Kabilan, Senthamaraikannan; Jeong, Yeon Tae","Ethyl 4-[2-(3,5-dimethyl-4-oxo-2,6-diphenylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate","Acta Crystallographica Section E","2011","67","3","o541","","10.1107/S1600536811003412","","","0.71073","MoKα","","0.0763","0.0466","","","0.1211","0.1415","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229563","6.3714","0.001","7.8748","0.0013","15.339","0.003","78.616","0.003","89.537","0.003","74.707","0.003","727","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Bis[(benzothiazol-2-yl)methyl] sulfide","2,2'-(Sulfanediyldimethylene)bis(1,3-benzothiazole)","","- C16 H12 N2 S3 -","- C16 H12 N2 S3 -","- C32 H24 N4 S6 -","2","1","ZQ2087","Strasser, Christoph E.; Jongh, Leigh-Anne de; Raubenheimer, Helgard G.; Cronje, Stephanie","2,2'-(Sulfanediyldimethylene)bis(1,3-benzothiazole)","Acta Crystallographica Section E","2011","67","3","o622","","10.1107/S1600536811004478","","","0.71073","MoKα","","0.0413","0.0354","","","0.0848","0.0877","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229564","14.7037","0.0011","16.6601","0.0012","18.9258","0.0014","90","","90","","90","","4636.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","12b-acetoxy-12-(3-fluorobenzoyloxy)-4,6-bis(2,2,2-trichloroethoxycarbonyl)- 1,2a,3,4,4a,6,9,10,11,12,12a,12b-decahydro-9,11-dihydroxy-4a,8,13,13- tetramethyl-7,11-methano-5<i>H</i>-cyclodeca[3,4]benz[1,2-<i>b</i>]oxet-5-one monohydrate ethyl acetate monosolvate","(1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>, 10<i>R</i>,13<i>S</i>)-2-Debenzoyl-10-deacetyl-2-(3-fluorobenzoyl)-7,10- bis(2,2,2-trichloroethoxycarbonyl)baccatin III monohydrate ethyl acetate monosolvate","","- C39 H47 Cl6 F O17 -","- C39 H47 Cl6 F O17 -","- C156 H188 Cl24 F4 O68 -","4","1","ZS2080","Zhang, Chen; Xie, Cheng; Chang, Jun; Lu, Hong-Fu; Sun, Xun","(1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,10<i>R</i>,13<i>S</i>)-2-Debenzoyl-10-deacetyl-2-(3-fluorobenzoyl)-7,10-bis(2,2,2-trichloroethoxycarbonyl)baccatin III ethyl acetate monosolvate monohydrate","Acta Crystallographica Section E","2011","67","3","o547","","10.1107/S1600536811002790","","","0.71073","MoKα","","0.0777","0.0514","","","0.1064","0.1154","","","","","","0.907","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229565","4.9997","0.0003","11.4942","0.0006","13.8739","0.0007","74.214","0.003","79.637","0.004","84.108","0.004","753.5","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","5-Nitro-1-<i>n</i>-octyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C15 H21 N3 O3 -","- C15 H21 N3 O3 -","- C30 H42 N6 O6 -","2","1","ZS2090","Ouzidan, Younes; Kandri Rodi, Y.; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","5-Nitro-1-<i>n</i>-octyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o558","","10.1107/S1600536811003503","","","0.71073","MoKα","","0.1373","0.0548","","","0.112","0.1439","","","","","","0.954","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229566","19.4751","0.0006","19.7067","0.0006","20.6938","0.0007","113.881","0.003","113.983","0.003","95.343","0.002","6311.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2,2'-({2,2'-methylenebis[6-(2<i>H</i>-benzotriazol-2-yl)-4-(2,4,4- trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate","","- C47 H58 N6 O6 -","- C47 H58 N6 O6 -","- C282 H348 N36 O36 -","6","3","ZS2091","Qadri, Tahir; Anis, Itrat; Shah, M. R.; Ng, Seik Weng","Dimethyl 2,2'-({2,2'-methylenebis[6-(2<i>H</i>-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate","Acta Crystallographica Section E","2011","67","3","o722","","10.1107/S1600536811006362","","","0.71073","MoKα","","0.1134","0.0698","","","0.1526","0.185","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229567","11.4805","0.0004","13.8247","0.0004","14.618","0.0006","104.808","0.003","103.706","0.003","100.642","0.003","2103.58","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Bis[3-(2<i>H</i>-benzotriazol-2-yl)-2-(prop-2-ynyloxy)-5-(2,4,4- trimethylpentan-2-yl)phenyl]methane","2-(3-{[3-(1,2,3-benzotriazol-2-yl)-2-(prop-2-yn-1-yloxy)-5-(2,4,4- trimethylpentan-2-yl)phenyl]methyl}-2-(prop-2-yn-1-yloxy)-5-(2,4,4- trimethylpentan-2-yl)phenyl)-1,2,3-benzotriazole","","- C47 H54 N6 O2 -","- C47 H54 N6 O2 -","- C94 H108 N12 O4 -","2","1","ZS2092","Qadri, Tahir; Anis, Itrat; Shah, M. R.; Ng, Seik Weng","Bis[3-(2<i>H</i>-benzotriazol-2-yl)-2-(prop-2-ynyloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]methane","Acta Crystallographica Section E","2011","67","3","o738","","10.1107/S1600536811006374","","","0.71073","MoKα","","0.0726","0.0512","","","0.1117","0.1271","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229568","5.4933","0.0002","10.3063","0.0004","16.1655","0.0006","106.504","0.002","98.545","0.002","96.809","0.002","855.21","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-<i>n</i>-decyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C17 H25 N3 O3 -","- C17 H25 N3 O3 -","- C34 H50 N6 O6 -","2","1","ZS2093","Ouzidan, Younes; Kandri Rodi, Y.; Ladeira, Sonia; Essassi, El Mokhtar; Ng, Seik Weng","1-<i>n</i>-Decyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o613","","10.1107/S1600536811004399","","","0.71073","MoKα","","0.1237","0.0548","","","0.1361","0.1751","","","","","","0.893","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229569","7.624","0.001","7.156","0.001","23.19","0.002","90","","93.083","0.001","90","","1263.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[diaquacadmium]-μ-2,2'-(1,2-phenylenedioxy)diacetato] monohydrate]","","- C10 H14 Cd O9 -","- C10 H14 Cd O9 -","- C40 H56 Cd4 O36 -","4","1","ZS2094","Hou, Huan-Fu; Zhang, Xiu-Ling","<i>catena</i>-Poly[[[diaquacadmium]-μ-2,2'-(1,2-phenylenedioxy)diacetato] monohydrate]","Acta Crystallographica Section E","2011","67","3","m342","","10.1107/S1600536811004867","","","0.71073","MoKα","","0.0224","0.0201","","","0.0482","0.0493","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229570","6.6204","0.0002","12.8772","0.0003","14.0961","0.0004","90","","92.171","0.0012","90","","1200.86","0.06","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","piperazinium tetrachlorocadmium monohydrate","Piperazinediium tetrachloridocadmate monohydrate","","- C4 H14 Cd Cl4 N2 O -","- C4 H14 Cd Cl4 N2 O -","- C16 H56 Cd4 Cl16 N8 O4 -","4","1","ZS2095","El Glaoui, Meher; Ben Gharbia, Imen; Ferretti, Valeria; Ben Nasr, Cherif","Piperazinediium tetrachloridocadmate monohydrate","Acta Crystallographica Section E","2011","67","3","m340","","10.1107/S1600536811005095","","","0.71073","MoKα","","0.0416","0.0329","","","0.0772","0.0809","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229571","8.614","0.0002","10.9604","0.0003","11.4765","0.0003","91.858","0.002","96.193","0.002","96.011","0.002","1070.24","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>-Benzyl-<i>N</i>-ethyldithiocarbamato)di-<i>tert</i>- butylchloridotin(IV)","","- C18 H30 Cl N S2 Sn -","- C18 H30 Cl N S2 Sn -","- C36 H60 Cl2 N2 S4 Sn2 -","2","1","ZS2099","Abdul Muthalib, Amirah Faizah; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","(<i>N</i>-Benzyl-<i>N</i>-ethyldithiocarbamato)di-<i>tert</i>-butylchloridotin(IV)","Acta Crystallographica Section E","2011","67","3","m372","m373","10.1107/S1600536811006398","","","0.71073","MoKα","","0.018","0.018","","","0.045","0.046","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229572","10.262","0.002","15.24","0.003","10.967","0.002","90","","113.86","0.02","90","","1568.6","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Benzyl-3-[(1-oxidoethylidene)amino]-1-phenyl-4,5-dihydro-1<i>H</i>- 1,2,4-triazol-5-iminium","","- C17 H17 N5 O -","- C17 H17 N5 O -","- C68 H68 N20 O4 -","4","1","AA2002","Chernyshev, Victor M.; Mazharova, Anna G.; Rybakov, Victor B.","4-Benzyl-3-[(1-oxidoethylidene)amino]-1-phenyl-4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-iminium","Acta Crystallographica Section E","2011","67","4","o870","o871","10.1107/S1600536811006751","","","0.56085","AgKα","","0.0947","0.059","","","0.1383","0.16","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229573","7.6498","0.0003","11.3715","0.0005","21.555","0.001","90","","92.008","0.004","90","","1873.91","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4,4-Difluoro-1,3,5,7-tetramethyl-3a-aza-4a-azonia-4-borata-<i>s</i>- indacen-8-yl)benzonitrile","","- C20 H18 B F2 N3 -","- C20 H18 B F2 N3 -","- C80 H72 B4 F8 N12 -","4","1","AA2003","Chen, Yuting; Jiang, Jianzhuang","4-(4,4-Difluoro-1,3,5,7-tetramethyl-3a-aza-4a-azonia-4-borata-<i>s</i>-indacen-8-yl)benzonitrile","Acta Crystallographica Section E","2011","67","4","o908","","10.1107/S1600536811009457","","","0.71073","MoKα","","0.0945","0.0649","","","0.1769","0.1948","","","","","","1.071","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229574","10.029","0.002","9.1941","0.0018","18.389","0.004","90","","100.51","0.03","90","","1667.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-5-Benzylidene-3-butyl-4-phenyl-1,3-oxazolidin-2-one","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","BG2393","Zhao, Jin-Wu; Xu, Jing-Xiu","(<i>Z</i>)-5-Benzylidene-3-butyl-4-phenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2011","67","4","o882","","10.1107/S1600536811008762","","","0.71073","MoKα","","0.0777","0.0418","","","0.0916","0.1169","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229575","10.6558","0.0007","10.3017","0.0006","6.3119","0.0003","90","","91.251","0.005","90","","692.71","0.07","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-4-(2-Chloropropan-2-yl)-1-(2,2,2-trichloroethyl)cyclohexene","","- C11 H16 Cl4 -","- C11 H16 Cl4 -","- C22 H32 Cl8 -","2","1","BG2395","Boualy, Brahim; Harrad, Mohamed Anoir; Firdoussi, Larbi El; Ali, Mustapha Ait; Rizzoli, Corrado","(<i>S</i>)-4-(2-Chloropropan-2-yl)-1-(2,2,2-trichloroethyl)cyclohexene","Acta Crystallographica Section E","2011","67","4","o960","","10.1107/S1600536811010257","","","1.54178","CuKα","","0.0458","0.0398","","","0.1198","0.1293","","","","","","1.156","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229576","14.3135","0.0002","9.2829","0.0002","11.3433","0.0002","90","","107.566","0.001","90","","1436.91","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-3-cyclohexylsulfonyl-2-methyl-1-benzofuran","","- C15 H17 Cl O3 S -","- C15 H17 Cl O3 S -","- C60 H68 Cl4 O12 S4 -","4","1","BH2340","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Chloro-3-cyclohexylsulfonyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o828","","10.1107/S1600536811008270","","","0.71073","MoKα","","0.0394","0.0341","","","0.0894","0.093","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229577","5.8213","0.0011","7.7638","0.0018","17.8532","0.0015","80.973","0.002","88.977","0.003","75.033","0.002","769.6","0.2","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 4-acetyl-5-oxo-3-phenylhexanoate","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","BH2342","Wang, Hongwei; Hu, Yimin","Ethyl 4-acetyl-5-oxo-3-phenylhexanoate","Acta Crystallographica Section E","2011","67","4","o919","","10.1107/S160053681100955X","","","0.71073","MoKα","","0.0861","0.0495","","","0.0904","0.0993","","","","","","1.067","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229578","22.583","0.0005","8.4374","0.0002","18.963","0.0005","90","","101.544","0.002","90","","3540.15","0.15","122","2","122","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[1,2-Bis(diisopropylphosphanyl)ethane- κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)‒9<i>H</i>-carbazole (1/2)","","- C38 H50 Cl2 N2 Ni P2 -","- C38 H50 Cl2 N2 Ni P2 -","- C152 H200 Cl8 N8 Ni4 P8 -","4","0.5","BH2344","Cañavera-Buelvas, Farah; Flores-Alamo, Marcos; García, Juventino J.","[1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)‒9<i>H</i>-carbazole (1/2)","Acta Crystallographica Section E","2011","67","4","m501","","10.1107/S1600536811010555","","","0.71073","MoKα","","0.0342","0.0264","","","0.0631","0.0645","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229579","8.457","0.0017","5.414","0.0011","12.125","0.002","90","","92.28","0.03","90","","554.72","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 1-(2,6-difluorobenzyl)-1<i>H</i>-1,2,3-triazole-4-carboxylate","","- C11 H9 F2 N3 O2 -","- C11 H9 F2 N3 O2 -","- C22 H18 F4 N6 O4 -","2","1","BQ2275","Dong, Su-Lan; Cheng, Xiao-Chun","Methyl 1-(2,6-difluorobenzyl)-1<i>H</i>-1,2,3-triazole-4-carboxylate","Acta Crystallographica Section E","2011","67","4","o769","","10.1107/S1600536811006684","","","0.71073","MoKα","","0.0371","0.032","","","0.084","0.0882","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229580","6.993","0.0014","24.986","0.005","7.514","0.0015","90","","115.79","0.03","90","","1182.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Chlorophenoxy)benzoic acid","","- C13 H9 Cl O3 -","- C13 H9 Cl O3 -","- C52 H36 Cl4 O12 -","4","1","BQ2280","Shi, Lu; Zhang, Qin; Xiao, Qi; Wu, Tao; Zhu, Hong-Jun","2-(2-Chlorophenoxy)benzoic acid","Acta Crystallographica Section E","2011","67","4","o748","","10.1107/S1600536811006301","","","0.71073","MoKα","","0.1273","0.053","","","0.0944","0.11","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229581","18.3644","0.0008","13.1902","0.0008","10.8854","0.0006","90","","120.03","0.004","90","","2282.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridocobalt(II) trihydrate","","- C20 H22 Cl2 Co N4 O3 -","- C20 H22.006 Cl2 Co N4 O3.003 -","- C80 H88.024 Cl8 Co4 N16 O12.012 -","4","0.5","BQ2282","Arun Kumar, K.; Amuthaselvi, M.; Dayalan, A.","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridocobalt(II) trihydrate","Acta Crystallographica Section E","2011","67","4","m468","","10.1107/S1600536811009251","","","0.71073","MoKα","","0.0605","0.0453","","","0.126","0.1432","","","","","","1.186","","","","has coordinates,has disorder,has Fobs","189124","2020-10-21","18:00:00",""
"2229582","11.899","0.002","5.564","0.001","16.333","0.003","90","","96.56","0.02","90","","1074.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>'-Bis(2-chlorophenylsulfonyl)adipamide","<i>N</i>,<i>N</i>'-Bis(2-chlorophenylsulfonyl)heptanediamide","","- C18 H18 Cl2 N2 O6 S2 -","- C18 H18 Cl2 N2 O6 S2 -","- C36 H36 Cl4 N4 O12 S4 -","2","0.5","BQ2284","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(2-chlorophenylsulfonyl)adipamide","Acta Crystallographica Section E","2011","67","4","o837","","10.1107/S1600536811008464","","","0.71073","MoKα","","0.1677","0.089","","","0.1236","0.1429","","","","","","1.263","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229583","8.6934","0.0008","5.4716","0.0005","22.1","0.002","90","","101.006","0.001","90","","1031.89","0.16","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Isopropyl-5-methylcyclohexyl diphenylphosphonamidate","<i>N</i>-({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}(phenyl)phosphoryl)aniline","","- C22 H30 N O2 P -","- C22 H30 N O2 P -","- C44 H60 N2 O4 P2 -","2","1","BQ2285","Meng, Fan-Jie; Zhao, Chang-Qiu","2-Isopropyl-5-methylcyclohexyl diphenylphosphonamidate","Acta Crystallographica Section E","2011","67","4","o998","","10.1107/S1600536811010580","","","0.71073","MoKα","","0.0632","0.0447","","","0.0948","0.1044","","","","","","1.087","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229584","11.088","0.002","5.349","0.0007","12.344","0.002","90","","104.45","0.02","90","","709","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Methyl-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C28 H24 N4 O10 S2 -","2","1","BQ2287","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","2-Methyl-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o929","","10.1107/S1600536811009846","","","0.71073","MoKα","","0.0712","0.0581","","","0.1335","0.1458","","","","","","1.219","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229585","4.8698","0.0002","8.2761","0.0004","6.998","0.0003","90","","109.65","0.002","90","","265.62","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","indium iron lithium diphosphate","","- Fe0.49 In0.51 Li O7 P2 -","- Fe0.4862 In0.5138 Li O7 P2 -","- Fe0.9724 In1.0276 Li2 O14 P4 -","2","1","BR2162","Zouihri, Hafid; Saadi, Mohamed; Jaber, Boujemaa; El Ammari, Lehcen","A mixed indium‒iron lithium diphosphate, In~0.51~Fe~0.49~LiP~2~O~7~","Acta Crystallographica Section E","2011","67","4","i27","","10.1107/S1600536811009111","","","0.71073","MoKα","","0.0137","0.0134","","","0.0317","0.0318","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229586","8.9459","0.0001","20.4497","0.0003","12.8688","0.0002","90","","99.535","0.001","90","","2321.71","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis(propane-1,3-diaminium) [[aqua(sulfato-κ<i>O</i>)bis(sulfato-κ^2^<i>O</i>,<i>O</i>')cerate(IV)]- μ-sulfato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] dihydrate]","","- C6 H30 Ce N4 O19 S4 -","- C6 H30 Ce N4 O19 S4 -","- C24 H120 Ce4 N16 O76 S16 -","4","1","BT5471","Meer, Ali Farooq; Ahmad, Saeed; Sharif, Shahzad; Khan, Islam Ullah; Ng, Seik Weng","<i>catena</i>-Poly[bis(propane-1,3-diaminium) [[aqua(sulfato-κ<i>O</i>)bis(sulfato-κ^2^<i>O</i>,<i>O</i>')cerate(IV)]-μ-sulfato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] dihydrate]","Acta Crystallographica Section E","2011","67","4","m413","","10.1107/S1600536811008324","","","0.71073","MoKα","","0.0335","0.0276","","","0.0664","0.0707","","","","","","1.143","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229587","9.4944","0.0006","9.781","0.0007","24.4049","0.0009","84.111","0.004","88.765","0.004","63.245","0.007","2012.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[silver(I)-μ-1,4-bis[(imidazol-1-yl)methyl]benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^-silver(I)-μ-1,4-bis[(imidazol-1- yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] 4,4'-diazenediyldibenzoate] dihydrate]","","- C42 H40 Ag2 N10 O6 -","- C42 H40 Ag2 N10 O6 -","- C84 H80 Ag4 N20 O12 -","2","1","BT5474","Qiao, Qian; Tian, Mei; Liu, Da-Yong; Wang, Shu-Jiang","Poly[[[silver(I)-μ-1,4-bis[(imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^-silver(I)-μ-1,4-bis[(imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] 4,4'-diazenediyldibenzoate] dihydrate]","Acta Crystallographica Section E","2011","67","4","m473","","10.1107/S1600536811008816","","","0.71073","MoKα","","0.0709","0.0398","","","0.0943","0.1016","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229588","31.236","0.003","5.8911","0.0004","18.3762","0.0018","90","","107.118","0.001","90","","3231.7","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexane-1,6-diaminium bis[3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate]","","- C24 H24 Cl8 N2 O8 -","- C24 H24 Cl8 N2 O8 -","- C96 H96 Cl32 N8 O32 -","4","0.5","BT5475","Li, Jian","Hexane-1,6-diaminium bis[3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate]","Acta Crystallographica Section E","2011","67","4","o901","","10.1107/S1600536811008506","","","0.71073","MoKα","","0.094","0.0569","","","0.1266","0.1536","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229589","7.5","0.0002","17.0808","0.0004","16.523","0.003","90","","94.349","0.002","90","","2110.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Amino-2,4,6-triiodoisophthalic acid‒4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide‒water (1/1/1)","","- C18 H14 I3 N3 O7 -","- C18 H14 I3 N3 O7 -","- C72 H56 I12 N12 O28 -","4","1","BT5482","Zhang, Kou-Lin; Zhang, Jin-Bo; Ng, Seik Weng","5-Amino-2,4,6-triiodoisophthalic acid‒4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide‒water (1/1/1)","Acta Crystallographica Section E","2011","67","4","o793","","10.1107/S1600536811007276","","","0.71073","MoKα","","0.0355","0.0291","","","0.0631","0.0682","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229590","7.5112","0.0001","10.1731","0.0002","15.8697","0.0003","90","","103.675","0.001","90","","1178.26","0.04","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,3,5-Tetramethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","BT5483","Dardouri, Rachida; Rodi, Youssef Kandri; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","1,3,3,5-Tetramethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","4","o783","","10.1107/S1600536811007501","","","0.71073","MoKα","","0.0538","0.0388","","","0.0976","0.1081","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229591","14.408","0.001","5.815","0.0004","14.4503","0.001","90","","91.371","0.001","90","","1210.34","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methylamino-3-(2,4,6-trimethylphenyl)propan-2-ol","","- C13 H21 N O -","- C13 H21 N O -","- C52 H84 N4 O4 -","4","1","BT5484","Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Allahverdiyev, Mirze A.; Ng, Seik Weng","1-Methylamino-3-(2,4,6-trimethylphenyl)propan-2-ol","Acta Crystallographica Section E","2011","67","4","o784","","10.1107/S1600536811007513","","","0.71073","MoKα","","0.0452","0.0382","","","0.1041","0.1114","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229592","6.0011","0.0009","8.765","0.001","10.144","0.002","90.04","0.01","92.35","0.01","98.01","0.01","527.91","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis[(4-methylphenyl)sulfonyl]adipamide","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","1","0.5","BT5485","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis[(4-methylphenyl)sulfonyl]adipamide","Acta Crystallographica Section E","2011","67","4","o788","","10.1107/S1600536811007756","","","0.71073","MoKα","","0.0785","0.0566","","","0.1272","0.1411","","","","","","1.083","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229593","7.7827","0.0001","23.7595","0.0004","8.6315","0.0002","90","","105.614","0.001","90","","1537.18","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzoyl-1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-\ dione","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","BT5487","Dardouri, Rachida; Rodi, Youssef Kandri; Ladeira, Sonia; Essassi, El Mokhtar; Ng, Seik Weng","3-Benzoyl-1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","4","o849","","10.1107/S160053681100866X","","","0.71073","MoKα","","0.0812","0.0469","","","0.111","0.1277","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229594","20.485","0.009","12.0782","0.0016","21.108","0.009","90","","107.6","0.02","90","","4978","3","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,5-Bis{2,2-bis[4-(dimethylamino)phenyl]ethenyl}- <i>N</i>,<i>N</i>'-diphenyl-<i>N</i>,<i>N</i>'-dipropylbenzene-1,4-diamine","","- C60 H68 N6 -","- C60 H68 N6 -","- C240 H272 N24 -","4","0.5","BT5488","Schmitt, Volker; Schollmeyer, Dieter; Detert, Heiner","2,5-Bis{2,2-bis[4-(dimethylamino)phenyl]ethenyl}-<i>N</i>,<i>N</i>'-diphenyl-<i>N</i>,<i>N</i>'-dipropylbenzene-1,4-diamine","Acta Crystallographica Section E","2011","67","4","o876","","10.1107/S160053681100910X","","","1.54178","CuKα","","0.1013","0.0741","","","0.2158","0.232","","","","","","1.087","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229595","10.4559","0.0005","7.5484","0.0005","12.9408","0.0007","90","","105.863","0.002","90","","982.46","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Ethyl-2,3-dihydro-1,2-benzothiazole-1,1,3-trione","","- C9 H9 N O3 S -","- C9 H9 N O3 S -","- C36 H36 N4 O12 S4 -","4","1","BT5490","Khan, Muneeb Hayat; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Akkurt, Mehmet","2-Ethyl-2,3-dihydro-1,2-benzothiazole-1,1,3-trione","Acta Crystallographica Section E","2011","67","4","o887","","10.1107/S1600536811009184","","","0.71073","MoKα","","0.061","0.046","","","0.1319","0.1437","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","201978","2020-10-21","18:00:00",""
"2229596","11.713","0.002","5.0681","0.0007","12.476","0.002","90","","104.45","0.01","90","","717.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-Chloro-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C26 H18 Cl2 N4 O10 S2 -","2","1","BT5491","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o904","","10.1107/S160053681100969X","","","0.71073","MoKα","","0.0338","0.0293","","","0.069","0.0713","","","","","","0.974","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229597","7.8272","0.0004","8.6242","0.0004","23.705","0.001","84.89","0.003","89.52","0.004","63.07","0.003","1420.05","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)cadmium]-di-μ~2~- thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C12 H10 Cd N4 S2 -","- C12 H10 Cd N4 S2 -","- C48 H40 Cd4 N16 S8 -","4","2","BT5493","Boeckmann, Jan; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)cadmium]-di-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2011","67","4","m481","","10.1107/S1600536811009871","","","0.71073","MoKα","","0.078","0.0524","","","0.0774","0.083","","","","","","1.171","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229598","11.097","0.002","5.3063","0.0007","12.319","0.002","90","","104.24","0.02","90","","703.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-Chloro-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C26 H18 Cl2 N4 O10 S2 -","2","1","BT5494","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","2-Chloro-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o930","","10.1107/S1600536811009913","","","0.71073","MoKα","","0.0363","0.033","","","0.0849","0.0872","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229599","9.792","0.001","6.802","0.001","10.879","0.001","90","","94.26","0.01","90","","722.6","0.15","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","2,5-Dichloroanilinium 4-chlorobenzenesulfonate","","- C12 H10 Cl3 N O3 S -","- C12 H10 Cl3 N O3 S -","- C24 H20 Cl6 N2 O6 S2 -","2","0.5","BT5496","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","2,5-Dichloroanilinium 4-chlorobenzenesulfonate","Acta Crystallographica Section E","2011","67","4","o967","","10.1107/S1600536811010518","","","0.71073","MoKα","","0.0415","0.0368","","","0.1032","0.1071","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229600","6.427","0.0004","11.1706","0.0006","11.3672","0.0007","79.963","0.005","74.894","0.005","81.877","0.005","771.88","0.08","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","5-Methyl-3-(3-methylphenyl)-7-phenyl-1,2,4-triazolo[4,3-<i>c</i>]pyrimidine","","- C19 H16 N4 -","- C19 H16 N4 -","- C38 H32 N8 -","2","1","BT5497","Preis, Jasmin; Schollmeyer, Dieter; Detert, Heiner","5-Methyl-3-(3-methylphenyl)-7-phenyl-1,2,4-triazolo[4,3-<i>c</i>]pyrimidine","Acta Crystallographica Section E","2011","67","4","o987","","10.1107/S1600536811010683","","","1.54178","CuKα","","0.0479","0.0416","","","0.1133","0.1187","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229601","18.726","0.0004","10.843","0.0002","19.649","0.0005","90","","114.628","0.001","90","","3626.72","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Bis{1,1-dibenzyl-3-[(furan-2-yl)carbonyl]thioureato- κ^2^<i>O</i>,<i>S</i>}nickel(II)","","- C40 H34 N4 Ni O4 S2 -","- C40 H34 N4 Ni O4 S2 -","- C160 H136 N16 Ni4 O16 S8 -","4","1","BT5498","Pérez, Hiram; da Silva, Cecilia C. P.; Plutín, Ana M.; de Simone, Carlos A.; Ellena, Javier","<i>cis</i>-Bis{1,1-dibenzyl-3-[(furan-2-yl)carbonyl]thioureato-κ^2^<i>O</i>,<i>S</i>}nickel(II)","Acta Crystallographica Section E","2011","67","4","m504","","10.1107/S1600536811010749","","","0.71073","MoKα","","0.0526","0.0394","","","","0.1063","","","","","","1.086","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229602","9.0037","0.0002","11.5733","0.0003","18.0167","0.0004","90","","103.056","0.002","90","","1828.85","0.08","119.9","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-Bis[(1<i>H</i>-benzotriazol-1-yl)methyl]-2,3-dihydro-1<i>H</i>-benzimidazole","","- C21 H18 N8 -","- C21 H18 N8 -","- C84 H72 N32 -","4","1","BT5499","Rivera, Augusto; Maldonado, Mauricio; Casas, José Luis; Dušek, Michal; Fejfarová, Karla","1,3-Bis[(1<i>H</i>-benzotriazol-1-yl)methyl]-2,3-dihydro-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2011","67","4","o990","","10.1107/S1600536811010701","","","1.5418","CuKα","","0.0423","0.032","","","0.0848","0.0911","","","","","","1.45","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229603","11.799","0.002","17.284","0.003","17.492","0.004","90","","98.26","0.03","90","","3530.2","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-amino-6-(naphthalen-1-yl)-4-phenylnicotinonitrile","2-Amino-6-(naphthalen-1-yl)-4-phenylpyridine-3-carbonitrile","","- C22 H15 N3 -","- C22 H15 N3 -","- C176 H120 N24 -","8","1","BV2172","Mao, Wei; Guo, Cheng; Wang, Wei; Luan, Chang-jun; Du, Ren-jun","2-Amino-6-(naphthalen-1-yl)-4-phenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2011","67","4","o853","","10.1107/S1600536811002765","","","0.71073","MoKα","","0.1534","0.0659","","","0.1307","0.1795","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229604","12.6016","0.0003","6.3375","0.0001","20.6637","0.0004","90","","97.89","0.002","90","","1634.64","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-6-(4-methoxyphenyl)-4-phenyl-1,3-diazinane-2-thione","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C68 H72 N8 O8 S4 -","4","1","BV2177","Devarajegowda, H. C.; Roopashree, K. R.; Mohammed, Irfan Ali; Mahalakshmi; Sankolli, Ravish","4-Hydroxy-6-(4-methoxyphenyl)-4-phenyl-1,3-diazinane-2-thione","Acta Crystallographica Section E","2011","67","4","o815","","10.1107/S1600536811008002","","","0.71073","MoKα","","0.0693","0.0445","","","0.103","0.115","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229605","7.3109","0.0015","14.112","0.003","20.93","0.004","90","","98.13","0.03","90","","2137.7","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-aminopyridinium) 5,5'-disulfanediylbis(1,3,4-thiadiazole-2-thiolate) monohydrate","","- C14 H16 N8 O S6 -","- C14 H16 N8 O S6 -","- C56 H64 N32 O4 S24 -","4","1","CV5028","Zhao, Pusu; Guo, Zhiyan; Xiao, Hailian","Bis(2-aminopyridinium) 5,5'-disulfanediylbis(1,3,4-thiadiazole-2-thiolate) monohydrate","Acta Crystallographica Section E","2011","67","4","o836","","10.1107/S1600536811008336","","","0.71073","MoKα","","0.0781","0.0477","","","0.0774","0.0864","","","","","","1.174","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229606","20.21","0.002","8.8161","0.0005","16.3862","0.0013","90","","99.537","0.001","90","","2879.2","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C128 H112 N16 O16 -","8","1","CV5040","Wang, Xiaoli","2-Amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section E","2011","67","4","o832","","10.1107/S1600536811008130","","","0.71073","MoKα","","0.1229","0.0453","","","0.0919","0.1136","","","","","","0.807","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229607","14.0748","0.0005","13.7362","0.0005","16.98","0.0008","90","","101.487","0.005","90","","3217.1","0.2","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-(2-Anthracen-2-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one","","- C23 H16 O2 -","- C23 H16 O2 -","- C184 H128 O16 -","8","2","CV5048","Jasinski, Jerry P.; Butcher, Ray J.; Musthafa Khaleel, V.; Sarojini, B. K.; Yathirajan, H. S.","(2<i>E</i>)-3-(2-Anthracen-2-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o795","","10.1107/S1600536811007598","","","1.54184","CuKα","","0.0542","0.0455","","","0.1285","0.1338","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229608","9.1387","0.0008","15.2715","0.0011","9.6238","0.0009","90","","105.75","0.009","90","","1292.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-Dimethyl 2-(1<i>H</i>-pyrrole-2-carboxamido)butanedioate","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C44 H56 N8 O20 -","4","1","CV5056","Zheng, Le; Hu, Fang; Zeng, Xiang Chao; Li, Kai Ping","<i>rac</i>-Dimethyl 2-(1<i>H</i>-pyrrole-2-carboxamido)butanedioate","Acta Crystallographica Section E","2011","67","4","o752","","10.1107/S1600536811007148","","","0.71073","MoKα","","0.1026","0.0593","","","0.1366","0.163","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229609","7.4496","0.0015","12.195","0.002","13.085","0.003","88.39","0.03","78.53","0.03","86.99","0.03","1163.2","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","2'-carboxymethoxy-4,4'-bis(3-methylbut-2-enyloxy)chalcone sofalcone","2-{5-[(3-methylbut-2-en-1-yl)oxy]-2-(3-{4-[(3-methylbut-2-en-1- yl)oxy]phenyl}prop-2-enoyl)phenoxy}acetic acid","","- C27 H30 O6 -","- C27 H30 O6 -","- C54 H60 O12 -","2","1","CV5057","Liang, Yan-Shu; Mu, Shuai; Wang, Jing-Yang; Liu, Deng-Ke","2'-Carboxymethoxy-4,4'-bis(3-methylbut-2-enyloxy)chalcone","Acta Crystallographica Section E","2011","67","4","o830","","10.1107/S1600536811008300","","","0.71073","MoKα","","0.0698","0.0476","","","0.1067","0.1155","","","","","","0.923","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229610","11.4892","0.0013","5.8872","0.0006","16.3531","0.0017","90","","94.696","0.001","90","","1102.4","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Isopropyl-5-methylcyclohexyl cyclohexyl(phenyl)phosphinate","","- C22 H35 O2 P -","- C22 H35 O2 P -","- C44 H70 O4 P2 -","2","1","CV5058","Xu, Hao; Liu, Li-Juan; Meng, Fan-Jie; Zhao, Chang-Qiu","2-Isopropyl-5-methylcyclohexyl cyclohexyl(phenyl)phosphinate","Acta Crystallographica Section E","2011","67","4","o991","","10.1107/S1600536811010592","","","0.71073","MoKα","","0.0941","0.0528","","","0.106","0.1192","","","","","","0.92","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229611","7.0263","0.0009","9.9443","0.0013","10.6462","0.0014","90","","93.975","0.002","90","","742.08","0.17","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(2,4-Dichlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2- dioxaphosphinane 2-oxide","","- C12 H15 Cl2 O4 P -","- C12 H15 Cl2 O4 P -","- C24 H30 Cl4 O8 P2 -","2","1","CV5059","Wang, Chubei; Peng, Hao; Tan, Xiaosong; He, Hongwu","(<i>S</i>)-2-[(2,4-Dichlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","Acta Crystallographica Section E","2011","67","4","o920","","10.1107/S1600536811009585","","","0.71073","MoKα","","0.044","0.0424","","","0.1036","0.105","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229612","7.89","0.005","10.03","0.006","13.628","0.008","81.857","0.005","84.777","0.006","85.286","0.005","1060.5","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[<i>N</i>'-(3,5-Diiodo-2-oxidobenzylidene-κ<i>O</i>)-4-methylbenzohydrazidato- κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)(methanolato- κ<i>O</i>)oxidovanadium(V)","","- C17 H17 I2 N2 O5 V -","- C17 H17 I2 N2 O5 V -","- C34 H34 I4 N4 O10 V2 -","2","1","CV5063","Liu, Lin","[<i>N</i>'-(3,5-Diiodo-2-oxidobenzylidene-κ<i>O</i>)-4-methylbenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxidovanadium(V)","Acta Crystallographica Section E","2011","67","4","m482","","10.1107/S1600536811010385","","","0.71073","MoKα","","0.0611","0.0407","","","0.0809","0.0899","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229613","9.917","0.002","8.7409","0.0017","22.499","0.006","90","","107.43","0.03","90","","1860.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~3~-2,4,6-tri-4-pyridyl-1,3,5-triazine)copper(I)] nitrate monohydrate]","","- C18 H14 Cu N7 O4 -","- C18 H14 Cu N7 O4 -","- C72 H56 Cu4 N28 O16 -","4","1","CV5064","Feng, Miao; Tian, Hui-Juan; Mi, Huai-Feng; Hu, Tong-Liang","Poly[[(μ~3~-2,4,6-tri-4-pyridyl-1,3,5-triazine)copper(I)] nitrate monohydrate]","Acta Crystallographica Section E","2011","67","4","m515","","10.1107/S1600536811011445","","","0.71073","MoKα","","0.1288","0.0695","","","0.1095","0.1251","","","","","","1.091","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229614","7.5901","0.0018","8.2688","0.0019","10.547","0.003","86.168","0.005","86.892","0.004","81.545","0.004","652.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Methyl 3-(3-benzoylthioureido)propanoate","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C24 H28 N4 O6 S2 -","2","1","DN2657","Hassan, Ibrahim N.; Yi, Chong Yan; Kassim, Mohammad B.","Methyl 3-(3-benzoylthioureido)propanoate","Acta Crystallographica Section E","2011","67","4","o780","","10.1107/S160053681100568X","","","0.71073","MoKα","","0.0718","0.0567","","","0.1334","0.1411","","","","","","1.122","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229615","8.7153","0.0016","9.1978","0.0017","19.759","0.004","90","","90","","90","","1583.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dibromido[(1<i>R</i>,2<i>R</i>,<i>N</i>^1^<i>S</i>)-<i>N</i>-(pyridin-2- ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium","","- C12 H19 Br2 Cd N3 -","- C12 H19 Br2 Cd N3 -","- C48 H76 Br8 Cd4 N12 -","4","1","DN2658","Yin, Run-Ting; Cao, Zhe; Cheng, Lin","Dibromido[(1<i>R</i>,2<i>R</i>,<i>N</i>^1^<i>S</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium","Acta Crystallographica Section E","2011","67","4","m392","","10.1107/S1600536811007033","","","0.71073","MoKα","","0.0565","0.0333","","","0.0466","0.0519","","","","","","0.964","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229616","7.7522","0.0011","15.413","0.002","12.2848","0.0017","90","","106.194","0.002","90","","1409.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-difluorophenyl)penta-1,4-dien-3-on","","- C17 H10 F4 O -","- C17 H10 F4 O -","- C68 H40 F16 O4 -","4","1","DN2659","Huang, Jun-Da; Tang, Qin-Qin; Chen, Xiao-Yan; Ye, Yun; Wang, Yi","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-difluorophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2011","67","4","o758","","10.1107/S1600536811007070","","","0.71073","MoKα","","0.0915","0.0632","","","0.1561","0.1736","","","","","","0.944","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229617","8.9527","0.0005","9.5121","0.0005","20.897","0.001","90","","94.543","0.001","90","","1773.98","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-[2-(2,6-dichloro-4-nitroanilino)-3,5-dinitrophenyl]acetate","","- C15 H10 Cl2 N4 O8 -","- C15 H10 Cl2 N4 O8 -","- C60 H40 Cl8 N16 O32 -","4","1","DN2660","Tariq, Muhammad Ilyas; Jameel, Muhammad; Tahir, M. Nawaz; Ali, Toqir; Rizwan, Muhammad","Methyl 2-[2-(2,6-dichloro-4-nitroanilino)-3,5-dinitrophenyl]acetate","Acta Crystallographica Section E","2011","67","4","o791","o792","10.1107/S1600536811007720","","","0.71073","MoKα","","0.044","0.0337","","","0.0818","0.0872","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229618","10.2767","0.0011","10.5935","0.0014","15.5998","0.0016","90","","107.114","0.001","90","","1623.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-glutarato-κ^4^<i>O</i>^1^:<i>O</i>^5^-bis[aqua(1,10-phenanthroline-\ κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C34 H32 Cu2 N4 O10 -","- C34 H32 Cu2 N4 O10 -","- C68 H64 Cu4 N8 O20 -","2","0.5","DN2661","Zhou, Yong-Hong","Di-μ-glutarato-κ^4^<i>O</i>^1^:<i>O</i>^5^-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]","Acta Crystallographica Section E","2011","67","4","m411","","10.1107/S1600536811007938","","","0.71073","MoKα","","0.0457","0.0305","","","0.0719","0.0827","","","","","","1.069","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229619","41.122","0.006","5.8358","0.001","15.988","0.003","90","","93.922","0.006","90","","3827.8","1.1","93","0.5","93","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-6-bromo-2-phenyl- 3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C22 H17 Br N6 -","- C22 H17 Br N6 -","- C176 H136 Br8 N48 -","8","2","DN2663","Ouzidan, Younes; Kandri Rodi, Youssef; Fronczek, Frank R.; Venkatraman, Ramaiyer; Essassi, El Mokhtar; El Ammari, Lahcen","3-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2011","67","4","o890","o891","10.1107/S1600536811009123","","","0.71073","MoKα","","0.1264","0.0484","","","0.0857","0.109","","","","","","0.96","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229620","4.9987","0.0002","13.42","0.0005","21.5876","0.0008","90","","90","","90","","1448.15","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-{[2-(2-Furylcarbonyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","DN2664","Xu, Jun; Yue, Xiao-yu","(<i>E</i>)-4-{[2-(2-Furylcarbonyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate","Acta Crystallographica Section E","2011","67","4","o880","","10.1107/S1600536811008932","","","0.71073","MoKα","","0.0475","0.0366","","","0.0965","0.1049","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229621","8.2448","0.0004","11.1558","0.0007","12.2569","0.0007","64.571","0.002","78.126","0.001","80.738","0.002","992.98","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4,12,18,26-pentahydroxy-13,17- dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa- 1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione monohydrate","","- C24 H16 O10 -","- C24 H16 O10 -","- C48 H32 O20 -","2","1","DN2665","Mahmood, Khalid; Yaqub, Muhammad; Tahir, M. Nawaz; Shafiq, Zahid; Qureshi, Ashfaq Mahmood","(±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione monohydrate","Acta Crystallographica Section E","2011","67","4","o910","o911","10.1107/S1600536811009573","","","0.71073","MoKα","","0.0592","0.0406","","","0.0953","0.106","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229622","10.975","0.002","12.255","0.003","17.741","0.004","90","","90","","90","","2386.1","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-[1-(2,6-Dichloro-3,4,5-trimethoxybenzoyl)pyrrolidin-2-yl]-\ 4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazole-1-oxyl 3-oxide","","- C21 H28 Cl2 N3 O6 -","- C21 H28 Cl2 N3 O6 -","- C84 H112 Cl8 N12 O24 -","4","1","DN2666","Wang, Hai-Bo; Xiang, Zhuo; Jing, Lin-Lin; Tian, Min; Sun, Xiao-Li","(<i>R</i>)-2-[1-(2,6-Dichloro-3,4,5-trimethoxybenzoyl)pyrrolidin-2-yl]-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazole-1-oxyl 3-oxide","Acta Crystallographica Section E","2011","67","4","o985","o986","10.1107/S1600536811010270","","","0.71073","MoKα","","0.1218","0.0533","","","0.103","0.1305","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229623","6.9094","0.0013","6.9184","0.0013","11.936","0.002","91.271","0.005","99.677","0.004","102.55","0.004","547.98","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","6,6'-Diethoxy-2,2'-[hexane-1,6-diylbis(nitrilomethanylylidene)]diphenol <i>N</i>,<i>N</i>'-Bis(3-ethoxy-2-hydroxybenzylidene)hexane-1,6-diamine","2-ethoxy-6-{[(6-{[(3-ethoxy-2- hydroxyphenyl)methylidene]amino}hexyl)imino]methyl}phenol","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","1","0.5","DS2098","Ha, Kwang","6,6'-Diethoxy-2,2'-[hexane-1,6-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2011","67","4","o918","","10.1107/S1600536811009445","","","0.71073","MoKα","","0.1118","0.0615","","","0.1331","0.1677","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229624","8.3412","0.0008","9.6501","0.0009","9.5485","0.0009","90","","91.319","0.009","90","","768.39","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-Bis(3-chlorophenyl)succinamide","<i>N</i>,<i>N</i>'-Bis(3-chlorophenyl)butanediamide","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","DS2100","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(3-chlorophenyl)succinamide","Acta Crystallographica Section E","2011","67","4","o966","","10.1107/S1600536811010440","","","0.71073","MoKα","","0.0473","0.0371","","","0.0989","0.1054","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229625","9.378","0.002","13.478","0.003","10.251","0.002","90","","90.48","","90","","1295.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(3-chlorophenyl)benzenesulfonamide","","- C12 H9 Cl2 N O2 S -","- C12 H9 Cl2 N O2 S -","- C48 H36 Cl8 N4 O8 S4 -","4","1","DS2101","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(3-chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o1017","","10.1107/S1600536811011366","","","0.71073","MoKα","","0.0679","0.0469","","","0.1115","0.1294","","","","","","1.083","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229626","12.681","0.003","10.481","0.002","19.947","0.004","90","","103.312","0.003","90","","2579.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-5-methoxy-4-(4-methylpiperidin-1-yl)furan-2(5<i>H</i>)-one","","- C11 H16 Br N O3 -","- C11 H16 Br N O3 -","- C88 H128 Br8 N8 O24 -","8","2","EZ2228","Wei, Xin-Ping; Fu, Jian-Hua; Tan, Yue-He; Wang, Zhao-Yang","3-Bromo-5-methoxy-4-(4-methylpiperidin-1-yl)furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","4","o862","","10.1107/S1600536811008804","","","0.71073","MoKα","","0.1611","0.0492","","","0.0858","0.1091","","","","","","1.076","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229627","13.8406","0.0012","16.5192","0.0008","19.4719","0.0013","90","","90","","90","","4452","0.5","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(2<i>E</i>)-3-{4-[(1<i>H</i>-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}- 1-(4-bromophenyl)prop-2-en-1-one monohydrate","","- C25 H23 Br N2 O4 -","- C25 H23 Br N2 O4 -","- C200 H184 Br8 N16 O32 -","8","1","EZ2232","Jasinski, Jerry P.; Miller, William M.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-3-{4-[(1<i>H</i>-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate","Acta Crystallographica Section E","2011","67","4","o834","o835","10.1107/S1600536811008154","","","0.71073","MoKα","","0.1269","0.0578","","","0.1463","0.1598","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229628","8.459","0.002","10.705","0.003","11.058","0.003","99.555","0.009","101.344","0.008","112.98","0.008","870.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>,<i>N</i>'-bis(2-pyridyl)oxamide","<i>N</i>,<i>N</i>'-bis(pyridin-2-yl)ethanediamide","","- C12 H10 N4 O2 -","- C12 H10 N4 O2 -","- C36 H30 N12 O6 -","3","1.5","EZ2234","Zhang, Wan-Ju; Wang, Fang; Zhang, Gui-Ling; Xiao, Xin","A triclinic polymorph with <i>Z</i> = 3 of <i>N</i>,<i>N</i>'-bis(2-pyridyl)oxamide","Acta Crystallographica Section E","2011","67","4","o972","o973","10.1107/S1600536811010294","","","0.71073","MoKα","","0.0506","0.0444","","","0.1182","0.125","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229629","5.7868","0.0002","8.9166","0.0003","11.4716","0.0003","102.473","0.003","93.481","0.002","102.78","0.003","559.96","0.03","100","2","100","2","","","","","","","","3","P 1","P 1","1","","4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-D-glucopyranoside","","- C21 H24 O11 -","- C21 H24 O11 -","- C21 H24 O11 -","1","1","EZ2235","Heidelberg, Thorsten; Hussen, Rusnah Syahila Duali; Rodzi, Nasrul Zamani Mohd; Ng, Seik Weng; Tiekink, Edward R. T.","4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2011","67","4","o825","","10.1107/S1600536811008099","","","1.54184","CuKα","","0.041","0.041","","","0.115","0.115","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229630","11.8358","0.0004","5.6664","0.0002","17.5079","0.0006","90","","109.616","0.004","90","","1106.05","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-D-galactopyranoside","","- C21 H24 O11 -","- C21 H24 O11 -","- C42 H48 O22 -","2","1","EZ2236","Hussen, Rusnah Syahila Duali; Heidelberg, Thorsten; Rodzi, Nasrul Zamani Mohd; Ng, Seik Weng; Tiekink, Edward R. T.","4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranoside","Acta Crystallographica Section E","2011","67","4","o826","","10.1107/S1600536811008257","","","0.71073","MoKα","","0.04","0.035","","","0.083","0.086","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229631","9.699","0.0005","16.7622","0.001","10.6011","0.0005","90","","118.854","0.004","90","","1509.52","0.15","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Diethyl-1,3-diphenylurea","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","EZ2237","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","1,3-Diethyl-1,3-diphenylurea","Acta Crystallographica Section E","2011","67","4","o827","","10.1107/S1600536811008294","","","0.71073","MoKα","","0.0628","0.0488","","","0.1316","0.1413","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229632","14.2968","0.0017","8.2407","0.001","16.2671","0.0017","90","","90","","90","","1916.5","0.4","116","2","116","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-{[(Biphenyl-2-yl)diazenyl]methylidene}-1,3,3-trimethylindoline","","- C24 H23 N3 -","- C24 H23 N3 -","- C96 H92 N12 -","4","1","EZ2238","Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.","2-{[(Biphenyl-2-yl)diazenyl]methylidene}-1,3,3-trimethylindoline","Acta Crystallographica Section E","2011","67","4","o893","","10.1107/S1600536811008890","","","0.71073","MoKα","","0.0379","0.0374","","","0.0855","0.0858","","","","","","1.228","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229633","16.2065","0.0003","8.4993","0.0002","15.4031","0.0003","90","","110.411","0.001","90","","1988.47","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Cyclohexyl-2-(4-fluorophenyl)-3-isopropylsulfonyl-1-benzofuran","","- C23 H25 F O3 S -","- C23 H25 F O3 S -","- C92 H100 F4 O12 S4 -","4","1","EZ2240","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-2-(4-fluorophenyl)-3-isopropylsulfonyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o1001","","10.1107/S160053681101097X","","","0.71073","MoKα","","0.0488","0.041","","","0.1105","0.1179","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229634","21.795","0.004","10.077","0.002","29.967","0.006","90","","110.67","0.03","90","","6158","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Mo2(C13H9N2Br2)4","Tetrakis[<i>μ</i>-<i>N</i>,<i>N</i>'-bis(4-bromophenyl) formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) tetrahydrofuran solvate","","- C56 H44 Br8 Mo2 N8 O -","- C52 H36 Br8 Mo2 N8 -","- C208 H144 Br32 Mo8 N32 -","4","0.5","FF2002","Han, L.-J.","Tetrakis[<i>{μ</i>}-<i>N</i>,<i>N</i>'-bis(4-bromophenyl)formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) tetrahydrofuran solvate","Acta Crystallographica Section E","2011","67","4","m514","","10.1107/S1600536811011202","","","0.71073","MoKα","","0.0975","0.0553","","","0.1191","0.1513","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229635","9.8901","0.0015","10.242","0.0016","13.665","0.002","89.304","0.002","74.672","0.002","71.677","0.002","1263.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(3-Carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 4-carboxybenzoate‒benzene-1,4-dicarboxylic acid (2/1)","","- C56 H54 F2 N6 O18 -","- C56 H54 F2 N6 O18 -","- C56 H54 F2 N6 O18 -","1","0.5","FF2003","Yan, Shi-Wei; Chen, Hai-Yan; Zhang, Guang-Ju; Liao, Qin; Liang, Yan-Chen","4-(3-Carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 4-carboxybenzoate‒benzene-1,4-dicarboxylic acid (2/1)","Acta Crystallographica Section E","2011","67","4","o909","","10.1107/S1600536811009524","","","0.71073","MoKα","","0.0545","0.0419","","","0.1255","0.1369","","","","","","1.004","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2229636","8.8336","0.0016","11.103","0.002","12.445","0.002","83.01","0.002","76.737","0.002","73.831","0.002","1138.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3- <i>d</i>]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate","","- C38 H56 N10 O22 -","- C38 H56 N10 O22 -","- C38 H56 N10 O22 -","1","0.5","FF2005","Zhang, Guang-Ju; He, Jiang-Hong; Yan, Shi-Wei; Ye, Zhong-Li; Xin, Guang-Hua","Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-<i>d</i>]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate","Acta Crystallographica Section E","2011","67","4","o1011","o1012","10.1107/S1600536811011068","","","0.71073","MoKα","","0.0682","0.0458","","","0.1404","0.1599","","","","","","1.013","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2229637","7.1103","0.0007","9.5825","0.001","9.9866","0.0009","109.645","0.005","94.734","0.005","104.06","0.005","611.5","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","8-iodo-5,7-dimethoxy-4-methylcoumarin","8-Iodo-5,7-dimethoxy-4-methyl-2<i>H</i>-chromen-2-one","","- C12 H11 I O4 -","- C12 H11 I O4 -","- C24 H22 I2 O8 -","2","1","FJ2395","Pereira Silva, P. S.; Parveen, Mehtab; Ali, Akhtar; Ramos Silva, M.","8-Iodo-5,7-dimethoxy-4-methyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","4","o776","","10.1107/S1600536811007549","","","0.71073","MoKα","","0.0265","0.021","","","0.0653","0.0904","","","","","","1.281","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229638","25.629","0.002","4.9211","0.0004","11.2217","0.0009","90","","106.251","0.001","90","","1358.76","0.19","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,4,5-Trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C56 H48 O40 -","8","1","FJ2397","Hirun, Namon; Saithong, Saowanit; Pakawatchai, Chaveng; Tantishaiyakul, Vimon","3,4,5-Trihydroxybenzoic acid","Acta Crystallographica Section E","2011","67","4","o787","","10.1107/S1600536811007471","","","0.71073","MoKα","","0.0335","0.0318","","","0.089","0.0908","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229639","17.822","0.002","9.0616","0.0011","21.473","0.003","90","","90","","90","","3467.8","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>- imidazol-2-yl]palladium(II) methanol disolvate","","- C38 H40 N6 O4 Pd -","- C38 H40 N6 O4 Pd -","- C152 H160 N24 O16 Pd4 -","4","0.5","FJ2398","Lee, Hon Man; Chang, Yu-Chuan","<i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>-imidazol-2-yl]palladium(II) methanol disolvate","Acta Crystallographica Section E","2011","67","4","m467","","10.1107/S1600536811007768","","","0.71073","MoKα","","0.0731","0.0322","","","0.0706","0.0842","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229640","7.5903","0.0003","8.8816","0.0004","10.5343","0.0005","90","","96.137","0.003","90","","706.09","0.05","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Aquabromidobis(dimethylglyoximato)cobalt(III)","","- C8 H16 Br Co N4 O5 -","- C8 H16 Br Co N4 O5 -","- C16 H32 Br2 Co2 N8 O10 -","2","0.5","FJ2399","Meera, Parthasarathy; Amutha Selvi, Madhavan; Jothi, Pachaimuthu; Dayalan, Arunachalam","Aquabromidobis(dimethylglyoximato)cobalt(III)","Acta Crystallographica Section E","2011","67","4","m442","m443","10.1107/S1600536811008877","","","0.71073","MoKα","","0.0402","0.0338","","","0.0907","0.0955","","","","","","1.221","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229641","7.0242","0.0007","10.9849","0.0011","21.391","0.002","90","","91.56","0.002","90","","1649.9","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)silver(I) hexafluoridoantimonate","","- C10 H16 Ag F6 N4 Sb -","- C10 H16 Ag F6 N4 Sb -","- C40 H64 Ag4 F24 N16 Sb4 -","4","1","FJ2400","Crawford, Devyn; Hofer, Anthony K.; Edler, Kate L.; Ferrence, Gregory M.","Bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)silver(I) hexafluoridoantimonate","Acta Crystallographica Section E","2011","67","4","m496","","10.1107/S1600536811010567","","","0.71073","MoKα","","","0.0423","","","","0.1379","","","","","","1.196","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229642","11.6731","0.0008","6.4314","0.0004","12.1488","0.001","90","","111.592","0.009","90","","848.06","0.12","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-4a,9,10,10a-tetrahydro- phenanthren-2(1<i>H</i>)-one","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","FJ2405","Benharref, Ahmed; Lassaba, Essêdiya; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha","7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-4a,9,10,10a-tetrahydro-phenanthren-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","4","o906","","10.1107/S1600536811009561","","","0.71073","MoKα","","0.0583","0.0466","","","0.1168","0.1279","","","","","","1.032","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229643","17.103","0.0003","8.5544","0.0002","16.7062","0.0005","90","","90","","90","","2444.22","0.1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diazidobis(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')\ cobalt(II) monohydrate","","- C24 H25 Co N10 O -","- C24 H25 Co N10 O -","- C96 H100 Co4 N40 O4 -","4","0.5","FJ2407","Phatchimkun, Jaturong; Chaichit, Narongsak","Diazidobis(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II) monohydrate","Acta Crystallographica Section E","2011","67","4","m516","m517","10.1107/S1600536811011305","","","0.71073","MoKα","","0.0311","0.024","","","0.0638","0.0671","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229644","9.576","0.0008","11.3542","0.0011","15.7852","0.0013","90","","90","","90","","1716.3","0.3","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)- 3-phenylprop-2-en-1-one","","- C21 H26 O -","- C21 H26 O -","- C84 H104 O4 -","4","1","FJ2408","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean-Claude; Akssira, Mohamed; Elhakmaoui, Ahmed","1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o969","","10.1107/S1600536811010452","","","0.71073","MoKα","","0.0418","0.0373","","","0.0857","0.0892","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229645","13.209","0.002","4.8849","0.0009","18.036","0.003","90","","102.394","0.004","90","","1136.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(1-Methyl-1<i>H</i>-pyrrol-2-yl)-1-phenylprop-2-en-1-one","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","FL2335","Liu, Li; Li, Jian; Shao, Ying","(<i>E</i>)-3-(1-Methyl-1<i>H</i>-pyrrol-2-yl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o894","","10.1107/S1600536811009214","","","0.71073","MoKα","","0.0644","0.0432","","","0.1321","0.1534","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229646","8.6353","0.0014","12.1395","0.0015","9.5808","0.0014","90","","104.599","0.01","90","","971.9","0.2","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Dihydro-9<i>H</i>-carbazole-4(3<i>H</i>)-thione","","- C12 H11 N S -","- C12 H11 N S -","- C48 H44 N4 S4 -","4","1","FL2336","Phelan, W. Adam; Ngu-Schwemlein, Maria; Fronczek, Frank R.; McLaughlin, Mark L.; Watkins, Steven F.","1,2-Dihydro-9<i>H</i>-carbazole-4(3<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","4","o757","","10.1107/S1600536811006623","","","0.71073","MoKα","","","0.0329","","","","0.0866","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229647","5.4506","0.0002","16.8974","0.0005","19.9386","0.0006","90","","94.063","0.003","90","","1831.75","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenylazoaniline picrate","2-(4-Aminophenyl)-1-phenyldiazenium 2,4,6-trinitrophenolate","","- C18 H14 N6 O7 -","- C18 H14 N6 O7 -","- C72 H56 N24 O28 -","4","1","FL2338","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","2-(4-Aminophenyl)-1-phenyldiazenium 2,4,6-trinitrophenolate","Acta Crystallographica Section E","2011","67","4","o878","","10.1107/S1600536811008968","","","0.71073","MoKα","","0.0733","0.0369","","","0.0689","0.0749","","","","","","0.866","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229648","4.8816","0.0003","20.6948","0.0014","7.9697","0.0005","90","","109.544","0.004","90","","758.74","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(Trifluoromethyl)benzoic acid","2-(Trifluoromethyl)benzoic acid","","- C8 H5 F3 O2 -","- C8 H5 F3 O2 -","- C32 H20 F12 O8 -","4","1","FL2339","Betz, Richard; Gerber, Thomas","2-(Trifluoromethyl)benzoic acid","Acta Crystallographica Section E","2011","67","4","o907","","10.1107/S1600536811009597","","","0.71073","MoKα","","0.06","0.0485","","","0.1062","0.1131","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229649","5.8424","0.0001","19.59","0.0003","13.4314","0.0002","90","","92.649","0.001","90","","1535.62","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Cyclohexylsulfinyl-2-methylnaphtho[2,1-<i>b</i>]furan","","- C19 H20 O2 S -","- C19 H20 O2 S -","- C76 H80 O8 S4 -","4","1","FL2340","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","1-Cyclohexylsulfinyl-2-methylnaphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2011","67","4","o1002","","10.1107/S1600536811010981","","","0.71073","MoKα","","0.0476","0.0408","","","0.1007","0.1043","","","","","","1.061","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229650","8.85","0.004","12.019","0.005","28.242","0.012","90","","90","","90","","3004","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","12,12'-[2,2'-Oxybis(ethane-2,1-diyl)bis(oxy)]bis[(<i>R</i>~p~)- 4-bromo[2.2]paracyclophane]","","- C36 H36 Br2 O3 -","- C36 H36 Br2 O3 -","- C144 H144 Br8 O12 -","4","1","FY2003","Hong, Bing; Ma, Yudao; Duan, Wenzeng; He, Fuyan; Zhao, Lei","12,12'-[2,2'-Oxybis(ethane-2,1-diyl)bis(oxy)]bis[(<i>R</i>~p~)-4-bromo[2.2]paracyclophane]","Acta Crystallographica Section E","2011","67","4","o950","","10.1107/S1600536811010051","","","0.71073","MoKα","","0.0398","0.0297","","","0.0649","0.0684","","","","","","1.018","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229651","10.9485","0.0007","33.1581","0.0014","4.1488","0.0005","90","","90","","90","","1506.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Pyridine-3-carboxamidinium chloride","","- C6 H8 Cl N3 -","- C6 H8 Cl N3 -","- C48 H64 Cl8 N24 -","8","2","GK2326","Liu, Fei; Zhang, Fang; Chen, Qifan; Zhang, Huidong","Pyridine-3-carboxamidinium chloride","Acta Crystallographica Section E","2011","67","4","o781","","10.1107/S1600536811002704","","","0.71073","MoKα","","0.0321","0.0285","","","0.0683","0.0707","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229652","7.4559","0.0015","11.494","0.002","12.481","0.003","90","","96.19","0.03","90","","1063.4","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(2-aminoethanesulfonato- κ^2^<i>N</i>,<i>O</i>)nickel(II)]-μ-1,4-bis(1<i>H</i>-imidazol-1- yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C16 H22 N6 Ni O6 S2 -","- C16 H22 N6 Ni O6 S2 -","- C32 H44 N12 Ni2 O12 S4 -","2","0.5","GK2349","Liu, Jin-Biao","<i>catena</i>-Poly[[bis(2-aminoethanesulfonato-κ^2^<i>N</i>,<i>O</i>)nickel(II)]-μ-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section E","2011","67","4","m452","","10.1107/S1600536811009238","","","0.71073","MoKα","","0.0683","0.0485","","","0.091","0.097","","","","","","1.136","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229653","8.764","0.004","12.307","0.005","15.739","0.007","103.257","0.007","102.243","0.007","97.606","0.007","1585.3","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) acetate heptahydrate","","- C28 H36 Cu N4 O11 -","- C28 H36 Cu N4 O11 -","- C56 H72 Cu2 N8 O22 -","2","1","GK2351","Jing, Buqin; Li, Lianzhi; Dong, Jianfang; Xu, Tao","(Acetato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) acetate heptahydrate","Acta Crystallographica Section E","2011","67","4","m464","","10.1107/S1600536811009676","","","0.71073","MoKα","","0.1077","0.057","","","0.1082","0.13","","","","","","0.948","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229654","11.873","0.002","12.063","0.002","16.208","0.003","90","","109.225","0.003","90","","2191.9","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{2-[5-(3,5-Difluorophenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5- hexafluorocyclopent-1-en-1-yl}-1,5-dimethylpyrrole-2-carbonitrile","","- C23 H14 F8 N2 S -","- C23 H14 F8 N2 S -","- C92 H56 F32 N8 S4 -","4","1","GK2352","Liu, Gang; Wang, Xiao-mei; Fan, Cong-bin","4-{2-[5-(3,5-Difluorophenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-1,5-dimethylpyrrole-2-carbonitrile","Acta Crystallographica Section E","2011","67","4","o939","","10.1107/S1600536811009780","","","0.71073","MoKα","","0.1132","0.0447","","","0.082","0.1077","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229655","24.521","0.0012","9.1356","0.0005","19.1943","0.0016","90","","124.282","0.001","90","","3552.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-(1-Adamantyl)-3-(2-chlorophenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4] thiadiazole","","- C19 H19 Cl N4 S -","- C19 H19 Cl N4 S -","- C152 H152 Cl8 N32 S8 -","8","1","GK2358","Tahir, M. Nawaz; Khan, Mahmood-ul-Hassan; Hammed, Shahid; Bokhari, Tanveer Hussain; Hina, Saira","6-(1-Adamantyl)-3-(2-chlorophenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2011","67","4","o1022","","10.1107/S1600536811011391","","","0.71073","MoKα","","0.058","0.0476","","","0.1137","0.1246","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229656","10.18","0.005","9.87","0.005","20.049","0.003","90","","90","","90","","2014.5","1.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-Chloro-6-{2-[cyclopentylidene]hydrazin-1-yl}pyridazine","","- C9 H11 Cl N4 -","- C9 H11 Cl N4 -","- C72 H88 Cl8 N32 -","8","2","GK2360","Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof","3-Chloro-6-[2-(cyclopentylidene)hydrazin-1-yl]pyridazine","Acta Crystallographica Section E","2011","67","4","o1020","","10.1107/S1600536811011342","","","0.71073","MoKα","","0.0965","0.0499","","","0.1031","0.1201","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229657","6.0078","0.0006","26.023","0.003","6.1319","0.0007","90","","106.009","0.002","90","","921.49","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis[(2-pyridylethyl)iminomethyl]benzene","","- C22 H22 N4 -","- C22 H22 N4 -","- C44 H44 N8 -","2","0.5","GO2006","Chiririwa, Haleden; Moss, John R.; Su, Hong; Hendricks, Denver; Meijboom, Reinout","1,4-Bis[(2-pyridylethyl)iminomethyl]benzene","Acta Crystallographica Section E","2011","67","4","o921","","10.1107/S1600536811009809","","","0.71073","MoKα","","0.0477","0.0401","","","0.104","0.1095","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229658","9.8592","0.001","7.1533","0.0006","25.678","0.002","90","","96.646","0.005","90","","1798.8","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(Thiophen-2-yl)-<i>N</i>-(4-{(<i>E</i>)-[2-(thiophen-2- yl)ethyl]iminomethyl}benzylidene)ethanamine","","- C20 H20 N2 S2 -","- C20 H20 N2 S2 -","- C80 H80 N8 S8 -","4","0.5","GO2007","Chiririwa, Haleden; Meijboom, Reinout; Omondi, Bernard","2-(Thiophen-2-yl)-<i>N</i>-(4-{(<i>E</i>)-[2-(thiophen-2-yl)ethyl]iminomethyl}benzylidene)ethanamine","Acta Crystallographica Section E","2011","67","4","o922","","10.1107/S1600536811009810","","","0.71073","MoKα","","0.0795","0.0573","","","0.1634","0.1806","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229659","12.8404","0.0002","14.2623","0.0003","9.5868","0.0002","90","","99.467","0.001","90","","1731.75","0.06","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Aqua{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]ethane-1,2-\ diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C13 H19 N5 Ni O S2 -","- C13 H19 N5 Ni O S2 -","- C52 H76 N20 Ni4 O4 S8 -","4","1","GO2008","Suleiman Gwaram, Nura; Saharin, Siti Munirah; Khaledi, Hamid; Mohd Ali, Hapipah","Aqua{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2011","67","4","m513","","10.1107/S1600536811011512","","","0.71073","MoKα","","0.0348","0.0313","","","0.0681","0.0702","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229660","10.7118","0.001","22.601","0.002","10.924","0.001","90","","109.939","0.001","90","","2486.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Dicyclohexylamino-3-phenyl-5,6-dihydro-8<i>H</i>- thiopyrano[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","","- C27 H33 N3 O S2 -","- C27 H33 N3 O S2 -","- C108 H132 N12 O4 S8 -","4","1","HB5802","Liang, Xizhen; Zhou, Yueming","2-Dicyclohexylamino-3-phenyl-5,6-dihydro-8<i>H</i>-thiopyrano[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","4","o888","","10.1107/S1600536811009226","","","0.71073","MoKα","","0.0527","0.0391","","","0.0891","0.0973","","","","","","0.996","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229661","7.3846","0.0004","29.3963","0.0019","10.2739","0.0007","90","","90","","90","","2230.3","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4-Bis(4-propoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C104 H132 N4 O12 -","4","0.5","HB5803","Parthiban, P.; Ramkumar, V.; Jeong, Yeon Tae","2,4-Bis(4-propoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2011","67","4","o790","","10.1107/S1600536811007483","","","0.71073","MoKα","","0.0938","0.044","","","0.0852","0.1044","","","","","","0.996","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229662","11.733","0.002","16.831","0.003","21.721","0.004","94.69","0.03","96.88","0.03","99.44","0.03","4178.3","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-[6,8-Dibromo-3-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinazolin-2-yl]phenol methanol 0.25-solvate","","- C20.25 H23 Br2 N2 O2.25 -","- C20.25 H23 Br2 N2 O2.25 -","- C162 H184 Br16 N16 O18 -","8","4","HB5804","Wang, Zhi-Gang; Wang, Rong; Zhi, Feng; Wang, Ming-Li","2-[6,8-Dibromo-3-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinazolin-2-yl]phenol methanol 0.25-solvate","Acta Crystallographica Section E","2011","67","4","o808","o809","10.1107/S1600536811007987","","","0.71073","MoKα","","0.2294","0.0871","","","0.1464","0.1988","","","","","","0.953","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229663","7.1537","0.0009","15.7277","0.0019","18.601","0.004","90","","97.806","0.014","90","","2073.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(2-hydroxy-2,2- diphenylacetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)copper(II)","","- C24 H19 Cl Cu N2 O3 -","- C24 H19 Cl Cu N2 O3 -","- C96 H76 Cl4 Cu4 N8 O12 -","4","1","HB5805","Reza, Md. Yeamin; Banu, Laila Arjuman; Islam, M. Saidul; Ng, Seik Weng; Tiekink, Edward R. T.","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(2-hydroxy-2,2-diphenylacetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)copper(II)","Acta Crystallographica Section E","2011","67","4","m399","","10.1107/S160053681100729X","","","0.71073","MoKα","","0.093","0.06","","","0.165","0.238","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229664","11.3934","0.0013","9.6588","0.0011","25.018","0.003","90","","93.466","0.002","90","","2748.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3β-Acetoxy-6-hydroxyiminocholestane","(3<i>S</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)- 17-[(1<i>R</i>)-1,5-dimethylhexyl]-6-hydroxyimino-10,13-dimethyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>- cyclopenta[<i>a</i>]phenanthren-3-yl acetate","","- C29 H49 N O3 -","- C29 H49 N O3 -","- C116 H196 N4 O12 -","4","2","HB5806","Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Ng, Seik Weng; Tiekink, Edward R. T.","3β-Acetoxy-6-hydroxyiminocholestane","Acta Crystallographica Section E","2011","67","4","o773","o774","10.1107/S1600536811007306","","","0.71073","MoKα","","0.092","0.05","","","0.096","0.114","","","","","","0.99","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229665","13.0276","0.001","14.815","0.0011","17.8893","0.0014","90.012","0.001","110.295","0.002","102.187","0.002","3155.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Hydroxyethyl)-3-[(2-hydroxyethyl)amino]-4-(1H-indol-3-yl)-1<i>H</i>- pyrrole-2,5-dione","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C128 H136 N24 O32 -","8","4","HB5807","Xie, Zhi-Xiong; Zhao, Sheng-Yin","1-(2-Hydroxyethyl)-3-[(2-hydroxyethyl)amino]-4-(1<i>H</i>-indol-3-yl)-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section E","2011","67","4","o854","","10.1107/S1600536811007677","","","0.71073","MoKα","","0.092","0.0468","","","0.082","0.0979","","","","","","0.885","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229666","14.311","0.003","11.469","0.002","9.736","0.002","90","","90.032","0.002","90","","1598","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide","","- C14 H9 Cl I2 N2 O2 -","- C14 H9 Cl I2 N2 O2 -","- C56 H36 Cl4 I8 N8 O8 -","4","1","HB5809","Wang, Fei; Liu, Da-Yong; Wang, Hai-Bo; Meng, Xian-Sheng; Kang, Ting-Guo","2-Chloro-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","4","o810","","10.1107/S1600536811007653","","","0.71073","MoKα","","0.1219","0.0551","","","0.0926","0.1119","","","","","","0.953","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229667","6.4604","0.0001","10.1634","0.0002","16.9901","0.0004","105.264","0.001","92.103","0.001","97.363","0.001","1064.44","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","4-({[6-(4-Chlorobenzyl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3- yl]sulfanyl}acetyl)-3-phenylsydnone","4-({[6-(4-Chlorobenzyl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3- yl]sulfanyl}acetyl)-3-phenyl-1,2,3-oxadiazol-3-ylium-5-olate","","- C21 H16 Cl N5 O4 S -","- C21 H16 Cl N5 O4 S -","- C42 H32 Cl2 N10 O8 S2 -","2","1","HB5811","Fun, Hoong-Kun; Hemamalini, Madhukar; Nithinchandra; Kalluraya, Balakrishna","4-({[6-(4-Chlorobenzyl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone","Acta Crystallographica Section E","2011","67","4","o820","","10.1107/S1600536811007689","","","0.71073","MoKα","","0.0665","0.049","","","0.141","0.1542","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229668","9.7197","0.0002","18.7729","0.0006","29.8372","0.0007","90","","90","","90","","5444.3","0.2","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","{4-Bromo-2-[(2-sulfidophenyl)iminomethyl]phenolato- κ^3^<i>S</i>,<i>N</i>,<i>O</i>}(triphenylphosphane-κ<i>P</i>)nickel(II)","","- C31 H23 Br N Ni O P S -","- C31 H23 Br N Ni O P S -","- C248 H184 Br8 N8 Ni8 O8 P8 S8 -","8","1","HB5813","Tamizh, M. Muthu; Karvembu, R.; Varghese, B.; Tiekink, Edward R. T.","{4-Bromo-2-[(2-sulfidophenyl)iminomethyl]phenolato-κ^3^<i>S</i>,<i>N</i>,<i>O</i>}(triphenylphosphane-κ<i>P</i>)nickel(II)","Acta Crystallographica Section E","2011","67","4","m441","","10.1107/S1600536811008907","","","0.71073","MoKα","","0.072","0.035","","","0.077","0.092","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229669","15.082","0.005","6.56","0.002","15.205","0.005","90","","110.272","0.008","90","","1411.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(<i>E</i>)-(4-Chlorobenzylidene)amino]-1-phenylthiourea","","- C14 H12 Cl N3 S -","- C14 H12 Cl N3 S -","- C56 H48 Cl4 N12 S4 -","4","1","HB5814","Dzulkifli, Nur Nadia; Farina, Yang; Yamin, Bohari M.; Baba, Ibrahim; Tiekink, Edward R. T.","3-[(<i>E</i>)-(4-Chlorobenzylidene)amino]-1-phenylthiourea","Acta Crystallographica Section E","2011","67","4","o872","","10.1107/S1600536811008920","","","0.71073","MoKα","","0.141","0.068","","","0.114","0.137","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229670","11.2794","0.0002","11.2794","0.0002","36.6986","0.0006","90","","90","","120","","4043.45","0.12","100","2","100","2","","","","","","","","3","P 31 2 1","P 31 2""","152","Epielemadienolic acid","3α-Hydroxytirucalla-8,24-dien-21-oic acid","","- C30 H48 O3 -","- C30 H48 O3 -","- C180 H288 O18 -","6","1","HB5815","Yousuf, S.; Kamdem, R. S. T.; Ngadjui, B. T.; Wafo, P.; Fun, Hoong-Kun","3α-Hydroxytirucalla-8,24-dien-21-oic acid","Acta Crystallographica Section E","2011","67","4","o937","o938","10.1107/S1600536811008956","","","1.54178","CuKα","","0.0388","0.0382","","","0.1029","0.1035","","","","","","0.97","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229671","8.2835","0.0002","9.3722","0.0003","10.8299","0.0003","85.537","0.001","88.614","0.001","72.203","0.001","798.11","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-(4-acetamidobenzenesulfonamido)benzoate","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C32 H32 N4 O10 S2 -","2","1","HB5817","Khan, Islam Ullah; Sharif, Shahzad; Ali, Salamat; Ahmad, Waqar; Tiekink, Edward R. T.","Methyl 2-(4-acetamidobenzenesulfonamido)benzoate","Acta Crystallographica Section E","2011","67","4","o903","","10.1107/S1600536811009500","","","0.71073","MoKα","","0.046","0.038","","","0.106","0.113","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229672","11.014","0.002","15.487","0.002","9.15","0.001","90","","93.503","0.003","90","","1557.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]- 4-methylbenzohydrazide","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","HB5818","Liu, Shi-Yong; Sun, Shan-Shan; Zheng, Ting-Ting; Zheng, Xiang-Lei; Zhao, Xiao-Feng; Li, Xiao-Fang","(<i>E</i>)-<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]-4-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","4","o964","","10.1107/S160053681101035X","","","0.71073","MoKα","","0.1506","0.0681","","","0.1604","0.1924","","","","","","0.927","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229673","5.7301","0.0004","6.3493","0.0003","6.4964","0.0004","92.863","0.002","97.223","0.001","108.258","0.002","221.67","0.02","296","2","296","2","","","","","","","","3","P 1","P 1","1","","2-[(1<i>R</i>*,4<i>R</i>*)-1,4-dihydroxycyclohexyl]acetic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C8 H14 O4 -","1","1","HB5819","Arfan, Mohammad; Hussain, Syed Hamid; Tahir, M. Nawaz; Rafique, Jamal; Shaheen, Farzana","2-[(1<i>R</i>*,4<i>R</i>*)-1,4-Dihydroxycyclohexyl]acetic acid","Acta Crystallographica Section E","2011","67","4","o968","","10.1107/S1600536811010397","","","0.71073","MoKα","","0.0445","0.0371","","","0.0875","0.0908","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229674","12.878","0.003","15.181","0.003","11.136","0.002","90","","91.37","0.03","90","","2176.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dichloridocobalt(II)]-μ-4,4'-bis(benzimidazol- 1-yl)biphenyl]","","- C26 H18 Cl2 Co N4 -","- C26 H18 Cl2 Co N4 -","- C104 H72 Cl8 Co4 N16 -","4","0.5","HB5820","Li, Hui; Han, Qiuping; Yao, Chenzhong; Gong, Qiaojuan; Wei, Zhuangwei","<i>catena</i>-Poly[[dichloridocobalt(II)]-μ-4,4'-bis(benzimidazol-1-yl)biphenyl]","Acta Crystallographica Section E","2011","67","4","m492","","10.1107/S1600536811010671","","","0.71073","MoKα","","0.0617","0.0529","","","0.1191","0.1238","","","","","","1.123","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229675","5.1588","0.0002","6.9277","0.0002","20.035","0.0006","83.574","0.001","86.357","0.001","72.824","0.001","679.44","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","4-{[(4-Methylphenyl)sulfonyl]amino}benzoic acid","4-{[(4-Methylphenyl)sulfonyl]amino}benzoic acid","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C28 H26 N2 O8 S2 -","2","1","HB5824","Mustafa, Ghulam; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Sharif, Shahzad; Arshad, Muhammad Nadeem","4-{[(4-Methylphenyl)sulfonyl]amino}benzoic acid","Acta Crystallographica Section E","2011","67","4","o1018","","10.1107/S1600536811011524","","","0.71073","MoKα","","0.0575","0.0442","","","0.1313","0.1467","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229676","5.8113","0.0003","10.6959","0.0005","28.4455","0.0013","90","","94.983","0.004","90","","1761.41","0.15","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-Bis(4-methylphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","HB5825","Butcher, Ray J.; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","3,5-Bis(4-methylphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","4","o1019","","10.1107/S1600536811011494","","","1.54178","CuKα","","0.0503","0.043","","","0.1134","0.1192","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229677","15.1231","0.0009","13.3558","0.0008","13.8684","0.0008","90","","120.965","0.002","90","","2401.9","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-Dimethyl-1-phenylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","HB5827","Ahmad, Neman; Tahir, M. Nawaz; Khan, Misbahul Ain; Ather, Abdul Qayyum; Khan, Muhammad Naeem","3,4-Dimethyl-1-phenylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","4","o1021","","10.1107/S1600536811011317","","","0.71073","MoKα","","0.0783","0.0455","","","0.1174","0.1403","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","201978","2020-10-21","18:00:00",""
"2229678","10.9898","0.0003","9.4494","0.0002","11.4768","0.0003","90","","103.074","0.0011","90","","1160.94","0.05","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Benzylpyrrolidine-2,5-dicarbonitrile","","- C13 H13 N3 -","- C13 H13 N3 -","- C52 H52 N12 -","4","1","HG2792","Ponugoti, Purushothama Rao; Penthala, Narsimha Reddy; Dwoskin, Linda P.; Parkin, Sean; Crooks, Peter A.","<i>cis</i>-1-Benzylpyrrolidine-2,5-dicarbonitrile","Acta Crystallographica Section E","2011","67","4","o747","","10.1107/S1600536811006258","","","0.71073","MoKα","","0.1004","0.0508","","","0.1276","0.1542","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229679","13.9502","0.0008","32.2588","0.0017","6.9728","0.0003","90","","90","","90","","3137.9","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-[2-(Benzylsulfanyl)acetyl]-3,4-dihydroquinoxalin-2(1<i>H</i>)-one","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C136 H128 N16 O16 S8 -","8","1","HG2799","Nasir, Waqar; Munawar, Munawar Ali; Nadeem, Sohail; Amjad, Rana; Adnan, Ahmad","4-[2-(Benzylsulfanyl)acetyl]-3,4-dihydroquinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","4","o848","","10.1107/S1600536811008178","","","0.71073","MoKα","","0.097","0.0552","","","0.1533","0.1829","","","","","","0.998","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229680","9.1672","0.0014","8.6538","0.0014","19.899","0.003","90","","91.295","0.003","90","","1578.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","10-Phenyl-6b,7,8,9,9a,10-hexahydro-6<i>H</i>- cyclopenta[4,5]pyrano[3,2-<i>c</i>]chromen-6,9-dione","16-phenyl-8,17-dioxatetracyclo[8.7.0.0^2,7^.0^11,15^]heptadeca- 1(10),2(7),3,5-tetraene-9,14-dione","","- C21 H16 O4 -","- C21 H16 O4 -","- C84 H64 O16 -","4","1","HG2800","Qiao, Zhen; Liu, Li; Wang, Dong","10-Phenyl-6b,7,8,9,9a,10-hexahydro-6<i>H</i>-cyclopenta[4,5]pyrano[3,2-<i>c</i>]chromen-6,9-dione","Acta Crystallographica Section E","2011","67","4","o855","","10.1107/S1600536811006192","","","0.71073","MoKα","","0.0567","0.0549","","","0.1422","0.1441","","","","","","1.102","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229681","9.572","0.0002","10.8441","0.0004","17.5925","0.0006","80.941","0.001","75.267","0.002","89.343","0.002","1743.25","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Methyl 1-cyclohexyl-6,7-dimethoxy-3,4-dihydroisoquinoline-3-carboxylate","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","2","HG5002","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik. G; Maguire, Glenn. E. M","Methyl 1-cyclohexyl-6,7-dimethoxy-3,4-dihydroisoquinoline-3-carboxylate","Acta Crystallographica Section E","2011","67","4","o883","","10.1107/S1600536811009032","","","0.71073","MoKα","","0.0518","0.0397","","","0.1026","0.1101","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229682","12.0755","0.0002","9.0033","0.0002","13.9112","0.0002","90","","108.667","0.001","90","","1432.86","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Chloro-3-cyclohexylsulfinyl-2-methyl-1-benzofuran","","- C15 H17 Cl O2 S -","- C15 H17 Cl O2 S -","- C60 H68 Cl4 O8 S4 -","4","2","HG5004","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Chloro-3-cyclohexylsulfinyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o804","","10.1107/S1600536811007859","","","0.71073","MoKα","","0.0365","0.0333","","","0.0818","0.0843","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229683","11.3172","0.0005","12.0268","0.0004","12.6634","0.0005","111.318","0.003","91.62","0.003","94.581","0.003","1597.5","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-3-(4-Chlorophenyl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C80 H64 Cl4 N4 O4 -","4","2","HG5005","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-3-(4-Chlorophenyl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o796","o797","10.1107/S1600536811007835","","","0.71073","MoKα","","0.05","0.038","","","0.094","0.109","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229684","6.0234","0.0009","46.225","0.007","9.4371","0.0011","90","","129.636","0.007","90","","2023.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[<i>N</i>-(4-{4-[(<i>E</i>)-(2- hydroxybenzylidene)amino]phenoxy}phenyl)carboximidoyl]phenol","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","HG5006","Shahverdizadeh, Gholam Hossein; Tiekink, Edward R. T.","2-[<i>N</i>-(4-{4-[(<i>E</i>)-(2-Hydroxybenzylidene)amino]phenoxy}phenyl)carboximidoyl]phenol","Acta Crystallographica Section E","2011","67","4","o798","","10.1107/S1600536811007847","","","0.71073","MoKα","","0.18","0.069","","","0.166","0.242","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229685","5.794","0.0012","8.751","0.0018","14.965","0.003","98.64","0.03","90.66","0.03","99.45","0.03","739.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-(4-Chlorobenzylidene)-5-(4-methylphenyl)-1,3,4- thiadiazol-2-amine","","- C16 H12 Cl N3 S -","- C16 H12 Cl N3 S -","- C32 H24 Cl2 N6 S2 -","2","1","HG5007","Yu, Peng; Wang, Peng; Zhang, Jian-Qiang; He, Qiu; Wan, Rong","(<i>E</i>)-<i>N</i>-(4-Chlorobenzylidene)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2011","67","4","o861","","10.1107/S1600536811008841","","","0.71073","MoKα","","0.0917","0.0576","","","0.1479","0.179","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229686","5.8824","0.0006","10.241","0.0009","12.3902","0.0014","94.718","0.008","90.427","0.009","90.979","0.008","743.74","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-Cyclohexyl-3-{(<i>E</i>)-[1-(pyridin-2-yl)ethylidene]amino}thiourea","","- C14 H20 N4 S -","- C14 H20 N4 S -","- C28 H40 N8 S2 -","2","1","HG5008","Salam, Md. Abdus; Affan, Md. Abu; Ahmad, Fasihuddin B.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Cyclohexyl-3-{(<i>E</i>)-[1-(pyridin-2-yl)ethylidene]amino}thiourea","Acta Crystallographica Section E","2011","67","4","o955","","10.1107/S1600536811009317","","","0.71073","MoKα","","0.0775","0.0529","","","0.1297","0.1512","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229687","8.8693","0.0007","10.0637","0.0006","11.896","0.0009","100.219","0.006","110.31","0.007","102.475","0.006","934.63","0.14","170","2","170","2","","","","","","","","3","P -1","-P 1","2","1H-imidazole","1,2-Diphenyl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline","","- C25 H16 N4 -","- C25 H16 N4 -","- C50 H32 N8 -","2","1","HG5009","Rosepriya, S.; Thiruvalluvar, A.; Jayabharathi, J.; Venkatesh Perumal, M.; Butcher, R. J.; Jasinski, J. P.; Golen, J. A.","1,2-Diphenyl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline","Acta Crystallographica Section E","2011","67","4","o989","","10.1107/S1600536811010890","","","1.54184","CuKα","","0.0458","0.0417","","","0.112","0.1169","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229688","7.2421","0.0011","16.688","0.003","7.2089","0.0011","90","","114.086","0.004","90","","795.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Nitroquinoline","","- C9 H6 N2 O2 -","- C9 H6 N2 O2 -","- C36 H24 N8 O8 -","4","1","HG5010","Xu, Liang; Xu, Bao-Li; Lu, Shu-Jun; Wang, Bing; Kang, Ting-Guo","8-Nitroquinoline","Acta Crystallographica Section E","2011","67","4","o957","","10.1107/S1600536811010014","","","0.71073","MoKα","","0.0549","0.0452","","","0.1342","0.1473","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229689","7.9808","0.0005","11.7557","0.0008","16.416","0.0011","99.638","0.001","94.128","0.001","109.2","0.001","1420.54","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-(2-Hydroxyphenyl)-1-{(<i>E</i>)-[1-(pyrazin-2-yl)ethylidene]amino}thiourea monohydrate","","- C13 H15 N5 O2 S -","- C13 H15 N5 O2 S -","- C52 H60 N20 O8 S4 -","4","2","HG5012","Normaya, Erna; Farina, Yang; Halim, Siti Nadiah Abd; Tiekink, Edward R. T.","3-(2-Hydroxyphenyl)-1-{(<i>E</i>)-[1-(pyrazin-2-yl)ethylidene]amino}thiourea monohydrate","Acta Crystallographica Section E","2011","67","4","o943","o944","10.1107/S1600536811010038","","","0.71073","MoKα","","0.046","0.035","","","0.1","0.11","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229690","9.7703","0.0005","19.182","0.0009","8.8049","0.0004","90","","97.494","0.002","90","","1636.07","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tricarbonyl[7-methoxy-2-(η^6^-phenyl)chromane]chromium(0)","","- C19 H16 Cr O5 -","- C19 H16 Cr O5 -","- C76 H64 Cr4 O20 -","4","1","HP2002","Gohain, Mukut; Muller, Theunis J.; Bezuidenhoudt, Barend C. B.","Racemic tricarbonyl[7-methoxy-2-(η^6^-phenyl)chromane]chromium(0)","Acta Crystallographica Section E","2011","67","4","m438","m439","10.1107/S1600536811008683","","","0.71073","MoKα","","0.0409","0.0344","","","","0.0904","","","","","","0.996","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229691","8.031","0.001","9.732","0.003","12.436","0.007","90","","96.584","0.009","90","","965.6","0.6","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[zinc-bis(μ-2-sulfido-1<i>H</i>-\ benzimidazol-3-ium-5-carboxylato)-\ κ^2^<i>O</i>:<i>S</i>;κ^2^<i>S</i>:<i>O</i>] trihydrate]","","- C16 H16 N4 O7 S2 Zn -","- C16 H16 N4 O7 S2 Zn -","- C32 H32 N8 O14 S4 Zn2 -","2","0.5","HY2396","Li, Ya-Ping; Sun, Da-Jun; Zang, Hu; Han, Li-Ying; Su, Guan-Fang","<i>catena</i>-Poly[[zinc-bis(μ-2-sulfido-1<i>H</i>-benzimidazol-3-ium-5-carboxylato)-κ^2^<i>O</i>:<i>S</i>;κ^2^<i>S</i>:<i>O</i>] trihydrate]","Acta Crystallographica Section E","2011","67","4","m397","","10.1107/S1600536811006532","","","0.71073","MoKα","","0.0655","0.0416","","","0.0881","0.0985","","","","","","0.976","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229692","15.406","0.004","15.478","0.004","10.734","0.003","90","","118.364","0.003","90","","2252.3","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-aqua-μ~3~-(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxylato- κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^4^:<i>O</i>^5^)-sodium] hemihydrate]","","- C8 H12 N2 Na O5.5 -","- C8 H12 N2 Na O5.5 -","- C64 H96 N16 Na8 O44 -","8","1","HY2402","Huang, Zhong-Jing; Tang, Jin-Niu; Luo, Zhi-Rong; Wang, Dai-Yin; Wei, Huan","Poly[[μ~2~-aqua-μ~3~-(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxylato-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^4^:<i>O</i>^5^)-sodium] hemihydrate]","Acta Crystallographica Section E","2011","67","4","m408","","10.1107/S1600536811007732","","","0.71073","MoKα","","0.0415","0.0338","","","0.0994","0.1055","","","","","","1.097","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229693","7.5236","0.0002","18.02","0.0007","18.7122","0.0006","90","","100.883","0.002","90","","2491.28","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzene-1,3-diammonium bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cobaltate(II) pentahydrate","","- C20 H26 Co N4 O13 -","- C20 H26 Co N4 O13 -","- C80 H104 Co4 N16 O52 -","4","1","HY2407","Pasdar, Hoda; Sadat Kashani, Saghi; Ghiasi, Reza; Aghabozorg, Hossein; Notash, Behrouz","Benzene-1,3-diammonium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cobaltate(II) pentahydrate","Acta Crystallographica Section E","2011","67","4","m507","m508","10.1107/S1600536811009858","","","0.71073","MoKα","","0.0764","0.0553","","","0.1059","0.1132","","","","","","1.205","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229694","7.4785","0.0011","11.2959","0.0016","12.6153","0.0018","90","","105.989","0.005","90","","1024.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3-hydroxymethylanilinium) hexachloridostannate(IV)","","- C14 H20 Cl6 N2 O2 Sn -","- C14 H20 Cl6 N2 O2 Sn -","- C28 H40 Cl12 N4 O4 Sn2 -","2","0.5","HY2408","Bouacida, Sofiane; Kechout, Habiba; Belhouas, Ratiba; Merazig, Hocine; Roisnel, Thierry","Bis(3-hydroxymethylanilinium) hexachloridostannate(IV)","Acta Crystallographica Section E","2011","67","4","m395","","10.1107/S1600536811007252","","","0.71073","MoKα","","0.0301","0.0247","","","0.0559","0.0582","","","","","","1.068","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229695","9.3437","0.0019","13.274","0.003","13.88","0.003","64.61","0.03","88.77","0.03","69.83","0.03","1443.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')[2-(4- sulfonatoanilino)acetato-κ<i>O</i>]copper(II) dihydrate","","- C32 H27 Cu N5 O7 S -","- C32 H27 Cu N5 O7 S -","- C64 H54 Cu2 N10 O14 S2 -","2","1","HY2409","Lu, Yue; Li, Xing; Bing, Yue; Zha, Mei-Qin; Li, Yin-Xin","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')[2-(4-sulfonatoanilino)acetato-κ<i>O</i>]copper(II) dihydrate","Acta Crystallographica Section E","2011","67","4","m402","m403","10.1107/S160053681100746X","","","0.71073","MoKα","","0.0636","0.0449","","","0.1119","0.13","","","","","","1.106","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229696","12.515","0.003","6.8232","0.0014","19.489","0.004","90","","93.71","0.03","90","","1660.7","0.6","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaqua(2-fluorobenzoato- κ^2^<i>O</i>,<i>O</i>')strontium]-μ~3~-2-fluorobenzoato- κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>',<i>F</i>] monohydrate]","","- C14 H14 F2 O7 Sr -","- C14 H14 F2 O7 Sr -","- C56 H56 F8 O28 Sr4 -","4","1","HY2410","Jin, Zhu-Nian","<i>catena</i>-Poly[[[diaqua(2-fluorobenzoato-κ^2^<i>O</i>,<i>O</i>')strontium]-μ~3~-2-fluorobenzoato-κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>',<i>F</i>] monohydrate]","Acta Crystallographica Section E","2011","67","4","m440","","10.1107/S1600536811008397","","","0.71073","MoKα","","0.0547","0.0323","","","0.0587","0.0972","","","","","","1.279","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229697","5.3209","0.0011","8.3893","0.0017","16.621","0.003","81.58","0.03","85.26","0.03","74.09","0.03","705.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-methyl-4-oxoimidazolidin-2-iminium) diaquabis(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)zincate(II) dihydrate","","- C22 H30 N8 O14 Zn -","- C22 H30 N8 O14 Zn -","- C22 H30 N8 O14 Zn -","1","0.5","HY2411","Aghabozorg, Hossein; Jafarbak, Fatemeh; Mirzaei, Masoud; Notash, Behrouz","Bis(1-methyl-4-oxoimidazolidin-2-iminium) diaquabis(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)zincate(II) dihydrate","Acta Crystallographica Section E","2011","67","4","m435","m436","10.1107/S1600536811008452","","","0.71073","MoKα","","0.0417","0.0328","","","0.0864","0.0902","","","","","","1.053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229698","10.57","0.002","16.112","0.003","8.339","0.0017","90","","94.35","0.03","90","","1416.1","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)mercury(II)","","- C13 H6 Hg N4 O S2 -","- C13 H6 Hg N4 O S2 -","- C52 H24 Hg4 N16 O4 S8 -","4","0.5","HY2412","Notash, Behrouz; Safari, Nasser; Amani, Vahid","(4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>S</i>)mercury(II)","Acta Crystallographica Section E","2011","67","4","m418","","10.1107/S1600536811008142","","","0.71073","MoKα","","0.0521","0.0481","","","0.1155","0.1182","","","","","","1.085","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229699","8.2386","0.0016","9.4324","0.0019","11.081","0.002","98.32","0.03","95.01","0.03","106.11","0.03","811.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')[2,6-bis(1<i>H</i>-pyrazol-3-yl- κ<i>N</i>^2^)pyridine-κ<i>N</i>]manganese(II)","","- C15 H15 Mn N5 O4 -","- C15 H15 Mn N5 O4 -","- C30 H30 Mn2 N10 O8 -","2","1","HY2414","Yu, Fan; Li, Bao","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')[2,6-bis(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]manganese(II)","Acta Crystallographica Section E","2011","67","4","m502","","10.1107/S1600536811010506","","","0.71073","MoKα","","0.0451","0.0339","","","0.0961","0.1166","","","","","","1.098","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229700","24.227","0.006","11.03","0.003","7.535","0.002","90","","107.939","0.019","90","","1915.6","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{4,4'-Dibromo-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","","- C19 H18 Br2 N2 Ni O2 -","- C19 H18 Br2 N2 Ni O2 -","- C76 H72 Br8 N8 Ni4 O8 -","4","0.5","HY2415","Rayati, Saeed; Ghaemi, Akbar; Notash, Behrouz","{4,4'-Dibromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","Acta Crystallographica Section E","2011","67","4","m448","","10.1107/S1600536811009056","","","0.71073","MoKα","","0.0991","0.0728","","","0.187","0.2109","","","","","","1.156","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229701","15.507","0.003","7.35","0.0015","32.175","0.006","90","","90","","90","","3667.2","1.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichlorido[2,4-dimethyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline- κ^2^<i>N</i>,<i>N</i>']dimethyltin(IV)","","- C16 H20 Cl2 N2 Sn -","- C16 H20 Cl2 N2 Sn -","- C128 H160 Cl16 N16 Sn8 -","8","2","HY2416","Loni, Sedigheh; Talei Bavil Olyai, Mohamad Reza; Roodbari, Fatemeh; Notash, Behrouz","Dichlorido[2,4-dimethyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']dimethyltin(IV)","Acta Crystallographica Section E","2011","67","4","m489","m490","10.1107/S1600536811010439","","","0.71073","MoKα","","0.0585","0.038","","","0.0897","0.1162","","","","","","0.969","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229702","13.397","0.002","8.4152","0.0014","13.752","0.002","90","","112.57","0.003","90","","1431.6","0.4","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Bis(2,4-dichlorophenoxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5'- dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C28 H22 Cl4 Co N2 O6 -","- C28 H22 Cl4 Co N2 O6 -","- C56 H44 Cl8 Co2 N4 O12 -","2","0.5","HY2417","Ji, Li-Li; Liu, Jian-She; Song, Wen-Dong","Bis(2,4-dichlorophenoxyacetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2011","67","4","m493","","10.1107/S1600536811010579","","","0.71073","MoKα","","0.0425","0.034","","","0.0836","0.1056","","","","","","1.137","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229703","11.1165","0.0005","13.5678","0.0006","15.3183","0.0006","102.723","0.004","105.949","0.004","90.975","0.004","2159.51","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-{[4-(3,5-Dimethoxybenzamido)phenyl]sulfanyl}-<i>N</i>-methylpyridine- 2-carboxamide","","- C22 H21 N3 O4 S -","- C22 H21 N3 O4 S -","- C88 H84 N12 O16 S4 -","4","2","IM2258","Huang, Ting-Ting; Meng, Na-Na; Qing, Xiao-Yu; Yu, Luo-Ting","4-{[4-(3,5-Dimethoxybenzamido)phenyl]sulfanyl}-<i>N</i>-methylpyridine-2-carboxamide","Acta Crystallographica Section E","2011","67","4","o856","","10.1107/S1600536811006490","","","0.7107","MoKα","","0.1087","0.0435","","","0.0608","0.0652","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229704","8.1993","0.0017","9.669","0.002","15.247","0.003","87.806","0.007","75.805","0.006","83.239","0.005","1163.7","0.4","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 2,4,6-trimethylbenzenesulfonate monohydrate","","- C25 H32 N2 O4 S -","- C25 H32 N2 O4 S -","- C50 H64 N4 O8 S2 -","2","1","IM2263","Li, Yin; Zhang, Jian-Xiu; Fu, Pei-Zhen; Wu, Yi-Cheng","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 2,4,6-trimethylbenzenesulfonate monohydrate","Acta Crystallographica Section E","2011","67","4","o823","","10.1107/S1600536811007690","","","0.71073","MoKα","","0.0531","0.0416","","","0.1026","0.1079","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229705","22.2221","0.0005","4.0479","0.0001","21.7221","0.0004","90","","102.167","0.001","90","","1910.07","0.07","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5,7-Dibromo-2-methyl-8-hydroxyquinoline","5,7-Dibromo-2-methylquinolin-8-ol","","- C10 H7 Br2 N O -","- C10 H7 Br2 N O -","- C80 H56 Br16 N8 O8 -","8","1","IM2267","Schmidt, Nicole; Schwarzer, Anke; Weber, Edwin","5,7-Dibromo-2-methylquinolin-8-ol","Acta Crystallographica Section E","2011","67","4","o794","","10.1107/S1600536811007434","","","0.71073","MoKα","","0.0186","0.0169","","","0.0455","0.0461","","","","","","1.105","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229706","14.9739","0.0005","16.3416","0.0004","15.3412","0.0004","90","","101.113","0.003","90","","3683.56","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4a-Hydroxy-3,3,6,6-tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo- 2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthen-9-yl)pyridin-2-yl]- 2,3,4,4a,5,6,7,8,9,9a-decahydro-1<i>H</i>-xanthene-1,8-dione ethanol hemisolvate hemihydrate","","- C40 H51 N O8 -","- C40 H51 N O8 -","- C160 H204 N4 O32 -","4","1","IM2271","Mohamed, Shaaban K.; Abdelhamid, Antar A.; Khalilov, Ali N.; Gurbanov, Atash V.; Ng, Seik Weng","4a-Hydroxy-3,3,6,6-tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-decahydro-1<i>H</i>-xanthene-1,8-dione ethanol hemisolvate hemihydrate","Acta Crystallographica Section E","2011","67","4","o850","o851","10.1107/S1600536811008658","","","0.71073","MoKα","","0.1186","0.0786","","","0.2089","0.2466","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229707","9.56","0.0004","9.56","0.0004","11.2569","0.0005","90","","90","","120","","890.97","0.07","123","2","123","2","","","","","","","","3","P 31","P 31","144","","2-Methyl-4-phenyl-3,4-dihydroquinazoline","","- C15 H14 N2 -","- C15 H14 N2 -","- C45 H42 N6 -","3","1","IM2274","Valkonen, Arto; Kolehmainen, Erkki; Zakrzewska, Anna; Skotnicka, Agnieszka; Gawinecki, Ryszard","2-Methyl-4-phenyl-3,4-dihydroquinazoline","Acta Crystallographica Section E","2011","67","4","o923","o924","10.1107/S1600536811009664","","","0.71073","MoKα","","0.0626","0.0464","","","0.0893","0.0953","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229708","12.3832","0.0011","8.4001","0.0006","20.6394","0.0018","90","","107.316","0.001","90","","2049.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylpropan-2-aminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate","","- C14 H19 Br4 N O5 -","- C14 H19 Br4 N O5 -","- C56 H76 Br16 N4 O20 -","4","1","IS2668","Li, Jian","2-Methylpropan-2-aminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate","Acta Crystallographica Section E","2011","67","4","o869","","10.1107/S1600536811008518","","","0.71073","MoKα","","0.0956","0.0409","","","0.0621","0.0722","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229709","27.21","0.004","5.2244","0.0007","19.007","0.003","90","","119.507","0.002","90","","2351.5","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{2-[(2-furylmethyl)iminomethyl]-5-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>}zinc(II)","","- C26 H24 N2 O6 Zn -","- C26 H24 N2 O6 Zn -","- C104 H96 N8 O24 Zn4 -","4","0.5","IS2670","Li, Chunyan","Bis{2-[(2-furylmethyl)iminomethyl]-5-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>}zinc(II)","Acta Crystallographica Section E","2011","67","4","m512","","10.1107/S1600536811011536","","","0.71073","MoKα","","0.0545","0.049","","","0.1239","0.1276","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229710","10.6453","0.0012","11.6437","0.0013","12.3213","0.0014","103.186","0.001","93.712","0.002","95.46","0.002","1474.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(μ~2~-3-carboxybenzoato)bis(dipyrido[3,2-<i>a</i>;2',3'- <i>c</i>]phenazine)bis(μ~3~-isophthalato)tricopper(II)]","","- C68 H38 Cu3 N8 O16 -","- C68 H38 Cu3 N8 O16 -","- C68 H38 Cu3 N8 O16 -","1","0.5","IS2675","Wang, Xiao-Fang","Poly[bis(μ~2~-3-carboxybenzoato)bis(dipyrido[3,2-<i>a</i>;2',3'-<i>c</i>]phenazine)bis(μ~3~-isophthalato)tricopper(II)]","Acta Crystallographica Section E","2011","67","4","m447","","10.1107/S1600536811008993","","","0.71073","MoKα","","0.0452","0.0347","","","0.0916","0.0992","","","","","","1.054","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229711","7.5221","0.0015","18.282","0.004","9.1002","0.0018","90","","90.58","0.03","90","","1251.4","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-5-phenoxy-3-trifluoromethyl-1<i>H</i>-pyrazole-4-carbaldehyde oxime","","- C12 H10 F3 N3 O2 -","- C12 H10 F3 N3 O2 -","- C48 H40 F12 N12 O8 -","4","1","IS2677","Dai, Hong; Miao, Wen-Ke; Wu, Shan-Shan; Qin, Xue; Fang, Jian-Xin","1-Methyl-5-phenoxy-3-trifluoromethyl-1<i>H</i>-pyrazole-4-carbaldehyde oxime","Acta Crystallographica Section E","2011","67","4","o775","","10.1107/S1600536811007422","","","0.71073","MoKα","","0.0419","0.0369","","","0.0967","0.1007","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229712","6.5254","0.0002","12.8995","0.0002","16.9772","0.0005","90","","95.243","0.001","90","","1423.07","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Benzyl 5-hydroxy-4-oxapentacyclo[5.4.1.0^2,6^.0^3,10^.0^8,11^]dodecane-3-carboxylate","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","IS2678","Karpoormath, Rajshekhar; Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Benzyl 5-hydroxy-4-oxapentacyclo[5.4.1.0^2,6^.0^3,10^.0^8,11^]dodecane-3-carboxylate","Acta Crystallographica Section E","2011","67","4","o877","","10.1107/S1600536811009020","","","0.71073","MoKα","","0.0618","0.0482","","","0.1101","0.1185","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229713","10.583","0.0005","10.2189","0.0005","18.4509","0.0007","90","","114.147","0.002","90","","1820.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2-Methyl-4-phenylquinolin-3-yl)-3-phenylprop-2-en-1-one","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","IS2680","Loh, Wan-Sin; Fun, Hoong-Kun; Prasath, R.; Sarveswari, S.; Vijayakumar, V.","(<i>E</i>)-1-(2-Methyl-4-phenylquinolin-3-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o764","o765","10.1107/S1600536811007057","","","0.71073","MoKα","","0.0473","0.0419","","","0.1171","0.1252","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229714","13.548","0.003","9.2054","0.0018","12.549","0.003","90","","115.17","0.03","90","","1416.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquacobalt(II)]bis[μ-2-(4-carboxylatophenyl)-\ 4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl 3-oxide]]","","- C28 H36 Co N4 O10 -","- C28 H36 Co N4 O10 -","- C56 H72 Co2 N8 O20 -","2","0.5","IS2683","Rong, Rong; Gao, Ge; Zhu, Lili","<i>catena</i>-Poly[[diaquacobalt(II)]bis[μ-2-(4-carboxylatophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl 3-oxide]]","Acta Crystallographica Section E","2011","67","4","m488","","10.1107/S1600536811009925","","","0.71073","MoKα","","0.1197","0.0701","","","0.1478","0.1692","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229715","11.9109","0.0003","17.5018","0.0003","8.5365","0.0002","90","","94.96","0.001","90","","1772.87","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-Dibromo-3-phenyl-1-(3-phenylsydnon-4-yl)propan-1-one","4-(2,3-dibromo-3-phenylpropanoyl)-3-phenyl-1,2,3-oxadiazol-3-ylium-5-olate","","- C17 H12 Br2 N2 O3 -","- C17 H12 Br2 N2 O3 -","- C68 H48 Br8 N8 O12 -","4","1","IS2684","Fun, Hoong-Kun; Hemamalini, Madhukar; Nithinchandra; Kalluraya, Balakrishna","2,3-Dibromo-3-phenyl-1-(3-phenylsydnon-4-yl)propan-1-one","Acta Crystallographica Section E","2011","67","4","o814","","10.1107/S1600536811008026","","","0.71073","MoKα","","0.1282","0.0427","","","0.0808","0.1037","","","","","","0.983","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229716","9.4881","0.0003","11.035","0.0004","15.5254","0.0005","69.723","0.001","83.959","0.001","79.814","0.001","1499.06","0.09","100","0.1","100","","","","","","","","","5","P -1","-P 1","2","","[μ-1,6-Bis(diphenylarsanyl)hexane]bis[chloridogold(I)]","","- C30 H32 As2 Au2 Cl2 -","- C30 H32 As2 Au2 Cl2 -","- C60 H64 As4 Au4 Cl4 -","2","1","IS2685","bin Shawkataly, Omar; Tariq, Abu; Khan, Imthyaz Ahmad; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-1,6-Bis(diphenylarsanyl)hexane]bis[chloridogold(I)]","Acta Crystallographica Section E","2011","67","4","m427","m428","10.1107/S1600536811008646","","","0.71073","MoKα","","0.0343","0.0314","","","0.0856","0.088","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229717","11.5431","0.0007","8.74071","0.00016","8.9372","0.00016","90","","122.377","0.0007","90","","761.54","0.05","93.1","","93.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethane-1,2-diyl bis(benzenedithioate)","","- C16 H14 S4 -","- C16 H14 S4 -","- C32 H28 S8 -","2","0.5","IS2686","Abe, Daisuke; Sasanuma, Yuji; Sato, Hiroyasu","Ethane-1,2-diyl bis(benzenedithioate)","Acta Crystallographica Section E","2011","67","4","o961","","10.1107/S1600536811010245","","","1.54187","CuKα","","","0.0302","","","","0.0788","","","","","","1.135","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229718","10.5035","0.0002","13.2105","0.0004","7.1226","0.0002","90","","102.203","0.001","90","","965.98","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorobenzamido)acetic acid","","- C9 H8 Cl N O3 -","- C9 H8 Cl N O3 -","- C36 H32 Cl4 N4 O12 -","4","1","IS2688","Khan, Islam Ullah; Khan, Muneeb Hayat; Arshad, Muhammad Nadeem; Akkurt, Mehmet","2-(4-Chlorobenzamido)acetic acid","Acta Crystallographica Section E","2011","67","4","o916","","10.1107/S1600536811009536","","","0.71073","MoKα","","0.0627","0.0353","","","0.0845","0.0976","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229719","10.3263","0.0013","13.904","0.0016","17.622","0.002","91.314","0.006","99.245","0.006","101.968","0.006","2438.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')[hydrotris(3,5-diphenylpyrazol- 1-yl-κ<i>N</i>^2^)borato]nickel(II) bromide dichloromethane monosolvate","","- C56 H45 B Br Cl2 N9 Ni -","- C56 H45 B Br Cl2 N9 Ni -","- C112 H90 B2 Br2 Cl4 N18 Ni2 -","2","1","IS2690","Harding, David J.; Harding, Phimphaka; Adams, Harry","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')[hydrotris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)borato]nickel(II) bromide dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","4","m477","m478","10.1107/S1600536811010233","","","0.71073","MoKα","","0.0663","0.0545","","","0.1509","0.1608","","","","","","1.111","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229720","7.8024","0.0001","24.0261","0.0003","10.8211","0.0001","90","","108.848","0.001","90","","1919.76","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,3-Dibromo-3-(4-bromophenyl)-1-[3-(4-methoxyphenyl)sydnon-4-yl]propan-1-one","4-[2,3-dibromo-3-(4-bromophenyl)propanoyl]-3-(4-methoxyphenyl)- 1,2,3-oxadiazol-3-ylium-5-olate","","- C18 H13 Br3 N2 O4 -","- C18 H13 Br3 N2 O4 -","- C72 H52 Br12 N8 O16 -","4","1","IS2691","Fun, Hoong-Kun; Hemamalini, Madhukar; Nithinchandra; Kalluraya, Balakrishna","2,3-Dibromo-3-(4-bromophenyl)-1-[3-(4-methoxyphenyl)sydnon-4-yl]propan-1-one","Acta Crystallographica Section E","2011","67","4","o951","","10.1107/S1600536811010002","","","0.71073","MoKα","","0.0854","0.0407","","","0.0879","0.1009","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229721","10.121","0.0004","10.5065","0.0004","19.637","0.0006","90","","114.55","0.002","90","","1899.36","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(<i>p</i>-Tolyl)-4-{3-[(phenylamino)methyl]-7<i>H</i>-[1,2,4]triazolo[3,4-\ <i>b</i>][1,3,4]thiadiazin-6-yl}sydnone","3-(4-methylphenyl)-4-{3-[(phenylamino)methyl]- 7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-6-yl}-1,2,3- oxadiazol-3-ium-5-olate","","- C20 H17 N7 O2 S -","- C20 H17 N7 O2 S -","- C80 H68 N28 O8 S4 -","4","1","IS2692","Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna","3-(<i>p</i>-Tolyl)-4-{3-[(phenylamino)methyl]-7<i>H</i>-[1,2,4]triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-6-yl}sydnone","Acta Crystallographica Section E","2011","67","4","o1005","o1006","10.1107/S1600536811010786","","","0.71073","MoKα","","0.047","0.038","","","0.1019","0.1087","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229722","11.3091","0.0002","14.9442","0.0003","24.6045","0.0005","90","","90","","90","","4158.29","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,5-Diamino-1,2‒4 triazolium-bis(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium (6-carboxypyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate","","- C16 H19 Cu N7 O11 -","- C16 H19 Cu N7 O11 -","- C128 H152 Cu8 N56 O88 -","8","1","IS2693","Yousuf, S.; Johnson, A. S.; Kazmi, S. A.; Offiong, O. E.; Fun, Hoong-Kun","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium (6-carboxypyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate","Acta Crystallographica Section E","2011","67","4","m509","m510","10.1107/S1600536811011147","","","0.71073","MoKα","","0.0649","0.0386","","","0.0866","0.0976","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229723","11.34","0.002","6.835","0.0007","20.449","0.004","90","","117.71","0.004","90","","1403.2","0.4","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","JH2240","Thippeswamy, G. B.; Vijay Kumar, D.; Jayashree, B. S.; Sridhar, M. A.; Shashidhara Prasad, J.","1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o829","","10.1107/S1600536811007586","","","0.71073","MoKα","","0.0875","0.0565","","","0.1526","0.1836","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229724","9.7373","0.001","9.4468","0.001","21.28","0.002","90","","101.229","0.002","90","","1920","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>meso</i>-[5,10,15,20-Tetrakis(4-cyanophenyl)porphyrinato]zinc","","- C48 H24 N8 Zn -","- C48 H24 N8 Zn -","- C96 H48 N16 Zn2 -","2","0.5","JH2269","Dong, Shuai; Jiang, Jianzhuang","<i>meso</i>-[5,10,15,20-Tetrakis(4-cyanophenyl)porphyrinato]zinc","Acta Crystallographica Section E","2011","67","4","m431","","10.1107/S160053681100849X","","","0.71073","MoKα","","0.0536","0.0385","","","0.1029","0.1088","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229725","7.932","0.004","8.804","0.004","13.316","0.006","92.601","0.007","100.448","0.007","91.378","0.007","913","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-benzamido-5-phenyl-4<i>H</i>-1,2,4-triazole-3-carboxylate monohydrate","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","1","JH2270","Wang, Li; Liu, Xue-Ying; Wang, Ping-An; Liu, Peng; Zhang, Sheng-Yong","Ethyl 4-benzamido-5-phenyl-4<i>H</i>-1,2,4-triazole-3-carboxylate monohydrate","Acta Crystallographica Section E","2011","67","4","o949","","10.1107/S1600536811009998","","","0.71073","MoKα","","0.0957","0.0617","","","0.1728","0.2095","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229726","7.6132","0.0006","14.3779","0.0016","7.9396","0.0008","90","","97.799","0.001","90","","861.04","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethyl-1<i>H</i>-imidazole-4-carboxylate monohydrate","","- C7 H10 N2 O5 -","- C7 H10 N2 O5 -","- C28 H40 N8 O20 -","4","1","JH2272","Li, Shi-Jie; Liu, Juan-Hua; Song, Wen-Dong; Li, Xiao-Fei; Miao, Dong-Liang","2-Ethyl-1<i>H</i>-imidazole-4-carboxylate monohydrate","Acta Crystallographica Section E","2011","67","4","o996","o997","10.1107/S1600536811010774","","","0.71073","MoKα","","0.0531","0.0381","","","0.0941","0.1061","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229727","6.7545","0.0006","16.694","0.0013","7.4527","0.0004","90","","110.64","0.007","90","","786.42","0.11","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(2-Nitroprop-1-enyl)thiophene","","- C7 H7 N O2 S -","- C7 H7 N O2 S -","- C28 H28 N4 O8 S4 -","4","1","JH2274","Li, Zhao-Bo; Shen, Li-Li; Li, Jia-Jia","(<i>E</i>)-2-(2-Nitroprop-1-enyl)thiophene","Acta Crystallographica Section E","2011","67","4","o983","","10.1107/S1600536811010622","","","0.71073","MoKα","","0.0748","0.0492","","","0.138","0.1696","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229728","8.7137","0.0017","8.7948","0.0018","14.56","0.003","90","","98.75","0.03","90","","1102.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1,1'-methylenebis(1<i>H</i>-imidazole)- κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[dichloridocobalt(II)]","","- C14 H16 Cl4 Co2 N8 -","- C14 H16 Cl4 Co2 N8 -","- C28 H32 Cl8 Co4 N16 -","2","0.5","JH2275","Feng, Miao; Mi, Huai-Feng; Hu, Tong-Liang","Bis[μ-1,1'-methylenebis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[dichloridocobalt(II)]","Acta Crystallographica Section E","2011","67","4","m491","","10.1107/S1600536811010610","","","0.71073","MoKα","","0.0571","0.0402","","","0.0702","0.0748","","","","","","1.128","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229729","12.709","0.004","27.82","0.006","14.448","0.003","90","","101.254","0.019","90","","5010","2","298","1","298","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2<i>SR</i>,3<i>RS</i>)-Methyl 2-(adamantan-1-yl)-3-phenylsulfonyl-3-(pyridin-2-ylsulfanyl)propanoate dichloromethane hemisolvate","","- C25.5 H30 Cl N O4 S2 -","- C25.5 H30 Cl N O4 S2 -","- C204 H240 Cl8 N8 O32 S16 -","8","1","JJ2070","Meza-León, Rosa-Luisa; Bernès, Sylvain; Ramírez Domínguez, Elsie; Sosa-Rivadeneyra, Martha; Quintero-Cortés, Leticia","(2<i>SR</i>,3<i>RS</i>)-Methyl 2-(adamantan-1-yl)-3-phenylsulfonyl-3-(pyridin-2-ylsulfanyl)propanoate dichloromethane hemisolvate","Acta Crystallographica Section E","2011","67","4","o981","o982","10.1107/S1600536811010312","","","0.71073","MoKα","","0.0911","0.0543","","","0.1298","0.1537","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229730","16.641","0.003","13.616","0.002","23.238","0.004","90","","90","","90","","5265.4","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-<i>N</i>,2-\ dioxidobenzene-1-carboximidato)pentacopper(II)","","- C50 H70 Cu5 N8 O14 -","- C50 H70 Cu5 N8 O14 -","- C200 H280 Cu20 N32 O56 -","4","0.5","JJ2076","Herring, Jacob; Zeller, Matthias; Zaleski, Curtis M.","Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentacopper(II)","Acta Crystallographica Section E","2011","67","4","m419","m420","10.1107/S1600536811007975","","","0.71073","MoKα","","0.0635","0.0427","","","0.0958","0.1037","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229731","10.1103","0.0004","10.7023","0.0004","23.9258","0.0009","98.137","0.003","90.496","0.003","115.563","0.003","2304.86","0.17","296","","296","","","","","","","","","6","P -1","-P 1","2","","Bis[bis(diphenylthiophosphinyl)amido-κ^2^<i>S</i>,<i>S</i>']platinum(II)","","- C48 H40 N2 P4 Pt S4 -","- C48 H40 N2 P4 Pt S4 -","- C96 H80 N4 P8 Pt2 S8 -","2","1","JJ2077","Güzelsoylu, Cemal; Irişli, Sevil; Büyükgüngör, Orhan","Bis[bis(diphenylthiophosphinyl)amido-κ^2^<i>S</i>,<i>S</i>']platinum(II)","Acta Crystallographica Section E","2011","67","4","m479","","10.1107/S1600536811010117","","","0.71073","MoKα","","0.0293","0.0262","","","0.0644","0.0656","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229732","5.583","0.0004","26.879","0.002","9.1092","0.0007","90","","93.762","0.001","90","","1364.03","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Cyclohexylsulfonyl-5-fluoro-2-methyl-1-benzofuran","","- C15 H17 F O3 S -","- C15 H17 F O3 S -","- C60 H68 F4 O12 S4 -","4","1","JJ2079","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-Cyclohexylsulfonyl-5-fluoro-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o847","","10.1107/S1600536811008580","","","0.71073","MoKα","","0.0481","0.0405","","","0.1019","0.1064","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229733","10.309","0.006","9.289","0.006","16.521","0.009","90","","94.84","0.02","90","","1576.4","1.6","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(η^3^-2-<i>tert</i>-butyl-1-trimethylsilyl-3-phenyl-1-azaallyl)nickel(II)","","- C30 H48 N2 Ni Si2 -","- C30 H48 N2 Ni Si2 -","- C60 H96 N4 Ni2 Si4 -","2","0.5","JJ2080","Hao, Junsheng; Liu, Haimei; Yuan, Hai-Yan","Bis(η^3^-2-<i>tert</i>-butyl-1-trimethylsilyl-3-phenyl-1-azaallyl)nickel(II)","Acta Crystallographica Section E","2011","67","4","m469","","10.1107/S1600536811009469","","","0.71073","MoKα","","0.1083","0.0956","","","0.1811","0.1861","","","","","","1.357","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229734","9.4231","0.0011","25.475","0.002","8.3463","0.0007","90","","111.99","0.001","90","","1857.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxyethanaminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate","","- C12 H15 Br4 N O6 -","- C12 H15 Br4 N O6 -","- C48 H60 Br16 N4 O24 -","4","1","KJ2169","Li, Jian","2-Hydroxyethanaminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate","Acta Crystallographica Section E","2011","67","4","o866","","10.1107/S160053681100852X","","","0.71073","MoKα","","0.1209","0.0437","","","0.0632","0.0713","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229735","7.4242","0.0017","17.709","0.004","12.927","0.003","90","","96.493","0.003","90","","1688.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(2-Bromo-5-hydroxy-4-methoxybenzylidene)-3,5-dihydroxybenzohydrazide methanol monosolvate","","- C16 H17 Br N2 O6 -","- C16 H17 Br N2 O6 -","- C64 H68 Br4 N8 O24 -","4","1","KJ2170","Wang, Zong-Gui; Yuan, Ling; Zhou, Li; Nan, Yi","<i>N</i>'-(2-Bromo-5-hydroxy-4-methoxybenzylidene)-3,5-dihydroxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","4","o841","","10.1107/S1600536811008695","","","0.71073","MoKα","","0.0755","0.0433","","","0.0993","0.1107","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229736","10.7244","0.0008","8.9653","0.0006","6.8742","0.0005","90","","95.539","0.006","90","","657.85","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tri-μ-formato-cobalt(II)potassium]","","- C3 H3 Co K O6 -","- C3 H3 Co K O6 -","- C12 H12 Co4 K4 O24 -","4","0.5","KJ2172","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Polymeric potassium triformatocobalt(II)","Acta Crystallographica Section E","2011","67","4","m422","","10.1107/S1600536811008737","","","0.71073","MoKα","","0.0223","0.0199","","","0.0454","0.0463","","","","","","1.15","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229737","9.3482","0.0019","10.948","0.002","12.071","0.002","76.71","0.03","86.64","0.03","78.27","0.03","1177.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Benzylaminium perchlorate‒18-crown-6 (1/1)","Benzylaminium perchlorate‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C19 H34 Cl N O10 -","- C19 H34 Cl N O10 -","- C38 H68 Cl2 N2 O20 -","2","1","KP2306","Wang, Wen-zhe; Li, Xiu-juan; Wang, Na","Benzylaminium perchlorate‒18-crown-6 (1/1)","Acta Crystallographica Section E","2011","67","4","o772","","10.1107/S1600536811007082","","","0.71073","MoKα","","0.0898","0.0577","","","0.1391","0.157","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229738","6.9466","0.0007","15.7237","0.0015","12.1785","0.0013","90","","94.903","0.005","90","","1325.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-2-<i>tert</i>-Butyl-2,4,5,6,6-pentachlorocyclohex-3-en-1-one","","- C10 H11 Cl5 O -","- C10 H11 Cl5 O -","- C40 H44 Cl20 O4 -","4","1","KP2308","Maharramov, Abel M.; Allahverdiyev, Mirza A.; Mammadov, Elmar Y.; Askerova, Ayten R.; Rashidov, Bahruz A.","<i>rac</i>-2-<i>tert</i>-Butyl-2,4,5,6,6-pentachlorocyclohex-3-en-1-one","Acta Crystallographica Section E","2011","67","4","o881","","10.1107/S160053681100897X","","","0.71073","MoKα","","0.0383","0.0314","","","0.0773","0.0819","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229739","9.2014","0.0003","10.2563","0.0004","11.1105","0.0004","80.564","0.002","66.317","0.002","71.825","0.002","911.41","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Cyclohexyl-3-(4-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C21 H21 F O3 S -","- C21 H21 F O3 S -","- C42 H42 F2 O6 S2 -","2","1","KP2311","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-3-(4-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o767","","10.1107/S1600536811006593","","","0.71073","MoKα","","0.0454","0.0388","","","0.1016","0.106","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229740","14.2315","0.0002","8.0292","0.0001","13.6027","0.0002","90","","110.053","0.0014","90","","1460.12","0.04","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","KP2312","Jasinski, Jerry P.; Butcher, Ray J.; Musthafa Khaleel, V.; Sarojini, B. K.; Yathirajan, H. S.","(<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o845","","10.1107/S1600536811008361","","","1.54184","CuKα","","0.0567","0.0476","","","0.1457","0.1521","","","","","","1.115","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229741","8.1673","0.0016","9.6908","0.0019","8.0248","0.0016","90","","97.08","0.03","90","","630.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ~3~-pyridazine-4-carboxylato- κ^2^<i>O</i>:<i>O</i>:<i>O</i>')lithium]","","- C5 H5 Li N2 O3 -","- C5 H5 Li N2 O3 -","- C20 H20 Li4 N8 O12 -","4","1","KP2313","Starosta, Wojciech; Leciejewicz, Janusz","Poly[aqua(μ~3~-pyridazine-4-carboxylato-κ^2^<i>O</i>:<i>O</i>:<i>O</i>')lithium]","Acta Crystallographica Section E","2011","67","4","m425","m426","10.1107/S1600536811008634","","","0.71073","MoKα","","0.0814","0.0394","","","0.1108","0.1284","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229742","6.3525","0.0003","10.0192","0.0004","16.4654","0.0007","77.723","0.002","81.87","0.002","78.108","0.002","996.8","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","[3-Hydroxymethyl-1,4-bis(4-methylphenyl)naphthalen-2-yl]methanol","","- C26 H24 O2 -","- C26 H24 O2 -","- C52 H48 O4 -","2","1","LD2002","Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","[3-Hydroxymethyl-1,4-bis(4-methylphenyl)naphthalen-2-yl]methanol","Acta Crystallographica Section E","2011","67","4","o931","","10.1107/S160053681100986X","","","0.71073","MoKα","","0.0576","0.0445","","","0.1224","0.1332","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229743","8.981","0.002","9.044","0.002","13.685","0.001","95.373","0.01","102.433","0.01","100.03","0.02","1058.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-(3<i>S</i>,4<i>S</i>)-3-Hydroxy-4-phenyl-1-[(<i>S</i>)-(3-phenyl- 4,5-dihydro-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1<i>H</i>-1,5-benzodiazepin- 2(3<i>H</i>)-one","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C50 H46 N6 O6 -","2","1","LD2003","Rida, Mohamed; Essassi, El Mokhtar; Massip, Stéphane; Lazar, Saïd; Zouihri, Hafid","<i>rac</i>-(3<i>S</i>,4<i>S</i>)-3-Hydroxy-4-phenyl-1-[(<i>S</i>)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","4","o945","o946","10.1107/S1600536811010129","","","1.5418","CuKα","","0.0545","0.0503","","","0.1527","0.1573","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229744","8.3816","0.0006","23.1651","0.0013","12.8548","0.0007","90","","91.171","0.003","90","","2495.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-(4-Methoxyphenyl)-4,9-dimethyl-<i>N</i>-(4-methylphenyl)-5,12-\ diazatetraphen-6-amine","7-(4-Methoxyphenyl)-4,9-dimethyl-<i>N</i>-(4-methylphenyl)-5,12- diazabenz[<i>a</i>]anthracen-6-amine","","- C32 H27 N3 O -","- C32 H27 N3 O -","- C128 H108 N12 O4 -","4","1","LH5193","Vennila, K. N.; Prabha, K.; Prasad, K. J. Rajendra; Velmurugan, D.","7-(4-Methoxyphenyl)-4,9-dimethyl-<i>N</i>-(4-methylphenyl)-5,12-diazatetraphen-6-amine","Acta Crystallographica Section E","2011","67","4","o762","o763","10.1107/S1600536811006209","","","0.71073","MoKα","","0.0892","0.0528","","","0.1474","0.181","","","","","","0.952","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229745","12.7918","0.0006","13.7842","0.0007","16.0902","0.0008","90","","90","","90","","2837.1","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane- 3,6,12,25-tetraol","","- C30 H52 O5 -","- C30 H52 O5 -","- C120 H208 O20 -","4","1","LH5198","Zhang, Lei; Guo, Huan-Mei; Li, Wen-Juan; Gao, Yi-Jun; Meng, Qing-Guo","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane-3,6,12,25-tetraol","Acta Crystallographica Section E","2011","67","4","o846","","10.1107/S1600536811008609","","","0.71073","MoKα","","0.0443","0.0416","","","0.1107","0.1134","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229746","5.9435","0.0004","11.3494","0.0012","14.3414","0.0015","90.755","0.001","97.901","0.001","101.651","0.002","937.64","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Cyclohexanaminium 3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate","","- C15 H17 Cl4 N O4 -","- C15 H17 Cl4 N O4 -","- C30 H34 Cl8 N2 O8 -","2","1","LH5210","Li, Jian","Cyclohexanaminium 3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate","Acta Crystallographica Section E","2011","67","4","o842","","10.1107/S1600536811008531","","","0.71073","MoKα","","0.0874","0.0495","","","0.1094","0.1355","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229747","8.1909","0.0008","13.5551","0.0012","19.5082","0.0016","90","","90.371","0.001","90","","2165.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylanilinium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate","","- C17 H17 Br4 N O5 -","- C17 H17 Br4 N O5 -","- C68 H68 Br16 N4 O20 -","4","1","LH5212","Li, Jian","2-Methylanilinium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate","Acta Crystallographica Section E","2011","67","4","o900","","10.1107/S1600536811008543","","","0.71073","MoKα","","0.0722","0.0371","","","0.0651","0.0724","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229748","24.1384","0.0008","10.0371","0.0004","14.4408","0.0005","90","","105.846","0.0007","90","","3365.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3,6,6-Tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9- octahydro-1<i>H</i>-xanthen-9-yl)pyridin-2-yl]-2,3,4,5,6,7,8,9-octahydro- 1<i>H</i>-xanthene-1,8-dione","","- C39 H45 N O6 -","- C39 H45 N O6 -","- C156 H180 N4 O24 -","4","1","LH5213","Abdelhamid, Antar A.; Mohamed, Shaaban Kamel; Allahverdiyev, Mirze A.; Gurbanov, Atash V.; Ng, Seik Weng","3,3,6,6-Tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthen-9-yl)pyridin-2-yl]-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2011","67","4","o785","","10.1107/S1600536811007318","","","0.71073","MoKα","","0.0509","0.0405","","","0.103","0.1109","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229749","10.297","0.0003","10.0817","0.0003","33.5158","0.0011","90","","90","","90","","3479.32","0.18","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1,3-Benzothiazol-2-yl)guanidine","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C128 H128 N64 S16 -","16","2","LH5214","Mohamed, Shaaban Kamel; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Gurbanov, Atash V.; Ng, Seik Weng","2-(1,3-Benzothiazol-2-yl)guanidine","Acta Crystallographica Section E","2011","67","4","o786","","10.1107/S160053681100732X","","","0.71073","MoKα","","0.0487","0.0394","","","0.1023","0.1111","","","","","","1.127","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229750","6.2484","0.0016","21.478","0.006","16.331","0.004","90","","94.94","0.004","90","","2183.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dicyano-4-[(4-methylphenylsulfonyl)oxy]phenyl 4-methylbenzenesulfonate","","- C22 H16 N2 O6 S2 -","- C22 H16 N2 O6 S2 -","- C88 H64 N8 O24 S8 -","4","1","LH5215","Deng, Yanhua; Ma, Changqin; Zhang, Xiaomei","2,3-Dicyano-4-[(4-methylphenylsulfonyl)oxy]phenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","4","o895","","10.1107/S1600536811009160","","","0.71073","MoKα","","0.0426","0.0344","","","0.0913","0.0977","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229751","11.9861","0.0017","7.709","0.0011","14.132","0.002","90","","101.034","0.002","90","","1281.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl-7-[2-(1<i>H</i>-1,2,4-triazol-1-yl)ethoxy]-2<i>H</i>-chromen-2-one","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","LH5217","Zhang, Yi-Yi; Shi, Yuan; Zhou, Cheng-He","4-Methyl-7-[2-(1<i>H</i>-1,2,4-triazol-1-yl)ethoxy]-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","4","o892","","10.1107/S1600536811009159","","","0.71073","MoKα","","0.0413","0.0372","","","0.0932","0.0965","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229752","7.1159","0.0004","9.995","0.0005","10.5803","0.0005","103.057","0.004","96.327","0.004","103.488","0.004","702.21","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-[(4-methylphenyl)iminomethyl]-2-naphtholato- κ^2^<i>N</i>,<i>O</i>}nickel(II)","","- C36 H28 N2 Ni O2 -","- C36 H28 N2 Ni O2 -","- C36 H28 N2 Ni O2 -","1","0.5","LH5218","Wang, Quanbo; Jiang, Jianzhuang; Zhu, Peihua","Bis{1-[(4-methylphenyl)iminomethyl]-2-naphtholato-κ^2^<i>N</i>,<i>O</i>}nickel(II)","Acta Crystallographica Section E","2011","67","4","m470","","10.1107/S1600536811010087","","","0.71073","MoKα","","0.0344","0.0286","","","0.0722","0.0736","","","","","","1.071","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229753","6.5372","0.0005","12.3141","0.001","23.0274","0.0019","90","","90","","90","","1853.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(2-amino-3-carboxypyridinium) sulfate trihydrate","","- C12 H20 N4 O11 S -","- C12 H20 N4 O11 S -","- C48 H80 N16 O44 S4 -","4","1","LH5219","Berrah, Fadila; Ouakkaf, Amira; Bouacida, Sofiane; Roisnel, Thierry","Bis(2-amino-3-carboxypyridinium) sulfate trihydrate","Acta Crystallographica Section E","2011","67","4","o953","o954","10.1107/S1600536811010191","","","0.71073","MoKα","","0.0408","0.0307","","","0.0729","0.0785","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229754","7.4255","0.0004","7.6613","0.0004","16.151","0.0009","90","","98.16","0.005","90","","909.51","0.09","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-picryl(phenylazo)aniline","2,4,6-Trinitro-<i>N</i>-[4-(phenyldiazenyl)phenyl]aniline","","- C18 H12 N6 O6 -","- C18 H12 N6 O6 -","- C36 H24 N12 O12 -","2","1","LH5220","Smith, Graham; Wermuth, Urs D.","2,4,6-Trinitro-<i>N</i>-[4-(phenyldiazenyl)phenyl]aniline","Acta Crystallographica Section E","2011","67","4","o948","","10.1107/S160053681101004X","","","0.71073","MoKα","","0.0824","0.0371","","","0.0516","0.0576","","","","","","0.861","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229755","7.2342","0.0002","6.3815","0.0002","9.9419","0.0004","90","","92.216","0.002","90","","458.63","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-rhododendrol","(2<i>S</i>)-4-(4-hydroxyphenyl)butan-2-ol","","- C10 H14 O2 -","- C10 H14 O2 -","- C20 H28 O4 -","2","1","LH5221","Yousuf, S.; Musharraf, S. G.; Khan, I.; Samiullah; Fun, Hoong-Kun","Absolute configuration of (2<i>S</i>)-4-(4-hydroxyphenyl)butan-2-ol","Acta Crystallographica Section E","2011","67","4","o952","","10.1107/S1600536811010026","","","1.54178","CuKα","","0.0292","0.029","","","0.0748","0.075","","","","","","1.081","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229756","8.388","0.002","5.208","0.003","18.468","0.004","90","","112.84","0.02","90","","743.5","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Aminopyrimidinium hydrogen sulfate","","- C4 H7 N3 O4 S -","- C4 H7 N3 O4 S -","- C16 H28 N12 O16 S4 -","4","1","LH5222","Elboulali, Adel; Akriche, Samah Toumi; Al-Deyab, Salem S.; Rzaigui, Mohamed","2-Aminopyrimidinium hydrogen sulfate","Acta Crystallographica Section E","2011","67","4","o1013","","10.1107/S1600536811011123","","","0.56087","AgKα","","0.0899","0.0559","","","0.1412","0.1586","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229757","6.3842","0.0003","10.0832","0.0005","17.1563","0.0008","104.873","0.001","93.507","0.001","98.189","0.001","1050.99","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","4-({[4-Amino-6-(p-bromobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl] sulfanyl}acetyl)-3-phenylsydnone","4-({[4-Amino-6-(<i>p</i>-bromobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl] sulfanyl}acetyl)-3-phenylsydnone","","- C20 H15 Br N6 O4 S -","- C20 H15 Br N6 O4 S -","- C40 H30 Br2 N12 O8 S2 -","2","1","LH5224","Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna","4-({[4-Amino-6-(<i>p</i>-bromobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone","Acta Crystallographica Section E","2011","67","4","o1004","","10.1107/S1600536811010798","","","0.71073","MoKα","","0.0423","0.0324","","","0.084","0.0893","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229758","11.5318","0.0005","8.0597","0.0002","15.6134","0.0007","90","","118.157","0.003","90","","1279.42","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Iodophenyl)isoindoline-1,3-dione","","- C14 H8 I N O2 -","- C14 H8 I N O2 -","- C56 H32 I4 N4 O8 -","4","1","LW2057","Demirtaş, Güneş; Dege, Necmi; Alaman Ağar, Ayşen; Büyükgüngör, Orhan","2-(2-Iodophenyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","4","o857","","10.1107/S1600536811006544","","","0.71073","MoKα","","0.0317","0.0307","","","0.0771","0.0779","","","","","","1.109","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229759","9.1609","0.0008","15.5398","0.0013","11.725","0.001","90","","108.892","0.001","90","","1579.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Methylphenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","LW2058","Ma, Ling; Lu, Liping; Zhu, Miaoli","2-(4-Methylphenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline","Acta Crystallographica Section E","2011","67","4","o864","o865","10.1107/S1600536811008853","","","0.71073","MoKα","","0.0513","0.0373","","","0.0928","0.1065","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229760","7.9707","0.0016","31.874","0.006","10.863","0.002","90","","107.24","0.03","90","","2635.8","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","2-Chloro-<i>N</i>-{5-[(4<i>R</i>,5<i>R</i>,10<i>S</i>)-dehydroabietyl]-1,3,4- thiadiazol-2-yl}benzamide","2-Chloro-<i>N</i>-{5-[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-isopropyl-1,4a- dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-1,3,4- thiadiazol-2-yl}benzamide","","- C28 H32 Cl N3 O S -","- C28 H32 Cl N3 O S -","- C112 H128 Cl4 N12 O4 S4 -","4","2","LX2187","Mo, Qijin; Duan, Wengui; Ma, Xianli; Huang, Jianxin; Ma, Zhen","2-Chloro-<i>N</i>-{5-[(4<i>R</i>,5<i>R</i>,10<i>S</i>)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide","Acta Crystallographica Section E","2011","67","4","o816","o817","10.1107/S1600536811007665","","","0.71073","MoKα","","0.0723","0.0451","","","0.0969","0.1047","","","","","","1.011","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229761","6.144","0.003","5.342","0.001","30.595","0.002","90","","94.8","0.05","90","","1000.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaquabis[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetato]zinc","","- C18 H20 N2 O12 Zn -","- C18 H20 N2 O12 Zn -","- C36 H40 N4 O24 Zn2 -","2","0.5","MW2002","Ashurov, Jamshid; Karimova, Gavhar; Mukhamedov, Nasir; Parpiev, Nusrat A.; Ibragimov, Bakhtijar","Tetraaquabis[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetato]zinc","Acta Crystallographica Section E","2011","67","4","m432","","10.1107/S1600536811007999","","","1.5418","CuKα","","0.0859","0.053","","","0.1383","0.1497","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229762","6.3021","0.0003","9.0481","0.0004","27.3935","0.0017","90","","90","","90","","1562.03","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(4-Methoxyanthracen-1-yl)-2-phenyldiazene","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","NC2221","Crochet, Aurelien; Fromm, Katharina M.; Kurteva, Vanya; Antonov, Liudmil","(<i>E</i>)-1-(4-Methoxyanthracen-1-yl)-2-phenyldiazene","Acta Crystallographica Section E","2011","67","4","o993","","10.1107/S1600536811010932","","","0.71073","MoKα","","0.066","0.0474","","","0.0818","0.0864","","","","","","1.099","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229763","9.7697","0.0009","10.2197","0.0009","20.2404","0.0018","90","","96.605","0.001","90","","2007.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","<i>N</i>-(2-Fluorobenzoyl)-<i>N</i>',<i>N</i>''-bis(4-methylphenyl)phosphoric triamide","<i>N</i>-{bis[(4-methylphenyl)amino]phosphoryl}-2-fluorobenzamide","","- C21 H21 F N3 O2 P -","- C21 H21 F N3 O2 P -","- C84 H84 F4 N12 O8 P4 -","4","1","NC2222","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","<i>N</i>-(2-Fluorobenzoyl)-<i>N</i>',<i>N</i>''-bis(4-methylphenyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","4","o934","","10.1107/S1600536811009640","","","0.71073","MoKα","","0.0683","0.0458","","","0.1176","0.1274","","","","","","1.051","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229764","13.7157","0.0015","5.9719","0.0007","25.874","0.003","90","","91.551","0.002","90","","2118.5","0.4","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Triaquabis[4-(methoxycarbonyl)benzoato-κ<i>O</i>^1^]zinc(II) dihydrate","","- C18 H24 O13 Zn -","- C18 H24 O13 Zn -","- C72 H96 O52 Zn4 -","4","0.5","NC2223","Şerb, Mihaela-Diana; Wang, Yutian; Dumitru, Florina; Englert, Ulli","Triaquabis[4-(methoxycarbonyl)benzoato-κ<i>O</i>^1^]zinc dihydrate","Acta Crystallographica Section E","2011","67","4","m475","m476","10.1107/S1600536811010269","","","0.71073","MoKα","","0.0348","0.032","","","0.0804","0.0827","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229765","14.0353","0.0013","10.3081","0.0009","10.267","0.0009","90","","111.034","0.002","90","","1386.4","0.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N'</i>)copper(II)]- di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C14 H8 Cu N4 S2 -","- C14 H8 Cu N4 S2 -","- C56 H32 Cu4 N16 S8 -","4","0.5","NG5084","Zhang, Shi-Shen; Chen, Li-Jiang; Han, Yi-Feng","A second polymorph of <i>catena</i>-poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2011","67","4","m398","","10.1107/S1600536811001759","","","0.71073","MoKα","","0.0292","0.0273","","","0.0751","0.0764","","","","","","1.082","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229766","6.5632","0.0004","7.0872","0.0004","22.0276","0.0014","85.819","0.002","86.873","0.002","68.313","0.002","949.13","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-[(Dodecylsulfanyl)carbonothioylsulfanyl]propanoic acid","","- C16 H30 O2 S3 -","- C16 H30 O2 S3 -","- C32 H60 O4 S6 -","2","1","NG5117","Xiao, Shude; Charpentier, Paul A.","2-[(Dodecylsulfanyl)carbonothioylsulfanyl]propanoic acid","Acta Crystallographica Section E","2011","67","4","o811","","10.1107/S1600536811007963","","","0.71073","MoKα","","0.0488","0.0354","","","0.0914","0.0983","","","","","","1.081","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229767","5.9645","0.0002","18.5497","0.0004","9.0494","0.0002","90","","90","","90","","1001.22","0.05","120","","120","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4,4'-Dibromo-2,2'-{[(3a<i>S</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro- 1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylidene)}diphenol","","- C21 H24 Br2 N2 O2 -","- C21 H24 Br2 N2 O2 -","- C42 H48 Br4 N4 O4 -","2","0.5","NG5118","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","4,4'-Dibromo-2,2'-{[(3a<i>S</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylidene)}diphenol","Acta Crystallographica Section E","2011","67","4","o753","","10.1107/S1600536811006489","","","1.54184","CuKα","","0.0146","0.0145","","","0.049","0.0493","","","","","","1.21","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2229768","6.682","0.005","9.347","0.005","11.078","0.005","99.213","0.005","102.74","0.005","97.767","0.005","655.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Amino-3,4-dimethyl-4-phenyl-2<i>H</i>,4<i>H</i>-pyrano[2,3-<i>c</i>]pyrazole- 5-carbonitrile","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C30 H28 N8 O2 -","2","1","NG5120","Topno, Nishith Saurav; Kumaravel, Kandhasamy; Kannan, M.; Vasuki, Gnanasambandam; Krishna, R.","6-Amino-3,4-dimethyl-4-phenyl-2<i>H</i>,4<i>H</i>-pyrano[2,3-<i>c</i>]pyrazole-5-carbonitrile","Acta Crystallographica Section E","2011","67","4","o956","","10.1107/S1600536811009354","","","0.71069","MoKα","","0.0955","0.0569","","","0.1462","0.173","","","","","","0.985","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229769","11.9075","0.0006","4.0523","0.0002","25.8065","0.0015","90","","98.326","0.003","90","","1232.11","0.11","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","<i>N</i>,<i>N'</i>-bis(5-Bromopyridin-2-yl)methanediamine","5-bromo-<i>N</i>-{[(5-bromopyridin-2-yl)amino]methyl}pyridin-2-amine","","- C11 H10 Br2 N4 -","- C11 H10 Br2 N4 -","- C44 H40 Br8 N16 -","4","0.5","NG5123","Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu","<i>N</i>,<i>N</i>'-Bis(5-bromopyridin-2-yl)methanediamine","Acta Crystallographica Section E","2011","67","4","o833","","10.1107/S160053681100821X","","","0.71073","MoKα","","0.0245","0.0194","","","0.0488","0.0508","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229770","8.0817","0.0003","11.5661","0.0004","11.6295","0.0004","90","","117.168","0.002","90","","967.12","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-1,3-selenazole-4-carboxylic acid","","- C10 H7 N O2 Se -","- C10 H7 N O2 Se -","- C40 H28 N4 O8 Se4 -","4","1","NG5124","Shen, Jin-Bei; Lv, Xin; Chen, Ji-Fei; Zhou, Yu-Feng; Zhao, Guo-Liang","2-Phenyl-1,3-selenazole-4-carboxylic acid","Acta Crystallographica Section E","2011","67","4","o803","","10.1107/S1600536811007185","","","0.71073","MoKα","","0.0294","0.0239","","","0.0611","0.0631","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229771","8.7529","0.0008","18.0411","0.0016","15.4489","0.0013","90","","98.181","0.002","90","","2414.7","0.4","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1',1''-Dimethyl-4'-(naphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene- 2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C128 H112 N8 O8 -","4","1","NG5125","Selvanayagam, S.; Ravikumar, K.; Saravanan, P.; Raghunathan, R.","1',1''-Dimethyl-4'-(naphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione","Acta Crystallographica Section E","2011","67","4","o751","","10.1107/S1600536811007124","","","0.71073","MoKα","","0.073","0.0553","","","0.1311","0.1413","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229772","9.0204","0.0002","9.307","0.0002","9.4087","0.0002","87.417","0.001","82.01","0.001","65.693","0.001","712.81","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[2-methoxy-6-(phenyliminiomethyl)phenolate- κ^2^<i>O</i>,<i>O</i>']bis(thiocyanato-κ<i>N</i>)manganese(II)","","- C30 H26 Mn N4 O4 S2 -","- C30 H26 Mn N4 O4 S2 -","- C30 H26 Mn N4 O4 S2 -","1","0.5","NG5130","Shen, Jin-Bei; Ge, Guo-Di; Zhao, Guo-Liang","Bis[2-methoxy-6-(phenyliminiomethyl)phenolate-κ^2^<i>O</i>,<i>O</i>']bis(thiocyanato-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2011","67","4","m463","","10.1107/S1600536811009330","","","0.71073","MoKα","","0.0323","0.0278","","","0.0742","0.0769","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229773","10.083","0.002","9.4713","0.0019","11.708","0.002","90","","94.87","0.03","90","","1114.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[2-(Hydrogen phosphonato)-2-hydroxy-2-phosphonoethyl]pyridinium","","- C7 H11 N O7 P2 -","- C7 H11 N O7 P2 -","- C28 H44 N4 O28 P8 -","4","1","NG5136","Wang, Feng-Lei; Yuan, Rong-Xin; Xie, Ji-Min","4-[2-(Hydrogen phosphonato)-2-hydroxy-2-phosphonoethyl]pyridinium","Acta Crystallographica Section E","2011","67","4","o1025","","10.1107/S1600536811011408","","","0.71073","MoKα","","0.0696","0.051","","","0.109","0.1172","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229774","6.415","0.003","7.314","0.003","22.204","0.008","90","","90","","90","","1041.8","0.7","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Bis(1-methyl-1H-tetrazol-5-ylsulfanyl)methane","Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methane","","- C5 H8 N8 S2 -","- C5 H8 N8 S2 -","- C20 H32 N32 S8 -","4","0.5","NG5140","Wei, Wei; Xia, Zheng-qiang; Chen, San-ping; Gao, Sheng-li","Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methane","Acta Crystallographica Section E","2011","67","4","o999","","10.1107/S1600536811011007","","","0.71073","MoKα","","0.1244","0.0626","","","0.0886","0.1077","","","","","","1.206","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229775","7.2437","0.0005","7.4244","0.0005","20.4794","0.0015","90","","90","","90","","1101.38","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","S-Norketamine","(<i>S</i>)-2-Amino-2-(2-chlorophenyl)cyclohexanone","","- C12 H14 Cl N O -","- C12 H14 Cl N O -","- C48 H56 Cl4 N4 O4 -","4","1","NK2080","Biermann, Manfred; Hardcastle, Kenneth I.; Moskalev, Nikolai V.; Crooks, Peter A.","(<i>S</i>)-2-Amino-2-(2-chlorophenyl)cyclohexanone","Acta Crystallographica Section E","2011","67","4","o936","","10.1107/S1600536811009950","","","1.54178","CuKα","","0.0228","0.0225","","","0.0584","0.0587","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229776","9.3291","0.0006","11.1498","0.0007","17.8134","0.001","89.433","0.003","81.623","0.002","71.993","0.003","1742.13","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Phenyl(1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone","","- C21 H15 N O3 S -","- C21 H15 N O3 S -","- C84 H60 N4 O12 S4 -","4","2","NK2081","Ranjith, S.; SubbiahPandi, A.; Govindan, E.; Dhayalan, V.; MohanaKrishnan, A. K.","Phenyl(1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone","Acta Crystallographica Section E","2011","67","4","o844","","10.1107/S1600536811008439","","","0.71073","MoKα","","0.0599","0.0404","","","0.1201","0.1377","","","","","","0.994","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229777","7.255","0.0015","20.506","0.004","15.824","0.003","90","","96.93","0.03","90","","2337","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-oxo-6,7,8,9-tetrahydrothieno[2',3':4,5]pyrimidino[1,2- <i>a</i>]pyridine-3-carboxylic acid","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C96 H96 N16 O24 S8 -","8","2","NK2082","Elmuradov, Burkhon Zh.; Bozorov, Khurshed A.; Okmanov, Rasul Ya.; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusnutdin M.","2-Methyl-4-oxo-6,7,8,9-tetrahydrothieno[2',3':4,5]pyrimidino[1,2-<i>a</i>]pyridine-3-carboxylic acid","Acta Crystallographica Section E","2011","67","4","o824","","10.1107/S1600536811007902","","","1.54184","CuKα","","0.096","0.0625","","","0.1428","0.1685","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229778","6.6032","0.001","10.4541","0.0016","12.4906","0.0018","77.136","0.012","78.94","0.013","72.839","0.011","795.8","0.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","4-(3-Fluorophenyl)-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-trifluoromethyl- 1,3-diazinan-2-one","","- C16 H12 F4 N2 O3 S -","- C16 H12 F4 N2 O3 S -","- C32 H24 F8 N4 O6 S2 -","2","1","NK2083","He, Qin; Li, Jing; Huang, Bao-Jun","4-(3-Fluorophenyl)-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-trifluoromethyl-1,3-diazinan-2-one","Acta Crystallographica Section E","2011","67","4","o759","","10.1107/S1600536811006933","","","0.71073","MoKα","","0.0631","0.0378","","","0.074","0.0822","","","","","","0.952","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229779","4.4393","0.0009","8.7151","0.0017","11.86","0.002","90","","93.83","0.03","90","","457.83","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Poly[μ-(5,5'-diazenediylditetrazolido)-dicaesium]","","- C2 Cs2 N10 -","- C2 Cs2 N10 -","- C4 Cs4 N20 -","2","0.5","NK2085","Meng, Yan","Poly[μ-(5,5'-diazenediylditetrazolido)-dicaesium]","Acta Crystallographica Section E","2011","67","4","m453","","10.1107/S1600536811008312","","","0.71073","MoKα","","0.0374","0.0314","","","0.0776","0.0817","","","","","","1.151","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229780","16.4446","0.0003","10.8531","0.0002","17.3131","0.0003","90","","120.429","0.001","90","","2664.34","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2,6-Bis[(diphenylphosphanyl)oxy]phenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}iodidonickel(II)","","- C30 H23 I Ni O2 P2 -","- C30 H23 I Ni O2 P2 -","- C120 H92 I4 Ni4 O8 P8 -","4","1","NK2088","Salah, Abderrahmen; Zargarian, Davit","{2,6-Bis[(diphenylphosphanyl)oxy]phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}iodidonickel(II)","Acta Crystallographica Section E","2011","67","4","m437","","10.1107/S1600536811008828","","","1.54178","CuKα","","0.0263","0.0259","","","0.0676","0.0678","","","","","","1.068","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229781","6.8819","0.0002","10.7244","0.0003","13.3533","0.0004","77.132","0.002","83.165","0.002","87.597","0.002","953.83","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","5-Cyclohexyl-3-cyclohexylsulfonyl-2-methyl-1-benzofuran","","- C21 H28 O3 S -","- C21 H28 O3 S -","- C42 H56 O6 S2 -","2","1","NK2090","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-3-cyclohexylsulfonyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o805","","10.1107/S1600536811007872","","","0.71073","MoKα","","0.069","0.0479","","","0.1228","0.1356","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229782","14.1817","0.0002","12.1347","0.0002","18.1258","0.0003","90","","101.136","0.001","90","","3060.55","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Cyclohexylsulfinyl-5-iodo-2-methyl-1-benzofuran","","- C15 H17 I O2 S -","- C15 H17 I O2 S -","- C120 H136 I8 O16 S8 -","8","2","NK2093","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-Cyclohexylsulfinyl-5-iodo-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o1026","","10.1107/S160053681101124X","","","0.71073","MoKα","","0.0388","0.031","","","0.0731","0.077","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229783","13.16","0.003","9.6136","0.0019","17.971","0.004","90","","93.09","0.03","90","","2270.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cyanidotetrakis(trimethylphosphine)cobalt(I)","","- C13 H36 Co N P4 -","- C13 H36 Co N P4 -","- C52 H144 Co4 N4 P16 -","4","1","OM2401","Xu, Xiaofeng; Feng, Lei; Li, Xiaoyan","Cyanidotetrakis(trimethylphosphine)cobalt(I)","Acta Crystallographica Section E","2011","67","4","m503","","10.1107/S160053681101083X","","","0.71073","MoKα","","0.0786","0.0681","","","0.2018","0.2155","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229784","7.5957","0.0015","7.2971","0.0015","17.036","0.003","90","","95.1","0.03","90","","940.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-2-hydroxy-3,5-dinitrobenzoato)rubidium]","","- C7 H3 N2 O7 Rb -","- C7 H3 N2 O7 Rb -","- C28 H12 N8 O28 Rb4 -","4","1","OM2407","Meng, Yan","Poly[(μ-2-hydroxy-3,5-dinitrobenzoato)rubidium]","Acta Crystallographica Section E","2011","67","4","m454","","10.1107/S1600536811008476","","","0.71073","MoKα","","0.0494","0.0437","","","0.1037","0.1074","","","","","","1.067","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229785","14.602","0.002","9.5827","0.0014","12.8714","0.0019","90","","107.483","0.002","90","","1717.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(pyridin-2- yl)ethylidene]ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(thiocyanato-κ<i>N</i>)cadmium(II)]- μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]","","- C13 H17 Cd N5 S2 -","- C13 H17 Cd N5 S2 -","- C52 H68 Cd4 N20 S8 -","4","1","OM2412","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","<i>catena</i>-Poly[[{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(thiocyanato-κ<i>N</i>)cadmium]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2011","67","4","m480","","10.1107/S1600536811010063","","","0.71073","MoKα","","0.0285","0.0225","","","0.0519","0.0561","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229786","21.2894","0.0008","18.8015","0.0007","27.1792","0.001","90","","128.584","0.002","90","","8504.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(diethylaminothiocarbonyl)-<i>N</i>'-phenylbenzamidine","3,3-diethyl-1-[phenyl(phenylamino)methylidene]thiourea","","- C18 H21 N3 S -","- C18 H21 N3 S -","- C360 H420 N60 S20 -","20","5","OM2413","Schröder, Bernd; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Brandão, Paula; Low, John Nicolson","A second monoclinic polymorph of <i>N</i>-(diethylaminothiocarbonyl)-<i>N</i>'-phenylbenzamidine","Acta Crystallographica Section E","2011","67","4","o962","o963","10.1107/S1600536811010464","","","0.71073","MoKα","","0.1157","0.0557","","","0.1162","0.142","","","","","","1.011","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229787","24.5799","0.0008","24.5799","0.0008","10.9601","0.0006","90","","90","","90","","6621.8","0.5","296","","296","","","","","","","","","6","I 41/a :2","-I 4ad","88","","<i>N</i>-[2-(4-Bromophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]pyridine-3- carboxamide","","- C16 H14 Br N3 O2 S -","- C16 H14 Br N3 O2 S -","- C256 H224 Br16 N48 O32 S16 -","16","1","OM2414","Akkurt, Mehmet; Çelik, Ísmail; Demir, Hale; Özkırımlı, Sumru; Büyükgüngör, Orhan","<i>N</i>-[2-(4-Bromophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide","Acta Crystallographica Section E","2011","67","4","o914","o915","10.1107/S1600536811009603","","","0.71073","MoKα","","0.1361","0.0584","","","0.0981","0.1189","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229788","15.6741","0.0006","17.7531","0.0007","7.3608","0.0003","90","","90","","90","","2048.24","0.14","125","2","125","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","4-Bromo-<i>N</i>-phenylaniline","","- C12 H10 Br N -","- C12 H10 Br N -","- C96 H80 Br8 N8 -","8","1","OM2415","Hefter, Emily J.; Tanski, Joseph M.","4-Bromo-<i>N</i>-phenylaniline","Acta Crystallographica Section E","2011","67","4","o976","","10.1107/S160053681101052X","","","0.71073","MoKα","","0.0554","0.0429","","","0.1108","0.1183","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229789","8.6239","0.0016","20.512","0.004","8.5952","0.0016","90","","111.975","0.003","90","","1410","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-8,9,10,11-tetrahydro-1- benzothieno[3,2-<i>e</i>][1,2,4]triazolo[1,5-<i>c</i>]pyrimidine","","- C17 H14 N4 S -","- C17 H14 N4 S -","- C68 H56 N16 S4 -","4","1","PB2056","Panchamukhi, Shridhar I.; Fathima, Nikhath; Khazi, I. M.; Begum, Noor Shahina","2-Phenyl-8,9,10,11-tetrahydro-1-benzothieno[3,2-<i>e</i>][1,2,4]triazolo[1,5-<i>c</i>]pyrimidine","Acta Crystallographica Section E","2011","67","4","o777","o778","10.1107/S1600536811007331","","","0.71073","MoKα","","0.0852","0.0596","","","0.1512","0.2016","","","","","","1.252","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229790","6.2901","0.0012","8.0212","0.0015","8.0769","0.0015","108.522","0.003","95.068","0.003","97.086","0.003","379.92","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(μ-Ethane-1,1,2,2-tetracarboxylato)bis[tetraaquamanganese(II)]","","- C6 H18 Mn2 O16 -","- C6 H18 Mn2 O16 -","- C6 H18 Mn2 O16 -","1","0.5","PB2059","Xue, Meng-Wei; Chen, Chang-Yun","(μ-Ethane-1,1,2,2-tetracarboxylato)bis[tetraaquamanganese(II)]","Acta Crystallographica Section E","2011","67","4","m449","","10.1107/S1600536811008063","","","0.71073","MoKα","","0.0275","0.0261","","","0.0678","0.0692","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229791","5.902","0.0007","9.7792","0.0012","4.9901","0.0006","90","","90","","90","","288.01","0.06","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Poly[aqua(μ-vinylphosphonato)cadmium]","","- C2 H5 Cd O4 P -","- C2 H5 Cd O4 P -","- C4 H10 Cd2 O8 P2 -","2","0.5","PK2298","Congiardo, Laura K. Byington; Mague, Joel T.; Funk, Aaron R.; Yngard, Ria; Knight, D. Andrew","Poly[aqua(μ-vinylphosphonato)cadmium]","Acta Crystallographica Section E","2011","67","4","m450","m451","10.1107/S160053681100780X","","","0.71073","MoKα","","0.0201","0.0199","","","0.0526","0.0527","","","","","","1.156","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229792","10.8458","0.0003","13.0191","0.0004","17.672","0.0005","90","","103.757","0.002","90","","2423.75","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-1,5-diphenyl-3-tosylimidazolidin-4-one","","- C28 H23 Cl N2 O3 S -","- C28 H23 Cl N2 O3 S -","- C112 H92 Cl4 N8 O12 S4 -","4","1","PK2300","Ranjith, S.; SubbiahPandi, A.; Namitharan, K.; Pitchumani, K.","2-(4-Chlorophenyl)-1,5-diphenyl-3-tosylimidazolidin-4-one","Acta Crystallographica Section E","2011","67","4","o843","","10.1107/S1600536811008427","","","0.71073","MoKα","","0.0692","0.0416","","","0.1019","0.1148","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229793","9.3437","0.0019","10.486","0.002","14.32","0.003","83.09","0.03","87.16","0.03","69.02","0.03","1300.5","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aquaglutarato(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II) trihydrate","","- C23 H28 N6 Ni O9 -","- C23 H28 N6 Ni O9 -","- C46 H56 N12 Ni2 O18 -","2","1","PK2302","Jin, Chun-Hua","Aquaglutarato(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II) trihydrate","Acta Crystallographica Section E","2011","67","4","m393","","10.1107/S1600536811006842","","","0.71073","MoKα","","0.0491","0.0303","","","0.0682","0.0866","","","","","","1.139","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229794","9.7309","0.0001","9.883","0.0001","11.2162","0.0001","78.966","0.001","81.795","0.001","79.993","0.001","1035.91","0.018","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[5-Hydroxy-3-phenyl-1-(pyridin-2-yl)pyrazol-5-olato]diphenylboron","","- C26 H20 B N3 O -","- C26 H20 B N3 O -","- C52 H40 B2 N6 O2 -","2","1","PK2309","Lee, Kee-In; Bin, Hye-Rin; Lee, Do-Min; Kim, Chong-Hyeak","[5-Hydroxy-3-phenyl-1-(pyridin-2-yl)pyrazol-5-olato]diphenylboron","Acta Crystallographica Section E","2011","67","4","o979","","10.1107/S1600536811010634","","","0.71073","MoKα","","0.0554","0.0406","","","0.0968","0.1064","","","","","","1.025","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229795","9.8923","0.0001","10.9535","0.0001","12.172","0.0002","93.86","0.001","112.334","0.001","93.484","0.001","1211.86","0.03","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","Methyl 9-diethylamino-2,2-bis(4-methoxyphenyl)-2<i>H</i>-benzo[<i>h</i>]chromene- 5-carboxylate","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C62 H58 N2 O10 -","2","1","PK2310","Kim, Moon-Hwan; Park, Hee-Moon; Kim, Chong-Hyeak","Methyl 9-diethylamino-2,2-bis(4-methoxyphenyl)-2<i>H</i>-benzo[<i>h</i>]chromene-5-carboxylate","Acta Crystallographica Section E","2011","67","4","o980","","10.1107/S160053681101049X","","","0.71073","MoKα","","0.0462","0.0395","","","0.1052","0.1107","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229796","7.9267","0.0003","10.094","0.0003","11.8265","0.0005","89.78","0.001","89.634","0.001","73.087","0.002","905.31","0.06","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Tris(piperazine-1,4-diium) bis[hexachloridoindate(III)] tetrahydrate","","- C12 H44 Cl12 In2 N6 O4 -","- C12 H44 Cl12 In2 N6 O4 -","- C12 H44 Cl12 In2 N6 O4 -","1","0.5","PV2386","Bouacida, Sofiane; Belhouas, Ratiba; Fantazi, Boubakeur; Boudaren, Chaouki; Roisnel, Thierry","Tris(piperazine-1,4-diium) bis[hexachloridoindate(III)] tetrahydrate","Acta Crystallographica Section E","2011","67","4","m400","m401","10.1107/S1600536811007355","","","0.71073","MoKα","","0.0442","0.0299","","","0.0633","0.0688","","","","","","1.091","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229797","10.505","0.004","5.617","0.002","25.877","0.011","90","","91.566","0.007","90","","1526.3","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-(4-Bromophenyl)-2-(4-fluorobenzyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C17 H11 Br F N3 S -","- C17 H11 Br F N3 S -","- C68 H44 Br4 F4 N12 S4 -","4","1","PV2388","Banu, Afshan; Begum, Noor Shahina; Lamani, Ravi S.; Khazi, I. M.","6-(4-Bromophenyl)-2-(4-fluorobenzyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2011","67","4","o779","","10.1107/S1600536811007343","","","0.71073","MoKα","","0.0729","0.0478","","","0.1117","0.1292","","","","","","1.131","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229798","18.069","0.003","18.069","0.003","18.919","0.004","90","","90","","90","","6177","2","180","2","180","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III) chlorobenzene hemisolvate monohydrate","","- C67 H68.5 Cl1.5 Fe N8 O7 -","- C64 H64 Cl Fe N8 O4 -","- C256 H256 Cl4 Fe4 N32 O16 -","4","0.25","PV2389","Dhifet, Mondher; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III) chlorobenzene hemisolvate monohydrate","Acta Crystallographica Section E","2011","67","4","m460","m461","10.1107/S1600536811009299","","","0.71073","MoKα","","0.0842","0.0595","","","0.169","0.1798","","","","","","1.074","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229799","11.603","0.006","13.886","0.007","8.969","0.004","90","","111.017","0.007","90","","1348.9","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[tetraaquatris(μ~3~-hexane-1,6-dicarboxylato)diterbium(III)] 0.25-hydrate]","","- C18 H32.5 O16.25 Tb2 -","- C18 H32.5 O16.25 Tb2 -","- C36 H65 O32.5 Tb4 -","2","0.5","PV2390","Li, Fei-Fei; Zhang, Hui-Ju; Zhang, Li-Na","Poly[[tetraaquatris(μ~3~-hexane-1,6-dicarboxylato)diterbium(III)] 0.25-hydrate]","Acta Crystallographica Section E","2011","67","4","m412","","10.1107/S1600536811007719","","","0.71073","MoKα","","0.0306","0.0253","","","0.064","0.0656","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229800","9.829","0.003","7.559","0.002","15.35","0.005","90","","105.589","0.003","90","","1098.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[triaqua(μ~3~-4-oxidopyridine-2,6-dicarboxylato)thulium(III)] monohydrate]","","- C7 H10 N O9 Tm -","- C7 H10 N O9 Tm -","- C28 H40 N4 O36 Tm4 -","4","1","PV2392","Gao, Zhu-Qing; Lv, Dong-Yu; Gu, Jin-Zhong; Li, Hong-Jin","Poly[[triaqua(μ~3~-4-oxidopyridine-2,6-dicarboxylato)thulium(III)] monohydrate]","Acta Crystallographica Section E","2011","67","4","m409","","10.1107/S1600536811007628","","","0.71073","MoKα","","0.0352","0.0307","","","0.0782","0.0815","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229801","9.198","0.005","11.229","0.005","11.992","0.005","65.569","0.005","72.95","0.005","72.204","0.005","1053.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diethyl [(3-cyano-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]phosphonate","","- C20 H21 N2 O5 P S -","- C20 H21 N2 O5 P S -","- C40 H42 N4 O10 P2 S2 -","2","1","PV2393","Karthikeyan, S.; Sethusankar, K.; Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.; Velmurugan, D.","Diethyl [(3-cyano-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]phosphonate","Acta Crystallographica Section E","2011","67","4","o818","o819","10.1107/S1600536811008038","","","0.71073","MoKα","","0.0523","0.0421","","","0.1154","0.1258","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229802","10.8391","0.0009","16.967","0.0012","22.2871","0.0018","90","","90","","90","","4098.8","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dicarbonyldichloridobis(trimethylphosphane)iron(II)‒ carbonyldichloridotris(trimethylphosphane)iron(II)‒tetrahydrofuran (1/1/2)","","- C26 H61 Cl4 Fe2 O5 P5 -","- C26 H61 Cl4 Fe2 O5 P5 -","- C104 H244 Cl16 Fe8 O20 P20 -","4","0.5","PV2394","Rath, Nigam P.; Stouffer, Meghan; Janssen, Matthew K.; Bleeke, John R.","Dicarbonyldichloridobis(trimethylphosphane)iron(II)‒carbonyldichloridotris(trimethylphosphane)iron(II)‒tetrahydrofuran (1/1/2)","Acta Crystallographica Section E","2011","67","4","m462","","10.1107/S1600536811009305","","","0.71073","MoKα","","0.05","0.0337","","","0.0739","0.0809","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229803","24.6478","0.0004","9.5107","0.0002","7.6723","0.0002","90","","90","","90","","1798.52","0.07","100","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","<i>trans</i>-Diaquabis(cyclohexane-1,2-diamine)zinc(II) dichloride","","- C12 H32 Cl2 N4 O2 Zn -","- C12 H32 Cl2 N4 O2 Zn -","- C48 H128 Cl8 N16 O8 Zn4 -","4","","PV2395","Karimnejad, Kamelia; Khaledi, Hamid; Mohd Ali, Hapipah","<i>trans</i>-Diaquabis(cyclohexane-1,2-diamine)zinc(II) dichloride","Acta Crystallographica Section E","2011","67","4","m421","","10.1107/S1600536811008166","","","0.71073","MoKα","","0.0299","0.0213","","","0.0493","0.0527","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229804","9.6505","0.0005","12.1706","0.0006","11.8156","0.0006","90","","108.926","0.002","90","","1312.75","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(Diethoxyphosphinoyl)methyl]benzoic acid","","- C12 H17 O5 P -","- C12 H17 O5 P -","- C48 H68 O20 P4 -","4","1","PV2396","Karthikeyan, S.; Sethusankar, K.; Rajeshwaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","4-[(Diethoxyphosphinoyl)methyl]benzoic acid","Acta Crystallographica Section E","2011","67","4","o831","","10.1107/S1600536811008282","","","0.71073","MoKα","","0.045","0.0349","","","0.0975","0.1059","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229805","11.012","0.0004","13.0368","0.0004","11.1977","0.0003","90","","97.836","0.002","90","","1592.54","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-3-(2-methylphenyl)-3,3a,4,9b-tetrahydro-1<i>H</i>- chromeno[4,3-<i>c</i>][1,2]oxazole-3a-carbonitrile","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","PV2397","Swaminathan, K.; Sethusankar, K.; Murugan, G.; Bakthadoss, M.","1-Methyl-3-(2-methylphenyl)-3,3a,4,9b-tetrahydro-1<i>H</i>-chromeno[4,3-<i>c</i>][1,2]oxazole-3a-carbonitrile","Acta Crystallographica Section E","2011","67","4","o905","","10.1107/S1600536811009378","","","0.71073","MoKα","","0.1119","0.0509","","","0.1211","0.1476","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229806","10.622","0.006","12.969","0.007","12.423","0.007","90","","93.64","0.03","90","","1707.9","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-3-(naphthalen-1-yl)-3,3a,4,9b-tetrahydro-1<i>H</i>- chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","PV2398","Gangadharan, Rajeswari; SethuSankar, K.; Murugan, Gandhi; Bakthadoss, Manickam","1-Methyl-3-(naphthalen-1-yl)-3,3a,4,9b-tetrahydro-1<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2011","67","4","o942","","10.1107/S1600536811009731","","","0.71073","MoKα","","0.1066","0.0544","","","0.1384","0.1757","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229807","6.212","0.003","8.6","0.004","9.462","0.002","109.56","0.03","106.38","0.02","95.5","0.02","446.8","0.3","293","2","293","","","","","","","","","5","P -1","-P 1","2","","2-Aminopyrimidinium dihydrogen phosphate monohydrate","","- C4 H10 N3 O5 P -","- C4 H10 N3 O5 P -","- C8 H20 N6 O10 P2 -","2","1","PV2399","Marouani, Houda; Al-Deyab, Salem S.; Rzaigui, Mohamed","2-Aminopyrimidinium dihydrogen phosphate monohydrate","Acta Crystallographica Section E","2011","67","4","o970","o971","10.1107/S1600536811010658","","","0.56083","AgKα","","0.0673","0.0417","","","0.1111","0.1236","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229808","11.4481","0.0007","12.0276","0.0007","12.5556","0.0007","91.798","0.005","100.282","0.005","98.068","0.005","1681.39","0.17","296","","296","","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-[2-(4-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]pyridine-3- carboxamide","","- C16 H14 Cl N3 O2 S -","- C16 H14 Cl N3 O2 S -","- C64 H56 Cl4 N12 O8 S4 -","4","2","QM2002","Akkurt, Mehmet; Çelik, Ísmail; Demir, Hale; Özkırımlı, Sumru; Büyükgüngör, Orhan","<i>N</i>-[2-(4-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide","Acta Crystallographica Section E","2011","67","4","o745","o746","10.1107/S1600536811007136","","","0.71073","MoKα","","0.1547","0.0788","","","0.1871","0.2245","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229809","28.09","0.02","7.992","0.006","20.163","0.014","90","","121.854","0.007","90","","3845","5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[<i>N</i>'-(5-Bromo-2-oxidobenzylidene-κ<i>O</i>)-2- chlorobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol- κ<i>O</i>)(methanolato-κ<i>O</i>)oxidovanadium(V)","","- C16 H15 Br Cl N2 O5 V -","- C16 H15 Br Cl N2 O5 V -","- C128 H120 Br8 Cl8 N16 O40 V8 -","8","1","QM2003","Wang, Fu-Ming","[<i>N</i>'-(5-Bromo-2-oxidobenzylidene-κ<i>O</i>)-2-chlorobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxidovanadium(V)","Acta Crystallographica Section E","2011","67","4","m433","m434","10.1107/S1600536811008774","","","0.71073","MoKα","","0.1093","0.0448","","","0.0834","0.1026","","","","","","1.024","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2229810","10.0141","0.0004","9.2358","0.0003","17.5945","0.0006","90","","102.354","0.002","90","","1589.6","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Chlorophenyl)-1-methyl-3,3a,4,9b-tetrahydro-1<i>H</i>- chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","","- C18 H15 Cl N2 O2 -","- C18 H15 Cl N2 O2 -","- C72 H60 Cl4 N8 O8 -","4","1","RK2265","Swaminathan, K.; Sethusankar, K.; Murugan, G.; Bakthadoss, M.","3-(3-Chlorophenyl)-1-methyl-3,3a,4,9b-tetrahydro-1<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2011","67","4","o799","","10.1107/S1600536811007495","","","0.71073","MoKα","","0.0778","0.0512","","","0.1323","0.1508","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229811","5.7117","0.0001","23.5045","0.0004","12.798","0.0002","90","","102.08","0.001","90","","1680.09","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Cyclohexylsulfonyl-5-isopropyl-2-methyl-1-benzofuran","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C72 H96 O12 S4 -","4","1","RK2267","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-Cyclohexylsulfonyl-5-isopropyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o749","","10.1107/S1600536811007215","","","0.71073","MoKα","","0.0542","0.0432","","","0.111","0.1179","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229812","9.145","0.006","10.716","0.007","8.292","0.005","90","","90","","90","","812.6","0.9","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2,2',2'',2'''-[Pyridine-2,6-diylbis(methylenenitrilo)]tetraethanol","","- C15 H27 N3 O4 -","- C15 H27 N3 O4 -","- C30 H54 N6 O8 -","2","0.5","RK2270","Cao, Shou-Ying; Zhou, Cheng-He","2,2',2'',2'''-[Pyridine-2,6-diylbis(methylenenitrilo)]tetraethanol","Acta Crystallographica Section E","2011","67","4","o1003","","10.1107/S1600536811010919","","","0.71073","MoKα","","0.0382","0.0361","","","0.0963","0.0981","","","","","","1.079","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229813","11.68","0.002","11.654","0.002","10.834","0.002","90","","93.07","0.02","90","","1472.6","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C68 H60 Br4 O8 -","4","1","RK2271","Dutkiewicz, Grzegorz; Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.; Kubicki, Maciej","(2<i>E</i>)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o1024","","10.1107/S1600536811011482","","","0.71073","MoKα","","0.1176","0.0426","","","0.0636","0.0717","","","","","","0.996","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229814","9.813","0.002","9.5376","0.0019","13.534","0.003","90","","92.3","0.03","90","","1265.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(η^3^-Allyl)bromido(1-phenyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)palladium(II)","","- C12 H13 Br N2 Pd -","- C12 H13 Br N2 Pd -","- C48 H52 Br4 N8 Pd4 -","4","1","RN2079","Huang, Jiangying; Zhang, Xiao","(η^3^-Allyl)bromido(1-phenyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)palladium(II)","Acta Crystallographica Section E","2011","67","4","m457","","10.1107/S1600536811008798","","","0.71073","MoKα","","0.0249","0.021","","","0.0479","0.0493","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229815","8.0318","0.0016","11.144","0.002","15.816","0.003","90","","97.81","0.03","90","","1402.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[(2<i>S</i>,4<i>S</i>)-4-(2-hydroxyethyl)-2-methylpiperazine-1,4-diium] di-μ-chlorido-bis[trichloridocadmium(II)]","","- C14 H36 Cd2 Cl8 N4 O2 -","- C14 H36 Cd2 Cl8 N4 O2 -","- C28 H72 Cd4 Cl16 N8 O4 -","2","0.5","RN2080","Rong, Tao","Bis[(2<i>S</i>,4<i>S</i>)-4-(2-hydroxyethyl)-2-methylpiperazine-1,4-diium] di-μ-chlorido-bis[trichloridocadmium(II)]","Acta Crystallographica Section E","2011","67","4","m396","","10.1107/S1600536811006945","","","0.71073","MoKα","","0.0274","0.0247","","","0.0587","0.0597","","","","","","1.193","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229816","11.755","0.003","20.653","0.005","13.202","0.003","90","","96.935","0.004","90","","3181.7","1.3","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","{2-(4-Hydroxyphenyl)-2-[(3-methoxy-2-oxidobenzylidene)amino- κ^2^<i>O</i>^2^,<i>N</i>]propanoato-κ<i>O</i>}(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate","","- C29 H27 Cu N3 O7 -","- C29 H27 Cu N3 O7 -","- C116 H108 Cu4 N12 O28 -","4","1","RN2083","Pu, Xuewei; Li, Lianzhi; Dong, Jianfang; Jing, Buqin","{2-(4-Hydroxyphenyl)-2-[(3-methoxy-2-oxidobenzylidene)amino-κ^2^<i>O</i>^2^,<i>N</i>]propanoato-κ<i>O</i>}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate","Acta Crystallographica Section E","2011","67","4","m465","m466","10.1107/S1600536811009627","","","0.71073","MoKα","","0.0963","0.0711","","","0.175","0.2019","","","","","","1.042","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229817","24.506","0.004","10.218","0.0015","20.554","0.003","90","","121.963","0.002","90","","4366.5","1.2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,5-Bis(4-fluorophenyl)-5-hydroxy-3-(2-methylpropanoyl)-1-phenylpyrrolidin-2-one","","- C26 H23 F2 N O3 -","- C26 H23 F2 N O3 -","- C208 H184 F16 N8 O24 -","8","1","RZ2536","Huang, Jian-Ying; Zhou, Fengyan","4,5-Bis(4-fluorophenyl)-5-hydroxy-3-(2-methylpropanoyl)-1-phenylpyrrolidin-2-one","Acta Crystallographica Section E","2011","67","4","o873","o874","10.1107/S1600536811008786","","","0.71073","MoKα","","0.0874","0.0386","","","0.0807","0.1027","","","","","","1.023","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229818","10.617","0.002","12.256","0.002","7.4453","0.0014","90","","106.347","0.002","90","","929.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxoindolin-3-yl acetate","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","RZ2559","Deng, Qiang","2-Oxoindolin-3-yl acetate","Acta Crystallographica Section E","2011","67","4","o897","","10.1107/S1600536811009093","","","0.71073","MoKα","","0.0468","0.0369","","","0.1206","0.1293","","","","","","1.007","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229819","7.8695","0.0016","11.893","0.002","28.346","0.006","90","","90","","90","","2653","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl 3-benzyl-3-[(<i>E</i>)-2-benzylidene-3-oxocyclopentyl]-2- oxoindoline-1-carboxylate","","- C32 H31 N O4 -","- C32 H31 N O4 -","- C128 H124 N4 O16 -","4","1","RZ2560","Qiao, Zhen; Liu, Li; Wang, Dong","<i>tert</i>-Butyl 3-benzyl-3-[(<i>E</i>)-2-benzylidene-3-oxocyclopentyl]-2-oxoindoline-1-carboxylate","Acta Crystallographica Section E","2011","67","4","o858","","10.1107/S160053681100691X","","","0.71073","MoKα","","0.0624","0.0549","","","0.1275","0.1316","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229820","3.7294","0.0001","6.2347","0.0002","34.6518","0.0011","90","","90.74","0.001","90","","805.65","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Fluoro-4-oxochromene-3-carbaldehyde","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C40 H20 F4 O12 -","4","1","RZ2562","Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun","7-Fluoro-4-oxochromene-3-carbaldehyde","Acta Crystallographica Section E","2011","67","4","o766","","10.1107/S1600536811007045","","","0.71073","MoKα","","0.0463","0.0421","","","0.1209","0.1254","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229821","6.8463","0.0004","10.8855","0.0005","15.8137","0.0008","83.95","0.002","81.355","0.002","81.14","0.002","1147.14","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium 4-methoxybenzenesulfonate monohydrate","","- C24 H29 N O8 S -","- C24 H29 N O8 S -","- C48 H58 N2 O16 S2 -","2","1","RZ2563","Fun, Hoong-Kun; Mueangkeaw, Charoensak; Ruanwas, Pumsak; Chantrapromma, Suchada","1-Methyl-2-[(<i>E</i>)-2,4,5-trimethoxystyryl]pyridinium 4-methoxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2011","67","4","o867","o868","10.1107/S1600536811008610","","","0.71073","MoKα","","0.0518","0.0453","","","0.1195","0.1242","","","","","","1.051","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229822","11.5593","0.0007","15.5194","0.0009","12.4056","0.0008","90","","95.774","0.001","90","","2214.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ-Ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>')bis[dicarbonyl(η^5^- cyclopentadienyl)iron(II)] bis(tetrafluoridoborate)","","- C16 H18 B2 F8 Fe2 N2 O4 -","- C16 H18 B2 F8 Fe2 N2 O4 -","- C64 H72 B8 F32 Fe8 N8 O16 -","4","1","RZ2564","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Omondi, Bernard","(μ-Ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>')bis[dicarbonyl(η^5^-cyclopentadienyl)iron(II)] bis(tetrafluoridoborate)","Acta Crystallographica Section E","2011","67","4","m485","","10.1107/S1600536811010154","","","0.71073","MoKα","","0.0455","0.0329","","","0.0766","0.0836","","","","","","1.137","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229823","6.0882","0.0004","9.1862","0.0005","21.08","0.0012","90","","90","","90","","1178.95","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Methoxy-2-[(<i>E</i>)-phenyliminomethyl]phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","RZ2565","Yu, Yu-Ye","6-Methoxy-2-[(<i>E</i>)-phenyliminomethyl]phenol","Acta Crystallographica Section E","2011","67","4","o889","","10.1107/S1600536811009135","","","0.71073","MoKα","","0.0579","0.0455","","","0.1169","0.1403","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229824","14.9236","0.0015","5.9331","0.0007","21.425","0.002","90","","99.338","0.002","90","","1871.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-[2-(2-Benzylidenehydrazinylidene)-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin- 5-yl]-3-(4-methoxyphenyl)sydnone","4-[2-(2-Benzylidenehydrazinylidene)-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin- 5-yl]-3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ylium-5-olate","","- C19 H16 N6 O3 S -","- C19 H16 N6 O3 S -","- C76 H64 N24 O12 S4 -","4","1","RZ2567","Fun, Hoong-Kun; Hemamalini, Madhukar; Nithinchandra; Kalluraya, Balakrishna","4-[2-(2-Benzylidenehydrazinylidene)-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin-5-yl]-3-(4-methoxyphenyl)sydnone","Acta Crystallographica Section E","2011","67","4","o902","","10.1107/S1600536811009329","","","0.71073","MoKα","","0.0788","0.0434","","","0.0903","0.1062","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229825","14.929","0.0007","7.7223","0.0003","13.8345","0.0006","90","","115.993","0.002","90","","1433.6","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(4-acetylphenyl) selenide","1-{4-[(4-acetylphenylidene)selanyl]phenyl}ethanone","","- C16 H14 O2 Se -","- C16 H14 O2 Se -","- C64 H56 O8 Se4 -","4","1","RZ2569","Bouraoui, Hazem; Boudjada, Ali; Bouacida, Sofiane; Mechehoud, Youcef; Meinnel, Jean","Bis(4-acetylphenyl) selenide","Acta Crystallographica Section E","2011","67","4","o941","","10.1107/S1600536811009962","","","0.71073","MoKα","","0.0813","0.0413","","","0.0953","0.1117","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229826","4.8631","0.0011","11.833","0.003","13.296","0.003","107.106","0.005","100.376","0.004","97.553","0.004","705.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-[1-(2,4-Dioxo-3,4-dihydro-2<i>H</i>-1-benzopyran-3- ylidene)ethyl]thiophene-2-carbohydrazide","","- C16 H12 N2 O4 S -","- C16 H12 N2 O4 S -","- C32 H24 N4 O8 S2 -","2","1","RZ2570","Helliwell, Madeleine; Nasiopoulou, Despina A.; Harris, Philip A.; Kotali, Antigoni; Joule, John A.","<i>N</i>'-[1-(2,4-Dioxo-3,4-dihydro-2<i>H</i>-1-benzopyran-3-ylidene)ethyl]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2011","67","4","o1014","","10.1107/S1600536811010907","","","0.71073","MoKα","","0.1154","0.0579","","","0.1","0.1158","","","","","","0.873","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229827","11.2868","0.0009","11.2868","0.0009","36.446","0.003","90","","90","","120","","4020.9","0.6","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Triterpen","3α-Hydroxytirucalla-8,24-dien-21-oic acid‒ 3β-fluorotirucalla-7,24-dien-21-oic acid (0.897:0.103)","","- C30 H46.9 F0.1 O2.9 -","- C30 H46.898 F0.102 O2.898 -","- C180 H281.388 F0.612 O17.388 -","6","1","RZ2572","Yousuf, S.; Kamdem, R. S. T.; Wafo, P.; Ngadjui, B. T.; Fun, Hoong-Kun","A cocrystal of 3α-hydroxytirucalla-8,24-dien-21-oic acid and 3β-fluorotirucalla-7,24-dien-21-oic acid (0.897:0.103)","Acta Crystallographica Section E","2011","67","4","o1015","o1016","10.1107/S1600536811011159","","","0.71073","MoKα","","0.0598","0.0584","","","0.152","0.1528","","","","","","1.176","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2229828","6.0635","0.0005","15.5187","0.0013","12.8009","0.0012","90","","113.449","0.006","90","","1105.06","0.17","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,5-Bis[4-(dimethylamino)styryl]-3,6-dimethylpyrazine","4-[2-(5-{2-[4-(dimethylamino)phenyl]ethenyl}-3,6-dimethylpyrazin-2-yl)ethenyl]- <i>N</i>,<i>N</i>-dimethylaniline","","- C26 H30 N4 -","- C26 H30 N4 -","- C52 H60 N8 -","2","0.5","SI2330","Fischer, Janina; Schmitt, Volker; Schollmeyer, Dieter; Detert, Heiner","Monoclinic polymorph of 2,5-bis[4-(dimethylamino)styryl]-3,6-dimethylpyrazine","Acta Crystallographica Section E","2011","67","4","o875","","10.1107/S1600536811006234","","","0.71073","MoKa","","0.0904","0.0562","","","0.1461","0.1695","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229829","7.4374","0.0001","6.4001","0.0001","6.1394","0.0001","90","","90","","90","","292.236","0.008","296","2","296","2","","","","","","","","4","P m n 21","P 2ac -2","31","","dicopper(I) zinc silicon tetrasulfide","","- Cu2 S4 Si Zn -","- Cu2 S4 Si Zn -","- Cu4 S8 Si2 Zn2 -","2","0.5","SI2337","Rosmus, Kimberly A.; Aitken, Jennifer A.","Cu~2~ZnSiS~4~","Acta Crystallographica Section E","2011","67","4","i28","","10.1107/S1600536811008889","","","0.71073","MoKα","","0.0213","0.0196","","","0.0504","0.0509","","","","","","1.139","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229830","5.9993","0.0012","13.032","0.003","14.228","0.003","90","","96.967","0.003","90","","1104.2","0.4","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(4-bromophenyl)amine","4-Bromo-<i>N</i>-(4-bromophenyl)aniline","","- C12 H9 Br2 N -","- C12 H9 Br2 N -","- C48 H36 Br8 N4 -","4","1","SI2339","Duong, Michelle M.; Tanski, Joseph M.","4-Bromo-<i>N</i>-(4-bromophenyl)aniline","Acta Crystallographica Section E","2011","67","4","o755","","10.1107/S160053681100715X","","","0.71073","MoKα","","0.0376","0.0259","","","0.0597","0.0636","","","","","","1.016","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229831","7.3457","0.0003","13.3767","0.0005","7.3693","0.0003","90","","108.584","0.002","90","","686.36","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Hydroxyindan-1-one","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","SI2340","Chen, Kew-Yu; Wen, Yuh-Sheng; Fang, Tzu-Chien; Chang, Yuan-Jay; Chang, Ming-Jen","7-Hydroxyindan-1-one","Acta Crystallographica Section E","2011","67","4","o927","","10.1107/S1600536811009718","","","0.71073","MoKα","","0.0373","0.033","","","0.086","0.0893","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229832","8.3585","0.0003","12.3865","0.0005","12.6474","0.0005","109.88","0.001","97.148","0.001","105.321","0.001","1154","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Strontium ranelate nonahydrate","Poly[[μ-aqua-tetraaqua{μ-5-[bis(carboxylatomethyl)amino]-3- carboxylatomethyl-4-cyanothiophene-2-carboxylato}distrontium(II)] tetrahydrate]","","- C12 H23.58 N2 O16.79 S Sr2 -","- C12 H23.18 N2 O16.79 S Sr2 -","- C24 H46.36 N4 O33.58 S2 Sr4 -","2","1","SI2343","Stahl, Kenny; Frankaer, Christian G.; Raffalt, Anders C.; Sørensen, Søren R.; Andersen, Jens E. T.","Polymeric strontium ranelate nonahydrate","Acta Crystallographica Section E","2011","67","4","m471","m472","10.1107/S1600536811010099","","","0.71073","MoKα","","0.0476","0.033","","","0.0705","0.0751","","","","","","1.022","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229833","12.6395","0.0006","10.0836","0.0006","9.0128","0.0005","90","","90.476","0.005","90","","1148.66","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Di-<i>n</i>-butylthiourea","","- C9 H20 N2 S -","- C9 H20 N2 S -","- C36 H80 N8 S4 -","4","1","SI2344","Okuniewski, Andrzej; Dabrowska, Agnieszka; Chojnacki, Jaroslaw","1,3-Di-<i>n</i>-butylthiourea","Acta Crystallographica Section E","2011","67","4","o925","","10.1107/S1600536811009743","","","0.71073","MoKa","","0.0657","0.0464","","","0.1097","0.1163","","","","","","0.969","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229834","13.9126","0.0007","6.7332","0.0004","7.5368","0.0003","90","","90","","90","","706.02","0.06","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5-Hydroxyindan-1-one","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","0.5","SI2345","Chen, Kew-Yu; Fang, Tzu-Chien; Chang, Ming-Jen","5-Hydroxyindan-1-one","Acta Crystallographica Section E","2011","67","4","o992","","10.1107/S1600536811010956","","","0.71073","MoKα","","0.0627","0.0367","","","0.0778","0.081","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229835","9.8706","0.0008","11.254","0.0012","8.4033","0.0007","90","","104.61","0.02","90","","903.29","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>Z</i>)-<i>N</i>'-Hydroxy-4-(trifluoromethyl)benzimidamide","<i>N</i>'-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide","","- C8 H7 F3 N2 O -","- C8 H7 F3 N2 O -","- C32 H28 F12 N8 O4 -","4","1","SJ5105","Liu, Fei; Zhang, Fang; Chen, Qifan; Dong, Mingdong","(<i>Z</i>)-<i>N</i>'-Hydroxy-4-(trifluoromethyl)benzimidamide","Acta Crystallographica Section E","2011","67","4","o859","","10.1107/S1600536811005022","","","0.71073","MoKα","","0.0933","0.0557","","","0.1639","0.1828","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229836","7.357","0.0002","15.645","0.0005","10.4954","0.0003","90","","90.518","0.003","90","","1207.97","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-(4-Chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","SJ5108","Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Sarojini, B.K.; Musthafa Khaleel, V.","(2<i>E</i>)-3-(4-Chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o756","","10.1107/S160053681100701X","","","0.71073","MoKα","","0.0612","0.0406","","","0.1093","0.115","","","","","","1.074","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229837","9.2077","0.0018","18.387","0.004","21.992","0.004","90","","94.37","0.03","90","","3712.5","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triphenyl[2-(triphenylphosphaniumyl)ethyl]phosphanium bis(periodate)","","- C38 H34 I2 O8 P2 -","- C38 H34 I2 O8 P2 -","- C152 H136 I8 O32 P8 -","4","1","SJ5109","Gholizadeh, Mostafa; Mohammadi Zonoz, Farrokhzad; Pourayoubi, Mehrdad; Ebrahimpour, Maliheh; Salehabadi, Maryam","Triphenyl[2-(triphenylphosphaniumyl)ethyl]phosphanium bis(periodate)","Acta Crystallographica Section E","2011","67","4","o863","","10.1107/S1600536811008725","","","0.71073","MoKα","","0.0998","0.0689","","","0.1695","0.1897","","","","","","1.17","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229838","10.7673","0.0007","7.2986","0.0005","11.5145","0.0008","90","","116.124","0.001","90","","812.44","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,5-Bis(4-fluorophenyl)-2-methylsulfanyl-1-benzofuran","","- C21 H14 F2 O S -","- C21 H14 F2 O S -","- C42 H28 F4 O2 S2 -","2","1","SJ5110","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2,5-Bis(4-fluorophenyl)-2-methylsulfanyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o782","","10.1107/S1600536811007458","","","0.71073","MoKα","","0.0407","0.0379","","","0.0986","0.1006","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229839","10.737","0.002","14.728","0.002","9.132","0.001","90","","93.572","0.002","90","","1441.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(2-Methoxybenzylidene)-4-nitrobenzohydrazide","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C60 H52 N12 O16 -","4","1","SJ5112","Zhu, Hai-Yun","<i>N</i>'-(2-Methoxybenzylidene)-4-nitrobenzohydrazide","Acta Crystallographica Section E","2011","67","4","o812","","10.1107/S1600536811008014","","","0.71073","MoKα","","0.1442","0.0577","","","0.1187","0.1537","","","","","","0.988","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229840","10.3329","0.0006","15.8383","0.0008","10.6876","0.0006","90","","111.012","0.0016","90","","1632.78","0.16","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Chloro-2',4',6'-triethylbenzophenone","(4-chlorophenyl)(2,4,6-trimethylphenyl)methanone","","- C19 H21 Cl O -","- C19 H21 Cl O -","- C76 H84 Cl4 O4 -","4","1","SJ5114","Takahashi, Hiroki","4-Chloro-2',4',6'-triethylbenzophenone: a redetermination","Acta Crystallographica Section E","2011","67","4","o935","","10.1107/S1600536811009639","","","0.71075","MoKα","","0.0451","0.0395","","","0.0989","0.1036","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229841","3.904","0.003","7.662","0.006","28.81","0.02","90","","93.562","0.007","90","","860.1","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Methoxynaphthalene-1,4-dione","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","SJ5115","Jin, Bo; Song, Zhong-Cheng; Jiang, Fu-Sheng; Liu, Wen-Hong; Ding, Zhi-Shan","2-Methoxynaphthalene-1,4-dione","Acta Crystallographica Section E","2011","67","4","o947","","10.1107/S1600536811009883","","","0.71073","MoKα","","0.0793","0.0558","","","0.127","0.1359","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229842","7.7388","0.0001","16.1103","0.0003","11.3575","0.0002","90","","121.058","0.001","90","","1213","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1<i>H</i>-pyrazole-1- carbothioamide","","- C11 H11 N5 O S -","- C11 H11 N5 O S -","- C44 H44 N20 O4 S4 -","4","1","SJ5118","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul; Shetty, Shobhitha; Kalluraya, Balakrishna","3-Methyl-5-oxo-4-(2-phenylhydrazinylidene)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2011","67","4","o928","","10.1107/S1600536811009779","","","0.71073","MoKα","","0.0735","0.0485","","","0.12","0.135","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229843","7.1927","0.0011","31.042","0.004","7.3557","0.0011","90","","108.455","0.002","90","","1557.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-[(2-Hydroxy-1-naphthalen-1-yl)methylidene]- 3-methylbenzohydrazide","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","SJ5120","Liu, Shi-Yong; Sun, Shan-Shan; Zheng, Ting-Ting; Zheng, Xiang-Lei; Zhao, Xiao-Feng; Li, Xiao-Fang","(<i>E</i>)-<i>N</i>'-[(2-Hydroxy-1-naphthalen-1-yl)methylidene]-3-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","4","o965","","10.1107/S1600536811010361","","","0.71073","MoKα","","0.1395","0.0664","","","0.1339","0.1661","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229844","30.5837","0.0007","13.6682","0.0003","9.0454","0.0001","90","","90.161","0.002","90","","3781.18","0.13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-6-Bromo-3-{2-[2-(4-chlorobenzylidene)hydrazinyl]thiazol-5-yl}- 2<i>H</i>-chromen-2-one","","- C19 H11 Br Cl N3 O2 S -","- C19 H11 Br Cl N3 O2 S -","- C152 H88 Br8 Cl8 N24 O16 S8 -","8","1","SJ5122","Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun","(<i>E</i>)-6-Bromo-3-{2-[2-(4-chlorobenzylidene)hydrazinyl]thiazol-5-yl}-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","4","o1007","o1008","10.1107/S1600536811011172","","","0.71073","MoKα","","0.1541","0.0491","","","0.1043","0.1382","","","","","","0.974","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229845","6.8752","0.0002","10.1335","0.0003","12.7374","0.0004","78.578","0.001","88.984","0.001","85.874","0.001","867.58","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-{(<i>Z</i>)-2-[(<i>E</i>)-Benzylidenehydrazinylidene]-3,6-dihydro- 2<i>H</i>-1,3,4-thiadiazin-5-yl}-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate","","- C18 H14 N6 O2 S -","- C18 H14 N6 O2 S -","- C36 H28 N12 O4 S2 -","2","1","SJ5123","Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna","4-{(<i>Z</i>)-2-[(<i>E</i>)-Benzylidenehydrazinylidene]-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin-5-yl}-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate","Acta Crystallographica Section E","2011","67","4","o977","o978","10.1107/S1600536811010609","","","0.71073","MoKα","","0.0369","0.033","","","0.0955","0.1008","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229846","6.5806","0.0004","15.7789","0.0009","20.9378","0.0013","90","","90.684","0.002","90","","2173.9","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-Bromo-3-{2-[2-(2-chlorobenzylidene)hydrazinyl]thiazol-5-yl}- 2<i>H</i>-chromen-2-one dimethyl sulfoxide monosolvate","","- C21 H17 Br Cl N3 O3 S2 -","- C21 H17 Br Cl N3 O3 S2 -","- C84 H68 Br4 Cl4 N12 O12 S8 -","4","1","SJ5124","Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun","(<i>E</i>)-6-Bromo-3-{2-[2-(2-chlorobenzylidene)hydrazinyl]thiazol-5-yl}-2<i>H</i>-chromen-2-one dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2011","67","4","o1009","o1010","10.1107/S1600536811011160","","","0.71073","MoKα","","0.0509","0.0321","","","0.0623","0.0688","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229847","5.4568","0.0011","13.916","0.003","22.289","0.004","90","","90.847","0.003","90","","1692.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C80 H68 Cl8 N4 O4 -","4","1","SU2255","Nesterov, Volodymyr V.; Sarkisov, Sergey S.; Shulaev, Vladimir; Nesterov, Vladimir N.","3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one","Acta Crystallographica Section E","2011","67","4","o760","o761","10.1107/S1600536811006994","","","0.71073","MoKα","","0.0459","0.0343","","","0.0748","0.0802","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229848","8.8812","0.0009","9.0025","0.0009","11.8995","0.0005","90","","104.318","0.005","90","","921.85","0.14","290","","290","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ammonium piperidine-1-carbodithioate","","- C6 H14 N2 S2 -","- C6 H14 N2 S2 -","- C24 H56 N8 S8 -","4","1","SU2257","Mafud, Ana C.; Gambardella, Maria T. P.","Ammonium piperidine-1-carbodithioate","Acta Crystallographica Section E","2011","67","4","o879","","10.1107/S1600536811008129","","","0.71073","MoKα","","","0.0423","","","","0.123","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229849","8.5399","0.0007","26.667","0.002","20.9072","0.0018","90","","95.783","0.001","90","","4737","0.7","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>cyclo</i>-Tri-μ-oxido-tris{[(η^5^,η^5^)-1,2-bis(cyclopentadienyl)-1,1,2,2-tetramethyldisilane]zirconium(IV)}","","- C42 H60 O3 Si6 Zr3 -","- C42 H60 O3 Si6 Zr3 -","- C168 H240 O12 Si24 Zr12 -","4","1","SU2258","Arnold, Thomas; Braunschweig, Holger; Gruss, Katrin","<i>cyclo</i>-Tri-μ-oxido-tris{[(η^5^,η^5^)-1,2-bis(cyclopentadienyl)-1,1,2,2-tetramethyldisilane]zirconium(IV)}: a trimeric disila-bridged oxidozirconocene","Acta Crystallographica Section E","2011","67","4","m391","","10.1107/S1600536811007094","","","0.71073","MoKα","","0.0342","0.027","","","0.065","0.0693","","","","","","1.017","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229850","4.854","0.001","10.488","0.002","10.851","0.002","101.49","0.03","97.84","0.03","95.25","0.03","532.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-Ethyl-3,5-dinitrobenzamide","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C18 H18 N6 O10 -","2","1","SU2259","Xu, Jia-Ying; Cheng, Wei-Hua","<i>N</i>-Ethyl-3,5-dinitrobenzamide","Acta Crystallographica Section E","2011","67","4","o822","","10.1107/S160053681100804X","","","0.71073","MoKα","","0.0798","0.051","","","0.1398","0.1613","","","","","","1.008","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229851","16.9605","0.0003","7.4322","0.0001","17.259","0.0004","90","","105.839","0.002","90","","2092.96","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Carbonato-κ^2^<i>O</i>,<i>O</i>')bis(di-2-pyridylamine- κ^2^<i>N</i>,<i>N</i>')cobalt(III) bromide","","- C21 H18 Br Co N6 O3 -","- C21 H18 Br Co N6 O3 -","- C84 H72 Br4 Co4 N24 O12 -","4","1","SU2260","Czapik, Agnieszka; Papadopoulos, Christos; Lalia-Kantouri, Maria; Gdaniec, Maria","(Carbonato-κ^2^<i>O</i>,<i>O</i>')bis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) bromide","Acta Crystallographica Section E","2011","67","4","m414","m415","10.1107/S1600536811008051","","","0.71073","MoKα","","0.0533","0.0366","","","0.0746","0.08","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229852","4.9453","0.0001","20.4691","0.0004","10.4543","0.0003","90","","90","","90","","1058.25","0.04","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","2-Methyl-5,6-dinitrobenzimidazolium chloride","","- C8 H7 Cl N4 O4 -","- C8 H7 Cl N4 O4 -","- C32 H28 Cl4 N16 O16 -","4","0.5","SU2261","Dinçer, Sebla; Gönülalan, Gonca; Tercan, Barış; Hökelek, Tuncer","2-Methyl-5,6-dinitrobenzimidazolium chloride","Acta Crystallographica Section E","2011","67","4","o806","o807","10.1107/S1600536811008105","","","0.71073","MoKα","","0.0252","0.0242","","","0.0614","0.062","","","","","","1.106","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229853","23.7249","0.0005","10.5067","0.0002","15.246","0.0003","90","","116.988","0.001","90","","3386.52","0.12","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Poly[[μ-<i>N</i>,<i>N</i>'-Bis(5-chlorosalicylidene)- 1,4-butanediamine]copper(II)]","<i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dichloro-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}]","","- C18 H16 Cl2 Cu N2 O2 -","- C18 H16 Cl2 Cu N2 O2 -","- C144 H128 Cl16 Cu8 N16 O16 -","8","1","SU2262","Kargar, Hadi; Kia, Reza","<i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dichloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}]","Acta Crystallographica Section E","2011","67","4","m497","m498","10.1107/S1600536811009974","","","0.71073","MoKα","","0.0651","0.0411","","","0.0968","0.1082","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229854","24.0964","0.0009","10.5885","0.0003","15.3528","0.0005","90","","117.354","0.003","90","","3479.2","0.2","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Poly[<i>N,N'</i>-Bis(5-bromosalicylidene)-1,4-butanediamine copper(II)]","<i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dibromo-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}]","","- C18 H16 Br2 Cu N2 O2 -","- C18 H16 Br2 Cu N2 O2 -","- C144 H128 Br16 Cu8 N16 O16 -","8","1","SU2263","Kargar, Hadi; Kia, Reza","<i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dibromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}]","Acta Crystallographica Section E","2011","67","4","m499","m500","10.1107/S1600536811009949","","","0.71073","MoKα","","0.0621","0.0493","","","0.1315","0.1387","","","","","","1.185","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229855","16.9168","0.0005","15.2448","0.0003","11.8402","0.0003","90","","90","","90","","3053.51","0.13","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido- κ^2^<i>N</i>,<i>N</i>']bis(dimethyl sulfoxide-κ<i>O</i>)cadmium","","- C24 H30 Cd N8 O6 S4 -","- C24 H30 Cd N8 O6 S4 -","- C96 H120 Cd4 N32 O24 S16 -","4","0.5","TK2721","Hossain, G. M. Golzar","<i>cis</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido-κ^2^<i>N</i>,<i>N</i>']bis(dimethyl sulfoxide-κ<i>O</i>)cadmium","Acta Crystallographica Section E","2011","67","4","m505","m506","10.1107/S1600536811010816","","","0.71073","MoKα","","0.0697","0.0446","","","0.0962","0.1022","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229856","4.7971","0.0006","10.6035","0.0013","11.2523","0.0014","117.521","0.002","92.451","0.002","94.971","0.002","503.46","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Nitrophenoxy)butanol","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","TK2724","Akhter, Zareen; McKee, Vickie; Saif Ullah Khan, Muhammad; Iftikhar, Bushra; Siddiqi, Humaira M.","4-(4-Nitrophenoxy)butanol","Acta Crystallographica Section E","2011","67","4","o800","","10.1107/S1600536811007744","","","0.71073","MoKα","","0.0593","0.0451","","","0.1294","0.139","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229857","15.1435","0.0001","8.4364","0.0001","22.9454","0.0002","90","","90","","90","","2931.43","0.05","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","1","TK2725","Jasinski, Jerry P.; Butcher, Ray J.; Musthafa Khaleel, V.; Sarojini, B. K.; Narayana, B.","(2<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o813","","10.1107/S1600536811007781","","","1.54184","CuKα","","0.05","0.0438","","","0.1262","0.1315","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229858","7.8737","0.0009","9.717","0.001","14.616","0.002","90","","94.575","0.009","90","","1114.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-Bis(2-chlorophenylsulfonyl)suberamide","<i>N</i>,<i>N</i>'-Bis(2-chlorophenylsulfonyl)octanediamide","","- C20 H22 Cl2 N2 O6 S2 -","- C20 H22 Cl2 N2 O6 S2 -","- C40 H44 Cl4 N4 O12 S4 -","2","0.5","TK2727","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(2-chlorophenylsulfonyl)suberamide","Acta Crystallographica Section E","2011","67","4","o884","","10.1107/S1600536811009196","","","0.71073","MoKα","","0.0547","0.0377","","","0.0971","0.1043","","","","","","1.054","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229859","12.1057","0.0007","17.5943","0.0008","16.7084","0.0008","90","","95.946","0.003","90","","3539.6","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tris(tetrabutylammonium) tris(nitrato-κ^2^<i>O</i>,<i>O</i>')tetrakis(thiocyanato-κ<i>N</i>)thorium(IV)","","- C52 H108 N10 O9 S4 Th -","- C52 H108 N10 O9 S4 Th -","- C104 H216 N20 O18 S8 Th2 -","2","1","TK2728","Lozano-Rodriguez, M. Janeth; Thuéry, Pierre; Petit, Sébastien; Copping, Roy; Mustre de Leon, Jose; Den Auwer, Christophe","Tris(tetrabutylammonium) tris(nitrato-κ^2^<i>O</i>,<i>O</i>')tetrakis(thiocyanato-κ<i>N</i>)thorium(IV)","Acta Crystallographica Section E","2011","67","4","m487","","10.1107/S1600536811009792","","","0.71073","MoKα","","0.0526","0.0372","","","0.0832","0.089","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229860","8.3876","0.0004","12.1772","0.0006","20.7479","0.0011","90","","90","","90","","2119.14","0.18","200","2","200","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Bis(2,2'-bipyrimidine-κ^2^<i>N</i>,<i>N</i>')dibromidomanganese(II) nitromethane monosolvate","","- C17 H15 Br2 Mn N9 O2 -","- C17 H15 Br2 Mn N9 O2 -","- C68 H60 Br8 Mn4 N36 O8 -","4","0.5","TK2729","Ha, Kwang","<i>cis</i>-Bis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)dibromidomanganese(II) nitromethane monosolvate","Acta Crystallographica Section E","2011","67","4","m474","","10.1107/S1600536811010075","","","0.71073","MoKα","","0.0859","0.0431","","","0.0593","0.0777","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229861","5.9586","0.0007","25.397","0.003","10.7804","0.0012","90","","90.038","0.002","90","","1631.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclopentyl-3-methylsulfinyl-2-phenyl-1-benzofuran","","- C20 H20 O2 S -","- C20 H20 O2 S -","- C80 H80 O8 S4 -","4","1","TK2730","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclopentyl-3-methylsulfinyl-2-phenyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o1000","","10.1107/S1600536811010920","","","0.71073","MoKα","","0.0681","0.0551","","","0.132","0.1387","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2229862","14.95","0.002","12.888","0.002","14.568","0.002","90","","111.41","0.01","90","","2613.2","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-Chloro-<i>N</i>-(2-chlorophenyl)benzenesulfonamide","","- C12 H9 Cl2 N O2 S -","- C12 H9 Cl2 N O2 S -","- C96 H72 Cl16 N8 O16 S8 -","8","1","TK2731","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2-chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o988","","10.1107/S1600536811010828","","","0.71073","MoKα","","0.0591","0.0419","","","0.1066","0.1156","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229863","6.1371","0.0002","8.2535","0.0004","21.9867","0.0009","90","","94.929","0.003","90","","1109.56","0.08","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Nitrobenzyl)morpholine","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","1","VM2073","Yang, Ling-Ling; Zheng, Ren-Lin; Li, Guo-Bo; Sun, Qi-Zheng; Xie, Yong-Mei","4-(4-Nitrobenzyl)morpholine","Acta Crystallographica Section E","2011","67","4","o754","","10.1107/S1600536811005964","","","0.7107","MoKα","","0.0672","0.0437","","","0.0942","0.1056","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229864","14.554","0.003","7.762","0.0016","14.634","0.003","90","","96.14","0.03","90","","1643.7","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(3,5-dimethoxyphenyl)phosphinic acid","","- C16 H19 O6 P -","- C16 H19 O6 P -","- C64 H76 O24 P4 -","4","1","VM2080","Cheng, Wei; Feng, Zhi-Qiang; Tang, Jun-Mei","Bis(3,5-dimethoxyphenyl)phosphinic acid","Acta Crystallographica Section E","2011","67","4","o896","","10.1107/S1600536811008440","","","0.71073","MoKα","","0.0827","0.0537","","","0.1406","0.1618","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229865","11.826","0.008","13.376","0.008","13.479","0.008","90","","90","","90","","2132","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>^1^,<i>N</i>^1^-Dimethylpropane-1,2-diaminium bis(6-carboxypyridine-2-carboxylate) monohydrate","","- C19 H26 N4 O9 -","- C19 H26 N4 O9 -","- C76 H104 N16 O36 -","4","1","VM2081","Aghabozorg, Hossein; Foroughian, Mahsa; Foroumadi, Alireza; Bruno, Giuseppe; Amiri Rudbari, Hadi","<i>N</i>^1^,<i>N</i>^1^-Dimethylpropane-1,2-diaminium bis(6-carboxypyridine-2-carboxylate) monohydrate","Acta Crystallographica Section E","2011","67","4","o932","o933","10.1107/S1600536811009287","","","0.71073","MoKα","","0.0297","0.0286","","","0.0825","0.0838","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229866","11.928","0.002","5.523","0.001","16.447","0.004","90","","96.05","0.02","90","","1077.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>'-Bis[(2-methylphenyl)sulfonyl]adipamide","<i>N</i>,<i>N</i>'-Bis[(2-methylphenyl)sulfonyl]hexanediamide","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C40 H48 N4 O12 S4 -","2","0.5","VM2082","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis[(2-methylphenyl)sulfonyl]adipamide","Acta Crystallographica Section E","2011","67","4","o789","","10.1107/S1600536811007203","","","0.71073","MoKα","","0.1127","0.0758","","","0.1301","0.1471","","","","","","1.305","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229867","11.722","0.003","5.137","0.001","12.488","0.003","90","","105.09","0.02","90","","726","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methyl-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C28 H24 N4 O10 S2 -","2","1","VM2084","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","4-Methyl-<i>N</i>-(4-nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o917","","10.1107/S1600536811009470","","","0.71073","MoKα","","0.0614","0.0506","","","0.1194","0.1275","","","","","","1.171","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229868","3.8788","0.00006","3.8788","","26.2669","0.0004","90","","90","","90","","395.188","0.009","298","","298","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lithium calcium niobium oxide (2/1.5/3/10)","","- Ca1.5 Li2 Nb3 O10 -","- Ca1.5 Li2 Nb3 O10 -","- Ca3 Li4 Nb6 O20 -","2","0.0625","VN2001","Zhu, Bai-Chuan; Tang, Kai-Bin","Li~2~Ca~1.5~Nb~3~O~10~ from X-ray powder data","Acta Crystallographica Section E","2011","67","4","i25","","10.1107/S160053681100688X","powder diffraction","","1.54178","CuKα","","","","","","","","","","0.84","","","","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2229869","7.0999","0.0008","8.0679","0.0008","29.933","0.003","90","","95.314","0.002","90","","1707.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dimethylphenyl)piperazine-1,4-diium tetrachloridozincate monohydrate","","- C12 H22 Cl4 N2 O Zn -","- C12 H22 Cl4 N2 O Zn -","- C48 H88 Cl16 N8 O4 Zn4 -","4","1","VN2004","Kefi, Riadh; Lefebvre, Frédéric; Zeller, Matthias; Ben Nasr, Cherif","1-(2,5-Dimethylphenyl)piperazine-1,4-diium tetrachloridozincate monohydrate","Acta Crystallographica Section E","2011","67","4","m410","","10.1107/S1600536811007562","","","0.71073","MoKα","","0.0284","0.0266","","","0.0637","0.0644","","","","","","1.131","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229870","11.1449","0.0017","13.349","0.002","8.4394","0.0013","90","","103.728","0.002","90","","1219.7","0.3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis[chloridobis(dimethyl sulfoxide-κ<i>O</i>)tin(II)]","","- C4 H12 Cl2 O2 S2 Sn -","- C4 H12 Cl2 O2 S2 Sn -","- C16 H48 Cl8 O8 S8 Sn4 -","4","1","VN2005","Barbul, Ioana; Varga, Richard A.; Silvestru, Cristian","Di-μ-chlorido-bis[chloridobis(dimethyl sulfoxide-κ<i>O</i>)tin(II)]","Acta Crystallographica Section E","2011","67","4","m486","","10.1107/S1600536811009895","","","0.71073","MoKα","","0.0629","0.0498","","","0.0922","0.0968","","","","","","1.182","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2229871","3.84155","0.0001","3.84155","","13.4695","0.0004","90","","90","","90","","198.776","0.008","298","","298","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Potassium lanthanum titanate","","- K La O4 Ti -","- K La O4 Ti -","- K2 La2 O8 Ti2 -","2","0.125","WM2446","Zhu, Bai-Chuan; Tang, Kai-Bin","Rietveld refinement of KLaTiO~4~ from X-ray powder data","Acta Crystallographica Section E","2011","67","4","i26","","10.1107/S1600536811006891","powder diffraction","","1.54178","CuKα","","","","","","","","","","1.49","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2229872","6.7353","0.0003","8.0757","0.0004","15.017","0.0006","79.45","0.004","86.32","0.004","89.828","0.004","801.31","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-6-methylpyridinium) <i>trans</i>-diaquabis(pyrazine-2,3-dicarboxylato)cuprate(II) hexahydrate","","- C24 H38 Cu N8 O16 -","- C24 H38 Cu N8 O16 -","- C24 H38 Cu N8 O16 -","1","0.5","WM2462","Eshtiagh-Hosseini, Hossein; Hassanpoor, Azam; Mirzaei, Masoud; Szymańska-Buzar, Teresa; Kochel, Andrzej","Bis(2-amino-6-methylpyridinium) <i>trans</i>-diaquabis(pyrazine-2,3-dicarboxylato)cuprate(II) hexahydrate","Acta Crystallographica Section E","2011","67","4","m455","m456","10.1107/S1600536811008981","","","0.71073","MoKα","","0.0366","0.0304","","","0.0795","0.0818","","","","","","1.094","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229873","18.184","0.004","13.009","0.003","13.112","0.003","90","","122.13","0.03","90","","2626.7","1.3","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')cobalt(II) butane-2,3-diol monosolvate","","- C28 H26 Co N4 O6 S -","- C28 H26 Co N4 O6 S -","- C112 H104 Co4 N16 O24 S4 -","4","0.5","WM2463","Wang, Shi-Juan; Zhong, Kai-Long","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) butane-2,3-diol monosolvate","Acta Crystallographica Section E","2011","67","4","m446","","10.1107/S1600536811009147","","","0.71073","MoKα","","0.0546","0.0462","","","0.1045","0.1088","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229874","10.1039","0.001","13.9448","0.0014","16.4237","0.0016","90","","95.522","0.001","90","","2303.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5-Aminoisophthalato-κ<i>N</i>)triaqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')nickel(II) trihydrate","","- C20 H25 N3 Ni O10 -","- C20 H25 N3 Ni O10 -","- C80 H100 N12 Ni4 O40 -","4","1","WM2464","Huang, Han; Zhang, Kou-Lin; Ng, Seik Weng","(5-Aminoisophthalato-κ<i>N</i>)triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) trihydrate","Acta Crystallographica Section E","2011","67","4","m444","m445","10.1107/S1600536811008919","","","0.71073","MoKα","","0.0585","0.0373","","","0.0746","0.0807","","","","","","0.89","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229875","5.4507","0.0002","9.7352","0.0004","31.3738","0.0014","94.155","0.004","94.261","0.004","95.576","0.004","1647.02","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4-(Benzyloxy)phenyl 4-hexadecyloxy-3-methoxybenzoate","","- C37 H50 O5 -","- C37 H50 O5 -","- C74 H100 O10 -","2","1","WN2423","Al-Eryani, Waleed Fadl Ali; Srinivasa, H. T.; Jeyaseelan, S.; Sadashivaiah, T.; Devarajegowda, H. C.","4-(Benzyloxy)phenyl 4-hexadecyloxy-3-methoxybenzoate","Acta Crystallographica Section E","2011","67","4","o840","","10.1107/S1600536811008403","","","0.71073","MoKα","","0.1394","0.0518","","","0.118","0.1313","","","","","","0.909","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229876","12.8965","0.0011","9.4449","0.0008","11.6425","0.001","90","","98.63","0.001","90","","1402.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one","","- C12 H16 Cl O4 P -","- C12 H16 Cl O4 P -","- C48 H64 Cl4 O16 P4 -","4","1","WN2424","Wang, Chubei; Peng, Hao; He, Hongwu","2-[(4-Chlorophenyl)(hydroxy)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one","Acta Crystallographica Section E","2011","67","4","o926","","10.1107/S1600536811008944","","","0.71073","MoKα","","0.0675","0.062","","","0.1503","0.1538","","","","","","1.152","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229877","14.2596","0.0005","11.48","0.0003","8.3602","0.0002","90","","90","","90","","1368.57","0.07","293","2","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","3-Fluoro-4-nitrophenyl 4-methylbenzenesulfonate","","- C13 H10 F N O5 S -","- C13 H10 F N O5 S -","- C52 H40 F4 N4 O20 S4 -","4","1","XU5126","Ang, Wei; Luo, You-Fu; Deng, Yong","3-Fluoro-4-nitrophenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","4","o750","","10.1107/S1600536811005903","","","0.7107","MoKα","","0.0446","0.034","","","0.0774","0.0832","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229878","7.3486","0.0004","13.5417","0.0007","15.1244","0.0008","72.534","0.001","76.33","0.001","80.166","0.001","1386.89","0.13","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[[dodecaaquahexakis(μ~2~-pyridine-2,5- dicarboxylato)tricopper(II)diytterbium(III)] dihydrate]","","- C42 H50 Cu3 N6 O40 Yb2 -","- C42 H50 Cu3 N6 O40 Yb2 -","- C42 H50 Cu3 N6 O40 Yb2 -","1","0.5","XU5166","Shen, Fwu Ming; Lush, Shie Fu","Poly[[dodecaaquahexakis(μ~2~-pyridine-2,5-dicarboxylato)tricopper(II)diytterbium(III)] dihydrate]","Acta Crystallographica Section E","2011","67","4","m406","m407","10.1107/S1600536811007446","","","0.71073","MoKα","","0.0592","0.0491","","","0.0809","0.0833","","","","","","1.227","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229879","5.9536","0.0003","19.4819","0.0009","14.431","0.0007","90","","96.798","0.001","90","","1662.05","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Di-<i>tert</i>-butyl-4-(3-chloro-2-hydroxypropyl)phenol","","- C17 H27 Cl O2 -","- C17 H27 Cl O2 -","- C68 H108 Cl4 O8 -","4","1","XU5167","Asgarova, Ayten R.; Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Ng, Seik Weng","2,6-Di-<i>tert</i>-butyl-4-(3-chloro-2-hydroxypropyl)phenol","Acta Crystallographica Section E","2011","67","4","o852","","10.1107/S1600536811008592","","","0.71073","MoKα","","0.0563","0.0492","","","0.1272","0.1312","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229880","18.9148","0.0012","23.7112","0.0016","7.8701","0.0004","90","","90","","90","","3529.7","0.4","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[diaqua(1,3-benzimidazole-κ<i>N</i>^3^)manganese(II)]- μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] dihydrate]","","- C15 H18 Mn N2 O8 -","- C15 H18 Mn N2 O8 -","- C120 H144 Mn8 N16 O64 -","8","1","XU5169","Wang, Xiao-Hui","<i>catena</i>-Poly[[[diaqua(1,3-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] dihydrate]","Acta Crystallographica Section E","2011","67","4","m423","m424","10.1107/S1600536811008555","","","0.71073","MoKα","","0.0442","0.0315","","","0.081","0.0912","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229881","8.149","0.004","11.744","0.005","14.439","0.007","72.752","0.005","84.269","0.005","70.601","0.005","1244.8","1","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(8-Benzyloxy-2,3-dihydro-1,4-benzodioxin-6-yl)- 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]prop-2-en-1-one","","- C28 H28 O9 -","- C28 H28 O9 -","- C56 H56 O18 -","2","1","XU5171","Zhang, Yu; Zhang, Yi-Nan; Liu, Ming-Ming; Ryu, Kum-Chol; Ye, De-Yong","(<i>E</i>)-3-(8-Benzyloxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o912","o913","10.1107/S160053681100924X","","","0.71073","MoKα","","0.082","0.0607","","","0.1784","0.1946","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229882","17.2644","0.0012","20.4707","0.0016","7.9139","0.0005","90","","90","","90","","2796.9","0.3","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","<i>N</i>-Cyclohexyl-4-methoxybenzenesulfonamide","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C104 H152 N8 O24 S8 -","8","","XU5173","Khan, Muneeb Hayat; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Mughal, Shumaila Younas; Akkurt, Mehmet","<i>N</i>-Cyclohexyl-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2011","67","4","o885","o886","10.1107/S1600536811009172","","","0.71073","MoKα","","0.0747","0.0483","","","0.1176","0.1363","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","201978","2020-10-21","18:00:00",""
"2229883","8.6635","0.0004","12.6935","0.0007","13.6679","0.0008","112.7","0.002","101.386","0.001","96.718","0.001","1327.97","0.13","193","2","193","2","","","","","","","","5","P -1","-P 1","2","eprosartan mesylate","2-butyl-1-(4-carboxybenzyl)-5-[(<i>E</i>)-2-carboxy-3-(thiophen-2-yl)prop- 1-enyl]-1<i>H</i>-imidazol-3-ium methanesulfonate","","- C24 H28 N2 O7 S2 -","- C24 H28 N2 O7 S2 -","- C48 H56 N4 O14 S4 -","2","1","YA2135","Qian, Jing-Jing; Hu, Xiu-Rong; Gu, Jianming; Wu, Su-Xiang","Eprosartan mesylate, an angiotensin II receptor antagonist","Acta Crystallographica Section E","2011","67","4","o770","o771","10.1107/S1600536811006659","","","0.71073","MoKα","","0.111","0.083","","","0.205","0.225","","","","","","0.99","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229884","8.652","0.003","11.728","0.005","11.972","0.006","117.21","0.03","98.05","0.02","107.17","0.03","976.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis[1-(3-ammoniopropyl)-1H-imidazolium] decaiodotriplumbate(II)","<i>catena</i>-poly[bis[1-(3-ammoniopropyl)-1<i>H</i>-imidazolium] [[iodidoplumbate(II)]-tri-μ-iodido-plumbate(II)-tri-μ-iodido- [iodidoplumbate(II)]-di-μ-iodido]]","","- C12 H26 I10 N6 Pb3 -","- C12 H26 I10 N6 Pb3 -","- C12 H26 I10 N6 Pb3 -","1","0.5","YK2002","Trigui, A.; Boughzala, H.; Driss, A.; Abid, Y.","The one-dimensional organic‒inorganic hybrid: <i>catena</i>-poly[bis[1-(3-ammoniopropyl)-1<i>H</i>-imidazolium] [[iodidoplumbate(II)]-tri-μ-iodido-plumbate(II)-tri-μ-iodido-[iodidoplumbate(II)]-di-μ-iodido]]","Acta Crystallographica Section E","2011","67","4","m458","m459","10.1107/S160053681100941X","","","0.71073","MoKα","","0.0646","0.0363","","","0.0972","0.1099","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229885","31.251","0.008","10.006","0.003","17.653","0.005","90","","103.952","0.005","90","","5357","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline- κ^2^<i>N</i>,<i>N</i>']bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato- κ^2^<i>O</i>,<i>O'</i>)nickel(II)","","- C22 H11 Br F12 N2 Ni O4 -","- C22 H11 Br F12 N2 Ni O4 -","- C176 H88 Br8 F96 N16 Ni8 O32 -","8","1","ZB2010","Harding, Phimphaka; Harding, David J.; Soponrat, Nitisastr; Adams, Harry","[4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2011","67","4","m404","m405","10.1107/S1600536811005599","","","0.71073","MoKα","","0.0993","0.0542","","","0.1102","0.1322","","","","","","0.909","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229886","16.694","0.003","8.705","0.004","18.474","0.003","90","","103.27","0.04","90","","2613","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5''-(4-Chlorobenzylidene)-4'-(4-chlorophenyl)-5-fluoro-1',1''-dimethylindoline- 3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione","","- C30 H26 Cl2 F N3 O2 -","- C30 H26 Cl2 F N3 O2 -","- C120 H104 Cl8 F4 N12 O8 -","4","1","ZJ2003","Sundar, J. Kalyana; Bala, B. Devi; Natarajan, S.; Suresh, J.; Lakshman, P. L. Nilantha","5''-(4-Chlorobenzylidene)-4'-(4-chlorophenyl)-5-fluoro-1',1''-dimethylindoline-3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione","Acta Crystallographica Section E","2011","67","4","o801","o802","10.1107/S1600536811007550","","","0.71073","MoKα","","0.0774","0.0355","","","0.0884","0.1043","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229887","12.4063","0.0007","14.2445","0.0008","31.3633","0.0017","90","","91.6675","0.0009","90","","5540.2","0.5","294","2","294","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']{2-[(4- nitrobenzoylmethyl)diphenylphosphanyl]phenyl- κ^2^<i>C</i>,<i>C</i>'}palladium(II) trifluoromethanesulfonate‒dichloromethane‒<i>n</i>-hexane (1/1/0.5)","","- C57 H52 Cl2 F3 N O6 P3 Pd S -","- C57 H52 Cl2 F3 N O6 P3 Pd S -","- C228 H208 Cl8 F12 N4 O24 P12 Pd4 S4 -","4","1","ZJ2004","Rizzoli, Corrado; Karami, Kazem; Borzooie, Farzaneh","[1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']{2-[(4-nitrobenzoylmethyl)diphenylphosphanyl]phenyl-κ^2^<i>C</i>,<i>C</i>'}palladium(II) trifluoromethanesulfonate‒dichloromethane‒<i>n</i>-hexane (1/1/0.5)","Acta Crystallographica Section E","2011","67","4","m416","m417","10.1107/S1600536811008075","","","0.71073","MoKα","","0.0441","0.0291","","","0.0717","0.0761","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229888","8.3273","0.0007","9.5614","0.0008","13.0681","0.0011","90","","92.698","0.001","90","","1039.34","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Pyridin-4-ylthio)pentane-2,4-dione","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C40 H44 N4 O8 S4 -","4","1","ZJ2007","Zhang, Qing-Fu; Pang, Jian-Dong; Sun, De-Zhi; Liu, Cai-Hua","3-(Pyridin-4-ylthio)pentane-2,4-dione","Acta Crystallographica Section E","2011","67","4","o1023","","10.1107/S1600536811011330","","","0.71073","MoKα","","0.0574","0.0384","","","0.0997","0.1195","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229889","7.311","0.001","19.567","0.002","20.342","0.001","90","","91.85","0.01","90","","2908.5","0.5","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Benzenecarbothioamide-κ<i>S</i>)pentacarbonyltungsten(0)","","- C12 H7 N O5 S W -","- C12 H7 N O5 S W -","- C96 H56 N8 O40 S8 W8 -","8","2","ZK2003","Merniz, Salah; Mokhtari, Mahiedine; Bouacida, Sofiane; Ouahab, Lahcène; Mousser, Abdelhamid","(Benzenecarbothioamide-κ<i>S</i>)pentacarbonyltungsten(0)","Acta Crystallographica Section E","2011","67","4","m429","m430","10.1107/S1600536811008579","","","0.71073","MoKα","","0.0576","0.0431","","","0.1125","0.1221","","","","","","1.085","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229890","12.5125","0.0002","11.3273","0.0002","16.729","0.0003","90","","95.174","0.001","90","","2361.39","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(<i>N</i>,<i>N</i>,<i>N</i>-trimethylethanaminium) bis(1,4-tetraselenido-κ^2^<i>Se</i>^1^,<i>Se</i>^4^)cadmate","","- C10 H28 Cd N2 Se8 -","- C10 H28 Cd N2 Se8 -","- C40 H112 Cd4 N8 Se32 -","4","1","ZL2349","Kim, Jaemyeong; Kim, Kang-Woo","Bis(<i>N</i>,<i>N</i>,<i>N</i>-trimethylethanaminium) bis(1,4-tetraselenido-κ^2^<i>Se</i>^1^,<i>Se</i>^4^)cadmate","Acta Crystallographica Section E","2011","67","4","m394","","10.1107/S1600536811007227","","","0.71073","MoKα","","0.0417","0.032","","","","0.0814","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229891","7.6927","0.0003","10.8558","0.0004","12.9969","0.0005","95.79","0.001","101.126","0.001","92.192","0.001","1057.69","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-<i>N</i>-(4,5-dihydro-1<i>H</i>-imidazol-2-yl)-2,1,3-benzothiadiazol- 4-amine","","- C9 H8 Cl N5 S -","- C9 H8 Cl N5 S -","- C36 H32 Cl4 N20 S4 -","4","2","ZL2351","John, Peter; Khan, Islam Ullah; Akkurt, Mehmet; Ramzan, Muhammad Shahid; Sharif, Shahzad","5-Chloro-<i>N</i>-(4,5-dihydro-1<i>H</i>-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (tizanidine)","Acta Crystallographica Section E","2011","67","4","o838","o839","10.1107/S1600536811008348","","","0.71073","MoKα","","0.0487","0.0418","","","0.1128","0.1204","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229892","12.919","0.003","15.748","0.003","16.045","0.003","90","","90","","90","","3264.3","1.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","14-Benzoylmesaconine hydrochloride methanol monosolvate","8-benzoyloxy-4,9,11,11a-tetrahydroxy-6,10,13-trimethoxy-3-methoxymethyl- 1-methyltetradecahydro-1<i>H</i>-3,6a,12-(epiethane-1,1,2-triyl)-7,9- methanonaphtho[2,3-<i>b</i>]azocin-1-ium chloride methanol monosolvate","","- C32 H48 Cl N O11 -","- C32 H48 Cl N O11 -","- C128 H192 Cl4 N4 O44 -","4","1","ZL2352","Mu, Yan; Li, Lin; Wei, Hai-Liu; Kuang, Tong-Chun; Hu, Song-Qing","14-Benzoylmesaconine hydrochloride methanol monosolvate","Acta Crystallographica Section E","2011","67","4","o974","o975","10.1107/S1600536811010300","","","0.71073","MoKα","","0.097","0.0468","","","0.0979","0.1507","","","","","","1.095","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229893","16.5136","0.0006","6.2186","0.0003","16.3487","0.0007","90","","113.802","0.003","90","","1536.08","0.12","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-7a-Bromo-2-[(4-methylphenyl)sulfonyl]- 1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole","","- C15 H16 Br N O3 S -","- C15 H16 Br N O3 S -","- C60 H64 Br4 N4 O12 S4 -","4","1","ZL2354","Koşar, Başak; Demircan, Aydın; Arslan, Hakan; Büyükgüngör, Orhan","(3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-7a-Bromo-2-[(4-methylphenyl)sulfonyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole","Acta Crystallographica Section E","2011","67","4","o994","o995","10.1107/S1600536811010750","","","0.71069","MoKα","","0.069","0.0478","","","0.1151","0.1255","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229894","4.933","0.002","13.33","0.005","14.498","0.006","78.566","0.005","89.111","0.005","82.554","0.005","926.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(1<i>H</i>-Benzimidazole-5-carboxylic acid-κ<i>N</i>^3^)(1<i>H</i>- benzimidazole-6-carboxylic acid-κ<i>N</i>^3^)silver(I) perchlorate","","- C16 H12 Ag Cl N4 O8 -","- C16 H12 Ag Cl N4 O8 -","- C32 H24 Ag2 Cl2 N8 O16 -","2","1","ZL2355","Ma, Li; Huang, Yu-Hua; Xu, Jian-Feng; Deng, Hong","(1<i>H</i>-Benzimidazole-5-carboxylic acid-κ<i>N</i>^3^)(1<i>H</i>-benzimidazole-6-carboxylic acid-κ<i>N</i>^3^)silver(I) perchlorate","Acta Crystallographica Section E","2011","67","4","m494","m495","10.1107/S1600536811010427","","","0.71073","MoKα","","0.053","0.0396","","","0.0953","0.1025","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229895","12.5066","0.0006","3.8833","0.0002","27.9659","0.0014","90","","90","","90","","1358.22","0.12","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Ammonium 2-aminopyrazine-3-carboxylate","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C40 H64 N32 O16 -","8","2","ZL2357","Lutz, Martin; Jakobi, Arjen J.","Ammonium 2-aminopyrazine-3-carboxylate","Acta Crystallographica Section E","2011","67","4","o984","","10.1107/S1600536811010865","","","0.71073","MoKα","","0.0266","0.0255","","","0.0709","0.0721","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229896","5.745","0.0007","17.052","0.002","18.701","0.003","115.199","0.002","95.238","0.002","95.922","0.002","1630.1","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4,4',5,5'-Tetrakis(benzylsulfanyl)tetrathiafulvalene","","- C34 H28 S8 -","- C34 H28 S8 -","- C68 H56 S16 -","2","1","ZQ2088","Yu, Cheng-Xiang; Zhu, Yu-Lan; Chen, Zhao-Xiang; Lu, Ming-Zhu; Wang, Kun","4,4',5,5'-Tetrakis(benzylsulfanyl)tetrathiafulvalene","Acta Crystallographica Section E","2011","67","4","o821","","10.1107/S1600536811007823","","","0.71073","MoKα","","0.0911","0.0482","","","0.1215","0.1569","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229897","8.7426","0.0007","9.2727","0.0007","9.342","0.0007","70.017","0.007","72.609","0.007","87.579","0.006","677.68","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6,8-dichloro-<i>N</i>-methyl-3-nitro-4-nitromethyl-4<i>H</i>-chromen-2-amine","","- C11 H9 Cl2 N3 O5 -","- C11 H9 Cl2 N3 O5 -","- C22 H18 Cl4 N6 O10 -","2","1","ZQ2089","Muthukumaran, J.; Parthiban, A.; Kannan, M.; Rao, H. Surya Prakash; Krishna, R.","6,8-Dichloro-<i>N</i>-methyl-3-nitro-4-nitromethyl-4<i>H</i>-chromen-2-amine","Acta Crystallographica Section E","2011","67","4","o898","o899","10.1107/S1600536811009366","","","0.71073","MoKα","","0.0363","0.0318","","","0.1069","0.1098","","","","","","1.006","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229898","9.2531","0.0002","10.1934","0.0002","10.8151","0.0002","81.127","0.001","66.716","0.001","72.248","0.001","891.73","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Cyclohexyl-3-(4-fluorophenylsulfinyl)-2-methyl-1-benzofuran","","- C21 H21 F O2 S -","- C21 H21 F O2 S -","- C42 H42 F2 O4 S2 -","2","1","ZQ2090","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-3-(4-fluorophenylsulfinyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","4","o768","","10.1107/S1600536811007112","","","0.71073","MoKα","","0.0478","0.04","","","0.1057","0.1108","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229899","11.853","0.002","9.6507","0.0018","22.921","0.004","90","","90","","90","","2621.9","0.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-2-fluorobenzohydrazide","","- C14 H10 Br F N2 O -","- C14 H10 Br F N2 O -","- C112 H80 Br8 F8 N16 O8 -","8","1","ZQ2093","Zhang, Dong-Fang; Liu, Da-Yong; Li, Chuan-Xun; Huang, Shan-Shan; Zhang, Bao-Jing","(<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-2-fluorobenzohydrazide","Acta Crystallographica Section E","2011","67","4","o940","","10.1107/S1600536811009937","","","0.71073","MoKα","","0.0899","0.0432","","","0.0823","0.0958","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229900","11.6196","0.0006","8.4254","0.0004","19.6194","0.001","90","","106.247","0.001","90","","1844.03","0.16","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-[(2-oxido-1-naphthyl-κ<i>O</i>)methylidene]benzohydrazidato-\ κ^2^<i>N</i>,<i>O</i>](pyridine)copper(II)","(2-Oxido-1-naphthaldehyde benzoylhydrazonato-κ^3^<i>N</i>,<i>N</i>', <i>O</i>)pyridinecopper(II)","","- C23 H17 Cu N3 O2 -","- C23 H17 Cu N3 O2 -","- C92 H68 Cu4 N12 O8 -","4","1","ZQ2095","Zou, Li-Fei; Yang, Xiu-Yun; Gao, Ying; Yao, Hai-Bo; Li, Yun-Hui","(2-Oxido-1-naphthaldehyde benzoylhydrazonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)pyridinecopper(II)","Acta Crystallographica Section E","2011","67","4","m511","","10.1107/S1600536811011081","","","0.71073","MoKα","","0.0501","0.0356","","","0.0789","0.0856","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229901","7.415","0.003","11.426","0.004","10.95","0.004","90","","97.307","0.007","90","","920.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[tetraaqua[<i>trans</i>-1,2-bis(4-pyridyl)ethene- κ^2^<i>N</i>:<i>N</i>']nickel(II)] dinitrate]","","- C12 H18 N4 Ni O10 -","- C12 H18 N4 Ni O10 -","- C24 H36 N8 Ni2 O20 -","2","0.5","ZS2096","Hyun, Min Young; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee","<i>catena</i>-Poly[[tetraaqua[<i>trans</i>-1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']nickel(II)] dinitrate]","Acta Crystallographica Section E","2011","67","4","m390","","10.1107/S1600536811007021","","","0.71073","MoKα","","0.1001","0.0684","","","0.183","0.2378","","","","","","1.136","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229902","9.2162","0.0014","10.0174","0.0014","35.051","0.005","90","","90","","90","","3236","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Picric acid‒2,4,6-trichloroaniline (1/1)","","- C12 H7 Cl3 N4 O7 -","- C12 H7 Cl3 N4 O7 -","- C96 H56 Cl24 N32 O56 -","8","1","ZS2097","Wang, Wan-Qiang","Picric acid‒2,4,6-trichloroaniline (1/1)","Acta Crystallographica Section E","2011","67","4","o860","","10.1107/S160053681100571X","","","0.71073","MoKα","","0.0886","0.0581","","","0.1105","0.1203","","","","","","1.103","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229903","9.591","0.0003","13.4369","0.0004","15.129","0.0005","90","","94.706","0.001","90","","1943.15","0.11","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","Bis[dicyclohexyl(phenyl)phosphane-κ<i>P</i>]silver(I) perchlorate dichloromethane monosolvate","","- C37 H56 Ag Cl3 O4 P2 -","- C37 H56 Ag Cl3 O4 P2 -","- C74 H112 Ag2 Cl6 O8 P4 -","2","1","ZS2098","Munyaneza, Apollinaire; Meijboom, Reinout; Omondi, Bernard","Bis[dicyclohexyl(phenyl)phosphane-κ<i>P</i>]silver(I) perchlorate dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","4","m483","m484","10.1107/S1600536811009822","","","0.71073","MoKα","","0.0178","0.0174","","","0.0444","0.0446","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229904","13.0273","0.0004","10.2337","0.0002","18.1262","0.0006","90","","126.574","0.002","90","","1940.69","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1-(3-Mesityl-3-methylcyclobutyl)-2-(morpholin-4-yl)ethanone oxime","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","1","ZS2100","Şen, Fatih; Dinçer, Muharrem; Çukurovalı, Alaaddin; Yılmaz, Ibrahim","(<i>Z</i>)-1-(3-Mesityl-3-methylcyclobutyl)-2-(morpholin-4-yl)ethanone oxime","Acta Crystallographica Section E","2011","67","4","o958","o959","10.1107/S1600536811009408","","","0.71073","MoKα","","0.0661","0.0517","","","0.1609","0.171","","","","","","1.094","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229905","6.094","0.0002","18.157","0.0006","10.074","0.0003","90","","90.696","0.001","90","","1114.59","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[2-(1<i>H</i>-1,3-benzodiazol-2-yl)ethyl]-1,3-oxazolidin-2-one","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","BH2341","Brancatelli, Giovanna; Nicoló, Francesco; De Grazia, Sara; Monforte, Anna Maria; Chimirri, Alba","3-[2-(1<i>H</i>-1,3-Benzodiazol-2-yl)ethyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2011","67","5","o1083","","10.1107/S1600536811012256","","","0.71073","MoKα","","0.0343","0.0325","","","","0.089","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229906","26.1607","0.0002","4.0565","0.0002","12.1435","0.0003","90","","91.572","0.0001","90","","1288.19","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(1,3-Benzothiazol-2-yl)iminomethyl]-4-bromophenol","","- C14 H9 Br N2 O S -","- C14 H9 Br N2 O S -","- C56 H36 Br4 N8 O4 S4 -","4","1","BH2345","Diao, Hai-Peng; Sun, Ti-Jian; Liu, Wen","2-[(1,3-Benzothiazol-2-yl)iminomethyl]-4-bromophenol","Acta Crystallographica Section E","2011","67","5","o1096","","10.1107/S160053681101275X","","","0.71073","MoKα","","0.0828","0.0445","","","0.0995","0.1184","","","","","","0.926","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229907","16.8864","0.0017","6.6653","0.0007","18.238","0.002","90","","90","","90","","2052.7","0.4","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-Hydroxy-6-isopropyl-3-methylbenzoic acid","2-Hydroxy-6-isopropyl-3-methylbenzoic acid","","- C11 H14 O3 -","- C11 H14 O3 -","- C88 H112 O24 -","8","1","BH2346","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","2-Hydroxy-6-isopropyl-3-methylbenzoic acid","Acta Crystallographica Section E","2011","67","5","o1063","","10.1107/S1600536811011998","","","0.71073","MoKα","","0.1226","0.0535","","","0.126","0.1542","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229908","8.4395","0.0001","11.3701","0.0002","15.3559","0.0002","90","","90","","90","","1473.52","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Ethyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C17 H15 F O3 S -","- C17 H15 F O3 S -","- C68 H60 F4 O12 S4 -","4","1","BH2350","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Ethyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","5","o1278","","10.1107/S1600536811015443","","","0.71073","MoKα","","0.0341","0.0316","","","0.0754","0.0769","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229909","29.858","0.006","14.542","0.003","7.671","0.0015","90","","95.19","0.03","90","","3317.1","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-yl 2-methoxybenzoate hemihydrate","","- C17 H15 N2 O4.5 S -","- C17 H15 N2 O4.5 S -","- C136 H120 N16 O36 S8 -","8","1","BQ2283","Yao, Jin-hua; Guo, Bing; An, Kang; Guan, Jian-ning","5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-yl 2-methoxybenzoate hemihydrate","Acta Crystallographica Section E","2011","67","5","o1046","","10.1107/S1600536811010373","","","0.71073","MoKα","","0.1061","0.0633","","","0.1536","0.1755","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229910","24.725","0.005","10.969","0.002","7.4196","0.0015","90","","90.23","0.03","90","","2012.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)nickel(II)]-μ- 2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ^2^<i>N</i>^2^:<i>N</i>^4^]","","- C20 H18 N6 Ni O6 -","- C20 H18 N6 Ni O6 -","- C80 H72 N24 Ni4 O24 -","4","0.5","BQ2289","Feng, Miao; Tian, Hui-Juan; Mi, Huai-Feng; Hu, Tong-Liang","<i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)nickel(II)]-μ-2,4,6-tris(4-pyridyl)-1,3,5-triazine-κ^2^<i>N</i>^2^:<i>N</i>^4^]","Acta Crystallographica Section E","2011","67","5","m563","","10.1107/S1600536811012281","","","0.71073","MoKα","","0.0461","0.0337","","","0.0734","0.0775","","","","","","1.051","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229911","8.0503","0.0006","12.8174","0.0009","13.1833","0.001","90","","97.271","0.005","90","","1349.37","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[(4-nitrophenyl)iminiomethyl]naphthalen-2-olate","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","BQ2290","Damous, Maamar; Hamlaoui, Meriem; Bouacida, Sofiane; Merazig, Hocine; Daran, Jean-Claude","Zwitterionic (<i>E</i>)-1-[(4-nitrophenyl)iminiomethyl]naphthalen-2-olate","Acta Crystallographica Section E","2011","67","5","o1123","o1124","10.1107/S1600536811012359","","","0.71073","MoKα","","0.1546","0.0587","","","0.1453","0.1897","","","","","","0.964","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229912","7.1378","0.0004","12.7853","0.0007","16.8033","0.0011","90","","92.025","0.006","90","","1532.49","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato- κ<i>O</i>)copper(II)","","- C10 H12 Cl2 Cu N2 O10 -","- C10 H12 Cl2 Cu N2 O10 -","- C40 H48 Cl8 Cu4 N8 O40 -","4","1","BQ2292","Damous, Maamar; Hamlaoui, Meriem; Bouacida, Sofiane; Merazig, Hocine; Daran, Jean-Claude","Diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","5","m611","m612","10.1107/S1600536811013808","","","0.7107","MoKα","","0.041","0.03","","","0.0765","0.08","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229913","7.7589","0.0008","14.143","0.002","14.358","0.002","90.99","0.01","99.56","0.01","90.68","0.01","1553.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2,4-Dichloroanilinium 4-chlorobenzenesulfonate monohydrate","","- C12 H12 Cl3 N O4 S -","- C12 H12 Cl3 N O4 S -","- C48 H48 Cl12 N4 O16 S4 -","4","2","BQ2293","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","2,4-Dichloroanilinium 4-chlorobenzenesulfonate monohydrate","Acta Crystallographica Section E","2011","67","5","o1077","","10.1107/S1600536811012463","","","0.71073","MoKα","","0.1673","0.0513","","","0.0637","0.0812","","","","","","0.841","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229914","7.318","0.0003","10.1567","0.0005","12.4721","0.0006","96.686","0.001","95.285","0.001","95.229","0.001","911.92","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>- 1,3,4-thiadiazin-5-yl}-3-phenylsydnone","4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>- 1,3,4-thiadiazin-5-yl}-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate","","- C18 H13 Cl N6 O2 S -","- C18 H13 Cl N6 O2 S -","- C36 H26 Cl2 N12 O4 S2 -","2","1","BQ2294","Fun, Hoong-Kun; Loh, Wan-Sin; Nithinchandra; Kalluraya, Balakrishna","4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin-5-yl}-3-phenylsydnone","Acta Crystallographica Section E","2011","67","5","o1177","o1178","10.1107/S1600536811013912","","","0.71073","MoKα","","0.047","0.039","","","0.1038","0.1126","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229915","19.435","0.0009","5.8467","0.0002","13.3343","0.0006","90","","109.981","0.002","90","","1423.98","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(5-amino-3-carboxy-1<i>H</i>-1,2,4-triazol-4-ium) sulfate dihydrate","","- C6 H14 N8 O10 S -","- C6 H14 N8 O10 S -","- C24 H56 N32 O40 S4 -","4","0.5","BQ2295","Ouakkaf, Amira; Berrah, Fadila; Bouacida, Sofiane; Roisnel, Thierry","Bis(5-amino-3-carboxy-1<i>H</i>-1,2,4-triazol-4-ium) sulfate dihydrate","Acta Crystallographica Section E","2011","67","5","o1171","o1172","10.1107/S1600536811013882","","","0.71073","MoKα","","0.0319","0.0285","","","0.0748","0.077","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229916","9.358","0.0019","17.815","0.004","6.387","0.0013","90","","90","","90","","1064.8","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3'-dinitro-4,4'-bipyridine","","- C10 H6 N4 O4 -","- C10 H6 N4 O4 -","- C40 H24 N16 O16 -","4","1","BQ2296","Wang, Yong; Xu, Jing-Yi; Li, De-Yong; Shi, Lu","3,3'-Dinitro-4,4'-bipyridine","Acta Crystallographica Section E","2011","67","5","o1191","","10.1107/S1600536811014139","","","0.71073","MoKα","","0.0878","0.055","","","0.1245","0.1412","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229917","4.935","0.001","11.63","0.002","13.115","0.002","113.52","0.02","90.49","0.01","96.5","0.01","684.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-<i>N</i>-(3,5-dichlorophenyl)benzenesulfonamide","","- C12 H8 Cl3 N O2 S -","- C12 H8 Cl3 N O2 S -","- C24 H16 Cl6 N2 O4 S2 -","2","1","BQ2298","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(3,5-dichlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","5","o1219","","10.1107/S160053681101470X","","","0.71073","MoKα","","0.0472","0.0342","","","0.0791","0.0855","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229918","13.5504","0.0012","10.2965","0.0009","8.9072","0.0008","90","","108.527","0.001","90","","1178.34","0.18","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Hemipotassium hemirubidium digallium(III) manganese(II) tris(phosphate) dihydrate","","- Ga2 H4 K0.5 Mn O14 P3 Rb0.5 -","- Ga2 H4 K0.5 Mn O14 P3 Rb0.5 -","- Ga8 H16 K2 Mn4 O56 P12 Rb2 -","4","0.5","BR2164","Zhang, Jing; Li, Ping; Liu, Zhi-Hong; Ng, Seik Weng","Hemipotassium hemirubidium digallium(III) manganese(II) tris(phosphate) dihydrate","Acta Crystallographica Section E","2011","67","5","i30","","10.1107/S160053681101258X","","","0.71073","MoKα","","0.0262","0.0233","","","0.064","0.0652","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229919","10.7864","0.0003","11.1264","0.0003","21.9775","0.0005","90","","90","","90","","2637.6","0.12","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2-Chloro-3,5-dinitrophenyl)(piperidin-1-yl)methanone","","- C12 H12 Cl N3 O5 -","- C12 H12 Cl N3 O5 -","- C96 H96 Cl8 N24 O40 -","8","1","BT5492","Luo, Xun; Huang, Yun-Chuang; Gao, Chao; Yu, Luo-Ting","(2-Chloro-3,5-dinitrophenyl)(piperidin-1-yl)methanone","Acta Crystallographica Section E","2011","67","5","o1066","","10.1107/S1600536811011469","","","0.7107","MoKα","","0.0437","0.0331","","","0.0711","0.0765","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229920","5.6424","0.0002","15.5592","0.0007","16.9097","0.0008","90","","90","","90","","1484.52","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl- 3,4-dihydro-2<i>H</i>-pyrrole 1-oxide","","- C14 H17 N O5 S -","- C14 H17 N O5 S -","- C56 H68 N4 O20 S4 -","4","1","BT5495","Flores, Mari Fe; Garcia, P.; M. Garrido, Narciso; Sanz, Francisca; Diez, David","(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide","Acta Crystallographica Section E","2011","67","5","o1115","","10.1107/S1600536811010737","","","1.54178","CuKα","","0.0428","0.0344","","","0.0787","0.0835","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229921","23.702","0.005","12.344","0.003","18.758","0.004","90","","106.742","0.004","90","","5256","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,6-bis({[2-(diphenylmethylidene)hydrazin-1-ylidene]methyl})pyridine","","- C33 H25 N5 -","- C33 H25 N5 -","- C264 H200 N40 -","8","1","BT5500","Dumitru, Florina; Şerb, Mihaela-Diana; Englert, Ulli","Pyridine-2,6-dicarboxaldehyde bis[(diphenylmethylidene)hydrazone]","Acta Crystallographica Section E","2011","67","5","o1030","","10.1107/S1600536811011238","","","0.71073","MoKα","","0.0788","0.0479","","","0.1024","0.1168","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229922","7.8169","0.0004","7.0077","0.0003","15.6586","0.0007","90","","98.971","0.004","90","","847.26","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aquabis(μ-formato-κ^2^<i>O</i>:<i>O</i>')(μ- pyrazine-κ^2^<i>N</i>:<i>N</i>')nickel(II)]","","- C6 H8 N2 Ni O5 -","- C6 H8 N2 Ni O5 -","- C24 H32 N8 Ni4 O20 -","4","1","BT5501","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Poly[aquabis(μ-formato-κ^2^<i>O</i>:<i>O</i>')(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>')nickel(II)]","Acta Crystallographica Section E","2011","67","5","m532","","10.1107/S1600536811011913","","","0.71073","MoKα","","0.0291","0.0245","","","0.0567","0.0586","","","","","","1.103","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229923","5.8132","0.0001","13.388","0.0003","21.3298","0.0005","90","","90","","90","","1660.04","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,5α,6β-Trihydroxyandrostan-17-one","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","BT5502","Andrade, L.C.R.; de Almeida, M.J.B.M.; Paixão, J.A.; Carvalho, J.F.S.; Sá e Melo, M.L.","3β,5α,6β-Trihydroxyandrostan-17-one","Acta Crystallographica Section E","2011","67","5","o1056","o1057","10.1107/S1600536811011706","","","0.71073","MoKα","","0.0524","0.0373","","","0.0905","0.0975","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229924","19.4755","0.001","5.621","0.0003","5.347","0.0002","90","","97.222","0.003","90","","580.7","0.05","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Putrescine diperchlorate","Butane-1,4-diammonium bis(perchlorate)","","- C4 H14 Cl2 N2 O8 -","- C4 H14 Cl2 N2 O8 -","- C8 H28 Cl4 N4 O16 -","2","0.25","BT5503","Arderne, Charmaine; Kruger, Gert J.","Butane-1,4-diammonium bis(perchlorate)","Acta Crystallographica Section E","2011","67","5","o1060","","10.1107/S1600536811012025","","","0.71073","MoKα","","0.0625","0.0561","","","0.1498","0.1554","","","","","","1.165","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229925","9.0111","0.0014","9.1376","0.0015","17.564","0.003","96.532","0.003","100.225","0.004","108.053","0.003","1331","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-[Bis(dimethylamino)methylidene]- 2-[(triphenylmethyl)sulfanyl]ethanaminium hexafluorophosphate","","- C26 H32 F6 N3 P S -","- C26 H32 F6 N3 P S -","- C52 H64 F12 N6 P2 S2 -","2","1","BT5504","Neuba, Adam; Flörke, Ulrich; Henkel, Gerald","<i>N</i>-[Bis(dimethylamino)methylidene]-2-[(triphenylmethyl)sulfanyl]ethanaminium hexafluorophosphate","Acta Crystallographica Section E","2011","67","5","o1238","o1239","10.1107/S1600536811014929","","","0.71073","MoKα","","0.0727","0.0474","","","0.0954","0.1039","","","","","","0.956","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229926","18.7011","0.001","5.8199","0.0003","23.4546","0.0014","90","","105.158","0.002","90","","2463.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-Methylphenanthro[2,3-<i>b</i>]thiophene","","- C17 H12 S -","- C17 H12 S -","- C136 H96 S8 -","8","2","BT5506","Ranjith, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K.","5-Methylphenanthro[2,3-<i>b</i>]thiophene","Acta Crystallographica Section E","2011","67","5","o1243","","10.1107/S1600536811014838","","","0.71073","MoKα","","0.0916","0.0552","","","0.1584","0.1952","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229927","11.335","0.002","5.4467","0.0011","26.508","0.005","90","","101.4","0.03","90","","1604.3","0.6","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide","","- C7 H11 N O3 -","- C7 H11 N O3 -","- C56 H88 N8 O24 -","8","2","BT5507","Flores, Mari Fe; Garcia, Pilar; M. Garrido, Narciso; Sanz, Francisca; Diez, David","(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide","Acta Crystallographica Section E","2011","67","5","o1116","o1117","10.1107/S1600536811013055","","","1.54178","CuKα","","0.035","0.0333","","","0.0876","0.0911","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229928","15.1521","0.001","5.6783","0.0004","17.4855","0.0013","90","","94.981","0.006","90","","1498.74","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)zinc","","- C10 H8 N6 Se2 Zn -","- C10 H8 N6 Se2 Zn -","- C40 H32 N24 Se8 Zn4 -","4","0.5","BT5509","Reinert, Thorben; Boeckmann, Jan; Näther, Christian","Bis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)zinc","Acta Crystallographica Section E","2011","67","5","m567","","10.1107/S1600536811012621","","","0.71073","MoKα","","0.0638","0.0458","","","0.0903","0.0972","","","","","","1.131","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229929","9.462","0.002","11.014","0.003","7.74","0.002","90","","115.65","0.02","90","","727.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Poly[di-μ-aqua-diaqua-di-μ~6~-malonato-cobalt(II)dipotassium]","","- C6 H12 Co K2 O12 -","- C6 H12 Co K2 O12 -","- C12 H24 Co2 K4 O24 -","2","0.25","BT5510","Sy, Adama; Barry, Aliou Hamady; Gaye, Mohamed; Sall, Abdou Salam; Driss, Ahmed","Poly[di-μ-aqua-diaqua-di-μ~6~-malonato-cobalt(II)dipotassium(I)]","Acta Crystallographica Section E","2011","67","5","m601","","10.1107/S1600536811012839","","","0.71073","MoKα","","0.0225","0.0216","","","0.0563","0.0567","","","","","","1.147","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229930","8.5823","0.0006","9.4069","0.0006","9.8562","0.0007","81.935","0.005","71.435","0.006","80.508","0.006","740.7","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)mercury(II)","","- C12 H8 Br2 Hg N4 -","- C12 H8 Br2 Hg N4 -","- C24 H16 Br4 Hg2 N8 -","2","1","BT5511","Ghiasi, Reza","Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)mercury(II)","Acta Crystallographica Section E","2011","67","5","m595","","10.1107/S1600536811013274","","","0.71073","MoKα","","0.0332","0.0304","","","","0.0842","","","","","","1.176","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229931","14.653","0.0006","9.4482","0.0004","15.2461","0.0007","90","","97.055","0.003","90","","2094.76","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl acetate","","- C23 H19 N O4 S2 -","- C23 H19 N O4 S2 -","- C92 H76 N4 O16 S8 -","4","1","BT5514","Rammohan, Alagappa; Govindan, E.; SubbiahPandi, A.; Sureshbabu, R.; Mohana Krishnan, A. K.","(3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl acetate","Acta Crystallographica Section E","2011","67","5","o1240","o1241","10.1107/S1600536811014802","","","0.71073","MoKα","","0.0653","0.0385","","","0.0903","0.1036","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229932","8.6454","0.0005","9.044","0.0004","9.7182","0.0006","83.306","0.004","70.956","0.005","81.523","0.004","708.51","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-phenyl-4<i>H</i>,10<i>H</i>-1,3,5- triazino[1,2-<i>a</i>]benzimidazol-3-ium chloride","","- C15 H14 Cl N5 -","- C15 H14 Cl N5 -","- C30 H28 Cl2 N10 -","2","1","BT5515","Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Abdel-Ghany, Hossam; Ng, Seik Weng","2-Amino-4-phenyl-4<i>H</i>,10<i>H</i>-1,3,5-triazino[1,2-<i>a</i>]benzimidazol-3-ium chloride","Acta Crystallographica Section E","2011","67","5","o1154","","10.1107/S1600536811013766","","","1.54184","CuKα","","0.0413","0.0395","","","0.1045","0.1063","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229933","23.154","0.0003","43.8905","0.0006","5.6239","0.0001","90","","90","","90","","5715.24","0.15","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","4-(4-Chlorobenzyl)-5-methyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C17 H15 Cl N2 O -","- C17 H15 Cl N2 O -","- C272 H240 Cl16 N32 O16 -","16","1","BT5516","Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Abdel-Ghany, Hossam; Ng, Seik Weng","4-(4-Chlorobenzyl)-5-methyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","5","o1153","","10.1107/S1600536811013791","","","1.54184","CuKα","","0.0363","0.0362","","","0.0969","0.0972","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229934","18.839","0.0003","10.873","0.0002","19.62","0.0003","90","","114.748","0.001","90","","3649.79","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Bis[1,1-dibenzyl-3-(furan-2-ylcarbonyl)thioureato- κ^2^<i>O</i>,<i>S</i>]copper(II)","","- C40 H34 Cu N4 O4 S2 -","- C40 H34 Cu N4 O4 S2 -","- C160 H136 Cu4 N16 O16 S8 -","4","1","BT5517","Pérez, Hiram; da Silva, Cecilia C. P.; Plutín, Ana M.; de Simone, Carlos A.; Ellena, Javier","<i>cis</i>-Bis[1,1-dibenzyl-3-(furan-2-ylcarbonyl)thioureato-κ^2^<i>O</i>,<i>S</i>]copper(II)","Acta Crystallographica Section E","2011","67","5","m621","","10.1107/S160053681101422X","","","0.71073","MoKα","","0.057","0.0486","","","","0.1221","","","","","","1.074","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229935","7.869","0.002","26.85","0.007","8.314","0.002","90","","106.959","0.005","90","","1680.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[2-(Benzylsulfanyl)phenyl]-1,1,3,3-tetramethylguanidine","","- C18 H23 N3 S -","- C18 H23 N3 S -","- C72 H92 N12 S4 -","4","1","BT5518","Neuba, Adam; Flörke, Ulrich; Henkel, Gerald","2-[2-(Benzylsulfanyl)phenyl]-1,1,3,3-tetramethylguanidine","Acta Crystallographica Section E","2011","67","5","o1202","o1203","10.1107/S1600536811014577","","","0.71073","MoKα","","0.0656","0.0414","","","0.0847","0.0912","","","","","","0.922","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229936","10.1392","0.0004","9.1398","0.0004","34.8462","0.0015","90","","90","","90","","3229.2","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-{2-[(3-Phenylquinoxalin-2-yl)oxy]ethyl}-1,3-oxazolidin-2-one","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C152 H136 N24 O24 -","8","2","BT5521","Daouda, Ballo; Brelot, Lydia; Doumbia, Mouhamadou Lamine; Essassi, El Mokhtar; Ng, Seik Weng","3-{2-[(3-Phenylquinoxalin-2-yl)oxy]ethyl}-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2011","67","5","o1235","","10.1107/S1600536811014632","","","0.71073","MoKα","","0.058","0.0473","","","0.1152","0.1225","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229937","9.178","0.0011","11.0028","0.0013","23.241","0.003","94.857","0.002","96.144","0.003","95.095","0.002","2313.7","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","<i>cis</i>-Bis[<i>N</i>'-(4-bromobenzoyl)-<i>N</i>,<i>N</i>- dimethylthioureato-κ^2^<i>O</i>,<i>S</i>]copper(II)","<i>cis</i>-Bis(<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-4-bromobenzoylthioureato)copper(II)","","- C20 H20 Br2 Cu N4 O2 S2 -","- C20 H20 Br2 Cu N4 O2 S2 -","- C80 H80 Br8 Cu4 N16 O8 S8 -","4","2","BT5534","Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan","<i>cis</i>-Bis[<i>N</i>'-(4-bromobenzoyl)-<i>N</i>,<i>N</i>-dimethylthioureato-κ^2^<i>O</i>,<i>S</i>]copper(II)","Acta Crystallographica Section E","2011","67","5","m648","m649","10.1107/S1600536811015789","","","0.71073","MoKα","","0.0593","0.042","","","0.1081","0.1165","","","","","","0.998","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229938","17.8747","0.0016","15.5118","0.0013","17.2528","0.0019","90","","112.073","0.001","90","","4433","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido(<i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca- 1,7-diene)copper(II) bromide dihydrate","","- C16 H36 Br2 Cu N4 O2 -","- C16 H36 Br2 Cu N4 O2 -","- C128 H288 Br16 Cu8 N32 O16 -","8","2","BV2173","Shi, Fei-Fei; He, Xiu-Li","Bromido(<i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene)copper(II) bromide dihydrate","Acta Crystallographica Section E","2011","67","5","m607","","10.1107/S1600536811012852","","","0.71073","MoKα","","0.1414","0.0484","","","0.0777","0.0991","","","","","","0.872","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229939","12.6567","0.0002","15.7502","0.0003","15.9419","0.0003","90","","103.165","0.001","90","","3094.42","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']chlorido(η^5^- indenyl)ruthenium(II)","","- C37 H35 Cl P2 Ru -","- C37 H35 Cl P2 Ru -","- C148 H140 Cl4 P8 Ru4 -","4","1","BV2178","Sung, Hui-Ling; Her, Tze-Min; Su, Wen-Hsien; Cheng, Chin-Pao","[1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']chlorido(η^5^-indenyl)ruthenium(II)","Acta Crystallographica Section E","2011","67","5","m641","","10.1107/S1600536811015121","","","0.71073","MoKα","","0.0502","0.0351","","","0.0931","0.1024","","","","","","0.911","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229940","9.0845","0.0002","9.2761","0.0002","10.1252","0.0002","71.315","0.001","80.838","0.001","70.485","0.001","760.53","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Fluorophenylsulfinyl)-5-iodo-2,7-dimethyl-1-benzofuran","","- C16 H12 F I O2 S -","- C16 H12 F I O2 S -","- C32 H24 F2 I2 O4 S2 -","2","1","BV2179","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-(4-Fluorophenylsulfinyl)-5-iodo-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","5","o1082","","10.1107/S1600536811012591","","","0.71073","MoKα","","0.0267","0.0251","","","0.0637","0.0646","","","","","","1.148","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229941","15.5535","0.0003","6.61183","0.00016","20.1828","0.0004","90","","94.375","0.0018","90","","2069.49","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[aqua(benzoato-κ^2^<i>O</i>,<i>O</i>')(benzoic acid-κ<i>O</i>)calcium]-μ~3~-benzoato- κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']","","- C21 H18 Ca O7 -","- C21 H18 Ca O7 -","- C84 H72 Ca4 O28 -","4","1","BV2180","Azizov, Olimjon; Kadirova, Zukhra; Azizov, Tohir; Tolipov, Samat; Ibragimov, Bakhtiyar","<i>catena</i>-Poly[[aqua(benzoato-κ^2^<i>O</i>,<i>O</i>')(benzoic acid-κ<i>O</i>)calcium]-μ~3~-benzoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']","Acta Crystallographica Section E","2011","67","5","m597","","10.1107/S1600536811013493","","","1.54184","CuKα","","0.0555","0.0409","","","0.1128","0.1207","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229942","12.496","0.003","8.662","0.002","31.543","0.006","90","","90.97","0.03","90","","3413.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetraaqua{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole- κ<i>N</i>^4^}(sulfato-κ<i>O</i>)copper(II) sesquihydrate","","- C9 H19 Cu N6 O9.5 S -","- C9 H19 Cu N6 O9.5 S -","- C72 H152 Cu8 N48 O76 S8 -","8","1","BV2183","Yang, Huai-xia; Zhang, Jun; Zhao, Dong","A new copper(II) complex based on 1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2011","67","5","m602","","10.1107/S1600536811013511","","","0.71073","MoKα","","0.0496","0.0414","","","0.0834","0.0877","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229943","6.386","0.0002","17.38","0.0005","11.9338","0.0003","90","","90.622","0.003","90","","1324.44","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Dimethyl-5-[(2-nitroanilino)methylidene]-1,3-dioxane-4,6-dione","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","BV2184","He, Yu-xin; Wu, Jin-wei; Tong, Rong-sheng; Shi, Jian-you","2,2-Dimethyl-5-[(2-nitroanilino)methylidene]-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2011","67","5","o1216","","10.1107/S1600536811014358","","","0.7107","MoKα","","0.0489","0.0379","","","0.0902","0.097","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229944","14.204","0.003","11.276","0.002","9.604","0.002","90","","102.329","0.004","90","","1502.7","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5-Bromo-2-methoxyphenyl)(4-ethylcyclohexyl)methanone","","- C16 H21 Br O2 -","- C16 H21 Br O2 -","- C64 H84 Br4 O8 -","4","1","BX2347","Wang, Ling; Chang, Ziqian; Ding, Chunlei; Shao, Hua; Sun, Jianzi","(5-Bromo-2-methoxyphenyl)(4-ethylcyclohexyl)methanone","Acta Crystallographica Section E","2011","67","5","o1173","","10.1107/S1600536811013687","","","0.71073","MoKα","","0.0339","0.0243","","","0.0566","0.0581","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229945","7.254","0.0008","12.6481","0.0013","24.438","0.002","90","","93.991","0.001","90","","2236.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(4-acetylanilinium) hexachloridostannate(IV)","","- C16 H20 Cl6 N2 O2 Sn -","- C16 H20 Cl6 N2 O2 Sn -","- C64 H80 Cl24 N8 O8 Sn4 -","4","1","CI5184","Song, Xian-Wang; Xue, Rui-Ting; Chen, Shou-Gang; Yin, Yan-Sheng","Bis(4-acetylanilinium) hexachloridostannate(IV)","Acta Crystallographica Section E","2011","67","5","m653","","10.1107/S1600536811015546","","","0.71073","MoKα","","0.0646","0.044","","","0.0997","0.1118","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229946","8.5021","0.0002","10.0379","0.0002","14.3623","0.0003","94.434","0.001","97.981","0.001","109.242","0.001","1136.07","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","7-(4-Chlorobenzylidene)-3-[(4-chlorophenoxy)methyl]-6-(4-nitrothiophen-2-yl)- 7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","","- C22 H13 Cl2 N5 O3 S2 -","- C22 H13 Cl2 N5 O3 S2 -","- C44 H26 Cl4 N10 O6 S4 -","2","1","CI5185","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul; Nithinchandra; Kalluraya, Balakrishna","7-(4-Chlorobenzylidene)-3-[(4-chlorophenoxy)methyl]-6-(4-nitrothiophen-2-yl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2011","67","5","o1266","o1267","10.1107/S1600536811015637","","","0.71073","MoKα","","0.0582","0.0444","","","0.1213","0.1333","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229947","9.3438","0.0019","12.771","0.003","12.978","0.003","95.17","0.03","110.13","0.03","106.18","0.03","1366.4","0.7","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","7-Diethylamino-2-oxo-2<i>H</i>-chromene-3-carbohydrazide","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","2","CV5061","Zhang, Li-Jun; Yin, Bing-Zhu","7-Diethylamino-2-oxo-2<i>H</i>-chromene-3-carbohydrazide","Acta Crystallographica Section E","2011","67","5","o1107","","10.1107/S1600536811010944","","","0.71073","MoKα","","0.088","0.0447","","","0.1037","0.1169","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229948","11.5704","0.0014","12.2585","0.0015","15.3757","0.0019","90","","90","","90","","2180.8","0.5","296","1","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-[(1<i>S</i>,2<i>S</i>)-Cyclohexane-1,2-diyl]bis(4- methylbenzenesulfonamide)","","- C20 H26 N2 O4 S2 -","- C20 H26 N2 O4 S2 -","- C80 H104 N8 O16 S8 -","4","1","CV5062","Hong, Yi-Ling; Tan, Hua-Jie; Shen, Liang","<i>N</i>,<i>N</i>'-[(1<i>S</i>,2<i>S</i>)-Cyclohexane-1,2-diyl]bis(4-methylbenzenesulfonamide)","Acta Crystallographica Section E","2011","67","5","o1121","","10.1107/S1600536811012372","","","0.71073","MoKα","","0.041","0.0353","","","0.089","0.0938","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229949","44.704","0.004","6.3576","0.0006","8.2074","0.0009","90","","90","","90","","2332.6","0.4","298","2","298","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","1,1'-[(1<i>E</i>,11<i>E</i>)-5,8-Dioxa-2,11-diazoniadodeca-1,11-diene-\ 1,12-diyl]dinaphthalen-2-olate","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","0.5","CV5066","Liu, Yanju; Liu, Kai; Cao, Zhiqiang; Niu, Meiju","1,1'-[(1<i>E</i>,11<i>E</i>)-5,8-Dioxa-2,11-diazoniadodeca-1,11-diene-1,12-diyl]dinaphthalen-2-olate","Acta Crystallographica Section E","2011","67","5","o1074","","10.1107/S1600536811012219","","","0.71073","MoKα","","0.1206","0.0677","","","0.1864","0.2235","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229950","10.542","0.0015","10.6153","0.0015","12.807","0.0018","78.024","0.002","75.184","0.002","88.451","0.002","1354.9","0.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","4-(5-Hydroxymethyl-2-methoxyphenoxy)benzoic acid","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","2","CV5067","Niu, Yanyan; Wu, Bo","4-(5-Hydroxymethyl-2-methoxyphenoxy)benzoic acid","Acta Crystallographica Section E","2011","67","5","o1069","","10.1107/S1600536811012190","","","0.71073","MoKα","","0.0554","0.045","","","0.1301","0.1408","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229951","8.2048","0.0016","12.016","0.002","12.052","0.002","79.09","0.03","81.45","0.03","88.43","0.03","1153.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(ethylenediamine)cobalt(III) diformatodioxalatoindate(III) dihydrate","","- C12 H30 Co In N6 O14 -","- C12 H30 Co In N6 O14 -","- C24 H60 Co2 In2 N12 O28 -","2","1","CV5068","Tong, Juying; Pan, Qinhe","Tris(ethylenediamine)cobalt(III) diformatodioxalatoindate(III) dihydrate","Acta Crystallographica Section E","2011","67","5","m579","m580","10.1107/S1600536811013109","","","0.71073","MoKα","","0.0834","0.0598","","","0.1504","0.1682","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229952","5.8732","0.0012","9.4164","0.0019","16.75","0.003","90","","91.82","0.03","90","","925.9","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-6-trichloromethyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C5 H3 Cl3 N4 S -","- C5 H3 Cl3 N4 S -","- C20 H12 Cl12 N16 S4 -","4","1","CV5070","Jia, Wei-min; Wang, Zhi-jian; Jia, Xiao-yu; Zhang, Jing-jing; Wang, Wei","3-Methyl-6-trichloromethyl-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2011","67","5","o1093","","10.1107/S1600536811012748","","","0.71073","MoKα","","0.0349","0.0294","","","0.0827","0.1134","","","","","","1.238","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229953","8.305","0.003","11.064","0.004","22.557","0.009","90","","90","","90","","2072.7","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-<i>tert</i>-Butyl <i>O</i>-2-isopropyl-5-methylcyclohexyl phenylphosphonamidate","","- C20 H34 N O2 P -","- C20 H34 N O2 P -","- C80 H136 N4 O8 P4 -","4","1","CV5071","Liu, Li-Juan; Meng, Fan-Jie; Xu, Hao; Wang, Daqi; Zhao, Chang-Qiu","<i>N</i>-<i>tert</i>-Butyl <i>O</i>-2-isopropyl-5-methylcyclohexyl phenylphosphonamidate","Acta Crystallographica Section E","2011","67","5","o1244","","10.1107/S1600536811012864","","","0.71073","MoKα","","0.1203","0.0533","","","0.1043","0.1297","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229954","10.617","0.003","4.877","0.002","13.632","0.003","90","","92.409","0.002","90","","705.2","0.4","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C32 H32 N4 O6 -","2","1","CV5072","Bi, Ye","4-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","5","o1182","","10.1107/S1600536811014012","","","0.71073","MoKα","","0.0826","0.0592","","","0.1317","0.1378","","","","","","1.301","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229955","6.498","0.0001","11.874","0.0001","20.5897","0.0002","90","","90","","90","","1588.64","0.03","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium formate","","- C5 H13 N O5 -","- C5 H13 N O5 -","- C40 H104 N8 O40 -","8","1","CV5073","Ren, Guo-Bin; Qi, Ming-Hui; Chen, Jin-Yao; Meng, Kun-Yan; Zhong, Jia-Liang","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium formate","Acta Crystallographica Section E","2011","67","5","o1264","","10.1107/S1600536811015534","","","1.54178","CuKα","","0.0355","0.0343","","","0.0933","0.0949","","","","","","1.093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229956","4.7089","0.0003","17.9073","0.0013","10.7965","0.0008","90","","98.047","0.002","90","","901.44","0.11","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat methanol monosolvate","[2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid methanol monosolvate","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C34 H40 N4 O8 S2 -","2","1","CV5075","Jiang, Qi-Ying; Qian, Jing-Jing; Gu, Jian-Ming; Tang, Gu-Ping; Hu, Xiu-Rong","Febuxostat methanol solvate","Acta Crystallographica Section E","2011","67","5","o1232","","10.1107/S1600536811014905","","","0.71073","MoKα","","0.065","0.0427","","","0.0711","0.0782","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229957","14.1907","0.0003","9.0224","0.0002","10.9412","0.0002","90","","111.789","0.001","90","","1300.77","0.05","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Ethylenediammonium bis(hydrogen squarate) monohydrate","","- C10 H14 N2 O9 -","- C10 H14 N2 O9 -","- C40 H56 N8 O36 -","4","1","DN2662","Zenkhri, Louiza; Bataille, Thierry; Audebrand, Nathalie","A second monoclinic polymorph of ethylenediammonium bis(hydrogen squarate) monohydrate","Acta Crystallographica Section E","2011","67","5","o1118","","10.1107/S1600536811009019","","","0.71073","MoKα","","0.0702","0.044","","","0.1025","0.1162","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229958","10.6274","0.0008","10.9496","0.0007","13.1397","0.0009","102.72","0.001","101.416","0.001","110.456","0.001","1332.73","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Trichlorido(tetrahydrofuran){(1,2,3,3a,7a-η)-1-[2-(1-trimethylsilyl- 1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1-methylpropyl]indenyl}zirconium(IV)","","- C23 H33 Cl3 N2 O Si Zr -","- C23 H33 Cl3 N2 O Si Zr -","- C46 H66 Cl6 N4 O2 Si2 Zr2 -","2","1","DN2668","Guan, Shengzhou; Nie, Wanli; Borzov, Maxim V.","Trichlorido(tetrahydrofuran){(1,2,3,3a,7a-η)-1-[2-(1-trimethylsilyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1-methylpropyl]indenyl}zirconium(IV)","Acta Crystallographica Section E","2011","67","5","m540","m541","10.1107/S1600536811012037","","","0.71073","MoKα","","0.0564","0.0366","","","0.0872","0.0925","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229959","6.3957","0.0002","11.2576","0.0003","12.0384","0.0003","104.726","0.002","101.426","0.001","106.38","0.001","769.53","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-cyclohexylsulfinyl-2,7-dimethyl-1-benzofuran","","- C16 H19 Br O2 S -","- C16 H19 Br O2 S -","- C32 H38 Br2 O4 S2 -","2","1","DN2669","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Bromo-3-cyclohexylsulfinyl-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","5","o1039","","10.1107/S1600536811011354","","","0.71073","MoKα","","0.0425","0.0298","","","0.0716","0.0765","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229960","11.056","0.002","4.111","0.0015","30.825","0.005","90","","96.76","0.02","90","","1391.3","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-(3-Bromo-4-methoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C16 H12 Br F O2 -","- C16 H12 Br F O2 -","- C64 H48 Br4 F4 O8 -","4","1","DN2670","Dutkiewicz, Grzegorz; Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.; Kubicki, Maciej","(2<i>E</i>)-3-(3-Bromo-4-methoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","5","o1090","","10.1107/S1600536811012505","","","0.71073","MoKα","","0.0779","0.0441","","","0.0855","0.0924","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229961","15.378","0.008","10.616","0.005","17.816","0.009","90","","90.702","0.009","90","","2908","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4'-hydroxybiphenyl-4-carboxylato-κ<i>O</i>^1^)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C152 H104 N8 O24 Zn4 -","4","0.5","DN2671","Wu, Wei-Ping; Wang, Jun; Lu, Lu; He, Xi-Yang; Zou, Li-Ke","Bis(4'-hydroxybiphenyl-4-carboxylato-κ<i>O</i>^1^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc","Acta Crystallographica Section E","2011","67","5","m568","","10.1107/S1600536811012244","","","0.71073","MoKα","","0.0361","0.0296","","","0.0879","0.0924","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229962","6.9972","0.0004","8.8164","0.0005","17.1495","0.001","96.218","0.003","99.137","0.003","98.329","0.003","1024.13","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Diaqua(1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)copper(II) didodecanoate dihydrate","","- C34 H78 Cu N4 O8 -","- C34 H78 Cu N4 O8 -","- C34 H78 Cu N4 O8 -","1","0.5","DN2672","Ahmad Tajidi, Nur Syamimi; Abdullah, Norbani; Arifin, Zainudin","Diaqua(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)copper(II) didodecanoate dihydrate","Acta Crystallographica Section E","2011","67","5","m588","m589","10.1107/S1600536811012773","","","0.71073","MoKα","","0.0516","0.0466","","","0.1241","0.1287","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229963","19.6589","0.0014","11.5155","0.0008","12.4185","0.0018","90","","125.74","0.001","90","","2281.9","0.4","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2,2-Tris(pyrazol-1-yl)ethanol","","- C11 H12 N6 O -","- C11 H12 N6 O -","- C88 H96 N48 O8 -","8","1","DN2673","McLauchlan, Craig C.; Smith, Brigette L.; Pippins, Reyhana S.; Nelson, Brandon M.","2,2,2-Tris(pyrazol-1-yl)ethanol","Acta Crystallographica Section E","2011","67","5","o1133","o1134","10.1107/S1600536811012931","","","0.71073","MoKα","","0.0353","0.0335","","","0.0855","0.087","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229964","9.6465","0.0009","10.3796","0.001","16.3341","0.0016","102.931","0.002","102.082","0.002","93.184","0.002","1549.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-(<i>OC</i>-6-33)-Bis[2-(<i>N</i>-benzyliminomethyl-κ<i>N</i>)- 1<i>H</i>-imidazol-1-ido-κ<i>N</i>^1^]bis(ethylamido)titanium(IV)","","- C30 H40 N8 Ti -","- C30 H40 N8 Ti -","- C60 H80 N16 Ti2 -","2","1","DN2674","Li, Zhao; Nie, Wanli; Borzov, Maxim V.","<i>rac</i>-(<i>OC</i>-6-33)-bis[2-(<i>N</i>-Benzylmethyliminomethyl-κ<i>N</i>)-1<i>H</i>-imidazol-1-ido-κ<i>N</i>^1^]bis(ethylamido)titanium(IV)","Acta Crystallographica Section E","2011","67","5","m590","m591","10.1107/S1600536811013183","","","0.71073","MoKα","","0.091","0.0443","","","0.0897","0.0997","","","","","","0.939","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229965","19.725","0.006","11.054","0.003","20.7","0.005","90","","91.252","0.009","90","","4512","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(±)-1,2-Bis(<i>N</i>'-benzoylthioureido)cyclohexane","(±)-1-Benzoyl-3-[2-(<i>N</i>'-benzoylthioureido)cyclohexyl]thiourea","","- C22 H24 N4 O2 S2 -","- C22 H24 N4 O2 S2 -","- C176 H192 N32 O16 S16 -","8","1","DN2675","Jumal, Juliana; Ibrahim, Abdul Razak; Yamin, Bohari M.","(±)-1,2-Bis(<i>N</i>'-benzoylthioureido)cyclohexane","Acta Crystallographica Section E","2011","67","5","o1256","","10.1107/S1600536811014991","","","0.71073","MoKα","","0.0834","0.0624","","","0.1363","0.1454","","","","","","1.107","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229966","10.3992","0.0005","7.6402","0.0004","35.4173","0.0016","90","","90","","90","","2814","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dicarbonyl(η^5^-cyclopentadienyl)[2-(phenylsulfanyl)ethyl]iron(II)","","- C15 H14 Fe O2 S -","- C15 H14 Fe O2 S -","- C120 H112 Fe8 O16 S8 -","8","1","DN2676","Mkhize, Dennis S.; Nyamori, Vincent O.; Bala, Muhammad D.","Dicarbonyl(η^5^-cyclopentadienyl)[2-(phenylsulfanyl)ethyl]iron(II)","Acta Crystallographica Section E","2011","67","5","m644","","10.1107/S160053681101511X","","","0.71073","MoKα","","0.0862","0.0747","","","0.1493","0.1531","","","","","","1.262","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229967","12.2833","0.0016","12.2833","0.0016","14.002","0.004","90","","90","","90","","2112.6","0.7","273","2","273","2","","","","","","","","6","P 43","P 4cw","78","","2-Bromo-<i>N</i>-(dibenzylcarbamothioyl)benzamide","","- C22 H19 Br N2 O S -","- C22 H19 Br N2 O S -","- C88 H76 Br4 N8 O4 S4 -","4","1","DN2677","Nasir, Mohd Faizal Md; Hassan, Ibrahim N.; Wan Daud, Wan Ramli; Yamin, Bohari M.; Kassim, Mohammad B.","2-Bromo-<i>N</i>-(dibenzylcarbamothioyl)benzamide","Acta Crystallographica Section E","2011","67","5","o1218","","10.1107/S1600536811014711","","","0.71073","MoKα","","0.128","0.0498","","","0.0992","0.1184","","","","","","0.933","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229968","8.1389","0.0003","12.8748","0.0004","21.5528","0.0008","90","","90","","90","","2258.45","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Dibenzyl-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","","- C29 H20 N2 O3 -","- C29 H20 N2 O3 -","- C116 H80 N8 O12 -","4","1","DN2679","Afrakssou, Zahra; Kandri Rodi, Youssef; Capet, Frédéric; Essassi, El Mokhtar; El Ammari, Lahcen","1,3-Dibenzyl-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","Acta Crystallographica Section E","2011","67","5","o1253","o1254","10.1107/S1600536811015078","","","0.71073","MoKα","","0.0541","0.0394","","","0.0981","0.1084","","","","","","1.051","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229969","18.8185","0.0006","5.7911","0.0002","19.3911","0.0007","90","","103.338","0.001","90","","2056.24","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","<i>N</i>-Benzylaniline","<i>N</i>-Benzylaniline","","- C13 H13 N -","- C13 H13 N -","- C104 H104 N8 -","8","2","DS2106","Betz, Richard; McCleland, Cedric; Marchand, Harold","<i>N</i>-Benzylaniline","Acta Crystallographica Section E","2011","67","5","o1195","","10.1107/S1600536811014553","","","0.71073","MoKα","","0.054","0.044","","","0.1096","0.1182","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229970","8.305","0.0008","13.339","0.001","9.9948","0.0009","90","","97.876","0.009","90","","1096.78","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Methylphenylsulfonyl)propanamide","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C40 H52 N4 O12 S4 -","4","1","DS2108","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Methylphenylsulfonyl)propanamide","Acta Crystallographica Section E","2011","67","5","o1187","","10.1107/S1600536811014164","","","0.71073","MoKα","","0.071","0.0435","","","0.0949","0.1076","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229971","10.016","0.0002","11.3524","0.0002","14.248","0.0002","88.74","0.001","74.021","0.001","67.295","0.001","1430.28","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquatetrakis{μ~2~-[1- (carboxylatomethyl)cyclohexyl]methanaminium}bis(μ~3~- hydroxido)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')tetrazinc(II)","","- C36 H78 N10 O32 Zn4 -","- C36 H78 N10 O32 Zn4 -","- C36 H78 N10 O32 Zn4 -","1","0.5","EZ2233","de Vries, Elise J. C.; Gamble, Caryn; Shaikjee, Ahmed","Tetraaquatetrakis{μ~2~-[1-(carboxylatomethyl)cyclohexyl]methanaminium}bis(μ~3~-hydroxido)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')tetrazinc(II)","Acta Crystallographica Section E","2011","67","5","m573","m574","10.1107/S1600536811011020","","","0.71073","MoKα","","0.0539","0.047","","","0.1223","0.1278","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229972","6.9718","0.0004","11.8902","0.0006","24.7024","0.0013","90","","90","","90","","2047.73","0.19","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[[[2-(2-pyridyl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]copper(II)]-μ-L-methioninato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>'] perchlorate]","","- C17 H19 Cl Cu N4 O6 S -","- C17 H19 Cl Cu N4 O6 S -","- C68 H76 Cl4 Cu4 N16 O24 S4 -","4","1","FF2004","Lu, Yan-Mei; Le, Xue-Yi","<i>catena</i>-Poly[[[[2-(2-pyridyl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]copper(II)]-μ-<small>L</small>-methioninato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>'] perchlorate]","Acta Crystallographica Section E","2011","67","5","m642","m643","10.1107/S1600536811014000","","","0.71073","MoKα","","0.0599","0.0418","","","0.1026","0.1109","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229973","20.5253","0.0007","13.5716","0.0004","20.3129","0.0007","90","","119.205","0.001","90","","4939.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-Methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)bis(triphenylphosphane-κ<i>P</i>)copper(I)‒triphenylphosphane‒methanol (1/1/1)","","- C61 H54 Cu O4 P3 -","- C61 H54 Cu O4 P3 -","- C244 H216 Cu4 O16 P12 -","4","1","FI2105","Muller, Fabian M. A.; Muller, Theunis J.; Steyl, Gideon","(2-Methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)bis(triphenylphosphane-κ<i>P</i>)copper(I)‒triphenylphosphane‒methanol (1/1/1)","Acta Crystallographica Section E","2011","67","5","m581","m582","10.1107/S1600536811011470","","","0.71073","MoKα","","0.0695","0.0486","","","","0.1268","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2229974","32.741","0.004","10.9198","0.0014","8.1228","0.001","90","","95.92","0.02","90","","2888.6","0.6","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Benzyl-6-benzyloxypyridazin-3(2<i>H</i>)-one","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","FJ2404","Ju, Zhi-Yu; Jiang, Wan-Xiang; Yang, Feng-Ling","2-Benzyl-6-benzyloxypyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","5","o1042","","10.1107/S1600536811011597","","","0.71073","MoKα","","0.0697","0.0468","","","0.1011","0.1161","","","","","","0.951","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229975","12.599","0.004","15.28","0.004","11.233","0.003","90","","91.936","0.004","90","","2161.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dichloridocopper(II)]-μ-4,4'- bis(benzimidazol-1-yl)biphenyl]","","- C26 H18 Cl2 Cu N4 -","- C26 H18 Cl2 Cu N4 -","- C104 H72 Cl8 Cu4 N16 -","4","0.5","FJ2406","Xiao, Dan-Ni; Pan, Hong-Yan; Yao, Min; Xie, Gang","<i>catena</i>-Poly[[dichloridocopper(II)]-μ-4,4'-bis(benzimidazol-1-yl)biphenyl]","Acta Crystallographica Section E","2011","67","5","m521","","10.1107/S1600536811011421","","","0.71073","MoKα","","0.0292","0.0264","","","0.0647","0.0663","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229976","7.8248","0.0006","8.8187","0.0007","8.2932","0.0006","90","","95.5708","0.0018","90","","569.57","0.08","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(acetonitrile)lithium(I)]-μ~3~-tetrafluoridoborato]","","- C2 H3 B F4 Li N -","- C2 H3 B F4 Li N -","- C8 H12 B4 F16 Li4 N4 -","4","1","FJ2410","Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A.","Poly[[(acetonitrile)lithium(I)]-μ~3~-tetrafluoridoborato]","Acta Crystallographica Section E","2011","67","5","m547","","10.1107/S1600536811012141","","","0.71073","MoKα","","0.0641","0.045","","","0.1079","0.1177","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229977","4.82","0.002","11.445","0.003","14.242","0.004","90","","98.1","0.03","90","","777.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Bis(2-chlorophenyl)succinamide","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","FL2341","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(2-chlorophenyl)succinamide","Acta Crystallographica Section E","2011","67","5","o1139","","10.1107/S1600536811013407","","","0.71073","MoKα","","0.1449","0.0752","","","0.1186","0.1388","","","","","","1.163","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229978","9.947","0.0009","13.9419","0.0013","16.1187","0.0011","72.681","0.007","89.487","0.007","73.173","0.008","2035.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-(5-Hydroxy-2,2-dimethyl-2<i>H</i>-chromen-6-yl)-3-(3,4,5- trimethoxyphenyl)prop-2-en-1-one","","- C23 H24 O6 -","- C23 H24 O6 -","- C92 H96 O24 -","4","2","FL2342","Wang, Guang-cheng; Yang, Ying-hong","(<i>E</i>)-1-(5-Hydroxy-2,2-dimethyl-2<i>H</i>-chromen-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","5","o1265","","10.1107/S1600536811015236","","","0.7107","MoKα","","0.1013","0.0568","","","0.1243","0.1479","","","","","","1.014","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229979","9.2794","0.0006","10.3384","0.0008","12.8244","0.0008","90","","100.744","0.006","90","","1208.73","0.15","294.6","","294.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyridine-4-carbaldehyde 4-phenylsemicarbazone","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C52 H48 N16 O4 -","4","1","FY2007","Mendoza-Meroño, Rafael; Menéndez-Taboada, Laura; Fernández-Zapico, Eva; García-Granda, Santiago","Pyridine-4-carbaldehyde 4-phenylsemicarbazone","Acta Crystallographica Section E","2011","67","5","o1135","","10.1107/S1600536811013134","","","1.5418","CuKα","","0.0705","0.0519","","","0.1259","0.1432","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229980","4.1459","0.0002","9.6731","0.0005","18.8178","0.0009","90","","90","","90","","754.66","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","α-Bromo-acetophenone","2-Bromo-1-phenylethanone","","- C8 H7 Br O -","- C8 H7 Br O -","- C32 H28 Br4 O4 -","4","1","FY2008","Betz, Richard; McCleland, Cedric; Marchand, Harold","2-Bromo-1-phenylethanone","Acta Crystallographica Section E","2011","67","5","o1207","","10.1107/S1600536811014644","","","0.71073","MoKα","","0.0332","0.0289","","","0.0703","0.0721","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229981","12.514","0.003","7.6539","0.0015","19.467","0.004","90","","93.276","0.003","90","","1861.5","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4- hydroxybenzohydrazidato}pyridinecopper(II)","","- C20 H16 Br Cu N3 O3 -","- C20 H16 Br Cu N3 O3 -","- C80 H64 Br4 Cu4 N12 O12 -","4","1","GK2354","Zhang, Jian-Min; Wang, Liang; Liu, Juan; Li, Yong-Chao; Li, Hong-Ji","{<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzohydrazidato}pyridinecopper(II)","Acta Crystallographica Section E","2011","67","5","m537","","10.1107/S1600536811011974","","","0.71073","MoKα","","0.0505","0.0395","","","0.0976","0.1034","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229982","7.6878","0.0005","11.8358","0.0007","18.5485","0.0009","85.305","0.004","84.778","0.005","80.692","0.005","1654.74","0.17","296","","296","2","","","","","","","","7","P -1","-P 1","2","","Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocuprate(II) dihydrate","","- C28 H30 Br4 Cu N4 O2 S2 -","- C28 H30 Br4 Cu N4 O2 S2 -","- C56 H60 Br8 Cu2 N8 O4 S4 -","2","1","GK2356","Manjunatha, M. N.; Ziaulla, Mohamed; Sankolli, Ravish; Begum, Noor Shahina; Nagasundara, K. R.","Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocuprate(II) dihydrate","Acta Crystallographica Section E","2011","67","5","m578","","10.1107/S1600536811012840","","","0.71073","MoKα","","0.1158","0.0586","","","0.1043","0.1267","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229983","10.28","0.002","11.777","0.002","12.276","0.003","113.66","0.03","95.19","0.03","96.58","0.03","1337","0.6","113.2","","113.2","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(2,2'-bipyridine)di-μ~3~-hydroxido-bis(μ-2- oxidobezoato)tetracopper(II) dinitrate tetrahydrate","","- C54 H50 Cu4 N10 O18 -","- C54 H50 Cu4 N10 O18 -","- C54 H50 Cu4 N10 O18 -","1","0.5","GK2359","Feng, Miao; Gu, Chao; Mi, Huai-Feng; Hu, Tong-Liang","Tetrakis(2,2'-bipyridine)di-μ~3~-hydroxido-bis(μ-2-oxidobenzoato)tetracopper(II) dinitrate tetrahydrate","Acta Crystallographica Section E","2011","67","5","m520","","10.1107/S1600536811011433","","","0.71073","MoKα","","0.0596","0.0402","","","0.0776","0.0863","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229984","7.7398","0.0004","17.1869","0.0009","8.4856","0.0005","90","","101.459","0.006","90","","1106.28","0.11","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","GK2361","Ouzidan, Younes; Kandri Rodi, Youssef; Jasinski, Jerry P.; Butcher, Raymond J.; Golen, James A.; El Ammari, Lahcen","1,3-Bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","5","o1091","","10.1107/S1600536811012578","","","0.71073","MoKα","","0.0486","0.0402","","","0.0975","0.1038","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229985","11.3553","0.0006","11.5915","0.0005","12.2542","0.0008","90","","98.685","0.006","90","","1594.46","0.15","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[2-(6-Bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin- 3-yl)ethyl]-1,3-oxazolidin-2-one","","- C17 H15 Br N4 O2 -","- C17 H15 Br N4 O2 -","- C68 H60 Br4 N16 O8 -","4","1","GK2362","Ouzidan, Younes; Jasinski, Jerry P.; Butcher, Raymond J.; Golen, James A.; Essassi, El Mokhtar; El Ammari, Lahcen","3-[2-(6-Bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl)ethyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2011","67","5","o1095","","10.1107/S1600536811012669","","","0.71073","MoKα","","0.0582","0.0368","","","0.0802","0.0905","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229986","14.325","0.002","7.393","0.002","19.726","0.0012","90","","109.42","0.02","90","","1970.2","0.7","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-12,14-Dicyclopropyl-5,8,13,18,21- pentaoxapentacyclo[13.8.0.0^2,11^.0^4,9^.0^17,22^]tricosa- 1(15),2(11),3,9(10),16,22(23)-hexaene","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","0.5","GK2364","Tafeenko, Viktor A.; Aslanov, Leonid A.; Puretskiy, Nikolay A.; Fedotov, Aleksander N.; Mochalov, Sergei S.","<i>rac</i>-12,14-Dicyclopropyl-5,8,13,18,21-pentaoxapentacyclo[13.8.0.0^2,11^.0^4,9^.0^17,22^]tricosa-1(15),2(11),3,9(10),16,22(23)-hexaene","Acta Crystallographica Section E","2011","67","5","o1180","","10.1107/S1600536811013961","","","0.56085","AgKα","","0.1371","0.0619","","","0.1351","0.1696","","","","","","1.009","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229987","14.612","0.004","12.498","0.004","13.342","0.004","90","","118.728","0.004","90","","2136.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyridinium-4-carboxylate- κ<i>O</i>)europium(III) dinitrate","","- C12 H18 Eu N5 O17 -","- C12 H18 Eu N5 O17 -","- C48 H72 Eu4 N20 O68 -","4","0.5","GK2366","Zhong, Zhi-Guo; Song, Jin-Fan; Li, Jing; Meng, Zhao-Hui","Tetraaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyridinium-4-carboxylate-κ<i>O</i>)europium(III) dinitrate","Acta Crystallographica Section E","2011","67","5","m637","","10.1107/S1600536811014772","","","0.71073","MoKα","","0.0149","0.0146","","","0.0376","0.0378","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229988","5.6854","0.0003","21.2391","0.0013","12.3944","0.0007","90","","99.295","0.003","90","","1477.01","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Cyclohexylsulfonyl-2,5-dimethyl-1-benzofuran","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","GK2370","Seo, Pil Ja; Choi, Hong Dae; Lee, Uk","3-Cyclohexylsulfonyl-2,5-dimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","5","o1225","","10.1107/S160053681101498X","","","0.71073","MoKα","","0.0573","0.04","","","0.097","0.1059","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229989","11.1424","0.0009","12.7445","0.0006","16.3298","0.0011","90.904","0.006","109.222","0.006","114.048","0.005","1969.1","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-Ethyl (2<i>Z</i>)-3-{2-[(<i>Z</i>)-4-ethoxy- 4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate","","- C18 H30 N2 O4 -","- C18 H30 N2 O4 -","- C72 H120 N8 O16 -","4","2","GK2371","Harrad, Mohamed Anoir; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado","<i>rac</i>-Ethyl (2<i>Z</i>)-3-{2-[(<i>Z</i>)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate","Acta Crystallographica Section E","2011","67","5","o1269","o1270","10.1107/S1600536811015248","","","1.54178","CuKα","","0.0437","0.0341","","","0.0893","0.1055","","","","","","1.155","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229990","8.9935","0.0002","10.0413","0.0002","13.9439","0.0003","91.189","0.001","97.957","0.001","94.869","0.001","1241.93","0.05","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]isopropylamine- κ^2^<i>N</i>,<i>P</i>}palladium(II) dimethyl sulfoxide monosolvate","","- C24 H28 Cl2 N O P Pd S -","- C24 H28 Cl2 N O P Pd S -","- C48 H56 Cl4 N2 O2 P2 Pd2 S2 -","2","1","GO2010","Chiririwa, Haleden; Meijboom, Reinout; Omondi, Bernard","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]isopropylamine-κ^2^<i>N</i>,<i>P</i>}palladium(II) dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2011","67","5","m608","m609","10.1107/S1600536811013936","","","0.71073","MoKα","","0.0393","0.0287","","","0.0642","0.0692","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229991","9.27","0.0008","14.5143","0.001","15.9754","0.0013","93.623","0.005","104.266","0.005","101.876","0.005","2023.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diaminopyridinium tetraphenylborate‒1,2-bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene (1/1)","","- C49 H46 B N9 -","- C49 H46 B N9 -","- C98 H92 B2 N18 -","2","1","GW2100","Mudraboyina, Bhanu P.; Wang, Hong-Bo; Newbury, Roaxanne; Wisner, James A.","2,6-Diaminopyridinium tetraphenylborate‒1,2-bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene (1/1)","Acta Crystallographica Section E","2011","67","5","o1222","","10.1107/S1600536811012943","","","0.71073","MoKα","","0.1365","0.0605","","","0.1291","0.1661","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229992","10.2247","0.0002","7.6353","0.0001","10.7292","0.0002","90","","97.992","0.001","90","","829.48","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Royleanone","(4b<i>S</i>,8a<i>S</i>)-3-hydroxy-2-isopropyl-4b,8,8-trimethyl- 4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","HB5812","Fun, Hoong-Kun; Chantrapromma, Suchada; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Karalai, Chatchanok","Redetermined structure, intermolecular interactions and absolute configuration of royleanone","Acta Crystallographica Section E","2011","67","5","o1032","o1033","10.1107/S1600536811011457","","","1.54178","CuKα","","0.0363","0.0361","","","0.0976","0.0978","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229993","9.901","0.003","16.583","0.005","18.61","0.005","99.35","0.006","91.831","0.006","96.454","0.004","2991.9","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","2-Isonicotinoyl-<i>N</i>-phenylhydrazinecarbothioamide dimethylformamide hemisolvate","","- C14.5 H15.5 N4.5 O1.5 S -","- C14.5 H15.5 N4.5 O1.5 S -","- C116 H124 N36 O12 S8 -","8","4","HB5821","Zhao, Pei-Hua; Jiang, Shao-Liang","2-Isonicotinoyl-<i>N</i>-phenylhydrazinecarbothioamide dimethylformamide hemisolvate","Acta Crystallographica Section E","2011","67","5","o1081","","10.1107/S1600536811011950","","","0.71073","MoKα","","0.092","0.0686","","","0.1323","0.143","","","","","","1.125","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229994","7.4581","0.0009","16.848","0.0015","21.356","0.002","90","","90","","90","","2683.5","0.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Chlorophenyl)-6-fluoro-2-methyl-1<i>H</i>-indole-3-carbonitrile","","- C16 H10 Cl F N2 -","- C16 H10 Cl F N2 -","- C128 H80 Cl8 F8 N16 -","8","1","HB5823","Yang, Kun; Li, Pei-Fan; Liu, Yan; Fang, Zhi-Zhong","1-(2-Chlorophenyl)-6-fluoro-2-methyl-1<i>H</i>-indole-3-carbonitrile","Acta Crystallographica Section E","2011","67","5","o1041","","10.1107/S1600536811011214","","","0.71075","MoKα","","0.0509","0.0407","","","0.1059","0.1128","","","","","","1.112","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229995","17.6607","0.0012","15.1593","0.001","8.9192","0.0006","90","","90","","90","","2387.9","0.3","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","Diphenylphosphonimidotriphenylphosphorane","Diphenylphosphonimidotriphenylphosphorane","","- C30 H25 N O P2 -","- C30 H25 N O P2 -","- C120 H100 N4 O4 P8 -","4","1","HB5826","Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk","Redetermined structure of diphenylphosphonimidotriphenylphosphorane: location of the hydrogen atoms and analysis of the intermolecular interactions","Acta Crystallographica Section E","2011","67","5","o1028","o1029","10.1107/S1600536811011500","","","0.71073","MoKα","","0.0292","0.0273","","","0.0739","0.0763","","","","","","1.108","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229996","7.951","0.003","10.249","0.003","11.109","0.004","76.7","0.03","77.42","0.03","76.5","0.02","843.7","0.5","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 4,6-diacetamidoisophthalate","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C32 H40 N4 O12 -","2","1","HB5828","Li, Peishen; Li, Xianghui; Chen, Chao; Yuan, Lihua; Feng, Wen","Diethyl 4,6-diacetamidoisophthalate","Acta Crystallographica Section E","2011","67","5","o1185","","10.1107/S1600536811013845","","","0.71073","MoKα","","0.1289","0.079","","","0.2339","0.2675","","","","","","1.087","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229997","12.758","0.0006","11.2504","0.0006","18.8088","0.0007","90","","94.72","0.002","90","","2690.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-({[(<i>E</i>)-Pyridin-3-ylmethylidene]amino}methyl)cyclohexanecarboxylic acid","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C112 H144 N16 O16 -","8","2","HB5830","Nisar, Muhammad; Ali, Ihsan; Tahir, M. Nawaz; Qayum, Mughal; Marwat, Inamullah Khan","4-({[(<i>E</i>)-Pyridin-3-ylmethylidene]amino}methyl)cyclohexanecarboxylic acid","Acta Crystallographica Section E","2011","67","5","o1058","","10.1107/S1600536811011779","","","0.71073","MoKα","","0.1058","0.0626","","","0.1776","0.2071","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2229998","4.82","0.001","38.385","0.003","7.207","0.002","90","","96.381","0.002","90","","1325.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethoxy-6-[(3-methylpyridin-2-yl)iminomethyl]phenol","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","HB5833","Yuan, Xiao-Ling","2-Ethoxy-6-[(3-methylpyridin-2-yl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","5","o1064","","10.1107/S1600536811012116","","","0.71073","MoKα","","0.1694","0.0739","","","0.1585","0.1995","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229999","9.6061","0.0002","28.6277","0.0004","9.8187","0.0002","90","","112.86","0.002","90","","2488.07","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-isopropyl- <i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium","","- C20 H28 Cd N4 S4 -","- C20 H28 Cd N4 S4 -","- C80 H112 Cd4 N16 S16 -","4","1","HB5834","Wahab, Nor Asiken Abdul; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium","Acta Crystallographica Section E","2011","67","5","m551","m552","10.1107/S1600536811012414","","","0.71073","MoKα","","0.028","0.022","","","0.05","0.053","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230000","11.8015","0.0003","16.6316","0.0004","13.7505","0.0003","90","","101.738","0.002","90","","2642.48","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato- κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc","","- C22 H28 N4 S4 Zn -","- C22 H28 N4 S4 Zn -","- C88 H112 N16 S16 Zn4 -","4","1","HB5835","Wahab, Nor Asiken Abdul; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","Bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc","Acta Crystallographica Section E","2011","67","5","m553","m554","10.1107/S1600536811012499","","","0.71073","MoKα","","0.051","0.036","","","0.083","0.093","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230001","10.0488","0.0001","18.0008","0.0002","15.2054","0.0002","90","","102.442","0.001","90","","2685.86","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>N</i>-Butyl-<i>N</i>-phenyldithiocarbamato-κ<i>S</i>)triphenyltin(IV)","","- C29 H29 N S2 Sn -","- C29 H29 N S2 Sn -","- C116 H116 N4 S8 Sn4 -","4","1","HB5836","Kamaludin, Nurul Farahana; Baba, Ibrahim; Awang, Normah; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","(<i>N</i>-Butyl-<i>N</i>-phenyldithiocarbamato-κ<i>S</i>)triphenyltin(IV)","Acta Crystallographica Section E","2011","67","5","m555","m556","10.1107/S1600536811012426","","","0.71073","MoKα","","0.031","0.024","","","0.056","0.06","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230002","9.0992","0.0006","10.5297","0.0006","16.4038","0.0008","75.784","0.005","77.831","0.005","82.877","0.005","1484.98","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-Benzoyl-3-methyl-3-pentylthiourea","","- C14 H20 N2 O S -","- C14 H20 N2 O S -","- C56 H80 N8 O4 S4 -","4","2","HB5837","Gunasekaran, N.; Jerome, P.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Benzoyl-3-methyl-3-pentylthiourea","Acta Crystallographica Section E","2011","67","5","o1149","","10.1107/S1600536811013365","","","0.71073","MoKα","","0.1235","0.062","","","0.1371","0.1843","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230003","11.9807","0.0006","13.8725","0.0007","8.5378","0.0004","90","","90","0.002","90","","1419","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,5-Dimethylphenol","3,5-Dimethylphenol","","- C8 H10 O -","- C8 H10 O -","- C64 H80 O8 -","8","2","HB5838","Betz, Richard; McCleland, Cedric; Marchand, Harold","Redetermination of 3,5-dimethylphenol","Acta Crystallographica Section E","2011","67","5","o1152","","10.1107/S1600536811013547","","","0.71073","MoKα","","0.0578","0.0506","","","0.1378","0.1431","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230004","12.3404","0.0007","9.0506","0.0005","14.6534","0.0006","90","","90.385","0.005","90","","1636.57","0.15","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Cyclohexyl-1-(3,5-dinitrobenzoyl)thiourea","","- C14 H16 N4 O5 S -","- C14 H16 N4 O5 S -","- C56 H64 N16 O20 S4 -","4","1","HB5839","Saeed, Sohail; Rashid, Naghmana; Sher, Muhammad; Ng, Seik Weng; Tiekink, Edward R. T.","3-Cyclohexyl-1-(3,5-dinitrobenzoyl)thiourea","Acta Crystallographica Section E","2011","67","5","o1148","","10.1107/S1600536811013377","","","0.71073","MoKα","","0.1155","0.0614","","","0.1622","0.2106","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230005","17.454","0.004","6.111","0.0012","17.179","0.003","90","","100.32","0.03","90","","1802.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-{4-[(<i>E</i>)-3-Chlorobenzylideneamino]phenyl}- 3-(3-chlorophenyl)prop-2-en-1-one","","- C22 H15 Cl2 N O -","- C22 H15 Cl2 N O -","- C88 H60 Cl8 N4 O4 -","4","1","HB5842","Cheng, Jian-Ming; Zheng, Yun-Feng; Peng, Guo-Ping","(<i>E</i>)-1-{4-[(<i>E</i>)-3-Chlorobenzylideneamino]phenyl}-3-(3-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","5","o1217","","10.1107/S1600536811013778","","","0.71073","MoKα","","0.0906","0.0565","","","0.1257","0.1447","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230006","14.96","0.003","15.237","0.003","12.139","0.002","90","","103.94","0.03","90","","2685.5","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dinitratocopper(II)]-μ-4,4''-bis(1<i>H</i>- benzimidazol-1-yl)-1,1':4',1''-terphenyl]","","- C32 H22 Cu N6 O6 -","- C32 H22 Cu N6 O6 -","- C128 H88 Cu4 N24 O24 -","4","0.5","HB5843","Jiang, Hong-Shi; Li, Hui; Wang, Jian; Ma, Hui-Xuan; Zhang, Zhe","<i>catena</i>-Poly[[dinitratocopper(II)]-μ-4,4''-bis(1<i>H</i>-benzimidazol-1-yl)-1,1':4',1''-terphenyl]","Acta Crystallographica Section E","2011","67","5","m603","","10.1107/S1600536811013596","","","0.71073","MoKα","","0.047","0.0436","","","0.1212","0.1238","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230007","24.3084","0.0016","7.7235","0.0005","26.6479","0.0018","90","","114.292","0.001","90","","4560.1","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","17-Deoxoestrone [estra-1,3,5(10)-trien-3-ol]‒methanol (3/1)","13-methyl-6,7,8,9,11,12,13,14,15,16- decahydrocyclopenta[<i>a</i>]phenanthren-3-ol‒methanol (3/1)","","- C18.33333 H25.33333 O1.33333 -","- C18.3333 H25.3333 O1.33333 -","- C220 H304 O16 -","12","3","HB5844","Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Ng, Seik Weng; Tiekink, Edward R. T.","17-Deoxoestrone [estra-1,3,5(10)-trien-3-ol]‒methanol (3/1)","Acta Crystallographica Section E","2011","67","5","o1160","o1161","10.1107/S1600536811013651","","","0.71073","MoKα","","0.0717","0.052","","","0.1282","0.141","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2230008","7.9406","0.0004","21.2839","0.001","9.5967","0.0004","90","","94.379","0.004","90","","1617.17","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3,5-Dinitrobenzoyl)-3,3-dipropylthiourea","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","1","HB5845","Saeed, Sohail; Rashid, Naghmana; Sher, Muhammad; Ng, Seik Weng; Tiekink, Edward R. T.","1-(3,5-Dinitrobenzoyl)-3,3-dipropylthiourea","Acta Crystallographica Section E","2011","67","5","o1162","","10.1107/S1600536811013638","","","0.71073","MoKα","","0.0697","0.0548","","","0.1398","0.1536","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230009","12.699","0.0018","8.8022","0.0013","13.172","0.002","90","","105.565","0.002","90","","1418.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","HB5847","Fun, Hoong-Kun; Arshad, Suhana; Sarojini, B. K.; Khaleel, V. Musthafa; Narayana, B.","(2<i>E</i>)-1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","5","o1248","o1249","10.1107/S1600536811015054","","","0.71073","MoKα","","0.0824","0.0472","","","0.1128","0.1314","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230010","12.9151","0.0004","6.0438","0.0003","21.2851","0.0007","90","","92.147","0.003","90","","1660.27","0.11","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Bis(4-fluorophenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine","","- C21 H16 F2 N2 -","- C21 H16 F2 N2 -","- C84 H64 F8 N8 -","4","1","HB5848","Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","2,4-Bis(4-fluorophenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section E","2011","67","5","o1262","o1263","10.1107/S1600536811015455","","","0.71073","MoKα","","0.1805","0.0607","","","0.0897","0.1514","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230011","10.1463","0.0002","10.5595","0.0002","11.5775","0.0002","96.868","0.001","109.638","0.001","110.833","0.001","1050.83","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>- benzimidazole-5-carboxylate","","- C23 H24 F3 N3 O3 -","- C23 H24 F3 N3 O3 -","- C46 H48 F6 N6 O6 -","2","1","HB5849","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Hemamalini, Madhukar; Fun, Hoong-Kun","Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2011","67","5","o1215","","10.1107/S1600536811014619","","","0.71073","MoKα","","0.045","0.0382","","","0.1002","0.1055","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230012","8.9204","0.0002","6.035","0.0002","22.475","0.0006","90","","90.051","0.003","90","","1209.93","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-2-[2-(Cyclohexylcarbamothioyl)hydrazinylidene]propanoic acid","","- C10 H17 N3 O2 S -","- C10 H17 N3 O2 S -","- C40 H68 N12 O8 S4 -","4","1","HB5851","Affan, Md. Abu; Salam, Md. Abdus; Ahmad, Fasihuddin B.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-[2-(Cyclohexylcarbamothioyl)hydrazinylidene]propanoic acid","Acta Crystallographica Section E","2011","67","5","o1193","","10.1107/S1600536811014449","","","0.71073","MoKα","","0.0525","0.0408","","","0.1209","0.1434","","","","","","0.975","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230013","13.4757","0.0007","8.517","0.0006","24.6285","0.0017","90","","90","","90","","2826.7","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide","","- C14 H9 N3 O6 -","- C14 H9 N3 O6 -","- C112 H72 N24 O48 -","8","1","HB5852","Saeed, Sohail; Rashid, Naghmana; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide","Acta Crystallographica Section E","2011","67","5","o1194","","10.1107/S1600536811014450","","","0.71073","MoKα","","0.1167","0.0654","","","0.1708","0.2173","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230014","20.351","0.002","12.749","0.001","7.41","0.002","90","","90","","90","","1922.6","0.6","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2- (dimethylamino)ethylimino]methyl}phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)","","- C16 H20 Br Cl N2 O4 V -","- C16 H20 Br Cl N2 O4 V -","- C64 H80 Br4 Cl4 N8 O16 V4 -","4","1","HB5858","Wang, Fu-Ming","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2-(dimethylamino)ethylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)","Acta Crystallographica Section E","2011","67","5","m650","","10.1107/S1600536811015406","","","0.71073","MoKα","","0.0988","0.0469","","","0.0822","0.0999","","","","","","0.93","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230015","15.044","0.006","11.303","0.004","12.783","0.005","90","","108.009","0.015","90","","2067.2","1.4","273.1","","273.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[2-(1<i>H</i>-Imidazol-3-ium-5-yl)ethyl]-3-(pyridin-2-yl)-2<i>H</i>- imidazo[1,5-<i>a</i>]pyridin-4-ium bis(perchlorate)","","- C17 H17 Cl2 N5 O8 -","- C17 H17 Cl2 N5 O8 -","- C68 H68 Cl8 N20 O32 -","4","1","HB5862","Türkyılmaz, Murat; Baran, Yakup; Özdemir, Namık","2-[2-(1<i>H</i>-Imidazol-3-ium-5-yl)ethyl]-3-(pyridin-2-yl)-2<i>H</i>-imidazo[1,5-<i>a</i>]pyridin-4-ium bis(perchlorate)","Acta Crystallographica Section E","2011","67","5","o1282","","10.1107/S1600536811015625","","","0.71073","MoKα","","0.1284","0.074","","","0.1851","0.214","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230016","6.0775","0.0005","8.8106","0.0005","12.5794","0.0007","90","","99.904","0.007","90","","663.54","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(4-Chloroanilino)-2,5-dimethylcyclohex-2-en-1-one","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C28 H32 Cl2 N2 O2 -","2","1","HG2794","North, Henry; Wutoh, Kwame; Odoom, M'egya K.; Karla, Pradeep; Scott, Kenneth R.; Butcher, Ray J.","3-(4-Chloroanilino)-2,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2011","67","5","o1283","o1284","10.1107/S1600536811005678","","","1.54178","CuKα","","0.0601","0.0537","","","0.1444","0.1496","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230017","14.309","0.003","8.533","0.0017","19.432","0.004","90","","90","","90","","2372.6","0.8","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(3-Methoxyphenoxy)benzoic acid","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","1","HG5013","Zhang, Zhi-Fang","2-(3-Methoxyphenoxy)benzoic acid","Acta Crystallographica Section E","2011","67","5","o1078","","10.1107/S1600536811011019","","","0.71073","MoKα","","0.1439","0.0623","","","0.1103","0.1327","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230018","9.9914","0.0008","10.7258","0.0009","11.6166","0.001","73.208","0.001","70.082","0.001","86.293","0.001","1119.74","0.16","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Aquabis(3-fluorobenzoato-κ<i>O/</i>)(1,10-phenanthroline- κ^2^<i>N/</i>,<i>N/</i>')copper(II)","","- C26 H18 Cu F2 N2 O5 -","- C26 H18 Cu F2 N2 O5 -","- C52 H36 Cu2 F4 N4 O10 -","2","1","HG5016","Yin, Xin","Aquabis(3-fluorobenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2011","67","5","m564","m565","10.1107/S1600536811012220","","","0.71073","MoKα","","0.0628","0.0459","","","0.1237","0.1316","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230019","4.8042","0.0001","14.9134","0.0004","18.4793","0.0005","90","","90","","90","","1323.99","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl (2<i>E</i>)-2-(2<i>H</i>-1,3-benzodioxol-5-ylmethylidene)-4-chloro-3- oxobutanoate","","- C14 H13 Cl O5 -","- C14 H13 Cl O5 -","- C56 H52 Cl4 O20 -","4","1","HG5017","Zukerman-Schpector, Julio; Abd Salim, Siti Nadiah; Moran, Paulo J. S.; de Paula, Bruno R. S.; Rodrigues, J. Augusto R.; Tiekink, Edward R. T.","Ethyl (2<i>E</i>)-2-(2<i>H</i>-1,3-benzodioxol-5-ylmethylidene)-4-chloro-3-oxobutanoate","Acta Crystallographica Section E","2011","67","5","o1044","","10.1107/S1600536811011780","","","0.71073","MoKα","","0.0352","0.0305","","","0.0711","0.0734","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230020","8.4226","0.001","9.5572","0.001","11.0351","0.0011","105.423","0.009","105.677","0.009","95.781","0.009","810.06","0.17","170","2","170","2","","","","","","","","4","P -1","-P 1","2","1H-imidazole","1-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-4,5-dimethyl-1<i>H</i>-imidazole","","- C19 H19 F N2 -","- C19 H19 F N2 -","- C38 H38 F2 N4 -","2","1","HG5018","Rosepriya, S.; Thiruvalluvar, A.; Jayabharathi, J.; Srinivasan, N.; Butcher, R. J.; Jasinski, J. P.; Golen, J. A.","1-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-4,5-dimethyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","5","o1065","","10.1107/S1600536811012098","","","1.54178","CuKα","","0.0556","0.0522","","","0.1543","0.1586","","","","","","1.066","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2230021","6.277","0.0001","11.5684","0.0002","14.1443","0.0002","85.497","0.001","89.9","0.001","76.144","0.001","993.97","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxybenzyl)-4,6-diphenyl-2,5-diazabicyclo[2.2.2]oct-5-en-3-one","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","HG5019","Alen, Jo; Dobrzańska, Liliana; Van Meervelt, Luc; De Borggraeve, Wim M.","2-(4-Methoxybenzyl)-4,6-diphenyl-2,5-diazabicyclo[2.2.2]oct-5-en-3-one","Acta Crystallographica Section E","2011","67","5","o1070","o1071","10.1107/S1600536811012165","","","1.54178","CuKα","","0.047","0.0391","","","0.099","0.1049","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230022","11.593","0.003","9.182","0.002","27.796","0.006","90","","90","","90","","2958.8","1.2","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1-Ethyl-5-methoxy-1<i>H</i>-indol-3-yl)-<i>N</i>-isopropyl-2-oxoacetamide","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","1","HG5020","Tang, Xiao-Wei; Zhu, Tie-Liang; Chen, Hong; Tian, Dan-Li; Shi, Shao-Yu","2-(1-Ethyl-5-methoxy-1<i>H</i>-indol-3-yl)-<i>N</i>-isopropyl-2-oxoacetamide","Acta Crystallographica Section E","2011","67","5","o1158","","10.1107/S1600536811012815","","","0.71073","MoKα","","0.0501","0.0471","","","0.1301","0.1329","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230023","9.493","0.003","12.459","0.005","21.28","0.008","90","","102.241","0.007","90","","2459.6","1.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-Benzyl-<i>N</i>-(2,6-diisopropylphenyl)-1,2,3,4- tetrahydroisoquinoline-3-carboxamide","","- C29 H34 N2 O -","- C29 H34 N2 O -","- C116 H136 N8 O4 -","4","2","HG5021","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(<i>S</i>)-2-Benzyl-<i>N</i>-(2,6-diisopropylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2011","67","5","o1106","","10.1107/S1600536811012554","","","0.71073","MoKα","","0.1397","0.0567","","","0.1158","0.1457","","","","","","0.976","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230024","14.6942","0.0002","6.1103","0.0001","21.5717","0.0004","90","","113.714","0.001","90","","1773.3","0.05","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate","","- C16 H17 Br O3 S Se -","- C16 H17 Br O3 S Se -","- C64 H68 Br4 O12 S4 Se4 -","4","1","HG5022","Zukerman-Schpector, Julio; De Simone, Carlos A.; Olivato, Paulo R.; Cerqueira, Jr, Carlos R.; Tiekink, Edward R. T.","1-(4-Bromophenyl)-2-ethylsulfinyl-2-(phenylselanyl)ethanone monohydrate","Acta Crystallographica Section E","2011","67","5","o1099","o1100","10.1107/S1600536811012712","","","0.71073","MoKα","","0.0463","0.0372","","","0.089","0.0947","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230025","7.3239","0.0003","12.0837","0.0007","9.6836","0.0004","90","","99.119","0.004","90","","846.17","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-2-(2-Phenylhydrazin-1-ylidene)propanoic acid","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","HG5024","Affan, Md. Abu; Salam, M. A.; Siew, Eleazar Veronica; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-(2-Phenylhydrazin-1-ylidene)propanoic acid","Acta Crystallographica Section E","2011","67","5","o1163","","10.1107/S1600536811013717","","","0.71073","MoKα","","0.0564","0.0428","","","0.1028","0.1142","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230026","14.6966","0.0008","7.3586","0.0004","14.0926","0.0008","90","","94.358","0.005","90","","1519.66","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-{(<i>E</i>)-[1-(2-Hydroxyphenyl)ethylidene]amino}-1-(2-methylphenyl)thiourea","","- C16 H17 N3 O S -","- C16 H17 N3 O S -","- C64 H68 N12 O4 S4 -","4","1","HG5025","Salam, Md. Abdus; Affan, Md. Abu; Asaruddin, Mohd. Razip; Ng, Seik Weng; Tiekink, Edward R. T.","3-{(<i>E</i>)-[1-(2-Hydroxyphenyl)ethylidene]amino}-1-(2-methylphenyl)thiourea","Acta Crystallographica Section E","2011","67","5","o1164","","10.1107/S1600536811013729","","","0.71073","MoKα","","0.111","0.0599","","","0.1324","0.1738","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230027","10.79","0.002","15.6","0.003","36.96","0.007","90","","91.2","0.03","90","","6220","2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Poly[[([2.2.2]-cryptand)rubidium] [[(18-crown-6)rubidium]dirubidiumnonastannide] pentaammonia]","Poly[[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)rubidium] [[(1,4,7,10,13,16-hexaoxacyclooctadecane)rubidium]di-μ-rubidium-μ- nonastannide] pentaammonia]","","- C30 H75 N7 O12 Rb4 Sn9 -","- C30 H72 N7 O12 Rb4 Sn9 -","- C120 H288 N28 O48 Rb16 Sn36 -","4","1","HP2005","Gaertner, Stefanie; Korber, Nikolaus","[Rb(18-crown-6)][Rb([2.2.2]-cryptand)]Rb~2~Sn~9~·5NH~3~","Acta Crystallographica Section E","2011","67","5","m613","m614","10.1107/S1600536811013997","","","0.71073","MoKα","","0.0656","0.0434","","","0.1069","0.1117","","","","","","0.835","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230028","6.8791","0.0005","7.2816","0.0005","10.1734","0.0007","90","","90.823","0.004","90","","509.54","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Trisodiumhexachlorodysprosate(III)","Trisodium hexachloridodysprosate","","- Cl6 Dy Na3 -","- Cl6 Dy Na3 -","- Cl12 Dy2 Na6 -","2","0.5","HP2006","Schurz, Christian M.; Meyer, Gerd; Schleid, Thomas","Na~3~DyCl~6~","Acta Crystallographica Section E","2011","67","5","i33","","10.1107/S1600536811014498","","","0.71069","Mo-Kα","","0.0241","0.0193","","","0.0438","0.0454","","","","","","1.081","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230029","6.8354","0.0002","9.4363","0.0002","19.9332","0.0004","90","","90.777","0.002","90","","1285.59","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Methoxy-<i>N</i>-methyl-3-nitro-4-nitromethyl-4<i>H</i>-chromen-2-amine","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C48 H52 N12 O24 -","4","1","HQ2002","Muthukumaran, J.; Parthiban, A.; Manivel, P.; Rao, H. Surya Prakash; Krishna, R.","6-Methoxy-<i>N</i>-methyl-3-nitro-4-nitromethyl-4<i>H</i>-chromen-2-amine","Acta Crystallographica Section E","2011","67","5","o1276","o1277","10.1107/S1600536811015595","","","0.71073","MoKα","","0.0527","0.0409","","","0.1098","0.1159","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230030","14.3867","0.0006","15.9145","0.0006","18.8218","0.0008","90","","103.175","0.001","90","","4196","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N,N,N',N'-Tetrakis(benzimidazol-2-ylmethyl)cyclohexane- 1,2-<i>trans</i>-diamine]iron(II) bis(perchlorate) methanol solvate","","- C39 H42 Cl2 Fe N10 O9 -","- C39 H42 Cl2 Fe N10 O9 -","- C156 H168 Cl8 Fe4 N40 O36 -","4","1","HY2418","Wu, Gui-Ling; Ou, Chun-Ping; Wang, Feng; Zhang, Jian-Ming; Lan, She-Min","[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(benzimidazol-2-ylmethyl)cyclohexane-1,2-<i>trans</i>-diamine]iron(II) bis(perchlorate) methanol solvate","Acta Crystallographica Section E","2011","67","5","m531","","10.1107/S1600536811011810","","","0.71073","MoKα","","0.0784","0.0564","","","0.1577","0.1756","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230031","22.527","0.006","22.527","0.006","10.29","0.004","90","","90","","90","","5222","3","293","2","293","2","","","","","","","","5","I 4","I 4","79","","[<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)threoninato- κ^2^<i>O</i>^1^,<i>N</i>](1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) hemihydrate","","- C24 H22 Cu N3 O5.5 -","- C24 H22 Cu N3 O5.5 -","- C192 H176 Cu8 N24 O44 -","8","1","HY2419","Jing, Buqin; Li, Lianzhi; Dong, Jianfang; Li, Jinghong","[<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)threoninato-κ^2^<i>O</i>^1^,<i>N</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) hemihydrate","Acta Crystallographica Section E","2011","67","5","m536","","10.1107/S1600536811012049","","","0.71073","MoKα","","0.1458","0.0762","","","0.2012","0.267","","","","","","0.898","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230032","8.8874","0.0003","10.3117","0.0004","10.3643","0.0004","68.881","0.0018","81.959","0.002","66.399","0.0017","811.91","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diiodido{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc","","- C13 H19 I2 N3 O Zn -","- C13 H19 I2 N3 O Zn -","- C26 H38 I4 N6 O2 Zn2 -","2","1","HY2422","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Diiodido{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc","Acta Crystallographica Section E","2011","67","5","m628","","10.1107/S1600536811014656","","","0.71073","MoKα","","0.0205","0.0182","","","0.0438","0.0451","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230033","11.955","0.002","13.796","0.003","12.707","0.003","90","","95.17","0.03","90","","2087.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1'-[(1,3-Dihydroxypropane-2,2-diyl)dimethylene]dipyridinium bis(hexafluorophosphate)","","- C15 H20 F12 N2 O2 P2 -","- C15 H20 F12 N2 O2 P2 -","- C60 H80 F48 N8 O8 P8 -","4","1","IM2266","Yuan, Ai-lin; Zheng, Chun-ling; Zhuang, Ling-hua; Wang, Chang-sheng; Wang, Guo-wei","1,1'-[(1,3-Dihydroxypropane-2,2-diyl)dimethylene]dipyridinium bis(hexafluorophosphate)","Acta Crystallographica Section E","2011","67","5","o1104","","10.1107/S1600536811013080","","","0.71073","MoKα","","0.0877","0.0527","","","0.122","0.1409","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230034","9.3788","0.0016","11.712","0.002","14.768","0.003","97.904","0.002","95.614","0.001","107.738","0.002","1513.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5,17-Dibromo-26,28-dihydroxy-25,27-dipropoxy-2,8,14,20-tetrathiacalix[4]arene","","- C30 H26 Br2 O4 S4 -","- C30 H26 Br2 O4 S4 -","- C60 H52 Br4 O8 S8 -","2","1","IM2275","Liu, Ling-Ling; Chen, Lu-Sheng; Ma, Jian-Ping; Guo, Dian-Shun","5,17-Dibromo-26,28-dihydroxy-25,27-dipropoxy-2,8,14,20-tetrathiacalix[4]arene","Acta Crystallographica Section E","2011","67","5","o1110","o1111","10.1107/S1600536811013043","","","0.71073","MoKα","","0.0582","0.0405","","","0.1","0.1076","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230035","5.8827","0.0005","8.3326","0.0007","51.909","0.004","90","","90","","90","","2544.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-{(<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Inden-3-yl)ethyl]iminomethyl}-1<i>H</i>- imidazole","","- C15 H15 N3 -","- C15 H15 N3 -","- C120 H120 N24 -","8","2","IM2276","Li, Zhao; Tian, Chong; Nie, Wanli; Borzov, Maxim V.","2-{(<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Inden-3-yl)ethyl]iminomethyl}-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","5","o1165","o1166","10.1107/S1600536811013286","","","0.71073","MoKα","","0.0635","0.0443","","","0.1049","0.1131","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230036","10.8699","0.0004","11.3387","0.0004","19.6264","0.0007","90","","122.133","0.002","90","","2048.42","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-Dibenzoylferrocenecarboxamide","","- C25 H19 Fe N O3 -","- C25 H19 Fe N O3 -","- C100 H76 Fe4 N4 O12 -","4","1","IM2277","Cetina, Mario; Kovač, Veronika; Rapić, Vladimir","<i>N</i>,<i>N</i>-Dibenzoylferrocenecarboxamide","Acta Crystallographica Section E","2011","67","5","m610","","10.1107/S1600536811013754","","","0.71073","MoKα","","0.0683","0.0324","","","0.0647","0.0683","","","","","","0.93","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230037","9.462","0.002","11.229","0.003","11.832","0.003","82.91","0.003","77.048","0.003","74.536","0.003","1178.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","8-(2,2,2-Trifluoroethoxy)quinolinium perchlorate‒ 8-(2,2,2-trifluoroethoxy)quinoline (1/1)","","- C22 H17 Cl F6 N2 O6 -","- C22 H17 Cl F6 N2 O6 -","- C44 H34 Cl2 F12 N4 O12 -","2","1","IM2278","Wu, Jun; Chen, Lu-Sheng; Liu, Qi-Kui; Guo, Dian-Shun","8-(2,2,2-Trifluoroethoxy)quinolinium perchlorate‒8-(2,2,2-trifluoroethoxy)quinoline (1/1)","Acta Crystallographica Section E","2011","67","5","o1131","o1132","10.1107/S1600536811013250","","","0.71073","MoKα","","0.0657","0.0504","","","0.1261","0.1367","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230038","12.7343","0.0019","13.937","0.002","9.0648","0.0014","90","","100.893","0.003","90","","1579.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4-Bis(5-methyl-1<i>H</i>-1,2,4-triazol-3-yl)benzene tetrahydrate","5-methyl-3-[4-(5-methyl-1<i>H</i>-1,2,4-triazol-3-yl)phenyl]-1<i>H</i>- 1,2,4-triazole tetrahydrate","","- C12 H20 N6 O4 -","- C12 H20 N6 O4 -","- C48 H80 N24 O16 -","4","0.5","IM2280","Zhu, Ai-Xin; Chen, Xiu-Li; Li, Zhen; Du, Yuan-Chao; Wang, Hong-Can","1,4-Bis(5-methyl-1<i>H</i>-1,2,4-triazol-3-yl)benzene tetrahydrate","Acta Crystallographica Section E","2011","67","5","o1255","","10.1107/S1600536811015133","","","0.71073","MoKα","","0.0615","0.0518","","","0.1395","0.1477","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230039","9.0287","0.0003","13.5239","0.0004","20.7505","0.0006","90","","108.894","0.001","90","","2397.19","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-Chloro-4-nitrobenzoato)(methanol)triphenyltin(IV)","","- C26 H22 Cl N O5 Sn -","- C26 H22 Cl N O5 Sn -","- C104 H88 Cl4 N4 O20 Sn4 -","4","1","IS2695","Win, Yip-Foo; Choong, Chen-Shang; Ha, Sie-Tiong; Quah, Ching Kheng; Fun, Hoong-Kun","(2-Chloro-4-nitrobenzoato)(methanol)triphenyltin(IV)","Acta Crystallographica Section E","2011","67","5","m535","","10.1107/S1600536811011962","","","0.71073","MoKα","","0.0295","0.0243","","","0.0564","0.0598","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230040","11.2836","0.0001","14.96","0.0002","15.1828","0.0003","109.257","0.001","98.503","0.001","105.743","0.001","2247.89","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2-Amino-3-nitrobenzoato-κ<i>O</i>)triphenyltin(IV)","","- C25 H20 N2 O4 Sn -","- C25 H20 N2 O4 Sn -","- C100 H80 N8 O16 Sn4 -","4","2","IS2696","Win, Yip-Foo; Choong, Chen-Shang; Heng, Mei-Hsuan; Quah, Ching Kheng; Fun, Hoong-Kun","(2-Amino-3-nitrobenzoato-κ<i>O</i>)triphenyltin(IV)","Acta Crystallographica Section E","2011","67","5","m561","m562","10.1107/S160053681101244X","","","0.71073","MoKα","","0.0583","0.032","","","0.0689","0.0795","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230041","9.679","0.003","11.256","0.003","12.661","0.002","79.09","0.02","76.46","0.02","73.04","0.02","1271.8","0.6","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Ethyl 5,5-dichloro-3-(4-chlorophenyl)-3a-methyl-4a-phenyl-3a,4,4a,5- tetrahydro-3<i>H</i>- aziridino[2,1-<i>d</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine- 1-carboxylate","Ethyl 3,3-dichloro-7-(4-chlorophenyl)-6-methyl-4-phenyl-2,7,8,10- tetraazatetracyclo[9.4.0.0^2,4^.0^6,10^]pentadeca-1(11),8,12,14-tetraene- 9-carboxylate","","- C27 H23 Cl3 N4 O2 -","- C27 H23 Cl3 N4 O2 -","- C54 H46 Cl6 N8 O4 -","2","1","IS2697","Boudina, Aicha; Baouid, Abdesselam; Driss, Mohamed; Soumhi, El Hassane","Ethyl 5,5-dichloro-3-(4-chlorophenyl)-3a-methyl-4a-phenyl-3a,4,4a,5-tetrahydro-3<i>H</i>-aziridino[2,1-<i>d</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate","Acta Crystallographica Section E","2011","67","5","o1211","","10.1107/S1600536811014115","","","0.71073","MoKα","","0.0465","0.0364","","","0.0948","0.1013","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230042","13.0197","0.0002","6.746","0.0001","32.0674","0.0005","90","","100.645","0.0004","90","","2768.04","0.07","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","3β-acetoxyolean-11,12-aziridin-28,13-β-olide","","- C32 H49 N O4 -","- C32 H49 N O4 -","- C128 H196 N4 O16 -","4","1","IS2699","Tan, Wen Nee; Wong, Keng Chong; Khairuddean, Melati; Hemamalini, Madhukar; Fun, Hoong-Kun","Absolute configuration of 3β-acetoxyolean-11,12-aziridin-28,13-β-olide","Acta Crystallographica Section E","2011","67","5","o1220","","10.1107/S1600536811014875","","","1.54178","CuKα","","0.0325","0.0325","","","0.0871","0.0872","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230043","6.4071","0.0001","10.1629","0.0002","17.1521","0.0003","106.372","0.001","92.4","0.001","97.551","0.001","1058.61","0.03","297","2","297","2","","","","","","","","5","P -1","-P 1","2","4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4- triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone","4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4- triazin-3-yl]sulfanyl}acetyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate","","- C20 H15 N7 O6 S -","- C20 H15 N7 O6 S -","- C40 H30 N14 O12 S2 -","2","1","IS2702","Fun, Hoong-Kun; Rosli, Mohd Mustaqim; Nithinchandra; Kalluraya, Balakrishna","4-(2-{[4-Amino-6-(4-nitrobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)-3-phenylsydnone","Acta Crystallographica Section E","2011","67","5","o1196","","10.1107/S1600536811014504","","","0.71073","MoKα","","0.0713","0.0467","","","0.117","0.1313","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230044","7.0942","0.0002","11.7149","0.0004","10.1921","0.0003","90","","90.805","0.001","90","","846.96","0.05","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Fibaruretin B","2β,3α-dihydroxy-2,3,7,8α-tetrahydropenianthic acid lactone","","- C20 H24 O7 -","- C20 H24 O7 -","- C40 H48 O14 -","2","1","IS2703","Fun, Hoong-Kun; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Khairuddean, Melati; Chantrapromma, Suchada","Absolute configuration of fibaruretin B","Acta Crystallographica Section E","2011","67","5","o1246","o1247","10.1107/S1600536811014887","","","1.54178","CuKα","","0.0254","0.0254","","","0.0656","0.0656","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230045","14.274","0.004","7.5763","0.0018","20.753","0.005","90","","99.108","0.004","90","","2216","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(<i>E</i>)-<i>N</i>'-(5-Chloro-2-oxidobenzylidene-κ<i>O</i>)-3,4,5- trimethoxybenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](pyridine- κ<i>N</i>)copper(II)","","- C22 H20 Cl Cu N3 O5 -","- C22 H20 Cl Cu N3 O5 -","- C88 H80 Cl4 Cu4 N12 O20 -","4","1","JH2271","Wang, Yu-Min; Lin, Xiao-Hui; Chen, Zhen; Jiang, Hong-Li; Zhang, Chang-Jun","[(<i>E</i>)-<i>N</i>'-(5-Chloro-2-oxidobenzylidene-κ<i>O</i>)-3,4,5-trimethoxybenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](pyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2011","67","5","m526","","10.1107/S1600536811009901","","","0.71073","MoKα","","0.0423","0.0314","","","0.0795","0.0855","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230046","7.3272","0.0006","24.8129","0.0019","10.4556","0.0008","90","","97.391","0.001","90","","1885.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-(4-methoxybenzyl)-3-<i>p</i>-tolyl-1<i>H</i>-pyrazole-5-carboxylate","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","JH2273","Shi, Chuan-Xing; Xie, Yun-Man","Ethyl 1-(4-methoxybenzyl)-3-<i>p</i>-tolyl-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2011","67","5","o1084","","10.1107/S1600536811012311","","","0.71073","MoKα","","0.0529","0.0421","","","0.1094","0.1192","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230047","9.059","0.006","9.859","0.008","10.597","0.008","76.324","0.014","83.71","0.02","86.5","0.03","913.5","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium tetrafluoridoborate","","- C18 H19 B F4 N2 O -","- C18 H19 B F4 N2 O -","- C36 H38 B2 F8 N4 O2 -","2","1","JH2276","Li, Xiu-juan; Huang, Xian-gang; Li, Kang-jun","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium tetrafluoridoborate","Acta Crystallographica Section E","2011","67","5","o1061","","10.1107/S160053681101186X","","","0.71073","MoKα","","0.0865","0.0669","","","0.1854","0.2019","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230048","9.5444","0.0019","10.667","0.002","11.222","0.002","64.63","0.03","79.5","0.03","87.5","0.03","1014.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[diimidazolium [bis(μ-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(μ- pyridine-2,5-dicarboxylato)]","","- C34 H30 N8 O20 Pr2 -","- C34 H30 N8 O20 Pr2 -","- C34 H30 N8 O20 Pr2 -","1","0.5","JH2277","Zhang, Wenjun; Chen, Yanmei; Lei, Tao; Li, Yahong; Li, Wu","<i>catena</i>-Poly[diimidazolium [bis(μ-pyridine-2,5-dicarboxylato)bis[diaquapraseodymate(III)]]-bis(μ-pyridine-2,5-dicarboxylato)]","Acta Crystallographica Section E","2011","67","5","m569","m570","10.1107/S1600536811012360","","","0.71073","MoKα","","0.0157","0.0152","","","0.0421","0.0425","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230049","14.526","0.004","8.957","0.003","27.126","0.008","90","","90","","90","","3529.3","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[(Quinolin-8-yloxy)methyl]phenyl}benzonitrile","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C184 H128 N16 O8 -","8","1","JH2278","Wei, Bin","2-{4-[(Quinolin-8-yloxy)methyl]phenyl}benzonitrile","Acta Crystallographica Section E","2011","67","5","o1209","","10.1107/S1600536811012724","","","0.71073","MoKα","","0.1186","0.0824","","","0.1902","0.2217","","","","","","1.244","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2230050","4.9018","0.0008","15.543","0.002","18.846","0.002","90","","90","","90","","1435.9","0.3","113","","113","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3,4-bis(cyclopropylmethoxy)benzoate","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","JH2279","Cheng, Xian-Chao; Hou, Jing-Jing; Xie, Cheng-Zhi; Wang, Run-Ling; Xu, Wei-Ren","Methyl 3,4-bis(cyclopropylmethoxy)benzoate","Acta Crystallographica Section E","2011","67","5","o1130","","10.1107/S1600536811013158","","","0.71075","MoKα","","","0.0406","","","","0.1135","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230051","7.654","0.002","11.253","0.003","16.126","0.004","90","","99.634","0.006","90","","1369.4","0.6","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaqua(μ~2~-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>')(μ~2~-2,3,5,6- tetrafluorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)copper(II)] 1,4-dioxane disolvate dihydrate]","","- C20 H32 Cu F4 O14 -","- C20 H32 Cu F4 O14 -","- C40 H64 Cu2 F8 O28 -","2","0.5","JJ2078","Yu, Jing; Zhang, Yi-Feng; Sun, Fu-An; Chen, Qun","Poly[[diaqua(μ~2~-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>')(μ~2~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)copper(II)] 1,4-dioxane disolvate dihydrate]","Acta Crystallographica Section E","2011","67","5","m527","m528","10.1107/S1600536811009755","","","0.71073","MoKα","","0.0662","0.0518","","","0.164","0.1823","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230052","9.7327","0.0004","17.2187","0.0006","12.1303","0.0004","90","","100.045","0.002","90","","2001.69","0.13","116","2","116","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2- ylidene)ethylidene]cyclohexanone","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","JJ2085","Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.","4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexanone","Acta Crystallographica Section E","2011","67","5","o1210","","10.1107/S1600536811014590","","","0.71073","MoKα","","0.0617","0.0496","","","0.1264","0.1339","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","288505","2023-12-22","15:12:01",""
"2230053","12.3911","0.0013","14.7125","0.0016","10.2966","0.0011","90","","104.125","0.002","90","","1820.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(5-phenyl-1<i>H</i>-1,2,4-triazol-3-yl) disulfide dihydrate","5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole dihydrate","","- C16 H16 N6 O2 S2 -","- C16 H16 N6 O2 S2 -","- C64 H64 N24 O8 S8 -","4","0.5","JJ2087","Zhu, Ai-Xin; Liu, Jun-Na; Li, Zhen; Wang, Hong-Can; Du, Yuan-Chao","Bis(5-phenyl-1<i>H</i>-1,2,4-triazol-3-yl) disulfide dihydrate","Acta Crystallographica Section E","2011","67","5","o1208","","10.1107/S1600536811014607","","","0.71073","MoKα","","0.0473","0.0416","","","0.1147","0.1198","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230054","14.556","0.003","6.7607","0.0014","17.085","0.003","90","","101.63","0.03","90","","1646.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[μ-(<i>E</i>)-2-({2-[4- (dimethylamino)benzoyl]hydrazinylidene}methyl)phenolato]bis[formatozinc]","","- C34 H34 N6 O8 Zn2 -","- C34 H34 N6 O8 Zn2 -","- C68 H68 N12 O16 Zn4 -","2","0.5","JJ2088","Ma, Jie; Fan, Wei-Zhen; Lin, Li-Rong","A dinuclear zinc complex with (<i>E</i>)-4-dimethylamino-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","5","m624","m625","10.1107/S1600536811014462","","","0.71073","MoKα","","0.0363","0.0282","","","0.0732","0.0774","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230055","8.6347","0.0003","8.7663","0.0003","11.5155","0.0004","70.668","0.002","73.131","0.002","72.679","0.002","767.24","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate","","- C15 H16 Cl N3 O4 -","- C15 H16 Cl N3 O4 -","- C30 H32 Cl2 N6 O8 -","2","1","KJ2175","Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu","3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate","Acta Crystallographica Section E","2011","67","5","o1224","","10.1107/S1600536811014735","","","0.71073","MoKα","","0.0526","0.0384","","","0.103","0.1111","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230056","25.621","0.005","9.886","0.002","9.874","0.002","90","","97.32","0.03","90","","2480.6","0.9","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo- 1,3-thiazolidin-3-yl}acetate","","- C24 H29 N3 O5 S -","- C24 H29 N3 O5 S -","- C96 H116 N12 O20 S4 -","4","1","KP2314","Hu, Sixing; Liang, Guojuan; Fang, Dashu; Gan, Yongjun; Hu, Xiangnan","<i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate","Acta Crystallographica Section E","2011","67","5","o1075","","10.1107/S1600536811012177","","","0.71073","MoKα","","0.1435","0.0611","","","0.1322","0.162","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230057","8.0953","0.001","25.151","0.003","8.884","0.0011","90","","98.01","0.001","90","","1791.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C17 H20 N2 O5 S -","- C17 H20 N2 O5 S -","- C68 H80 N8 O20 S4 -","4","1","KP2315","Huang, Miao-Ling; Lin, Zhi-Yang","4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","5","o1062","","10.1107/S1600536811011949","","","0.71073","MoKα","","0.0546","0.0391","","","0.1008","0.1108","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230058","6.2629","0.0004","8.1515","0.0005","11.7761","0.0007","80.687","0.003","82.248","0.003","77.456","0.003","576","0.06","150","","150","","","","","","","","","8","P -1","-P 1","2","","<i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate","","- C14 H24 B2 Cl2 N2 O6 Pd S2 -","- C14 H24 B2 Cl2 N2 O6 Pd S2 -","- C14 H24 B2 Cl2 N2 O6 Pd S2 -","1","0.5","KP2316","Duong, Adam; Wuest, James D.; Maris, Thierry","<i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2011","67","5","m518","","10.1107/S1600536811010713","","","1.54178","CuKα","","0.0331","0.0308","","","0.081","0.0819","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230059","7.1294","0.0014","35.469","0.007","9.0211","0.0018","90","","97.8","0.03","90","","2260.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide","","- C10 H9 Cl N4 S -","- C10 H9 Cl N4 S -","- C80 H72 Cl8 N32 S8 -","8","2","KP2319","Gao, Jin-Sheng; Qiao, Jun; Yu, Ying-Hui; Hou, Guang-Feng","(<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide","Acta Crystallographica Section E","2011","67","5","o1140","","10.1107/S1600536811013316","","","0.71073","MoKα","","0.0721","0.0481","","","0.1228","0.1365","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230060","8.8866","0.0004","14.6386","0.0007","9.186","0.0004","90","","91.618","0.001","90","","1194.51","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(8<i>S</i>,9<i>S</i>,10<i>R</i>)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7- dimethoxy-17-methylmorphinan-6-one monohydrate","","- C26 H30 Cl N O5 -","- C26 H30 Cl N O5 -","- C52 H60 Cl2 N2 O10 -","2","1","KP2320","Zheng, Xing-Liang; Chen, Shu-Jun; Jiang, Ning-Fei; Zhan, Sue-Hui","(8<i>S</i>,9<i>S</i>,10<i>R</i>)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7-dimethoxy-17-methylmorphinan-6-one monohydrate","Acta Crystallographica Section E","2011","67","5","o1190","","10.1107/S1600536811013973","","","0.71073","MoKα","","0.0322","0.0299","","","0.0796","0.082","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230061","18.6999","0.0009","5.6415","0.0003","28.4855","0.0014","90","","94.498","0.001","90","","2995.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7- tetrahydro-2<i>H</i>-indazole","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","1","KP2321","Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.; Aliyev, Ilkin V.","<i>rac</i>-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2<i>H</i>-indazole","Acta Crystallographica Section E","2011","67","5","o1127","","10.1107/S1600536811013195","","","0.71073","MoKα","","0.0546","0.045","","","0.1201","0.1287","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230062","18.505","0.009","27.012","0.013","7.63","0.004","90","","90","","90","","3814","3","296","2","296","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","<i>rac</i>-(1<i>R</i>,2<i>S</i>,6<i>R</i>,7<i>R</i>)-4-{[(1<i>E</i>)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione","","- C21 H23 Cl N2 O2 -","- C21 H23 Cl N2 O2 -","- C168 H184 Cl8 N16 O16 -","8","2","LD2006","Huang, Jian-Xin; Duan, Wen-Gui; Ma, Xian-Li; Mo, Qi-Jin; Liang, Yin-Hua","<i>rac</i>-(1<i>R</i>,2<i>S</i>,6<i>R</i>,7<i>R</i>)-4-{[(1<i>E</i>)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione","Acta Crystallographica Section E","2011","67","5","o1251","","10.1107/S1600536811013468","","","0.71073","MoKα","","0.1265","0.0593","","","0.109","0.1289","","","","","","0.993","","","","has coordinates,has Fobs","211406","2020-10-21","18:00:00",""
"2230063","8.0761","0.0008","7.7874","0.0008","11.776","0.0011","90","","95.033","0.007","90","","737.76","0.13","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","LD2008","Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René","(<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine","Acta Crystallographica Section E","2011","67","5","o1257","","10.1107/S1600536811012980","","","0.71073","MoKα","","0.0475","0.0343","","","0.086","0.0941","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230064","12.6233","0.0011","5.8227","0.0005","15.6745","0.0014","90","","97.317","0.003","90","","1142.72","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Desyl Chloride","2-Chloro-1,2-diphenylethanone","","- C14 H11 Cl O -","- C14 H11 Cl O -","- C56 H44 Cl4 O4 -","4","1","LD2009","Betz, Richard; McCleland, Cedric; Hosten, Eric","2-Chloro-1,2-diphenylethanone (desyl chloride)","Acta Crystallographica Section E","2011","67","5","o1199","","10.1107/S1600536811014541","","","0.71073","MoKα","","0.046","0.0369","","","0.0971","0.1041","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230065","8.0597","0.0016","20.094","0.004","16.022","0.003","90","","95.29","0.03","90","","2583.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Methanol-κ<i>O</i>)(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>)triphenyltin(IV)","","- C27 H24 N2 O7 Sn -","- C27 H24 N2 O7 Sn -","- C108 H96 N8 O28 Sn4 -","4","1","LH5223","Danish, Muhammad; Ghafoor, Sabiha; Ahmad, Nazir; Starosta, Wojciech; Leciejewicz, Janusz","(Methanol-κ<i>O</i>)(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>)triphenyltin(IV)","Acta Crystallographica Section E","2011","67","5","m519","","10.1107/S1600536811011184","","","0.71073","MoKα","","0.1099","0.0365","","","0.1086","0.1328","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230066","8.0774","0.0003","12.6782","0.0005","14.4396","0.0005","114.157","0.002","92.879","0.002","100.384","0.002","1314.4","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","6-Bromo-3-{2-[2-(diphenylmethylene)hydrazinyl]-1,3-thiazol-5-yl}- 2<i>H</i>-chromen-2-one chloroform monosolvate","","- C26 H17 Br Cl3 N3 O2 S -","- C26 H17 Br Cl3 N3 O2 S -","- C52 H34 Br2 Cl6 N6 O4 S2 -","2","1","LH5227","Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun","6-Bromo-3-{2-[2-(diphenylmethylene)hydrazinyl]-1,3-thiazol-5-yl}-2<i>H</i>-chromen-2-one chloroform monosolvate","Acta Crystallographica Section E","2011","67","5","o1079","o1080","10.1107/S1600536811012335","","","0.71073","MoKα","","0.1411","0.0473","","","0.0982","0.1249","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230067","10.2986","0.0013","10.354","0.0012","17.993","0.002","86.65","0.002","84.036","0.002","62.429","0.002","1691.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Diphenyl (<i>o</i>-tolylamido)phosphonate","","- C19 H18 N O3 P -","- C19 H18 N O3 P -","- C76 H72 N4 O12 P4 -","4","2","LH5229","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Zargaran, Poorya","Diphenyl (<i>o</i>-tolylamido)phosphonate","Acta Crystallographica Section E","2011","67","5","o1170","","10.1107/S1600536811013924","","","0.71073","MoKα","","0.0488","0.0411","","","0.0991","0.1038","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230068","8.1426","0.0001","36.2705","0.0005","9.409","0.0001","90","","114.611","0.001","90","","2526.38","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hexadecyl-1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine- 2,4(3<i>H</i>,5<i>H</i>)-dione","","- C27 H44 N2 O2 -","- C27 H44 N2 O2 -","- C108 H176 N8 O8 -","4","1","LH5231","Dardouri, Rachida; Rodi, Youssef Kandri; Ladeira, Sonia; Essassi, El Mokhtar; Ng, Seik Weng","3-Hexadecyl-1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","5","o1155","","10.1107/S1600536811013663","","","0.71073","MoKα","","0.0803","0.0503","","","0.1403","0.159","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230069","12.1188","0.0018","17.016","0.003","20.621","0.003","90","","93.216","0.003","90","","4245.6","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,1,3,3,5,5,7,7-Octaphenyl-2,6-dioxa-4,8-diaza-1,3,5,7-tetrasilacyclooctane","2,2,4,4,6,6,8,8-octaphenyl-1,5,3,7,2,4,6,8-dioxadiazatetrasilocane","","- C48 H42 N2 O2 Si4 -","- C48 H42 N2 O2 Si4 -","- C192 H168 N8 O8 Si16 -","4","0.5","LH5233","Lv, Zhen; Dai, Lina; Zhang, Xuezhong; Zhang, Zhijie; Xie, Zemin","1,1,3,3,5,5,7,7-Octaphenyl-2,6-dioxa-4,8-diaza-1,3,5,7-tetrasilacyclooctane","Acta Crystallographica Section E","2011","67","5","o1233","","10.1107/S1600536811014851","","","0.71073","MoKα","","0.0581","0.052","","","0.1168","0.1204","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230070","10.731","0.002","11.021","0.002","13.859","0.003","88.32","0.009","76.12","0.006","78.86","0.008","1561","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,2,4,4-Tetraphenyl-1,3-bis(3,3,5,5-tetramethyl-1,1-diphenyl-5- vinyltrisiloxan-1-yl)cyclodisilazane","","- C60 H70 N2 O4 Si8 -","- C60 H70 N2 O4 Si8 -","- C60 H70 N2 O4 Si8 -","1","0.5","LH5235","Lv, Zhen; Dai, Lina; Zhang, Xuezhong; Zhang, Zhijie; Xie, Zemin","2,2,4,4-Tetraphenyl-1,3-bis(3,3,5,5-tetramethyl-1,1-diphenyl-5-vinyltrisiloxan-1-yl)cyclodisilazane","Acta Crystallographica Section E","2011","67","5","o1234","","10.1107/S1600536811014863","","","0.71073","MoKα","","0.0843","0.0715","","","0.1606","0.1694","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230071","28.5192","0.0005","18.1631","0.0003","25.4194","0.0005","90","","122.697","0.001","90","","11080.7","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,3-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium dipicrate acetonitrile sesquisolvate 0.25-hydrate","","- C51 H45 Cd N15.5 O16.25 -","- C51 H44.5 Cd N15.5 O16.25 -","- C408 H356 Cd8 N124 O130 -","8","1","LH5236","Wu, Huilu; Kou, Fan; Jia, Fei; Yuan, Jingkun; Liu, Bin","Bis[1,3-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium dipicrate acetonitrile sesquisolvate 0.25-hydrate","Acta Crystallographica Section E","2011","67","5","m647","","10.1107/S160053681101525X","","","0.71073","MoKα","","0.0393","0.0336","","","0.0966","0.1008","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2230072","10.5721","0.0002","10.426","0.0002","15.7633","0.0003","90","","101.641","0.001","90","","1701.77","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isopropyl-5-methoxy-2',3-dimethyl- 4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]- 1',3'(2'<i>H</i>,4'<i>H</i>)-dione","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","1","LH5237","Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao","(1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isopropyl-5-methoxy-2',3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","5","o1271","o1272","10.1107/S1600536811015315","","","0.71073","MoKα","","0.0484","0.0399","","","0.1026","0.1081","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230073","8.0488","0.0001","13.6065","0.0002","16.788","0.0002","90","","106.298","0.001","90","","1764.67","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isobutyl-5-methoxy-2',3-dimethyl-4,6- dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]- 1',3'(2'<i>H</i>,4'<i>H</i>)-dione","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","LH5238","Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao","(1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isobutyl-5-methoxy-2',3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","5","o1273","o1274","10.1107/S1600536811015327","","","0.71073","MoKα","","0.0438","0.0377","","","0.098","0.1033","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230074","8.7187","0.0018","11.385","0.002","13.198","0.003","96.17","0.003","93.728","0.002","105.861","0.003","1246.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-{[oxido(phenyl)methylidene]hydrazinylidene}propanoato) bis[dibenzyl(ethanol)tin(IV)]","","- C52 H56 N4 O8 Sn2 -","- C52 H56 N4 O8 Sn2 -","- C52 H56 N4 O8 Sn2 -","1","0.5","LR2004","Sun, Shaojun; Yang, Jie","Bis(μ-2-{[oxido(phenyl)methylidene]hydrazinylidene}propanoato)bis[dibenzyl(ethanol)tin(IV)]","Acta Crystallographica Section E","2011","67","5","m544","","10.1107/S1600536811011937","","","0.71073","MoKα","","0.0577","0.0421","","","0.1009","0.1162","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230075","15.354","0.003","12.394","0.002","9.0627","0.0018","90","","106.222","0.002","90","","1655.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5,5'-Dimethyl-2,2'-bipyridine)iodidotrimethylplatinum(IV)","","- C15 H21 I N2 Pt -","- C15 H21 I N2 Pt -","- C60 H84 I4 N8 Pt4 -","4","1","LR2005","Lundvall, Fredrik; Wragg, David Stephen; Tilset, Mats","(5,5'-Dimethyl-2,2'-bipyridine)iodidotrimethylplatinum(IV)","Acta Crystallographica Section E","2011","67","5","m617","m618","10.1107/S1600536811014085","","","0.71073","MoKα","","0.0388","0.0309","","","0.0743","0.078","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230076","6.6992","0.0002","8.4654","0.0002","14.1065","0.0003","101.773","0.001","99.283","0.001","92.067","0.001","770.94","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-cyclohexylsulfonyl-2,7-dimethyl-1-benzofuran","","- C16 H19 Br O3 S -","- C16 H19 Br O3 S -","- C32 H38 Br2 O6 S2 -","2","1","LR2008","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Bromo-3-cyclohexylsulfonyl-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","5","o1279","","10.1107/S160053681101539X","","","0.71073","MoKα","","0.0282","0.0248","","","0.0639","0.0655","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230077","7.5538","0.0004","8.0896","0.0004","13.041","0.0006","90","","115.364","0.003","90","","720.08","0.06","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-Chromanone","2<i>H</i>-Chromen-4(3<i>H</i>)-one","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","LW2060","Betz, Richard; McCleland, Cedric; Marchand, Harold","2<i>H</i>-Chromen-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","5","o1151","","10.1107/S1600536811013535","","","0.71073","MoKα","","0.0407","0.0371","","","0.1035","0.1069","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230078","5.991","0.001","8.958","0.001","17.531","0.002","99.502","0.011","95.241","0.012","105.499","0.01","885.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C38 H34 Br2 N4 O6 -","2","1","LW2061","Bortoluzzi, Adailton J.; Souza, Luciana B. P.; Joussef, Antônio C.; Meyer, Emerson","Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate","Acta Crystallographica Section E","2011","67","5","o1230","o1231","10.1107/S160053681101467X","","","0.71069","MoKα","","0.0999","0.0377","","","0.0836","0.0981","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230079","4.5114","0.0001","10.8637","0.0002","28.0865","0.0003","90","","92.414","0.001","90","","1375.31","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-(7-Methoxy-β-carbolin-1-yl)propionic acid monohydrate","3-(7-methoxy-9<i>H</i>-pyrido[3,4-<i>b</i>]indol-1-yl)propanoic acid monohydrate","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","MW2003","Dai, Dong-Mei; Zhong, Jia-Liang; An, Hui-Mei; Zou, Jian-Wei","3-(7-Methoxy-β-carbolin-1-yl)propionic acid monohydrate","Acta Crystallographica Section E","2011","67","5","o1167","","10.1107/S160053681101350X","","","1.54178","CuKα","","0.0455","0.0388","","","0.1081","0.1156","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230080","9.0456","0.0002","10.1996","0.0002","10.4216","0.0002","89.915","0.001","70.461","0.001","83.775","0.001","900.18","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Cyclohexyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C21 H21 F O3 S -","- C21 H21 F O3 S -","- C42 H42 F2 O6 S2 -","2","1","MW2005","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","5","o1053","","10.1107/S1600536811011767","","","0.71073","MoKα","","0.0462","0.0414","","","0.1057","0.1094","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230081","7.4318","0.0015","17.795","0.004","14.367","0.003","90","","100.408","0.004","90","","1868.8","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ferrocenyl(methyl)diphenylsilane","","- C23 H22 Fe Si -","- C23 H22 Fe Si -","- C92 H88 Fe4 Si4 -","4","1","MW2007","Liu, Yu-Peng; Li, Zong-Qi; Tan, Yong-Xia; Zhang, Zhi-Jie","Ferrocenyl(methyl)diphenylsilane","Acta Crystallographica Section E","2011","67","5","m636","","10.1107/S1600536811014796","","","0.71073","MoKα","","0.0546","0.0493","","","0.103","0.1054","","","","","","1.182","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230082","12.7401","0.0006","9.7095","0.0003","18.4622","0.0007","90","","93.518","0.002","90","","2279.47","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(sulfato-κ<i>O</i>)bis[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>- benzimidazole-κ<i>N</i>^3^]iron(II)","","- C20 H16 Fe N6 O5 S3 -","- C20 H16 Fe N6 O5 S3 -","- C80 H64 Fe4 N24 O20 S12 -","4","1","NC2220","Wang, Ying; Zhuang, Chang-Fu","Aqua(sulfato-κ<i>O</i>)bis[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]iron(II)","Acta Crystallographica Section E","2011","67","5","m633","","10.1107/S160053681101405X","","","0.71073","MoKα","","0.062","0.0412","","","0.1039","0.1136","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230083","10.206","0.001","10.9","0.001","13.461","0.002","68.19","0.01","87.64","0.02","67.08","0.01","1271.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-<i>N</i>-phenylbenzenesulfonamide","","- C12 H10 Cl N O2 S -","- C12 H10 Cl N O2 S -","- C48 H40 Cl4 N4 O8 S4 -","4","2","NC2229","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-phenylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","5","o1252","","10.1107/S1600536811015108","","","0.71073","MoKα","","0.1014","0.0474","","","0.1182","0.1332","","","","","","0.93","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230084","3.9002","0.0011","10.111","0.003","25.143","0.007","90","","90","","90","","991.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methylsulfanyl-6-(4-pyridyl)-1,3,5-triazin-2-amine","","- C9 H9 N5 S -","- C9 H9 N5 S -","- C36 H36 N20 S4 -","4","1","NG5131","Wu, Ya-Pan; Tang, Long; Fu, Feng; Liu, Qi-Rui","4-Methylsulfanyl-6-(4-pyridyl)-1,3,5-triazin-2-amine","Acta Crystallographica Section E","2011","67","5","o1143","","10.1107/S1600536811013171","","","0.71073","MoKα","","0.0633","0.0458","","","0.0896","0.096","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230085","7.5924","0.0006","8.306","0.0004","11.336","0.0009","78.639","0.005","84.976","0.007","77.497","0.006","683.49","0.09","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","2,6-Dichloro-1-[(1<i>E</i>)-2-(phenylsulfonyl)ethenyl]benzene","","- C14 H10 Cl2 O2 S -","- C14 H10 Cl2 O2 S -","- C28 H20 Cl4 O4 S2 -","2","1","NG5134","South, Michael S.; Obiako, Adirika J.; Sykora, Richard E.; Forbes, David C.","2,6-Dichloro-1-[(1<i>E</i>)-2-(phenylsulfonyl)ethenyl]benzene","Acta Crystallographica Section E","2011","67","5","o1055","","10.1107/S1600536811011901","","","0.71073","MoKα","","0.0539","0.0326","","","0.0725","0.0776","","","","","","0.945","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230086","8.3526","0.0005","11.815","0.0005","12.2668","0.0004","77.184","0.003","81.289","0.004","71.928","0.004","1117.7","0.09","296.9","0.2","296.9","0.2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N'</i>-dimethyl-<i>N</i>''- (4-nitrobenzoyl)phosphoric triamide","","- C23 H25 N4 O4 P -","- C23 H25 N4 O4 P -","- C46 H50 N8 O8 P2 -","2","1","NG5139","Pourayoubi, Mehrdad; Rostami Chaijan, Mahnaz; Torre-Fernández, Laura; García-Granda, Santiago","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''-(4-nitrobenzoyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","5","o1031","","10.1107/S1600536811011275","","","1.5418","CuKα","","0.0385","0.0346","","","0.0894","0.0931","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230087","15.617","0.006","8.083","0.003","11.585","0.004","90","","104.47","0.004","90","","1416","0.9","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Dimethyl 2,5-bis(5-hexylthiophen-2-yl)benzene-1,4-dioate","","- C30 H38 O4 S2 -","- C30 H38 O4 S2 -","- C60 H76 O8 S4 -","2","0.5","NG5141","Song, Cheng-Li; Liu, Ke; Zhang, Ai-Jiang; Xu, Zhu-Guo; Zhang, Hao-Li","Dimethyl 2,5-bis(5-hexylthiophen-2-yl)benzene-1,4-dioate","Acta Crystallographica Section E","2011","67","5","o1059","","10.1107/S1600536811011718","","","0.71073","MoKα","","0.0593","0.0412","","","0.0943","0.1042","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230088","8.1389","0.0008","9.8161","0.001","12.4823","0.0013","79.512","0.002","85.036","0.002","88.202","0.002","976.78","0.17","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ~2~-chlorido-dichlorido[μ~2~-4'-(4-pyridyl)-2,2':6',2''- terpyridine]copper(I)copper(II)]","","- C20 H14 Cl3 Cu2 N4 -","- C20 H14 Cl3 Cu2 N4 -","- C40 H28 Cl6 Cu4 N8 -","2","1","NG5143","Zhu, Chao-Ying","Poly[μ~2~-chlorido-dichlorido[μ~2~-4'-(4-pyridyl)-2,2':6',2''-terpyridine]copper(I)copper(II)]","Acta Crystallographica Section E","2011","67","5","m639","","10.1107/S1600536811014759","","","0.71073","MoKα","","0.0301","0.0268","","","0.0705","0.072","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230089","6.714","0.005","8.146","0.007","12.767","0.012","83.33","0.04","79.16","0.03","67.78","0.03","634.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimethylammonium 2-[(2-oxo-2<i>H</i>-chromen-7-yl)oxy]acetate","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C26 H30 N2 O10 -","2","1","NG5144","Dong, Feng-Xia","Dimethylammonium 2-[(2-oxo-2<i>H</i>-chromen-7-yl)oxy]acetate","Acta Crystallographica Section E","2011","67","5","o1105","","10.1107/S1600536811012761","","","0.71073","MoKα","","0.0686","0.0413","","","0.1145","0.1309","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230090","10.624","0.002","19.458","0.004","8.8063","0.0018","90","","101.35","0.03","90","","1784.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[1,2-Bis(pyridin-2-ylmethoxy)benzene- κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N'</i>]dichloridocopper(II)","","- C18 H16 Cl2 Cu N2 O2 -","- C18 H16 Cl2 Cu N2 O2 -","- C72 H64 Cl8 Cu4 N8 O8 -","4","0.5","NG5145","Huang, Nan-Nan; Zhang, Shuang; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng","[1,2-Bis(pyridin-2-ylmethoxy)benzene-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']dichloridocopper(II)","Acta Crystallographica Section E","2011","67","5","m596","","10.1107/S160053681101333X","","","0.71073","MoKα","","0.047","0.0337","","","0.0753","0.0805","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230091","8.6281","0.0017","10.701","0.002","10.921","0.002","78.77","0.03","79.04","0.03","78.55","0.03","957.2","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","[1,2-Bis(pyridin-2-ylmethoxy)benzene- κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-κ<i>O</i>)cobalt(II)","","- C18 H16 Co N4 O8 -","- C18 H16 Co N4 O8 -","- C36 H32 Co2 N8 O16 -","2","1","NG5146","Huang, Nan-Nan; Yu, Ying-Hui; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng","[1,2-Bis(pyridin-2-ylmethoxy)benzene-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2011","67","5","m598","","10.1107/S1600536811013328","","","0.71073","MoKα","","0.0742","0.044","","","0.0873","0.0983","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230092","8.736","0.005","7.809","0.005","16.122","0.01","90","","103.57","0.02","90","","1069.1","1.1","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(Diethylamino)salicylaldehyde azine","4-(Diethylamino)-2-hydroxybenzaldehyde azine","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","0.5","NG5147","Qiu, Jing-Bo; Yin, Bing-Zhu","4-(Diethylamino)salicylaldehyde azine","Acta Crystallographica Section E","2011","67","5","o1092","","10.1107/S1600536811013237","","","0.71073","MoKα","","0.1379","0.0739","","","0.1956","0.2284","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230093","7.9772","0.0004","7.9772","","10.2975","0.0006","90","","90","","120","","567.5","0.04","150","2","150","2","","","","","","","","3","P 63/m","-P 6c","176","","Tris(η^5^-cyclopentadienyl)hafnium(III)","","- C15 H15 Hf -","- C15 H15 Hf -","- C30 H30 Hf2 -","2","0.166667","NG5148","Burlakov, Vladimir V.; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe","Tris(η^5^-cyclopentadienyl)hafnium(III)","Acta Crystallographica Section E","2011","67","5","m629","","10.1107/S1600536811014516","","","0.71073","MoKα","","0.0382","0.0336","","","0.0737","0.0759","","","","","","1.217","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230094","7.0961","0.0008","8.2714","0.0009","11.723","0.0008","88.614","0.007","80.544","0.008","71.368","0.01","642.86","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(2-fluorobenzylidene)hydrazine","","- C13 H9 F N4 O4 -","- C13 H9 F N4 O4 -","- C26 H18 F2 N8 O8 -","2","1","NG5151","Jasinski, Jerry P.; Braley, Adam N.; Chidan Kumar, C. S.; Yathirajan, H. S.; Mayekar, A. N.","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(2-fluorobenzylidene)hydrazine","Acta Crystallographica Section E","2011","67","5","o1200","o1201","10.1107/S1600536811014383","","","0.71073","MoKα","","0.057","0.0454","","","0.1326","0.1425","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230095","6.1666","0.0012","18.206","0.004","15.702","0.003","90","","97.33","0.03","90","","1748.4","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Dimethylpyridin-4-aminium 1-phenylcyclopentane-1-carboxylate monohydrate","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","NG5153","He, Guangwen; Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","<i>N</i>,<i>N</i>-Dimethylpyridin-4-aminium 1-phenylcyclopentane-1-carboxylate monohydrate","Acta Crystallographica Section E","2011","67","5","o1227","","10.1107/S1600536811015200","","","0.71073","MoKα","","0.0548","0.0512","","","0.1358","0.1391","","","","","","1.127","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230096","9.7894","0.0019","9.7894","0.0019","10.483","0.002","90","","90","","120","","870","0.3","293","2","293","2","","","","","","","","5","P 31","P 31","144","","Poly[{μ~3~-3-[4-(1<i>H</i>-imidazol-1-ylmethyl)phenyl]prop-2-enoato- κ<i>N</i>:η^2^:κ<i>O</i>}copper(I)]","","- C13 H11 Cu N2 O2 -","- C13 H11 Cu N2 O2 -","- C39 H33 Cu3 N6 O6 -","3","1","NG5155","Lou, Benyong","Poly[{μ~3~-3-[4-(1<i>H</i>-imidazol-1-ylmethyl)phenyl]prop-2-enoato-κ<i>N</i>:η^2^:κ<i>O</i>}copper(I)]","Acta Crystallographica Section E","2011","67","5","m640","","10.1107/S1600536811015005","","","0.71073","MoKα","","0.0478","0.042","","","0.1005","0.1046","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230097","10.0782","0.0003","4.9979","0.0001","21.5827","0.0006","90","","99.287","0.002","90","","1072.87","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,6,7-Trichloro-2-methoxy-8-hydroxyquinoline","","- C10 H6 Cl3 N O2 -","- C10 H6 Cl3 N O2 -","- C40 H24 Cl12 N4 O8 -","4","1","NK2089","Chen, Qiu-Mao; Yi, Guo-Bin; An, Lin-Kun; Feng, Xiao-Long","5,6,7-Trichloro-2-methoxy-8-hydroxyquinoline","Acta Crystallographica Section E","2011","67","5","o1108","","10.1107/S1600536811010853","","","1.54178","CuKα","","0.0441","0.0391","","","0.1045","0.1096","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230098","7.2817","0.0008","20.66","0.002","9.3623","0.0009","90","","111.846","0.007","90","","1307.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(4-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)zinc <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C20 H32 N6 O12 Zn -","- C20 H32 N6 O12 Zn -","- C40 H64 N12 O24 Zn2 -","2","0.5","NK2096","Hao, Cheng-Jun; Xie, Hui","Diaquabis(4-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)zinc <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","5","m583","","10.1107/S1600536811012992","","","0.71073","MoKα","","0.0471","0.0339","","","0.0791","0.0857","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230099","22.812","0.0007","10.5199","0.0004","16.1346","0.0006","90","","103.926","0.001","90","","3758.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Phenyl(3-methyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C176 H136 N8 O24 S8 -","8","1","NK2097","Ranjith, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K.","Phenyl(3-methyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone","Acta Crystallographica Section E","2011","67","5","o1242","","10.1107/S1600536811014826","","","0.71073","MoKα","","0.0858","0.0485","","","0.1214","0.1454","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230100","23.437","0.003","6.3565","0.0008","18.416","0.002","90","","111.781","0.002","90","","2547.7","0.5","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(6<i>RS</i>,9<i>SR</i>)-6,7-Dibromo-1,2,3,4-tetrahydro-1,4-methanoanthracene","(6<i>RS</i>,9<i>SR</i>)-6,7- dibromotetracyclo[10.2.1.0^2,11^.0^4,9^]pentadeca-2,4(9),5,7,10-pentaene","","- C15 H12 Br2 -","- C15 H12 Br2 -","- C120 H96 Br16 -","8","1","NR2004","Chen, Kew-Yu; Chang, Ming-Jen; Fang, Tzu-Chien","(6<i>RS</i>,9<i>SR</i>)-6,7-Dibromo-1,2,3,4-tetrahydro-1,4-methanoanthracene","Acta Crystallographica Section E","2011","67","5","o1147","","10.1107/S1600536811013572","","","0.71073","MoKα","","0.0712","0.0551","","","0.1358","0.1439","","","","","","0.957","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230101","15.5241","0.0004","9.1644","0.0002","18.9108","0.0005","90","","93.621","0.001","90","","2685.05","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Bis(2-pyridyl-κ<i>N</i>)amine]chlorido(η^6^-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane monosolvate","","- C23 H29 Cl3 F6 N3 P Ru -","- C23 H29 Cl3 F6 N3 P Ru -","- C92 H116 Cl12 F24 N12 P4 Ru4 -","4","1","OM2411","Gupta, Gajendra; Therrien, Bruno; Kim, Jinkwon","[Bis(2-pyridyl-κ<i>N</i>)amine]chlorido(η^6^-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane solvate","Acta Crystallographica Section E","2011","67","5","m548","","10.1107/S1600536811011640","","","0.71073","MoKα","","0.0414","0.0331","","","0.082","0.0869","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230102","8.2541","0.0006","11.8988","0.0008","13.8197","0.0009","90","","90.288","0.002","90","","1357.27","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Piperazine-1,4-diium pyridine-2,3-dicarboxylate methanol monosolvate","","- C12 H19 N3 O5 -","- C12 H19 N3 O5 -","- C48 H76 N12 O20 -","4","1","OM2416","Manteghi, Faranak; Ghadermazi, Mohammad; Kakaei, Nasrin","Piperazine-1,4-diium pyridine-2,3-dicarboxylate methanol monosolvate","Acta Crystallographica Section E","2011","67","5","o1122","","10.1107/S1600536811012384","","","0.71073","MoKα","","0.0387","0.034","","","0.0817","0.0849","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230103","12.0201","0.0003","20.7463","0.0005","17.6353","0.0003","90","","132.806","0.001","90","","3226.46","0.14","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Poly[[μ-aqua-bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-3- hydroxyadamantane-1-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis(3- hydroxyadamantane-1-carboxylato-κ<i>O</i>)dicobalt(II)] heptahydrate]","","- C64 H92 Co2 N4 O20 -","- C64 H92 Co2 N4 O20 -","- C128 H184 Co4 N8 O40 -","2","1","OM2417","Shen, Jin-Bei; Wu, Xiao-Yong; Chen, Xiao-Ju; Zhao, Guo-Liang","Poly[[μ-aqua-bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-3-hydroxyadamantane-1-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis(3-hydroxyadamantane-1-carboxylato-κ<i>O</i>)dicobalt(II)] heptahydrate]","Acta Crystallographica Section E","2011","67","5","m558","m559","10.1107/S1600536811012475","","","0.71073","MoKα","","0.0426","0.0345","","","0.0779","0.0825","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230104","7.0184","0.0002","13.2654","0.0003","21.5542","0.0008","90","","90","","90","","2006.74","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","OM2419","Möller, Konstanze; Junge, Kathrin; Spannenberg, Anke; Beller, Matthias","2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine","Acta Crystallographica Section E","2011","67","5","o1181","","10.1107/S1600536811014061","","","0.71073","MoKα","","0.0412","0.0293","","","0.0517","0.0534","","","","","","0.855","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230105","9.6064","0.0003","9.7506","0.0003","24.0234","0.0008","92.559","0.002","98.681","0.002","95.516","0.002","2210.14","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate","","- C86 H148 Cu2 N4 O10 -","- C86 H148 Cu2 N4 O10 -","- C86 H148 Cu2 N4 O10 -","1","0.5","OM2420","Che Mat, Ahmad Nazeer; Abdullah, Norbani; Khaledi, Hamid; Tee, Jia Ti","Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate","Acta Crystallographica Section E","2011","67","5","m599","m600","10.1107/S1600536811013559","","","0.71073","MoKα","","0.0842","0.0497","","","0.1103","0.1267","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230106","11.213","0.003","7.1075","0.0018","12.91","0.003","90","","91.546","0.005","90","","1028.5","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 3,10-dioxa-2-azatricyclo[6.2.1.0^2,6^]undecane-4-carboxylate","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","OM2422","Moosa, Basem A.; Fazal, Atif; Ali, Shaikh A.; Fettouhi, Mohammed","Racemic methyl 3,10-dioxa-2-azatricyclo[6.2.1.0^2,6^]undecane-4-carboxylate","Acta Crystallographica Section E","2011","67","5","o1245","","10.1107/S160053681101484X","","","0.71073","MoKα","","0.1014","0.0568","","","0.1305","0.1547","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230107","14.7204","0.0014","9.9772","0.0012","14.7357","0.0015","90","","119.716","0.011","90","","1879.6","0.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-hydroxy-6-(4-hydroxyphenyl)-4-trifluoromethyl-2-sulfanylidene- 1,3-diazinane-5-carboxylate ethanol monosolvate","","- C16 H21 F3 N2 O5 S -","- C16 H21 F3 N2 O5 S -","- C64 H84 F12 N8 O20 S4 -","4","1","OM2424","Yang, Feng-Ling; Fa, Wen-Jun","Ethyl 4-hydroxy-6-(4-hydroxyphenyl)-4-trifluoromethyl-2-sulfanylidene-1,3-diazinane-5-carboxylate ethanol monosolvate","Acta Crystallographica Section E","2011","67","5","o1280","o1281","10.1107/S1600536811015376","","","0.71073","MoKα","","0.0427","0.0363","","","0.089","0.0923","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230108","9.0037","0.0009","9.78","0.0009","12.1428","0.0012","104.575","0.008","103.345","0.008","108.227","0.008","925.52","0.18","140","","140","","","","","","","","","4","P -1","-P 1","2","","1-(Thiophen-2-yl)ethanone thiosemicarbazone","","- C7 H9 N3 S2 -","- C7 H9 N3 S2 -","- C28 H36 N12 S8 -","4","2","PB2061","Gaye, Papa Aly; Sy, Adama; Sarr, Aminata Diassé; Gaye, Mohamed; Besnard, Celine","1-(Thiophen-2-yl)ethanone thiosemicarbazone","Acta Crystallographica Section E","2011","67","5","o1168","","10.1107/S1600536811011986","","","0.71073","MoKα","","0.0434","0.0343","","0.0527","0.0502","0.0527","","","","","","0.9988","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2230109","23.318","0.009","10.23","0.002","13.901","0.003","90","","125.5","0.03","90","","2699.6","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-4-(2-methylbenzamido)benzoic acid","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","PK2306","He, Fei-Fei; Shi, Ya-Bin; Xia, Song; Wang, Hai-Bo","2-Methyl-4-(2-methylbenzamido)benzoic acid","Acta Crystallographica Section E","2011","67","5","o1050","","10.1107/S160053681101110X","","","0.71073","MoKα","","0.0811","0.0467","","","0.1186","0.1384","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230110","4.895","0.0014","7.847","0.002","8.388","0.002","69.472","0.005","89.764","0.006","75.501","0.005","290.88","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Lithium Copper Iron Phosphate","Pentalithium dicopper iron tetraphosphate","","- Cu2.1 Fe1.15 Li4.59 O16 P4 -","- Cu2.102 Fe1.152 Li4.586 O16 P4 -","- Cu2.102 Fe1.152 Li4.586 O16 P4 -","1","0.5","PK2312","Upreti, Shailesh; Yakubovich, Olga V.; Chernova, Natasha A.; Whittingham, M. Stanley","A novel lithium copper iron phosphate with idealized formula Li~5~Cu~2~^2+^Fe^3+^(PO~4~)~4~: crystal structure and distribution of defects","Acta Crystallographica Section E","2011","67","5","i29","","10.1107/S1600536811011755","","","0.71073","MoKα","","0.0324","0.031","","","0.0852","0.0862","","","","","","1.198","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230111","7.2117","0.0007","19.6502","0.0003","12.6186","0.0009","90","","90.016","0.009","90","","1788.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-3-methoxybenzoato- κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[acetonitrilecopper(II)]","","- C36 H34 Cu2 N2 O12 -","- C36 H34 Cu2 N2 O12 -","- C72 H68 Cu4 N4 O24 -","2","0.5","PK2314","Kar, Sanjib; Garai, Antara; Bala, Sukhen; Purohit, Chandra Shekhar","Tetrakis(μ-3-methoxybenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[acetonitrilecopper(II)]","Acta Crystallographica Section E","2011","67","5","m557","","10.1107/S1600536811012074","","","0.71073","MoKα","","0.0591","0.0344","","","0.0883","0.1008","","","","","","1.014","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230112","30.945","0.007","8.0964","0.0018","16.032","0.003","90","","94.711","0.005","90","","4003.1","1.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-[4,4'-Sulfonylbis(<i>p</i>-phenyleneoxy)]dibutanoic acid","","- C20 H22 O8 S -","- C20 H22 O8 S -","- C160 H176 O64 S8 -","8","1","PK2315","Fu, Chun-Yan; Liu, Yong-Hui; Zhou, Zhong-Liu; Tang, Hong","4,4'-[4,4'-Sulfonylbis(<i>p</i>-phenyleneoxy)]dibutanoic acid","Acta Crystallographica Section E","2011","67","5","o1048","","10.1107/S1600536811011871","","","0.71073","MoKα","","0.0771","0.0452","","","0.118","0.1385","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230113","8.3927","0.0007","12.1388","0.0014","8.586","0.0009","90","","97.045","0.001","90","","868.11","0.15","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Bis(2-ethyl-5-methyl-1<i>H</i>-imidazole)-4,4'-methanediyl Co(II)chloride monohydrate","Dichlorido[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl- κ<i>N</i>^3^)methane]cobalt(II) monohydrate","","- C13 H22 Cl2 Co N4 O -","- C13 H22 Cl2 Co N4 O -","- C26 H44 Cl4 Co2 N8 O2 -","2","0.5","PV2382","Qian, Xiao-Min; Luo, Yang-Hui; Li, Jin-Feng; Mao, Shu-Lin; Gao, Ge","Dichlorido[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)methane]cobalt(II) monohydrate","Acta Crystallographica Section E","2011","67","5","m575","","10.1107/S1600536811011032","","","0.71073","MoKα","","0.0649","0.0404","","","0.0976","0.1143","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230114","5.979","0.0012","18.396","0.004","16.801","0.003","90","","98.83","0.03","90","","1826","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis[2-bromo-4-(2-hydroxyethyl)phenol] monohydrate","","- C16 H20 Br2 O5 -","- C16 H20 Br2 O5 -","- C64 H80 Br8 O20 -","4","1","PV2391","Zhu, Jing; Yang, Wen-ge; Wang, Lu-lu; Wang, Kai; Hu, Yong-hong","Bis[2-bromo-4-(2-hydroxyethyl)phenol] monohydrate","Acta Crystallographica Section E","2011","67","5","o1109","","10.1107/S160053681101066X","","","0.71073","MoKα","","0.077","0.0446","","","0.0881","0.0954","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230115","6.7892","0.0006","10.1823","0.0009","24.267","0.002","90","","92.901","0.001","90","","1675.4","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4,6-Dimethylpyrimidin-2-yl)-3-(3,5-dinitrobenzoyl)thiourea monohydrate","","- C14 H14 N6 O6 S -","- C14 H14 N6 O6 S -","- C56 H56 N24 O24 S4 -","4","1","PV2402","Saeed, Sohail; Rashid, Naghmana; Wong, Wing-Tak; Hussain, Rizwan","1-(4,6-Dimethylpyrimidin-2-yl)-3-(3,5-dinitrobenzoyl)thiourea monohydrate","Acta Crystallographica Section E","2011","67","5","o1094","","10.1107/S1600536811012323","","","0.71073","MoKα","","0.0444","0.0375","","","0.0996","0.1045","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230116","10.312","0.002","11.243","0.002","21.283","0.004","79.565","0.003","88.961","0.003","85.125","0.003","2417.9","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,6-bis(trifluoromethyl)benzoic acid","2,6-Bis(trifluoromethyl)benzoic acid","","- C9 H4 F6 O2 -","- C9 H4 F6 O2 -","- C90 H40 F60 O20 -","10","5","PV2403","Giffin, Nick A.; Hendsbee, Arthur D.; Masuda, Jason D.","A new polymorph of 2,6-bis(trifluoromethyl)benzoic acid","Acta Crystallographica Section E","2011","67","5","o1054","","10.1107/S1600536811011731","","","0.71073","MoKα","","0.0954","0.0482","","","0.1171","0.1511","","","","","","0.852","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230117","8.2524","0.0006","13.5905","0.001","13.8117","0.001","62.5191","0.0008","75.409","0.0009","85.993","0.0009","1327.99","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Tosyl-2-[(1-tosyl-1<i>H</i>-benzimidazol-2-yl)methylsulfanyl]-1<i>H</i>- benzimidazole","","- C29 H24 N4 O4 S3 -","- C29 H24 N4 O4 S3 -","- C58 H48 N8 O8 S6 -","2","1","PV2404","N. Al-Mohammed, Nassir; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","1-Tosyl-2-[(1-tosyl-1<i>H</i>-benzimidazol-2-yl)methylsulfanyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2011","67","5","o1043","","10.1107/S1600536811011822","","","0.71073","MoKα","","0.0422","0.0387","","","0.1113","0.1171","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230118","7.8409","0.0008","7.92","0.0009","13.8961","0.0014","85.038","0.002","82.773","0.001","65.894","0.001","780.84","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(2,3-Dimethoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine","","- C15 H14 N4 O6 -","- C15 H14 N4 O6 -","- C30 H28 N8 O12 -","2","1","PV2405","Xin, Xianrong; Li, Min; Chen, Zhimin; Zhu, Ruitao","1-(2,3-Dimethoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2011","67","5","o1169","","10.1107/S1600536811013894","","","0.71073","MoKα","","0.097","0.0633","","","0.1545","0.1775","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230119","12.575","0.0013","16.4137","0.0019","14.108","0.0015","90","","113.988","0.002","90","","2660.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylato-5-chlorophenyl)-<i>N</i>'- [3-(dimethylamino)propyl]oxamidato(3-)}bis(perchlorato- κ<i>O</i>)bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylethylenediamine)tetracopper(II)","","- C40 H62 Cl4 Cu4 N10 O16 -","- C40 H62 Cl4 Cu4 N10 O16 -","- C80 H124 Cl8 Cu8 N20 O32 -","2","0.5","PV2408","Sun, Yanlong; Xu, Xuelian","Bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylato-5-chlorophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}bis(perchlorato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)tetracopper(II)","Acta Crystallographica Section E","2011","67","5","m645","m646","10.1107/S1600536811014978","","","0.71073","MoKα","","0.0734","0.0444","","","0.1095","0.1326","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230120","10.515","0.0003","10.515","0.0003","19.8142","0.0008","90","","90","","90","","2190.76","0.13","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","1,3-Bis(3-phenylpropyl)-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-selone","","- C25 H26 N2 Se -","- C25 H26 N2 Se -","- C100 H104 N8 Se4 -","4","0.5","QM2004","Akkurt, Mehmet; Yılmaz, Ülkü; Küçükbay, Hasan; Büyükgüngör, Orhan","1,3-Bis(3-phenylpropyl)-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-selone","Acta Crystallographica Section E","2011","67","5","o1179","","10.1107/S1600536811013985","","","0.71073","MoKα","","0.0397","0.0317","","","0.0641","0.0664","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230121","7.384","0.0015","11.749","0.002","13.107","0.003","84.18","0.03","76.18","0.03","79.04","0.03","1082.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Diferrocenyl(methyl)phenylsilane","","- C27 H26 Fe2 Si -","- C27 H26 Fe2 Si -","- C54 H52 Fe4 Si2 -","2","1","QM2006","Liu, Yu-Peng; Li, Zong-Qi; Tan, Yong-Xia; Zhang, Zhi-Jie","Diferrocenyl(methyl)phenylsilane","Acta Crystallographica Section E","2011","67","5","m635","","10.1107/S1600536811014917","","","0.71073","MoKα","","0.0557","0.05","","","0.1304","0.134","","","","","","1.131","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2230122","10.844","0.005","18.594","0.009","9.602","0.005","90","","102.76","0.006","90","","1888.3","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,4-Bis(4-bromophenyl)-<i>N</i>-phenylmaleimide","3,4-bis(4-bromophenyl)-1-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione","","- C22 H13 Br2 N O2 -","- C22 H13 Br2 N O2 -","- C88 H52 Br8 N4 O8 -","4","1","RK2272","Liu, Yong; Zheng, Shuai; Zhou, Jing; Gao, Dongmei; Du, Zhen-Ting","3,4-Bis(4-bromophenyl)-<i>N</i>-phenylmaleimide","Acta Crystallographica Section E","2011","67","5","o1198","","10.1107/S1600536811014152","","","0.71073","MoKα","","0.1744","0.0504","","","0.0988","0.1333","","","","","","0.942","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230123","12.3268","0.0006","11.0271","0.0006","13.1142","0.0007","90","","106.933","0.001","90","","1705.32","0.15","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>E</i>,25<i>E</i>)-11,14,17,33,36,39,42- Heptaoxapentacyclo[41.4.0.0^5,10^.0^18,23^.0^27,32^]heptatetraconta- 1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione","","- C40 H40 O9 -","- C40 H40 O9 -","- C80 H80 O18 -","2","1","RK2273","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Soldatova, Svetlana A.; Khrustalev, Victor N.","(2<i>E</i>,25<i>E</i>)-11,14,17,33,36,39,42-Heptaoxapentacyclo[41.4.0.0^5,10^.0^18,23^.0^27,32^]heptatetraconta-1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione","Acta Crystallographica Section E","2011","67","5","o1128","o1129","10.1107/S1600536811013201","","","0.71073","MoKα","","0.0601","0.0508","","","0.12","0.1278","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230124","11.3591","0.0002","11.3591","0.0002","14.5172","0.0004","90","","90","","120","","1622.19","0.06","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide","","- C12 H24 Br2 N6 S3 Zn -","- C12 H24 Br2 N6 S3 Zn -","- C36 H72 Br6 N18 S9 Zn3 -","3","0.333333","RN2081","Sun, Hai-Qing; Wang, Xin-Qiang; Jin, Tao","Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide","Acta Crystallographica Section E","2011","67","5","m543","","10.1107/S1600536811011809","","","0.71073","MoKα","","0.02","0.0189","","","0.0441","0.0445","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230125","5.426","0.0005","7.4981","0.0006","24.376","0.002","90","","93.557","0.001","90","","989.82","0.15","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pentadecylammonium methyl sulfate","","- C16 H37 N O4 S -","- C16 H37 N O4 S -","- C32 H74 N2 O8 S2 -","2","0.5","RU2002","Zhang, Lijun; Di, Youying; Dan, Wenyan","Pentadecylammonium methyl sulfate","Acta Crystallographica Section E","2011","67","5","o1051","","10.1107/S1600536811011226","","","0.71073","MoKα","","0.1272","0.0742","","","0.2054","0.2281","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230126","8.978","0.0002","13.2864","0.0003","18.397","0.0004","90","","90.935","0.001","90","","2194.2","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethylenediammonium yttrium squarate tetrahydrate","<i>catena</i>-poly[sesqui(ethylenediammonium) [[tetraaquabis(squarato-κ<i>O</i>)yttrium(III)]-μ-squarato- κ^2^<i>O</i>:<i>O</i>']]","","- C30 H46 N6 O32 Y2 -","- C30 H46 N6 O32 Y2 -","- C60 H92 N12 O64 Y4 -","2","0.5","RU2003","Zenkhri, Louiza; Audebrand, Nathalie; Bataille, Thierry","Yttrium ethylenediammonium squarate tetrahydrate","Acta Crystallographica Section E","2011","67","5","m529","m530","10.1107/S1600536811011251","","","0.71073","MoKα","","0.0579","0.0408","","","0.0929","0.1028","","","","","","1.096","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2230127","9.4868","0.0005","15.3912","0.0008","8.9756","0.0004","90","","91.672","0.002","90","","1310","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(thiophen-2-yl)ethylidene]hydrazine","","- C12 H10 N4 O4 S -","- C12 H10 N4 O4 S -","- C48 H40 N16 O16 S4 -","4","1","RZ2573","Fun, Hoong-Kun; Jansrisewangwong, Patcharaporn; Chantrapromma, Suchada","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(thiophen-2-yl)ethylidene]hydrazine","Acta Crystallographica Section E","2011","67","5","o1034","o1035","10.1107/S1600536811011135","","","0.71073","MoKα","","0.0457","0.0405","","","0.1052","0.1087","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230128","11.3875","0.0005","11.4582","0.0005","13.4885","0.0006","90","","109.752","0.001","90","","1656.43","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","1,1'-Bis(4-fluorophenyl)-3,3'-diisobutyl-4,4'-diphenoxy-1<i>H</i>,1'<i>H</i>-4,4'-bipyrazole-5,5'(4<i>H</i>,4'<i>H</i>)-dione","","- C38 H36 F2 N4 O4 -","- C38 H36 F2 N4 O4 -","- C76 H72 F4 N8 O8 -","2","1","RZ2574","Fun, Hoong-Kun; Hemamalini, Madhukar; Venkat Ragavan, R.; Vijayakumar, V.; Venkatesh, M.","1,1'-Bis(4-fluorophenyl)-3,3'-diisobutyl-4,4'-diphenoxy-1<i>H</i>,1'<i>H</i>-4,4'-bipyrazole-5,5'(4<i>H</i>,4'<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","5","o1036","","10.1107/S1600536811011664","","","0.71073","MoKα","","0.0393","0.036","","","0.0935","0.0966","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230129","7.8225","0.0002","8.9426","0.0002","27.1317","0.0006","90","","100.679","0.001","90","","1865.09","0.08","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-3-[(4-hydroxy-2-oxo-2<i>H</i>-3-chromenyl)(3-thienyl)methyl]-2<i>H</i>-chromen-2-one","","- C23 H14 O6 S -","- C23 H14 O6 S -","- C92 H56 O24 S4 -","4","1","RZ2575","Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","4-Hydroxy-3-[(4-hydroxy-2-oxo-2<i>H</i>-3-chromenyl)(3-thienyl)methyl]-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","5","o1037","o1038","10.1107/S1600536811011676","","","0.71073","MoKα","","0.0781","0.0439","","","0.0912","0.106","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230130","12.186","0.002","5.6516","0.0011","22.16","0.004","90","","104.47","0.03","90","","1477.8","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(<i>N</i>-Phenylmethanesulfonamido)ethyl 1<i>H</i>-pyrrole-2-carboxylate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C56 H64 N8 O16 S4 -","4","1","RZ2576","Khan, Salman Tariq; Yu, Peng; Nelofar, Aisha; Ahmed, Zaheer; Chantrapromma, Suchada","2-(<i>N</i>-Phenylmethanesulfonamido)ethyl 1<i>H</i>-pyrrole-2-carboxylate","Acta Crystallographica Section E","2011","67","5","o1125","o1126","10.1107/S160053681101261X","","","0.71073","MoKα","","0.0787","0.0594","","","0.1379","0.1518","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230131","8.2052","0.0016","9.856","0.002","10.196","0.002","64.71","0.03","83.78","0.03","82.88","0.03","738.4","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","Bis(4-ethoxyphenyl) sulfoxide","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","RZ2577","Meng, Kang; Wu, Cheng; Cao, Jing; Ma, Ping; Liu, Lihong","Bis(4-ethoxyphenyl) sulfoxide","Acta Crystallographica Section E","2011","67","5","o1136","","10.1107/S1600536811013213","","","0.71073","MoKα","","0.0458","0.034","","","0.0908","0.095","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230132","14.79","0.003","10.432","0.002","13.155","0.003","90","","103.84","0.03","90","","1970.7","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(5-Chloronaphthalene-1-sulfonamido)-2-(2-hydroxyethyl)-4,5,6,7-tetrahydro- 2<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridin-5-ium chloride","","- C18 H20 Cl2 N4 O3 S -","- C18 H20 Cl2 N4 O3 S -","- C72 H80 Cl8 N16 O12 S4 -","4","1","RZ2578","Bai, Xiao-Guang; Liu, Hong-Tao; Wang, Yu-Cheng; Wang, Ju-Xian","3-(5-Chloronaphthalene-1-sulfonamido)-2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-2<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridin-5-ium chloride","Acta Crystallographica Section E","2011","67","5","o1103","","10.1107/S1600536811012967","","","0.71073","MoKα","","0.0521","0.041","","","0.0926","0.0974","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230133","5.7422","0.0006","9.8022","0.001","25.504","0.003","90","","90","","90","","1435.5","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(4-Aminophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","RZ2579","Kobkeatthawin, Thawanrat; Chantrapromma, Suchada; Saewan, Nisakorn; Fun, Hoong-Kun","(<i>E</i>)-1-(4-Aminophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","5","o1204","o1205","10.1107/S1600536811014024","","","0.71073","MoKα","","0.0711","0.0571","","","0.1139","0.1193","","","","","","1.144","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230134","10.772","0.003","12.18","0.004","12.986","0.004","70.845","0.005","65.875","0.004","85.821","0.005","1465.2","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-<i>tert</i>-Butyl 1-ethyl 3-amino-1,4,5,6-tetrahydropyrrolo[3,4-<i>c</i>]pyrazole-1,5-dicarboxylate","","- C13 H20 N4 O4 -","- C13 H20 N4 O4 -","- C52 H80 N16 O16 -","4","2","RZ2580","Xia, Wen-Bin; Bai, Xiao-Guang; Liu, Hong-Tao; Wang, Ju-Xian","5-<i>tert</i>-Butyl 1-ethyl 3-amino-1,4,5,6-tetrahydropyrrolo[3,4-<i>c</i>]pyrazole-1,5-dicarboxylate","Acta Crystallographica Section E","2011","67","5","o1150","","10.1107/S1600536811013444","","","0.71073","MoKα","","0.0655","0.0473","","","0.1164","0.1281","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230135","7.2322","0.0002","22.7311","0.0006","12.9299","0.0003","90","","114.426","0.001","90","","1935.37","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>- 1,3,4-thiadiazin-5-yl}-3-(4-methoxyphenyl)sydnone","4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>- 1,3,4-thiadiazin-5-yl}-3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate","","- C19 H15 Cl N6 O3 S -","- C19 H15 Cl N6 O3 S -","- C76 H60 Cl4 N24 O12 S4 -","4","1","RZ2581","Fun, Hoong-Kun; Loh, Wan-Sin; Nithinchandra; Kalluraya, Balakrishna","4-{2-[2-(4-Chlorobenzylidene)hydrazinylidene]-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin-5-yl}-3-(4-methoxyphenyl)sydnone","Acta Crystallographica Section E","2011","67","5","o1175","o1176","10.1107/S1600536811013900","","","0.71073","MoKα","","0.0379","0.031","","","0.0838","0.0881","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230136","14.875","0.004","13.908","0.003","8.088","0.002","90","","90.11","0.02","90","","1673.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide monohydrate","<i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)butanediamide monohydrate","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","1","RZ2582","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide monohydrate","Acta Crystallographica Section E","2011","67","5","o1223","","10.1107/S1600536811014942","","","0.71073","MoKα","","0.2231","0.1154","","","0.2385","0.2853","","","","","","1.144","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230137","4.4403","0.0003","11.4686","0.0008","31.2763","0.0019","90","","90","","90","","1592.72","0.18","100.01","0.01","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2-{2-[2-(2-Nitro-1<i>H</i>-imidazol-1-yl)ethoxy]ethoxy}ethoxy)benzaldehyde","","- C16 H19 N3 O6 -","- C16 H19 N3 O6 -","- C64 H76 N12 O24 -","4","1","RZ2583","Li, Shu-Xian; Zhang, Da-Hai; Fun, Hoong-Kun; Hemamalini, Madhukar","4-(2-{2-[2-(2-Nitro-1<i>H</i>-imidazol-1-yl)ethoxy]ethoxy}ethoxy)benzaldehyde","Acta Crystallographica Section E","2011","67","5","o1206","","10.1107/S1600536811014322","","","0.71073","MoKα","","0.0625","0.0474","","","0.089","0.0937","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230138","8.42828","0.00015","12.5953","0.0002","20.0578","0.0004","96.222","0.001","99.688","0.001","102.727","0.001","2023.77","0.06","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","(5-Benzoyl-3,6-dimethoxynaphthalen-2-yl)(phenyl)methanone","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","2","RZ2585","Kato, Yuichi; Nagasawa, Atsushi; Sasagawa, Kosuke; Okamoto, Akiko; Yonezawa, Noriyuki","(5-Benzoyl-3,6-dimethoxynaphthalen-2-yl)(phenyl)methanone","Acta Crystallographica Section E","2011","67","5","o1250","","10.1107/S160053681101508X","","","1.54187","CuKα","","0.0472","0.0393","","","0.1061","0.115","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230139","9.1426","0.0005","14.3459","0.0008","16.6637","0.0009","108.348","0.001","102.695","0.001","103.649","0.001","1910.71","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","(3<i>E</i>,5<i>E</i>)-1-Acryloyl-3,5-bis(2-chlorobenzylidene)piperidin-4-one","","- C22 H17 Cl2 N O2 -","- C22 H17 Cl2 N O2 -","- C88 H68 Cl8 N4 O8 -","4","2","RZ2586","Basiri, Alireza; Murugaiyah, Vikneswaran; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun","(3<i>E</i>,5<i>E</i>)-1-Acryloyl-3,5-bis(2-chlorobenzylidene)piperidin-4-one","Acta Crystallographica Section E","2011","67","5","o1228","o1229","10.1107/S1600536811015042","","","0.71073","MoKα","","0.0583","0.0456","","","0.1204","0.1321","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230140","15.555","0.003","18.983","0.003","14.725","0.003","90","","113.959","0.003","90","","3973.4","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Tetraaquabis[1,3-bis(4-pyridyl)propane-κ<i>N</i>]cobalt(II) biphenyl-4,4'-disulfonate monohydrate","","- C38 H46 Co N4 O11 S2 -","- C38 H46 Co N4 O11 S2 -","- C152 H184 Co4 N16 O44 S8 -","4","0.5","RZ2587","Liu, Guang-Xiang; Xu, Xu-Yong","<i>trans</i>-Tetraaquabis[1,3-bis(4-pyridyl)propane-κ<i>N</i>]cobalt(II) biphenyl-4,4'-disulfonate monohydrate","Acta Crystallographica Section E","2011","67","5","m651","m652","10.1107/S1600536811015819","","","0.71073","MoKα","","0.0658","0.0535","","","0.1261","0.1325","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230141","10.8654","0.0002","11.061","0.0002","19.1778","0.0003","90","","90.8483","0.001","90","","2304.58","0.07","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(acetonitrile)~1~:lithium bis(trifluoromethanesulfonyl)imide","Poly[bis(acetonitrile-κ<i>N</i>)bis[μ~3~- bis(trifluoromethanesulfonyl)imido-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'': <i>O</i>''']dilithium]","","- C8 H6 F12 Li2 N4 O8 S4 -","- C8 H6 F12 Li2 N4 O8 S4 -","- C32 H24 F48 Li8 N16 O32 S16 -","4","1","SI2342","Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A.","Poly[bis(acetonitrile-κ<i>N</i>)bis[μ~3~-bis(trifluoromethanesulfonyl)imido-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''']dilithium]","Acta Crystallographica Section E","2011","67","5","m534","","10.1107/S1600536811011561","","","1.54178","CuKα","","0.0459","0.0409","","","0.1043","0.1076","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230142","7.466","0.0015","8.63","0.0017","9.342","0.0019","97.71","0.03","95.63","0.03","92.61","0.03","592.5","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","2-Quinolin-2-yl-phenolic borodifluoridate","Difluoro[2-(quinolin-2-yl)phenolato]borane","","- C15 H10 B F2 N O -","- C15 H10 B F2 N O -","- C30 H20 B2 F4 N2 O2 -","2","1","SI2346","Yang, Xi; Xia, Min","Difluoro[2-(quinolin-2-yl)phenolato]borane","Acta Crystallographica Section E","2011","67","5","o1049","","10.1107/S1600536811011895","","","0.71073","MoKa","","0.0756","0.0401","","","0.1009","0.1265","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230143","7.4623","0.0013","24.664","0.003","11.1997","0.0016","90","","91.769","0.013","90","","2060.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-phenylethylammonium) tetrachloridocobaltate(II)","","- C16 H24 Cl4 Co N2 -","- C16 H24 Cl4 Co N2 -","- C64 H96 Cl16 Co4 N8 -","4","1","SI2347","Oh, In-Hwan; Kim, Dahye; Huh, Young-Duk; Park, Younbong; Park, J. M. Sungil; Park, Seong-Hun","Bis(2-phenylethylammonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2011","67","5","m522","m523","10.1107/S1600536811011603","","","0.71073","MoKα","","0.1348","0.0549","","","0.1171","0.1609","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230144","13.9005","0.0004","5.8917","0.0001","19.9627","0.0005","90","","106.01","0.0013","90","","1571.48","0.07","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Lithium difluoro(oxalato)borate tetramethylene sulfone disolvate","","- C20 H32 B2 F4 Li2 O16 S4 -","- C20 H32 B2 F4 Li2 O16 S4 -","- C40 H64 B4 F8 Li4 O32 S8 -","2","0.5","SI2348","Allen, Joshua L.; Boyle, Paul D.; Henderson, Wesley A.","Lithium difluoro(oxalato)borate tetramethylene sulfone disolvate","Acta Crystallographica Section E","2011","67","5","m533","","10.1107/S1600536811011743","","","0.71073","MoKα","","0.0829","0.0443","","","0.0963","0.1126","","","","","","1.02","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2230145","23.6135","0.0012","7.8465","0.0003","16.8693","0.0009","90","","130.44","0.004","90","","2378.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cyclo</i>-Tetrakis(μ~2~-3-sulfidopropyl- κ^3^<i>C</i>^1^,<i>S</i>:<i>S</i>)tetrakis[chloridocobalt(III)]","","- C12 H24 Cl4 Co4 S4 -","- C12 H24 Cl4 Co4 S4 -","- C48 H96 Cl16 Co16 S16 -","4","0.5","SI2349","Awan, Shafique Ahmad; Tahir, M. Nawaz; Muhammad, Iram Khushi; Ahmad, Saeed; Tariq, Muhammad Ilyas","<i>cyclo</i>-Tetrakis(μ~2~-3-sulfidopropyl-κ^3^<i>C</i>^1^,<i>S</i>:<i>S</i>)tetrakis[chloridocobalt(III)]","Acta Crystallographica Section E","2011","67","5","m576","m577","10.1107/S1600536811013067","","","0.71073","MoKα","","0.0518","0.0413","","","0.1143","0.1245","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230146","6.24","0.0012","10.611","0.002","17.189","0.003","90","","100.35","0.03","90","","1119.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 4-(3-chloropropoxy)benzoate","","- C11 H13 Cl O3 -","- C11 H13 Cl O3 -","- C44 H52 Cl4 O12 -","4","1","SJ5116","Shi, Ya-Bin; Liu, Ke-Ke; Xia, Song; He, Fei-Fei; Wang, Hai-Bo","Methyl 4-(3-chloropropoxy)benzoate","Acta Crystallographica Section E","2011","67","5","o1052","","10.1107/S1600536811011093","","","0.71073","MoKα","","0.0688","0.0442","","","0.1156","0.1321","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230147","12.3481","0.0003","18.1697","0.0004","21.5295","0.0005","93.494","0.001","103.23","0.001","90.383","0.001","4692.39","0.19","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","[μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-(triisopropyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0)","","- C43 H43 As2 O12 P Ru3 -","- C43 H43 As2 O12 P Ru3 -","- C172 H172 As8 O48 P4 Ru12 -","4","2","SJ5121","bin Shawkataly, Omar; Alam, Mohd. Gulfam; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-(triisopropyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2011","67","5","m545","m546","10.1107/S1600536811012050","","","0.71073","MoKα","","0.032","0.0239","","","0.0517","0.0545","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230148","27.516","0.003","7.0091","0.0008","20.778","0.003","90","","104.38","0.003","90","","3881.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-(4-Fluorobenzylamino)-2-phenyl-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5- amine methanol disolvate","","- C19 H22 F N7 O2 -","- C19 H22 F N7 O2 -","- C152 H176 F8 N56 O16 -","8","1","SJ5125","Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung","7-(4-Fluorobenzylamino)-2-phenyl-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5-amine methanol disolvate","Acta Crystallographica Section E","2011","67","5","o1183","o1184","10.1107/S1600536811014176","","","0.71073","MoKα","","0.112","0.0835","","","0.1707","0.1826","","","","","","1.199","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230149","12.1717","0.0001","19.8544","0.0001","10.517","0.0001","90","","112.018","0.001","90","","2356.19","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-3-azaniumylbenzoato)-κ^3^<i>O</i>:<i>O</i>,<i>O</i>'; κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^4^<i>O</i>:<i>O</i>'- bis[tetraaquaneodymium(III)] hexachloride tetrahydrate","","- C28 H52 Cl6 N4 Nd2 O20 -","- C28 H48 Cl6 N4 Nd2 O20 -","- C56 H96 Cl12 N8 Nd4 O40 -","2","0.5","SU2265","Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude","Tetrakis(μ-3-azaniumylbenzoato)-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^4^<i>O</i>:<i>O</i>'-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate","Acta Crystallographica Section E","2011","67","5","m584","m585","10.1107/S1600536811012700","","","0.71073","MoKα","","0.0891","0.0405","","","0.0835","0.0961","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230150","6.0863","0.0002","20.0855","0.0007","17.3819","0.0007","90","","97.419","0.004","90","","2107.09","0.13","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenoxy)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)azetidin-2-one","","- C22 H17 Cl N2 O5 -","- C22 H17 Cl N2 O5 -","- C88 H68 Cl4 N8 O20 -","4","1","SU2266","Butcher, Ray J.; Akkurt, Mehmet; Jarrahpour, Aliasghar; Badrabady, Seid Ali Torabi","3-(4-Chlorophenoxy)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)azetidin-2-one","Acta Crystallographica Section E","2011","67","5","o1101","o1102","10.1107/S1600536811013018","","","0.71073","MoKα","","0.1088","0.0743","","","0.1723","0.1903","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230151","6.7605","0.0008","7.2626","0.0011","28.461","0.002","90","","96.083","0.001","90","","1389.5","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(22<i>E</i>,24<i>R</i>)-3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one monohydrate","","- C28 H46 O5 -","- C28 H46 O5 -","- C56 H92 O10 -","2","1","SU2267","Xu, Zhi-Hong; Peng, Xiao-Ping; Wang, Yi; Zhu, Wei-Ming","(22<i>E</i>,24<i>R</i>)-3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one monohydrate","Acta Crystallographica Section E","2011","67","5","o1141","o1142","10.1107/S160053681101347X","","","0.71073","MoKα","","0.0894","0.0512","","","0.0992","0.1077","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230152","8.4292","0.0002","11.9399","0.0003","18.1716","0.0004","90","","98.685","0.003","90","","1807.89","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4- ethylbenzoato-κ<i>O</i>)cobalt(II)","","- C38 H50 Co N4 O8 -","- C38 H50 Co N4 O8 -","- C76 H100 Co2 N8 O16 -","2","1","SU2268","Necefoğlu, Hacali; Maracı, Ali; Özbek, Füreya Elif; Tercan, Barış; Hökelek, Tuncer","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4-ethylbenzoato-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2011","67","5","m619","m620","10.1107/S1600536811014188","","","0.71073","MoKα","","0.0622","0.0444","","","0.0888","0.0946","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230153","5.7621","0.0009","15.25","0.003","16.64","0.003","90","","105.023","0.005","90","","1412.2","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Bis(2-pyridyl)-5-(3-pyridyl)-4<i>H</i>-1,2,4-triazole","","- C17 H12 N6 -","- C17 H12 N6 -","- C68 H48 N24 -","4","1","SU2269","Wu, Jing-Min; Guo, Wei; Li, Cheng-Peng","3,4-Bis(2-pyridyl)-5-(3-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2011","67","5","o1189","","10.1107/S1600536811014140","","","0.71073","MoKα","","0.112","0.0499","","","0.1044","0.1289","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230154","11.4851","0.0004","11.3194","0.0004","13.06","0.0004","90","","101.475","0.002","90","","1663.92","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorophenylsulfonyl)-5-isopropyl-2-methyl-1-benzofuran","","- C18 H17 Cl O3 S -","- C18 H17 Cl O3 S -","- C72 H68 Cl4 O12 S4 -","4","1","SU2271","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Chlorophenylsulfonyl)-5-isopropyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","5","o1226","","10.1107/S1600536811014784","","","0.71073","MoKα","","0.0501","0.0434","","","0.1154","0.1203","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230155","11.0527","0.0003","11.687","0.0003","12.2752","0.0003","102.104","0.002","93.012","0.002","95.929","0.002","1537.58","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Diethyl-4-[9-methoxy-6-(4-methoxyphenyl)-5-methyl-2-phenyl- 2<i>H</i>-benzo[<i>h</i>]chromene-2-yl]aniline","","- C38 H37 N O3 -","- C38 H37 N O3 -","- C76 H74 N2 O6 -","2","1","TK2732","Kim, Moon-Hwan; Park, Hee-Moon; Kim, Chong-Hyeak","<i>N</i>,<i>N</i>-Diethyl-4-[9-methoxy-6-(4-methoxyphenyl)-5-methyl-2-phenyl-2<i>H</i>-benzo[<i>h</i>]chromen-2-yl]aniline","Acta Crystallographica Section E","2011","67","5","o1067","o1068","10.1107/S1600536811011925","","","0.71073","MoKα","","0.2359","0.064","","","0.1252","0.1806","","","","","","0.915","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230156","7.3672","0.0009","8.8534","0.0011","16.0632","0.0019","90","","90","","90","","1047.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-[5-Methyl-3-(3-methylthiophen-2-yl)-4,5-dihydroisoxazol-5-yl]methanol","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","TK2733","Ko, Young Kwan; Ryu, Jae Wook; Koo, Dong Wan; Woo, Jae Choon; Kim, Chong-Hyeak","(<i>S</i>)-[5-Methyl-3-(3-methylthiophen-2-yl)-4,5-dihydroisoxazol-5-yl]methanol","Acta Crystallographica Section E","2011","67","5","o1040","","10.1107/S1600536811011639","","","0.71073","MoKα","","0.0593","0.0466","","","0.1385","0.1489","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230157","14.0759","0.0006","7.7487","0.0003","14.2306","0.0005","90","","98.978","0.002","90","","1533.11","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>OC</i>-6-35)-(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dimethyl(3- sulfidopropionato-κ^2^<i>S</i>,<i>O</i>)platinum(IV)","","- C15 H18 N2 O2 Pt S -","- C15 H18 N2 O2 Pt S -","- C60 H72 N8 O8 Pt4 S4 -","4","1","TK2735","McCready, Matthew S.; Puddephatt, Richard J.","(<i>OC</i>-6-35)-(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dimethyl(3-sulfidopropionato-κ^2^<i>S</i>,<i>O</i>)platinum(IV)","Acta Crystallographica Section E","2011","67","5","m604","m605","10.1107/S1600536811013626","","","0.71073","MoKα","","0.0403","0.0262","","","0.0447","0.0485","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230158","7.9804","0.0005","7.9804","0.0005","16.749","0.001","90","","90","","90","","1066.69","0.11","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","<i>N</i>-(2-Methylphenylsulfonyl)acetamide","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C36 H44 N4 O12 S4 -","4","1","TK2737","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Methylphenylsulfonyl)acetamide","Acta Crystallographica Section E","2011","67","5","o1188","","10.1107/S1600536811014218","","","0.71073","MoKα","","0.0467","0.0353","","","0.0802","0.0857","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230159","9.451","0.0019","22.042","0.004","11.695","0.002","90","","98.44","0.03","90","","2409.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2-carboxybenzoato-κ<i>O</i>^1^)bis[1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^4^]manganese(II) dihydrate","","- C50 H50 F2 Mn N6 O16 -","- C50 H50 F2 Mn N6 O16 -","- C100 H100 F4 Mn2 N12 O32 -","2","0.5","VM2075","Zhang, Guang-Ju; He, Jiang-Hong; Yan, Shi-Wei; Sun, Dian-Zhen; Chen, Hai-Yan","Bis(2-carboxybenzoato-κ<i>O</i>^1^)bis[1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylato-κ^2^<i>O</i>^3^,<i>O</i>^4^]manganese(II) dihydrate","Acta Crystallographica Section E","2011","67","5","m538","m539","10.1107/S1600536811011615","","","0.71073","MoKα","","0.0911","0.0508","","","0.1256","0.1447","","","","","","1.003","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230160","11.8208","0.0013","27.896","0.003","22.875","0.003","90","","99.723","0.002","90","","7434.7","1.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis[2-(3,5-dimethoxyphenyl)ethenyl]biphenyl","","- C32 H30 O4 -","- C32 H30 O4 -","- C384 H360 O48 -","12","3","VM2079","Collas, Alain; Zeller, Matthias; Blockhuys, Frank","4,4'-Bis[2-(3,5-dimethoxyphenyl)ethenyl]biphenyl","Acta Crystallographica Section E","2011","67","5","o1112","o1113","10.1107/S1600536811012888","","","0.71073","MoKα","","0.0843","0.0596","","","0.158","0.1808","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230161","10.703","0.002","13.472","0.003","15.151","0.003","90","","90","","90","","2184.6","0.8","293","2","293","2","100","","","","","","","6","P b c m","-P 2c 2b","57","","Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate","","- C20 H18 Co F6 N6 P -","- C20 H18 Co F6 N6 P -","- C80 H72 Co4 F24 N24 P4 -","4","0.5","VM2083","Yu, Fan; Li, Bao","Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate","Acta Crystallographica Section E","2011","67","5","m566","","10.1107/S1600536811012001","","","0.71073","MoKα","","0.0265","0.0253","","","0.069","0.0698","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230162","11.215","0.002","9.393","0.002","19.655","0.003","90","","98.61","0.02","90","","2047.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Chlorophenylsulfonyl)acetamide","","- C8 H8 Cl N O3 S -","- C8 H8 Cl N O3 S -","- C64 H64 Cl8 N8 O24 S8 -","8","2","VM2086","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorophenylsulfonyl)acetamide","Acta Crystallographica Section E","2011","67","5","o1097","","10.1107/S1600536811012785","","","0.71073","MoKα","","0.1541","0.0566","","","0.0792","0.0987","","","","","","0.949","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230163","9.881","0.0001","19.679","0.0005","6.453","0.0003","90","","108.26","0.02","90","","1191.59","0.15","293","2","293","2","98.6","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium 2,4,6-trioxo-1,3-diazinan-5-ide‒1,3-diazinane-2,4,6-trione‒water (1/1/1)","","- C8 H9 N4 O7 Rb -","- C8 H9 N4 O7 Rb -","- C32 H36 N16 O28 Rb4 -","4","1","VM2087","Gryl, Marlena; Stadnicka, Katarzyna","Rubidium 2,4,6-trioxo-1,3-diazinan-5-ide‒1,3-diazinane-2,4,6-trione‒water (1/1/1)","Acta Crystallographica Section E","2011","67","5","m571","m572","10.1107/S1600536811012657","","","0.71073","MoKα","","0.0299","0.0239","","0.0592","","0.0592","","","1.033","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230164","21.75","0.004","11.618","0.002","11.028","0.002","90","","93.24","0.03","90","","2782.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis[2-(4-tolylsulfanyl)acetato- κ<i>O</i>]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C28 H30 Mn N2 O6 S2 -","- C28 H30 Mn N2 O6 S2 -","- C112 H120 Mn4 N8 O24 S8 -","4","0.5","WM2465","Zheng, Xiao-Yong","<i>catena</i>-Poly[[diaquabis[2-(4-tolylsulfanyl)acetato-κ<i>O</i>]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","5","m524","","10.1107/S1600536811011263","","","0.71073","MoKα","","0.0378","0.0339","","","0.0915","0.0949","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230165","8.34","0.004","8.34","0.004","24.007","0.008","90","","90","","120","","1446.1","1.1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","rubidium ditin(IV) tris(phosphate)","","- O12 P3 Rb Sn2 -","- O12 P3 Rb Sn2 -","- O72 P18 Rb6 Sn12 -","6","0.333333","WM2466","Zhao, Dan; Li, FeiFei; Qiu, Shen; Jiao, Jiali; Ren, Junran","RbSn~2~(PO~4~)~3~, a NASICON-type phosphate","Acta Crystallographica Section E","2011","67","5","i32","","10.1107/S1600536811014310","","","0.71073","MoKα","","0.0285","0.0259","","","0.0426","0.0433","","","","","","1.158","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2230166","8.6495","0.0006","17.9486","0.0012","9.113","0.0006","90","","110.603","0.001","90","","1324.27","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[(η^5^-Cyclopentadienyl)diphenylmethyl]-1<i>H</i>-imidazolido- κ<i>N</i>}bis(<i>N</i>,<i>N</i>-diethylamido)titanium(IV)","","- C29 H36 N4 Ti -","- C29 H36 N4 Ti -","- C58 H72 N8 Ti2 -","2","1","WM2469","Cai, Xianfeng; Xu, Yingying; Nie, Wanli; Borzov, Maxim V.","{2-[(η^5^-Cyclopentadienyl)diphenylmethyl]-1<i>H</i>-imidazolido-κ<i>N</i>}bis(<i>N</i>,<i>N</i>-diethylamido)titanium(IV)","Acta Crystallographica Section E","2011","67","5","m549","m550","10.1107/S1600536811012396","","","0.71073","MoKα","","0.056","0.0399","","","0.0956","0.1018","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230167","18.906","0.003","7.9483","0.0011","9.9809","0.0013","90","","90","","90","","1499.8","0.4","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","Diammonium tricadmium tris(sulfate) dihydroxide dihydrate","","- Cd3 H14 N2 O16 S3 -","- Cd3 H14 N2 O16 S3 -","- Cd12 H56 N8 O64 S12 -","4","0.5","WM2470","Yin, Xin","Diammonium tricadmium tris(sulfate) dihydroxide dihydrate","Acta Crystallographica Section E","2011","67","5","i31","","10.1107/S1600536811012979","","","0.71073","MoKα","","0.0278","0.0274","","","0.0654","0.0656","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230168","15.62","0.003","8.531","0.0017","12.739","0.003","90","","97.07","0.03","90","","1684.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4- carboxylato)]manganese(II)","","- C13 H14 Mn N4 O10 -","- C13 H14 Mn N4 O10 -","- C52 H56 Mn4 N16 O40 -","4","0.5","WM2475","Yang, Huai-Xia; Zhou, Xiaoli; Jin, Guanghua; Meng, Xiang-Ru","Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]manganese(II)","Acta Crystallographica Section E","2011","67","5","m560","","10.1107/S1600536811012566","","","0.71073","MoKα","","0.0447","0.0371","","","0.0851","0.0895","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230169","11.563","0.002","23.447","0.005","9.881","0.002","90","","95.43","0.03","90","","2666.9","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-bromophenyl)formamidine","","- C13 H10 Br2 N2 -","- C13 H10 Br2 N2 -","- C104 H80 Br16 N16 -","8","1","WM2476","Han, L.-J.","Redetermination of (<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-bromophenyl)formamidine","Acta Crystallographica Section E","2011","67","5","o1159","","10.1107/S1600536811013419","","","0.71073","MoKα","","0.0728","0.0478","","","0.1078","0.1141","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230170","12.0709","0.0004","5.9689","0.0002","21.9224","0.0005","90","","104.77","0.001","90","","1527.32","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquachloridobis(diphenylglyoximato-κ^2^<i>N</i>,<i>N</i>')cobalt(III) dihydrate","","- C28 H28 Cl Co N4 O7 -","- C28 H22 Cl Co N4 O7 -","- C56 H44 Cl2 Co2 N8 O14 -","2","0.5","WM2477","Meera, Parthasarathy; Selvi, Madhavan Amutha; Dayalan, Arunachalam","Aquachloridobis(diphenylglyoximato-κ^2^<i>N</i>,<i>N</i>')cobalt(III) dihydrate","Acta Crystallographica Section E","2011","67","5","m626","m627","10.1107/S1600536811014280","","","0.71073","MoKα","","0.07","0.0615","","","0.1899","0.1992","","","","","","1.249","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230171","13.427","0.003","13.3935","0.0016","13.318","0.003","90","","100.102","0.013","90","","2357.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexadecapraseodymium henicosamolybdenum hexapentacontaoxide","","- Mo21 O56 Pr16 -","- Mo21 O56 Pr16 -","- Mo42 O112 Pr32 -","2","0.5","WM2479","Gougeon, Patrick; Gall, Philippe","Pr~16~Mo~21~O~56~","Acta Crystallographica Section E","2011","67","5","i34","i35","10.1107/S1600536811015649","","","0.71073","MoKα","","0.0358","0.0247","","","0.0464","0.0491","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230172","9.979","0.005","10.577","0.006","12.104","0.004","87.728","0.005","81.196","0.003","69.995","0.005","1186.2","1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","(Benzyl phenyl sulfoxide-κ<i>O</i>)dichloridodiphenyltin(IV)","","- C25 H22 Cl2 O S Sn -","- C25 H22 Cl2 O S Sn -","- C50 H44 Cl4 O2 S2 Sn2 -","2","1","WM2481","Tan, Guo-Xia; Zhang, Chang-Fa; Liu, Xi-Cheng","(Benzyl phenyl sulfoxide-κ<i>O</i>)dichloridodiphenyltin(IV)","Acta Crystallographica Section E","2011","67","5","m632","","10.1107/S1600536811014474","","","0.71069","MoKα","","0.0343","0.025","","","0.0526","0.0559","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230173","9.2498","0.0005","13.8999","0.0007","14.2258","0.0007","90","","90.345","0.001","90","","1829","0.16","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ethyl 1-benzyl-1,2,3,3a,4,10b-hexahydropyrrolo[2',3':3,4]pyrrolo[1,2- <i>a</i>]benzimidazole-2-carboxylate","ethyl 11-benzyl-1,8,11-triazatetracyclo[7.6.0.0^2,7^.0^10,14^]pentadeca- 2(7),3,5,8-tetraene-12-carboxylate","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C88 H92 N12 O8 -","4","1","WN2427","Meng, Liping; Fettinger, James C.; Kurth, Mark J.","Ethyl 1-benzyl-1,2,3,3a,4,10b-hexahydropyrrolo[2',3':3,4]pyrrolo[1,2-<i>a</i>]benzimidazole-2-carboxylate","Acta Crystallographica Section E","2011","67","5","o1214","","10.1107/S1600536811014292","","","0.71073","MoKα","","0.0569","0.0371","","","0.0859","0.0951","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230174","9.1569","0.0001","9.907","0.0002","18.7478","0.0003","90","","92.04","0.001","90","","1699.67","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2-{2-[1-(3-Hydroxyphenyl)ethylidene]hydrazinyl}-1,3- thiazol-4-yl)-2<i>H</i>-chromen-2-one","","- C20 H15 N3 O3 S -","- C20 H15 N3 O3 S -","- C80 H60 N12 O12 S4 -","4","1","WN2428","Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun","(<i>E</i>)-3-(2-{2-[1-(3-Hydroxyphenyl)ethylidene]hydrazinyl}-1,3-thiazol-4-yl)-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","5","o1072","o1073","10.1107/S1600536811012189","","","0.71073","MoKα","","0.0494","0.0412","","","0.0995","0.1045","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230175","7.4932","0.0002","9.2679","0.0002","36.9165","0.0008","90","","90","","90","","2563.71","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-cyano(3-phenoxyphenyl)methyl (<i>Z</i>)-(1<i>R</i>,3<i>S</i>)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1- (trifluoromethyl)ethoxycarbonyl]vinyl}cyclopropane-1-carboxylate","","- C26 H21 F6 N O5 -","- C26 H21 F6 N O5 -","- C104 H84 F24 N4 O20 -","4","1","WN2431","Yang, Hojin; Kim, Tae Ho; Park, Ki-Min; Kim, Jineun","Acrinathrin: (<i>S</i>)-cyano(3-phenoxyphenyl)methyl (<i>Z</i>)-(1<i>R</i>,3<i>S</i>)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxycarbonyl]vinyl}cyclopropane-1-carboxylate","Acta Crystallographica Section E","2011","67","5","o1275","","10.1107/S1600536811014760","","","0.71073","MoKα","","0.0613","0.0428","","","0.091","0.0987","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230176","10.515","0.002","19.195","0.004","14.149","0.003","90","","103.39","0.03","90","","2778.1","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Propane-1,2-diaminium tris(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zirconate(IV) trihydrate","","- C24 H27 N5 O15 Zr -","- C24 H27 N5 O15 Zr -","- C96 H108 N20 O60 Zr4 -","4","1","XU5157","Pasdar, Hoda; Shakiba, Shahrzad; Aghabozorg, Hossein; Notash, Behrouz","Propane-1,2-diaminium tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zirconate(IV) trihydrate","Acta Crystallographica Section E","2011","67","5","m587","","10.1107/S1600536811008488","","","0.71073","MoKα","","0.1282","0.0863","","","0.1882","0.2055","","","","","","1.179","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230177","6.636","0.0013","14.907","0.003","13.588","0.003","90","","95.09","0.03","90","","1338.9","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","Bis(4-amino-2-chlorophenyl) disulfide","4-[(4-amino-2-chlorophenyl)disulfanyl]-3-chloroaniline","","- C12 H10 Cl2 N2 S2 -","- C12 H10 Cl2 N2 S2 -","- C48 H40 Cl8 N8 S8 -","4","1","XU5174","Tang, Jun-Mei; Feng, Zhi-Qiang; Cheng, Wei","Bis(4-amino-2-chlorophenyl) disulfide","Acta Crystallographica Section E","2011","67","5","o1197","","10.1107/S1600536811014425","","","0.71073","MoKα","","0.0354","0.0312","","","0.0849","0.088","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230178","21.718","0.004","14.347","0.003","16.311","0.003","90","","117.045","0.003","90","","4526.6","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2-Hydroxyacetato-κ<i>O</i>^1^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) nitrate","","- C26 H19 Cu N5 O6 -","- C26 H19 Cu N5 O6 -","- C208 H152 Cu8 N40 O48 -","8","1","XU5175","Kong, Ya-Jie; Yuan, Zhuang-Dong","(2-Hydroxyacetato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) nitrate","Acta Crystallographica Section E","2011","67","5","m592","","10.1107/S1600536811013110","","","0.71073","MoKα","","0.0354","0.0329","","","0.0992","0.1012","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230179","5.8847","0.0004","17.196","0.003","9.7075","0.0009","90","","95.184","0.001","90","","978.3","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>R</i>~p~)-2-Isopropyl-5-methylcyclohexyl isopropyl(phenyl)phosphinate","","- C19 H31 O2 P -","- C19 H31 O2 P -","- C38 H62 O4 P2 -","2","1","XU5176","Liu, Li-Juan; Xu, Hao; Meng, Fan-Jie; Wang, Da-Qi; Zhao, Chang-Qiu","(<i>R</i>~p~)-2-Isopropyl-5-methylcyclohexyl isopropyl(phenyl)phosphinate","Acta Crystallographica Section E","2011","67","5","o1186","","10.1107/S1600536811013390","","","0.71073","MoKα","","0.0782","0.0465","","","0.068","0.073","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230180","11.7264","0.0019","16.617","0.003","9.963","0.0016","90","","101.522","0.002","90","","1902.2","0.6","299","2","299","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate","","- C17 H14 N4 O7 S -","- C17 H14 N4 O7 S -","- C68 H56 N16 O28 S4 -","4","1","XU5177","Saeed, Sohail; Rashid, Naghmana; Bhatti, Moazzam H.; Wong, Wing-Tak","Ethyl 2-[3-(3,5-Dinitrobenzoyl)thioureido]benzoate","Acta Crystallographica Section E","2011","67","5","o1114","","10.1107/S1600536811012918","","","0.71073","MoKα","","0.0412","0.037","","","0.0906","0.0945","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230181","22.491","0.003","5.4342","0.0007","14.3118","0.0019","90","","106.788","0.002","90","","1674.6","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>'-Dicarboxy-<i>N</i>,<i>N</i>'-dicarboxylato(<i>m</i>- phenylene)dimethanaminium monohydrate","","- C16 H22 N2 O9 -","- C16 H22 N2 O9 -","- C64 H88 N8 O36 -","4","1","XU5178","Qiang, Yu-Xing; Zhu, Shou-Rong; Shao, Min","<i>N</i>,<i>N</i>'-Dicarboxy-<i>N</i>,<i>N</i>'-dicarboxylato(<i>m</i>-phenylene)dimethanaminium monohydrate","Acta Crystallographica Section E","2011","67","5","o1174","","10.1107/S1600536811013675","","","0.71073","MoKα","","0.0358","0.0299","","","0.0652","0.0691","","","","","","0.968","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230182","7.7712","0.0003","10.8413","0.0003","18.9762","0.0004","90","","90","","90","","1598.74","0.08","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-Phenyl-4-propyl-\ 3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epithioisoindole-1,3-dione 8-oxide","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","XU5179","Demircan, Aydın; Şahin, Ertan; Beyazova, Gözde; Karaaslan, Muhsin; Hökelek, Tuncer","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-Phenyl-4-propyl-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epithioisoindole-1,3-dione 8-oxide","Acta Crystallographica Section E","2011","67","5","o1085","o1086","10.1107/S1600536811012876","","","0.71073","MoKα","","0.0599","0.0473","","","0.1024","0.1075","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230183","17.4533","0.0007","5.0836","0.0002","26.817","0.001","90","","92.839","0.001","90","","2376.43","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Oxybis{<i>N</i>-[(<i>E</i>)-quinolin-2-ylmethylidene]aniline}","","- C32 H22 N4 O -","- C32 H22 N4 O -","- C128 H88 N16 O4 -","4","1","XU5181","Djamel, Daoud; Tahar, Douadi; Djahida, Haffar; Hanane, Hammani; Salah, Chafaa","4,4'-Oxybis{<i>N</i>-[(<i>E</i>)-quinolin-2-ylmethylidene]aniline}","Acta Crystallographica Section E","2011","67","5","o1119","o1120","10.1107/S1600536811012955","","","0.71073","MoKα","","0.0628","0.0418","","","0.1183","0.1499","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230184","21.9202","0.0005","9.9343","0.0003","8.1005","0.0002","90","","90","","90","","1763.98","0.08","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(1<i>RS</i>,2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,7<i>RS</i>)-2,5-Dichloro- 8-oxabicyclo[5.1.0]octan-3-ol","","- C7 H10 Cl2 O2 -","- C7 H10 Cl2 O2 -","- C56 H80 Cl16 O16 -","8","1","XU5182","Çetinkaya, Yasin; Menzek, Abdullah; Hökelek, Tuncer","(1<i>RS</i>,2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,7<i>RS</i>)-2,5-Dichloro-8-oxabicyclo[5.1.0]octan-3-ol","Acta Crystallographica Section E","2011","67","5","o1145","","10.1107/S1600536811013304","","","0.71073","MoKα","","0.119","0.0882","","","0.1777","0.1899","","","","","","1.18","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230185","7.712","0.0005","9.2713","0.0006","13.2452","0.0009","75.529","0.001","76.216","0.001","78.117","0.001","879.73","0.1","294","","294","","","","","","","","","6","P -1","-P 1","2","","Poly[[octaaquatetrakis(μ~3~-pyridine-2,5- dicarboxylato)copper(II)diytterbium(III)] monohydrate]","","- C28 H30 Cu N4 O25 Yb2 -","- C28 H30 Cu N4 O25 Yb2 -","- C28 H30 Cu N4 O25 Yb2 -","1","0.5","XU5183","Lush, Shie Fu; Shen, Fwu Ming","Poly[[octaaquatetrakis(μ~3~-pyridine-2,5-dicarboxylato)copper(II)diytterbium(III)] monohydrate]","Acta Crystallographica Section E","2011","67","5","m615","m616","10.1107/S1600536811014048","","","0.71073","MoKα","","0.0482","0.0439","","","0.0936","0.0954","","","","","","1.179","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230186","7.2244","0.0005","9.3201","0.0008","14.9422","0.0009","98.449","0.002","99.183","0.004","99.478","0.004","964.01","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-3-[4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)phenyl]- 1-(4-methoxyphenyl)prop-2-en-1-one","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C48 H40 N4 O6 -","2","1","XU5184","Akkurt, Mehmet; Baktır, Zeliha; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-3-[4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","5","o1088","o1089","10.1107/S1600536811012645","","","0.71073","MoKα","","0.111","0.0587","","","0.1234","0.1619","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230187","14.6313","0.0011","8.1579","0.0006","16.4455","0.0012","90","","109.04","0.001","90","","1855.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[2-Hydroxy-3-(2,4,6-trimethylphenyl)propyl]-3-methyl-1-phenylthiourea","","- C20 H26 N2 O S -","- C20 H26 N2 O S -","- C80 H104 N8 O4 S4 -","4","1","XU5185","Maharramov, Abel M.; Khalilov, Ali N.; Sadikhova, Nurlana D.; Gurbanov, Atash V.; Ng, Seik Weng","3-[2-Hydroxy-3-(2,4,6-trimethylphenyl)propyl]-3-methyl-1-phenylthiourea","Acta Crystallographica Section E","2011","67","5","o1087","","10.1107/S1600536811012736","","","0.71073","MoKα","","0.0471","0.0393","","","0.1062","0.112","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230188","8.74","0.003","12.464","0.004","12.464","0.004","76.103","0.004","81.491","0.006","81.491","0.006","1294.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-(2-Fluorobenzyl)quinolinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')\ nickelate(III)","","- C22 H13 F N Ni S10 -","- C22 H13 F N Ni S10 -","- C44 H26 F2 N2 Ni2 S20 -","2","1","XU5187","Shan, Wen-Wen; Zhang, Peng; Hu, Xi-Ying","1-(2-Fluorobenzyl)quinolinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)","Acta Crystallographica Section E","2011","67","5","m634","","10.1107/S1600536811014899","","","0.71073","MoKα","","0.0849","0.0519","","","0.0757","0.0823","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230189","12.5739","0.0009","22.0375","0.0012","10.7453","0.0008","90","","110.342","0.008","90","","2791.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-5-hydroxy-2-methylanthra[1,2-<i>b</i>]furan-6,11-dione","","- C19 H12 O5 -","- C19 H12 O5 -","- C152 H96 O40 -","8","2","XU5188","Ahmad, Rohaya; Jeinie, Mohamad Faiz; Ismail, Nor Hadiani; Hazni, Hazrina; Ng, Seik Weng","3-Acetyl-5-hydroxy-2-methylanthra[1,2-<i>b</i>]furan-6,11-dione","Acta Crystallographica Section E","2011","67","5","o1144","","10.1107/S1600536811013389","","","0.71073","MoKα","","0.1632","0.0678","","","0.11","0.1494","","","","","","0.948","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230190","10.6685","0.0004","16.819","0.0005","14.126","0.0005","90","","106.303","0.003","90","","2432.76","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxypropyl)-3,3,6,6-tetramethyl- 1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","","- C26 H32 Br N O4 -","- C26 H32 Br N O4 -","- C104 H128 Br4 N4 O16 -","4","1","XU5192","Khalilov, Ali N.; Abdelhamid, Antar A.; Gurbanov, Atash V.; Ng, Seik Weng","9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxypropyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2011","67","5","o1146","","10.1107/S1600536811013481","","","0.71073","MoKα","","0.0812","0.0533","","","0.1196","0.1352","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230191","8.2382","0.0005","19.1223","0.0012","9.2209","0.0006","90","","114.623","0.001","90","","1320.51","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(9-Methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca- 2,4,6-trien-13-yl)ethan-1-one","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","XU5193","Kurbanova, Malahat M.; Maharramov, Abel M.; Novruzova, Aysel B.; Gurbanov, Atash V.; Ng, Seik Weng","1-(9-Methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-yl)ethanone","Acta Crystallographica Section E","2011","67","5","o1156","","10.1107/S1600536811013699","","","0.71073","MoKα","","0.1118","0.0786","","","0.1911","0.2109","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230192","18.6927","0.0005","6.0646","0.0002","15.6262","0.0005","90","","107.212","0.002","90","","1692.11","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Naphthalen-1-yl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5(4<i>H</i>)-one","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C96 H60 N4 O8 -","4","1","XU5196","Gündoğdu, Cevher; Alp, Serap; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer","2-(Naphthalen-1-yl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","5","o1258","o1259","10.1107/S1600536811015340","","","0.71073","MoKα","","0.078","0.0439","","","0.1098","0.1359","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230193","14.9151","0.0004","22.5593","0.0005","17.1642","0.0003","90","","90","","90","","5775.3","0.2","291","2","291","2","","","","","","","","4","I b c a","-I 2b 2c","73","","3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C224 H304 N48 S16 -","16","1","XU5197","Zhang, Yan-Ling; Zhang, Xiao-Wei; Zhang, Fu-Juan","3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea","Acta Crystallographica Section E","2011","67","5","o1268","","10.1107/S1600536811015510","","","1.54184","CuKα","","0.0658","0.0526","","","0.1476","0.1616","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230194","9.3782","0.0003","12.3467","0.0005","21.9651","0.0008","90","","90","","90","","2543.34","0.16","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium (<i>S</i>)-(-)-<i>O</i>-[1-(2-naphthyl)ethyl] (4-methoxyphenyl)dithiophosphonate","","- C25 H34 N O2 P S2 -","- C25 H34 N O2 P S2 -","- C100 H136 N4 O8 P4 S8 -","4","1","XU5201","Solak, Samet; Karakuş, Mehmet; Tercan, Barış; Hökelek, Tuncer","Triethylammonium (<i>S</i>)-({-})-<i>O</i>-[1-(2-naphthyl)ethyl] (4-methoxyphenyl)dithiophosphonate","Acta Crystallographica Section E","2011","67","5","o1260","o1261","10.1107/S1600536811015820","","","0.71073","MoKα","","0.04","0.0356","","","0.0894","0.0937","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230195","6.9775","0.0003","12.4235","0.0005","39.148","0.0016","90","","90","","90","","3393.5","0.2","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-12-oxoolean-28-oic acid benzyl ester","","- C39 H56 O5 -","- C39 H56 O5 -","- C156 H224 O20 -","4","1","YK2003","Hu, Jun-yi; Xu, Ying-qian; Xu, Guo-bo; Wang, Kang; Lei, Peng","3β-Acetoxy-12-oxoolean-28-oic acid benzyl ester","Acta Crystallographica Section E","2011","67","5","o1027","","10.1107/S1600536811010968","","","0.71073","MoKα","","0.0565","0.0498","","","0.1106","0.1143","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230196","5.7326","0.0002","12.343","0.0003","16.7794","0.0004","90","","90","","90","","1187.27","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl(phenyl)phosphinic acid","","- C13 H13 O2 P -","- C13 H13 O2 P -","- C52 H52 O8 P4 -","4","1","ZB2011","Burrow, Robert A.; Siqueira da Silva, Rubia M.","Benzyl(phenyl)phosphinic acid","Acta Crystallographica Section E","2011","67","5","o1045","","10.1107/S1600536811008245","","","0.71073","MoKα","","0.0439","0.0388","","","0.1044","0.1076","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230197","13.8603","0.0009","15.7746","0.001","16.2606","0.0011","88.004","0.001","84.949","0.001","87.6","0.001","3536.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-{2-[1,3-di-<i>tert</i>-butyl-4-(tert-butylamino)-2-(tert-butylimino)- 1,3,2λ^5^,4-diazadiphosphetidin-2-yl]-1-(4-methoxyphenyl)prop-2-en-1-yl}- 5,5-dimethyl-1,3,2λ^5^-dioxaphosphinan-2-one","","- C31 H57 N4 O4 P3 -","- C31 H57 N4 O4 P3 -","- C124 H228 N16 O16 P12 -","4","2","ZJ2002","Gangadhararao, G.; Venu, Srinivas","The Phospha‒Michael addition product {(<i>t</i>-BuNH)P(μ-N-<i>t</i>-Bu)~2~P(=N-<i>t</i>-Bu)—C(=CH~2~)CH(<i>p</i>-CH~3~O—C~6~H~4~)-P(O)[(OCH~2~C(CH~3~)~2~CH~2~O)]}","Acta Crystallographica Section E","2011","67","5","o1212","o1213","10.1107/S1600536811014127","","","0.71073","MoKα","","0.0628","0.0487","","","0.1195","0.1277","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230198","10.4695","0.0016","9.0346","0.0011","28.361","0.003","90","","90","","90","","2682.6","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate","","- C14 H11 Cl F N O2 -","- C14 H11 Cl F N O2 -","- C112 H88 Cl8 F8 N8 O16 -","8","1","ZJ2005","Singh, Manavendra K.; Agarwal, Alka; Awasthi, Satish K.","Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate","Acta Crystallographica Section E","2011","67","5","o1137","","10.1107/S1600536811012608","","","1.54184","CuKα","","0.1109","0.0703","","","0.1739","0.2341","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230199","10.2688","0.0003","14.7128","0.0004","25.08","0.0007","90","","97.23","0.002","90","","3759.03","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triethylammonium bis{2-[(2-oxido-5-nitrobenzylidene)amino]benzoato}ferrate(III) monohydrate","","- C34 H32 Fe N5 O11 -","- C34 H32 Fe N5 O11 -","- C136 H128 Fe4 N20 O44 -","4","1","ZK2002","Chygorin, Eduard N.; Petrusenko, Svetlana R.; Kokozay, Volodymyr N.; Smal, Yuri O.; Bon, Volodymyr V.","Triethylammonium bis{2-[(2-oxido-5-nitrobenzylidene)amino]benzoato}ferrate(III) monohydrate","Acta Crystallographica Section E","2011","67","5","m593","m594","10.1107/S1600536811011196","","","0.71073","MoKα","","0.0931","0.0814","","","0.2337","0.242","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230200","14.745","0.002","6.796","0.0012","15.183","0.003","90","","94.543","0.002","90","","1516.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[octaaquabis(μ~4~-benzene-1,3,5-tricarboxylato)trizinc] tetrahydrate]","","- C18 H30 O24 Zn3 -","- C18 H30 O24 Zn3 -","- C36 H60 O48 Zn6 -","2","0.5","ZK2004","Sun, Lin; Qiu, Tao Run; Deng, Hong","<i>catena</i>-Poly[[octaaquabis(μ~4~-benzene-1,3,5-tricarboxylato)trizinc] tetrahydrate]","Acta Crystallographica Section E","2011","67","5","m630","m631","10.1107/S160053681101436X","","","0.71073","MoKα","","0.0849","0.0642","","","0.21","0.2247","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230201","12.889","0.003","10.931","0.002","19.309","0.006","90","","123.34","0.02","90","","2272.7","1.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(2-pyridyl)(2-pyridylamino)methanolato]manganese(III) nitrate","","- C22 H20 Mn N7 O5 -","- C22 H20 Mn N7 O5 -","- C88 H80 Mn4 N28 O20 -","4","1","ZK2005","Ding, Shuai; Xia, Congjun; Ji, Yufei; Liu, Zhiliang; Ding, Yong","Bis[(2-pyridyl)(2-pyridylamino)methanolato]manganese(III) nitrate","Acta Crystallographica Section E","2011","67","5","m622","m623","10.1107/S1600536811014371","","","0.71073","MoKα","","0.0624","0.0512","","","0.1543","0.1664","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230202","8.8532","0.0002","10.2011","0.0002","10.4752","0.0003","90.734","0.001","111.568","0.001","97.127","0.001","871.25","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-Cyclohexyl-2-methyl-3-phenylsulfinyl-1-benzofuran","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C42 H44 O4 S2 -","2","1","ZL2365","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-2-methyl-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","5","o1157","","10.1107/S1600536811013705","","","0.71073","MoKα","","0.0446","0.0385","","","0.1009","0.1058","","","","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230203","5.3136","0.0003","6.7551","0.0003","23.3958","0.0011","90","","90","","90","","839.77","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Diazo-<i>N</i>-[(2<i>S</i>)-1-hydroxypropan-2-yl]-2-oxopropanamide","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","ZL2366","Chen, Xiao-na; Hu, Wen-hao; Li, Xiao-liu; Xu, Hua-dong","3-Diazo-<i>N</i>-[(2<i>S</i>)-1-hydroxypropan-2-yl]-2-oxopropanamide","Acta Crystallographica Section E","2011","67","5","o1192","","10.1107/S1600536811014413","","","0.71073","MoKα","","0.0418","0.0387","","","0.1191","0.1229","","","","","","1.17","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230204","12.7413","0.0004","17.5056","0.0008","17.1978","0.0006","90","","108.632","0.004","90","","3634.8","0.3","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","<i>N</i>-Methyl-4-(4-pivalamidophenylsulfanyl)picolinamide hemihydrate","4-{[4-(2,2-dimethylpropanamido)phenyl]sulfanyl}-<i>N</i>-methylpyridine- 2-carboxamide hemihydrate","","- C36 H44 N6 O5 S2 -","- C18 H22 N3 O2.5 S -","- C144 H176 N24 O20 S8 -","8","1","ZQ2092","Ye, Ting-Hong; Huang, Ting-Ting; Shi, Yao-Jie; Xiong, Ying; Yu, Luo-Ting","<i>N</i>-Methyl-4-(4-pivalamidophenylsulfanyl)picolinamide hemihydrate","Acta Crystallographica Section E","2011","67","5","o1098","","10.1107/S1600536811012268","","","0.7107","MoKα","","0.0614","0.0401","","","0.106","0.1108","","","","","","0.964","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230205","8.875","0.0006","9.201","0.0007","10.2677","0.0007","82.5151","0.0009","65.636","0.001","82.798","0.001","754.89","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[2-Amino-4,6-bis(2-pyridyl)-1,3,5-triazine- κ^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^]dichloridocadmium(II)","","- C13 H10 Cd Cl2 N6 -","- C13 H10 Cd Cl2 N6 -","- C26 H20 Cd2 Cl4 N12 -","2","1","ZQ2094","Cao, Man-Li; Shi, Lei","[2-Amino-4,6-bis(2-pyridyl)-1,3,5-triazine-κ^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^]dichloridocadmium(II)","Acta Crystallographica Section E","2011","67","5","m638","","10.1107/S1600536811012517","","","0.71073","MoKα","","0.0205","0.0196","","","0.0547","0.0559","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230206","7.062","0.0005","7.2069","0.0004","11.5995","0.0008","78.46","0.003","75.806","0.003","77.379","0.003","551.77","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Hydrazine-1,2-diium bis(3-carboxy-4-hydroxybenzenesulfonate) tetrahydrate","","- C14 H24 N2 O16 S2 -","- C14 H24 N2 O16 S2 -","- C14 H24 N2 O16 S2 -","1","0.5","ZQ2096","Selvaraju, Devipriya; Venkatesh, Ranjithkumar; Sundararajan, Vairam","Hydrazine-1,2-diium bis(3-carboxy-4-hydroxybenzenesulfonate) tetrahydrate","Acta Crystallographica Section E","2011","67","5","o1236","o1237","10.1107/S1600536811014231","","","0.71073","MoKα","","0.0407","0.0396","","","0.1056","0.107","","","","","","1.12","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2230207","6.6123","0.0009","3.7648","0.0008","22.554","0.003","90","","93.14","0.02","90","","560.62","0.16","296","2","296","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","Biphenyl-3,3'-dicarboxylic acid","","- C14 H10 O4 -","- C14 H10 O4 -","- C28 H20 O8 -","2","0.5","ZQ2097","Deng, Shao-Hua; Zhao, Jun; Mu, Yi-Qiang; Li, Cai; Liu, Hui-Min","Biphenyl-3,3'-dicarboxylic acid","Acta Crystallographica Section E","2011","67","5","o1221","","10.1107/S1600536811014334","","","0.71073","MoKα","","0.064","0.0522","","","0.1429","0.1548","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230208","13.105","0.0008","11.119","0.0007","22.324","0.0013","90","","90.999","0.001","90","","3252.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{μ-6,6'-Dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitrato samarium(III)zinc(II) methanol disolvate","","- C23 H36 N5 O17 Sm Zn -","- C23 H36 N5 O17 Sm Zn -","- C92 H144 N20 O68 Sm4 Zn4 -","4","1","ZS2088","Liu, Fei; Zhang, Fang","{μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitratosamarium(III)zinc(II) methanol disolvate","Acta Crystallographica Section E","2011","67","5","m525","","10.1107/S1600536811007641","","","0.71073","MoKα","","0.0835","0.0701","","","0.1297","0.133","","","","","","1.459","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230209","10.2947","0.0009","11.8526","0.001","12.8501","0.0011","90","","97.933","0.002","90","","1553","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tetrakis(μ~4~-4,6-dimethyl-5-nitrobenzene-1,3-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)bis(pyridine- κ<i>N</i>)dizinc]","","- C15 H12 N2 O6 Zn -","- C15 H12 N2 O6 Zn -","- C60 H48 N8 O24 Zn4 -","4","1","ZS2089","Ma, Qing-Yu; Guan, Rui-Fang; Li, Guo-Zhong","Poly[tetrakis(μ~4~-4,6-dimethyl-5-nitrobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)bis(pyridine-κ<i>N</i>)dizinc]","Acta Crystallographica Section E","2011","67","5","m586","","10.1107/S1600536811013092","","","0.71073","MoKα","","0.0484","0.0328","","","0.0748","0.0811","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230210","9.144","0.0018","9.657","0.0019","28.073","0.006","90","","90","","90","","2478.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene- 5,13,14-trimethanol ethanol monosolvate","","- C26 H46 O4 -","- C26 H46 O4 -","- C104 H184 O16 -","4","1","ZS2101","Li, Jian; Rao, Xiao-ping; Shang, Shi-bin; Gao, Yan-qing","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,13,14-trimethanol ethanol monosolvate","Acta Crystallographica Section E","2011","67","5","o1076","","10.1107/S1600536811012207","","","0.71073","MoKα","","0.1053","0.0632","","","0.1542","0.1801","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230211","19.3","0.004","9.3","0.0019","13.3","0.003","90","","107.6","0.03","90","","2275.5","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis(2-acetamido-5-methylbenzoato-κ<i>O</i>^1^)tetraaquazinc","","- C20 H28 N2 O10 Zn -","- C20 H28 N2 O10 Zn -","- C80 H112 N8 O40 Zn4 -","4","0.5","ZS2102","Huang, Jin-Feng; Zheng, Jian-You; Dai, Yu-Mei","<i>trans</i>-Bis(2-acetamido-5-methylbenzoato-κ<i>O</i>^1^)tetraaquazinc","Acta Crystallographica Section E","2011","67","5","m542","","10.1107/S1600536811012013","","","0.71073","MoKα","","0.0592","0.0553","","","0.1751","0.1787","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230212","6.484","0.004","12.97","0.005","13.076","0.004","71.14","0.03","79.45","0.04","79.52","0.04","1014.1","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-2,2'-(Thiane-2,6-diyl)bis[1-(4-bromophenyl)ethanone]","","- C21 H20 Br2 O2 S -","- C21 H20 Br2 O2 S -","- C42 H40 Br4 O4 S2 -","2","1","ZS2103","Liu, Li-Qiang; Yang, Jing-Kui","<i>rac</i>-2,2'-(Thiane-2,6-diyl)bis[1-(4-bromophenyl)ethanone]","Acta Crystallographica Section E","2011","67","5","o1047","","10.1107/S1600536811011792","","","0.71073","MoKα","","0.1023","0.0545","","","0.0966","0.1123","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230213","32.212","0.007","8.2668","0.0017","25.314","0.005","90","","117.865","0.004","90","","5959","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(5,5'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1-naphthylacetato- κ<i>O</i>)(1-naphthylacetato-κ^2^<i>O</i>,<i>O</i>')zinc hemihydrate","","- C36 H31 N2 O4.5 Zn -","- C36 H31 N2 O4.5 Zn -","- C288 H248 N16 O36 Zn8 -","8","1","ZS2105","Ji, Li-Li; Liu, Jian-She; Song, Wen-Dong","(5,5'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1-naphthylacetato-κ<i>O</i>)(1-naphthylacetato-κ^2^<i>O</i>,<i>O</i>')zinc hemihydrate","Acta Crystallographica Section E","2011","67","5","m606","","10.1107/S1600536811013353","","","0.71073","MoKα","","0.079","0.0439","","","0.0893","0.1063","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230214","11.149","0.008","5.453","0.004","9.844","0.007","90","","90.581","0.012","90","","598.4","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Chloropyridin-2-amine","","- C5 H5 Cl N2 -","- C5 H5 Cl N2 -","- C20 H20 Cl4 N8 -","4","1","ZS2107","Hu, Zhi-Nan; Yang, Hui-Bin; Luo, Huan; Li, Bin","3-Chloropyridin-2-amine","Acta Crystallographica Section E","2011","67","5","o1138","","10.1107/S1600536811013432","","","0.71073","MoKα","","0.0692","0.0591","","","0.1604","0.1815","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230215","6.484","0.0013","8.725","0.0017","11.672","0.002","69.98","0.03","75.43","0.03","88.33","0.03","599.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Fluoro-3-(2-phenylhydrazinylidene)indolin-2-one","","- C14 H10 F N3 O -","- C14 H10 F N3 O -","- C28 H20 F2 N6 O2 -","2","1","AA2004","Wei, Wen-Bin; Tian, Shuo; Shen, Hong; Sun, Jie; Wang, Hai-Bo","5-Fluoro-3-(2-phenylhydrazinylidene)indolin-2-one","Acta Crystallographica Section E","2011","67","6","o1294","","10.1107/S1600536811015285","","","0.71073","MoKα","","0.0559","0.0437","","","0.1404","0.1533","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230216","3.7687","0.0013","13.698","0.005","11.852","0.004","90","","92.851","0.006","90","","611.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[4,6-bis(2-pyridyl)-1,3,5-triazin-2-olato]copper(II)]- μ-chlorido]","","- C13 H8 Cl Cu N5 O -","- C13 H8 Cl Cu N5 O -","- C26 H16 Cl2 Cu2 N10 O2 -","2","0.5","AA2005","Cao, Man-Li","<i>catena</i>-Poly[[[4,6-bis(2-pyridyl)-1,3,5-triazin-2-olato]copper(II)]-μ-chlorido]","Acta Crystallographica Section E","2011","67","6","m739","","10.1107/S1600536811016989","","","0.71073","MoKα","","0.0401","0.0333","","","0.0818","0.0852","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230217","10.7323","0.0004","20.079","0.0006","6.2663","0.0002","90","","90","","90","","1350.35","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl <i>c</i>-1-cyano-<i>t</i>-2-methylsulfonyl-3-phenylcyclopropanecarboxylate","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","AA2006","Vasin, Victor A.; Bolusheva, Irina Yu.; Neverov, Vyacheslav A.; Somov, Nikolai V.","Methyl <i>c</i>-1-cyano-<i>t</i>-2-methylsulfonyl-3-phenylcyclopropanecarboxylate","Acta Crystallographica Section E","2011","67","6","o1504","","10.1107/S1600536811016370","","","0.71073","MoKα","","0.0353","0.0308","","","0.0763","0.078","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230218","5.4645","0.0008","13.43","0.002","9.8189","0.0016","90","","91.294","0.003","90","","720.41","0.19","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6-Dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dioxine-2-thione","","- C5 H4 O2 S3 -","- C5 H4 O2 S3 -","- C20 H16 O8 S12 -","4","1","AA2007","Wang, Guan-nan; Xiao, Xun-wen; Cai, Tongjiang; Huang, Qin","5,6-Dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dioxine-2-thione","Acta Crystallographica Section E","2011","67","6","o1404","","10.1107/S1600536811017417","","","0.71075","MoKα","","0.0365","0.0311","","","0.0802","0.083","","","","","","1.171","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230219","17.6364","0.0007","29.0183","0.0015","11.6701","0.0005","90","","90","","90","","5972.5","0.5","120","2","120","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol","","- C17 H26 O -","- C17 H25 O -","- C272 H400 O16 -","16","4","BG2389","Faust, Rüdiger; Nauroozi, Djawed; Bruhn, Clemens; Koch, Britta; Kuhlich, Paul; Piechotta, Christian; Nehls, Irene","(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN","Acta Crystallographica Section E","2011","67","6","o1462","o1463","10.1107/S1600536811018009","","","0.71073","MoKα","","0.0727","0.0607","","","0.1649","0.1733","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230220","11.801","0.002","12.526","0.003","12.884","0.003","90","","90","","90","","1904.5","0.7","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11,20-Dihydroxy-3-oxopregna-1,4-dien-21-oic acid monohydrate","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","BH2337","Guo, Zhanqiang; Tang, Shengan; Duan, Hongquan","11,20-Dihydroxy-3-oxopregna-1,4-dien-21-oic acid monohydrate","Acta Crystallographica Section E","2011","67","6","o1290","","10.1107/S1600536811015224","","","0.71073","MoKα","","0.0381","0.035","","","0.083","0.0853","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230221","8.2857","0.0017","17.01","0.003","9.3159","0.0019","90","","103.07","0.03","90","","1279","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-amino-3,5-dichloropyridine- κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>)","","- C18 H20 Cl4 Cu2 N4 O8 -","- C18 H20 Cl4 Cu2 N4 O8 -","- C36 H40 Cl8 Cu4 N8 O16 -","2","0.5","BH2343","Chang, Hui-Chang; Cole, Jacqueline M.; Lin, Tze-Chia; Waddell, Paul G.","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-amino-3,5-dichloropyridine-κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section E","2011","67","6","m691","","10.1107/S1600536811015662","","","0.71073","MoKα","","0.0298","0.0293","","","","0.077","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230222","14.547","0.003","12.247","0.002","19.035","0.004","90","","112.46","0.03","90","","3134","1.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>,<i>E</i>)-<i>N</i>-Methyl-4-[(<i>S</i>)2,6,6-trimethyl- 4-oxocyclohex-2-enyl]but-3-en-2-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C112 H192 Cl8 N8 O8 -","8","4","BH2347","Chang, Liu-Shuan; Duan, Hong-Quan","(<i>S</i>,<i>E</i>)-<i>N</i>-Methyl-4-[(<i>S</i>)2,6,6-trimethyl-4-oxocyclohex-2-enyl]but-3-en-2-aminium chloride","Acta Crystallographica Section E","2011","67","6","o1289","","10.1107/S1600536811015297","","","0.71073","MoKα","","0.0612","0.0472","","","0.0854","0.0916","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230223","10.4113","0.0003","10.6073","0.0006","16.2782","0.0006","90","","95.96","0.002","90","","1787.98","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 3-methyl-2,6-diphenylpiperidine-1-carboxylate","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","BH2353","Natarajan, Sampath; Mathews, Rita","Ethyl 3-methyl-2,6-diphenylpiperidine-1-carboxylate","Acta Crystallographica Section E","2011","67","6","o1530","","10.1107/S1600536811019155","","","1.54178","CuKα","","0.0721","0.0446","","","0.1181","0.1362","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230224","3.9338","0.0002","13.8005","0.0008","10.8728","0.0006","90","","94.437","0.004","90","","588.5","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[6-(6-Acetylpyridin-2-yl)pyridin-2-yl]ethanone","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","BQ2286","Dogan, Huseyin Zekeriya; Sengul, Abdurrahman; Coles, Simon John","1-[6-(6-Acetylpyridin-2-yl)pyridin-2-yl]ethanone","Acta Crystallographica Section E","2011","67","6","o1295","","10.1107/S160053681101556X","","","0.71073","MoKα","","0.0457","0.0415","","","0.1011","0.1047","","","","","","1.095","","","","has coordinates,has Fobs","190395","2020-10-21","18:00:00",""
"2230225","8.422","0.0017","9.295","0.0019","14.501","0.003","90","","90","","90","","1135.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4- yl)formamide","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","BQ2288","Wang, Hao-Wei; Yang, Ming-Ming; Lu, Qi-Sheng; Li, Fang-Shi","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)formamide","Acta Crystallographica Section E","2011","67","6","o1310","","10.1107/S1600536811015558","","","0.71073","MoKα","","0.1026","0.0635","","","0.1362","0.1578","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230226","20.44","0.004","17.5","0.004","6.163","0.0012","90","","90","","90","","2204.5","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-Bis(4-<i>tert</i>-butylphenyl)-4-nitrobutan-1-one","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C96 H124 N4 O12 -","4","1","BQ2291","Ren, Dong-Yin; Shi, Lu; Zhang, Qin; Xu, Yi; Zhu, Hong-Jun","1,3-Bis(4-<i>tert</i>-butylphenyl)-4-nitrobutan-1-one","Acta Crystallographica Section E","2011","67","6","o1465","","10.1107/S1600536811018277","","","0.71073","MoKα","","0.0994","0.0621","","","0.1507","0.1805","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230227","11.3308","0.0004","3.9396","0.0001","14.6945","0.0005","90","","98.644","0.001","90","","648.49","0.04","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Ammonium-2-thiobarbiturate","Ammonium 4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ide","","- C4 H7 N3 O2 S -","- C4 H7 N3 O2 S -","- C16 H28 N12 O8 S4 -","4","1","BQ2297","Betz, Richard; Gerber, Thomas","Ammonium 4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ide","Acta Crystallographica Section E","2011","67","6","o1326","","10.1107/S1600536811016722","","","0.71073","MoKα","","0.0262","0.0233","","","0.064","0.0668","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230228","7.3816","0.0004","10.2916","0.0007","18.312","0.001","90","","90","","90","","1391.13","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","1","BQ2299","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","6","o1401","","10.1107/S160053681101717X","","","0.71073","MoKα","","0.0517","0.0359","","","0.0738","0.0794","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230229","9.2397","0.0007","13.0154","0.0008","13.1239","0.0009","90","","107.916","0.009","90","","1501.73","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>'-Bis(4-chlorophenyl)maleamide","<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)but-2-enediamide","","- C16 H12 Cl2 N2 O2 -","- C16 H12 Cl2 N2 O2 -","- C64 H48 Cl8 N8 O8 -","4","1","BQ2300","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(4-chlorophenyl)maleamide","Acta Crystallographica Section E","2011","67","6","o1415","","10.1107/S1600536811017636","","","0.71073","MoKα","","0.0414","0.0325","","","0.0863","0.0908","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230230","8.7733","0.0003","15.2246","0.0005","14.6646","0.0004","90","","116.891","0.002","90","","1746.95","0.1","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(3,4-Dimethoxyphenyl)-3,4,5,6,7,9-hexahydroxanthene-1,8(2<i>H</i>)-dione","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","1","BQ2301","Mehdi, Sayed Hasan; Hashim, Rokiah; Ghalib, Raza Murad; Yeap, Chin Sing; Fun, Hoong-Kun","9-(3,4-Dimethoxyphenyl)-3,4,5,6,7,9-hexahydroxanthene-1,8(2<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","6","o1449","","10.1107/S1600536811017867","","","0.71073","MoKα","","0.0624","0.048","","","0.1209","0.1302","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230231","6.6162","0.0009","7.3703","0.0011","8.4555","0.0012","109.625","0.014","98.345","0.012","92.812","0.012","382.13","0.1","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethylammonium) tetrachloridodimethylstannate(IV)","","- C6 H22 Cl4 N2 Sn -","- C6 H22 Cl4 N2 Sn -","- C6 H22 Cl4 N2 Sn -","1","0.5","BR2163","Diop, Tidiane; Diop, Libasse; Michaud, Francois","Bis(dimethylammonium) tetrachloridodimethylstannate(IV)","Acta Crystallographica Section E","2011","67","6","m696","","10.1107/S1600536811013584","","","0.71073","MoKα","","0.0237","0.0229","","","0.0599","0.0604","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230232","8.5933","0.0012","10.6467","0.0015","14.578","0.002","103.556","0.002","91.501","0.002","101.843","0.002","1265.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-hydroxybenzoato-κ<i>O</i>)bis[3-(4-methoxyphenyl)-4-(4-methylphenyl)- 5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II) dihydrate","","- C56 H50 Cu N8 O10 -","- C56 H50 Cu N8 O10 -","- C56 H50 Cu N8 O10 -","1","0.5","BR2165","Liu, Yan; Wang, Zuoxiang; Zhang, Hai","Bis(2-hydroxybenzoato-κ<i>O</i>)bis[3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II) dihydrate","Acta Crystallographica Section E","2011","67","6","m697","","10.1107/S1600536811016126","","","0.71073","MoKα","","0.042","0.0365","","","0.0978","0.1012","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230233","10.2154","0.0003","12.0504","0.0004","12.631","0.0004","70.602","0.002","69.613","0.001","77.056","0.002","1364.39","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Ethyl 3-[2-(3,4-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]acrylate chloroform hemisolvate","Ethyl 3-[2-(3,4-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]prop-2-enoate chloroform hemisolvate","","- C28.5 H27.5 Cl1.5 N O6 S -","- C28.5 H27.5 Cl1.5 N O6 S -","- C57 H55 Cl3 N2 O12 S2 -","2","1","BT5508","Thenmozhi, M.; Kavitha, T.; Dhayalan, V.; Mohanakrishnan, A. K.; Ponnuswamy, M. N.","Ethyl 3-[2-(3,4-dimethoxybenzyl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]acrylate chloroform hemisolvate","Acta Crystallographica Section E","2011","67","6","o1460","o1461","10.1107/S1600536811017740","","","0.71073","MoKα","","0.079","0.0556","","","0.1636","0.189","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230234","9.9375","0.0005","10.6322","0.0005","17.568","0.0008","77.53","0.004","76.48","0.004","77.074","0.004","1732.6","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-(3,4-Dimethylbenzylidene)-2,2-diphenylhydrazine","","- C21 H20 N2 -","- C21 H20 N2 -","- C84 H80 N8 -","4","2","BT5512","Mendoza, Angel; Cabrera-Vivas, Blanca M.; Meléndrez-Luevano, Ruth; Ramírez, Juan C.; Flores-Alamo, Marcos","(<i>E</i>)-1-(3,4-Dimethylbenzylidene)-2,2-diphenylhydrazine","Acta Crystallographica Section E","2011","67","6","o1287","","10.1107/S1600536811015352","","","0.71073","MoKα","","0.0949","0.0403","","","0.0871","0.1004","","","","","","0.845","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230235","7.2987","0.0003","11.9269","0.0005","15.0756","0.0006","95.369","0.002","102.871","0.002","102.631","0.002","1234.37","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[aquasodium]-di-μ-aqua-[aquasodium]-bis(μ-2- oxoindoline-2,3-dione 3-oximato)] tetrakis(oxoindoline-2,3-dione 3-oxime)]","","- C24 H21 N6 Na O8 -","- C24 H21 N6 Na O8 -","- C48 H42 N12 Na2 O16 -","2","1","BT5520","Barreto Martins, Bianca; Bresolin, Leandro; Santana Carratu, Vanessa; Boneberger Behm, Mariana; Bof de Oliveira, Adriano","A one-dimensional coordination polymer constructed from isatine-3-oximate and sodium","Acta Crystallographica Section E","2011","67","6","m790","m791","10.1107/S1600536811018290","","","0.71073","MoKα","","0.0981","0.0489","","","0.1144","0.135","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230236","19.035","0.002","6.5908","0.0007","14.3001","0.0015","90","","129.454","0.001","90","","1385.2","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,6-Bis[(4<i>R</i>,5<i>R</i>)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine","","- C35 H27 N3 O2 -","- C35 H27 N3 O2 -","- C70 H54 N6 O4 -","2","0.5","BT5522","Lin, Ning; Deng, Yan-Qiu; Chen, Miao-Miao; Luo, Ren-Shi; Ng, Seik Weng","2,6-Bis[(4<i>R</i>,5<i>R</i>)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine","Acta Crystallographica Section E","2011","67","6","o1344","","10.1107/S1600536811014668","","","0.71073","MoKα","","0.0371","0.0337","","","0.0952","0.0994","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230237","7.4918","0.0001","17.4224","0.0002","18.004","0.0002","89.9539","0.0006","82.1008","0.0006","80.2821","0.0007","2293.67","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridobis(4-fluorobenzyl)tin(IV)","","- C24 H20 Cl2 F2 N2 Sn -","- C24 H20 Cl2 F2 N2 Sn -","- C96 H80 Cl8 F8 N8 Sn4 -","4","2","BT5523","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridobis(4-fluorobenzyl)tin(IV)","Acta Crystallographica Section E","2011","67","6","m658","","10.1107/S1600536811015686","","","0.71073","MoKα","","0.0367","0.0271","","","0.0669","0.073","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230238","34.7322","0.0004","7.3709","0.0001","14.576","0.0002","90","","109.053","0.0005","90","","3527.13","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trichlorido(4-methylbenzyl)bis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)tin(IV)","","- C14 H17 Cl3 N4 Sn -","- C14 H17 Cl3 N4 Sn -","- C112 H136 Cl24 N32 Sn8 -","8","1","BT5524","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","Trichlorido(4-methylbenzyl)bis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)tin(IV)","Acta Crystallographica Section E","2011","67","6","m659","","10.1107/S1600536811015698","","","0.71073","MoKα","","0.0198","0.017","","","0.0418","0.0435","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230239","10.7982","0.0001","11.1469","0.0001","14.9456","0.0002","80.8623","0.0006","87.831","0.0005","61.4279","0.0006","1558.31","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetrachloridobis(dibenzyl sulfoxide-κ<i>O</i>)tin(IV)","","- C28 H28 Cl4 O2 S2 Sn -","- C28 H28 Cl4 O2 S2 Sn -","- C56 H56 Cl8 O4 S4 Sn2 -","2","1","BT5525","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","Tetrachloridobis(dibenzyl sulfoxide-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2011","67","6","m660","","10.1107/S1600536811015704","","","0.71073","MoKα","","0.0309","0.0276","","","0.0707","0.0732","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230240","11.0257","0.0001","13.1588","0.0002","14.5369","0.0002","96.4464","0.0005","101.066","0.0005","112.817","0.0005","1866.82","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis{μ-2-[(<i>N</i>,<i>N</i>-diisopropylcarbamothioyl)sulfanyl]acetato- κ^2^<i>O</i>:<i>O</i>'}bis(bis(4-chlorobenzyl){2-[(<i>N</i>,<i>N</i>- diisopropylcarbamothioyl)sulfanyl]acetato-κ^2^<i>O</i>,<i>O</i>'}tin(IV))","","- C64 H88 Cl4 N4 O8 S8 Sn2 -","- C64 H88 Cl4 N4 O8 S8 Sn2 -","- C64 H88 Cl4 N4 O8 S8 Sn2 -","1","0.5","BT5526","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","Bis{μ-2-[(<i>N</i>,<i>N</i>-diisopropylcarbamothioyl)sulfanyl]acetato-κ^2^<i>O</i>:<i>O</i>'}bis(bis(4-chlorobenzyl){2-[(<i>N</i>,<i>N</i>-diisopropylcarbamothioyl)sulfanyl]acetato-κ^2^<i>O</i>,<i>O</i>'}tin(IV))","Acta Crystallographica Section E","2011","67","6","m661","","10.1107/S1600536811015716","","","0.71073","MoKα","","0.027","0.0244","","","0.0796","0.0834","","","","","","0.932","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230241","9.0219","0.0001","10.5929","0.0001","14.5866","0.0002","79.649","0.0005","87.629","0.0005","66.5051","0.0004","1256.93","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Aquabis(4-chlorobenzyl)bis(nicotinato-κ^2^<i>O</i>,<i>O</i>')tin(IV)","","- C26 H22 Cl2 N2 O5 Sn -","- C26 H22 Cl2 N2 O5 Sn -","- C52 H44 Cl4 N4 O10 Sn2 -","2","1","BT5527","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","Aquabis(4-chlorobenzyl)bis(nicotinato-κ^2^<i>O</i>,<i>O</i>')tin(IV)","Acta Crystallographica Section E","2011","67","6","m662","","10.1107/S1600536811015728","","","0.71073","MoKα","","0.0399","0.0385","","","0.1304","0.1334","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230242","10.2504","0.0001","41.2573","0.0006","15.3882","0.0002","90","","100.343","0.0006","90","","6401.98","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloridobis(2-chlorobenzyl)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)tin(IV)","","- C23 H18 Cl3 N O Sn -","- C23 H18 Cl3 N O Sn -","- C276 H216 Cl36 N12 O12 Sn12 -","12","3","BT5528","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","Chloridobis(2-chlorobenzyl)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)tin(IV)","Acta Crystallographica Section E","2011","67","6","m663","","10.1107/S160053681101573X","","","0.71073","MoKα","","0.043","0.037","","","0.0832","0.0856","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230243","10.3162","0.0001","11.0056","0.0001","13.7555","0.0002","78.7708","0.0006","72.3135","0.0005","86.5793","0.0006","1459.44","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-chlorobenzyl)[3-(4-methylphenyl)prop-2-enoato-κ<i>O</i>]tin(IV)","","- C31 H27 Cl3 O2 Sn -","- C31 H27 Cl3 O2 Sn -","- C62 H54 Cl6 O4 Sn2 -","2","1","BT5529","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","Tris(2-chlorobenzyl)[3-(4-methylphenyl)prop-2-enoato-κ<i>O</i>]tin(IV)","Acta Crystallographica Section E","2011","67","6","m664","","10.1107/S1600536811015741","","","0.71073","MoKα","","0.0399","0.0355","","","0.1","0.1062","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230244","18.9722","0.0006","18.2247","0.0004","16.5585","0.0004","90","","90","","90","","5725.3","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[(μ~3~-benzene-1,3,5-tricarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)(μ~2~-2-methylimidazolato- κ^2^<i>N</i>:<i>N</i>')tris(2-methylimidazole-κ<i>N</i>)dizinc(II)]","","- C25 H26 N8 O6 Zn2 -","- C25 H26 N8 O6 Zn2 -","- C200 H208 N64 O48 Zn16 -","8","1","BT5531","Maniam, Palanikumar; Stock, Norbert","Poly[(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)(μ~2~-2-methylimidazolato-κ^2^<i>N</i>:<i>N</i>')tris(2-methylimidazole-κ<i>N</i>)dizinc(II)]","Acta Crystallographica Section E","2011","67","6","m669","m670","10.1107/S1600536811015844","","","0.71073","MoKα","","0.0814","0.0614","","","0.1342","0.1433","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230245","18.6809","0.0012","10.584","0.0008","9.586","0.0006","90","","100.108","0.003","90","","1865.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(3-Methylquinoxalin-2-yl)-<i>N</i>'-phenylbenzohydrazide","","- C22 H18 N4 O -","- C22 H18 N4 O -","- C88 H72 N16 O4 -","4","1","BT5532","Ramli, Youssef; Moussaif, Ahmed; Zouihri, Hafid; Bourichi, Houda; Essassi, El Mokhtar","<i>N</i>'-(3-Methylquinoxalin-2-yl)-<i>N</i>'-phenylbenzohydrazide","Acta Crystallographica Section E","2011","67","6","o1374","","10.1107/S160053681101703X","","","0.71073","MoKα","","0.1153","0.0482","","","0.1054","0.1298","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230246","14.3102","0.0003","13.9933","0.0002","36.0614","0.0006","90","","91.211","0.002","90","","7219.6","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[[tetrakis(μ-1,2-di-4-pyridylethylene- κ^2^<i>N</i>:<i>N</i>')tetrakis(selenocyanato-κ<i>N</i>)dimanganese(II)] 1,2-di-4-pyridylethylene disolvate]","","- C76 H60 Mn2 N16 Se4 -","- C76 H60 Mn2 N16 Se4 -","- C304 H240 Mn8 N64 Se16 -","4","1","BT5535","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Poly[[tetrakis(μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>')tetrakis(selenocyanato-κ<i>N</i>)dimanganese(II)] 1,2-di-4-pyridylethylene disolvate]","Acta Crystallographica Section E","2011","67","6","m693","m694","10.1107/S1600536811016199","","","0.71073","MoKα","","0.0724","0.0556","","","0.1165","0.1241","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230247","7.0933","0.0007","10.5849","0.0011","11.4694","0.0011","98.081","0.001","100.35","0.001","103.903","0.001","806.95","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,10-Phenanthrolin-1-ium hydrogen D,L-tartrate dihydrate","","- C16 H18 N2 O8 -","- C16 H18 N2 O8 -","- C32 H36 N4 O16 -","2","1","BT5536","Cheng, Sit Foon; Ng, Seik Weng","1,10-Phenanthrolin-1-ium hydrogen <small>D</small>,<small>L</small>-tartrate dihydrate","Acta Crystallographica Section E","2011","67","6","o1306","","10.1107/S1600536811015972","","","0.71073","MoKα","","0.0611","0.0474","","","0.1482","0.1598","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230248","4.9926","0.0006","22.296","0.003","12.793","0.002","90","","90.11","0.01","90","","1424.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","1","BT5537","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","6","o1328","","10.1107/S1600536811016321","","","0.71073","MoKα","","0.0858","0.0545","","","0.1034","0.1161","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230249","11.8964","0.0011","10.5198","0.001","17.3743","0.0017","90","","93.188","0.001","90","","2171","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Propan-1-aminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C15 H20 Br4 N2 O5 -","- C15 H20 Br4 N2 O5 -","- C60 H80 Br16 N8 O20 -","4","1","BT5538","Li, Jian","Propan-1-aminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","6","o1356","","10.1107/S1600536811016850","","","0.71073","MoKα","","0.131","0.0472","","","0.0849","0.104","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230250","9.6574","0.0009","11.4153","0.001","23.604","0.002","93.297","0.003","94.834","0.003","112.696","0.003","2380.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-Dihexylamino-4-nitro-stilbene","<i>N</i>,<i>N</i>-Dihexyl-4-[2-(4-nitrophenyl)vinyl]aniline","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C104 H144 N8 O8 -","4","2","BT5539","Schollmeyer, Dieter; Detert, Heiner","<i>N</i>,<i>N</i>-Dihexyl-4-[2-(4-nitrophenyl)vinyl]aniline","Acta Crystallographica Section E","2011","67","6","o1384","o1385","10.1107/S1600536811016709","","","0.71073","MoKα","","0.1275","0.082","","","0.206","0.2392","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230251","11.962","0.003","9.118","0.004","17.704","0.005","90","","104.89","0.003","90","","1866.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(3-chlorophenyl)-6-hydroxy-6-methyl-4-(methylamino)cyclohex-3-ene- 1,3-dicarboxylate","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C72 H88 Cl4 N4 O20 -","4","1","BT5540","Amirthaganesan, S.; Sundaramoorthy, S.; Velmurugan, D.; Jeong, Y. T.","Dimethyl 2-(3-chlorophenyl)-6-hydroxy-6-methyl-4-(methylamino)cyclohex-3-ene-1,3-dicarboxylate","Acta Crystallographica Section E","2011","67","6","o1424","","10.1107/S1600536811017089","","","0.71073","MoKα","","0.0634","0.0444","","","0.122","0.1376","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230252","12.2581","0.0011","14.5375","0.0013","20.1433","0.0018","90","","92.402","0.006","90","","3586.4","0.6","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dibromidobis(triphenylphosphane)platinum(II) chloroform monosolvate","","- C37 H31 Br2 Cl3 P2 Pt -","- C37 H31 Br2 Cl3 P2 Pt -","- C148 H124 Br8 Cl12 P8 Pt4 -","4","0.5","BT5541","Slawin, Alexandra M. Z.; Waddell, Paul G.; Woollins, J. Derek","<i>trans</i>-Dibromidobis(triphenylphosphane)platinum(II) chloroform monosolvate","Acta Crystallographica Section E","2011","67","6","m722","","10.1107/S1600536811016849","","","0.71075","MoKα","","0.0418","0.0277","","","","0.0469","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230253","9.168","0.0008","11.3391","0.0011","12.707","0.0012","90","","104.578","0.002","90","","1278.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatininium cinnamate","2-amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 3-phenylprop-2-enoate","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","BT5542","Ali, A. Jahubar; Athimoolam, S.; Bahadur, S. Asath","Creatininium cinnamate","Acta Crystallographica Section E","2011","67","6","o1376","","10.1107/S1600536811016916","","","0.71073","MoKα","","0.0384","0.0354","","","0.0969","0.0995","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230254","9.459","0.001","9.6368","0.0016","11.9661","0.0015","73.3","0.01","69.465","0.011","74.446","0.01","961.2","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","2,5-Bis[4-(dimethylamino)phenyl]-3,6-dimethylpyrazine","4-{5-[4-(dimethylamino)phenyl]-3,6-dimethylpyrazin-2-yl}- <i>N</i>,<i>N</i>-dimethylaniline","","- C22 H26 N4 -","- C22 H26 N4 -","- C44 H52 N8 -","2","1","BT5544","Moschel, Sebastian; Schollmeyer, Dieter; Detert, Heiner","2,5-Bis[4-(dimethylamino)phenyl]-3,6-dimethylpyrazine","Acta Crystallographica Section E","2011","67","6","o1425","","10.1107/S160053681101748X","","","1.54178","CuKα","","0.0781","0.0627","","","0.1858","0.2184","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230255","11.567","0.0002","19.9312","0.0003","8.7701","0.0001","90","","96.859","0.001","90","","2007.43","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(formato-κ<i>O</i>)manganese(III) dihydrate","","- C19 H25 Mn N2 O9 -","- C19 H25 Mn N2 O9 -","- C76 H100 Mn4 N8 O36 -","4","1","BT5546","Lee, See Mun; Lo, Kong Mun; Ng, Seik Weng","Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(formato-κ<i>O</i>)manganese(III) dihydrate","Acta Crystallographica Section E","2011","67","6","m746","","10.1107/S1600536811017648","","","0.71073","MoKα","","0.0844","0.067","","","0.1792","0.1917","","","","","","1.123","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230256","6.3577","0.0004","7.033","0.0005","11.7624","0.0008","92.713","0.001","103.44","0.001","115.12","0.001","456.75","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis[2-(4-pyridylsulfanyl)acetato-κ<i>N</i>]nickel(II)","","- C14 H20 N2 Ni O8 S2 -","- C14 H20 N2 Ni O8 S2 -","- C14 H20 N2 Ni O8 S2 -","1","0.5","BT5549","Wang, Jing-Yi; Wang, Xiu-Guang; Zhao, Xiao-Jun","Tetraaquabis[2-(4-pyridylsulfanyl)acetato-κ<i>N</i>]nickel(II)","Acta Crystallographica Section E","2011","67","6","m795","","10.1107/S1600536811019131","","","0.71073","MoKα","","0.0239","0.0224","","","0.0595","0.0608","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230257","7.2964","0.0006","9.9075","0.0005","18.1347","0.0013","88.331","0.005","82.892","0.006","79.558","0.005","1279.29","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-<i>N</i>-(2-methylphenyl)benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","2","BT5550","Rodrigues, Vinola Z.; Fronc, Marek; Gowda, B. Thimme; Kožíšek, Jozef","4-Methyl-<i>N</i>-(2-methylphenyl)benzamide","Acta Crystallographica Section E","2011","67","6","o1500","","10.1107/S1600536811018770","","","0.71073","MoKα","","0.1622","0.0423","","","0.0779","0.0968","","","","","","0.742","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230258","4.646","0.01","13.81","0.03","18.768","0.019","102.06","0.09","95.23","0.1","96.85","0.11","1161","4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","Methyl 1-(7-acetamido-5,8-dimethoxyquinolin-2-yl)-4-methyl-β-carboline-3- carboxylate","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C54 H48 N8 O10 -","2","1","BT5551","Nissen, Felix; Schollmeyer, Dieter; Detert, Heiner","Methyl 1-(7-acetamido-5,8-dimethoxyquinolin-2-yl)-4-methyl-β-carboline-3-carboxylate","Acta Crystallographica Section E","2011","67","6","o1497","o1498","10.1107/S1600536811018794","","","1.54178","CuKα","","0.1829","0.0826","","","0.1953","0.2478","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230259","6.6695","0.0004","13.8949","0.0008","10.8718","0.0005","90","","127.055","0.002","90","","804.05","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[5-(2-pyridylmethyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","","- C14 H16 N10 O2 Zn -","- C14 H16 N10 O2 Zn -","- C28 H32 N20 O4 Zn2 -","2","0.5","BT5553","Liu, Yang; Li, Ya-Ling; Wang, Xiu-Guang; Yang, En-Cui","Diaquabis[5-(2-pyridylmethyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","Acta Crystallographica Section E","2011","67","6","m803","","10.1107/S1600536811019507","","","0.71073","MoKα","","0.0227","0.0216","","","0.0526","0.0533","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230260","7.8559","0.0002","8.1003","0.0002","12.4961","0.0003","74.893","0.001","74.809","0.002","68.593","0.001","702.31","0.03","295","2","295","2","","","","","","","","5","P -1","-P 1","2","2'-Chloro-4-methoxy-3-nitrobenzil","1-(2-chlorophenyl)-2-(4-methoxy-3-nitrophenyl)ethane-1,2-dione","","- C15 H10 Cl N O5 -","- C15 H10 Cl N O5 -","- C30 H20 Cl2 N2 O10 -","2","1","BT5555","Nithya, G.; Thanuja, B.; Chakkaravarthi, G.; Kanagam, Charles C.","2'-Chloro-4-methoxy-3-nitrobenzil","Acta Crystallographica Section E","2011","67","6","o1535","","10.1107/S1600536811019532","","","0.71073","MoKα","","0.0537","0.0423","","","0.1197","0.1282","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230261","10.763","0.002","16.6751","0.0019","10.755","0.003","90","","101.109","0.009","90","","1894.1","0.7","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>,<i>E</i>,<i>E</i>,<i>E</i>)-2,3,5,6-Tetrakis{2- [4-(dimethylamino)phenyl]ethenyl}pyrazine","","- C44 H48 N6 -","- C44 H48 N6 -","- C88 H96 N12 -","2","0.5","BT5556","Schmitt, Volker; Schollmeyer, Dieter; Detert, Heiner","(<i>E</i>,<i>E</i>,<i>E</i>,<i>E</i>)-2,3,5,6-Tetrakis{2-[4-(dimethylamino)phenyl]ethenyl}pyrazine","Acta Crystallographica Section E","2011","67","6","o1553","","10.1107/S1600536811019714","","","1.54178","CuKα","","0.1198","0.0808","","","0.2131","0.239","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230262","9.7302","0.0003","9.7389","0.0003","11.746","0.0003","90","","104.093","0.001","90","","1079.57","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","α-(2-Chlorophenyl)-N-phenylnitrone","(<i>Z</i>)-<i>N</i>-(2-Chlorobenzylidene)aniline <i>N</i>-oxide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","BX2346","Fu, Ying; Liu, Yanhua; Yang, Yanshou; Chen, Yaojuan","(<i>Z</i>)-<i>N</i>-(2-Chlorobenzylidene)aniline <i>N</i>-oxide","Acta Crystallographica Section E","2011","67","6","o1320","","10.1107/S1600536811015923","","","0.71073","MoKα","","0.0427","0.0356","","","0.1272","0.1363","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230263","9.7943","0.0007","3.6122","0.0002","21.5905","0.0015","90","","91.268","0.006","90","","763.66","0.09","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4,5-trihydroxybenzoic acid monohydrate","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","BX2352","Demirtaş, Güneş; Dege, Necmi; Büyükgüngör, Orhan","A third monoclinic polymorph of 3,4,5-trihydroxybenzoic acid monohydrate","Acta Crystallographica Section E","2011","67","6","o1509","o1510","10.1107/S1600536811018848","","","0.71073","MoKα","","0.048","0.0391","","","0.0983","0.1039","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230264","10.9869","0.0005","7.0054","0.0003","12.1883","0.0006","90","","105.726","0.002","90","","902.99","0.07","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(4-Chlorophenyl)-1-[(2<i>R</i>,4a<i>R</i>,8a<i>R</i>)-4a,8-dimethyl- 1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]prop-2-en-1-one","","- C21 H25 Cl O -","- C21 H25 Cl O -","- C42 H50 Cl2 O2 -","2","1","CI5186","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed","3-(4-Chlorophenyl)-1-[(2<i>R</i>,4a<i>R</i>,8a<i>R</i>)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1358","","10.1107/S1600536811016886","","","0.71073","MoKα","","0.0523","0.0387","","","0.0975","0.1056","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230265","8.7308","0.0005","9.5721","0.0005","11.5286","0.0006","106.547","0.001","94.572","0.001","101.671","0.001","894.74","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(2<i>E</i>)-3-(3-Benzyloxyphenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one","","- C23 H20 O3 -","- C23 H20 O3 -","- C46 H40 O6 -","2","1","CI5187","Fun, Hoong-Kun; Arshad, Suhana; Sarojini, B. K.; Khaleel, V. Musthafa; Narayana, B.","(2<i>E</i>)-3-(3-Benzyloxyphenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1372","o1373","10.1107/S1600536811016977","","","0.71073","MoKα","","0.0667","0.0492","","","0.1453","0.1629","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230266","10.7666","0.0004","11.3289","0.0004","12.4741","0.0004","82.27","0.001","73.066","0.001","68.178","0.001","1350.65","0.08","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Tetraaquabis(2,6-dihydroxybenzoato-κ<i>O</i>^1^)(2,6-dihydroxybenzoato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)gadolinium(III) dihydrate","","- C21 H27 Gd O18 -","- C21 H27 Gd O18 -","- C42 H54 Gd2 O36 -","2","1","CV5069","Wang, Juangang; Zhang, Jun; Chen, Tiedan","Tetraaquabis(2,6-dihydroxybenzoato-κ<i>O</i>^1^)(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)gadolinium(III) dihydrate","Acta Crystallographica Section E","2011","67","6","m698","","10.1107/S1600536811016163","","","0.71073","MoKα","","0.0255","0.0222","","","0.0505","0.0524","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230267","7.4269","0.0011","8.1003","0.0012","8.5376","0.0012","101.634","0.002","97.914","0.002","116.66","0.002","434.04","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Methyl <i>N</i>-(4-nitrophenyl)carbamate","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C16 H16 N4 O8 -","2","1","CV5074","Cai, Qun; Fei, Zhuan; Li, Lin","Methyl <i>N</i>-(4-nitrophenyl)carbamate","Acta Crystallographica Section E","2011","67","6","o1494","","10.1107/S1600536811018757","","","0.71073","MoKα","","0.0815","0.0739","","","0.1576","0.1619","","","","","","1.257","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230268","14.311","0.003","8.208","0.0016","9.128","0.0018","90","","96.22","0.03","90","","1065.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[hexaaquabis(μ~3~-heptanedioato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')dimagnesium]","","- C7 H16 Mg O7 -","- C7 H16 Mg O7 -","- C28 H64 Mg4 O28 -","4","1","CV5076","Guo, Xia-Xia; Lin, Jian-li","Poly[hexaaquabis(μ~3~-heptanedioato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')dimagnesium]","Acta Crystallographica Section E","2011","67","6","m665","","10.1107/S1600536811015492","","","0.71073","MoKα","","0.0655","0.0463","","","0.1086","0.1205","","","","","","1.164","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230269","7.1577","0.0002","10.3456","0.0002","12.3663","0.0003","90","","95.557","0.001","90","","911.43","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)- 3-(4-methylphenyl)prop-2-en-1-one","","- C22 H28 O -","- C22 H28 O -","- C44 H56 O2 -","2","1","CV5077","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed","1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1381","","10.1107/S1600536811016941","","","0.71073","MoKα","","0.0424","0.039","","","0.0975","0.1022","","","","","","1.109","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230270","11.4457","0.0003","14.472","0.0005","17.0313","0.0005","90","","106.65","0.002","90","","2702.82","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloridotris(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)- (formato-κ<i>O</i>)copper(II)‒ dichloridobis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) (2/1)","","- C42 H66 Cl4 Cu3 N16 O4 -","- C42 H66 Cl4 Cu3 N16 O4 -","- C84 H132 Cl8 Cu6 N32 O8 -","2","0.5","CV5078","Davydenko, Yuliya M.; Fritsky, Igor O.; Pavlenko, Vadim O.; Meyer, Franc; Dechert, Sebastian","Chloridotris(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(formato-κ<i>O</i>)copper(II)‒dichloridobis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) (2/1)","Acta Crystallographica Section E","2011","67","6","m732","m733","10.1107/S1600536811016461","","","0.71073","MoKα","","0.0468","0.0336","","","0.0865","0.091","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230271","12.472","0.002","9.2853","0.0017","12.505","0.002","90","","115.305","0.002","90","","1309.2","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-{(1<i>R</i>,2<i>R</i>)-2-[Bis(4-methylbenzyl)amino]cyclohexyl}isoindoline- 1,3-dione","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C60 H64 N4 O4 -","2","1","CV5079","Li, Chao; Fu, Xiang-Kai; Wu, Chuan-Long; Huang, Jing","2-{(1<i>R</i>,2<i>R</i>)-2-[Bis(4-methylbenzyl)amino]cyclohexyl}isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","6","o1483","","10.1107/S1600536811018101","","","0.71073","MoKα","","0.0626","0.0471","","","0.1041","0.1117","","","","","","1.107","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230272","12.302","0.003","15.386","0.003","12.255","0.003","90","","111.06","0.03","90","","2164.7","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(2,2'-bipyridine)manganese(II)]-μ~3~-4,4'- sulfonyldibenzoato]","","- C24 H16 Mn N2 O6 S -","- C24 H16 Mn N2 O6 S -","- C96 H64 Mn4 N8 O24 S4 -","4","1","CV5080","Yan, Shi-Wei; Zhang, Guang-Ju; Chen, Hai-Yan; Chang, Suo-Cheng; Zhang, Fu-Tian","<i>catena</i>-Poly[[(2,2'-bipyridine)manganese(II)]-μ~3~-4,4'-sulfonyldibenzoato]","Acta Crystallographica Section E","2011","67","6","m712","","10.1107/S160053681101631X","","","0.71073","MoKα","","0.0686","0.0482","","","0.1183","0.1301","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230273","12.5041","0.0014","10.6029","0.0012","17.142","0.0014","90","","124.054","0.005","90","","1882.9","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2,2'-[(Benzylazanediyl)dimethylene]diphenolato}(methanolato)boron","","- C22 H22 B N O3 -","- C22 H22 B N O3 -","- C88 H88 B4 N4 O12 -","4","1","CV5081","Geng, Yanxia; Wu, Wangsuo","{2,2'-[(Benzylazanediyl)dimethylene]diphenolato}(methanolato)boron","Acta Crystallographica Section E","2011","67","6","o1380","","10.1107/S1600536811016990","","","0.71073","MoKα","","0.098","0.0577","","","0.1395","0.1607","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230274","27.248","0.004","5.8241","0.0008","14.275","0.002","90","","94.192","0.003","90","","2259.3","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","(2<i>R</i>,6<i>S</i>)-<i>tert</i>-Butyl 2-(benzhydrylcarbamoyl)-6- methylmorpholine-4-carboxylate","(2<i>R</i>,6<i>S</i>)-<i>tert</i>-Butyl 2-[(diphenylmethyl)carbamoyl]-6-methylmorpholine-4-carboxylate","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","CV5082","Wang, Haiyang; Xia, Guangxin; Liu, Xuejun; Shen, Jingkang","(2<i>R</i>,6<i>S</i>)-<i>tert</i>-Butyl 2-(benzhydrylcarbamoyl)-6-methylmorpholine-4-carboxylate","Acta Crystallographica Section E","2011","67","6","o1437","","10.1107/S1600536811017764","","","0.71073","MoKα","","0.0547","0.0476","","","0.1048","0.1093","","","","","","0.963","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230275","6.9327","0.0008","17.613","0.002","11.4883","0.0016","90","","106.69","0.008","90","","1343.7","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Chloropyrimidin-4-yl)-2-methyl-2<i>H</i>-indazol-6-amine methanol monosolvate","","- C13 H14 Cl N5 O -","- C13 H14 Cl N5 O -","- C52 H56 Cl4 N20 O4 -","4","1","CV5083","Pang, Xiang-Chuan; Deng, Xin-Hua; Sun, Yuan","<i>N</i>-(2-Chloropyrimidin-4-yl)-2-methyl-2<i>H</i>-indazol-6-amine methanol monosolvate","Acta Crystallographica Section E","2011","67","6","o1431","","10.1107/S1600536811017831","","","0.71073","MoKα","","0.0414","0.0388","","","0.1","0.1017","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230276","8.297","0.004","18.12","0.006","11.834","0.004","90","","91.814","0.004","90","","1778.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-{[(<i>E</i>)-2-(isonicotinoyl)hydrazinylidene]methyl}- 3,4-dimethyl-1<i>H</i>-pyrrole-2-carboxylate dihydrate","","- C16 H22 N4 O5 -","- C16 H22 N4 O5 -","- C64 H88 N16 O20 -","4","1","CV5084","Zhang, Zhao-Po; Wang, Yuan; Lu, Ming-Jia; Jia, Lei-Wei; Qiao, Hong-Chang","Ethyl 5-{[(<i>E</i>)-2-(isonicotinoyl)hydrazinylidene]methyl}-3,4-dimethyl-1<i>H</i>-pyrrole-2-carboxylate dihydrate","Acta Crystallographica Section E","2011","67","6","o1413","","10.1107/S1600536811017132","","","0.71073","MoKα","","0.1027","0.0743","","","0.163","0.1759","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230277","16.9501","0.0018","11.1959","0.0013","9.251","0.001","90","","116.986","0.002","90","","1564.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Aminobenzene-1,4-dicarboxylic acid‒4,4'-bipyridine (1/1)","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","0.5","CV5085","Xiao, Wenzhi; Xue, Ruiting; Yin, Yansheng","2-Aminoterephthalic acid‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2011","67","6","o1333","","10.1107/S1600536811016448","","","0.71073","MoKα","","0.0955","0.067","","","0.1718","0.199","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230278","6.8503","0.0015","7.3679","0.0017","18.939","0.004","90","","109.728","0.007","90","","899.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1<i>H</i>-Benzimidazol-3-ium-2-carboxylate dihydrate","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","CV5086","Yao, Xing-Jun; Yuan, Qian","1<i>H</i>-Benzimidazol-3-ium-2-carboxylate dihydrate","Acta Crystallographica Section E","2011","67","6","o1399","","10.1107/S1600536811017399","","","0.71073","MoKα","","0.0551","0.0431","","","0.1044","0.1108","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230279","11.2685","0.0005","14.9167","0.0007","16.8122","0.0008","90","","97.937","0.003","90","","2798.9","0.2","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","[η^5^-(Phenylethynyl)cyclopentadienyl](η^4^-tetraphenylcyclobutadiene) cobalt(I)","","- C41 H29 Co -","- C41 H29 Co -","- C164 H116 Co4 -","4","1","CV5089","Courtney, Donagh; Manning, Anthony R.; McAdam, C. John; Simpson, Jim","[η^5^-(Phenylethynyl)cyclopentadienyl](η^4^-tetraphenylcyclobutadiene)cobalt(I)","Acta Crystallographica Section E","2011","67","6","m742","m743","10.1107/S1600536811016928","","","0.71073","MoKα","","0.0538","0.0454","","","0.1241","0.1304","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230280","13.2581","0.0019","13.2581","0.0019","16.462","0.003","90","","90","","120","","2506","0.7","291","2","291","2","","","","","","","","4","P 61","P 61","169","","1,2;5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-nitromethyl-α-D-allofuranose","","- C13 H21 N O8 -","- C13 H21 N O8 -","- C78 H126 N6 O48 -","6","1","CV5090","Zhang, Qiurong; Ke, Yu; Cheng, Weiyan; Li, Pengyun; Liu, Hongmin","1,2;5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-nitromethyl-α-<small>D</small>-allofuranose","Acta Crystallographica Section E","2011","67","6","o1402","","10.1107/S1600536811017314","","","0.71073","MoKα","","0.0664","0.0614","","","0.1598","0.164","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230281","10.188","0.002","11.53","0.003","11.691","0.003","90","","96.192","0.004","90","","1365.3","0.6","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-{[4-(Dimethylamino)benzyl]amino}-5-(3,4,5-trimethoxyphenyl)- 5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol- 6(8<i>H</i>)-one","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C62 H68 N4 O14 -","2","1","CV5091","Li, Yan; Wang, Huo; Chen, Hong; Chen, Li-Ting; Liu, Jing","9-{[4-(Dimethylamino)benzyl]amino}-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1538","o1539","10.1107/S1600536811019234","","","0.71073","MoKα","","0.035","0.0278","","","0.0592","0.0605","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230282","7.2643","0.0008","8.3072","0.001","9.257","0.0012","104.1","0.02","96.463","0.011","96.92","0.02","531.97","0.13","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Nitrobenzyl)-1<i>H</i>-pyrrole-2-carbaldehyde","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C24 H20 N4 O6 -","2","1","CV5092","Chen, Xu; Liu, Ying; Liu, Deng-Ke; Wang, Ping-Bao","1-(2-Nitrobenzyl)-1<i>H</i>-pyrrole-2-carbaldehyde","Acta Crystallographica Section E","2011","67","6","o1473","","10.1107/S1600536811018459","","","0.71073","MoKα","","0.0626","0.0371","","","0.0855","0.0953","","","","","","0.945","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230283","3.793","0.003","12.2","0.008","16.675","0.011","90","","95.722","0.009","90","","767.8","0.9","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-6-nitro-2<i>H</i>-indazole","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","CV5096","Long, Li; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke","2-Methyl-6-nitro-2<i>H</i>-indazole","Acta Crystallographica Section E","2011","67","6","o1546","","10.1107/S1600536811019374","","","0.71073","MoKα","","0.0466","0.0345","","","0.0861","0.0916","","","","","","1.029","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2230284","13.8013","0.0007","7.518","0.0003","36.2743","0.0015","90","","94.33","0.003","90","","3753","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diethyl 2-{[(5-oxo-5<i>H</i>-thiochromeno[2,3-<i>b</i>]pyridin-7- yl)amino]methylidene}propanedioate","","- C20 H18 N2 O5 S -","- C20 H18 N2 O5 S -","- C160 H144 N16 O40 S8 -","8","1","DN2678","Khan, Muhammad Naeem; Tahir, M. Nawaz; Khan, Misbahul Ain; Munawar, Munawar Ali; Ather, Abdul Qayyum","Diethyl 2-{[(5-oxo-5<i>H</i>-thiochromeno[2,3-<i>b</i>]pyridin-7-yl)amino]methylidene}propanedioate","Acta Crystallographica Section E","2011","67","6","o1348","","10.1107/S1600536811016291","","","0.71073","MoKα","","0.125","0.0544","","","0.1059","0.1304","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230285","16.2579","0.0004","5.0291","0.0001","20.4551","0.0005","90","","97.269","0.001","90","","1659.02","0.07","296","2","296","2","101","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(7-Ethoxy-1<i>H</i>-indazol-4-yl)-4-methylbenzenesulfonamide","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","1","DN2681","Abbassi, Najat; Rakib, El Mostapha; Zouihri, Hafid","<i>N</i>-(7-Ethoxy-1<i>H</i>-indazol-4-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","6","o1354","","10.1107/S1600536811016576","","","0.71073","MoKα","","0.0714","0.0527","","","0.1452","0.1582","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230286","4.8302","0.0015","9.645","0.003","9.809","0.003","81.542","0.007","85.735","0.007","89.676","0.008","450.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-Acetyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","","- C8 H6 Br N3 O2 -","- C8 H6 Br N3 O2 -","- C16 H12 Br2 N6 O4 -","2","1","DN2682","Dahmani, Siham; Kandri Rodi, Youssef; Luis, Santiago V.; Essassi, El Mokhtar; El Ammari, Lahcen","1-Acetyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1375","","10.1107/S1600536811017004","","","0.71073","MoKα","","0.0296","0.0277","","","0.0724","0.0738","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230287","8.366","0.002","11.842","0.003","22.743","0.005","90","","98.328","0.006","90","","2229.4","0.9","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 8-amino-6-bromoimidazo[1,2-<i>a</i>]pyridine-2-carboxylate","","- C10 H10 Br N3 O2 -","- C10 H10 Br N3 O2 -","- C80 H80 Br8 N24 O16 -","8","2","DN2683","Dahmani, Siham; Kandri Rodi, Youssef; Luis, Santiago V.; Essassi, El Mokhtar; El Ammari, Lahcen","Ethyl 8-amino-6-bromoimidazo[1,2-<i>a</i>]pyridine-2-carboxylate","Acta Crystallographica Section E","2011","67","6","o1390","","10.1107/S1600536811017077","","","0.71073","MoKα","","0.0698","0.0407","","","0.1025","0.1164","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230288","21.654","0.002","7.432","0.003","14.069","0.002","90","","90.3","0.02","90","","2264.1","1","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2,3-dimethylanilinium) tetrachloridozincate dihydrate","","- C16 H28 Cl4 N2 O2 Zn -","- C16 H28 Cl4 N2 O2 Zn -","- C64 H112 Cl16 N8 O8 Zn4 -","4","1","DN2685","Souissi, Sofiane; Smirani Sta, Wajda; S. Al-Deyab, Salem; Rzaigui, Mohamed","Bis(2,3-dimethylanilinium) tetrachloridozincate dihydrate","Acta Crystallographica Section E","2011","67","6","m754","","10.1107/S1600536811017478","","","0.56085","AgKα","","0.1198","0.0537","","","0.1267","0.1506","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230289","11.574","0.002","6.3557","0.0012","26.343","0.005","90","","94.939","0.003","90","","1930.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxy-5- methylbenzyl)ethane-1,2-diamine dimethylformamide disolvate","2-{[(2-{bis[(2-hydroxy-5-methylphenyl)methyl]amino}ethyl)[(2-hydroxy-5- methylphenyl)methyl]amino]methyl}-4-methylphenol dimethylformamide disolvate","","- C40 H54 N4 O6 -","- C40 H54 N4 O6 -","- C80 H108 N8 O12 -","2","0.5","DN2686","Wang, Nuan-Sheng; Wang, Yong-Tao; Guo, Xiu-Kai; Li, Tian-Duo","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxy-5-methylbenzyl)ethane-1,2-diamine dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","6","o1438","","10.1107/S1600536811017934","","","0.71073","MoKα","","0.0781","0.0575","","","0.1424","0.1542","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230290","7.5368","0.0015","13.049","0.003","24.749","0.005","90","","94.2","0.03","90","","2427.5","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Isonicotinonitrile‒4-methylbenzoic acid (1/1)","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","DN2689","Cai, Xing-Wei; Lu, Hong-Fei","Isonicotinonitrile‒4-methylbenzoic acid (1/1)","Acta Crystallographica Section E","2011","67","6","o1555","","10.1107/S1600536811019799","","","0.71073","MoKα","","0.0473","0.0414","","","0.1196","0.1243","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230291","22.1321","0.0015","13.8746","0.001","22.2594","0.0016","90","","90","","90","","6835.3","0.8","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate","","- C30 H32 Br4 Cd N4 O S2 -","- C30 H32 Br4.002 Cd N4 O S2 -","- C240 H256 Br32.016 Cd8 N32 O8 S16 -","8","1","DS2093","Manjunatha, M. N.; Ziaulla, Mohamed; Begum, Noor Shahina; Nagasundara, K. R.","Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate","Acta Crystallographica Section E","2011","67","6","m771","","10.1107/S1600536811018058","","","0.71073","MoKα","","0.0526","0.0342","","","0.072","0.0791","","","","","","0.791","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230292","7.1083","0.0004","12.7072","0.0007","14.4024","0.0008","90","","100.161","0.002","90","","1280.52","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-2-(2-Hydroxy-4-methoxybenzylidene)-1-benzofuran-3(2<i>H</i>)-one","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","DS2109","Satyanarayana Reddy, J.; Ravi Kumar, N.; Venkata Prasad, J.; Gopikrishna, G.; Anand Solomon, K.","(<i>Z</i>)-2-(2-Hydroxy-4-methoxybenzylidene)-1-benzofuran-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1330","","10.1107/S1600536811016217","","","0.71073","MoKα","","0.1126","0.0524","","","0.1225","0.1497","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230293","5.6485","0.0006","13.6231","0.0015","12.8642","0.0015","90","","101.883","0.002","90","","968.69","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pentacarbonyl(acetonitrile)tungsten(0)","(Acetonitrile-κ<i>N</i>)pentacarbonyltungsten(0)","","- C7 H3 N O5 W -","- C7 H3 N O5 W -","- C28 H12 N4 O20 W4 -","4","1","DS2110","Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.","(Acetonitrile-κ<i>N</i>)pentacarbonyltungsten(0)","Acta Crystallographica Section E","2011","67","6","m772","","10.1107/S1600536811017879","","","0.71073","MoKα","","0.0267","0.022","","","0.0511","0.0545","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230294","7.126","0.0014","10.125","0.002","24.352","0.005","90","","90.22","0.03","90","","1757","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","12-Benzoyl-2-methylnaphtho[2,3-<i>b</i>]indolizine-6,11-dione","","- C24 H15 N O3 -","- C24 H15 N O3 -","- C96 H60 N4 O12 -","4","1","DS2112","Liu, Yun; Wang, Su-Hui; Shen, Shu-Ren; Yang, Zong-Hui","12-Benzoyl-2-methylnaphtho[2,3-<i>b</i>]indolizine-6,11-dione","Acta Crystallographica Section E","2011","67","6","o1550","","10.1107/S1600536811019623","","","0.71073","MoKα","","0.1468","0.0641","","","0.1363","0.1685","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230295","14.202","0.001","14.561","0.001","13.271","0.001","90","","97.292","0.009","90","","2722.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-Chloro-<i>N</i>-(3-methylphenyl)benzenesulfonamide","","- C13 H12 Cl N O2 S -","- C13 H12 Cl N O2 S -","- C104 H96 Cl8 N8 O16 S8 -","8","1","DS2114","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(3-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","6","o1540","","10.1107/S1600536811019416","","","0.71073","MoKα","","0.0563","0.0428","","","0.111","0.1188","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230296","8.9879","0.0006","19.4457","0.0013","13.5438","0.0007","90","","114.937","0.003","90","","2146.4","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido(2-iminomethyl-3-fluorophenyl- κ^2^<i>C</i>^1^,<i>N</i>)tris(trimethylphosphane-κ<i>P</i>)iron","","- C16 H32 Cl F Fe N P3 -","- C16 H32 Cl F Fe N P3 -","- C64 H128 Cl4 F4 Fe4 N4 P12 -","4","1","EZ2239","Xu, Xiaofeng; Li, Xiaoyan","Chlorido(2-iminomethyl-3-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>)tris(trimethylphosphane-κ<i>P</i>)iron","Acta Crystallographica Section E","2011","67","6","m679","","10.1107/S1600536811015030","","","0.71073","MoKα","","0.0364","0.0286","","","0.0669","0.0709","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230297","5.6607","0.0003","27.1493","0.0018","10.2455","0.0007","90","","100.538","0.003","90","","1548.01","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis(μ~3~-2-methylbenzoato)disilver(I)]","","- C16 H14 Ag2 O4 -","- C16 H14 Ag2 O4 -","- C64 H56 Ag8 O16 -","4","1","EZ2241","Danish, Muhammad; Tahir, M. Nawaz; Ghafoor, Sabiha; Ahmad, Nazir; Nisa, Mehwish","<i>catena</i>-Poly[bis(μ~3~-2-methylbenzoato)disilver(I)]","Acta Crystallographica Section E","2011","67","6","m734","m735","10.1107/S1600536811016801","","","0.71073","MoKα","","0.0589","0.0343","","","0.0555","0.0613","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230298","6.2942","0.0002","11.1162","0.0004","11.8021","0.0006","110.701","0.003","100.176","0.003","103.621","0.002","719.39","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Fluorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 F O2 S -","- C17 H15 F O2 S -","- C34 H30 F2 O4 S2 -","2","1","EZ2242","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-(3-Fluorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","6","o1468","","10.1107/S1600536811018654","","","0.71073","MoKα","","0.054","0.0466","","","0.1269","0.1326","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230299","7.8426","0.0001","10.5549","0.0011","14.6694","0.0003","90","","90","","90","","1214.3","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","proseptazine","4-(benzylamino)benzenesulfonamide","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","EZ2246","Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.","Benzylsulfamide","Acta Crystallographica Section E","2011","67","6","o1551","o1552","10.1107/S1600536811019490","","","0.71073","MoKα","","0.0236","0.0228","","","0.0601","0.0605","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230300","6.8978","0.0014","9.953","0.002","13.713","0.003","90","","90","","90","","941.4","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(1<i>H</i>-Tetrazol-5-yl)-1<i>H</i>-indole monohydrate","","- C9 H9 N5 O -","- C9 H9 N5 O -","- C36 H36 N20 O4 -","4","1","FB2235","Cai, Xing-Wei; Lu, Hong-Fei; Zhou, Zhen","5-(1<i>H</i>-Tetrazol-5-yl)-1<i>H</i>-indole monohydrate","Acta Crystallographica Section E","2011","67","6","o1554","","10.1107/S1600536811018575","","","0.71073","MoKα","","0.066","0.0452","","","0.0976","0.1054","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230301","10.0529","0.0019","7.0833","0.0013","27.72","0.006","90","","93.96","0.003","90","","1969.2","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(pyridine- 2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zinc tetrahydrate","","- C13 H19 N5 O9 S2 Zn -","- C13 H19 N5 O9 S2 Zn -","- C52 H76 N20 O36 S8 Zn4 -","4","1","FF2006","Wang, Yan-Li; Chang, Guang-Jun; Liu, Bing-Xin","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zinc tetrahydrate","Acta Crystallographica Section E","2011","67","6","m683","m684","10.1107/S1600536811015145","","","0.71073","MoKα","","0.0905","0.0517","","","0.1011","0.1193","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230302","9.5799","0.0005","11.9688","0.0007","12.5711","0.0006","115.376","0.005","102.611","0.004","94.659","0.005","1245.69","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquatrinitrato[2,4,6-tris(pyridin-2-yl)-1,3,5-triazine]neodymium(III) dihydrate","","- C18 H18 N9 Nd O12 -","- C18 H18 N9 Nd O12 -","- C36 H36 N18 Nd2 O24 -","2","1","FF2007","Zhou, Jin; Lu, Gan-Xiao; Zhang, Yan-Guang; Wei, Dan-Yi","Aquatrinitrato[2,4,6-tris(pyridin-2-yl)-1,3,5-triazine]neodymium(III) dihydrate","Acta Crystallographica Section E","2011","67","6","m699","","10.1107/S1600536811014589","","","0.71073","MoKα","","0.0471","0.0344","","","0.0657","0.0836","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230303","9.637","0.004","10.82","0.004","11.37","0.004","84.443","0.008","68.706","0.008","86.551","0.009","1099","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","1,2-Bis(<i>N</i>'-benzoylthioureido)-4-chlorobenzene","1-Benzoyl-3-[2-(<i>N</i>'-benzoylthioureido)-5-chlorophenyl]thiourea","","- C22 H17 Cl N4 O2 S2 -","- C22 H17 Cl N4 O2 S2 -","- C44 H34 Cl2 N8 O4 S4 -","2","1","FF2008","Yamin, Bohari M.; Osman, Uwaisulqarni M.","1,2-Bis(<i>N</i>'-benzoylthioureido)-4-chlorobenzene","Acta Crystallographica Section E","2011","67","6","o1286","","10.1107/S1600536811014954","","","0.71073","MoKα","","0.0886","0.066","","","0.16","0.173","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230304","7.3339","0.0006","16.826","0.0014","26.677","0.002","90","","90","","90","","3291.9","0.5","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(4-Methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","FF2009","Cai, Yuepiao; Wang, Zhankun; Li, Zhe; Zhang, Meiling; Wu, Jianzhang","(<i>E</i>)-1-(4-Methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1432","","10.1107/S1600536811017788","","","0.71073","MoKα","","0.039","0.0371","","","0.1054","0.1078","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230305","15.2535","0.0005","10.6912","0.0004","20.9236","0.0007","90","","96.498","0.002","90","","3390.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ-1,3-Dioxo-1,3-bis(pyridin-2-yl)propane-2,2-diido- κ^2^<i>N</i>,<i>C</i>^2^:κ^2^<i>C</i>^2^,<i>N</i>']bis[(1,3- diphenylpropane-1,3-dionato- κ^2^<i>O</i>,<i>O</i>')palladium(II)](<i>Pd</i>—<i>Pd</i>)","","- C43 H30 N2 O6 Pd2 -","- C43 H30 N2 O6 Pd2 -","- C172 H120 N8 O24 Pd8 -","4","1","FF2010","Maggini, Simona; White, Peter S.","[μ-1,3-Dioxo-1,3-bis(pyridin-2-yl)propane-2,2-diido-κ^2^<i>N</i>,<i>C</i>^2^:κ^2^<i>C</i>^2^,<i>N</i>']bis[(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')palladium(II)](<i>Pd</i>—<i>Pd</i>)","Acta Crystallographica Section E","2011","67","6","m749","m750","10.1107/S1600536811017144","","","1.54178","CuKα","","0.0345","0.0296","","","0.0723","0.0746","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230306","20.915","0.0014","10.1565","0.0007","21.881","0.0014","90","","91.376","0.001","90","","4646.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","di-μ-chlorido-dichlorido-1κ^2^<i>Cl</i>-tetrakis(tetrahydrofuran)- 1κ^2^<i>O</i>,2κ^2^<i>O</i>-lithiumytterbium(III)","","- C16 H32 Cl4 Li O4 Yb -","- C16 H32 Cl4 Li O4 Yb -","- C128 H256 Cl32 Li8 O32 Yb8 -","8","1","FI2106","Richtera, Lukas; Jancik, Vojtech; Hermanova, Sona; Krpoun, Karel; Thompson-Montero, Kimberly","LiYbCl~4~(THF)~4~","Acta Crystallographica Section E","2011","67","6","m700","","10.1107/S1600536811014395","","","0.71073","MoKα","","0.0251","0.0234","","","0.0493","0.0499","","","","","","1.221","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2230307","10.1218","0.0019","4.142","0.0005","11.896","0.003","90","","116.897","0.014","90","","444.78","0.16","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Neodymium molybdenum borate","Neodymium(III) molybdenum(VI) borate","","- B Mo Nd O6 -","- B Mo Nd O6 -","- B4 Mo4 Nd4 O24 -","4","1","FI2107","Held, Peter; van der Wolf, Benjamin; Bohatý, Ladislav; Becker, Petra","Neodymium(III) molybdenum(VI) borate, NdBO~2~MoO~4~","Acta Crystallographica Section E","2011","67","6","i36","","10.1107/S1600536811017806","","","0.71073","MoKα","","0.0268","0.025","","","0.0619","0.0627","","","","","","1.224","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230308","9.385","0.005","10.863","0.005","10.927","0.005","112.949","0.005","103.984","0.005","96.641","0.005","967.6","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-Benzoyl-<i>N</i>'-(1,10-phenanthrolin-5-yl)thiourea dichloromethane hemisolvate monohydrate","","- C20.5 H17 Cl N4 O2 S -","- C20 H16 N4 O2 S -","- C40 H32 N8 O4 S2 -","2","1","FJ2403","Mat Rashid, Fatisha Liyana; Heng, Lee Yook; Daran, Jean-Claude; Kassim, Mohammad B.","<i>N</i>-Benzoyl-<i>N</i>'-(1,10-phenanthrolin-5-yl)thiourea dichloromethane hemisolvate monohydrate","Acta Crystallographica Section E","2011","67","6","o1397","o1398","10.1107/S160053681101734X","","","0.71073","MoKα","","0.0644","0.0494","","","0.1323","0.139","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230309","10.1556","0.0001","13.4799","0.0002","14.771","0.0002","81.103","0.001","75.631","0.001","84.465","0.001","1931.71","0.04","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')terbate(III)","","- C36 H24 Cl Cu N10 O12 Tb -","- C36 H24 Cl Cu N10 O12 Tb -","- C72 H48 Cl2 Cu2 N20 O24 Tb2 -","2","1","FJ2415","Gao, Guo-Ran; Man, Hong-Xue; Xiao, Zhi-Chang; Deng, Yu-Heng","Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')terbate(III)","Acta Crystallographica Section E","2011","67","6","m787","m788","10.1107/S160053681101837X","","","0.71073","MoKα","","0.0568","0.0353","","","0.07","0.0779","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230310","6.7457","0.0002","9.0234","0.0003","13.0165","0.0004","104.148","0.002","98.066","0.002","108.695","0.002","706.81","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","<i>S</i>,<i>S</i>'-(Pyridazine-3,6-diyl)dithiouronium dichloride methanol monosolvate","{Amino[(6-{[amino(iminiumyl)methyl]sulfanyl}pyridazin-3- yl)sulfanyl]methylidene}azanium dichloride methanol monosolvate","","- C7 H14 Cl2 N6 O S2 -","- C7 H14 Cl2 N6 O S2 -","- C14 H28 Cl4 N12 O2 S4 -","2","1","FJ2416","Hübscher, Jörg; Izotova, Lidiya; Talipov, Samat; Katzsch, Felix; Weber, Edwin","<i>S</i>,<i>S</i>'-(Pyridazine-3,6-diyl)dithiouronium dichloride methanol monosolvate","Acta Crystallographica Section E","2011","67","6","o1477","","10.1107/S1600536811018514","","","0.71073","MoKα","","0.0379","0.0299","","","0.0723","0.0745","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230311","10.6326","0.0003","12.0735","0.0003","14.7824","0.0004","90","","113.133","0.002","90","","1745.08","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[(1,3-Benzothiazol-2-yl)aminocarbonyl]methyl} piperidine-1-carbodithioate monohydrate","","- C15 H19 N3 O2 S3 -","- C15 H19 N3 O2 S3 -","- C60 H76 N12 O8 S12 -","4","1","FJ2417","Lu, Xu-Jia; Zhao, Hong-Bin; Chen, Liang; Yang, De-Liang; Wang, Bang-Ying","[(1,3-Benzothiazol-2-yl)aminocarbonyl]methyl piperidine-1-carbodithioate monohydrate","Acta Crystallographica Section E","2011","67","6","o1488","","10.1107/S1600536811018460","","","0.71073","MoKα","","0.039","0.0336","","","0.0905","0.0948","","","","","","1.105","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230312","9.4577","0.0004","9.4577","0.0004","15.8301","0.0013","90","","90","","120","","1226.27","0.12","296","2","296","2","101","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Silver(I) diaquamagnesium <i>catena</i>-borodiphosphate(V) monohydrate","","- Ag B H6 Mg O11 P2 -","- Ag B H6 Mg O11 P2 -","- Ag6 B6 H36 Mg6 O66 P12 -","6","0.5","FJ2421","Zouihri, Hafid; Saadi, Mohammed; Jaber, Boujemaa; El Ammari, Lehcen","Silver(I) diaquamagnesium <i>catena</i>-borodiphosphate(V) monohydrate, AgMg(H~2~O)~2~[BP~2~O~8~]·H~2~O","Acta Crystallographica Section E","2011","67","6","i39","","10.1107/S1600536811019477","","","0.71073","MoKα","","0.0373","0.0365","","","0.0998","0.1006","","","","","","1.101","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230313","10.716","0.002","8.1112","0.0018","18.601","0.005","90","","106.486","0.003","90","","1550.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine","","- C15 H10 Cl2 N4 O2 -","- C15 H10 Cl2 N4 O2 -","- C60 H40 Cl8 N16 O8 -","4","1","FL2331","Ren, Tian-tian; Zhang, Zhong; Zhong, Cong-cong; Yang, Zhong-zhi; Shi, Zhan-wang","4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine","Acta Crystallographica Section E","2011","67","6","o1334","","10.1107/S160053681101419X","","","0.71073","MoKα","","0.0498","0.0424","","","0.1074","0.1136","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230314","9.7132","0.0002","11.2624","0.0002","13.5369","0.0002","90","","90","","90","","1480.85","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[3-(3-sulfonatopyridin-1-ium-4-yl)propyl]pyridin-1-ium-3-sulfonate","","- C13 H14 N2 O6 S2 -","- C13 H14 N2 O6 S2 -","- C52 H56 N8 O24 S8 -","4","1","FL2337","Kuyinu, Ore; Purdy, Andrew P.; Butcher, Ray J.","Sulfonated 1,3-bis(4-pyridyl)propane","Acta Crystallographica Section E","2011","67","6","o1534","","10.1107/S1600536811018563","","","1.54178","CuKα","","0.0398","0.038","","","0.1042","0.1056","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230315","11.709","0.003","8.8521","0.0018","12.439","0.003","90","","112.459","0.007","90","","1191.5","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Hydroxy-5-nitrophenyl)methanesulfonamide ethanol monosolvate","","- C9 H14 N2 O6 S -","- C9 H14 N2 O6 S -","- C36 H56 N8 O24 S4 -","4","1","FL2343","Li, Hong-Ming; Cai, Zhi-Qiang; Li, Yi-Liang; Zhang, Shi-Yu","<i>N</i>-(2-Hydroxy-5-nitrophenyl)methanesulfonamide ethanol monosolvate","Acta Crystallographica Section E","2011","67","6","o1383","","10.1107/S1600536811017090","","","0.71073","MoKα","","0.0375","0.0295","","","0.0771","0.0792","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230316","9.2358","0.0005","11.8559","0.0006","23.5218","0.0012","75.81","0.004","80.326","0.004","79.288","0.004","2433.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-3,3'-dimethoxybiphenyl-4,4'- diamine","","- C28 H22 Cl2 N2 O2 -","- C28 H22 Cl2 N2 O2 -","- C112 H88 Cl8 N8 O8 -","4","2","FL2345","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-3,3'-dimethoxybiphenyl-4,4'-diamine","Acta Crystallographica Section E","2011","67","6","o1296","o1297","10.1107/S1600536811015467","","","0.71073","MoKα","","0.1021","0.0531","","","0.1102","0.1254","","","","","","0.98","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230317","12.504","0.002","13.414","0.004","14.763","0.002","102.736","0.003","111.676","0.002","104.066","0.003","2095.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one","","- C26 H21 Cl2 N O -","- C26 H21 Cl2 N O -","- C104 H84 Cl8 N4 O4 -","4","2","FL2348","Nesterov, Volodymyr V.; Sarkisov, Sergey S.; Shulaev, Vladimir; Nesterov, Vladimir N.","1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one","Acta Crystallographica Section E","2011","67","6","o1505","o1506","10.1107/S1600536811018587","","","0.71073","MoKα","","0.0468","0.0386","","","0.1016","0.1081","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230318","5.3221","0.0002","5.8369","0.0002","10.5564","0.0005","98.2","0.003","90.78","0.003","96.849","0.003","322.1","0.02","296","2","296","2","","","","","","","","5","P 1","P 1","1","","(<i>S</i>)-2-[(2-Hydroxybenzyl)azaniumyl]-4-(methylsulfanyl)butanoate","","- C12 H17 N O3 S -","- C12 H17 N O3 S -","- C12 H17 N O3 S -","1","1","FY2002","Brancatelli, Giovanna; Bruno, Giuseppe; Nicoló, Francesco; Canfora, Loredana; Ruisi, Giuseppe","(<i>S</i>)-2-[(2-Hydroxybenzyl)azaniumyl]-4-(methylsulfanyl)butanoate","Acta Crystallographica Section E","2011","67","6","o1366","o1367","10.1107/S1600536811016564","","","0.71073","MoKα","","0.0719","0.059","","","","0.179","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230319","4.6051","0.0002","6.0189","0.0002","22.2172","0.0008","88.393","0.002","88.521","0.002","78.044","0.002","602.09","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","4,4'-Methylenebis{<i>N</i>-[(<i>E</i>)-quinolin-2-ylmethylidene]aniline}","","- C33 H24 N4 -","- C33 H24 N4 -","- C33 H24 N4 -","1","1","FY2004","Djamel, Daoud; Tahar, Douadi; Djahida, Haffar; Hanane, Hammani; Salah, Chafaa","4,4'-Methylenebis{<i>N</i>-[(<i>E</i>)-quinolin-2-ylmethylidene]aniline}","Acta Crystallographica Section E","2011","67","6","o1318","","10.1107/S1600536811016011","","","0.71073","MoKα","","0.0407","0.0348","","","0.0833","0.0867","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230320","9.0625","0.0002","5.5777","0.0002","23.2349","0.0006","90","","90","","90","","1174.48","0.06","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[1-(3-Aminophenylimino)ethyl]phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","FY2009","Blagus, Anita; Kaitner, Branko","2-[1-(3-Aminophenylimino)ethyl]phenol","Acta Crystallographica Section E","2011","67","6","o1423","","10.1107/S1600536811017624","","","0.71069","MoKα","","0.0364","0.0304","","","0.079","0.0867","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230321","8.267","0.004","10.375","0.005","11.368","0.005","109.128","0.007","93.269","0.007","104.842","0.007","879.8","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 1-(4-chlorobenzyl)-3-(4-fluorophenyl)-1<i>H</i>-pyrazole-5-carboxylate","","- C19 H16 Cl F N2 O2 -","- C19 H16 Cl F N2 O2 -","- C38 H32 Cl2 F2 N4 O4 -","2","1","FY2010","Ge, Yan Qing; Zhang, Ji Mei; Wang, Guang Liang; Xu, Hao; Shi, Bo","Ethyl 1-(4-chlorobenzyl)-3-(4-fluorophenyl)-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2011","67","6","o1387","","10.1107/S1600536811017156","","","0.71073","MoKα","","0.0488","0.0415","","","0.1096","0.1173","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230322","35.261","0.002","9.3563","0.0006","27.9406","0.0018","90","","107.303","0.001","90","","8800.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-4-<i>tert</i>-butylbenzoato)-κ^4^<i>O</i>:<i>O</i>'; κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[aqua(4-<i>tert</i>-butylbenzoato-κ^2^<i>O</i>,<i>O</i>')(4-<i>tert</i>- butylbenzoic acid-κ<i>O</i>)neodymium(III)]","","- C88 H110 Nd2 O18 -","- C88 H110 Nd2 O18 -","- C352 H440 Nd8 O72 -","4","1","GK2367","Yang, Juan; Dai, Jun","Tetrakis(μ-4-<i>tert</i>-butylbenzoato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aqua(4-<i>tert</i>-butylbenzoato-κ^2^<i>O</i>,<i>O</i>')(4-<i>tert</i>-butylbenzoic acid-κ<i>O</i>)neodymium(III)]","Acta Crystallographica Section E","2011","67","6","m666","m667","10.1107/S1600536811015194","","","0.71073","MoKα","","0.0883","0.0607","","","0.1354","0.1495","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230323","12.775","0.0006","13.587","0.0007","16.492","0.0009","90","","90","","90","","2862.6","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Chloro-5-cyclopropyl-9-methyl-5<i>H</i>-4,5,6,10- tetraazadibenzo[<i>a</i>,<i>d</i>]cyclohepten-11(10<i>H</i>)-one","","- C15 H13 Cl N4 O -","- C15 H13 Cl N4 O -","- C120 H104 Cl8 N32 O8 -","8","1","GK2369","Naveen, S.; Thimmegowda, N. R.; Manjunath, H. R.; Sridhar, M. A.; Prasad, J. Shashidhara; Rangappa, K. S.","7-Chloro-5-cyclopropyl-9-methyl-5<i>H</i>-4,5,6,10-tetraazadibenzo[<i>a</i>,<i>d</i>]cyclohepten-11(10<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1445","o1446","10.1107/S1600536811018022","","","0.71073","MoKα","","0.0476","0.0402","","","0.1081","0.1136","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230324","13.127","0.002","9.5571","0.0014","6.7557","0.001","90","","99.587","0.002","90","","835.7","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-1<i>H</i>-benzimidazole-5,6-dicarboxylato)lead(II)]","","- C9 H4 N2 O4 Pb -","- C9 H4 N2 O4 Pb -","- C36 H16 N8 O16 Pb4 -","4","1","GO2009","Chen, Jinhua; Zheng, Chun; Wang, Yuezhu; Yun, Tingting; Luo, Yifan","Poly[(μ-1<i>H</i>-benzimidazole-5,6-dicarboxylato)lead(II)]","Acta Crystallographica Section E","2011","67","6","m755","","10.1107/S1600536811017065","","","0.71073","MoKα","","0.0451","0.0415","","","0.1159","0.1195","","","","","","1.076","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230325","8.0376","0.0011","12.06","0.0017","20.324","0.003","90","","90","","90","","1970.1","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>S</i>)-[(<i>R</i>)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] 2-ethynylcyclopropane-1-carboxylate","","- C26 H18 O3 -","- C26 H18 O3 -","- C104 H72 O12 -","4","1","GW2095","Fan, Jinlong; Qin, Zhaohai","(1<i>R</i>,2<i>S</i>)-[(<i>R</i>)-1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-yl] 2-ethynylcyclopropane-1-carboxylate","Acta Crystallographica Section E","2011","67","6","o1342","","10.1107/S1600536811011627","","","1.54186","CuKα","","0.0336","0.0319","","","0.0723","0.0735","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230326","3.7655","0.0002","13.966","0.0007","13.23","0.0007","90","","98.034","0.003","90","","688.92","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-6-fluorobenzoic acid","","- C7 H4 Cl F O2 -","- C7 H4 Cl F O2 -","- C28 H16 Cl4 F4 O8 -","4","1","GW2099","Betz, Richard; Gerber, Thomas","2-Chloro-6-fluorobenzoic acid","Acta Crystallographica Section E","2011","67","6","o1329","","10.1107/S1600536811016734","","","0.71073","MoKα","","0.0501","0.0318","","","0.0746","0.0812","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230327","9.7797","0.0007","5.4646","0.0004","20.6959","0.0015","90","","96.986","0.001","90","","1097.82","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","TIQester","(1<i>S</i>,3<i>S</i>)-Methyl 2-benzyl-6,7-dimethoxy- 1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C52 H54 N2 O8 -","2","1","GW2101","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik. G.; Maguire, Glenn. E. M.","(1<i>S</i>,3<i>S</i>)-Methyl 2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","Acta Crystallographica Section E","2011","67","6","o1403","","10.1107/S1600536811017430","","","0.71073","MoKα","","0.0358","0.0314","","","0.0832","0.0866","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230328","10.8928","0.0001","11.9656","0.0001","14.3572","0.0002","90","","111.633","0.001","90","","1739.5","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(Phthalimido)ethyl ether","2-{2-[2-(1,3-Dioxoisoindol-2-yl)ethoxy]ethyl}isoindole-1,3-dione","","- C20 H16 N2 O5 -","- C20 H16 N2 O5 -","- C80 H64 N8 O20 -","4","1","GW2102","Talipov, Samat; Yuldashev, Abdurasul; Karimov, Zakirjon; Turgunov, Kambarali; Ibragimov, Bakhtiyar","2-{2-[2-(1,3-Dioxoisoindol-2-yl)ethoxy]ethyl}isoindole-1,3-dione","Acta Crystallographica Section E","2011","67","6","o1487","","10.1107/S1600536811018496","","","1.5418","CuKα","","0.0429","0.0378","","","0.1114","0.1148","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230329","19.5365","0.0012","16.3544","0.001","21.3272","0.0013","90","","90","","90","","6814.2","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis(μ-2-<i>tert</i>-butylphenylimido-1:2κ^2^<i>N</i>:<i>N</i>)chlorido- 2κ<i>Cl</i>-(diethyl ether-1κ<i>O</i>)(2η^5^- pentamethylcyclopentadienyl)lithiumtantalum(V)","","- C34 H51 Cl Li N2 O Ta -","- C34 H51 Cl Li N2 O Ta -","- C272 H408 Cl8 Li8 N16 O8 Ta8 -","8","1","HB5832","Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.","Bis(μ-2-<i>tert</i>-butylphenylimido-1:2κ^2^<i>N</i>:<i>N</i>)chlorido-2κ<i>Cl</i>-(diethyl ether-1κ<i>O</i>)(2η^5^-pentamethylcyclopentadienyl)lithiumtantalum(V)","Acta Crystallographica Section E","2011","67","6","m688","m689","10.1107/S1600536811015650","","","0.71073","MoKα","","0.0538","0.0525","","","0.1049","0.1054","","","","","","1.231","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230330","15.388","0.002","15.768","0.002","16.453","0.002","94.81","0.01","112.86","0.01","117.65","0.01","3083.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,3-dimesitylimidazolyl)gold(I) 2,4,8,10-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora- 6-borataspiro[5.5]undecane","","- C66 H68 Au B5 N4 O6 -","- C66 H68 Au B5 N4 O6 -","- C132 H136 Au2 B10 N8 O12 -","2","1","HB5850","Möhlmann, Lennart; Wendt, Ola F.; Johnson, Magnus T.","Bis(1,3-dimesitylimidazolyl)gold(I) 2,4,8,10-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora-6-borataspiro[5.5]undecane","Acta Crystallographica Section E","2011","67","6","m719","m720","10.1107/S1600536811016357","","","0.71073","MoKα","","0.0729","0.0456","","","0.1269","0.1517","","","","","","1.076","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230331","17.8778","0.0002","16.6364","0.0002","13.2655","0.0001","90","","92.642","0.001","90","","3941.26","0.07","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[[bis(3-hydroxyadamantane-1-carboxylato- κ<i>O</i>^1^)(3-hydroxyadamantane-1-carboxylic acid-κ<i>O</i>^1^)zinc(II)]- μ~2~-4,4'-bipyridine] monohydrate]","","- C43 H56 N2 O10 Zn -","- C43 H56 N2 O10 Zn -","- C172 H224 N8 O40 Zn4 -","4","1","HB5859","Shen, Jin-Bei; Guan, Quan-Yin; Chen, Xiao-Ju; Zhao, Guo-Liang","<i>catena</i>-Poly[[[bis(3-hydroxyadamantane-1-carboxylato-κ<i>O</i>^1^)(3-hydroxyadamantane-1-carboxylic acid-κ<i>O</i>^1^)zinc(II)]-μ~2~-4,4'-bipyridine] monohydrate]","Acta Crystallographica Section E","2011","67","6","m715","m716","10.1107/S1600536811016424","","","0.71073","MoKα","","0.045","0.0379","","","0.0902","0.0944","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230332","7.1488","0.0005","11.2799","0.0007","17.6271","0.0011","103.181","0.006","98.087","0.006","92.407","0.006","1366.15","0.16","288.15","","288.15","","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-3,5-bis(4-methylbenzylidene)-4-oxopiperidin-1-ium chloride acetic acid monosolvate","","- C30 H32 Cl N O3 -","- C30 H32 Cl N O3 -","- C60 H64 Cl2 N2 O6 -","2","1","HB5860","Sun, Ju-feng; Xing, Juan; Han, Jing-tian","1-Benzyl-3,5-bis(4-methylbenzylidene)-4-oxopiperidin-1-ium chloride acetic acid monosolvate","Acta Crystallographica Section E","2011","67","6","o1350","","10.1107/S1600536811016138","","","0.7107","MoKα","","0.0773","0.0536","","","0.1398","0.1575","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230333","5.94","0.003","12.661","0.006","15.921","0.007","90","","90","","90","","1197.4","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>*,3a<i>R</i>*)-3-(3-furanyl)-3a,4,5,6- tetrahydro-3a,7-dimethyl-2-benzofuran-1(3<i>H</i>)-one","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","HB5863","Gu, Hong-Mei; Xu, Hao; Zhong, Zhao-Zhao; Zhu, Hai-Liang; Li, Qing-Shan","Fraxinellone","Acta Crystallographica Section E","2011","67","6","o1472","","10.1107/S1600536811018393","","","0.71073","MoKα","","0.0651","0.0458","","","0.1034","0.1125","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230334","7.1056","0.0009","11.3608","0.0015","15.3334","0.0019","90","","90","","90","","1237.8","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Diaqua(2,2'-bipyridine-6,6'-dicarboxylato)nickel(II)","","- C12 H10 N2 Ni O6 -","- C12 H10 N2 Ni O6 -","- C48 H40 N8 Ni4 O24 -","4","0.5","HB5864","Hu, Shui; Wen, ShiPeng; Hu, Huai-Ming; Liu, Li","Diaqua(2,2'-bipyridine-6,6'-dicarboxylato)nickel(II)","Acta Crystallographica Section E","2011","67","6","m718","","10.1107/S1600536811016400","","","0.71073","MoKα","","0.0386","0.0322","","","0.0784","0.0816","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230335","14.1522","0.0008","7.3203","0.0004","14.7193","0.0008","90","","104.892","0.002","90","","1473.68","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-Chloro-4-(2-iodobenzenesulfonamido)benzoic acid","","- C13 H9 Cl I N O4 S -","- C13 H9 Cl I N O4 S -","- C52 H36 Cl4 I4 N4 O16 S4 -","4","1","HB5865","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Rafique, H. M.; Asiri, Abdullah M.; Shafiq, Muhammad","2-Chloro-4-(2-iodobenzenesulfonamido)benzoic acid","Acta Crystallographica Section E","2011","67","6","o1327","","10.1107/S1600536811016412","","","0.71073","MoKα","","0.1298","0.0538","","","0.1045","0.1289","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230336","6.9419","0.0001","11.4409","0.0002","14.1703","0.0003","90","","90","","90","","1125.43","0.03","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(2-Methoxyphenyl)-1-benzofuran","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","HB5866","Pojarová, Michaela; Dušek, Michal; Jančařík, Andrej; Makrlík, Emanuel; Sedláková, Zdeňka","2-(2-Methoxyphenyl)-1-benzofuran","Acta Crystallographica Section E","2011","67","6","o1427","","10.1107/S1600536811017168","","","1.5418","CuKα","","0.0342","0.0334","","","0.0869","0.088","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230337","13.393","0.0011","14.174","0.0016","14.571","0.0015","90","","90","","90","","2766","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(2-Hydroxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-en-1-one","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","HB5868","Vijay Kumar, D.; Thippeswamy, G. B.; Jayashree, B. S.; Sridhar, M. A.","1-(2-Hydroxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1492","","10.1107/S1600536811018381","","","0.71073","MoKα","","0.1063","0.073","","","0.1746","0.2091","","","","","","1.146","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230338","15.9282","0.0003","6.1123","0.0002","18.3315","0.0004","90","","90","","90","","1784.72","0.08","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,4'-Dibromo-2,2'-{ethane-1,2-diylbis[(methylimino)methylene]}diphenol","","- C18 H22 Br2 N2 O2 -","- C18 H22 Br2 N2 O2 -","- C72 H88 Br8 N8 O8 -","4","0.5","HB5874","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","4,4'-Dibromo-2,2'-{ethane-1,2-diylbis[(methylimino)methylene]}diphenol","Acta Crystallographica Section E","2011","67","6","o1391","","10.1107/S1600536811017193","","","1.5418","CuKα","","0.0232","0.0213","","","0.0726","0.0745","","","","","","1.52","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230339","7.3038","0.0019","11.467","0.003","12.184","0.003","92.368","0.003","92.067","0.003","102.34","0.003","995","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","3-[(<i>E</i>)-1-(Benzyloxyimino)ethyl]-7-(3-methylbut-2-enyloxy)- 2<i>H</i>-chromen-2-one","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","1","HB5875","Wang, Hui; He, Li-juan; Zheng, Wei-hua; Song, Hua-can","3-[(<i>E</i>)-1-(Benzyloxyimino)ethyl]-7-(3-methylbut-2-enyloxy)-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","6","o1516","","10.1107/S1600536811019015","","","0.71073","MoKα","","0.0864","0.0522","","","0.1329","0.1546","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230340","17.593","0.004","5.7722","0.0012","13.319","0.003","90","","105.71","0.03","90","","1302","0.5","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[4-(Iodomethyl)cyclohexyl]-4-methylbenzene","","- C14 H19 I -","- C14 H19 I -","- C56 H76 I4 -","4","1","HB5876","Wang, Juan; Duan, Erhong; Zhou, Erpeng; Yao, Qingguo; Zhang, Wenna","1-[4-(Iodomethyl)cyclohexyl]-4-methylbenzene","Acta Crystallographica Section E","2011","67","6","o1414","","10.1107/S160053681101765X","","","0.71073","MoKα","","0.0301","0.0284","","","0.0729","0.0738","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230341","8.294","0.0003","13.2368","0.0004","23.8063","0.0007","90","","104.995","0.003","90","","2524.6","0.14","119.9","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,6-diaminopyridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) monohydrate","","- C24 H24 N8 O9 Zn -","- C24 H24 N8 O9 Zn -","- C96 H96 N32 O36 Zn4 -","4","1","HB5879","Tabatabaee, Masoumeh; Tahriri, Marjan; Tahriri, Mozhgan; Dušek, Michal; Fejfarová, Karla","Bis(2,6-diaminopyridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) monohydrate","Acta Crystallographica Section E","2011","67","6","m769","m770","10.1107/S1600536811018204","","","1.5418","CuKα","","0.0257","0.0236","","","0.0757","0.0774","","","","","","1.61","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230342","10.853","0.003","13.151","0.003","13.654","0.003","90","","105.215","0.006","90","","1880.5","0.8","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[4'-(4-Aminophenyl)-2,2':6',2''-terpyridine]chloridopalladium(II) chloride","","- C21 H16 Cl2 N4 Pd -","- C21 H16 Cl2 N4 Pd -","- C84 H64 Cl8 N16 Pd4 -","4","1","HB5880","Thomas, John C.; Tiekink, Edward R. T.; Walmsley, Judith A.","[4'-(4-Aminophenyl)-2,2':6',2''-terpyridine]chloridopalladium(II) chloride","Acta Crystallographica Section E","2011","67","6","m773","m774","10.1107/S1600536811018125","","","0.7107","MoKα","","0.1148","0.0978","","","0.2237","0.2393","","","","","","1.162","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230343","9.1057","0.0003","12.7031","0.0004","21.3874","0.0005","90","","90","","90","","2473.89","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","1","HB5881","Gündoğdu, Cevher; Göçmentürk, Mustafa; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer","Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate","Acta Crystallographica Section E","2011","67","6","o1470","o1471","10.1107/S1600536811018678","","","0.71073","MoKα","","0.0599","0.0416","","","0.0935","0.1022","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230344","13.9012","0.0003","9.9763","0.0002","23.8147","0.0005","90","","103.203","0.001","90","","3215.38","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[4-amino-<i>N</i>-(pyrimidin-2- yl)benzenesulfonamidato]-κ^2^<i>N</i>,<i>N</i>';κ<i>N</i>- aquabis(dimethylformamide-κ<i>O</i>)cadmium(II) monohydrate","","- C26 H36 Cd N10 O8 S2 -","- C26 H36 Cd N10 O8 S2 -","- C104 H144 Cd4 N40 O32 S8 -","4","1","HB5888","Hossain, G. M. Golzar","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato]-κ^2^<i>N</i>,<i>N</i>';κ<i>N</i>-aquabis(dimethylformamide-κ<i>O</i>)cadmium(II) monohydrate","Acta Crystallographica Section E","2011","67","6","m805","m806","10.1107/S1600536811019635","","","0.71073","MoKα","","0.0611","0.0417","","","0.091","0.0988","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230345","12.3562","0.0011","17.0404","0.0015","8.6175","0.001","90","","110.155","0.002","90","","1703.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-<i>N</i>'-[(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide","","- C19 H15 Br N2 O2 -","- C19 H15 Br N2 O2 -","- C76 H60 Br4 N8 O8 -","4","1","HB5889","Li, He-Bing","3-Bromo-<i>N</i>'-[(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","6","o1532","","10.1107/S1600536811019349","","","0.71073","MoKα","","0.1389","0.0523","","","0.1012","0.132","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230346","8.5313","0.0017","6.5413","0.0013","16.167","0.003","90","","97.37","0.03","90","","894.8","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)- 5-hydroxy-6-methoxypyrimidine-4-carboxylate","","- C18 H21 N3 O6 -","- C18 H21 N3 O6 -","- C36 H42 N6 O12 -","2","1","HG5023","Shang, Zhenhua; Qi, Shan; Tao, Xiao; Zhang, Guangbo","Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-6-methoxypyrimidine-4-carboxylate","Acta Crystallographica Section E","2011","67","6","o1335","","10.1107/S160053681101628X","","","0.71073","MoKα","","0.0513","0.0393","","","0.0828","0.0883","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230347","14.3025","0.001","14.3752","0.001","21.9143","0.0016","101.88","0.0009","103.676","0.001","119.683","0.0008","3514.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(dimethyl sulfoxide-κ<i>O</i>)cerium(III)]tris(μ~2~-3,5-dinitrobenzoato- κ^2^<i>O</i>:<i>O</i>')]","","- C25 H21 Ce N6 O20 S2 -","- C25 H21 Ce N6 O20 S2 -","- C100 H84 Ce4 N24 O80 S8 -","4","2","HG5026","Zhou, Fu-Lin; Du, Zhi-Hua; Ng, Seik Weng","<i>catena</i>-Poly[[bis(dimethyl sulfoxide-κ<i>O</i>)cerium(III)]tris(μ~2~-3,5-dinitrobenzoato-κ^2^<i>O</i>:<i>O</i>')]","Acta Crystallographica Section E","2011","67","6","m673","","10.1107/S1600536811015947","","","0.71073","MoKα","","0.054","0.0379","","","0.089","0.0991","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230348","19.9288","0.0019","5.0416","0.0005","24.9155","0.0019","90","","111.339","0.003","90","","2331.7","0.4","198","1","198","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(pyridine)lead(II)]bis(μ-pentafluorobenzenethiolato)]","","- C22 H10 F10 N2 Pb S2 -","- C22 H10 F10 N2 Pb S2 -","- C88 H40 F40 N8 Pb4 S8 -","4","0.5","HG5027","Appleton, Sarah E.; Briand, Glen G.; Decken, Andreas; Smith, Anita S.","<i>catena</i>-Poly[[bis(pyridine)lead(II)]bis(μ-pentafluorobenzenethiolato)]","Acta Crystallographica Section E","2011","67","6","m714","","10.1107/S160053681101659X","","","0.71073","MoKα","","0.0422","0.0402","","","0.0956","0.0966","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230349","12.1342","0.0003","20.4224","0.0005","8.1812","0.0002","90","","94.692","0.002","90","","2020.58","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dimethyl sulfoxide-κ<i>O</i>)(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')[2-(2- oxidobenzylideneamino)phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']manganese(III)","","- C22 H20 Mn N O5 S -","- C22 H20 Mn N O5 S -","- C88 H80 Mn4 N4 O20 S4 -","4","1","HG5028","Raja, Inba; Lo, Kong Mun; Ng, Seik Weng","(Dimethyl sulfoxide-κ<i>O</i>)(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')[2-(2-oxidobenzylideneamino)phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']manganese(III)","Acta Crystallographica Section E","2011","67","6","m674","","10.1107/S1600536811015935","","","0.71073","MoKα","","0.0929","0.0576","","","0.115","0.1291","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230350","5.9478","0.0007","9.5869","0.001","10.7775","0.0011","114.307","0.008","90.481","0.009","97.812","0.009","553.46","0.11","296","","296","","","","","","","","","6","P -1","-P 1","2","","(3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-7a-Bromo-2-methylsulfonyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole","","- C9 H12 Br N O3 S -","- C9 H12 Br N O3 S -","- C18 H24 Br2 N2 O6 S2 -","2","1","HG5029","Temel, Ersin; Demircan, Aydın; Arslan, Hakan; Büyükgüngör, Orhan","(3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-7a-Bromo-2-methylsulfonyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole","Acta Crystallographica Section E","2011","67","6","o1304","o1305","10.1107/S1600536811015959","","","0.71073","MoKα","","0.0602","0.0469","","","0.1008","0.1068","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230351","12.57","0.012","8.009","0.008","18.091","0.017","90","","100.544","0.015","90","","1791","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxy-2-methylanilino)-1,2-diphenylethanone","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","HG5030","Arslan, Hakan; Algul, Oztekin; Zirek, Selin; Tari, Ozden; Demircan, Aydın; Hardcastle, Kenneth I.","2-(4-Methoxy-2-methylanilino)-1,2-diphenylethanone","Acta Crystallographica Section E","2011","67","6","o1303","","10.1107/S1600536811015960","","","0.71073","MoKα","","0.066","0.042","","","0.0973","0.1115","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230352","5.4765","0.0001","21.9984","0.0006","15.0007","0.0004","90","","92.774","0.002","90","","1805.08","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6,7-Dimethoxy-3-methoxycarbonyl-1-(2-methoxyphenyl)-3,4-dihydroisoquinoline 2-oxide","6,7-dimethoxy-3-(methoxycarbonyl)-1-(2-methoxyphenyl)- 3,4-dihydroisoquinolin-2-ium-2-olate","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C80 H84 N4 O24 -","4","1","HG5031","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","6,7-Dimethoxy-3-methoxycarbonyl-1-(2-methoxyphenyl)-3,4-dihydroisoquinoline 2-oxide","Acta Crystallographica Section E","2011","67","6","o1352","","10.1107/S1600536811016539","","","0.71073","MoKα","","0.0705","0.0531","","","0.1443","0.1566","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230353","8.6999","0.0002","14.1805","0.0003","9.1392","0.0003","90","","90","","90","","1127.49","0.05","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Methyl-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","HG5032","Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.","5-Methyl-7,8,9,10-tetrahydrocyclohepta[<i>b</i>]indol-6(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1325","","10.1107/S1600536811016229","","","1.54184","CuKα","","0.0381","0.0368","","","0.1043","0.1064","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230354","11.3345","0.0001","19.1439","0.0003","8.6779","0.0001","90","","95.802","0.001","90","","1873.34","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-[({[(3-Methylphenyl)methyl]sulfanyl}methanethioyl)amino](1- phenylpentylidene)amine","","- C20 H24 N2 S2 -","- C20 H24 N2 S2 -","- C80 H96 N8 S8 -","4","1","HG5033","Paulus, Georgiana; Crouse, Karen A.; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","(<i>E</i>)-[({[(3-Methylphenyl)methyl]sulfanyl}methanethioyl)amino](1-phenylpentylidene)amine","Acta Crystallographica Section E","2011","67","6","o1370","o1371","10.1107/S1600536811016965","","","1.5418","CuKα","","0.0351","0.0333","","","0.0906","0.0917","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230355","10.0971","0.0014","15.264","0.002","16.22","0.002","90","","90","","90","","2499.9","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","9-[(2-Chlorobenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9- tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","","- C29 H28 Cl N O7 -","- C29 H28 Cl N O7 -","- C116 H112 Cl4 N4 O28 -","4","1","HG5035","Zhu, Tie-Liang; Jin, Jie-Ru; Chen, Hong; Chen, Li-Ting; Liu, Jing","9-[(2-Chlorobenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1491","","10.1107/S1600536811018289","","","0.71073","MoKα","","0.034","0.0313","","","0.0643","0.0655","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230356","8.1638","0.0005","8.2081","0.0005","13.1265","0.0018","84.353","0.016","85.789","0.013","80.736","0.014","862.43","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua[1-(4-carboxyphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^](pyridine- 2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) monohydrate","","- C17 H15 Cu N3 O8 -","- C17 H15 Cu N3 O8 -","- C34 H30 Cu2 N6 O16 -","2","1","HY2420","Kong, Fanzhen; Yu, Zhangyu","Aqua[1-(4-carboxyphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^](pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) monohydrate","Acta Crystallographica Section E","2011","67","6","m783","","10.1107/S1600536811015522","","","0.71073","MoKα","","0.0409","0.0358","","","0.0921","0.0962","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230357","11.5565","0.0014","14.8537","0.0014","27.983","0.003","90","","97.577","0.002","90","","4761.5","0.9","292","2","292","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Chlorido[1-(diphenylphosphanyl)cobaltocenium]gold(I) hexafluoridophosphate","","- C22 H19 Au Cl Co F6 P2 -","- C22 H19 Au Cl Co F6 P2 -","- C176 H152 Au8 Cl8 Co8 F48 P16 -","8","1","HY2423","Wu, Xiang-Hua","Chlorido[1-(diphenylphosphanyl)cobaltocenium]gold(I) hexafluoridophosphate","Acta Crystallographica Section E","2011","67","6","m798","","10.1107/S1600536811018769","","","0.71073","MoKα","","0.0512","0.0476","","","0.1224","0.1246","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230358","7.6529","0.0005","9.3969","0.0006","14.0198","0.0009","74.41","0.001","87.06","0.002","71.581","0.001","920.75","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[dibromidocadmium]-μ-1,1'-(butane-1,4- diyl)bis(pyridinium-4-carboxylate)] monohydrate]","","- C16 H18 Br2 Cd N2 O5 -","- C16 H18 Br2 Cd N2 O5 -","- C32 H36 Br4 Cd2 N4 O10 -","2","1","HY2426","Guo, Feijun; Li, Yuan; Yang, Simin; Chen, Ruizhan","<i>catena</i>-Poly[[[dibromidocadmium]-μ~2~-1,1'-(butane-1,4-diyl)bis(pyridinium-4-carboxylate)] monohydrate]","Acta Crystallographica Section E","2011","67","6","m729","","10.1107/S160053681101662X","","","0.71073","MoKα","","0.046","0.0416","","","0.1154","0.1181","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230359","13.5194","0.0006","9.848","0.0005","14.3234","0.0007","90","","112.293","0.001","90","","1764.47","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato- κ^2^<i>O</i>,<i>O</i>']nickel(II)","","- C18 H16 N6 Ni O6 -","- C18 H16 N6 Ni O6 -","- C72 H64 N24 Ni4 O24 -","4","0.5","HY2427","Xu, Shuzhi; Shao, Wenxin; Yu, Miao; Gong, Guihua","Diaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']nickel(II)","Acta Crystallographica Section E","2011","67","6","m728","","10.1107/S1600536811016643","","","0.71073","MoKα","","0.0308","0.0295","","","0.0831","0.0839","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230360","7.9474","0.0004","9.9654","0.0005","13.7404","0.0007","110.392","0.001","102.921","0.001","90.635","0.001","989.47","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Tris(morpholinium) hexa-μ~3~-hydroxido-hexa-μ~2~-oxido- dodecaoxidohexamolybdenum(VI)chromate(III) tetrahydrate","","- C12 H44 Cr Mo6 N3 O31 -","- C12 H44 Cr Mo6 N3 O31 -","- C12 H44 Cr Mo6 N3 O31 -","1","0.5","HY2428","Yang, Yan-Yan; Song, Yu; Liu, Li-Ye; Qu, Xiao-Shu","Tris(morpholinium) hexa-μ~3~-hydroxido-hexa-μ~2~-oxido-dodecaoxidohexamolybdenum(VI)chromate(III) tetrahydrate","Acta Crystallographica Section E","2011","67","6","m776","","10.1107/S1600536811018149","","","0.71073","MoKα","","0.0287","0.0263","","","0.0802","0.0819","","","","","","1.085","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230361","7.3001","0.0004","7.9904","0.0005","9.8995","0.0006","85.343","0.001","73.243","0.001","79.032","0.001","542.61","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ<i>N</i>^1^]copper(II) dihydrate","","- C18 H24 Cu N6 O10 -","- C18 H24 Cu N6 O10 -","- C18 H24 Cu N6 O10 -","1","0.5","HY2429","Xu, Shuzhi; Shao, Wenxin; Yu, Miao; Gong, Guihua","Tetraaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ<i>N</i>^1^]copper(II) dihydrate","Acta Crystallographica Section E","2011","67","6","m777","","10.1107/S1600536811018356","","","0.71073","MoKα","","0.0344","0.0337","","","0.09","0.0906","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230362","9.1938","0.0009","10.7978","0.0008","11.5842","0.0007","85.238","0.006","72.96","0.007","69.76","0.008","1031.4","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ<i>O</i>^1^)(4,4'-dimethyl-2,2'- bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc","","- C21 H20 N2 O8 Zn -","- C21 H20 N2 O8 Zn -","- C42 H40 N4 O16 Zn2 -","2","1","HY2433","Mei, Chong-Zhen; Li, Kai-Hui; Shan, Wen-Wen","Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ<i>O</i>^1^)(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc","Acta Crystallographica Section E","2011","67","6","m804","","10.1107/S1600536811019519","","","0.71073","MoKα","","0.0377","0.0324","","","0.0856","0.0894","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230363","15.2859","0.0006","17.6577","0.0009","11.4818","0.0009","90","","90","","90","","3099.1","0.3","170","2","170","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Chloridotetrapyridinecopper(II) dicyanamidate pyridine disolvate","","- C32 H30 Cl Cu N9 -","- C32 H30 Cl Cu N9 -","- C128 H120 Cl4 Cu4 N36 -","4","0.5","IM2272","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Chloridotetrapyridinecopper(II) dicyanamidate pyridine disolvate","Acta Crystallographica Section E","2011","67","6","m695","","10.1107/S1600536811016187","","","0.71073","MoKα","","0.0427","0.0343","","","0.088","0.0927","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230364","10.2274","0.0009","10.7676","0.001","12.703","0.0011","90","","112.212","0.002","90","","1295.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane) bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)","","- C20 H26 N12 Ni S4 -","- C20 H26 N12 Ni S4 -","- C40 H52 N24 Ni2 S8 -","2","0.5","IM2281","Pan, Chen; Cai, Bin; Pei, Wen-Bo","Bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane) bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)","Acta Crystallographica Section E","2011","67","6","m730","","10.1107/S160053681101645X","","","0.71073","MoKα","","0.0695","0.0384","","","0.0696","0.0752","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230365","10.078","0.0003","22.7094","0.0006","11.2729","0.0003","90","","113.809","0.001","90","","2360.41","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Allyl-1-{[3-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl}-1<i>H</i>- anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","","- C28 H20 N4 O6 -","- C28 H20 N4 O6 -","- C112 H80 N16 O24 -","4","1","IM2283","Afrakssou, Zahra; Haoudi, Amal; Capet, Frédéric; Rolando, Christian; El Ammari, Lahcen","3-Allyl-1-{[3-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-yl]methyl}-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","Acta Crystallographica Section E","2011","67","6","o1363","o1364","10.1107/S1600536811016606","","","0.71073","MoKα","","0.0794","0.0396","","","0.0904","0.1111","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230366","7.1634","0.0002","10.8681","0.0004","16.3286","0.0005","81.544","0.002","83.31","0.002","80.009","0.002","1232.92","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,2,2-Trifluoro-1-[3-(2,2,2-trifluoroacetyl)azulen-1-yl]ethanone","","- C14 H6 F6 O2 -","- C14 H6 F6 O2 -","- C56 H24 F24 O8 -","4","2","IM2284","Förster, Sebastian; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin","2,2,2-Trifluoro-1-[3-(2,2,2-trifluoroacetyl)azulen-1-yl]ethanone","Acta Crystallographica Section E","2011","67","6","o1419","","10.1107/S1600536811017569","","","0.71073","MoKα","","0.0687","0.0375","","","0.0878","0.1057","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230367","19.1731","0.0002","14.6913","0.0002","13.2277","0.0002","90","","106.49","0.0006","90","","3572.69","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[μ-aqua-aqua{μ-6-ethoxy-2-[(2- isonicotinoylhydrazinylidene)methyl]phenolato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}dioxidosodiumvanadate(V)]","","- C15 H17 N3 Na O7 V -","- C15 H17 N3 Na O7 V -","- C120 H136 N24 Na8 O56 V8 -","8","2","IM2289","Wong, Hon Wee; Lo, Kong Mun; Ng, Seik Weng","Poly[μ-aqua-aqua{μ-6-ethoxy-2-[(2-isonicotinoylhydrazinylidene)methyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}dioxidosodiumvanadate(V)]","Acta Crystallographica Section E","2011","67","6","m799","","10.1107/S1600536811019106","","","0.71073","MoKα","","0.046","0.0377","","","0.1111","0.1202","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230368","7.4215","0.0012","11.879","0.0018","13.522","0.003","115.28","0.004","94.426","0.004","103.444","0.003","1027.1","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","3,9-Dimethyl-3,9-bis(4-nitrophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane","","- C21 H22 N2 O8 -","- C21 H22 N2 O8 -","- C42 H44 N4 O16 -","2","1","IS2689","Sun, Xiaoqiang; Yu, Bin; Zhang, Xiuqin; Chao, Xuqiang; Chen, Qiang","3,9-Dimethyl-3,9-bis(4-nitrophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane","Acta Crystallographica Section E","2011","67","6","o1319","","10.1107/S1600536811015017","","","0.71073","MoKα","","0.0614","0.0507","","","0.1666","0.1866","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230369","11.7607","0.0012","8.4473","0.0009","15.2601","0.0015","90","","107.662","0.001","90","","1444.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2-Iodophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile","","- C16 H13 I N2 -","- C16 H13 I N2 -","- C64 H52 I4 N8 -","4","1","IS2698","Ma, Yanni; Sun, Yifang; Zheng, Feng; Sun, Wenwen; Zhou, Le","2-(2-Iodophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile","Acta Crystallographica Section E","2011","67","6","o1484","","10.1107/S1600536811015212","","","0.71073","MoKα","","0.04","0.0347","","","0.0962","0.1014","","","","","","1.015","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230370","11.789","0.002","10.6403","0.0018","11.6632","0.0017","90","","107.687","0.005","90","","1393.9","0.4","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","M101","<i>rac</i>-2,2'-Bipiperidine-1,1'-diium dibromide","","- C10 H22 Br2 N2 -","- C10 H22 Br2 N2 -","- C40 H88 Br8 N8 -","4","0.5","IS2700","Laars, Marju; Ausmees, Kerti; Kudrjashova, Marina; Kanger, Tõnis; Werner, Franz","<i>rac</i>-2,2'-Bipiperidine-1,1'-diium dibromide","Acta Crystallographica Section E","2011","67","6","o1324","","10.1107/S1600536811016084","","","0.71073","MoKα","","0.0483","0.0379","","","0.0883","0.0933","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230371","17.6174","0.0007","7.2025","0.0003","25.7706","0.001","90","","90","","90","","3270","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Formyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","","- C18 H14 O6 S -","- C18 H14 O6 S -","- C144 H112 O48 S8 -","8","1","IS2704","Yuvaraj, H.; Gayathri, D.; Kalkhambkar, Rajesh G.; Kulkarni, Geeta M.; Bapset, Rajendra M.","8-Formyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","6","o1513","","10.1107/S1600536811018927","","","0.71073","MoKα","","0.0607","0.0426","","","0.1193","0.1352","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230372","9.5828","0.0011","32.187","0.004","9.1455","0.001","90","","94.601","0.002","90","","2811.8","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato)dibromido[2,2-diphenylhydrazin-1-ido(1-)][2,2- diphenylhydrazin-1-ido(2-)]molybdenum(VI)","","- C29 H28 Br2 Mo N4 O2 -","- C29 H28 Br2 Mo N4 O2 -","- C116 H112 Br8 Mo4 N16 O8 -","4","1","IS2705","Bustos, Carlos; Alvarez-Thon, Luis; Ibañez, Andrés; Sánchez, Christian","(Acetylacetonato)dibromido[2,2-diphenylhydrazin-1-ido(1{-})][2,2-diphenylhydrazin-1-ido(2{-})]molybdenum(VI)","Acta Crystallographica Section E","2011","67","6","m675","m676","10.1107/S1600536811015881","","","0.71073","MoKα","","0.0278","0.0242","","","0.061","0.0625","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230373","7.2378","0.0006","7.6496","0.0007","14.8099","0.0013","100.569","0.002","100.87","0.002","99.05","0.001","775.8","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3-(2,4-Dichlorobenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione","","- C16 H14 Cl2 O4 -","- C16 H14 Cl2 O4 -","- C32 H28 Cl4 O8 -","2","1","IS2706","Zeng, Wu-Lan","3-(2,4-Dichlorobenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione","Acta Crystallographica Section E","2011","67","6","o1362","","10.1107/S1600536811016813","","","0.71073","MoKα","","0.0759","0.0398","","","0.0652","0.0731","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230374","8.5768","0.001","19.3495","0.0017","23.537","0.003","69.814","0.004","89.511","0.005","78.55","0.005","3585.6","0.7","93","1","93","1","","","","","","","","7","P -1","-P 1","2","","Aqua[2-(2-pyridyl)-1,8-naphthyridine-κ^2^<i>N</i>^1^,<i>N</i>^2^](2,2':6',2''-\ terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) bis(hexafluoridophosphate) acetone sesquisolvate","","- C32.5 H31 F12 N6 O2.5 P2 Ru -","- C32.5 H31 F12 N6 O2.5 P2 Ru -","- C130 H124 F48 N24 O10 P8 Ru4 -","4","2","IS2707","Oyama, Dai; Yuzuriya, Kazumi; Takase, Tsugiko","Aqua[2-(2-pyridyl)-1,8-naphthyridine-κ^2^<i>N</i>^1^,<i>N</i>^2^](2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) bis(hexafluoridophosphate) acetone sesquisolvate","Acta Crystallographica Section E","2011","67","6","m737","m738","10.1107/S1600536811016485","","","0.71075","MoKα","","","0.0537","","","","0.1522","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230375","8.58","0.0001","11.1286","0.0001","11.4996","0.0001","94.425","0.001","99.191","0.001","92.992","0.001","1078.37","0.019","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-[2-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H27 N3 O5 -","- C23 H27 N3 O5 -","- C46 H54 N6 O10 -","2","1","IS2709","Fun, Hoong-Kun; Hemamalini, Madhukar; Vijesh, A. M.; Isloor, A. M.; Malladi, Shridhar","Diethyl 4-[2-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2011","67","6","o1417","o1418","10.1107/S1600536811017600","","","0.71073","MoKα","","0.0594","0.046","","","0.121","0.1338","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230376","10.0025","0.0004","11.0082","0.0004","12.3152","0.0004","109.55","0.001","98.368","0.001","90.054","0.001","1262.45","0.08","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato}palladium(II)","","- C30 H26 F2 N2 O4 Pd -","- C30 H26 F2 N2 O4 Pd -","- C60 H52 F4 N4 O8 Pd2 -","2","1","IS2710","Bahron, Hadariah; Mohd Tajuddin, Amalina; Ibrahim, Wan Nazihah Wan; Hemamalini, Madhukar; Fun, Hoong-Kun","Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato}palladium(II)","Acta Crystallographica Section E","2011","67","6","m759","m760","10.1107/S1600536811017739","","","0.71073","MoKα","","0.0336","0.0291","","","0.0768","0.081","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230377","6.9051","0.001","7.1309","0.0011","10.0653","0.0015","79.421","0.003","73.062","0.003","67.517","0.003","436.61","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","2-Methyl-5-nitro-1<i>H</i>-benzimidazole monohydrate","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C16 H18 N6 O6 -","2","1","IS2711","Ghalib, Raza Murad; Hashim, Rokiah; Sulaiman, Othman; Quah, Ching Kheng; Fun, Hoong-Kun","2-Methyl-5-nitro-1<i>H</i>-benzimidazole monohydrate","Acta Crystallographica Section E","2011","67","6","o1523","o1524","10.1107/S1600536811019027","","","0.71073","MoKα","","0.0481","0.0398","","","0.1075","0.1145","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230378","6.7914","0.0002","7.3201","0.0002","9.5006","0.0003","94.258","0.001","102.773","0.001","93.725","0.001","457.74","0.02","296","","296","","","","","","","","","4","P -1","-P 1","2","","3a,8a-Dihydroxy-1,3,3a,8a-tetrahydroindeno[1,2-<i>d</i>]imidazole-2,8-dione","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C20 H16 N4 O8 -","2","1","IS2712","Ghalib, Raza Murad; Hashim, Rokiah; Mehdi, Sayed Hasan; Quah, Ching Kheng; Fun, Hoong-Kun","3a,8a-Dihydroxy-1,3,3a,8a-tetrahydroindeno[1,2-<i>d</i>]imidazole-2,8-dione","Acta Crystallographica Section E","2011","67","6","o1525","","10.1107/S1600536811019039","","","0.71073","MoKα","","0.0559","0.0395","","","0.0982","0.1095","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230379","7.5056","0.0001","7.2523","0.0001","17.4489","0.0002","90","","90.6","0.001","90","","949.74","0.02","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>,<i>E</i>)-1,2-Bis(2,4,5-trimethoxybenzylidene)hydrazine","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","0.5","IS2713","Fun, Hoong-Kun; Jansrisewangwong, Patcharaporn; Karalai, Chatchanok; Chantrapromma, Suchada","(<i>E</i>,<i>E</i>)-1,2-Bis(2,4,5-trimethoxybenzylidene)hydrazine","Acta Crystallographica Section E","2011","67","6","o1526","o1527","10.1107/S1600536811019040","","","0.71073","MoKα","","0.045","0.0383","","","0.1066","0.1125","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230380","9.3841","0.0003","6.3453","0.0002","14.2048","0.0004","90","","94.475","0.002","90","","843.25","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,3<i>S</i>)-Methyl 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C38 H42 N2 O8 -","2","1","IS2714","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(1<i>S</i>,3<i>S</i>)-Methyl 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","Acta Crystallographica Section E","2011","67","6","o1501","","10.1107/S1600536811018782","","","0.71073","MoKα","","0.0331","0.0302","","","0.0795","0.082","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230381","9.0299","0.0013","14.116","0.002","9.6379","0.0014","90","","90.564","0.003","90","","1228.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Oxo-2-phenylethyl benzoate","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","IS2715","Fun, Hoong-Kun; Arshad, Suhana; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-Oxo-2-phenylethyl benzoate","Acta Crystallographica Section E","2011","67","6","o1528","","10.1107/S1600536811018976","","","0.71073","MoKα","","0.0835","0.0597","","","0.1711","0.1922","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230382","7.97","0.0005","7.9852","0.0005","11.3185","0.0007","86.536","0.001","83.205","0.001","89.633","0.001","713.97","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Bromophenyl)-2-oxoethyl 4-methoxybenzoate","","- C16 H13 Br O4 -","- C16 H13 Br O4 -","- C32 H26 Br2 O8 -","2","1","IS2716","Fun, Hoong-Kun; Loh, Wan-Sin; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 4-methoxybenzoate","Acta Crystallographica Section E","2011","67","6","o1529","","10.1107/S1600536811018988","","","0.71073","MoKα","","0.034","0.0265","","","0.0661","0.0692","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230383","6.9331","0.0004","9.595","0.0004","18.0179","0.0007","103.186","0.001","92.068","0.002","93.032","0.002","1163.94","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~5~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)(μ~4~-1<i>H</i>- benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]","","- C18 H19 Ba2 N4 O13.5 -","- C18 H19 Ba2 N4 O13.5 -","- C36 H38 Ba4 N8 O27 -","2","1","JH2280","Zhang, Heng-Qiang; Zheng, Xiu-Jun; Zhao, Chun-Xiang; Ng, Seik Weng","Poly[[aqua(μ~5~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]","Acta Crystallographica Section E","2011","67","6","m671","m672","10.1107/S160053681101590X","","","0.71073","MoKα","","0.0308","0.0278","","","0.0717","0.0737","","","","","","1.066","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230384","6.9393","0.0002","8.0885","0.0003","13.471","0.0004","90","","90","","90","","756.11","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,6,7,8-Tetrahydroquinolin-8-one","","- C9 H9 N O -","- C9 H9 N O -","- C36 H36 N4 O4 -","4","1","JH2281","Lipińska, Teodozja M.; Karczmarzyk, Zbigniew; Wysocki, Waldemar; Gruba, Ewa; Fruziński, Andrzej","5,6,7,8-Tetrahydroquinolin-8-one","Acta Crystallographica Section E","2011","67","6","o1365","","10.1107/S1600536811016175","","","1.54178","CuKα","","0.0512","0.0502","","","0.1509","0.1533","","","","","","1.141","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230385","8.707","0.008","9.872","0.008","12.779","0.01","103.74","0.02","97.93","0.02","100.45","0.02","1030.3","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(μ-2,3-Dibromosuccinato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[methanolato- κ<i>O</i>)triphenylantimony(V)]","","- C42 H38 Br2 O6 Sb2 -","- C42 H38 Br2 O6 Sb2 -","- C42 H38 Br2 O6 Sb2 -","1","0.5","JH2282","Quan, Li; Yin, Handong; Fu, Wenfu","(μ-2,3-Dibromosuccinato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[methanolato-κ<i>O</i>)triphenylantimony(V)]","Acta Crystallographica Section E","2011","67","6","m713","","10.1107/S1600536811016114","","","0.71073","MoKα","","0.0756","0.0478","","","0.113","0.1307","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230386","12.1241","0.0001","16.5829","0.0002","13.3893","0.0002","90","","106.37","0.0006","90","","2582.83","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-4-formyl-2-methoxy-6- nitrophenolato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C29 H27 N O5 Sn -","- C29 H27 N O5 Sn -","- C116 H108 N4 O20 Sn4 -","4","1","JH2283","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-4-formyl-2-methoxy-6-nitrophenolato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section E","2011","67","6","m710","","10.1107/S1600536811016436","","","0.71073","MoKα","","0.0308","0.0244","","","0.0593","0.063","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230387","19.1494","0.0004","10.7253","0.0003","13.8024","0.0002","90","","106.691","0.001","90","","2715.34","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","gliquidone","<i>N</i>-cyclohexylcarbamoyl-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4- tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide","","- C27 H33 N3 O6 S -","- C27 H33 N3 O6 S -","- C108 H132 N12 O24 S4 -","4","1","JH2285","Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.","Gliquidone","Acta Crystallographica Section E","2011","67","6","o1343","","10.1107/S1600536811016680","","","0.71073","MoKα","","0.0502","0.0376","","","0.0945","0.1005","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230388","13.674","0.005","12.407","0.005","20.353","0.005","90","","98.956","0.005","90","","3411","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Chlorido(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(triphenylphosphane- κ<i>P</i>)copper(I)","Chloro(1<i>H</i>-imidazole-<i>N</i>)bis(triphenylphosphane)copper(I)","","- C39 H34 Cl Cu N2 P2 -","- C39 H34 Cl Cu N2 P2 -","- C156 H136 Cl4 Cu4 N8 P8 -","4","1","JH2287","Hossaini Sadr, Moayad; Kia, Reza; Soltani, Behzad","Chlorido(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2011","67","6","m765","","10.1107/S1600536811017752","","","0.71069","MoKα","","0.0716","0.046","","","0.1027","0.1122","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230389","10.5529","0.0012","10.8791","0.0013","12.8396","0.0015","80.454","0.002","68.806","0.002","82.398","0.002","1351.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)silver(I) nitrate","","- C32 H28 Ag N5 O3 -","- C32 H28 Ag N5 O3 -","- C64 H56 Ag2 N10 O6 -","2","1","JH2288","Hossaini Sadr, Moayad; Soltani, Behzad; Engle, James T.; Ziegler, Christopher J.; Kabirzadeh, M.","Bis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)silver(I) nitrate","Acta Crystallographica Section E","2011","67","6","m762","m763","10.1107/S1600536811017776","","","0.71073","MoKα","","0.0325","0.0289","","","0.0756","0.0839","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230390","6.9575","0.0003","7.4541","0.0004","47.197","0.002","90","","92.0073","0.0006","90","","2446.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[<i>N</i>'-(5-Chloro-2-oxidobenzyl-κ<i>O</i>)-2,4-dihydroxybenzohydrazidato- κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)dioxidomolybdenum(VI)‒4,4'- bipyridine (1/1)","","- C25 H21 Cl Mo N4 O7 -","- C25 H21 Cl Mo N4 O7 -","- C100 H84 Cl4 Mo4 N16 O28 -","4","1","JH2289","Ngan, Ngui Khiong; Wong, Richard Chee Seng; Lo, Kong Mun; Ng, Seik Weng","[<i>N</i>'-(5-Chloro-2-oxidobenzyl-κ<i>O</i>)-2,4-dihydroxybenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)dioxidomolybdenum(VI)‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2011","67","6","m747","","10.1107/S1600536811017259","","","0.71073","MoKα","","0.0501","0.0485","","","0.1367","0.1377","","","","","","1.228","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230391","7.9237","0.0001","10.1869","0.0001","13.3215","0.0002","78.7841","0.0005","78.4605","0.0005","69.5728","0.0005","978.15","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Aqua[<i>N</i>'-(3-ethoxy-2-oxidobenzyl-κ<i>O</i>)furan-1-carbohydrazidato- κ^2^<i>N</i>',<i>O</i>]dioxidomolybdenum(VI)‒4,4'-bipyridine (2/1)","","- C19 H18 Mo N3 O7 -","- C19 H18 Mo N3 O7 -","- C38 H36 Mo2 N6 O14 -","2","1","JH2290","Ngan, Ngui Khiong; Wong, Richard Chee Seng; Lo, Kong Mun; Ng, Seik Weng","Aqua[<i>N</i>'-(3-ethoxy-2-oxidobenzyl-κ<i>O</i>)furan-1-carbohydrazidato-κ^2^<i>N</i>',<i>O</i>]dioxidomolybdenum(VI)‒4,4'-bipyridine (2/1)","Acta Crystallographica Section E","2011","67","6","m748","","10.1107/S1600536811017260","","","0.71073","MoKα","","0.0272","0.0261","","","0.0739","0.0756","","","","","","0.981","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230392","7.43","0.0007","8.2285","0.0009","10.2047","0.0011","97.011","0.001","90.813","0.001","113.449","0.002","566.74","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","5-[4-(1<i>H</i>-Imidazol-1-yl)phenyl]-2<i>H</i>-tetrazole dihydrate","","- C10 H12 N6 O2 -","- C10 H12 N6 O2 -","- C20 H24 N12 O4 -","2","1","JH2291","Zhang, Yan-Hua; Tian, Da-Min","5-[4-(1<i>H</i>-Imidazol-1-yl)phenyl]-2<i>H</i>-tetrazole dihydrate","Acta Crystallographica Section E","2011","67","6","o1537","","10.1107/S1600536811019647","","","0.71073","MoKα","","0.1167","0.0754","","","0.2037","0.2431","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230393","8.92","0.003","10.811","0.004","14.915","0.005","91.335","0.003","101.013","0.003","112.784","0.003","1294.1","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Tris(3-hydroxyimino-1-methylindolin-2-one) monohydrate","","- C27 H26 N6 O7 -","- C27 H26 N6 O7 -","- C54 H52 N12 O14 -","2","1","JJ2082","Miao, Yanqing; Zhang, Xiaoqing; Liu, Chunye; You, Jing","Tris(3-hydroxyimino-1-methylindolin-2-one) monohydrate","Acta Crystallographica Section E","2011","67","6","o1291","","10.1107/S1600536811015418","","","0.71073","MoKα","","0.073","0.0472","","","0.1216","0.14","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230394","9.6191","0.0006","10.1002","0.0007","11.6151","0.0008","112.045","0.001","105.065","0.001","93.154","0.001","995.23","0.12","159","2","159","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-6- methoxyphenolato)bis[dinitratodysprosium(III)] methanol disolvate","","- C32 H32 Dy2 N10 O18 S2 -","- C32 H32 Dy2 N10 O18 S2 -","- C32 H32 Dy2 N10 O18 S2 -","1","0.5","JJ2083","Xu, Xuebin; Ding, Shuai; Shen, Si; Tang, Jinkui; Liu, Zhiliang","Bis(μ-2-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-6-methoxyphenolato)bis[dinitratodysprosium(III)] methanol disolvate","Acta Crystallographica Section E","2011","67","6","m796","m797","10.1107/S1600536811019118","","","0.71073","MoKα","","0.0295","0.0249","","","0.0551","0.0574","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230395","8.5343","0.0004","10.18","0.0005","22.0455","0.001","90","","90","","90","","1915.29","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N</i>'-dimethyl- <i>N</i>''-(methylsulfonyl)phosphoric triamide","","- C17 H24 N3 O3 P S -","- C17 H24 N3 O3 P S -","- C68 H96 N12 O12 P4 S4 -","4","1","JJ2084","Pourayoubi, Mehrdad; Sadeghi Seraji, Sepideh; Bruno, Giuseppe; Amiri Rudbari, Hadi","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''-(methylsulfonyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","6","o1285","","10.1107/S1600536811015832","","","0.71073","MoKα","","0.0339","0.0318","","","0.0922","0.0938","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230396","7.2484","0.0014","7.6965","0.0015","11.964","0.002","101.81","0.03","92.55","0.03","91.92","0.03","652","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Urea‒adipic acid (2/1)","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","1","JJ2086","Chang, Hai-Sheng; Lin, Jian-Li","Urea‒adipic acid (2/1)","Acta Crystallographica Section E","2011","67","6","o1317","","10.1107/S1600536811015273","","","0.71073","MoKα","","0.1306","0.0487","","","0.1133","0.1863","","","","","","1.112","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230397","14.2611","0.0005","6.0661","0.0002","17.2436","0.0007","90","","99.74","0.002","90","","1470.23","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,5,6-Tetramethyl-3-phenylsulfinyl-1-benzofuran","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C72 H72 O8 S4 -","4","1","JJ2090","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2,4,5,6-Tetramethyl-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","6","o1512","","10.1107/S1600536811018952","","","0.71073","MoKα","","0.0671","0.0581","","","0.1489","0.155","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230398","5.4605","0.0001","12.4661","0.0003","14.3363","0.0004","108.053","0.003","91.319","0.002","97.437","0.002","917.98","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","4,4'-Difluoro-2,2'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro- 1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)]}diphenol","4-fluoro-2-({3-[(5-fluoro-2-hydroxyphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro- 1<i>H</i>-1,3-benzodiazol-1-yl}methyl)phenol","","- C21 H24 F2 N2 O2 -","- C21 H24 F2 N2 O2 -","- C42 H48 F4 N4 O4 -","2","1","KJ2178","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","4,4'-Difluoro-2,2'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)]}diphenol","Acta Crystallographica Section E","2011","67","6","o1542","","10.1107/S1600536811019763","","","1.5418","CuKα","","0.0421","0.0364","","","0.1057","0.11","","","","","","1.95","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230399","12.4811","0.0018","15.411","0.002","8.6647","0.0012","90","","94.388","0.005","90","","1661.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~3~-<i>rac</i>-5-ethoxycarbonyl-6-hydroxy-6-methyl-4-phenyl-4,5,6,7- tetrahydrobenzo[<i>c</i>]isoxazol-3-olato)potassium]","","- C17 H18 K N O5 -","- C16.994 H18 K N O5 -","- C67.976 H72 K4 N4 O20 -","4","1","KP2318","Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.","Poly[(μ~3~-<i>rac</i>-5-ethoxycarbonyl-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydrobenzo[<i>c</i>]isoxazol-3-olato)potassium]","Acta Crystallographica Section E","2011","67","6","m786","","10.1107/S160053681101868X","","","0.71073","MoKα","","0.0641","0.0539","","","0.141","0.1486","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230400","12.403","0.003","9.329","0.0019","12.81","0.003","90","","90","","90","","1482.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato- κ^2^<i>O</i>:<i>O</i>')lithium(I)]","","- C5 H4 Li N3 O5 -","- C5 H4 Li N3 O5 -","- C40 H32 Li8 N24 O40 -","8","1","KP2322","Starosta, Wojciech; Leciejewicz, Janusz","Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')lithium(I)]","Acta Crystallographica Section E","2011","67","6","m818","","10.1107/S1600536811019520","","","0.71073","MoKα","","0.0778","0.0498","","","0.136","0.1531","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230401","5.4501","0.001","15.825","0.003","21.889","0.004","90","","90","","90","","1887.9","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Bis[2-(prop-1-enyl)phenoxy]butane","","- C22 H26 O2 -","- C22 H26 O2 -","- C88 H104 O8 -","4","0.5","KP2326","Bayramov, Musa R.; Maharramov, Abel M.; Mehdiyeva, Gunay M.; Hoseinzadeh, Shahnaz B.; Askerov, Rizvan K.","1,4-Bis[2-(prop-1-enyl)phenoxy]butane","Acta Crystallographica Section E","2011","67","6","o1478","","10.1107/S1600536811018538","","","0.71073","MoKα","","0.0774","0.0424","","","0.1207","0.1506","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230402","6.532","0.004","9.788","0.006","23.491","0.015","90","","95.524","0.006","90","","1494.9","1.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,5,6,7- tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)acetamide","","- C13 H16 N4 O S3 -","- C13 H16 N4 O S3 -","- C52 H64 N16 O4 S12 -","4","1","KP2327","Zhi, Shuang; Mu, Shuai; Liu, Ying; Liu, Deng-Ke","<i>N</i>-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)acetamide","Acta Crystallographica Section E","2011","67","6","o1490","","10.1107/S1600536811017107","","","0.71073","MoKα","","0.038","0.0296","","","0.0764","0.0788","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230403","6.6408","0.0007","7.3788","0.001","10.8546","0.0014","73.3","0.03","75.39","0.03","74.3","0.03","481.59","0.14","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","4-(3-Fluoro-4-nitrophenyl)morpholin-3-one","","- C10 H9 F N2 O4 -","- C10 H9 F N2 O4 -","- C20 H18 F2 N4 O8 -","2","1","KP2328","Huang, Chang-Jiang; Wu, Jiang; Cai, Zhi-Qiang; Yuan, Jing","4-(3-Fluoro-4-nitrophenyl)morpholin-3-one","Acta Crystallographica Section E","2011","67","6","o1549","","10.1107/S1600536811019738","","","0.71073","MoKα","","0.0518","0.0392","","","0.1","0.1039","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230404","8.0141","0.0016","9.969","0.002","16.482","0.003","90","","90","","90","","1316.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β-Hydroxyeremophil-7(11)-en-8β,12-olide","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","LD2005","Su, Ri-Na; Shi, Sha; Wu, Hai-Bo; Wang, Wen-Shu","6β-Hydroxyeremophil-7(11)-en-8β,12-olide","Acta Crystallographica Section E","2011","67","6","o1361","","10.1107/S1600536811016308","","","0.71073","MoKα","","0.0588","0.0466","","","0.1019","0.1074","","","","","","0.945","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230405","20.9904","0.0017","5.1503","0.0002","21.1125","0.0018","90","","121.955","0.011","90","","1936.5","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>''-dicyclohexylphosphoric triamide","","- C19 H30 N3 O2 P -","- C19 H30 N3 O2 P -","- C76 H120 N12 O8 P4 -","4","1","LD2010","Pourayoubi, Mehrdad; Rostami Chaijan, Mahnaz; Torre-Fernández, Laura; García-Granda, Santiago","<i>N</i>-Benzoyl-<i>N</i>',<i>N</i>''-dicyclohexylphosphoric triamide","Acta Crystallographica Section E","2011","67","6","o1360","","10.1107/S1600536811016679","","","1.5418","CuKα","","0.0669","0.0512","","","0.1111","0.1222","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230406","9.0424","0.0002","10.1585","0.0003","10.3451","0.0003","90.689","0.002","109.47","0.001","95.634","0.002","890.59","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-Cyclohexyl-2-methyl-3-phenylsulfonyl-1-benzofuran","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","LD2013","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-2-methyl-3-phenylsulfonyl-1-benzofuran","Acta Crystallographica Section E","2011","67","6","o1496","","10.1107/S1600536811018903","","","0.71073","MoKα","","0.0485","0.0406","","","0.1024","0.1083","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230407","7.341","0.0007","12.4094","0.0013","38.074","0.004","90","","90","","90","","3468.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(2-hydroxyethanaminium) biphenyl-4,4'-dicarboxylate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","LH5226","Deng, Bin; Yu, Rui-Jin","Bis(2-hydroxyethanaminium) biphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2011","67","6","o1337","","10.1107/S1600536811013523","","","0.71073","MoKα","","0.0891","0.0664","","","0.158","0.1726","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230408","18.0095","0.0004","5.3471","0.0001","17.9387","0.0004","90","","109.731","0.001","90","","1626.05","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diphenyl (cyclopentylamido)phosphonate","{[(cyclopentylamino)(phenoxy)phosphoryl]oxy}benzene","","- C17 H20 N O3 P -","- C17 H20 N O3 P -","- C68 H80 N4 O12 P4 -","4","1","LH5228","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Zargaran, Poorya; Bruno, Giuseppe; Amiri Rudbari, Hadi","Diphenyl (cyclopentylamido)phosphonate","Acta Crystallographica Section E","2011","67","6","o1378","","10.1107/S1600536811017028","","","0.71073","MoKα","","0.0422","0.0371","","","0.0986","0.1103","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230409","9.7226","0.0018","12.969","0.004","17.69","0.003","90","","100.959","0.019","90","","2189.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{(4-Chlorophenyl)[4-(4-methylphenyl)-1,2,3-selenadiazol-5-yl]methyl}-4,5,6,7- tetrahydro-1,2,3-benzoselenadiazole","","- C22 H19 Cl N4 Se2 -","- C22 H19 Cl N4 Se2 -","- C88 H76 Cl4 N16 Se8 -","4","1","LH5230","Muthukumaran, J.; Nishandhini, M.; Chitra, S.; Muthusubramanian, S.; Manisankar, P.; Bhattacharya, Suman; Krishna, R.; Jeyakanthan, J.","4-{(4-Chlorophenyl)[4-(4-methylphenyl)-1,2,3-selenadiazol-5-yl]methyl}-4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole","Acta Crystallographica Section E","2011","67","6","o1421","o1422","10.1107/S160053681101751X","","","0.71073","MoKα","","0.0817","0.0508","","","0.1164","0.1377","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230410","6.087","0.0012","7.807","0.0016","12.305","0.003","76.52","0.03","82.95","0.03","81.87","0.03","560.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H22 I2 N2 O4 Pt S2 -","- C14 H22 I2 N2 O4 Pt S2 -","- C14 H22 I2 N2 O4 Pt S2 -","1","0.5","LH5232","Huq, Fazlul; Danish, Muhammed; Starosta, Wojciech; Leciejewicz, Janusz","<i>trans</i>-Bis(3-hydroxypyridine-κ<i>N</i>)diiodidoplatinum(II) dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2011","67","6","m721","","10.1107/S1600536811015893","","","0.71073","MoKα","","0.0576","0.0367","","","0.1013","0.114","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230411","9.7757","0.0006","10.9562","0.0006","20.94","0.0015","93.065","0.001","96.594","0.001","90.115","0.001","2224.7","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","(3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-[3-(piperidin-1- yl)propanoyl]piperidin-4-one","","- C27 H30 N2 O2 -","- C27 H30 N2 O2 -","- C108 H120 N8 O8 -","4","2","LH5234","Kia, Yalda; Osman, Hasnah; Murugaiyah, Vikneswaran; Hemamalini, Madhukar; Fun, Hoong-Kun","(3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-[3-(piperidin-1-yl)propanoyl]piperidin-4-one","Acta Crystallographica Section E","2011","67","6","o1299","o1300","10.1107/S1600536811015984","","","0.71073","MoKα","","0.0703","0.0464","","","0.1094","0.1224","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230412","6.2141","0.0009","6.7802","0.0008","17.9857","0.0009","96.727","0.004","90.254","0.004","116.791","0.005","670.39","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","3,5-Bis(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde","","- C16 H12 F2 N2 O -","- C16 H12 F2 N2 O -","- C32 H24 F4 N4 O2 -","2","1","LH5239","Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","3,5-Bis(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde","Acta Crystallographica Section E","2011","67","6","o1292","o1293","10.1107/S160053681101587X","","","0.71073","MoKα","","0.1578","0.0624","","","0.1429","0.206","","","","","","0.938","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230413","9.7261","0.0002","12.4444","0.0002","15.8413","0.0003","90","","108.884","0.001","90","","1814.16","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-5-methoxy-2',3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept- 2-ene-7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C88 H80 N8 O20 -","4","1","LH5240","Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao","1-Benzyl-5-methoxy-2',3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","6","o1311","o1312","10.1107/S160053681101600X","","","0.71073","MoKα","","0.0404","0.037","","","0.0973","0.1003","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230414","7.3643","0.0001","29.8703","0.0006","6.7802","0.0001","90","","105.294","0.001","90","","1438.65","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-1,2',3-trimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene- 7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","LH5241","Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao","5-Methoxy-1,2',3-trimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","6","o1340","o1341","10.1107/S1600536811016266","","","0.71073","MoKα","","0.0607","0.0485","","","0.12","0.1257","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230415","23.7759","0.0005","9.0517","0.0002","19.376","0.0004","90","","120.631","0.0011","90","","3588.11","0.14","160","1","160","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-4-(2,5-Di-<i>tert</i>-butylanilino)pent-3-en-2-one","","- C19 H29 N O -","- C19 H29 N O -","- C152 H232 N8 O8 -","8","1","LH5243","Pastrán, Jesús; Ramírez, Andrea; Agrifoglio, Giuseppe; Linden, Anthony; Dorta, Romano","(<i>Z</i>)-4-(2,5-Di-<i>tert</i>-butylanilino)pent-3-en-2-one","Acta Crystallographica Section E","2011","67","6","o1405","o1406","10.1107/S1600536811017296","","","0.71073","MoKα","","0.0515","0.0443","","","0.1115","0.1179","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230416","14.4243","0.0013","6.1041","0.0006","16.9653","0.0015","90","","97.056","0.001","90","","1482.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diaminium bis[3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate]","","- C22 H20 Cl8 N2 O8 -","- C22 H20 Cl8 N2 O8 -","- C44 H40 Cl16 N4 O16 -","2","0.5","LH5244","Liang, Zu Pei","Butane-1,4-diaminium bis[3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate]","Acta Crystallographica Section E","2011","67","6","o1357","","10.1107/S1600536811016795","","","0.71073","MoKα","","0.0558","0.0356","","","0.0816","0.0958","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230417","13.089","0.0014","7.667","0.0007","14.69","0.0014","90","","106.671","0.001","90","","1412.2","0.2","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","4-Bromoanilinium hydrogen phthalate","4-Bromoanilinium 2-carboxybenzoate","","- C14 H12 Br N O4 -","- C14 H12 Br N O4 -","- C56 H48 Br4 N4 O16 -","4","1","LH5245","Liang, Zu Pei","4-Bromoanilinium hydrogen phthalate","Acta Crystallographica Section E","2011","67","6","o1430","","10.1107/S1600536811017727","","","0.71073","MoKα","","0.0805","0.0537","","","0.1175","0.1266","","","","","","0.939","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230418","6.2567","0.0003","13.3756","0.0006","15.2512","0.0007","90","","101.335","0.001","90","","1251.43","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminopyrimidin-1-ium 4-methylbenzenesulfonate","","- C11 H13 N3 O3 S -","- C11 H13 N3 O3 S -","- C44 H52 N12 O12 S4 -","4","1","LH5246","Tabatabaee, Masoumeh; Noozari, Najmeh","2-Aminopyrimidin-1-ium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","6","o1457","","10.1107/S1600536811018198","","","0.71073","MoKα","","0.038","0.0322","","","0.0839","0.0882","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230419","8.6076","0.0005","4.6703","0.0003","21.9431","0.0013","90","","95.573","0.002","90","","877.94","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-3-carboxypyrazin-1-ium dihedrogenophosphate","2-Amino-3-carboxypyrazin-1-ium dihydrogen phosphate","","- C5 H8 N3 O6 P -","- C5 H8 N3 O6 P -","- C20 H32 N12 O24 P4 -","4","1","LH5248","Berrah, Fadila; Bouacida, Sofiane; Roisnel, Thierry","2-Amino-3-carboxypyrazin-1-ium dihydrogen phosphate","Acta Crystallographica Section E","2011","67","6","o1409","o1410","10.1107/S1600536811017521","","","0.71073","MoKα","","0.0334","0.0282","","","0.0748","0.0789","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230420","6.634","0.006","16.217","0.015","14.457","0.013","90","","101.102","0.01","90","","1526","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C72 H72 N16 O4 -","4","1","LH5249","Kou, Fan; Liu, Bin; Bai, Ying; Kong, Jin; Wu, Huilu","1,3-Bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane","Acta Crystallographica Section E","2011","67","6","o1439","","10.1107/S1600536811017922","","","0.71073","MoKα","","0.0947","0.0632","","","0.1559","0.1691","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230421","15.5575","0.0004","7.7006","0.0003","16.1717","0.0004","90","","108.971","0.0017","90","","1832.17","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>O</i>-Phenyl (cyclohexylamido)(<i>p</i>-tolylamido)phosphinate","<i>N</i>-[(Cyclohexylamino)(phenoxy)phosphoryl]-4-methylaniline","","- C19 H25 N2 O2 P -","- C19 H25 N2 O2 P -","- C76 H100 N8 O8 P4 -","4","1","LH5250","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Parvez, Masood","<i>O</i>-Phenyl (cyclohexylamido)(<i>p</i>-tolylamido)phosphinate","Acta Crystallographica Section E","2011","67","6","o1502","","10.1107/S1600536811018502","","","0.71073","MoKα","","0.0846","0.0557","","","0.1062","0.1236","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230422","14.4113","0.0015","3.7608","0.0004","24.941","0.003","90","","90.598","0.002","90","","1351.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benztriazolium picrate","1<i>H</i>-1,2,3-benzotriazol-1-ium 2,4,6-trinitrophenolate","","- C12 H8 N6 O7 -","- C12 H8 N6 O7 -","- C48 H32 N24 O28 -","4","1","LH5251","Zeng, Bo; Li, Ji; Wang, Guo-dong","Benzotriazolium picrate","Acta Crystallographica Section E","2011","67","6","o1464","","10.1107/S1600536811018307","","","0.71073","Mokα","","0.106","0.0616","","","0.144","0.16","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230423","10.0728","0.0004","11.2577","0.0004","20.367","0.0006","90","","90","","90","","2309.55","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-2-methyl-<i>N</i>-<i>p</i>-tolylpropanamide","","- C11 H14 Br N O -","- C11 H14 Br N O -","- C88 H112 Br8 N8 O8 -","8","1","LH5254","Moreno-Fuquen, Rodolfo; Quintero, David E.; Zuluaga, Fabio; Kennedy, Alan R.; De Almeida Santos, Regina H.","2-Bromo-2-methyl-<i>N</i>-<i>p</i>-tolylpropanamide","Acta Crystallographica Section E","2011","67","6","o1543","","10.1107/S1600536811019337","","","0.71073","MoKα","","0.0822","0.0453","","","0.0801","0.093","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230424","13.7594","0.0006","9.0545","0.0003","12.783","0.0005","90","","113.411","0.005","90","","1461.46","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(Methylsulfanyl)phenyl]naphtho[1,8-<i>de</i>][1,3,2]diazaborinane","","- C17 H15 B N2 S -","- C17 H15 B N2 S -","- C68 H60 B4 N8 S4 -","4","1","LW2059","Slabber, Cathryn A.; Akerman, Matthew P.; Robinson, Ross S.","2-[4-(Methylsulfanyl)phenyl]naphtho[1,8-<i>de</i>][1,3,2]diazaborinane","Acta Crystallographica Section E","2011","67","6","o1338","","10.1107/S1600536811014693","","","0.71073","MoKα","","0.0868","0.05","","","0.1347","0.1491","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230425","10.3147","0.0006","11.8817","0.0006","18.7809","0.001","90","","100.866","0.002","90","","2260.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C100 H124 N4 O12 -","4","1","LW2064","Parthiban, P.; Ramkumar, V.; Park, Dong Ho; Jeong, Yeon Tae","2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2011","67","6","o1475","o1476","10.1107/S1600536811018472","","","0.71073","MoKα","","0.0767","0.0419","","","0.0998","0.1172","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230426","16.981","0.005","15.291","0.005","18.665","0.005","90","","90","","90","","4846","2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","3,4-Bis[4-(4-methoxyphenoxy)phenyl]-2,5-dihydrofuran-2,5-dione","","- C30 H22 O7 -","- C30 H22 O7 -","- C240 H176 O56 -","8","1","NC2225","Zhang, Tao; Wang, Wenjing; Xu, Jiao; Ni, Liwei; Zhang, Xing","3,4-Bis[4-(4-methoxyphenoxy)phenyl]-2,5-dihydrofuran-2,5-dione","Acta Crystallographica Section E","2011","67","6","o1288","","10.1107/S1600536811015509","","","0.71069","MoKα","","0.1018","0.044","","","0.0922","0.1282","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230427","11.4644","0.0011","12.0231","0.0012","15.1184","0.0015","90","","101.731","0.002","90","","2040.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3-(4-chlorophenyl)-2-(1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin- 4-yl)-3-oxopropanoate","","- C21 H19 Cl N2 O5 -","- C21 H19 Cl N2 O5 -","- C84 H76 Cl4 N8 O20 -","4","1","NC2228","Zhang, Dongxue; Deng, Cong; Yang, Yan","Methyl 3-(4-chlorophenyl)-2-(1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl)-3-oxopropanoate","Acta Crystallographica Section E","2011","67","6","o1508","","10.1107/S1600536811018733","","","0.71073","MoKα","","0.0776","0.0694","","","0.1583","0.1636","","","","","","1.174","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230428","4.7387","0.0002","14.7836","0.0008","11.9013","0.0006","90","","100.845","0.003","90","","818.86","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(Ethoxycarbonothioyl)sulfanyl]acetic acid","","- C5 H8 O3 S2 -","- C5 H8 O3 S2 -","- C20 H32 O12 S8 -","4","1","NG5142","Xiao, Shude; Gu, Renpeng; Charpentier, Paul A.","2-[(Ethoxycarbonothioyl)sulfanyl]acetic acid","Acta Crystallographica Section E","2011","67","6","o1442","","10.1107/S1600536811017703","","","0.71073","MoKα","","0.0877","0.0454","","","0.094","0.1108","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230429","8.4859","0.0017","17.03","0.003","12.986","0.004","90","","116.22","0.02","90","","1683.6","0.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)copper(II)]-bis[μ-1,4- bis(pyridin-3-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>']]","","- C36 H32 Cu N6 O10 -","- C36 H32 Cu N6 O10 -","- C72 H64 Cu2 N12 O20 -","2","0.5","NG5152","Zou, Ping; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)copper(II)]-bis[μ-1,4-bis(pyridin-3-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>']]","Acta Crystallographica Section E","2011","67","6","m692","","10.1107/S1600536811016096","","","0.71073","MoKα","","0.0505","0.0372","","","0.0925","0.0973","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230430","7.846","0.005","27.047","0.004","8.199","0.005","90","","117.984","0.003","90","","1536.5","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(pyridine-κ<i>N</i>)zinc(II)","","- C15 H19 N O4 Zn -","- C15 H19 N O4 Zn -","- C60 H76 N4 O16 Zn4 -","4","1","NG5159","Brahma, Sanjaya; Srinidhi, M.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(pyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2011","67","6","m819","","10.1107/S1600536811019854","","","0.71073","MoKα","","0.046","0.04","","","0.1009","0.1059","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230431","8.3864","0.0017","16.751","0.003","13.273","0.005","90","","115.26","0.02","90","","1686.3","0.8","291","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)cobalt(II)]-bis[μ-1,4- bis(pyridin-3-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>']]","","- C36 H32 Co N6 O10 -","- C36 H32 Co N6 O10 -","- C72 H64 Co2 N12 O20 -","2","0.5","NG5160","Liu, Ying; Zhang, Hong-Sen; Hou, Guang-Feng; Gao, Jin-Sheng","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)cobalt(II)]-bis[μ-1,4-bis(pyridin-3-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>']]","Acta Crystallographica Section E","2011","67","6","m789","","10.1107/S1600536811018630","","","0.71073","MoKα","","0.0429","0.0351","","","0.0893","0.0925","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230432","7.417","0.002","7.4817","0.0016","17.545","0.005","79.924","0.019","88.9","0.02","64.295","0.012","862","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","1-[(5-Bromopentyloxy)methyl]pyrene","","- C22 H21 Br O -","- C22 H21 Br O -","- C44 H42 Br2 O2 -","2","1","NG5165","Bian, Xixi; Cai, Tongjiang; Zhou, Jin; Huang, Qin; Xiao, Xunwen","1-[(5-Bromopentyloxy)methyl]pyrene","Acta Crystallographica Section E","2011","67","6","o1456","","10.1107/S1600536811018253","","","0.71075","MoKα","","0.0404","0.0276","","","0.0446","0.0468","","","","","","0.884","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230433","14.6231","0.0018","10.7197","0.0012","9.9211","0.0012","90","","94.775","0.004","90","","1549.8","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2-Cyanoethylsulfanyl)-5'-(pyridin-4-yl)tetrathiafulvalene","3-({2-[4-(pyridin-4-yl)-2<i>H</i>-1,3-dithiol-2-ylidene]-2<i>H</i>-1,3-dithiol- 4-yl}sulfanyl)propanenitrile","","- C14 H10 N2 S5 -","- C14 H10 N2 S5 -","- C56 H40 N8 S20 -","4","1","NG5167","Li, Haiyun; Wang, Guannan; Xiao, Xunwen","4-(2-Cyanoethylsulfanyl)-5'-(pyridin-4-yl)tetrathiafulvalene","Acta Crystallographica Section E","2011","67","6","o1467","","10.1107/S1600536811018800","","","0.71075","MoKα","","0.0853","0.0609","","","0.1153","0.1259","","","","","","1.109","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230434","9.3656","0.0002","13.7515","0.0003","18.7917","0.0004","90","","90","","90","","2420.2","0.09","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Adamantan-1-yl)-2-chloroacetamide","","- C12 H18 Cl N O -","- C12 H18 Cl N O -","- C96 H144 Cl8 N8 O8 -","8","1","NK2092","Onajole, Oluseye K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","<i>N</i>-(Adamantan-1-yl)-2-chloroacetamide","Acta Crystallographica Section E","2011","67","6","o1444","","10.1107/S1600536811018046","","","0.71073","MoKα","","0.044","0.0368","","","0.0998","0.1058","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230435","9.736","0.008","11.899","0.009","9.466","0.007","90","","94.227","0.012","90","","1093.6","1.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>-(2-furylmethyl)ethane-1,2-diamine]bis(perchlorato)copper (II)","","- C14 H24 Cl2 Cu N4 O10 -","- C14 H24 Cl2 Cu N4 O10 -","- C28 H48 Cl4 Cu2 N8 O20 -","2","0.5","NK2094","Xiao, Wei; Li, Shi-Rong; Zhou, Hong; Pan, Zhi-Quan; Huang, Qimao","Bis[<i>N</i>-(2-furylmethyl)ethane-1,2-diamine]bis(perchlorato)copper(II)","Acta Crystallographica Section E","2011","67","6","m701","","10.1107/S1600536811012232","","","0.71073","MoKα","","0.0591","0.0486","","","0.1095","0.1124","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230436","7.5725","0.0004","27.7907","0.0013","8.762","0.0006","90","","99.884","0.005","90","","1816.55","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(tetraethylammonium) bis(hydrogen L-tartrate) L-tartaric acid monohydrate","","- C28 H58 N2 O19 -","- C28 H58 N2 O19 -","- C56 H116 N4 O38 -","2","1","NR2003","Rajalakshmi, M.; Indirajith, R.; Gopalakrishnan, R.; Ramamurthi, K.; Stoeckli-Evans, Helen","Bis(tetraethylammonium) bis(hydrogen <small>L</small>-tartrate) <small>L</small>-tartaric acid monohydrate","Acta Crystallographica Section E","2011","67","6","o1315","o1316","10.1107/S1600536811015479","","","0.71073","MoKα","","0.0395","0.0321","","","0.062","0.0639","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230437","12.0386","0.0005","13.1878","0.0006","17.5378","0.0008","111.201","0.003","104.147","0.003","91.419","0.002","2497.4","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-(Acetonitrile-κ<i>N</i>)aquabis(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) <i>cis</i>-diaquabis(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) tetrakis(perchlorate) dihydrate","","- C34 H37 Cl4 Mn2 N17 O21 -","- C34 H37 Cl4 Mn2 N17 O21 -","- C68 H74 Cl8 Mn4 N34 O42 -","2","1","OM2423","Ha, Kwang","<i>cis</i>-(Acetonitrile-κ<i>N</i>)aquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) <i>cis</i>-diaquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) tetrakis(perchlorate) dihydrate","Acta Crystallographica Section E","2011","67","6","m656","m657","10.1107/S1600536811015388","","","0.71073","MoKα","","0.1833","0.0818","","","0.1811","0.2533","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230438","12.8851","0.0011","13.3441","0.0011","9.4741","0.0008","90","","106.54","0.002","90","","1561.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-<i>tert</i>-Butyl-3-mesitylpropanamide","","- C16 H25 N O -","- C16 H25 N O -","- C64 H100 N4 O4 -","4","1","OM2425","Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Brito, Iván","<i>N</i>-<i>tert</i>-Butyl-3-mesitylpropanamide","Acta Crystallographica Section E","2011","67","6","o1307","","10.1107/S1600536811015856","","","0.71073","MoKα","","0.1593","0.0654","","","0.1391","0.1734","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230439","12.5052","0.0006","10.9917","0.0005","13.1837","0.0006","90","","91.68","0.001","90","","1811.37","0.15","125","2","125","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","Poly[μ~3~-chlorido-μ~2~-chloridodichlorido(μ-dimethyl sulfoxide-κ^2^<i>O</i>:<i>S</i>)(dimethyl sulfoxide-κ<i>O</i>)(μ-pyrimidine- κ^2^<i>N</i>:<i>N</i>')ruthenium(III)sodium]","","- C8 H16 Cl4 N2 Na O2 Ru S2 -","- C8 H16 Cl4 N2 Na O2 Ru S2 -","- C32 H64 Cl16 N8 Na4 O8 Ru4 S8 -","4","1","OM2427","Ferrara, Skylar; Kreider-Mueller, Ava; Tanski, Joseph M.; Anderson, Craig M.","Poly[μ~3~-chlorido-μ~2~-chloridodichlorido(μ-dimethyl sulfoxide-κ^2^<i>O</i>:<i>S</i>)(dimethyl sulfoxide-κ<i>O</i>)(μ-pyrimidine-κ^2^<i>N</i>:<i>N</i>')ruthenium(III)sodium]","Acta Crystallographica Section E","2011","67","6","m756","m757","10.1107/S1600536811017211","","","0.71073","MoKα","","0.0193","0.0177","","","0.0444","0.0453","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230440","8.9811","0.0018","18.856","0.004","19.612","0.004","90","","90","","90","","3321.2","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis{μ-2-[(pyridin-2-yl)iminomethyl]phenolato}bis[(2- formylphenolato)copper(II)]","","- C38 H28 Cu2 N4 O6 -","- C38 H28 Cu2 N4 O6 -","- C152 H112 Cu8 N16 O24 -","4","1","PK2308","Chang, Hui-Chang; Cole, Jacqueline M.; Lin, Tze-Chia; Sylvester, Sven O.; Waddell, Paul G.","Bis{μ-2-[(pyridin-2-yl)iminomethyl]phenolato}bis[(2-formylphenolato)copper(II)]","Acta Crystallographica Section E","2011","67","6","m690","","10.1107/S1600536811015674","","","0.71073","MoKα","","0.0594","0.0568","","","","0.1059","","","","","","1.202","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230441","7.8571","0.0013","9.6157","0.0016","13.934","0.002","99.364","0.003","105.094","0.003","110.648","0.003","912.6","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-Ethyl 2-benzoyl-4-(naphthalen-2-yl)-4-oxobut-2-enoate","","- C23 H18 O4 -","- C23 H18 O4 -","- C46 H36 O8 -","2","1","PK2318","Wu, Liuming; Deng, Cong; Yang, Yan","(<i>E</i>)-Ethyl 2-benzoyl-4-(naphthalen-2-yl)-4-oxobut-2-enoate","Acta Crystallographica Section E","2011","67","6","o1499","","10.1107/S1600536811018745","","","0.71073","MoKα","","0.0634","0.0544","","","0.1417","0.1488","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230442","8.4051","0.0003","12.7146","0.0005","13.3451","0.0005","70.475","0.001","83.208","0.001","79.309","0.001","1318.38","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","dicarbonyl-3κ^2^<i>C</i>-(μ~3~-3,6-dimethyl- 3,6-diazaoctane-1,8-dithiolato- 1:2:3κ^7^<i>S</i>:<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>':<i>S</i>, <i>S</i>')(μ~2~-3,6-dimethyl-3,6-diazaoctane-1,8-dithiolato- 1:2κ^5^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>':<i>S</i>)-1,2-diiron(II)- 3-nickel(0)","","- C18 H36 Fe2 N4 Ni O2 S4 -","- C18 H36 Fe2 N4 Ni O2 S4 -","- C36 H72 Fe4 N8 Ni2 O4 S8 -","2","1","PK2319","Peleg, Ariel; Lo, Wenfeng; Jiang, Jianfeng","A trinuclear Fe‒Fe‒Ni complex formed by ligand reshuffling","Acta Crystallographica Section E","2011","67","6","m766","m767","10.1107/S1600536811017892","","","0.71073","MoKα","","0.0276","0.022","","","0.0532","0.0557","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230443","12.807","0.002","20.096","0.003","10.3305","0.0017","90","","112.949","0.003","90","","2448.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","21-(4-Methylphenylsulfonyl)-4,7,13,16-tetraoxa-1,10,21- triazabicyclo[8.8.5]tricosane-19,23-dione","","- C23 H35 N3 O8 S -","- C23 H35 N3 O8 S -","- C92 H140 N12 O32 S4 -","4","1","PK2323","Ellis, Trevor K.; Clayton, Jr, Stephen M.; Powell, Douglas R.; Taylor, Richard W.","21-(4-Methylphenylsulfonyl)-4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione: an <i>N</i>-tosylated macrobicyclic dilactam","Acta Crystallographica Section E","2011","67","6","o1533","","10.1107/S1600536811018873","","","0.71073","MoKα","","0.0854","0.0555","","","0.1369","0.1515","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230444","10.297","0.0009","10.3526","0.0009","16.8926","0.0015","90","","102.131","0.001","90","","1760.6","0.3","297","","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[2-(3-Chlorophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","","- C21 H15 Cl N2 O2 -","- C21 H15 Cl N2 O2 -","- C84 H60 Cl4 N8 O8 -","4","1","PK2324","Bustos, Carlos; Alvarez-Thon, Luis; Cárcamo, Juan-Guillermo; Ibañez, Andrés; Sánchez, Christian","2-[2-(3-Chlorophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","Acta Crystallographica Section E","2011","67","6","o1450","o1451","10.1107/S1600536811017909","","","0.71073","MoKα","","0.0555","0.0423","","","0.111","0.1194","","","","","","0.978","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230445","13.112","0.0014","5.9366","0.0006","25.538","0.003","90","","90","","90","","1987.9","0.4","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Dibenzyl ferrocene-1,1'-dicarboxylate","","- C26 H22 Fe O4 -","- C26 H22 Fe O4 -","- C104 H88 Fe4 O16 -","4","1","PV2401","Patrick, Brian O.; Rock, Chris; Abd-El-Aziz, Alaa S.","Dibenzyl ferrocene-1,1'-dicarboxylate","Acta Crystallographica Section E","2011","67","6","m741","","10.1107/S1600536811016588","","","0.71073","MoKα","","0.0568","0.0354","","","0.0639","0.0699","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230446","8.282","0.0003","10.9776","0.0004","15.9881","0.0006","97.103","0.002","100.991","0.005","93.283","0.002","1411.08","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Triethylammonium [2-ethoxycarbonyl-2-(2-methylbenzyl)-6,9-dinitro- 3-oxobicyclo[3.3.1]non-6-en-8-ylidene]azinate","","- C26 H36 N4 O9 -","- C26 H36 N4 O9 -","- C52 H72 N8 O18 -","2","1","PV2406","Manickkam, Vaduganathan; Kalaivani, Doraisamyraja; Rajeswari, S.","Triethylammonium [2-ethoxycarbonyl-2-(2-methylbenzyl)-6,9-dinitro-3-oxobicyclo[3.3.1]non-6-en-8-ylidene]azinate","Acta Crystallographica Section E","2011","67","6","o1469","","10.1107/S1600536811018095","","","0.71073","MoKα","","0.0773","0.0542","","","0.1632","0.1965","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230447","6.7457","0.0013","10.761","0.002","13.033","0.003","94.45","0.03","104.84","0.03","104.48","0.03","875.3","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","(Anthracen-9-ylmethyl)benzylammonium chloride","","- C22 H20 Cl N -","- C22 H20 Cl N -","- C44 H40 Cl2 N2 -","2","1","PV2409","Han, Jian-Rong; Wang, Wei; Zhen, Xiao-Li; Tian, Xia; Liu, Shou-Xin","(Anthracen-9-ylmethyl)benzylammonium chloride","Acta Crystallographica Section E","2011","67","6","o1482","","10.1107/S1600536811016837","","","0.71073","MoKα","","0.0382","0.031","","","0.0851","0.0876","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230448","8.998","0.004","12","0.005","13.839","0.006","81.572","0.008","78.819","0.009","76.411","0.008","1416.9","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis{1-[2-(2,6-diisopropylanilino)phenyl]-3- isopropylimidazolin-2-ylidenyl-κ<i>C</i>^2^}diiodidopalladium(II) benzene disolvate","","- C60 H74 I2 N6 Pd -","- C60 H74 I2 N6 Pd -","- C60 H74 I2 N6 Pd -","1","0.5","PV2410","Daly, Christopher G.; Singh, Kuldip; Cross, Warren B.","<i>trans</i>-Bis{1-[2-(2,6-diisopropylanilino)phenyl]-3-isopropylimidazolin-2-ylidenyl-κ<i>C</i>^2^}diiodidopalladium(II) benzene disolvate","Acta Crystallographica Section E","2011","67","6","m668","","10.1107/S1600536811015431","","","0.71073","MoKα","","0.1086","0.0631","","","0.1126","0.1277","","","","","","0.875","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230449","14.8187","0.0014","5.9972","0.0006","14.884","0.0015","90","","109.827","0.001","90","","1244.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>^6^-(4-Fluorobenzyl)-3-nitropyridine-2,6-diamine","","- C12 H11 F N4 O2 -","- C12 H11 F N4 O2 -","- C48 H44 F4 N16 O8 -","4","1","PV2411","Ge, Ji-long; Qian, Xiao-min","<i>N</i>^6^-(4-Fluorobenzyl)-3-nitropyridine-2,6-diamine","Acta Crystallographica Section E","2011","67","6","o1481","","10.1107/S1600536811018642","","","0.71073","MoKα","","0.1027","0.0523","","","0.1216","0.1403","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230450","11.799","0.002","11.529","0.002","26.22","0.005","90","","90","","90","","3566.7","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-3-(1-naphthoyl)-1<i>H</i>-indole","","- C23 H21 N O -","- C23 H21 N O -","- C184 H168 N8 O8 -","8","1","PV2412","Xu, Hong; Sun, Hong-shun; Luo, Feng-mao; Ding, Jian-qing","1-Butyl-3-(1-naphthoyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","6","o1349","","10.1107/S1600536811016631","","","0.71073","MoKα","","0.1358","0.06","","","0.1446","0.1717","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230451","9.6235","0.0012","10.0971","0.0016","10.2251","0.0014","99.608","0.012","108.748","0.013","113.357","0.014","812.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Chlorophenyl)-4-hydroxypiperidinium benzoate","","- C18 H20 Cl N O3 -","- C18 H20 Cl N O3 -","- C36 H40 Cl2 N2 O6 -","2","1","PV2415","Jasinski, Jerry P.; Golen, James A.; Siddaraju, B. P.; Dayananda, A. S.; Yathirajan, H. S.","4-(4-Chlorophenyl)-4-hydroxypiperidinium benzoate","Acta Crystallographica Section E","2011","67","6","o1436","","10.1107/S1600536811017855","","","0.71073","MoKα","","0.0627","0.0458","","","0.1141","0.125","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230452","12.0273","0.0009","10.2977","0.0008","14.2626","0.0011","90","","96.452","0.001","90","","1755.3","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[2-(4-Bromophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","PV2416","Bustos, Carlos; Alvarez-Thon, Luis; Cárcamo, Juan-Guillermo; Garland, Maria Teresa; Sánchez, Christian","2-[2-(4-Bromophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","Acta Crystallographica Section E","2011","67","6","o1426","","10.1107/S1600536811017557","","","0.71073","MoKα","","0.036","0.0302","","","0.076","0.079","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230453","6.5491","0.0002","23.3325","0.0009","12.2715","0.0005","90","","102.141","0.001","90","","1833.23","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Piperidin-1-ium-1-yl)-6-azoniaspiro[5.5]undecane dibromide monohydrate","","- C15 H32 Br2 N2 O -","- C15 H32 Br2 N2 O -","- C60 H128 Br8 N8 O4 -","4","1","QK2002","Gonzalez, Jorge; Atilano-Coral, Roberto; Peraza-Campos, Ana Lilia; Ortegón-Reyna, David; Álvarez, Eleuterio","3-(Piperidin-1-ium-1-yl)-6-azoniaspiro[5.5]undecane dibromide monohydrate","Acta Crystallographica Section E","2011","67","6","o1308","o1309","10.1107/S1600536811008713","","","0.71073","MoKα","","0.0386","0.0273","","","0.0637","0.0678","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230454","15.2947","0.0004","11.6259","0.0002","20.9388","0.0005","90","","90","","90","","3723.23","0.15","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,6-Bis(4-fluorophenyl)-2-phenyl-1<i>H</i>-indazol-3(2<i>H</i>)-one","","- C25 H16 F2 N2 O -","- C25 H16 F2 N2 O -","- C200 H128 F16 N16 O8 -","8","1","QK2004","Butcher, R. J.; Akkurt, M.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","4,6-Bis(4-fluorophenyl)-2-phenyl-1<i>H</i>-indazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1346","o1347","10.1107/S1600536811016369","","","0.71073","MoKα","","0.064","0.0573","","","0.1311","0.135","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230455","7.4497","0.0002","9.9752","0.0003","12.3728","0.0004","86.491","0.002","80.125","0.003","83.817","0.002","899.7","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Triethylammonium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)stannate(IV)","","- C11 H19 Cl4 N3 O2 Sn -","- C11 H19 Cl4 N3 O2 Sn -","- C22 H38 Cl8 N6 O4 Sn2 -","2","1","QK2007","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Triethylammonium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2011","67","6","m711","","10.1107/S1600536811016473","","","0.71073","MoKα","","0.0246","0.0218","","","0.0501","0.0518","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230456","9.4166","0.0006","9.5369","0.0007","15.1662","0.0011","90","","100.033","0.004","90","","1341.17","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-3-cyclopentylsulfinyl-2-methyl-1-benzofuran","","- C14 H15 Br O2 S -","- C14 H15 Br O2 S -","- C56 H60 Br4 O8 S4 -","4","1","QK2009","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-Bromo-3-cyclopentylsulfinyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","6","o1386","","10.1107/S1600536811017120","","","0.71073","MoKα","","0.0447","0.0345","","","0.0899","0.0939","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230457","11.4124","0.0015","13.5097","0.0018","18.606","0.002","90","","90","","90","","2868.6","0.6","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","{<i>N</i>,<i>N</i>'-[2,2'-(Ethane-1,2-diyldisulfanediyl)di-<i>o</i>- phenylene]bis(quinoline-2-carboxamidato)}copper(II)","","- C34 H24 Cu N4 O2 S2 -","- C34 H24 Cu N4 O2 S2 -","- C136 H96 Cu4 N16 O8 S8 -","4","0.5","QK2010","Meghdadi, Soraia; Mirkhani, Valiollah; Ford, Peter C.","{<i>N</i>,<i>N</i>'-[2,2'-(Ethane-1,2-diyldisulfanediyl)di-<i>o</i>-phenylene]bis(quinoline-2-carboxamidato)}copper(II)","Acta Crystallographica Section E","2011","67","6","m820","m821","10.1107/S1600536811019581","","","0.71073","MoKα","","0.051","0.0412","","","0.1126","0.1192","","","","","","1.223","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230458","7.4283","0.0008","8.9573","0.001","15.4301","0.0017","89.672","0.009","86.252","0.009","78.86","0.009","1005.16","0.19","295","2","295","","","","","","","","","5","P -1","-P 1","2","","6-Chloro-3-nitro-<i>N</i>-(propan-2-yl)pyridin-2-amine","","- C8 H10 Cl N3 O2 -","- C8 H10 Cl N3 O2 -","- C32 H40 Cl4 N12 O8 -","4","2","RK2268","Qing, Xiao-Yu; Huang, Yun-Chuang; Yang, Ling-Ling; Xie, Yong-Mei","6-Chloro-3-nitro-<i>N</i>-(propan-2-yl)pyridin-2-amine","Acta Crystallographica Section E","2011","67","6","o1480","","10.1107/S1600536811018083","","","0.7107","MoKα","","0.0928","0.0609","","","0.1314","0.1488","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230459","17.4364","0.0003","10.4199","0.0002","16.9014","0.0003","90","","90","","90","","3070.74","0.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Triaquabis{2-methoxy-6-[(phenyliminiumyl)methyl]phenolate- κ<i>O</i>^1^}manganese(II) dinitrate","","- C28 H32 Mn N4 O13 -","- C28 H32 Mn N4 O13 -","- C112 H128 Mn4 N16 O52 -","4","0.5","RN2084","Ge, Guo-Di; Shen, Jin-Bei; Zhao, Guo-Liang","Triaquabis{2-methoxy-6-[(phenyliminiumyl)methyl]phenolate-κ<i>O</i>^1^}manganese(II) dinitrate","Acta Crystallographica Section E","2011","67","6","m813","m814","10.1107/S1600536811019593","","","0.71073","MoKα","","0.0702","0.0425","","","0.1065","0.118","","","","","","1.07","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230460","14.1182","0.0003","14.3444","0.0003","16.0971","0.0004","98.287","0.001","107.969","0.001","95.526","0.001","3034.05","0.12","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis[1,3-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide disolvate","","- C58 H62 Cd N16 O18 -","- C58 H62 Cd N16 O18 -","- C116 H124 Cd2 N32 O36 -","2","1","RN2085","Wu, Huilu; Liu, Bin; Kou, Fan; Jia, Fei; Kong, Jin","Bis[1,3-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","6","m768","","10.1107/S1600536811018228","","","0.71073","MoKα","","0.0345","0.0284","","","0.0773","0.0848","","","","","","1.098","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230461","16.8249","0.0015","7.139","0.0006","11.7101","0.0011","90","","108.612","0.001","90","","1333","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(3,4-Dimethylbenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","RZ2588","Zeng, Wu-Lan","5-(3,4-Dimethylbenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2011","67","6","o1351","","10.1107/S1600536811016497","","","0.71073","MoKα","","0.1017","0.0482","","","0.1398","0.2007","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230462","9.6644","0.0005","11.3769","0.0012","11.8255","0.0005","109.376","0.008","95.783","0.003","94.442","0.004","1211.79","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-1,2-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^]disilver(I) bis(4-carboxynaphthalene-1-carboxylate) tetrahydrate","","- C52 H50 Ag2 N8 O12 -","- C52 H50 Ag2 N8 O12 -","- C52 H50 Ag2 N8 O12 -","1","0.5","RZ2589","Yang, Yan; Yuan, Guohui","Bis[μ-1,2-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]disilver(I) bis(4-carboxynaphthalene-1-carboxylate) tetrahydrate","Acta Crystallographica Section E","2011","67","6","m802","","10.1107/S1600536811018691","","","0.71073","MoKα","","0.0466","0.029","","","0.0665","0.0694","","","","","","0.889","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230463","16.95","0.004","12.863","0.003","10.792","0.002","90","","97.779","0.013","90","","2331.3","0.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorobenzoyl)-4-(4-chlorophenyl)-1-phenethylpiperidin-4-ol","","- C26 H25 Cl2 N O2 -","- C26 H25 Cl2 N O2 -","- C104 H100 Cl8 N4 O8 -","4","1","RZ2590","Aydın, Abdullah; Akkurt, Mehmet; Mete, Ebru; Sahin, Ertan; Gul, Halise Inci","3-(4-Chlorobenzoyl)-4-(4-chlorophenyl)-1-phenethylpiperidin-4-ol","Acta Crystallographica Section E","2011","67","6","o1447","o1448","10.1107/S1600536811018034","","","0.71073","MoKα","","0.2205","0.0967","","","0.1143","0.148","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230464","9.3943","0.0001","6.8946","0.0001","20.7251","0.0003","90","","92.065","0.001","90","","1341.49","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-(2,4-Dihydroxybenzylidene)azaniumyl]-3-phenylpropanoate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","RZ2592","Bahron, Hadariah; Fadzel, Fatimatuzzahraa Mohd; Kassim, Karimah; Hemamalini, Madhukar; Fun, Hoong-Kun","2-[(<i>E</i>)-(2,4-Dihydroxybenzylidene)azaniumyl]-3-phenylpropanoate","Acta Crystallographica Section E","2011","67","6","o1331","o1332","10.1107/S1600536811016655","","","0.71073","MoKα","","0.0575","0.0433","","","0.1142","0.1248","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230465","10.6938","0.0002","19.4062","0.0003","11.1763","0.0002","90","","93.663","0.001","90","","2314.63","0.07","100","1","100","1","","","","","","","","2","P 1 21 1","P 2yb","4","","Cholest-5-ene","","- C27 H46 -","- C27 H46 -","- C108 H184 -","4","2","RZ2593","Khan, Mohd Shaheen; Sulaiman, Othman; Hashim, Rokiah; Hemamalini, Madhukar; Fun, Hoong-Kun","Cholest-5-ene","Acta Crystallographica Section E","2011","67","6","o1368","","10.1107/S1600536811016783","","","0.71073","MoKα","","0.0671","0.0538","","","0.1175","0.1244","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230466","9.2653","0.0002","10.6076","0.0002","12.2347","0.0002","66.409","0.001","87.758","0.001","80.308","0.001","1085.7","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(2-methyl-4-phenylquinolin- 3-yl)prop-2-en-1-one 0.7-hydrate","","- C27 H25.4 N2 O1.7 -","- C27 H25.4 N2 O1.7 -","- C54 H50.8 N4 O3.4 -","2","1","RZ2594","Loh, Wan-Sin; Fun, Hoong-Kun; Sarveswari, S.; Vijayakumar, V.; Prasath, R.","(<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one 0.7-hydrate","Acta Crystallographica Section E","2011","67","6","o1521","o1522","10.1107/S1600536811019088","","","0.71073","MoKα","","0.0661","0.0511","","","0.1444","0.1577","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230467","9.6338","0.0008","10.0679","0.0007","22.4108","0.0018","86.938","0.003","78.049","0.002","89.891","0.002","2123.4","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","4-Acetyl-3-(<i>p</i>-anisyl)sydnone","4-Acetyl-3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C88 H80 N16 O32 -","8","4","RZ2595","Fun, Hoong-Kun; Loh, Wan-Sin; Nithinchandra; Kalluraya, Balakrishna","4-Acetyl-3-(<i>p</i>-anisyl)sydnone","Acta Crystallographica Section E","2011","67","6","o1489","","10.1107/S1600536811018484","","","0.71073","MoKα","","0.0704","0.0516","","","0.1334","0.155","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230468","10.9714","0.0002","7.51791","0.00014","18.7832","0.0003","90","","99.917","0.001","90","","1526.13","0.05","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,7-Dimethoxynaphthalen-1-yl)(4-fluorophenyl)methanone","","- C19 H15 F O3 -","- C19 H15 F O3 -","- C76 H60 F4 O12 -","4","1","RZ2596","Watanabe, Shoji; Muto, Toyokazu; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki","(2,7-Dimethoxynaphthalen-1-yl)(4-fluorophenyl)methanone","Acta Crystallographica Section E","2011","67","6","o1466","","10.1107/S1600536811018332","","","1.54187","CuKα","","0.0359","0.034","","","0.1062","0.1085","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230469","8.6764","0.0001","8.9366","0.0001","12.0684","0.0002","93.495","0.001","109.892","0.001","98.426","0.001","864.23","0.02","100","","100","","","","","","","","","4","P -1","-P 1","2","","Methyl 4'-isobutyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1<i>H</i>,4'<i>H</i>- spiro[isoquinoline-4,5'-oxazole]-4'-carboxylate","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C38 H44 N4 O10 -","2","1","RZ2597","Fun, Hoong-Kun; Quah, Ching Kheng; Xu, Kai; Zhang, Yan","Methyl 4'-isobutyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1<i>H</i>,4'<i>H</i>-spiro[isoquinoline-4,5'-oxazole]-4'-carboxylate","Acta Crystallographica Section E","2011","67","6","o1519","o1520","10.1107/S1600536811019003","","","0.71073","MoKα","","0.0455","0.0392","","","0.1071","0.1126","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230470","8.6834","0.0007","11.1683","0.0009","11.3085","0.0009","100.638","0.002","106.347","0.002","109.383","0.002","944.72","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","Methyl 4'-benzyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1<i>H</i>,4'<i>H</i>-spiro[isoquinoline-4,5'-oxazole]-4'-carboxylate","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C44 H40 N4 O10 -","2","1","RZ2598","Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao","Methyl 4'-benzyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1<i>H</i>,4'<i>H</i>-spiro[isoquinoline-4,5'-oxazole]-4'-carboxylate","Acta Crystallographica Section E","2011","67","6","o1517","o1518","10.1107/S160053681101899X","","","0.71073","MoKα","","0.0402","0.0365","","","0.1048","0.1092","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230471","14.2083","0.0015","16.3332","0.0017","10.1321","0.001","90","","90","","90","","2351.3","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Bis(2,6-diisopropylphenyl) sulfite","","- C24 H34 O3 S -","- C24 H34 O3 S -","- C96 H136 O12 S4 -","4","1","RZ2600","Zhang, Jing-Yu; Hou, Xuehui; Wang, Zheguang","Bis(2,6-diisopropylphenyl) sulfite","Acta Crystallographica Section E","2011","67","6","o1493","","10.1107/S160053681101885X","","","0.71073","MoKα","","0.0736","0.0436","","","0.1019","0.1192","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230472","7.5438","0.0005","8.1631","0.0005","28.5953","0.0017","90","","90","","90","","1760.92","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Chloro-4-dimethylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl- 5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","","- C16 H26 Cl N O3 -","- C16 H26 Cl N O3 -","- C64 H104 Cl4 N4 O12 -","4","1","SI2350","Song, Xiu-Mei; Wang, Ning; Wang, Zhao-Yang; Feng, Zong-Cai","3-Chloro-4-dimethylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1485","o1486","10.1107/S1600536811015583","","","0.71073","MoKα","","0.0787","0.0468","","","0.1022","0.1174","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230473","8.9003","0.0001","7.7816","0.0001","17.515","0.0003","90","","91.857","0.001","90","","1212.43","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ-aqua-aqua(μ-benzene-1,2,4,5- tetracarboxylato)gadolinate(III)potassium(I)]","","- C10 H6 Gd K O10 -","- C10 H6 Gd K O10 -","- C40 H24 Gd4 K4 O40 -","4","1","SI2351","Gong, Xue Yun; Zhang, Lei","Poly[μ-aqua-aqua(μ-benzene-1,2,4,5-tetracarboxylato)gadolinate(III)potassium(I)]","Acta Crystallographica Section E","2011","67","6","m736","","10.1107/S1600536811016254","","","0.71073","MoKα","","0.0317","0.0239","","","0.0486","0.0512","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230474","17.0955","0.0006","13.6504","0.0005","21.6791","0.0008","90","","94.229","0.001","90","","5045.3","0.3","168","2","168","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(3-phenylindenylidene)bis(triphenylphosphane)ruthenium(II) tetrahydrofuran disolvate","","- C59 H56 Cl2 O2 P2 Ru -","- C55 H48 Cl2 O P2 Ru -","- C220 H192 Cl8 O4 P8 Ru4 -","4","1","SI2353","Bats, Jan W.; Pérez Gomes, Jessica; Doppiu, Angelino; Hashmi, A. Stephen K.","Dichlorido(3-phenylindenylidene)bis(triphenylphosphane)ruthenium(II) tetrahydrofuran disolvate","Acta Crystallographica Section E","2011","67","6","m723","m724","10.1107/S1600536811016692","","","0.71073","MoKα","","0.0562","0.0417","","","0.0995","0.1059","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230475","19.5847","0.0003","10.2404","0.0002","26.6224","0.0004","90","","110.284","0.0008","90","","5008.16","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-(<i>E</i>)-3-phenylprop-2- enoato-κ^2^<i>O</i>:<i>O</i>']","","- C30 H28 O2 Sn -","- C30 H28 O2 Sn -","- C240 H224 O16 Sn8 -","8","4","SI2355","Lo, Kong Mun; Ng, Seik Weng","<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-(<i>E</i>)-3-phenylprop-2-enoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","6","m744","m745","10.1107/S1600536811017247","","","0.71073","MoKα","","0.0551","0.0424","","","0.0809","0.087","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230476","11.6932","0.0003","14.1254","0.0003","6.513","0.0001","90","","90","","90","","1075.76","0.04","110","","110","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Poly[diacetonitrile[μ~3~-difluoro(oxalato)borato]sodium]","","- C6 H6 B F2 N2 Na O4 -","- C6 H6 B F2 N2 Na O4 -","- C24 H24 B4 F8 N8 Na4 O16 -","4","0.5","SJ5126","Allen, Joshua L.; Boyle, Paul D.; Henderson, Wesley A.","Poly[diacetonitrile[μ~3~-difluoro(oxalato)borato]sodium]","Acta Crystallographica Section E","2011","67","6","m678","","10.1107/S1600536811015091","","","0.71073","MoKα","","0.0489","0.0368","","","0.1067","0.1121","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230477","19.5821","0.0013","20.3531","0.0014","22.4764","0.0016","90","","90","","90","","8958.1","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris[6-methoxy-2-(phenyliminiomethyl)phenolato]- κ^4^<i>O</i>,<i>O</i>';κ<i>O</i>^1^-tris(thiocyanato-κ<i>N</i>)samarium(III)","","- C45 H39 N6 O6 S3 Sm -","- C45 H39 N6 O6 S3 Sm -","- C360 H312 N48 O48 S24 Sm8 -","8","1","SJ5128","Ge, Guo-Di; Shen, Jin-Bei; Zhao, Guo-Liang","Tris[6-methoxy-2-(phenyliminiomethyl)phenolato]-κ^4^<i>O</i>,<i>O</i>';κ<i>O</i>^1^-tris(thiocyanato-κ<i>N</i>)samarium(III)","Acta Crystallographica Section E","2011","67","6","m706","m707","10.1107/S1600536811016205","","","0.71073","MoKα","","0.0918","0.0395","","","0.0646","0.0771","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230478","6.6343","0.0001","35.7706","0.0005","8.1537","0.0001","90","","121.879","0.001","90","","1643.12","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-[3-(Benzyloxy)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","SJ5129","Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Khaleel, V. Musthafa; Narayana, B.","(2<i>E</i>)-3-[3-(Benzyloxy)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1313","o1314","10.1107/S160053681101614X","","","0.71073","MoKα","","0.0566","0.0479","","","0.1208","0.1263","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230479","27.0296","0.0012","11.3031","0.0005","18.958","0.0014","90","","133.807","0.002","90","","4180","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(3<i>E</i>,5<i>E</i>)-1-Acryloyl-3,5-bis(2,4-dichlorobenzylidene)piperidin-4-one hemihydrate","","- C22 H16 Cl4 N O2.5 -","- C22 H16 Cl4 N O2.5 -","- C176 H128 Cl32 N8 O20 -","8","1","SJ5130","Basiri, Alireza; Murugaiyah, Vikneswaran; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun","(3<i>E</i>,5<i>E</i>)-1-Acryloyl-3,5-bis(2,4-dichlorobenzylidene)piperidin-4-one hemihydrate","Acta Crystallographica Section E","2011","67","6","o1301","o1302","10.1107/S1600536811016023","","","0.71073","MoKα","","0.1078","0.0496","","","0.116","0.1398","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230480","6.7036","0.0013","6.9797","0.0014","10.424","0.002","93.28","0.03","90.67","0.03","113.47","0.03","446.33","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato- κ^2^<i>O</i>^2^,<i>O</i>^3^)manganese(II)","","- C20 H14 Mn O10 -","- C20 H14 Mn O10 -","- C20 H14 Mn O10 -","1","0.5","SJ5131","Cui, Yue; Gao, Qian; Wang, Huan-Huan; Wang, Lin; Xie, Ya-Bo","Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato-κ^2^<i>O</i>^2^,<i>O</i>^3^)manganese(II)","Acta Crystallographica Section E","2011","67","6","m727","","10.1107/S1600536811016667","","","0.71073","MoKα","","0.0286","0.0269","","","0.0686","0.0698","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230481","14.0242","0.0013","12.445","0.0012","5.2706","0.0005","90","","90","","90","","919.88","0.15","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-(4-Hydroxyphenyl)butan-2-one","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","SJ5132","Wang, Jian-Guo","4-(4-Hydroxyphenyl)butan-2-one","Acta Crystallographica Section E","2011","67","6","o1411","","10.1107/S1600536811017272","","","0.71073","MoKα","","0.0667","0.0636","","","0.1687","0.1725","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230482","15.5702","0.0013","37.377","0.003","7.2016","0.0009","90","","90","","90","","4191.1","0.7","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3-Carboxy-5-(pyridinium-4-yl)benzoate","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C208 H144 N16 O64 -","16","1","SJ5133","Li, Shi-Jie; Miao, Dong-Liang; Song, Wen-Dong; Tong, Shao-Wei","3-Carboxy-5-(pyridinium-4-yl)benzoate: a redetermination","Acta Crystallographica Section E","2011","67","6","o1353","","10.1107/S1600536811016394","","","0.71073","MoKα","","0.0562","0.0497","","","0.1367","0.1416","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230483","13.2854","0.0005","3.7504","0.0001","16.3309","0.0006","90","","126.208","0.002","90","","656.55","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitrobenzene-1,2-diamine","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","SJ5135","Betz, Richard; Gerber, Thomas","3-Nitrobenzene-1,2-diamine","Acta Crystallographica Section E","2011","67","6","o1359","","10.1107/S1600536811016825","","","0.71073","MoKα","","0.0521","0.0401","","","0.1051","0.1147","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230484","9.879","0.005","7.557","0.004","15.386","0.008","90","","105.386","0.005","90","","1107.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[triaqua(μ~3~-4-oxidopyridine-2,6-dicarboxylato)holmium(III)] monohydrate]","","- C7 H10 Ho N O9 -","- C7 H10 Ho N O9 -","- C28 H40 Ho4 N4 O36 -","4","1","SJ5136","Gao, Zhu-Qing; Lv, Dong-Yu; Gu, Jin-Zhong; Li, Hong-Jin","Poly[[triaqua(μ~3~-4-oxidopyridine-2,6-dicarboxylato)holmium(III)] monohydrate]","Acta Crystallographica Section E","2011","67","6","m740","","10.1107/S1600536811016953","","","0.71073","MoKα","","0.0268","0.0208","","","0.0442","0.0467","","","","","","1.022","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230485","21.225","0.004","3.85","0.0007","25.353","0.005","90","","108.933","0.004","90","","1959.7","0.6","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Hopeahainol C monohydrate","3,11-bis(4-hydroxyphenyl)-4,12- dioxapentacyclo[8.6.1.1^2,5^.0^13,17^.0^9,18^]octadeca- 1(16),2,5(18),6,8,10,13(17),14-octaene-7,15-diol monohydrate","","- C28 H18 O7 -","- C28 H18 O7 -","- C112 H72 O28 -","4","0.5","SJ5138","Fun, Hoong-Kun; Sudto, Kanokorn; Ge, Hui-Ming; Tan, Ren-Xiang; Hannongbua, Supa; Chantrapromma, Suchada","Hopeahainol C monohydrate","Acta Crystallographica Section E","2011","67","6","o1392","o1393","10.1107/S1600536811017053","","","0.71073","MoKα","","0.106","0.0678","","","0.1467","0.1609","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230486","17.7226","0.0006","10.6169","0.0003","20.8491","0.0007","90","","113.724","0.002","90","","3591.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile","","- C35 H24 Cl2 N4 O -","- C35 H24 Cl2 N4 O -","- C140 H96 Cl8 N16 O4 -","4","1","SJ5139","Ali, A. Jahubar; Athimoolam, S.; Bahadur, S. Asath; Raja, V. P. Alex","2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile","Acta Crystallographica Section E","2011","67","6","o1407","o1408","10.1107/S1600536811017284","","","0.71073","MoKα","","0.0964","0.0607","","","0.1923","0.2109","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230487","8.9199","0.0011","10.4333","0.0012","11.6697","0.0008","65.1","0.009","82.388","0.008","69.513","0.011","922.63","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[4-(Diethylamino)phenyl]-<i>N</i>-methyl-3-nitro-4<i>H</i>-chromen-2-amine","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C40 H46 N6 O6 -","2","1","SJ5141","Muthukumaran, J.; Parthiban, A.; Manivel, P.; Rao, H. Surya Prakash; Krishna, R.","4-[4-(Diethylamino)phenyl]-<i>N</i>-methyl-3-nitro-4<i>H</i>-chromen-2-amine","Acta Crystallographica Section E","2011","67","6","o1395","o1396","10.1107/S1600536811017338","","","0.71073","MoKα","","0.0684","0.0563","","","0.1522","0.1623","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230488","16.245","0.003","10.136","0.002","14.048","0.003","90","","99.15","0.03","90","","2283.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10'-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C28 H22 Cu N2 O4 -","- C28 H22 Cu N2 O4 -","- C112 H88 Cu4 N8 O16 -","4","1","SJ5144","Ni, Sheng-Liang; Zhou, Feng; Qi, Jin-Li","Bis(2-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10'-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2011","67","6","m779","","10.1107/S1600536811018162","","","0.71073","MoKα","","0.0982","0.0454","","","0.0962","0.15","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230489","10.02","0.003","25.732","0.002","11.243","0.002","90","","102.199","0.003","90","","2833.4","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-methoxybenzylidene)isonicotinohydrazide","","- C14 H12 Br N3 O2 -","- C14 H12 Br N3 O2 -","- C112 H96 Br8 N24 O16 -","8","2","SJ5145","Ban, Hong-Yan","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-methoxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2011","67","6","o1443","","10.1107/S1600536811017910","","","0.71073","MoKα","","0.2338","0.0637","","","0.097","0.143","","","","","","0.939","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230490","9.5293","0.0003","9.7885","0.0003","13.7524","0.0004","90","","90","","90","","1282.79","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,8-Dimethyl-3-methylene-2-oxo-3,3a,4,5,5a,6,8a,8b-octahydro- 2<i>H</i>-1-oxa-s-indacene-5-carbaldehyde","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","SJ5146","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean-Claude; Akssira, Mohamed; Elhakmaoui, Ahmed","5,8-Dimethyl-3-methylene-2-oxo-3,3a,4,5,5a,6,8a,8b-octahydro-2<i>H</i>-1-oxa-s-indacene-5-carbaldehyde","Acta Crystallographica Section E","2011","67","6","o1479","","10.1107/S1600536811018344","","","0.71073","MoKα","","0.0351","0.0308","","","0.0808","0.0848","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230491","8.0493","0.0007","11.498","0.0009","15.505","0.001","90","","90.512","0.008","90","","1434.94","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chloro-<i>N</i>-(2,4-dimethylphenyl)benzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","1","SJ5151","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2,4-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","6","o1536","","10.1107/S160053681101960X","","","0.71073","MoKα","","0.0498","0.0369","","","0.1027","0.11","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230492","8.3792","0.0002","21.7673","0.0004","12.0894","0.0002","90","","96.118","0.001","90","","2192.46","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Diethyl-2-hydroxyethanaminium 2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate dihydrate","","- C16 H24 N6 O12 -","- C16 H24 N6 O12 -","- C64 H96 N24 O48 -","4","1","SU2264","Buvaneswari, Manickam; Kalaivani, Doraisamyraja","<i>N</i>,<i>N</i>-Diethyl-2-hydroxyethanaminium 2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate dihydrate","Acta Crystallographica Section E","2011","67","6","o1433","o1434","10.1107/S1600536811017363","","","0.71073","MoKα","","0.0633","0.0421","","","0.1115","0.1314","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230493","3.9084","0.0008","19.054","0.004","16.328","0.004","90","","101.64","0.03","90","","1191","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(5-methylpyrazin-2-yl)-1,3,4-oxadiazole","","- C12 H10 N6 O -","- C12 H10 N6 O -","- C48 H40 N24 O4 -","4","1","SU2270","Ju, Yue; Wu, Jing-Min; Li, Cheng-Peng; Guo, Jian-Hua","2,5-Bis(5-methylpyrazin-2-yl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2011","67","6","o1416","","10.1107/S1600536811015029","","","0.71073","MoKα","","0.1499","0.0641","","","0.0979","0.1204","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230494","7.4877","0.0002","11.7612","0.0003","17.3744","0.0004","90","","90.119","0.002","90","","1530.06","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-(4-Nitrophenylsulfonyl)-9<i>H</i>-carbazole","","- C18 H12 N2 O4 S -","- C18 H12 N2 O4 S -","- C72 H48 N8 O16 S4 -","4","1","SU2273","Uludağ, Nesimi; Ateş, Murat; Tercan, Barış; Hökelek, Tuncer","9-(4-Nitrophenylsulfonyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2011","67","6","o1428","o1429","10.1107/S1600536811017818","","","0.71073","MoKα","","0.0425","0.0341","","","0.086","0.091","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230495","8.3607","0.0002","12.4053","0.0004","17.8932","0.0006","90","","98.132","0.003","90","","1837.17","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diaquabis(<i>N</i>,<i>N</i>'-diethylnicotinamide-κ<i>N</i>^1^)bis(4- ethylbenzoato-κ<i>O</i>)copper(II)","","- C38 H50 Cu N4 O8 -","- C38 H50 Cu N4 O8 -","- C76 H100 Cu2 N8 O16 -","2","1","SU2274","Necefoğlu, Hacali; Maracı, Ali; Aktaş, Vedat; Tercan, Barış; Hökelek, Tuncer","Diaquabis(<i>N</i>,<i>N</i>'-diethylnicotinamide-κ<i>N</i>^1^)bis(4-ethylbenzoato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","6","m780","m781","10.1107/S1600536811018666","","","0.71073","MoKα","","0.0807","0.0561","","","0.1175","0.1304","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230496","11.6673","0.0003","15.5511","0.0004","21.4339","0.0007","90","","99.213","0.001","90","","3838.79","0.19","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[tetrakis(cyanido-κ<i>C</i>)tungstate(IV)]-di-μ-cyanido- κ^4^<i>C</i>:<i>N</i>-bis[diaqua(2,2'-bipyridyl- κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-cyanido-κ^4^<i>N</i>:<i>C</i>] hexahydrate]","","- C28 H34 Mn2 N12 O10 W -","- C28 H34 Mn2 N12 O10 W -","- C112 H136 Mn8 N48 O40 W4 -","4","1","TK2734","Ozaki, Noriaki; Yamada, Ryo; Nakabayashi, Koji; Ohkoshi, Shin-ichi","<i>catena</i>-Poly[[[tetrakis(cyanido-κ<i>C</i>)tungstate(IV)]-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-bis[diaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-cyanido-κ^4^<i>N</i>:<i>C</i>] hexahydrate]","Acta Crystallographica Section E","2011","67","6","m702","m703","10.1107/S1600536811012451","","","0.71075","MoKα","","0.0446","0.0358","","","0.0748","0.0786","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230497","11.1067","0.0008","11.9406","0.0009","14.693","0.0011","90","","106.315","0.002","90","","1870.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","12-Anilinomethyl-9α-hydroxy-4,8-dimethyl-3,14- dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","2","TK2738","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed","12-Anilinomethyl-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2011","67","6","o1388","o1389","10.1107/S1600536811015303","","","0.71073","MoKα","","0.0494","0.0438","","","0.1209","0.1309","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230498","26.193","0.003","9.8005","0.0011","16.295","0.0018","90","","90","","90","","4183","0.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[dinitrato[μ~3~-2,4,6-tris(4-pyridyl)-1,3,5-triazine]cobalt(II)]","","- C18 H12 Co N8 O6 -","- C18 H12 Co N8 O6 -","- C144 H96 Co8 N64 O48 -","8","1","TK2740","Wang, Ya-Ping; Zhang, Ning; He, Xiang; Shao, Min; Li, Ming-Xing","Poly[dinitrato[μ~3~-2,4,6-tris(4-pyridyl)-1,3,5-triazine]cobalt(II)]","Acta Crystallographica Section E","2011","67","6","m751","","10.1107/S1600536811017661","","","0.71073","MoKα","","0.0598","0.0401","","","0.0959","0.1076","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230499","10.1354","0.0008","10.55","0.001","15.6055","0.0012","90","","96.68","0.007","90","","1657.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1<i>E</i>,2<i>E</i>)-1,2-Bis(3-bromo-4-methoxybenzylidene)hydrazine","","- C16 H14 Br2 N2 O2 -","- C16 H14 Br2 N2 O2 -","- C64 H56 Br8 N8 O8 -","4","1","TK2741","Jasinski, Jerry P.; Golen, James A.; Chidan Kumar, C. S.; Narayana, B.; Yathirajan, H. S.","(1<i>E</i>,2<i>E</i>)-1,2-Bis(3-bromo-4-methoxybenzylidene)hydrazine","Acta Crystallographica Section E","2011","67","6","o1379","","10.1107/S1600536811016904","","","0.71073","MoKα","","0.0919","0.0527","","","0.1045","0.12","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230500","8.785","0.001","8.914","0.001","9.313","0.001","103.12","0.01","107.14","0.01","94.2","0.01","670.98","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2-Chlorophenylsulfonyl)-2,2-dimethylpropanamide","","- C11 H14 Cl N O3 S -","- C11 H14 Cl N O3 S -","- C22 H28 Cl2 N2 O6 S2 -","2","1","TK2742","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorophenylsulfonyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2011","67","6","o1400","","10.1107/S1600536811017429","","","0.71073","MoKα","","0.0431","0.0361","","","0.1021","0.107","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230501","15.242","0.004","4.905","0.001","21.54","0.005","90","","102.9","0.02","90","","1569.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Methylphenyl)-<i>N</i>'-phenylbutanediamide monohydrate","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","TK2744","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Methylphenyl)-<i>N</i>'-phenylbutanediamide monohydrate","Acta Crystallographica Section E","2011","67","6","o1495","","10.1107/S1600536811018915","","","0.71073","MoKα","","0.2276","0.1173","","","0.196","0.2392","","","","","","1.163","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230502","9.0617","0.0018","13.259","0.003","14.06","0.003","90","","102.47","0.03","90","","1649.4","0.6","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3-methylpyridinium) tetra(chlorido/bromido)cuprate(II)","","- C12 H16 Br0.6 Cl3.4 Cu N2 -","- C12 H16 Br0.6 Cl3.4 Cu N2 -","- C48 H64 Br2.4 Cl13.6 Cu4 N8 -","4","1","TK2745","Kim, Young-Inn; Lim, Hyun-Soo; Kang, Sung Kwon","Bis(3-methylpyridinium) tetra(chlorido/bromido)cuprate(II)","Acta Crystallographica Section E","2011","67","6","m793","m794","10.1107/S1600536811019076","","","0.71073","MoKα","","0.071","0.0349","","","","0.089","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230503","10.624","0.001","11.165","0.001","13.845","0.002","74.643","0.008","67.654","0.007","82.195","0.008","1463.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-<i>N</i>-(2,5-dimethylphenyl)benzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","2","TK2748","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","6","o1541","","10.1107/S1600536811019660","","","0.71073","MoKα","","0.0592","0.0404","","","0.108","0.1181","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230504","7.5947","0.0015","8.8202","0.0018","13.084","0.003","76.62","0.03","76.39","0.03","82.35","0.03","825.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,5-Bis(1-phenylethylidene)thiocarbonohydrazide","","- C17 H18 N4 S -","- C17 H18 N4 S -","- C34 H36 N8 S2 -","2","1","VM2088","Feng, Lei; Ji, Haiwei; Wang, Renliang; Ge, Haiyan; Li, Li","1,5-Bis(1-phenylethylidene)thiocarbonohydrazide","Acta Crystallographica Section E","2011","67","6","o1514","","10.1107/S1600536811018320","","","0.71073","MoKα","","0.0688","0.0468","","","0.1276","0.1457","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230505","8.694","0.002","10.119","0.002","16.801","0.004","76.67","0.013","79.448","0.012","77.19","0.013","1388.8","0.5","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","Iodido{4-phenyl-1-[1-(1,3-thiazol-2-yl- κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>',<i>S</i>}{4- phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide- κ<i>S</i>}mercury(II)","","- C24 H23 Hg I N8 S4 -","- C24 H23 Hg I N8 S4 -","- C48 H46 Hg2 I2 N16 S8 -","2","1","VM2089","Dasary, Samuel S. R.; Arumugam, Sri Ranjini; Yu, Hongtao; Venkatraman, Ramaiyer; Fronczek, Frank R.","Iodido{4-phenyl-1-[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>',<i>S</i>}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide-κ<i>S</i>}mercury(II)","Acta Crystallographica Section E","2011","67","6","m816","m817","10.1107/S160053681101974X","","","0.71073","MoKα","","0.073","0.042","","","0.077","0.085","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230506","6.6028","0.0008","14.9207","0.0018","16.3505","0.0019","90","","90","","90","","1610.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Methyl-<i>N</i>-phenyl-2-(quinolin-8-yloxy)acetamide monohydrate","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","VM2091","Zhi, Li-Hua; Wu, Wei-Na; Li, Shu; Li, Yun-Long; Cai, Xiao-Dong","<i>N</i>-Methyl-<i>N</i>-phenyl-2-(quinolin-8-yloxy)acetamide monohydrate","Acta Crystallographica Section E","2011","67","6","o1420","","10.1107/S1600536811017181","","","0.71073","MoKα","","0.053","0.0389","","","0.0932","0.1009","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230507","10.8925","0.0005","14.7291","0.0007","12.2205","0.0006","90","","90","","90","","1960.62","0.16","296","2","296","2","","","","","","","","6","C c c m","-C 2 2c","66","","Bis(diethylenetriamine)cobalt(III) hexachloridoindate(III)","","- C8 H26 Cl6 Co In N6 -","- C8 H26 Cl6 Co In N6 -","- C32 H104 Cl24 Co4 In4 N24 -","4","0.25","VM2092","Wu, Qihui; Chen, Shangwen; Zhang, Cailing; Zhi, Xia; Chen, Zelin","Bis(diethylenetriamine)cobalt(III) hexachloridoindate(III)","Acta Crystallographica Section E","2011","67","6","m731","","10.1107/S1600536811016758","","","0.71073","MoKα","","0.0214","0.0183","","","0.0442","0.0457","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230508","7.09","0.0014","7.482","0.0015","12.68","0.003","95.34","0.03","96.36","0.03","115.76","0.03","594.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","2-(o-tolyloxy)benzoic acid","2-(<i>o</i>-Tolyloxy)benzoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C28 H24 O6 -","2","1","VM2093","Xu, Jia-Ying; Cheng, Wei-Hua; Zhu, Xun; Gu, Dong-ya","2-(<i>o</i>-Tolyloxy)benzoic acid","Acta Crystallographica Section E","2011","67","6","o1394","","10.1107/S1600536811017119","","","0.71073","MoKα","","0.0831","0.055","","","0.1592","0.1783","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230509","9.2187","0.0002","9.4914","0.0002","14.5384","0.0004","90","","97.846","0.002","90","","1260.18","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-[4-(Diethylamino)benzylidene]malononitrile","2-{[4-(diethylamino)phenyl]methylidene}propanedinitrile","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","VM2094","Jing, Yi; Yu, Luo-Ting","2-[4-(Diethylamino)benzylidene]malononitrile","Acta Crystallographica Section E","2011","67","6","o1556","","10.1107/S1600536811019295","","","0.7107","MoKα","","0.0472","0.0378","","","0.0884","0.0946","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230510","12.9702","0.0002","9.2104","0.0001","13.4145","0.0002","90","","100.692","0.001","90","","1574.68","0.04","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(5-Nitropyridin-2-yl)-5<i>H</i>- dibenzo[<i>d</i>,<i>f</i>][1,3]diazepine-6-carboxamide","","- C19 H13 N5 O3 -","- C19 H13 N5 O3 -","- C76 H52 N20 O12 -","4","1","VM2095","Seidler, Tomasz; Gryl, Marlena; Trzewik, Bartosz; Stadnicka, Katarzyna","<i>N</i>-(5-Nitropyridin-2-yl)-5<i>H</i>-dibenzo[<i>d</i>,<i>f</i>][1,3]diazepine-6-carboxamide","Acta Crystallographica Section E","2011","67","6","o1507","","10.1107/S1600536811018629","","","0.71073","MoKα","","0.0432","0.0361","","","0.1074","0.1101","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230511","4.243","0.0008","17.151","0.003","9.164","0.0018","90","","96.82","0.03","90","","662.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-5-chloromethyl-1,3-thiazole","","- C4 H3 Cl2 N S -","- C4 H3 Cl2 N S -","- C16 H12 Cl8 N4 S4 -","4","1","VM2096","Zhao, Ling-Ling; Cheng, Wei-Hua; Cai, Zhao-Sheng","2-Chloro-5-chloromethyl-1,3-thiazole","Acta Crystallographica Section E","2011","67","6","o1531","","10.1107/S1600536811019052","","","0.71073","MoKα","","0.0617","0.0428","","","0.1338","0.1506","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230512","7.543","0.001","7.828","0.001","17.109","0.002","94.25","0.001","100.93","0.001","92.465","0.001","987.5","0.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-1,3-benzothiazol-3-ium) tetrachloridozincate(II)","","- C14 H14 Cl4 N4 S2 Zn -","- C14 H14 Cl4 N4 S2 Zn -","- C28 H28 Cl8 N8 S4 Zn2 -","2","1","VN2006","Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frédéric; Ben Nasr, Cherif","Bis(2-amino-1,3-benzothiazol-3-ium) tetrachloridozincate(II)","Acta Crystallographica Section E","2011","67","6","m654","m655","10.1107/S1600536811015753","","","0.7107","MoKα","","0.073","0.0544","","0.1112","0.0929","0.1112","","","","","","0.938","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230513","8.3367","0.0004","9.3131","0.0005","8.4838","0.0005","90","","92.352","0.003","90","","658.13","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diimidazole-μ~4~-oxalato-μ~2~-oxalato-dicopper(II)]","","- C10 H8 Cu2 N4 O8 -","- C10 H8 Cu2 N4 O8 -","- C20 H16 Cu4 N8 O16 -","2","0.5","WM2473","Jin, Zhu-Nian; Lin, Hong","Poly[diimidazole-μ~4~-oxalato-μ~2~-oxalato-dicopper(II)]","Acta Crystallographica Section E","2011","67","6","m680","","10.1107/S1600536811015777","","","0.71073","MoKα","","","0.0222","","","0.0602","0.0623","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230514","15.564","0.003","11.937","0.002","8.8946","0.0018","90","","99.69","0.03","90","","1628.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[4-(2-hydroxybenzylideneamino)benzoato-κ<i>O</i>^1^]tetrakis(methanol- κ<i>O</i>)cadmium","","- C32 H36 Cd N2 O10 -","- C32 H36 Cd N2 O10 -","- C64 H72 Cd2 N4 O20 -","2","0.5","WM2478","Wang, Ying; Wang, Xia; Li, Yu-Xian; Yang, Huai-Xia; Liu, Yan-Ju","Bis[4-(2-hydroxybenzylideneamino)benzoato-κ<i>O</i>^1^]tetrakis(methanol-κ<i>O</i>)cadmium","Acta Crystallographica Section E","2011","67","6","m685","m686","10.1107/S1600536811015364","","","0.71073","MoKα","","0.0969","0.0715","","","0.1466","0.1662","","","","","","1.131","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230515","6.8737","0.0014","7.3565","0.0011","7.6141","0.0014","80.74","0.014","72.397","0.017","83.484","0.014","361.35","0.12","292","","292","","","","","","","","","5","P -1","-P 1","2","Dipotassium cobalt(II) bis(dihydrogen-diphosphate) dihydrate","dipotassium cobalt(II) bis(dihydrogendiphosphate) dihydrate","","- Co H8 K2 O16 P4 -","- Co H8 K2 O16 P4 -","- Co H8 K2 O16 P4 -","1","0.5","WM2482","Lamhamdi, Abdellatif; Essehli, Rachid; El Bali, Brahim; Dušek, Michal; Fejfarová, Karla","The triclinic form of dipotassium cobalt(II) bis(dihydrogendiphosphate) dihydrate","Acta Crystallographica Section E","2011","67","6","i37","i38","10.1107/S1600536811016345","","","0.71069","MoKα","","0.0547","0.0382","","","0.0846","0.0898","","","","","","1.17","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230516","5.99","0.0001","11.8529","0.0002","18.4737","0.0003","90","","91.778","0.001","90","","1310.98","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~2~-chlorido-tri-μ~2~-terephthalato-tetralead(II)]","","- C24 H12 Cl2 O12 Pb4 -","- C24 H12 Cl2 O12 Pb4 -","- C48 H24 Cl4 O24 Pb8 -","2","0.5","WM2483","Yang, Lei; Li, Zhongyue; Li, Guanghua","Poly[di-μ~2~-chlorido-tri-μ~2~-terephthalato-tetralead(II)]","Acta Crystallographica Section E","2011","67","6","m761","","10.1107/S160053681101779X","","","0.71073","MoKα","","0.0355","0.032","","","0.0894","0.092","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230517","12.2264","0.0002","11.3442","0.0002","13.3455","0.0002","90","","96.865","0.001","90","","1837.73","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-methylpiperidinium) tetrachloridocuprate(II)","","- C12 H28 Cl4 Cu N2 -","- C12 H28 Cl4 Cu N2 -","- C48 H112 Cl16 Cu4 N8 -","4","1","WM2484","Reynolds, Bryan J.; Bond, Marcus R.","Bis(1-methylpiperidinium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2011","67","6","m725","m726","10.1107/S1600536811016382","","","0.71073","MoKα","","0.0482","0.0299","","","0.061","0.0668","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230518","8.365","0.004","9.296","0.005","10.209","0.005","87.57","0.02","70.082","0.017","66.103","0.017","678.2","0.6","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","bis(μ~2~-ethanethiolato)-1:2κ^2^<i>S</i>:<i>S</i>;3:4κ^2^<i>S</i>:<i>S</i>-(μ~4~-disulfido-1:2:3:4κ^4^<i>S</i>:<i>S</i>:<i>S</i>':<i>S</i>')tetrakis[tricarbonyliron(II)](2 <i>Fe</i>—<i>Fe</i>)","","- C16 H10 Fe4 O12 S4 -","- C16 H10 Fe4 O12 S4 -","- C16 H10 Fe4 O12 S4 -","1","0.5","WM2485","Si, Youtao; Chen, Hui; Chen, Chang Neng","A triclinic polymorph of bis(μ~2~-ethanethiolato)-1:2κ^2^<i>S</i>:<i>S</i>;3:4κ^2^<i>S</i>:<i>S</i>-(μ~4~-disulfido-1:2:3:4κ^4^<i>S</i>:<i>S</i>:<i>S</i>':<i>S</i>')tetrakis[tricarbonyliron(II)](2 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2011","67","6","m752","m753","10.1107/S1600536811017405","","","0.71073","MoKα","","0.0892","0.0475","","","0.0845","0.1003","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230519","9.011","0.003","10.923","0.003","11.92","0.004","83.76","0.003","87.626","0.003","71.601","0.003","1106.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-benzoato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lead(II)]","","- C52 H36 N4 O8 Pb2 -","- C52 H36 N4 O8 Pb2 -","- C52 H36 N4 O8 Pb2 -","1","0.5","WM2486","Li, Hong-Jin; Gao, Zhu-Qing; Gu, Jin-Zhong","Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]","Acta Crystallographica Section E","2011","67","6","m778","","10.1107/S160053681101840X","","","0.71073","MoKα","","0.0498","0.0335","","","0.0657","0.0688","","","","","","0.964","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230520","24.683","0.005","27.885","0.006","8.734","0.0017","90","","90","","90","","6011","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Diaqua[5,5'-dicarboxy-2,2'-(ethane-1,2-diyl)bis(1<i>H</i>-imidazole-4- carboxylato)]cobalt(II)","","- C12 H12 Co N4 O10 -","- C12 H12 Co N4 O10 -","- C192 H192 Co16 N64 O160 -","16","1","WM2487","Wang, Ying; Gao, Xin-Lian","Diaqua[5,5'-dicarboxy-2,2'-(ethane-1,2-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]cobalt(II)","Acta Crystallographica Section E","2011","67","6","m815","","10.1107/S1600536811019672","","","0.71073","MoKα","","0.0587","0.0466","","","0.0737","0.0794","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230521","9.1436","0.0017","10.103","0.002","13.939","0.002","99.239","0.015","106.55","0.014","107.417","0.018","1134.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan- 7-yl}-4-methylbenzamide","","- C24 H26 F N3 O4 -","- C24 H26 F N3 O4 -","- C48 H52 F2 N6 O8 -","2","1","WN2425","Vinduvahini, M.; Saha, Binoy Krishna; Mahalakhmi; Revanasiddappa, H. D.; Devarajegowda, H. C.","<i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl}-4-methylbenzamide","Acta Crystallographica Section E","2011","67","6","o1440","o1441","10.1107/S1600536811017946","","","0.71073","MoKα","","0.1021","0.0515","","","0.1207","0.1347","","","","","","0.897","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230522","12.122","0.002","16.3","0.003","9.1766","0.0018","90","","106.29","0.03","90","","1740.4","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy- 6-oxo-1,6-dihydropyrimidine-4-carboxylate","","- C17 H19 N3 O6 -","- C17 H19 N3 O6 -","- C68 H76 N12 O24 -","4","1","WN2426","Shang, Zhenhua; Ha, Jing; Yu, Yifeng; Zhao, Xiaodan","Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate","Acta Crystallographica Section E","2011","67","6","o1336","","10.1107/S1600536811016278","","","0.71073","MoKα","","0.0493","0.0394","","","0.0976","0.1032","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230523","6.853","0.001","11.994","0.002","16.405","0.003","90","","98.28","0.03","90","","1334.4","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-3-(4-nitrobenzyloxy)benzaldehyde","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","WN2430","Duan, Zhong-Yu; Ma, Guo-Li; Yang, Li-Ping","4-Methoxy-3-(4-nitrobenzyloxy)benzaldehyde","Acta Crystallographica Section E","2011","67","6","o1377","","10.1107/S1600536811016618","","","0.71073","MoKα","","0.0786","0.0567","","","0.1214","0.1332","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230524","14.5434","0.0014","5.8198","0.0006","23.045","0.002","90","","90","","90","","1950.5","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","<i>N</i>-(Pyridin-2-ylmethyl)pyridin-2-amine","","- C11 H11 N3 -","- C11 H11 N3 -","- C88 H88 N24 -","8","2","WN2432","Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min","<i>N</i>-(Pyridin-2-ylmethyl)pyridin-2-amine","Acta Crystallographica Section E","2011","67","6","o1355","","10.1107/S1600536811016874","","","0.71073","MoKα","","0.0681","0.0541","","","0.1167","0.1243","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230525","7.9374","0.0006","13.4144","0.0012","13.479","0.001","90","","103.386","0.005","90","","1396.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-(2,4-dichlorophenyl)-2-(prop-2-enyloxy)ethyl]-1<i>H</i>-imidazole","","- C14 H14 Cl2 N2 O -","- C14 H14 Cl2 N2 O -","- C56 H56 Cl8 N8 O4 -","4","1","WN2433","Cheon, Sanghun; Shin, Yong Woon; Park, Ki-Min; Kim, Jineun; Kim, Tae Ho","Imazalil: 1-[2-(2,4-dichlorophenyl)-2-(prop-2-enyloxy)ethyl]-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","6","o1459","","10.1107/S1600536811018241","","","0.71073","MoKα","","0.0671","0.0457","","","0.1074","0.119","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230526","9.5423","0.0006","13.4727","0.0009","18.4251","0.0013","90","","90","","90","","2368.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Neoline","(1α,6α,14α,16β)-<i>N</i>-ethyl-6,16- dimethoxy-4-methoxymethylaconitane-1,8,14-triol","","- C24 H39 N O6 -","- C24 H39 N O6 -","- C96 H156 N4 O24 -","4","1","XU5165","Liu, Wei; Gou, Xiong-Jun; Song, Qin; Chen, Feng-Zheng","Neoline from <i>Aconitum flavum</i> Hand","Acta Crystallographica Section E","2011","67","6","o1435","","10.1107/S1600536811015170","","","0.71073","MoKα","","0.0651","0.0579","","","0.1696","0.1768","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230527","11.856","0.004","12.197","0.004","12.507","0.004","90","","114.622","0.003","90","","1644.2","0.9","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole- κ^2^<i>N</i>^3^,<i>N</i>^3'^)(thiodiacetato- κ^3^<i>O</i>,<i>S</i>,<i>O</i>')nickel(II) monohydrate","","- C10 H14 N4 Ni O6 S3 -","- C10 H14 N4 Ni O6 S3 -","- C40 H56 N16 Ni4 O24 S12 -","4","1","XU5191","Wang, Yan-Li; Chang, Guang-Jun; Liu, Bing-Xin","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')nickel(II) monohydrate","Acta Crystallographica Section E","2011","67","6","m681","","10.1107/S1600536811015157","","","0.71073","MoKα","","0.0249","0.0221","","","0.0593","0.0608","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230528","11.4324","0.0005","12.8606","0.0005","13.0104","0.0005","62.837","0.001","64.11","0.001","88.783","0.001","1492.72","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(<i>N</i>,<i>N</i>-Diethylnicotinamide-κ<i>N</i>^1^)bis[4,4,4-trifluoro-1- (thien-2-yl)butane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II)","","- C26 H22 Cu F6 N2 O5 S2 -","- C26 H22 Cu F6 N2 O5 S2 -","- C52 H44 Cu2 F12 N4 O10 S4 -","2","1","XU5194","Maharramov, Abel M.; Mardanova, Vusala I.; Chyraqov, Famil; Gurbanov, Atash V.; Ng, Seik Weng","(<i>N</i>,<i>N</i>-Diethylnicotinamide-κ<i>N</i>^1^)bis[4,4,4-trifluoro-1-(thien-2-yl)butane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II)","Acta Crystallographica Section E","2011","67","6","m708","m709","10.1107/S1600536811014401","","","0.71073","MoKα","","0.0616","0.0475","","","0.1374","0.1517","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230529","7.5502","0.0012","10.6264","0.0017","12.687","0.002","92.219","0.002","104.88","0.002","93.769","0.002","980","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(oxydiacetato- κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')copper(II) dihydrate","","- C14 H26 Cu N4 O8 -","- C14 H26 Cu N4 O8 -","- C28 H52 Cu2 N8 O16 -","2","1","XU5195","Wang, Yan-Li; Chang, Guang-Jun; Liu, Bing-Xin","Aquabis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')copper(II) dihydrate","Acta Crystallographica Section E","2011","67","6","m682","","10.1107/S1600536811015169","","","0.71073","MoKα","","0.0684","0.0505","","","0.1227","0.1334","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230530","7.229","0.001","8.8959","0.0012","9.3541","0.0015","65.769","0.001","88.587","0.002","70.676","0.001","513.31","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)zinc trihydrate","","- C14 H24 N4 O13 Zn -","- C14 H24 N4 O13 Zn -","- C14 H24 N4 O13 Zn -","1","0.5","XU5200","Zhang, Gang","Diaquabis(5-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)zinc trihydrate","Acta Crystallographica Section E","2011","67","6","m717","","10.1107/S160053681101676X","","","0.71073","MoKα","","0.0508","0.0414","","","0.1115","0.1194","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230531","11.1509","0.0003","7.0871","0.0002","35.2592","0.0005","90","","97.914","0.004","90","","2759.91","0.12","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Naphthalen-1-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4<i>H</i>)-one","","- C18 H11 N O2 S -","- C18 H11 N O2 S -","- C144 H88 N8 O16 S8 -","8","2","XU5202","Gündoğdu, Cevher; Alp, Serap; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer","2-(Naphthalen-1-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1321","o1322","10.1107/S1600536811016151","","","0.71073","MoKα","","0.1198","0.0541","","","0.1052","0.1332","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230532","9.233","0.0003","7.211","0.0002","14.7678","0.0004","90","","99.313","0.003","90","","970.27","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Rauniticine-<i>allo</i>-oxindole B methanol monosolvate","2-oxo-1,2,2',3',5',5'a,6',9'a,10',10'a-decahydrospiro[indole-3,1'- pyrano[3,4-<i>f</i>]indolizine]-9'-carboxylic acid methanol monosolvate","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C42 H52 N4 O10 -","2","1","XU5205","Salim, Fatimah; Ahmad, Rohaya; Ismail, Nor Hadiani; Hazni, Hazrina; Ng, Seik Weng","Rauniticine-<i>allo</i>-oxindole B methanol monosolvate","Acta Crystallographica Section E","2011","67","6","o1345","","10.1107/S1600536811016710","","","0.71073","MoKα","","0.0435","0.0374","","","0.0882","0.0927","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230533","10.759","0.0001","7.3189","0.0001","28.9222","0.0003","90","","90","","90","","2277.45","0.04","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-{[2-(4-Chlorophenyl)hydrazinylidene]methyl}phenol","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C104 H88 Cl8 N16 O8 -","8","1","XU5209","Lo, Kong Mun; Ng, Seik Weng","2-{[2-(4-Chlorophenyl)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E","2011","67","6","o1452","","10.1107/S1600536811017958","","","0.71073","MoKα","","0.0354","0.0314","","","0.0858","0.089","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230534","21.7956","0.0003","11.8536","0.0002","9.4155","0.0001","90","","101.687","0.0009","90","","2382.12","0.06","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-Chloro-2-hydroxybenzaldehyde 4-ethylthiosemicarbazone","","- C10 H12 Cl N3 O S -","- C10 H12 Cl N3 O S -","- C80 H96 Cl8 N24 O8 S8 -","8","1","XU5210","Lo, Kong Mun; Ng, Seik Weng","5-Chloro-2-hydroxybenzaldehyde 4-ethylthiosemicarbazone","Acta Crystallographica Section E","2011","67","6","o1453","","10.1107/S160053681101796X","","","0.71073","MoKα","","0.0357","0.0289","","","0.0792","0.0848","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230535","8.031","0.019","8.034","0.019","9.55","0.02","103.97","0.02","101.9","0.02","115.879","0.018","503","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(nitrato-κ<i>O</i>)(3-oxapentane-1,5-diamine- κ^3^<i>N</i>,<i>O</i>,<i>N</i>')zinc(II)","","- C4 H12 N4 O7 Zn -","- C4 H12 N4 O7 Zn -","- C8 H24 N8 O14 Zn2 -","2","1","XU5211","Jia, Fei; Kou, Fan; Liu, Bin; Jia, Bei-Bei; Wu, Hui-Lu","Bis(nitrato-κ<i>O</i>)(3-oxapentane-1,5-diamine-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2011","67","6","m764","","10.1107/S1600536811018010","","","0.71073","MoKα","","0.0306","0.0264","","","0.063","0.0647","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230536","5.2616","0.0005","7.9316","0.0007","16.8063","0.0014","89.183","0.002","84.541","0.002","72.557","0.002","666.01","0.1","295","","295","","","","","","","","","5","P -1","-P 1","2","","[μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']bis[aqua(pyridine- 2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] dihydrate","","- C26 H24 Cu2 N4 O12 -","- C26 H24 Cu2 N4 O12 -","- C26 H24 Cu2 N4 O12 -","1","0.5","XU5212","Lush, Shie Fu","[μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']bis[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] dihydrate","Acta Crystallographica Section E","2011","67","6","m775","","10.1107/S1600536811018411","","","0.71073","MoKα","","0.0609","0.0539","","","0.1229","0.1257","","","","","","1.232","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230537","13.903","0.004","14.146","0.004","19.33","0.005","90.595","0.003","110.89","0.003","106.325","0.003","3382.5","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis[<i>N</i>,<i>N</i>-bis(1-allyl-1<i>H</i>-benzimidazol-2- ylmethyl-κ<i>N</i>^3^)benzylamine-κ^N^]cadmium dipicrate","","- C70 H62 Cd N16 O14 -","- C70 H62 Cd N16 O14 -","- C140 H124 Cd2 N32 O28 -","2","1","XU5213","Yuan, Jing-Kun; Bai, Ying; Kou, Fan; Jia, Fei; Wu, Hui-Lu","Bis[<i>N</i>,<i>N</i>-bis(1-allyl-1<i>H</i>-benzimidazol-2-ylmethyl-κ<i>N</i>^3^)benzylamine-κ<i>N</i>]cadmium dipicrate","Acta Crystallographica Section E","2011","67","6","m800","m801","10.1107/S1600536811019180","","","0.71073","MoKα","","0.0682","0.0473","","","0.1117","0.1249","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230538","10.5881","0.0003","5.7355","0.0002","26.9746","0.0007","90","","108.67","0.002","90","","1551.91","0.08","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Methylphenyl)-3-[(1-phenylethylidene)amino]thiourea","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C64 H68 N12 S4 -","4","1","XU5214","Zhang, Yan-Ling; Wu, Chang-Zeng; Zhang, Fu-Juan","(<i>E</i>)-1-(4-Methylphenyl)-3-[(1-phenylethylidene)amino]thiourea","Acta Crystallographica Section E","2011","67","6","o1547","","10.1107/S1600536811019404","","","1.5418","CuKα","","0.0494","0.0438","","","0.1197","0.1262","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230539","7.3195","0.0005","9.8635","0.0007","18.6724","0.0011","90","","96.586","0.006","90","","1339.17","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-4,5-dimethoxycyclopent- 4-ene-1,3-dione","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","XU5217","Hosseinzadeh, Masoumeh; Mukhtar, Mat Ropi; Mohamad, Jamaludin; Awang, Khalijah; Ng, Seik Weng","Whole-molecule disordered (<i>E</i>)-2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-4,5-dimethoxycyclopent-4-ene-1,3-dione isolated from <i>Lindera oxyphylla</i> (Lauraceae)","Acta Crystallographica Section E","2011","67","6","o1544","","10.1107/S1600536811019386","","","0.71073","MoKα","","0.0792","0.0679","","","0.1797","0.1899","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230540","10.838","0.003","7.2601","0.0017","15.526","0.004","90","","90","","90","","1221.7","0.5","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(Hydroxymethyl)furan-2-carboxylic acid","","- C6 H6 O4 -","- C6 H6 O4 -","- C48 H48 O32 -","8","1","XU5218","Liu, Jun-Liang; Xu, Qing-Yan","5-(Hydroxymethyl)furan-2-carboxylic acid","Acta Crystallographica Section E","2011","67","6","o1548","","10.1107/S1600536811019489","","","0.71073","MoKα","","0.0377","0.0354","","","0.0882","0.0899","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230541","14.8377","0.0013","6.2597","0.0007","25.743","0.003","90","","104.9","0.003","90","","2310.6","0.4","210","2","210","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cobalt(II) butyrate 1.7-hydrate","<i>catena</i>-Poly[[cobalt(II)-μ-aqua-di-μ-butanoato- κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>] 0.7-hydrate]","","- C8 H17.4 Co O5.7 -","- C8 H16 Co O5.7 -","- C64 H128 Co8 O45.6 -","8","1","YA2137","Fischer, A. I.; Gurzhiy, V. V.; Belyaev, A. N.","<i>catena</i>-Poly[[cobalt(II)-μ-aqua-di-μ-butanoato-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>] 0.7-hydrate]","Acta Crystallographica Section E","2011","67","6","m807","m808","10.1107/S1600536811019271","","","0.71073","MoKα","","0.076","0.042","","","0.087","0.096","","","","","","0.82","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2230542","7.3241","0.0012","9.529","0.0016","11.1895","0.0018","107.471","0.003","92.822","0.003","101.547","0.003","724.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(pyridine-3-carboxylic acid-κ<i>N</i>)(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) monohydrate","","- C13 H12 Cu N2 O8 -","- C13 H12 Cu N2 O8 -","- C26 H24 Cu2 N4 O16 -","2","1","YK2006","Chen, Ting Ting; Shang, Yan Fang; Xi, Xia; Zhang, Yue Hua; Wang, Nan Ping","Aqua(pyridine-3-carboxylic acid-κ<i>N</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) monohydrate","Acta Crystallographica Section E","2011","67","6","m809","","10.1107/S160053681101926X","","","0.71073","MoKα","","0.0604","0.0473","","","0.0848","0.0885","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230543","15.03","0.003","8.4813","0.0017","10.071","0.002","90","","107.36","0.03","90","","1225.3","0.5","195","2","195","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>P</i>,<i>P</i>-Triisopropylphosphinic amide","","- C9 H22 N O P -","- C9 H22 N O P -","- C36 H88 N4 O4 P4 -","4","1","YK2008","Peulecke, Normen; Aluri, Bhaskar R.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","<i>N</i>,<i>P</i>,<i>P</i>-Triisopropylphosphinic amide","Acta Crystallographica Section E","2011","67","6","o1474","","10.1107/S1600536811018551","","","0.71073","MoKα","","0.0594","0.039","","","0.0868","0.0909","","","","","","0.894","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230544","13.5295","0.0002","9.91538","0.00018","17.5297","0.0002","90","","90","","90","","2351.61","0.06","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)cadmium","","- C26 H16 Cd N6 S2 -","- C26 H16 Cd N6 S2 -","- C104 H64 Cd4 N24 S8 -","4","0.5","ZJ2006","Vallejo, Daniel; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)cadmium","Acta Crystallographica Section E","2011","67","6","m704","m705","10.1107/S160053681101289X","","","0.71073","MoKα","","0.052","0.0398","","","0.1124","0.1172","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230545","19.1936","0.0012","8.7181","0.0004","19.7619","0.0009","90","","99.513","0.005","90","","3261.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>tert</i>-Butyl <i>N</i>-{2-[bis(prop-2-yn-1-yl)amino]phenyl}carbamate","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","1","ZJ2008","Singh, Manavendra K.; Agarwal, Alka; Mahawar, Charu; Awasthi, Satish K.","<i>tert</i>-Butyl <i>N</i>-{2-[bis(prop-2-yn-1-yl)amino]phenyl}carbamate","Acta Crystallographica Section E","2011","67","6","o1382","","10.1107/S1600536811016862","","","0.71073","MoKα","","0.0905","0.0535","","","0.1267","0.1564","","","","","","0.96","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230546","6.8349","0.0005","11.1246","0.0008","12.191","0.0009","96.109","0.006","96.404","0.006","107.381","0.006","869.51","0.12","296","","296","","","","","","","","","5","P -1","-P 1","2","","Aqua(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(pyridine-2,6- dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zinc monohydrate","","- C17 H16 N4 O6 Zn -","- C17 H16 N4 O6 Zn -","- C34 H32 N8 O12 Zn2 -","2","1","ZJ2009","Durkaya, Figen; Dege, Necmi; Demirtaş, Güneş; Uçar, Ibrahim","Aqua(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zinc monohydrate","Acta Crystallographica Section E","2011","67","6","m687","","10.1107/S1600536811015571","","","0.71073","MoKα","","0.0322","0.0278","","","0.0689","0.0708","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230547","9.5089","0.0008","13.9137","0.0011","13.3747","0.0012","90","","96.263","0.001","90","","1759","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Amino-3-methyl-4-(3-nitrophenyl)-1-phenyl-1<i>H</i>,4<i>H</i>- pyrano[2,3-<i>c</i>]pyrazole-5-carbonitrile","","- C20 H15 N5 O3 -","- C20 H15 N5 O3 -","- C80 H60 N20 O12 -","4","1","ZK2006","Wu, Ming-Shu; Kong, Du-Lin; Zhang, Xiang-Zhu","6-Amino-3-methyl-4-(3-nitrophenyl)-1-phenyl-1<i>H</i>,4<i>H</i>-pyrano[2,3-<i>c</i>]pyrazole-5-carbonitrile","Acta Crystallographica Section E","2011","67","6","o1454","o1455","10.1107/S1600536811017387","","","0.71073","MoKα","","0.0812","0.042","","","0.0916","0.1211","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230548","9.563","0.0005","9.8747","0.0005","16.1808","0.0007","90","","120.673","0.002","90","","1314.21","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)[μ~2~-1,4-bis(3- pyridylmethyl)piperazine]dizinc(II)]","","- C26 H26 N4 O10 Zn2 -","- C26 H26 N4 O10 Zn2 -","- C52 H52 N8 O20 Zn4 -","2","0.5","ZK2007","Zhang, Hui-Feng; Li, Yan; Zhao, Wen-Xiu; Zhao, Liang-Zhong; Zhang, Duo","Poly[diaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)[μ~2~-1,4-bis(3-pyridylmethyl)piperazine]dizinc(II)]","Acta Crystallographica Section E","2011","67","6","m784","m785","10.1107/S1600536811018721","","","0.71073","MoKα","","0.0364","0.0277","","","0.0677","0.0712","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230549","6.5884","0.0013","6.8296","0.0014","10.46","0.002","85.98","0.03","89.79","0.03","65.38","0.03","426.65","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato)copper(II)","","- C20 H14 Cu O10 -","- C20 H14 Cu O10 -","- C20 H14 Cu O10 -","1","0.5","ZK2008","Cui, Yue; Gao, Qian; Wang, Huan-Huan; Wang, Lin; Xie, Ya-Bo","Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato)copper(II)","Acta Crystallographica Section E","2011","67","6","m782","","10.1107/S1600536811018708","","","0.71073","MoKα","","0.0265","0.0263","","","0.0794","0.0796","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230550","8.1768","0.0016","9.0613","0.0018","15.591","0.003","90","","94.56","0.03","90","","1151.5","0.4","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyl-6-deoxy-3,6-iminomethylene-1,2,3,5-<i>O</i>-tetraacetyl- α-D-1(<i>S</i>)-epiallofuranose","","- C22 H27 N O9 -","- C22 H27 N O9 -","- C44 H54 N2 O18 -","2","1","ZK2010","Zhang, Qiurong; Wu, Chunli; Li, Pengyun; Cheng, Weiyan; Liu, Hongmin","<i>N</i>-Benzyl-6-deoxy-3,6-iminomethylene-1,2,3,5-<i>O</i>-tetraacetyl-α-<small>D</small>-1(<i>S</i>)-epiallofuranose","Acta Crystallographica Section E","2011","67","6","o1545","","10.1107/S1600536811019702","","","0.71073","MoKα","","0.052","0.0426","","","0.1024","0.1068","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230551","15.309","0.002","4.5653","0.0006","11.8332","0.0015","90","","113.253","0.007","90","","759.85","0.18","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","4-{2-[2-(4-Formylphenoxy)ethoxy]ethoxy}benzaldehyde","","- C18 H18 O5 -","- C18 H18 O5 -","- C36 H36 O10 -","2","0.5","ZL2368","Ma, Zhen; Cao, Yiqun","4-{2-[2-(4-Formylphenoxy)ethoxy]ethoxy}benzaldehyde","Acta Crystallographica Section E","2011","67","6","o1503","","10.1107/S1600536811018150","","","0.71073","MoKα","","0.0448","0.0364","","","0.0964","0.1014","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230552","5.3226","0.0006","11.5541","0.0013","14.5931","0.0018","90","","97.34","0.007","90","","890.09","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7,9-bis(hydroxymethyl)-uric acid","7,9-Bis(hydroxymethyl)-7<i>H</i>-purine- 2,6,8(1<i>H</i>,3<i>H</i>,9<i>H</i>)trione","","- C7 H8 N4 O5 -","- C7 H8 N4 O5 -","- C28 H32 N16 O20 -","4","1","ZL2370","Daudon, M.; Bazin, D.; Adil, K.; Bail, A. Le","7,9-Bis(hydroxymethyl)-7<i>H</i>-purine-2,6,8(1<i>H</i>,3<i>H</i>,9<i>H</i>)trione","Acta Crystallographica Section E","2011","67","6","o1458","","10.1107/S1600536811018186","","","0.71073","MoKα","","0.088","0.0559","","","0.1444","0.1655","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230553","10.891","0.002","11.522","0.002","16.99","0.003","90","","90","","90","","2132","0.7","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridoiron(III) perchlorate","","- C20 H16 Cl3 Fe N4 O4 -","- C20 H16 Cl3 Fe N4 O4 -","- C80 H64 Cl12 Fe4 N16 O16 -","4","1","ZQ2098","Zhang, Zhi-Fang","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridoiron(III) perchlorate","Acta Crystallographica Section E","2011","67","6","m677","","10.1107/S1600536811016035","","","0.71073","MoKα","","0.0797","0.0633","","","0.1147","0.1248","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230554","7.269","0.0002","8.0039","0.0003","13.7968","0.0005","76.839","0.001","88.561","0.001","77.506","0.001","762.86","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Fluorophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O2 S -","- C36 H34 F2 O4 S2 -","2","1","ZQ2099","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-(3-Fluorophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","6","o1323","","10.1107/S1600536811016102","","","0.71073","MoKα","","0.0487","0.0407","","","0.1026","0.1071","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230555","9.1188","0.0018","15.774","0.003","19.393","0.004","90","","90","","90","","2789.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>S</i>)-Benzyl 3-(4-hydroxyphenyl)-2-(tritylamino)propanoate","(<i>S</i>)-Benzyl 3-(4-hydroxyphenyl)-2-[(triphenylmethyl)amino]propanoate","","- C35 H31 N O3 -","- C35 H31 N O3 -","- C140 H124 N4 O12 -","4","1","ZQ2100","Chen, Meimei; Lai, Xinmei; Zhou, Changen; Yang, Xuemei","(<i>S</i>)-Benzyl 3-(4-hydroxyphenyl)-2-(tritylamino)propanoate","Acta Crystallographica Section E","2011","67","6","o1412","","10.1107/S1600536811017351","","","0.71073","MoKα","","0.0658","0.0413","","","0.0839","0.0925","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230556","18.728","0.003","11.8971","0.0018","16.695","0.003","90","","121.522","0.003","90","","3170.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dichloridobis[(6-nicotinoyl-2-pyridyl-κ<i>N</i>^6^)(3-pyridyl- κ<i>N</i>)methanone]copper(II)","","- C34 H22 Cl2 Cu N6 O4 -","- C34 H22 Cl2 Cu N6 O4 -","- C136 H88 Cl8 Cu4 N24 O16 -","4","0.5","ZQ2102","Qiang, Hong; Zhang, Fan","<i>trans</i>-Dichloridobis[(6-nicotinoyl-2-pyridyl-κ<i>N</i>^6^)(3-pyridyl-κ<i>N</i>)methanone]copper(II)","Acta Crystallographica Section E","2011","67","6","m758","","10.1107/S1600536811017685","","","0.71073","MoKα","","0.0362","0.0286","","","0.0779","0.0844","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230557","25.7625","0.0012","6.4852","0.0003","17.397","0.0009","90","","127.377","0.002","90","","2309.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","adamantane-1-ammonium acetate","Adamantane-1-ammonium acetate","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C96 H168 N8 O16 -","8","1","ZS2106","de Vries, Elise J. C.; Gamble, Caryn; Nowakowska, Monika","Adamantane-1-ammonium acetate","Acta Crystallographica Section E","2011","67","6","o1339","","10.1107/S1600536811012670","","","0.71073","MoKα","","0.0987","0.0518","","","0.1102","0.1335","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230558","4.5246","0.0002","9.6484","0.0004","19.3133","0.0009","90","","91.324","0.004","90","","842.9","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","methyl 2-amino-3,4,5,6-tetrafluorobenzoate","","- C8 H5 F4 N O2 -","- C8 H5 F4 N O2 -","- C32 H20 F16 N4 O8 -","4","1","ZS2108","Guo, Wei; Liao, Xiao-Jian; Li, Guo-Qiang; Xu, Shi-Hai","Methyl 2-amino-3,4,5,6-tetrafluorobenzoate","Acta Crystallographica Section E","2011","67","6","o1511","","10.1107/S1600536811015182","","","1.5418","CuKα","","0.0523","0.0487","","","0.1349","0.1404","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230559","10.991","0.002","28.417","0.006","14.008","0.003","90","","105.47","0.03","90","","4216.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-(Biphenyl-2,2'-diyldioxy)-3,3,5,5-tetrakis(4- bromomethylphenoxy)cyclotriphosphazene","","- C40 H32 Br4 N3 O6 P3 -","- C40 H32 Br4 N3 O6 P3 -","- C160 H128 Br16 N12 O24 P12 -","4","1","ZS2109","Han, Rui; Chai, Mei-Mei; Yang, Jun-Liang; Ye, Yong","1,1-(Biphenyl-2,2'-diyldioxy)-3,3,5,5-tetrakis(4-bromomethylphenoxy)cyclotriphosphazene","Acta Crystallographica Section E","2011","67","6","o1298","","10.1107/S1600536811016047","","","0.71073","MoKα","","0.1332","0.0765","","","0.1632","0.1915","","","","","","1.109","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230560","7.4579","0.0015","9.787","0.002","19.534","0.004","90","","94.87","0.03","90","","1420.6","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,4-dinitropyrazole benzene 0.25-solvate","3,4-Dinitro-1<i>H</i>-pyrazole benzene 0.25-solvate","","- C9 H7 N8 O8 -","- C9 H7 N8 O8 -","- C36 H28 N32 O32 -","4","1","ZS2110","Li, Yong-Xiang; Du, Shan; Wang, Jian-Long","3,4-Dinitro-1<i>H</i>-pyrazole benzene 0.25-solvate","Acta Crystallographica Section E","2011","67","6","o1369","","10.1107/S1600536811015996","","","0.71073","MoKα","","0.135","0.0601","","","0.0955","0.1046","","","","","","0.918","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230561","15.7181","0.0002","24.9338","0.0003","15.1048","0.0002","90","","90","","90","","5919.75","0.13","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Tetrakis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(nitrato-κ<i>O</i>)copper(II) nitrate","","- C28 H24 Cu N10 O6 -","- C28 H24 Cu N10 O6 -","- C224 H192 Cu8 N80 O48 -","8","1","ZS2111","Zhou, Fu-Lin; Ng, Seik Weng","Tetrakis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(nitrato-κ<i>O</i>)copper(II) nitrate","Acta Crystallographica Section E","2011","67","6","m792","","10.1107/S1600536811018885","","","1.5418","CuKα","","0.0417","0.0396","","","0.1135","0.1165","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230562","10.0697","0.0001","31.8793","0.0004","21.3259","0.0003","90","","100.43","0.0006","90","","6732.81","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tribenzylchlorido(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","","- C39 H36 Cl O P Sn -","- C39 H36 Cl O P Sn -","- C312 H288 Cl8 O8 P8 Sn8 -","8","2","ZS2112","Lo, Kong Mun; Ng, Seik Weng","Tribenzylchlorido(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2011","67","6","m810","","10.1107/S160053681101957X","","","0.71073","MoKα","","0.0409","0.0308","","","0.0677","0.0719","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230563","13.1735","0.0004","20.0061","0.0007","20.2427","0.0007","62.669","0.003","86.263","0.003","76.979","0.003","4613","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(triethylammonium) dihydrogenodecavanadate(V)","","- C24 H66 N4 O28 V10 -","- C24 H66 N4 O28 V10 -","- C96 H264 N16 O112 V40 -","4","2","ZS2113","Ng, Seik Weng","Triclinic modification of tetrakis(triethylammonium) dihydrogenodecavanadate(V)","Acta Crystallographica Section E","2011","67","6","m811","m812","10.1107/S1600536811019696","","","0.71073","MoKα","","0.0862","0.0494","","","0.1062","0.1334","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230564","9.8501","0.0006","12.088","0.0007","15.4883","0.001","90","","90","","90","","1844.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-(1-Methylindolin-2-yl)-1,3-diphenylpropan-2-ol","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","ZS2115","Lin, Ning; Chen, Miao-Miao; Deng, Yan-Qiu; Luo, Ren-Shi; Ng, Seik Weng","(<i>S</i>)-2-(1-Methylindolin-2-yl)-1,3-diphenylpropan-2-ol","Acta Crystallographica Section E","2011","67","6","o1515","","10.1107/S1600536811019143","","","0.71073","MoKα","","0.0496","0.0444","","","0.1152","0.1199","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230565","10.371","0.003","12.615","0.003","13.39","0.003","108.24","0.004","105.568","0.004","108.154","0.004","1445.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(2-{[2-(2-Aminoethylamino)ethylimino]methyl}phenolato- κ^4^<i>O</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II) perchlorate","","- C11 H16 Cl Cu N3 O5 -","- C11 H16 Cl Cu N3 O5 -","- C44 H64 Cl4 Cu4 N12 O20 -","4","2","AA2008","Dieng, Moussa; Barry, Aliou Hamady; Gaye, Mohamed; Sall, Abdou Salam; Pérez-Lourido, Paulo; Valencia-Matarranz, Laura","(2-{[2-(2-Aminoethylamino)ethylimino]methyl}phenolato-κ^4^<i>O</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II) perchlorate","Acta Crystallographica Section E","2011","67","7","m830","m831","10.1107/S1600536811020095","","","0.71073","MoKα","","0.0507","0.0373","","","0.1058","0.131","","","","","","1.043","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230566","7.0428","0.0007","6.415","0.0006","17.5804","0.0018","90","","96.16","0.002","90","","789.69","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Chloro-1-phenyl-1<i>H</i>-tetrazole","","- C7 H5 Cl N4 -","- C7 H5 Cl N4 -","- C28 H20 Cl4 N16 -","4","1","AA2009","Wang, Xiu Guang; Wang, Ying","5-Chloro-1-phenyl-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2011","67","7","o1633","","10.1107/S1600536811021210","","","0.71073","MoKα","","0.0386","0.0326","","","0.0874","0.0924","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230567","19.928","0.004","9.5038","0.0019","15.073","0.003","90","","109.9","0.03","90","","2684.2","1.1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-propyl-1<i>H</i>-imidazol-3-ium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cadmate(II)","","- C26 H28 Cd N6 O8 -","- C26 H28 Cd N6 O8 -","- C104 H112 Cd4 N24 O32 -","4","0.5","AA2014","Dong, Gui-Ying; Liu, Tong-Fei; He, Cui-Hong; Deng, Xiao-Chen; Shi, Xiao-Ge","Bis(2-propyl-1<i>H</i>-imidazol-3-ium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cadmate(II)","Acta Crystallographica Section E","2011","67","7","m1007","","10.1107/S1600536811024792","","","0.71073","MoKα","","0.0352","0.0314","","","0.064","0.0651","","","","","","1.188","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230568","9.842","0.002","13.151","0.003","13.552","0.003","74.43","0.03","81.92","0.03","69.12","0.03","1576.8","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[(<i>E</i>)-2-(Benzylideneamino)ethyl]-3',6'- bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one","","- C37 H40 N4 O2 -","- C37 H40 N4 O2 -","- C74 H80 N8 O4 -","2","1","BG2398","Wei, Zhen; Zheng, Xujun; Bai, Junjun; Zhai, Xiaohong; Song, Lili","2-[(<i>E</i>)-2-(Benzylideneamino)ethyl]-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one","Acta Crystallographica Section E","2011","67","7","o1733","","10.1107/S1600536811020320","","","0.71073","MoKα","","0.079","0.057","","","0.1541","0.1738","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230569","8.351","0.005","14.012","0.009","19.833","0.013","90","","93.281","0.007","90","","2317","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)borato]cobalt(II)","","- C20 H32 B2 Co N8 -","- C20 H32 B2 Co N8 -","- C80 H128 B8 Co4 N32 -","4","1","BG2405","Hossaini Sadr, Moayad; Soltani, Behzad; Engle, James T.; Ziegler, Christopher J.; Taheri, M.","Bis[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)borato]cobalt(II)","Acta Crystallographica Section E","2011","67","7","m866","","10.1107/S1600536811020976","","","0.71073","MoKα","","0.0682","0.0495","","","0.1114","0.1221","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230570","12.485","0.003","9.112","0.003","22.18","0.006","90","","98.537","0.006","90","","2495.3","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[(4-Methylanilino)methyl]benzonitrile","","- C15 H14 N2 -","- C15 H14 N2 -","- C120 H112 N16 -","8","2","BH2348","Wei, Bin","4-[(4-Methylanilino)methyl]benzonitrile","Acta Crystallographica Section E","2011","67","7","o1677","","10.1107/S1600536811020757","","","0.71073","MoKα","","0.0827","0.0591","","","0.1339","0.1461","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230571","9.4912","0.0013","17.64","0.002","18.0655","0.0018","90","","117.2","0.005","90","","2690.1","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricyclohexyl(3,5-dibromo-2-hydroxybenzoato-κ<i>O</i>)tin(IV)","","- C25 H36 Br2 O3 Sn -","- C25 H36 Br2 O3 Sn -","- C100 H144 Br8 O12 Sn4 -","4","1","BH2352","Liu, Xi-Cheng; Jiang, Wen-Tao; Shan, Peng-Cheng; Ding, Wen-Chao","Tricyclohexyl(3,5-dibromo-2-hydroxybenzoato-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2011","67","7","m883","","10.1107/S1600536811020496","","","0.71073","MoKα","","0.0798","0.0482","","","0.1201","0.1355","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230572","10.105","0.009","8.485","0.008","31.37","0.03","90","","90","","90","","2690","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-Nitrophenyl)-4-oxo-4-phenylbutanenitrile","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C128 H96 N16 O24 -","8","1","BH2356","Yang, Jingya; Zhou, Hongyan; Li, Zheng","2-(3-Nitrophenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2011","67","7","o1610","","10.1107/S1600536811021052","","","0.71073","MoKα","","0.09","0.0498","","","0.1048","0.1218","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230573","13.456","0.006","4.803","0.002","14.743","0.006","90","","102.157","0.008","90","","931.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[4-bromo-2-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II)","","- C18 H18 Br2 N2 Ni O2 -","- C18 H18 Br2 N2 Ni O2 -","- C36 H36 Br4 N4 Ni2 O4 -","2","0.5","BH2357","Chen, Fu Li; Zhang, Shu Hua; Guo, Jing Jing; Zhang, Yi Dong; Feng, Chao","Bis[4-bromo-2-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II)","Acta Crystallographica Section E","2011","67","7","m858","","10.1107/S1600536811020885","","","0.71073","MoKα","","0.0857","0.0567","","","0.1343","0.1416","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230574","15.398","0.002","12.132","0.002","14.276","0.002","90","","107.65","0.01","90","","2541.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[(4-Chlorophenyl)diazenyl]-3-methoxyaniline","","- C13 H12 Cl N3 O -","- C13 H12 Cl N3 O -","- C104 H96 Cl8 N24 O8 -","8","1","BH2358","Rofouei, Mohammad Kazem; Ghalami, Zahra; Attar Gharamaleki, Jafar; Bruno, Giuseppe; Amiri Rudbari, Hadi","4-[(4-Chlorophenyl)diazenyl]-3-methoxyaniline","Acta Crystallographica Section E","2011","67","7","o1852","","10.1107/S160053681102472X","","","0.71073","MoKα","","0.0433","0.0388","","","0.1096","0.118","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230575","9.844","0.002","17.084","0.003","12.855","0.003","90","","102.21","0.03","90","","2113","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(4-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)cadmium dihydrate","","- C14 H22 Cd N4 O12 -","- C14 H22 Cd N4 O12 -","- C56 H88 Cd4 N16 O48 -","4","0.5","BH2359","Zhang, Gang; Wang, Yong","Diaquabis(4-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cadmium dihydrate","Acta Crystallographica Section E","2011","67","7","m890","","10.1107/S1600536811021428","","","0.71073","MoKα","","0.0439","0.028","","","0.0543","0.0715","","","","","","1.229","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230576","12.2609","0.0011","12.2772","0.0012","13.8578","0.0012","72.466","0.008","89.664","0.007","61.535","0.01","1724.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Diaquabis(propane-1,3-diamine)copper(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide octasolvate","","- C30 H84 Cr2 Cu N16 O10 S16 -","- C30 H84 Cr2 Cu N16 O10 S16 -","- C30 H84 Cr2 Cu N16 O10 S16 -","1","0.5","BR2167","Nikitina, Vitalina M.; Nesterova, Oksana V.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Rusanova, Julia A.","Diaquabis(propane-1,3-diamine)copper(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide octasolvate","Acta Crystallographica Section E","2011","67","7","m849","m850","10.1107/S160053681102023X","","","0.71073","MoKα","","0.05","0.037","","","0.0901","0.0972","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230577","10.2611","0.0003","16.9967","0.0004","11.4808","0.0003","90","","93.812","0.002","90","","1997.88","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[hemi(hexaaquazinc) [[μ~2~-1,3-bis(1,2,4-triazol-1-yl)methane](μ~2~-5-sulfonatobenzene- 1,3-dicarboxylato)zinc] sesquihydrate]","","- C13 H17 N6 O11.5 S Zn1.5 -","- C13 H17 N6 O11.5 S Zn1.5 -","- C52 H68 N24 O46 S4 Zn6 -","4","1","BR2168","Liu, Shang-Yuan; Tian, Li","Poly[hemi(hexaaquazinc) [[μ~2~-1,3-bis(1,2,4-triazol-1-yl)methane](μ~2~-5-sulfonatobenzene-1,3-dicarboxylato)zinc] sesquihydrate]","Acta Crystallographica Section E","2011","67","7","m950","m951","10.1107/S1600536811022835","","","0.71073","MoKα","","0.0608","0.0485","","","0.1497","0.1549","","","","","","1.114","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230578","17.9226","0.0007","17.9226","0.0007","7.8877","0.0006","90","","90","","90","","2533.7","0.2","291","2","291","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidomolybdate(V)","","- C48 H40 Mo N16 O12 Tb -","- C48 H40 Mo N16 O12 Tb -","- C96 H80 Mo2 N32 O24 Tb2 -","2","0.25","BT5505","Qian, Su-Yan; Yuan, Ai-Hua","Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidomolybdate(V)","Acta Crystallographica Section E","2011","67","7","m845","","10.1107/S1600536811020022","","","0.71073","MoKα","","0.0176","0.0158","","","0.0416","0.0429","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230579","5.8052","0.0002","7.701","0.0003","27.4363","0.0008","90","","90","","90","","1226.56","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(3-Methylphenyl)-3-phenyl-1,2-oxazole","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","BT5513","Balakrishnan, B.; Praveen, C.; Seshadri, P. R.; Perumal, P. T.","5-(3-Methylphenyl)-3-phenyl-1,2-oxazole","Acta Crystallographica Section E","2011","67","7","o1575","","10.1107/S1600536811020198","","","0.71073","MoKα","","0.0517","0.039","","","0.0963","0.1086","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230580","13.3009","0.0005","13.6141","0.0005","11.4912","0.0004","90","","111.276","0.004","90","","1939","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,7,8,9,10,10-Hexachloro-4-(2-phenylethyl)-4-azatricyclo[5.2.1.0^2,6^]dec- 8-ene-3,5-dione","","- C17 H11 Cl6 N O2 -","- C17 H11 Cl6 N O2 -","- C68 H44 Cl24 N4 O8 -","4","1","BT5543","Manohar, R.; Harikrishna, M.; Ramanathan, C. R.; SureshKumar, M.; Gunasekaran, K.","1,7,8,9,10,10-Hexachloro-4-(2-phenylethyl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","Acta Crystallographica Section E","2011","67","7","o1708","","10.1107/S1600536811022495","","","0.71073","MoKα","","0.074","0.042","","","0.1074","0.1214","","","","","","0.723","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230581","8.6227","0.0017","10.133","0.002","13.448","0.003","81.36","0.03","76.73","0.03","65.38","0.03","1037.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Propane-1,2-diaminium bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cadmate dihydrate","","- C17 H22 Cd N4 O10 -","- C17 H22 Cd N4 O10 -","- C34 H44 Cd2 N8 O20 -","2","1","BT5545","Aghabozorg, Hossein; Khazaie, Zeynab; Agah, Ali Akbar; Saemi, Maryam; Notash, Behrouz","Propane-1,2-diaminium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cadmate dihydrate","Acta Crystallographica Section E","2011","67","7","m982","","10.1107/S160053681102438X","","","0.71073","MoKα","","0.0438","0.0303","","","0.0596","0.063","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230582","6.7262","0.0013","17.109","0.003","13.101","0.003","90","","95.89","0.03","90","","1499.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(2-Chlorophenyl)-4-(4-nitrophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)- thione","","- C14 H9 Cl N4 O2 S -","- C14 H9 Cl N4 O2 S -","- C56 H36 Cl4 N16 O8 S4 -","4","1","BT5548","Nikoo, Abbas; Akbari Dilmaghani, Karim; Hassanzadeh, Ali; Notash, Behrouz","3-(2-Chlorophenyl)-4-(4-nitrophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","7","o1612","","10.1107/S1600536811020459","","","0.71073","MoKα","","0.106","0.0724","","","0.1602","0.174","","","","","","1.176","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230583","5.842","0.0002","7.3366","0.0002","12.7922","0.0003","74.56","0.001","83.091","0.001","68.93","0.001","492.97","0.02","293","2","293","2","","","","","","","","3","P 1","P 1","1","","Androstane-3β,5α,6β,17β-tetrol trihydrate","","- C19 H38 O7 -","- C19 H38 O7 -","- C19 H38 O7 -","1","1","BT5554","Andrade, L. C. R.; de Almeida, M. J. B. M.; Paixão, J. A.; Carvalho, J. F. S.; Sá e Melo, M. L.","Androstane-3β,5α,6β,17β-tetrol trihydrate","Acta Crystallographica Section E","2011","67","7","o1643","o1644","10.1107/S1600536811021349","","","0.71073","MoKα","","0.0327","0.0311","","","0.0813","0.0824","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230584","7.9214","0.0002","21.9667","0.0006","14.5621","0.0004","90","","95.722","0.002","90","","2521.28","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-[2-(1<i>H</i>-benzotriazol-1-yl)acetyl]-4-hydroxy-2,6-diphenyl- 1,2,5,6-tetrahydropyridine-3-carboxylate","","- C28 H26 N4 O4 -","- C28 H26 N4 O4 -","- C112 H104 N16 O16 -","4","1","BT5557","Aridoss, G.; Sundaramoorthy, S.; Velmurugan, D.; Jeong, Y. T.","Ethyl 1-[2-(1<i>H</i>-benzotriazol-1-yl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2011","67","7","o1574","","10.1107/S1600536811020241","","","0.71073","MoKα","","0.0788","0.0466","","","0.1118","0.1281","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230585","5.7387","0.0007","7.9037","0.001","13.6496","0.0019","80.793","0.012","79.997","0.011","77.426","0.01","590.24","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Methyl 4-[(pyrimidin-2-yl)carbamoyl]benzoate","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","BT5561","Lu, Chun-Hsiang; Wu, Chia-Jun; Yeh, Chun-Wei; Hu, Hui-Ling; Chen, Jhy-Der","Methyl 4-[(pyrimidin-2-yl)carbamoyl]benzoate","Acta Crystallographica Section E","2011","67","7","o1858","","10.1107/S1600536811025190","","","0.71073","MoKα","","0.0771","0.0446","","","0.1017","0.1193","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230586","13.7958","0.0014","7.888","0.0008","14.4219","0.0016","90","","104.672","0.001","90","","1518.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-<i>N</i>'-(2-oxidobenzylidene)thiophene-2- carbohydrazidato]bis[dimethanolnickel(II)]","","- C28 H32 N4 Ni2 O8 S2 -","- C28 H32 N4 Ni2 O8 S2 -","- C56 H64 N8 Ni4 O16 S4 -","2","0.5","BV2181","Ma, Jian-Hua; Wu, Wen-Shi; Zhang, Xiao-Qing; Tang, Sheng-Jiao; Lin, Xin-Yong","Bis[μ-<i>N</i>'-(2-oxidobenzylidene)thiophene-2-carbohydrazidato]bis[dimethanolnickel(II)]","Acta Crystallographica Section E","2011","67","7","m910","","10.1107/S160053681102143X","","","0.71073","MoKα","","0.0431","0.037","","","0.0857","0.0888","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230587","9.924","0.009","14.533","0.013","16.99","0.016","69.947","0.013","86.549","0.014","83.807","0.014","2288","4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Poly[[hexakis(μ-benzene-1,4-dicarboxylato)octakis(<i>N</i>,<i>N</i>- dimethylacetamide)hexamanganese(II)] monohydrate]","","- C80 H98 Mn6 N8 O33 -","- C80 H98 Mn6 N8 O33 -","- C80 H98 Mn6 N8 O33 -","1","0.5","BX2348","Zhang, Ying; Chu, Chao-Xia; Li, Yi-Zhi","Poly[[hexakis(μ-benzene-1,4-dicarboxylato)octakis(<i>N</i>,<i>N</i>-dimethylacetamide)hexamanganese(II)] monohydrate]","Acta Crystallographica Section E","2011","67","7","m843","m844","10.1107/S1600536811020010","","","0.71073","MoKα","","0.0819","0.0581","","","0.1152","0.1212","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230588","6.2953","0.0013","16.835","0.003","6.8288","0.0014","90","","102.03","0.03","90","","707.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethylenediaminium dinicotinate","","- C14 H18 N4 O4 -","- C14 H18 N4 O4 -","- C28 H36 N8 O8 -","2","0.5","BX2355","Zhao, Liang; Feng, Li-ping","Ethylenediaminium dinicotinate","Acta Crystallographica Section E","2011","67","7","o1789","","10.1107/S1600536811023877","","","0.71073","MoKα","","0.0878","0.0619","","","0.1368","0.1474","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230589","7.3702","0.0008","24.131","0.002","9.24","0.001","90","","106.745","0.005","90","","1573.7","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Amino-3-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)- 3-(2-furyl)-1-phenylpropan-1-one","","- C16 H16 N4 O2 S -","- C16 H16 N4 O2 S -","- C64 H64 N16 O8 S4 -","4","1","CV5087","Gao, Yan; Wang, Lu; Wang, He-wen","3-(4-Amino-3-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-3-(2-furyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2011","67","7","o1609","","10.1107/S1600536811020988","","","0.71073","MoKα","","0.068","0.0488","","","0.1087","0.119","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230590","11.1473","0.0004","13.0795","0.0006","7.5875","0.0004","90","","97.467","0.003","90","","1096.88","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dimethoxy-2,5-bis{2-[4-(trifluoromethyl)phenyl]ethynyl}benzene","","- C26 H16 F6 O2 -","- C26 H16 F6 O2 -","- C52 H32 F12 O4 -","2","0.5","CV5093","Zhao, Baohai; Lin, Jimao; Zhao, Cuihua; Wang, Ziying","1,4-Dimethoxy-2,5-bis{2-[4-(trifluoromethyl)phenyl]ethynyl}benzene","Acta Crystallographica Section E","2011","67","7","o1601","","10.1107/S160053681102099X","","","0.71073","MoKα","","0.0646","0.0422","","","0.1043","0.1172","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230591","7.053","0.0008","12.8699","0.0013","15.7701","0.0017","90","","98.18","0.001","90","","1416.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[(2-Chloro-4-nitrophenylimino)methyl]naphthalen-2-ol","","- C17 H11 Cl N2 O3 -","- C17 H11 Cl N2 O3 -","- C68 H44 Cl4 N8 O12 -","4","1","CV5095","Wang, Juangang; Zhang, Jun; Yang, Peipei; Chen, Tiedan","(<i>E</i>)-1-[(2-Chloro-4-nitrophenylimino)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2011","67","7","o1618","","10.1107/S1600536811021374","","","0.71073","MoKα","","0.2069","0.0796","","","0.1544","0.1851","","","","","","0.92","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230592","7.1399","0.0019","11.757","0.003","13.508","0.004","90","","90","","90","","1133.9","0.5","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)zinc","","- C8 H10 N4 O6 Zn -","- C8 H10 N4 O6 Zn -","- C32 H40 N16 O24 Zn4 -","4","0.5","CV5098","Shuai, Wenlin; Cai, Songliang; Zheng, Shengrun","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)zinc","Acta Crystallographica Section E","2011","67","7","m897","","10.1107/S1600536811020800","","","0.71073","MoKα","","0.0271","0.0229","","","0.0639","0.0662","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230593","7.245","0.002","8.686","0.003","13.142","0.004","93.938","0.004","95.619","0.004","95.793","0.004","816.3","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dihydroquinoxaline-2,3-dione‒5-nitroisophthalic acid‒water (1/1/1)","","- C16 H13 N3 O9 -","- C16 H13 N3 O9 -","- C32 H26 N6 O18 -","2","1","CV5099","Wang, Ming-Feng","1,4-Dihydroquinoxaline-2,3-dione‒5-nitroisophthalic acid‒water (1/1/1)","Acta Crystallographica Section E","2011","67","7","o1581","","10.1107/S1600536811020873","","","0.71073","MoKα","","0.039","0.0333","","","0.0902","0.095","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230594","11.1347","0.0013","13.3721","0.0016","11.9999","0.0015","90","","104.083","0.006","90","","1733","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)nicotinohydrazide acetonitrile monosolvate","","- C15 H12 I2 N4 O2 -","- C15 H12 I2 N4 O2 -","- C60 H48 I8 N16 O8 -","4","1","CV5102","Sun, Shan-Shan; Liu, Shi-Yong; Zheng, Ting-Ting; Wang, Xiao-Ling","(<i>E</i>)-<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)nicotinohydrazide acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","7","o1624","","10.1107/S1600536811020770","","","0.71073","MoKα","","0.0428","0.0279","","","0.0569","0.0622","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230595","7.176","0.002","7.179","0.002","15.395","0.004","83.82","0.018","89.953","0.018","80.19","0.018","776.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-(2-Chloro-5-nitrobenzylidene)-3-methoxybenzohydrazide monohydrate","","- C15 H14 Cl N3 O5 -","- C15 H14 Cl N3 O5 -","- C30 H28 Cl2 N6 O10 -","2","1","CV5103","Liu, Shi-Yong; Wang, Xiao-Ling","(<i>E</i>)-<i>N</i>'-(2-Chloro-5-nitrobenzylidene)-3-methoxybenzohydrazide monohydrate","Acta Crystallographica Section E","2011","67","7","o1625","","10.1107/S1600536811020769","","","0.71073","MoKα","","0.1033","0.0609","","","0.1554","0.1847","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230596","7.4731","0.0003","9.9742","0.0007","16.4066","0.0012","90","","90","","90","","1222.92","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,6,8-Trihydroxy-3,4,5,7-tetramethyl-3,4-dihydroisocoumarin","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","CV5104","Tao, Yi-Wen; Wang, Yun","3,6,8-Trihydroxy-3,4,5,7-tetramethyl-3,4-dihydroisocoumarin","Acta Crystallographica Section E","2011","67","7","o1675","","10.1107/S1600536811021751","","","1.54178","CuKα","","0.0253","0.0248","","","0.0688","0.0694","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230597","10.559","0.003","10.787","0.004","10.835","0.003","99.582","0.002","96.638","0.004","115.267","0.003","1076.1","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Amino-3-phenyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)- 3-(2-chlorophenyl)-1-phenylpropan-1-one","","- C23 H19 Cl N4 O S -","- C23 H19 Cl N4 O S -","- C46 H38 Cl2 N8 O2 S2 -","2","1","CV5107","Gao, Yan; Zhang, Li-hua; Wang, He-wen","3-(4-Amino-3-phenyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-3-(2-chlorophenyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2011","67","7","o1794","","10.1107/S1600536811023750","","","0.71073","MoKα","","0.0442","0.0315","","","0.0759","0.0788","","","","","","0.948","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230598","11.534","0.002","12.389","0.003","12.853","0.003","63.4","0.03","67.63","0.03","65.99","0.03","1455.2","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 4,5-diphenyl-3,6-bis(trimethylsilyl)benzene-1,2-dicarboxylate","","- C30 H38 O4 Si2 -","- C30 H38 O4 Si2 -","- C60 H76 O8 Si4 -","2","1","CV5108","Zhang, Jing; Qu, Hongmei; Zhang, Zhenyu; Zhou, Lishan","Diethyl 4,5-diphenyl-3,6-bis(trimethylsilyl)benzene-1,2-dicarboxylate","Acta Crystallographica Section E","2011","67","7","o1864","","10.1107/S160053681102397X","","","0.71073","MoKα","","0.0781","0.0462","","","0.1167","0.1265","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230599","10.9873","0.0012","11.822","0.0014","17.438","0.003","90","","94.828","0.007","90","","2257","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-[4-Amino-3-(4-methylphenyl)-5-sulfanylidene-4,5-dihydro-1<i>H</i>- 1,2,4-triazol-1-yl]-3-(2-chlorophenyl)-1-phenylpropan-1-one","","- C24 H21 Cl N4 O S -","- C24 H21 Cl N4 O S -","- C96 H84 Cl4 N16 O4 S4 -","4","1","CV5109","Wang, Wei; Liu, Qing-lei; Jia, Xiao-yu; Zhang, Jing-jing; Gao, Yan","3-[4-Amino-3-(4-methylphenyl)-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl]-3-(2-chlorophenyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2011","67","7","o1793","","10.1107/S1600536811023993","","","0.71073","MoKα","","0.0807","0.0603","","","0.1331","0.1447","","","","","","1.112","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230600","5.0676","0.0009","22.769","0.004","6.6725","0.0009","90","","113.733","0.01","90","","704.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)iron(II)","","- C10 H10 Fe N4 O10 -","- C10 H10 Fe N4 O10 -","- C20 H20 Fe2 N8 O20 -","2","0.5","CV5111","Du, Chao-Jun; Song, Xing-Hua; Wang, Li-Sheng; Du, Chao-Ling","Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)iron(II)","Acta Crystallographica Section E","2011","67","7","m997","","10.1107/S1600536811024779","","","0.71073","MoKα","","0.0498","0.034","","","0.0739","0.0795","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230601","10.448","0.003","10.853","0.003","14.462","0.004","102.518","0.005","94.156","0.005","108.605","0.005","1499.4","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-2-phenyl-1<i>H</i>-benzimidazole‒4,4'-(cyclohexane-1,1-diyl)diphenol (1/1)","","- C38 H36 N2 O2 -","- C38 H36 N2 O2 -","- C76 H72 N4 O4 -","2","1","CV5112","Ge, Chunhua; Zhang, Rui; Zhang, Xiangdong; Li, Su","1-Benzyl-2-phenyl-1<i>H</i>-benzimidazole‒4,4'-(cyclohexane-1,1-diyl)diphenol (1/1)","Acta Crystallographica Section E","2011","67","7","o1829","","10.1107/S1600536811024007","","","0.71073","MoKα","","0.1056","0.0691","","","0.1258","0.14","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230602","8.613","0.0009","5.9961","0.0004","13.1284","0.0012","90","","97.935","0.019","90","","671.52","0.11","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Thiophen-2-yl)ethyl 4-methylbenzenesulfonate","","- C13 H14 O3 S2 -","- C13 H14 O3 S2 -","- C26 H28 O6 S4 -","2","1","CV5113","Liang, Yan-Shu; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke","2-(Thiophen-2-yl)ethyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","7","o1787","","10.1107/S1600536811023907","","","0.71073","MoKα","","0.0419","0.0349","","","0.0859","0.0877","","","","","","0.827","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230603","12.564","0.003","9.14","0.002","18.131","0.003","90","","127.281","0.012","90","","1656.7","0.7","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(1<i>H</i>-benzimidazol-1-yl)but-2-ene","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","1","CV5116","Dong, Gui-Ying; Liu, Tong-Fei; Jiao, Cui-Huan; Deng, Xiao-Chen; Shi, Xiao-Ge","1,4-Bis(1<i>H</i>-benzimidazol-1-yl)but-2-ene","Acta Crystallographica Section E","2011","67","7","o1797","","10.1107/S1600536811024251","","","0.71073","MoKα","","0.0971","0.0521","","","0.1196","0.1333","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230604","28.421","0.011","8.009","0.004","14.896","0.008","90","","112.654","0.018","90","","3129","3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9-(2-Chlorobenzyloxy)-6,7-dihydro-2<i>H</i>- benzo[<i>c</i>][1,2,4]triazolo[4,3-<i>a</i>]azepin-3(5<i>H</i>)-one","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C144 H128 Cl8 N24 O16 -","8","1","CV5117","Jin, Da-Cheng; Zhang, Wen-Bin; Piao, Feng-Yu; Han, Rong-Bi","9-(2-Chlorobenzyloxy)-6,7-dihydro-2<i>H</i>-benzo[<i>c</i>][1,2,4]triazolo[4,3-<i>a</i>]azepin-3(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1821","","10.1107/S1600536811024470","","","0.71073","MoKα","","0.0454","0.0396","","","0.1092","0.1126","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230605","8.7266","0.0003","16.6916","0.0006","11.0857","0.0004","90","","105.79","0.004","90","","1553.82","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-4a-(4-Nitrobenzyl)-2,3,4,4a-tetrahydro-1<i>H</i>-carbazole","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","DN2687","Zhou, Hua; Ou, Shi-Yi; Yan, Ri-An; Liao, Xiao-Jian","(±)-4a-(4-Nitrobenzyl)-2,3,4,4a-tetrahydro-1<i>H</i>-carbazole","Acta Crystallographica Section E","2011","67","7","o1573","","10.1107/S1600536811020277","","","1.5418","CuKα","","0.0498","0.0424","","","0.1091","0.1162","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230606","13.6902","0.0009","13.7659","0.0009","16.9518","0.0011","79.022","0.001","73.492","0.001","64.439","0.001","2754.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,10-phenanthroline)cadmium 3,3'-dicarboxy-4,4'‒diazenediyldibenzoate‒ 4,4'-diazenediyldiphthalic acid‒methanol (1/0.5/1)","","- C61 H41 Cd N9 O13 -","- C60 H37 Cd N9 O12 -","- C120 H74 Cd2 N18 O24 -","2","1","DN2688","Wang, Jun; Lu, Lu; Wei-Ping, Wu; He, Xi-Yang; Tao, Wang","Tris(1,10-phenanthroline)cadmium 3,3'-dicarboxy-4,4'-diazenediyldibenzoate‒4,4'-diazenediyldiphthalic acid‒methanol (1/0.5/1)","Acta Crystallographica Section E","2011","67","7","m867","m868","10.1107/S160053681102068X","","","0.71073","MoKα","","0.0466","0.0353","","","0.0972","0.1028","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230607","9.1449","0.0002","10.827","0.0003","13.1344","0.0003","90","","90","","90","","1300.46","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(5-Bromo-1<i>H</i>-indol-3-yl)methyl]dimethylazanium nitrate","","- C11 H14 Br N3 O3 -","- C11 H14 Br N3 O3 -","- C44 H56 Br4 N12 O12 -","4","1","DN2690","Wang, Qing; Fu, Zhong-Ye; Li, Xia; Yu, Liang-Min","[(5-Bromo-1<i>H</i>-indol-3-yl)methyl]dimethylazanium nitrate","Acta Crystallographica Section E","2011","67","7","o1671","","10.1107/S1600536811020034","","","1.54178","CuKα","","0.0349","0.0339","","","0.087","0.0879","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230608","14.689","0.003","10.349","0.002","18.249","0.004","90","","111.22","0.005","90","","2586.1","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Bromobutanoyl)-<i>N</i>'-phenylthiourea","","- C11 H13 Br N2 O S -","- C11 H13 Br N2 O S -","- C88 H104 Br8 N16 O8 S8 -","8","2","DN2691","Yamin, Bohari M.; Othman, Nur Eliyanti Ali","<i>N</i>-(4-Bromobutanoyl)-<i>N</i>'-phenylthiourea","Acta Crystallographica Section E","2011","67","7","o1629","","10.1107/S1600536811021684","","","0.71073","MoKα","","0.1044","0.0577","","","0.1476","0.177","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230609","29.4","0.013","8.553","0.004","14.391","0.006","90","","112.993","0.008","90","","3331","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","methanol[<i>N</i>'-(3-methoxy-2- oxidobenzylidene)benzohydrazidato]dioxidomolybdenum(VI)","","- C16 H16 Mo N2 O6 -","- C16 H16 Mo N2 O6 -","- C128 H128 Mo8 N16 O48 -","8","1","DN2692","Sheikhshoaie, Iran; Langer, Vratislav; Yasrebi, Seyed Ali","A new Mo^VI^ Schiff base complex: methanol[<i>N</i>'-(3-methoxy-2-oxidobenzylidene)benzohydrazidato]dioxidomolybdenum(VI)","Acta Crystallographica Section E","2011","67","7","m839","m840","10.1107/S1600536811020101","","","0.71073","MoKα","","0.0618","0.0382","","","0.0907","0.1042","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230610","11.9038","0.0011","9.7936","0.001","8.1914","0.0012","90","","97.231","0.009","90","","947.37","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N-1,3-thiazol-2-yl-urea phosphate","2-ureido-1,3-thiazol-3-ium dihydrogen phosphate","","- C4 H8 N3 O5 P S -","- C4 H8 N3 O5 P S -","- C16 H32 N12 O20 P4 S4 -","4","1","DN2693","Gubina, Kateryna; Shatrava, Iuliia; Ovchynnikov, Vladimir; Amirkhanov, Vladimir","2-Ureido-1,3-thiazol-3-ium dihydrogen phosphate","Acta Crystallographica Section E","2011","67","7","o1607","","10.1107/S1600536811021337","","","0.71073","MoKα","","0.0467","0.0383","","","0.1027","0.1091","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230611","11.2265","0.0002","21.763","0.0005","14.8001","0.0004","90","","90","","90","","3615.99","0.14","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-4-<i>tert</i>-butyl-2-(4-methoxybenzylidene)-3,4- dihydronaphthalen-1(2<i>H</i>)-one","","- C22 H24 O2 -","- C22 H24 O2 -","- C176 H192 O16 -","8","2","DN2694","Akhazzane, Mohamed; Zouihri, Hafid; Daoudi, Maria; Kerbal, Abdelali; Al Houari, Ghali","(2<i>E</i>)-4-<i>tert</i>-Butyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1828","","10.1107/S1600536811021969","","","0.71073","MoKα","","0.0863","0.0556","","","0.1322","0.1473","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230612","15.9432","0.0019","6.1825","0.0007","12.2668","0.0015","90","","100.166","0.005","90","","1190.1","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sodium <i>p</i>-toluenesulfinate tetrahydrate","","- C7 H15 Na O6 S -","- C7 H15 Na O6 S -","- C28 H60 Na4 O24 S4 -","4","1","DN2695","Betz, Richard; Gerber, Thomas","Sodium <i>p</i>-toluenesulfinate tetrahydrate","Acta Crystallographica Section E","2011","67","7","m898","","10.1107/S1600536811021738","","","0.71073","MoKα","","0.0335","0.0294","","","0.0837","0.0874","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230613","11.2943","0.0006","12.6972","0.0007","13.0711","0.0007","90","","114.251","0.002","90","","1709.06","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[(cyanato-κ<i>O</i>)/hydroxido(0.5/0.5)](5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)tin(IV)","","- C45 H29 N5 O2 Sn -","- C45 H29 N5 O2 Sn -","- C90 H58 N10 O4 Sn2 -","2","0.5","DN2696","Ben Moussa, Imen; Belkhiria, Mohamed Salah; Najmudin, Shabir; Bonifacio, Cecilia; Nasri, Habib","Substitutional disorder in bis[(cyanato-κ<i>O</i>)/hydroxido(0.5/0.5)](5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)tin(IV)","Acta Crystallographica Section E","2011","67","7","m903","m904","10.1107/S1600536811021544","","","0.71073","MoKα","","0.0461","0.0393","","","0.0938","0.0967","","","","","","1.134","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230614","13.7138","0.0004","6.7088","0.0002","25.3217","0.0007","90","","90","","90","","2329.68","0.12","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromo-3-methyl-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C104 H80 Br8 N24 -","8","1","DN2697","Ouzidan, Younes; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","6-Bromo-3-methyl-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2011","67","7","o1684","","10.1107/S1600536811022318","","","0.71073","MoKα","","0.0479","0.0325","","","0.0812","0.0898","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230615","25.488","0.017","7.844","0.006","12.599","0.012","90","","92.39","0.03","90","","2517","4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7-Diethylamino-2-oxo-2<i>H</i>-chromene-3-carbaldehyde","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","DN2698","Li, Hong-Da; Yin, Bing-Zhu","7-Diethylamino-2-oxo-2<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2011","67","7","o1713","","10.1107/S160053681102294X","","","0.71073","MoKα","","0.082","0.0476","","","0.1263","0.1436","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230616","7.6886","0.0014","8.9854","0.0016","10.8188","0.0019","102.508","0.002","90.94","0.002","112.861","0.002","668.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(±)-2-{3-[1-(2,4-Difluorophenyl)ethyl]-1,3-thiazolidin-2-ylidene}malononitrile","","- C14 H11 F2 N3 S -","- C14 H11 F2 N3 S -","- C28 H22 F4 N6 S2 -","2","1","DN2699","Liu, Lei; Song, Tao; Xu, Liang-zhong","(±)-2-{3-[1-(2,4-Difluorophenyl)ethyl]-1,3-thiazolidin-2-ylidene}malononitrile","Acta Crystallographica Section E","2011","67","7","o1774","","10.1107/S1600536811023737","","","0.71073","MoKα","","0.0457","0.041","","","0.1114","0.1156","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230617","10.395","0.004","8.422","0.003","13.155","0.005","90","","110.015","0.006","90","","1082.1","0.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-<i>d</i>]pyrimidin-4-amine","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C44 H52 N12 S4 -","4","1","DS2116","Ziaulla, Mohamed; Banu, Afshan; Begum, Noor Shahina; Panchamukhi, Shridhar I.; Khazi, I. M.","7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-<i>d</i>]pyrimidin-4-amine","Acta Crystallographica Section E","2011","67","7","o1636","o1637","10.1107/S1600536811021155","","","0.71073","MoKα","","0.0709","0.0532","","","0.1309","0.1692","","","","","","0.843","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230618","15.596","0.001","10.188","0.001","6.7649","0.0007","90","","99.947","0.009","90","","1058.73","0.17","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Potassium <i>N</i>-bromo-4-chlorobenzenesulfonamidate monohydrate","","- C6 H6 Br Cl K N O3 S -","- C6 H6 Br Cl K N O3 S -","- C24 H24 Br4 Cl4 K4 N4 O12 S4 -","4","1","DS2118","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>-bromo-4-chlorobenzenesulfonamidate monohydrate","Acta Crystallographica Section E","2011","67","7","m962","","10.1107/S1600536811023610","","","0.71073","MoKα","","0.0613","0.0571","","","0.1539","0.1562","","","","","","1.192","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230619","20.754","0.004","8.2492","0.0016","18.521","0.004","90","","119.528","0.002","90","","2759","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(μ-2-{1-[2-(dimethylamino)ethylimino]ethyl}phenolato)bis[bromidocopper(II)] monohydrate","","- C24 H36 Br2 Cu2 N4 O3 -","- C24 H36 Br2 Cu2 N4 O3 -","- C96 H144 Br8 Cu8 N16 O12 -","4","0.5","EZ2243","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Bis(μ-2-{1-[2-(dimethylamino)ethylimino]ethyl}phenolato)bis[bromidocopper(II)] monohydrate","Acta Crystallographica Section E","2011","67","7","m931","","10.1107/S1600536811022045","","","0.71073","MoKα","","0.0308","0.0247","","","0.058","0.0604","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230620","10.6","0.02","12.58","0.02","13.23","0.02","90","","109.02","0.017","90","","1668","5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-allyl-2-methoxyphenyl 2-acetoxybenzoate","4-Allyl-2-methoxyphenyl 2-acetoxybenzoate","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","EZ2244","Liu, Xi-Wang; Li, Jian-Yong; Yang, Ya-Jun; Zhang, Ji-Yu","4-Allyl-2-methoxyphenyl 2-acetoxybenzoate","Acta Crystallographica Section E","2011","67","7","o1621","","10.1107/S1600536811021416","","","0.71073","MoKα","","0.1078","0.0505","","","0.1131","0.1424","","","","","","1.01","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2230621","4.8504","0.001","15.847","0.003","12.0159","0.0019","90","","104.25","0.008","90","","895.2","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl 4,4'-(ethane-1,2-diyldioxy)dibenzoate","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","0.5","EZ2245","Ma, Zhen; Yang, Huang","Diethyl 4,4'-(ethane-1,2-diyldioxy)dibenzoate","Acta Crystallographica Section E","2011","67","7","o1623","","10.1107/S1600536811021258","","","0.71073","MoKα","","0.0448","0.0385","","","0.1142","0.13","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230622","8.237","0.003","16.868","0.006","11.267","0.004","90","","100.851","0.006","90","","1537.5","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-<i>p</i>-Tolyl-1,2,3,3a-tetrahydrobenzo[<i>e</i>]pyrrolo[2,1- <i>b</i>][1,3]oxazepin-10(5<i>H</i>)-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","EZ2247","Jin, Yun-Zhou; Liu, Cai-E; Zhang, Rong-Hua; Fu, Da-Xu; Lv, Yao-Kang","5-<i>p</i>-Tolyl-1,2,3,3a-tetrahydrobenzo[<i>e</i>]pyrrolo[2,1-<i>b</i>][1,3]oxazepin-10(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1593","","10.1107/S1600536811020964","","","0.71073","MoKα","","0.0805","0.0533","","","0.1546","0.1876","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230623","10.0973","0.0002","17.4145","0.0004","7.0564","0.0001","90","","90","","90","","1240.79","0.04","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","5-Aminopentan-1-ol","5-Aminopentan-1-ol","","- C5 H13 N O -","- C5 H13 N O -","- C40 H104 N8 O8 -","8","1","EZ2250","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","5-Aminopentan-1-ol","Acta Crystallographica Section E","2011","67","7","o1841","","10.1107/S1600536811024731","","","0.71073","MoKα","","0.0339","0.0317","","","0.0856","0.0885","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230624","8.4548","0.001","13.9166","0.0013","20.831","0.002","90","","90","","90","","2451","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(2-Bromobenzyl)-1-methyl-1<i>H</i>-imidazol-3-ium bromide","","- C11 H12 Br2 N2 -","- C11 H12 Br2 N2 -","- C88 H96 Br16 N16 -","8","1","FF2011","Dong, Jian-Yu; You, Tian-Pa","3-(2-Bromobenzyl)-1-methyl-1<i>H</i>-imidazol-3-ium bromide","Acta Crystallographica Section E","2011","67","7","o1568","","10.1107/S1600536811019842","","","0.71073","MoKα","","0.1001","0.0641","","","0.1195","0.1304","","","","","","1.187","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230625","9.0247","0.0003","11.7748","0.0004","17.8585","0.0006","90","","90","","90","","1897.72","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-{(1<i>S</i>*,2<i>S</i>*)-2-[(<i>E</i>)-(2,4- Dihydroxybenzylidene)amino]cyclohexyl}isoindoline-1,3-dione","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","FF2012","Liu, Zhi-Jian; Fu, Xiang-Kai; Hu, Zhong-Kai; Wu, Xiao-Ju; Wu, Liu","2-{(1<i>S</i>*,2<i>S</i>*)-2-[(<i>E</i>)-(2,4-Dihydroxybenzylidene)amino]cyclohexyl}isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","7","o1562","","10.1107/S1600536811019787","","","0.71073","MoKα","","0.0449","0.0409","","","0.1269","0.1318","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230626","6.5972","0.0014","12.572","0.003","12.731","0.003","101.256","0.003","101.61","0.003","96.454","0.003","1001.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","[3,3'-Dihydroxy-3,3'-bis(pyridin-3-yl-κ<i>N</i>)-1,1'-(pyridine-2,6- diyl)dipropan-1-one](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C21 H15 Ag N4 O7 -","- C21 H15 Ag N4 O7 -","- C42 H30 Ag2 N8 O14 -","2","1","FF2013","Dong, Jian-Yu; You, Tian-Pa","[3,3'-Dihydroxy-3,3'-bis(pyridin-3-yl-κ<i>N</i>)-1,1'-(pyridine-2,6-diyl)dipropan-1-one](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","Acta Crystallographica Section E","2011","67","7","m905","","10.1107/S1600536811020472","","","0.71073","MoKα","","0.0669","0.0413","","","0.0902","0.1034","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230627","8.1764","0.0006","16.903","0.0011","11.1564","0.0008","90","","98.224","0.006","90","","1526.02","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>*,5<i>R</i>*)-5-(4-Chlorophenyl)-1,2,3,3a- tetrahydrobenzo[<i>e</i>]pyrrolo[2,1-<i>b</i>][1,3]oxazepin-10(5<i>H</i>)-one","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C72 H64 Cl4 N4 O8 -","4","1","FF2014","Jin, Yun-Zhou; Zhang, Rong-Hua; Fu, Da-Xu; Lv, Yao-Kang","(3a<i>R</i>*,5<i>R</i>*)-5-(4-Chlorophenyl)-1,2,3,3a-tetrahydrobenzo[<i>e</i>]pyrrolo[2,1-<i>b</i>][1,3]oxazepin-10(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1594","","10.1107/S1600536811020265","","","0.71073","MoKα","","0.0833","0.0473","","","0.1217","0.1809","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230628","19.26","0.004","12.161","0.002","6.5493","0.0013","90","","90","","90","","1534","0.5","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N'</i>)manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O'</i>] monohydrate]","","- C14 H14 Mn N2 O6 -","- C14 H14 Mn N2 O6 -","- C56 H56 Mn4 N8 O24 -","4","1","FJ2422","Xu, Wei","<i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2011","67","7","m893","","10.1107/S1600536811020575","","","0.71073","MoKα","","0.0741","0.037","","","0.0676","0.1107","","","","","","1.195","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230629","13.4058","0.0006","13.8797","0.0006","16.8157","0.0008","90","","100.562","0.001","90","","3075.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloridobis{<i>N</i>,<i>N</i>-diethyl-4-[(pyridin-2- yl-κ<i>N</i>)diazenyl]aniline}zinc","","- C30 H36 Cl2 N8 Zn -","- C30 H36 Cl2 N8 Zn -","- C120 H144 Cl8 N32 Zn4 -","4","1","FJ2423","Leesakul, Nararak; Pakawatchai, Chaveng; Saithong, Saowanit; Tantirungrotechai, Yuthana; Kwanplod, Kwanchanok","Dichloridobis{<i>N</i>,<i>N</i>-diethyl-4-[(pyridin-2-yl-κ<i>N</i>)diazenyl]aniline}zinc","Acta Crystallographica Section E","2011","67","7","m955","m956","10.1107/S1600536811022884","","","0.71073","MoKα","","0.0451","0.035","","","0.0808","0.0855","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230630","25.946","0.006","6.1573","0.0014","26.602","0.006","90","","102.236","0.007","90","","4153.3","1.6","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","phenyl(2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methanone","","- C30 H22 O -","- C30 H22 O -","- C240 H176 O8 -","8","1","FJ2426","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","Phenyl(2,4,5-triphenylcyclopenta-1,4-dien-1-yl)methanone","Acta Crystallographica Section E","2011","67","7","o1718","","10.1107/S1600536811022902","","","0.71073","MoKα","","0.1364","0.0807","","","0.1878","0.2249","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230631","9.455","0.0019","10.174","0.002","15.153","0.003","93.03","0.03","99.94","0.03","94.72","0.03","1427.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua(di-2-pyridylamine- κ^2^<i>N</i>^2^,<i>N</i>^2'^)manganese(II)]-μ- 5-ferrocenylbenzene-1,3-dicarboxylato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] methanol monosolvate monohydrate]","","- C29 H29 Fe Mn N3 O7 -","- C29 H29 Fe Mn N3 O7 -","- C58 H58 Fe2 Mn2 N6 O14 -","2","1","FJ2428","Liu, Wei; Zhang, Gang","<i>catena</i>-Poly[[[aqua(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)manganese(II)]-μ-5-ferrocenylbenzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] methanol monosolvate monohydrate]","Acta Crystallographica Section E","2011","67","7","m989","m990","10.1107/S1600536811022781","","","0.71073","MoKα","","0.0531","0.038","","","0.0879","0.0962","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230632","16.744","0.012","6.098","0.004","17.3","0.013","90","","111.81","0.015","90","","1640","2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,5-Triphenyl-1,3,2-dioxaphospholan-2-one","","- C20 H17 O3 P -","- C20 H17 O3 P -","- C80 H68 O12 P4 -","4","1","FJ2429","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4,5-Triphenyl-1,3,2-dioxaphospholan-2-one","Acta Crystallographica Section E","2011","67","7","o1790","","10.1107/S1600536811024202","","","0.71073","MoKα","","0.1351","0.0895","","","0.2166","0.256","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230633","11.7997","0.0008","8.902","0.0006","13.9912","0.0009","90","","94.214","0.004","90","","1465.68","0.17","296","2","296","2","101","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-2-Benzylidene-4-ethyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","FJ2430","Akhazzane, Mohamed; Zouihri, Hafid; Bennani, A. Kella; Kerbal, Abdelali; Al Houari, Ghali","(2<i>E</i>)-2-Benzylidene-4-ethyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1700","","10.1107/S1600536811022793","","","0.71073","MoKα","","0.0909","0.0467","","","0.1049","0.1388","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230634","10.3679","0.0001","14.9648","0.0002","16.1851","0.0002","90","","93.128","0.001","90","","2507.43","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium 4-hydroxybenzoate dihydrate","","- C23 H45 N O5 -","- C23 H45 N O5 -","- C92 H180 N4 O20 -","4","1","FJ2432","Yang, Yuan; Yang, Yunxia","Tetrabutylammonium 4-hydroxybenzoate dihydrate","Acta Crystallographica Section E","2011","67","7","o1703","","10.1107/S1600536811022823","","","0.71073","MoKα","","0.0666","0.0517","","","0.1321","0.1429","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230635","9.6082","0.001","16.261","0.0016","10.4478","0.001","90","","96.378","0.001","90","","1622.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium 4-hydroxybenzoate monohydrate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","FJ2433","Li, Heping; Liu, Pei; Yang, Yunxia","Tetraethylammonium 4-hydroxybenzoate monohydrate","Acta Crystallographica Section E","2011","67","7","o1788","","10.1107/S1600536811024044","","","0.71073","MoKα","","0.0747","0.0553","","","0.1634","0.1811","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230636","6.9158","0.0002","25.0737","0.0005","13.8747","0.0003","90","","94.359","0.001","90","","2398.98","0.1","296","2","296","2","101","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-<i>tert</i>-Butyl-3',4'-bis(4-methylphenyl)-3,4-dihydro- 1<i>H</i>,4'<i>H</i>-spiro[naphthalene-2,5'-[1,2]oxazol]-1-one","","- C30 H31 N O2 -","- C30 H31 N O2 -","- C120 H124 N4 O8 -","4","1","FJ2437","Akhazzane, Mohamed; Zouihri, Hafid; Bennani, A.Kella; Kerbal, Abdelali; Al Houari, Ghali","4-<i>tert</i>-Butyl-3',4'-bis(4-methylphenyl)-3,4-dihydro-1<i>H</i>,4'<i>H</i>-spiro[naphthalene-2,5'-[1,2]oxazol]-1-one","Acta Crystallographica Section E","2011","67","7","o1862","","10.1107/S1600536811025086","","","0.71073","MoKα","","0.0515","0.0395","","","0.1051","0.1111","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230637","9.896","0.002","11.038","0.003","14.136","0.004","90","","102.701","0.013","90","","1506.3","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-(naphthalen-1-yl)-1<i>H</i>-1,2,3-triazole","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","FL2334","Sarmiento-Sánchez, Juan I.; Aguirre, Gerardo; Rivero, Ignacio A.","1-Benzyl-4-(naphthalen-1-yl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2011","67","7","o1856","","10.1107/S1600536811019994","","","0.71073","MoKα","","0.1465","0.0693","","","0.1645","0.2017","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230638","13.838","0.01","7.791","0.005","5.543","0.004","90","","97.26","0.03","90","","592.8","0.7","273.1","","273.1","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,1'-(Piperazine-1,4-diyl)dipropan-2-ol","","- C10 H22 N2 O2 -","- C10 H22 N2 O2 -","- C20 H44 N4 O4 -","2","0.25","FY2011","Türkyılmaz, Murat; Baran, Yakup; Özdemir, Namık","1,1'-(Piperazine-1,4-diyl)dipropan-2-ol","Acta Crystallographica Section E","2011","67","7","o1758","","10.1107/S1600536811023397","","","0.71073","MoKα","","0.091","0.0519","","","0.1088","0.1186","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230639","9.297","0.004","11.869","0.005","13.661","0.006","68.956","0.004","77.398","0.004","84.805","0.004","1372.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[2,2-Bis(1,3-benzimidazol-1-ylmethyl)-3-bromopropyl]-1,3-benzimidazole","","- C26 H23 Br N6 -","- C26 H23 Br N6 -","- C52 H46 Br2 N12 -","2","1","FY2012","Wei, Tai-Bao; Lu, Yan-Yun; Cao, Cheng; Yao, Hong; Zhang, You-Ming","1-[2,2-Bis(1,3-benzimidazol-1-ylmethyl)-3-bromopropyl]-1,3-benzimidazole","Acta Crystallographica Section E","2011","67","7","o1833","","10.1107/S1600536811023464","","","0.71073","MoKα","","0.0588","0.0366","","","0.0812","0.0855","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230640","8.1167","0.0007","10.6662","0.0012","12.7127","0.0011","90","","90","","90","","1100.59","0.18","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,5',6,6'-Tetramethyl-3,3'-bi-1,2,4-triazine","3-(5,6-dimethyl-1,2,4-triazin-3-yl)-5,6-dimethyl-1,2,4-triazine","","- C10 H12 N6 -","- C10 H12 N6 -","- C40 H48 N24 -","4","0.5","FY2014","Wolińska, Ewa; Karczmarzyk, Zbigniew; Rykowski, Andrzej; Wysocki, Waldemar","5,5',6,6'-Tetramethyl-3,3'-bi-1,2,4-triazine","Acta Crystallographica Section E","2011","67","7","o1613","","10.1107/S1600536811020691","","","1.54178","CuKα","","0.0858","0.0641","","","0.2354","0.272","","","","","","1.161","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230641","8.094","0.0006","11.3611","0.0007","13.7625","0.001","79.944","0.006","82.915","0.006","71.745","0.006","1180.2","0.15","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","2-{[{2-Hydroxy-3-[2-methyl-5-(propan-2-yl)phenoxy]propyl}(pyridin-2- ylmethyl)amino]methyl}phenol","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C52 H64 N4 O6 -","2","1","GK2373","Sancheti, Rakesh S.; Dikundwar, Amol G.; Bendre, Ratnamala S.","2-{[{2-Hydroxy-3-[2-methyl-5-(propan-2-yl)phenoxy]propyl}(pyridin-2-ylmethyl)amino]methyl}phenol","Acta Crystallographica Section E","2011","67","7","o1605","","10.1107/S1600536811020952","","","0.71073","MoKα","","0.0707","0.0561","","","0.1517","0.1628","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230642","7.3246","0.0002","9.007","0.0002","12.0541","0.0003","68.841","0.001","77.78","0.001","70.132","0.001","693.89","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C20 H32 Mn N6 O12 -","- C20 H32 Mn N6 O12 -","- C20 H32 Mn N6 O12 -","1","0.5","GK2378","Zhang, Gang; Wang, Yong","Diaquabis(4-carboxy-2-ethyl-1<i>H</i>-imidazole-5-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","7","m828","","10.1107/S1600536811020071","","","0.71073","MoKα","","0.0382","0.0342","","","0.0933","0.0963","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230643","7.6518","0.0007","7.2469","0.0006","15.5197","0.0013","90","","99.947","0.001","90","","847.66","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Imidazo[1,2-<i>b</i>]isoquinoline-5,10-dione","","- C11 H6 N2 O2 -","- C11 H6 N2 O2 -","- C44 H24 N8 O8 -","4","1","GK2380","N. Al-Mohammed, Nassir; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","Imidazo[1,2-<i>b</i>]isoquinoline-5,10-dione","Acta Crystallographica Section E","2011","67","7","o1666","","10.1107/S1600536811022082","","","0.71073","MoKα","","0.0512","0.04","","","0.0996","0.1069","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230644","7.0759","0.0003","18.0705","0.0009","6.6606","0.0003","90","","101.349","0.003","90","","835.01","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-methyl-1<i>H</i>-pyrrole-2-carboxylate","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","GK2381","Zhang, Zhao-Po; Wang, Yuan; Li, Xiao-Xia","Ethyl 5-methyl-1<i>H</i>-pyrrole-2-carboxylate","Acta Crystallographica Section E","2011","67","7","o1585","","10.1107/S1600536811021180","","","0.71073","MoKα","","0.0863","0.0452","","","0.1221","0.1434","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230645","6.5722","0.0003","8.4802","0.0004","10.8022","0.0005","90","","104.435","0.004","90","","583.04","0.05","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5<i>R</i>)-5-[(1<i>R</i>)-2,2-Dichloro-1-methylcyclopropyl]-2-methylcyclohex- 2-en-1-one","","- C11 H14 Cl2 O -","- C11 H14 Cl2 O -","- C22 H28 Cl4 O2 -","2","1","GK2382","Boualy, Brahim; Harrad, Mohamed Anoir; El Firdoussi, Larbi; Ali, Mustapha Ait; Rizzoli, Corrado","(5<i>R</i>)-5-[(1<i>R</i>)-2,2-Dichloro-1-methylcyclopropyl]-2-methylcyclohex-2-en-1-one","Acta Crystallographica Section E","2011","67","7","o1638","","10.1107/S1600536811021933","","","1.54178","CuKα","","0.0469","0.0463","","","0.1259","0.1264","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230646","9.503","0.004","9.65","0.004","12.487","0.005","72.422","0.008","72.869","0.009","69.463","0.008","999.2","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1,1-Dibenzyl-3-(3-chlorobenzoyl)thiourea","","- C22 H19 Cl N2 O S -","- C22 H19 Cl N2 O S -","- C44 H38 Cl2 N4 O2 S2 -","2","1","GK2383","Md Nasir, Mohd Faizal; Hassan, Ibrahim N.; Yamin, Bohari; Daud, W. R. W; Kassim, Mohammad B.","1,1-Dibenzyl-3-(3-chlorobenzoyl)thiourea","Acta Crystallographica Section E","2011","67","7","o1742","","10.1107/S1600536811023191","","","0.71073","MoKα","","0.1023","0.0538","","","0.1276","0.1474","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230647","16.7107","0.0011","15.6406","0.0011","17.1875","0.0012","90","","107.035","0.001","90","","4295.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Trifluorsulfuron-methyl","Methyl 2-({[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2- yl]carbamoyl}sulfamoyl)-3-methylbenzoate","","- C17 H19 F3 N6 O6 S -","- C17 H19 F3 N6 O6 S -","- C136 H152 F24 N48 O48 S8 -","8","1","GK2384","Mereiter, Kurt","The herbicide triflusulfuron-methyl","Acta Crystallographica Section E","2011","67","7","o1778","o1779","10.1107/S1600536811023166","","","0.71073","MoKα","","0.0383","0.0353","","","0.0985","0.1016","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230648","10.7814","0.0009","32.779","0.003","9.8907","0.0008","90","","98.392","0.001","90","","3458","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Benzylidene-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C176 H128 N16 O8 S8 -","8","2","GK2385","Zeller, Matthias; Satam, Vijay; Bandi, Ravi Kumar; Behera, Ajaya Kumar; Mishra, Bijay Kumar; Pati, Hari; Lee, Moses","5-Benzylidene-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","7","o1781","o1782","10.1107/S1600536811023658","","","0.71073","MoKα","","0.0612","0.0445","","","0.1147","0.1254","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230649","7.2789","0.0015","18.072","0.004","7.3652","0.0014","90","","91.7","0.03","90","","968.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Poly[(μ~5~-3,5-dinitrobenzoato)rubidium]","","- C7 H3 N2 O6 Rb -","- C7 H3 N2 O6 Rb -","- C28 H12 N8 O24 Rb4 -","4","0.5","GO2012","Miao, Yanqing; Zhang, Xiaoqing; Liu, Chunye","Poly[(μ~5~-3,5-dinitrobenzoato)rubidium]","Acta Crystallographica Section E","2011","67","7","m1002","","10.1107/S1600536811023026","","","0.71073","MoKα","","0.0404","0.0325","","","0.0745","0.0777","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230650","7.7297","0.0005","11.5196","0.0002","12.0326","0.0003","118.484","0.001","99.841","0.001","90.968","0.001","921.86","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","8-Chloro-6-iodo-2-phenylchromeno[4,3-<i>c</i>]pyrazol-4(2<i>H</i>)-one <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H15 Cl I N3 O3 -","- C19 H15 Cl I N3 O3 -","- C38 H30 Cl2 I2 N6 O6 -","2","1","GO2013","Lokhande, Pradeep; Hasanzadeh, Kamal; Khaledi, Hamid; Mohd Ali, Hapipah","8-Chloro-6-iodo-2-phenylchromeno[4,3-<i>c</i>]pyrazol-4(2<i>H</i>)-one <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","7","o1692","","10.1107/S1600536811022070","","","0.71073","MoKα","","0.0275","0.0228","","","0.0511","0.0523","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230651","13.224","0.0008","10.7369","0.0007","21.8863","0.0013","90","","96.099","0.001","90","","3089.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-6-methyl-1,3-benzothiazole-κ<i>N</i>^3^)bis(4-nitrobenzoato- κ<i>O</i>^1^)zinc","","- C30 H24 N6 O8 S2 Zn -","- C30 H24 N6 O8 S2 Zn -","- C120 H96 N24 O32 S8 Zn4 -","4","1","GO2014","Sun, Xue-Tong; Wang, Xiu-Guang; Zhao, Xiao-Jun","Bis(2-amino-6-methyl-1,3-benzothiazole-κ<i>N</i>^3^)bis(4-nitrobenzoato-κ<i>O</i>^1^)zinc","Acta Crystallographica Section E","2011","67","7","m933","","10.1107/S1600536811022331","","","0.71073","MoKα","","0.0423","0.0356","","","0.0952","0.1008","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230652","11.1741","0.0016","5.6788","0.0008","27.308","0.004","90","","95.266","0.002","90","","1725.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Aminophenylsulfanyl)-1,3-diphenylpropan-1-one","","- C21 H19 N O S -","- C21 H19 N O S -","- C84 H76 N4 O4 S4 -","4","1","GO2015","Yaeghoobi, Marzieh; Khaledi, Hamid; Abdullah, Zanariah; Abd.Rahman, Noorsaadah","3-(2-Aminophenylsulfanyl)-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2011","67","7","o1693","","10.1107/S1600536811022112","","","0.71073","MoKα","","0.1233","0.0568","","","0.0844","0.1008","","","","","","0.953","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230653","10.0568","0.0008","10.2697","0.0008","13.2894","0.001","95.033","0.004","109.14","0.004","91.229","0.004","1289.82","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Cyclopentylsulfonyl-5-fluoro-2-methyl-1-benzofuran","","- C14 H15 F O3 S -","- C14 H15 F O3 S -","- C56 H60 F4 O12 S4 -","4","2","GO2016","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-Cyclopentylsulfonyl-5-fluoro-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","7","o1689","","10.1107/S1600536811021222","","","0.71073","MoKα","","0.0692","0.0452","","","0.1064","0.1189","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230654","8.9917","0.0011","13.4769","0.0012","18.576","0.004","90","","90","","90","","2251","0.6","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C96 H136 N8 O24 -","8","2","HB5884","Elkhamlichi, Aouicha; Lachkar, Mohammed; El Bali, Brahim; Dusek, Michal; Fejfarova, Karla","Orthorhombic polymorph of (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol","Acta Crystallographica Section E","2011","67","7","o1734","o1735","10.1107/S1600536811019866","","","0.71069","MoKα","","0.0731","0.0414","","","0.0862","0.091","","","","","","1.15","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230655","9.4895","0.0007","10.2283","0.0007","23.3218","0.0016","85.872","0.004","86.537","0.004","74.425","0.003","2172.9","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-4,5,6,9-tetrahydro- 3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","","- C25 H30 O5 -","- C25 H30 O5 -","- C100 H120 O20 -","4","2","HB5885","Mehdi, Sayed Hasan; Sulaiman, Othman; Ghalib, Raza Murad; Yeap, Chin Sing; Fun, Hoong-Kun","9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-4,5,6,9-tetrahydro-3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","7","o1719","o1720","10.1107/S1600536811023014","","","0.71073","MoKα","","0.0743","0.0535","","","0.1172","0.1273","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230656","9.931","0.0018","16.342","0.003","23.516","0.005","90","","90","","90","","3816.5","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate","","- C22 H21 N3 O3 S -","- C22 H21 N3 O3 S -","- C176 H168 N24 O24 S8 -","8","1","HB5886","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun","4-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2011","67","7","o1721","o1722","10.1107/S160053681102304X","","","0.71073","MoKα","","0.1003","0.0961","","","0.206","0.2077","","","","","","1.281","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230657","21.266","0.0004","8.4296","0.0003","11.1215","0.0009","90","","92.344","0.0017","90","","1992.02","0.18","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-dimethoxy-2,2'-[hexane-1,6-diylbis(nitrilodimethylidyne)]diphenol‒ 6,6'-dimethoxy-2,2'-[hexane-1,6-diylbis(nitriliodimethylidyne)]diphenolate (1/1)","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","HB5887","Tabatabaee, M.; Fotuhiardakani, M. R.; Lough, Alan J.","Redetermination of 6,6'-dimethoxy-2,2'-[hexane-1,6-diylbis(nitrilodimethylidyne)]diphenol","Acta Crystallographica Section E","2011","67","7","o1579","o1580","10.1107/S1600536811020599","","","0.71073","MoKα","","0.1271","0.0747","","","0.1996","0.2467","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230658","8.7249","0.0003","11.0016","0.0005","16.8893","0.0008","79.487","0.006","75.211","0.006","72.201","0.005","1482.8","0.12","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>'',<i>N</i>''- bis(trimethylsilyl)guanidinato-κ^2^<i>N</i>,<i>N</i>'](tetrahydrofuran- κ<i>O</i>)magnesium(II)}","","- C46 H96 Cl2 Mg2 N6 O2 Si4 -","- C46 H96 Cl2 Mg2 N6 O2 Si4 -","- C46 H96 Cl2 Mg2 N6 O2 Si4 -","1","0.5","HB5890","Cheng, Jie","Di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>'',<i>N</i>''-bis(trimethylsilyl)guanidinato-κ^2^<i>N</i>,<i>N</i>'](tetrahydrofuran-κ<i>O</i>)magnesium(II)}","Acta Crystallographica Section E","2011","67","7","m987","","10.1107/S1600536811023865","","","0.71075","MoKα","","0.0659","0.0496","","","0.1334","0.1413","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230659","10.5234","0.0019","12.826","0.002","14.19","0.003","75.97","0.002","86.453","0.002","84.108","0.002","1847","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Pyridinium [2,6-bis(5-phenyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)pyridine- κ<i>N</i>]tetranitrato-κ^6^<i>O</i>,<i>O</i>';κ<i>O</i>-samarium(III) pyridine monosolvate","","- C33 H28 N11 O12 Sm -","- C33 H28 N11 O12 Sm -","- C66 H56 N22 O24 Sm2 -","2","1","HB5891","Hu, Shui; Zhao, Yongfeng; Hu, Huai-Ming; Liu, Li","Pyridinium [2,6-bis(5-phenyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]tetranitrato-κ^6^<i>O</i>,<i>O</i>';κ<i>O</i>-samarium(III) pyridine monosolvate","Acta Crystallographica Section E","2011","67","7","m945","m946","10.1107/S1600536811022653","","","0.71073","MoKα","","0.0437","0.0349","","","0.0802","0.0863","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230660","7.6674","0.0003","14.8062","0.0005","14.3766","0.0006","90","","101.853","0.002","90","","1597.3","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{<i>N</i>-Methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II)","","- C12 H15 N5 S2 Zn -","- C12 H15 N5 S2 Zn -","- C48 H60 N20 S8 Zn4 -","4","1","HB5892","Li, Xian-Wen","{<i>N</i>-Methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2011","67","7","m829","","10.1107/S1600536811019945","","","0.71073","MoKα","","0.0823","0.0402","","","0.0824","0.1049","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230661","6.0655","0.0005","10.3999","0.0009","26.468","0.002","98.947","0.003","90.001","0.004","104.88","0.003","1592.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(4-Methylbenzenesulfonamido)methyl]cyclohexanecarboxylic acid","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","2","HB5893","Ashfaq, Muhammad; Iram, Samina; Akkurt, Mehmet; Khan, Islam Ullah; Mustafa, Ghulam; Sharif, Shahzad","4-[(4-Methylbenzenesulfonamido)methyl]cyclohexanecarboxylic acid","Acta Crystallographica Section E","2011","67","7","o1563","","10.1107/S1600536811020083","","","0.71073","MoKα","","0.1733","0.0764","","","0.1788","0.2266","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230662","3.893","0.002","7.312","0.004","14.137","0.008","90","","93.416","0.013","90","","401.7","0.4","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Hydrazinyl-4-methyl-1,3-benzothiazole","","- C8 H9 N3 S -","- C8 H9 N3 S -","- C16 H18 N6 S2 -","2","1","HB5894","Liu, Xu-Feng; Yu, Xiao-Yong; Jiang, Shao-Liang","2-Hydrazinyl-4-methyl-1,3-benzothiazole","Acta Crystallographica Section E","2011","67","7","o1641","","10.1107/S1600536811020149","","","0.71073","MoKα","","0.0321","0.0281","","","0.0563","0.0568","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230663","6.049","0.004","10.038","0.006","19.645","0.012","90","","90","","90","","1192.8","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-(2,3-Dichlorobenzylidene)amino]phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","HB5895","Sun, Li-Xia; Yu, Yun-Dan; Wei, Guo-Ying","4-[(<i>E</i>)-(2,3-Dichlorobenzylidene)amino]phenol","Acta Crystallographica Section E","2011","67","7","o1564","","10.1107/S1600536811019933","","","0.71073","MoKα","","0.0346","0.0301","","","0.0705","0.0724","","","","","","1.166","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230664","9.4","0.005","12.213","0.007","9.45","0.005","90","","104.666","0.005","90","","1049.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(<i>E</i>)-(4-Fluorobenzylidene)amino]phenol","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","HB5896","Sun, Li-Xia; Yu, Yun-Dan; Wei, Guo-Ying","4-[(<i>E</i>)-(4-Fluorobenzylidene)amino]phenol","Acta Crystallographica Section E","2011","67","7","o1578","","10.1107/S1600536811019921","","","0.71073","MoKα","","0.0548","0.0396","","","0.1","0.1159","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230665","7.47","0.0008","10.8408","0.0012","14.9724","0.0016","76.073","0.002","77.357","0.001","72.574","0.002","1108.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Cyclobenzaprinium salicylate","3-(5<i>H</i>-Dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-ylidene)- <i>N</i>,<i>N</i>-dimethyl-1-propanaminium 2-hydroxybenzoate","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C54 H54 N2 O6 -","2","1","HB5897","Fun, Hoong-Kun; Yeap, Chin Sing; Siddegowda, M. S.; Yathirajan, H. S.; Narayana, B.","Cyclobenzaprinium salicylate","Acta Crystallographica Section E","2011","67","7","o1584","","10.1107/S1600536811020642","","","0.71073","MoKα","","0.0764","0.0476","","","0.1186","0.1339","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230666","5.7073","0.0003","11.9204","0.0006","14.5117","0.0007","90","","90.493","0.002","90","","987.24","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[bis(μ~3~-2-methyl-3,5-dinitrobenzoato)disilver(I)]","","- C8 H5 Ag N2 O6 -","- C8 H5 Ag N2 O6 -","- C32 H20 Ag4 N8 O24 -","4","1","HB5898","Danish, Muhammad; Tahir, M. Nawaz; Ghafoor, Sabiha; Ahmad, Nazir; Nisa, Mehwish","<i>catena</i>-Poly[bis(μ~3~-2-methyl-3,5-dinitrobenzoato)disilver(I)]","Acta Crystallographica Section E","2011","67","7","m938","m939","10.1107/S1600536811022483","","","0.71073","MoKα","","0.0493","0.0314","","","0.0649","0.0712","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230667","9.5057","0.0007","13.7527","0.0011","16.1902","0.0013","90","","101.2","0.001","90","","2076.2","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3- diamine}thiocyanatocopper(II) tetrafluoridoborate","","- C18 H20 B Cu F4 N5 S -","- C18 H20 B Cu F4 N5 S -","- C72 H80 B4 Cu4 F16 N20 S4 -","4","1","HB5899","Liu, Li-Jun","{<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3-diamine}(thiocyanato-κ<i>N</i>)copper(II) tetrafluoridoborate","Acta Crystallographica Section E","2011","67","7","m876","m877","10.1107/S1600536811021040","","","0.71073","MoKα","","0.0706","0.0388","","","0.094","0.1073","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230668","8.2508","0.0017","8.9511","0.0018","13.158","0.003","92.391","0.002","94.847","0.002","96.422","0.002","960.9","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","{<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3- diamine}bromidocopper(II) tetrafluoridoborate","","- C17 H20 B Br Cu F4 N4 -","- C17 H20 B Br Cu F4 N4 -","- C34 H40 B2 Br2 Cu2 F8 N8 -","2","1","HB5900","Liu, Li-Jun","{<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3-diamine}bromidocopper(II) tetrafluoridoborate","Acta Crystallographica Section E","2011","67","7","m878","","10.1107/S1600536811022513","","","0.71073","MoKα","","0.0602","0.0377","","","0.079","0.0865","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230669","7.463","0.006","14.579","0.006","12.718","0.012","90","","106.37","0.08","90","","1327.7","1.8","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyldichlorido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)ruthenium(II)","","- C8 H16 Cl2 N2 O2 Ru -","- C8 H16 Cl2 N2 O2 Ru -","- C32 H64 Cl8 N8 O8 Ru4 -","4","1","HB5901","Baghlaf, Ahmad O.; Ishaq, Muhammad; Al-Juaid, Salih S.; Asiri, Abdullah M.; Arshad, Muhammad Nadeem","Dicarbonyldichlorido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)ruthenium(II)","Acta Crystallographica Section E","2011","67","7","m925","","10.1107/S1600536811022227","","","0.71073","MoKα","","0.0268","0.0229","","","0.059","0.0611","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230670","13.286","0.003","9.1468","0.0018","10.957","0.002","90","","95.36","0.03","90","","1325.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)-4-methylpiperidine-1-carboxamide","","- C13 H17 Cl N2 O -","- C13 H17 Cl N2 O -","- C52 H68 Cl4 N8 O4 -","4","1","HB5902","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)-4-methylpiperidine-1-carboxamide","Acta Crystallographica Section E","2011","67","7","o1796","","10.1107/S1600536811024123","","","0.71073","MoKα","","0.0713","0.045","","","0.1219","0.1544","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230671","6.7514","0.0002","23.7537","0.0008","8.073","0.0003","90","","90","0.001","90","","1294.67","0.08","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Micromelin","7-Methoxy-6-[(1<i>R</i>,2<i>R</i>,5<i>R</i>)-5-methyl-4-oxo-3,6- dioxabicyclo[3.1.0]hexan-2-yl]-2<i>H</i>-chromen-2-one","","- C15 H12 O6 -","- C15 H12 O6 -","- C60 H48 O24 -","4","2","HB5904","Fun, Hoong-Kun; Siridechakorn, Ittipon; Laphookhieo, Surat; Chantrapromma, Suchada","Absolute configuration of micromelin","Acta Crystallographica Section E","2011","67","7","o1706","o1707","10.1107/S1600536811022720","","","1.54178","CuKα","","0.022","0.022","","","0.0591","0.0591","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230672","27.2766","0.0011","34.1005","0.0009","9.4431","0.0002","90","","90","","90","","8783.5","0.5","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro- 1<i>H</i>-1,3-oxazolo[3,4-<i>a</i>]pyridin-3-yl}phenol","","- C24 H20 F6 N2 O2 -","- C24 H20 F6 N2 O2 -","- C384 H320 F96 N32 O32 -","16","1","HB5905","Gonçalves, Raoni S. B.; Kaiser, Carlos R.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1<i>H</i>-1,3-oxazolo[3,4-<i>a</i>]pyridin-3-yl}phenol","Acta Crystallographica Section E","2011","67","7","o1656","o1657","10.1107/S1600536811022379","","","0.71073","MoKα","","0.038","0.035","","","0.079","0.082","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230673","5.4641","0.0007","6.6596","0.0008","13.1898","0.0016","88.828","0.002","83.577","0.002","75.828","0.002","462.42","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Hydroxymethyl-1<i>H</i>-1,2,3-triazol-1-yl)benzoic acid","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C20 H18 N6 O6 -","2","1","HB5906","Ishak, Dayang Hazwani Abang; Tajuddin, Hairul Anuar; Abdullah, Zanariah; Abd Halim, Siti Nadiah; Tiekink, Edward R. T.","4-(4-Hydroxymethyl-1<i>H</i>-1,2,3-triazol-1-yl)benzoic acid","Acta Crystallographica Section E","2011","67","7","o1658","","10.1107/S1600536811022409","","","0.71073","MoKα","","0.0451","0.0401","","","0.1226","0.1296","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230674","4.484","0.0003","14.4636","0.0008","14.3939","0.0009","90","","91.674","0.004","90","","933.11","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>,<i>E</i>)-1,2-Bis[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]hydrazine","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C44 H40 N4 O8 -","2","0.5","HB5907","Al-Mehana, Wisam Naji Atiyah; Shakir, Raied M.; Yahya, Rosiyah; Abd Halim, Siti Nadiah; Tiekink, Edward R. T.","(<i>E</i>,<i>E</i>)-1,2-Bis[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]hydrazine","Acta Crystallographica Section E","2011","67","7","o1659","","10.1107/S1600536811022410","","","0.71073","MoKα","","0.0641","0.046","","","0.1119","0.1235","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230675","5.571","0.004","9.216","0.005","11.918","0.006","70.262","0.005","80.46","0.001","74.871","0.005","554","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-1<i>H</i>-imidazol-3-ium hydrogen oxalate","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C22 H20 N4 O8 -","2","1","HB5908","Song, Jin-Na","2-Phenyl-1<i>H</i>-imidazol-3-ium hydrogen oxalate","Acta Crystallographica Section E","2011","67","7","o1773","","10.1107/S1600536811023300","","","0.71073","MoKα","","0.0669","0.0435","","","0.0977","0.1041","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230676","7.7615","0.0006","6.4257","0.0004","12.248","0.0009","90","","93.893","0.003","90","","609.44","0.08","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","<i>N</i>'-[(<i>E</i>)-2-Methoxybenzylidene]pyrazine-2-carbohydrazide","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C26 H24 N8 O4 -","2","0.5","HB5910","de Souza, Marcus V. N.; da Lima, Camilo H.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","<i>N</i>'-[(<i>E</i>)-2-Methoxybenzylidene]pyrazine-2-carbohydrazide","Acta Crystallographica Section E","2011","67","7","o1714","o1715","10.1107/S1600536811022938","","","0.71073","MoKα","","0.0823","0.0522","","","0.1272","0.1469","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230677","18.6824","0.0002","28.728","0.0004","10.3369","0.0001","90","","99.856","0.001","90","","5466.02","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{4-Hydroxy-<i>N</i>'-[(2<i>E</i>,3<i>Z</i>)-4-oxido-4-phenylbut-3-en-2- ylidene]benzohydrazidato}diphenyltin(IV) methanol monosolvate","","- C30 H28 N2 O4 Sn -","- C30 H28 N2 O4 Sn -","- C240 H224 N16 O32 Sn8 -","8","2","HB5914","Affan, Md. Abu; Sam, Norrihan B.; Ahmad, Fasihuddin B.; White, Fraser; Tiekink, Edward R. T.","{4-Hydroxy-<i>N</i>'-[(2<i>E</i>,3<i>Z</i>)-4-oxido-4-phenylbut-3-en-2-ylidene]benzohydrazidato}diphenyltin(IV) methanol monosolvate","Acta Crystallographica Section E","2011","67","7","m963","m964","10.1107/S1600536811023415","","","1.5418","CuKα","","0.0377","0.032","","","0.0751","0.0786","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230678","8.0784","0.0002","20.541","0.0005","11.1678","0.0003","90","","93.025","0.002","90","","1850.58","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{4-Hydroxy-<i>N</i>-[(2<i>E</i>,3<i>Z</i>)-4-oxido-4-phenylbut-3-en-2- ylidene]benzohydrazidato}dimethyltin(IV)","","- C19 H20 N2 O3 Sn -","- C19 H20 N2 O3 Sn -","- C76 H80 N8 O12 Sn4 -","4","1","HB5915","Affan, Md. Abu; Sam, Norrihan B.; Ahmad, Fasihuddin B.; White, Fraser; Tiekink, Edward R. T.","{4-Hydroxy-<i>N</i>'-[(2<i>E</i>,3<i>Z</i>)-4-oxido-4-phenylbut-3-en-2-ylidene]benzohydrazidato}dimethyltin(IV)","Acta Crystallographica Section E","2011","67","7","m965","","10.1107/S1600536811023506","","","1.54184","CuKα","","0.0386","0.0316","","","0.0761","0.0813","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230679","8.1955","0.0009","10.8717","0.0012","16.542","0.0015","90","","117.816","0.004","90","","1303.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-2-oxoethyl benzoate","","- C15 H11 Cl O3 -","- C15 H11 Cl O3 -","- C60 H44 Cl4 O12 -","4","1","HB5918","Fun, Hoong-Kun; Shahani, Tara; Garudachari, B.; Isloor, Arun M.; Satyganarayan, M. N.","2-(4-Chlorophenyl)-2-oxoethyl benzoate","Acta Crystallographica Section E","2011","67","7","o1802","","10.1107/S160053681102383X","","","0.71073","MoKα","","0.0708","0.0441","","","0.111","0.1264","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230680","5.3323","0.0004","5.72","0.0004","14.3319","0.001","79.919","0.004","83.686","0.004","76.505","0.004","417.41","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","","<i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)- 4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","","- C16 H23 N3 O5 -","- C16 H23 N3 O5 -","- C16 H23 N3 O5 -","1","1","HB5921","Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","<i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","Acta Crystallographica Section E","2011","67","7","o1805","o1806","10.1107/S1600536811024263","","","0.71073","MoKα","","0.0653","0.051","","","0.1033","0.1133","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230681","7.2802","0.0012","19.551","0.003","14.0638","0.0018","90","","113.352","0.007","90","","1837.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-Bromo-3-{2-[2-(2-methoxybenzylidene)hydrazinyl]- 1,3-thiazol-4-yl}-2<i>H</i>-chromen-2-one","","- C20 H14 Br N3 O3 S -","- C20 H14 Br N3 O3 S -","- C80 H56 Br4 N12 O12 S4 -","4","1","HB5923","Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun","(<i>E</i>)-6-Bromo-3-{2-[2-(2-methoxybenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","7","o1825","","10.1107/S1600536811024536","","","0.71073","MoKα","","0.0748","0.0377","","","0.0767","0.0886","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230682","42.0478","0.001","5.298","0.0001","9.5643","0.0002","90","","92.522","0.002","90","","2128.57","0.08","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","<i>N</i>,<i>N</i>'-[4,4'-Methylenebis(4,1-phenylene)]bis(2,6-difluorobenzamide)","<i>N</i>-{4-[4-(2,6-difluorobenzamido)benzyl]phenyl}-2,6-difluorobenzamide","","- C27 H18 F4 N2 O2 -","- C27 H18 F4 N2 O2 -","- C108 H72 F16 N8 O8 -","4","0.5","HB5924","Al-Dajani, Mohammad T. M.; Talaat, Jamal; Mohamed, Nornisah; Hemamalini, Madhukar; Fun, Hoong-Kun","<i>N</i>,<i>N</i>'-[4,4'-Methylenebis(4,1-phenylene)]bis(2,6-difluorobenzamide)","Acta Crystallographica Section E","2011","67","7","o1832","","10.1107/S1600536811024524","","","0.71073","MoKα","","0.0518","0.0403","","","0.1068","0.1144","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230683","4.6804","0.0004","5.6037","0.0007","16.946","0.002","95.669","0.006","95.886","0.007","94.467","0.006","438.2","0.08","120","2","120","2","","","","","","","","5","P 1","P 1","1","","Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2- chlorobenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate","","- C18 H18 Cl N3 O4 -","- C18 H18 Cl N3 O4 -","- C18 H18 Cl N3 O4 -","1","1","HB5927","de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2-chlorobenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate","Acta Crystallographica Section E","2011","67","7","o1868","o1869","10.1107/S1600536811024895","","","0.71073","MoKα","","0.1126","0.0704","","","0.1632","0.1959","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230684","8.145","0.002","15.801","0.002","17.702","0.003","90","","102.687","0.003","90","","2222.6","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-Acetylphenolato)(2-{1-[2-(morpholin-4- yl)ethylimino]ethyl}phenolato)(thiocyanato-κ<i>N</i>)cobalt(III)","","- C23 H26 Co N3 O4 S -","- C23 H26 Co N3 O4 S -","- C92 H104 Co4 N12 O16 S4 -","4","1","HB5932","Wang, Chen-Yi","(2-Acetylphenolato)(2-{1-[2-(morpholin-4-yl)ethylimino]ethyl}phenolato)(thiocyanato-κ<i>N</i>)cobalt(III)","Acta Crystallographica Section E","2011","67","7","m1008","","10.1107/S1600536811025116","","","0.71073","MoKα","","0.0872","0.0408","","","0.0844","0.1006","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230685","5.0338","0.0005","31.357","0.003","5.5882","0.0006","90","","97.89","0.003","90","","873.72","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl <i>N</i>-(2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-2- hydroxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","","- C18 H19 N3 O5 -","- C18 H19 N3 O5 -","- C36 H38 N6 O10 -","2","1","HB5935","Tiekink, Edward R. T.; de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Wardell, Solange M. S. V.; Wardell, James L.","Benzyl <i>N</i>-(2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-2-hydroxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","Acta Crystallographica Section E","2011","67","7","o1866","o1867","10.1107/S1600536811025128","","","0.71073","MoKα","","0.0857","0.0529","","","0.0863","0.0979","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230686","11.437","0.002","11.713","0.002","13.967","0.003","104.136","0.003","97.697","0.003","107.627","0.003","1684.9","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-oxido-bis[(1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')dimanganese(III,IV)] bis(tetraphenylborate) chloride acetonitrile disolvate","","- C72 H94 B2 Cl Mn2 N10 O2 -","- C72 H94 B2 Cl Mn2 N10 O2 -","- C72 H94 B2 Cl Mn2 N10 O2 -","1","0.5","HG5039","Olmstead, Marilyn M.; Boyce, David W.; Bria, Lauren E.","Di-μ-oxido-bis[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')dimanganese(III,IV)] bis(tetraphenylborate) chloride acetonitrile disolvate","Acta Crystallographica Section E","2011","67","7","m824","m825","10.1107/S1600536811019829","","","0.71073","MoKα","","0.0977","0.0605","","","0.1483","0.1726","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230687","17.6211","0.0017","6.5141","0.0007","14.5794","0.0013","90","","90","","90","","1673.5","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Acetonitriledicarbonyl(η^5^-pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","","- C14 H18 B F4 Fe N O2 -","- C14 H18 B F4 Fe N O2 -","- C56 H72 B4 F16 Fe4 N4 O8 -","4","1","HG5040","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Bala, Muhammad D.","Acetonitriledicarbonyl(η^5^-pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2011","67","7","m924","","10.1107/S1600536811021350","","","0.71073","MoKα","","0.055","0.0441","","","0.112","0.1197","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230688","4.5339","0.0006","16.815","0.002","13.302","0.002","90","","96.495","0.008","90","","1007.6","0.2","89","2","89","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Hydroxy-5,7,8-trimethylchroman-2-one","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","HG5043","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","6-Hydroxy-5,7,8-trimethylchroman-2-one","Acta Crystallographica Section E","2011","67","7","o1566","o1567","10.1107/S1600536811019982","","","0.71073","MoKα","","0.089","0.07","","","0.1887","0.2006","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230689","9.4862","0.0002","9.6237","0.0002","13.2433","0.0003","90","","90","","90","","1209.01","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>R</i>)-3-(2-Chloroacetyl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C48 H52 Cl4 N8 O12 -","4","1","HG5045","Caracelli, Ignez; Coelho, Daniel C. S.; Olivato, Paulo R.; Rodrigues, Alessandro; Tiekink, Edward R. T.","(5<i>R</i>)-3-(2-Chloroacetyl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one","Acta Crystallographica Section E","2011","67","7","o1571","o1572","10.1107/S1600536811020356","","","0.71073","MoKα","","0.0208","0.0204","","","0.0536","0.054","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230690","9.6949","0.0013","10.0054","0.0014","11.9249","0.0017","97.799","0.002","91.533","0.002","113.464","0.002","1047.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(5-butylpyridine-2-carboxylato)zinc monohydrate","","- C20 H28 N2 O6 Zn -","- C20 H28 N2 O6 Zn -","- C40 H56 N4 O12 Zn2 -","2","1","HG5046","Tao, Yi-Wen; Wang, Yun","Aquabis(5-butylpyridine-2-carboxylato)zinc monohydrate","Acta Crystallographica Section E","2011","67","7","m908","","10.1107/S1600536811021623","","","0.71073","MoKα","","0.0332","0.0267","","","0.0688","0.0747","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230691","12.737","0.003","10.351","0.002","12.921","0.003","90","","117.897","0.005","90","","1505.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[aquabis(4,4'-bipyridine-κ<i>N</i>)zinc -μ-L-tyrosinato-κ^3^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^] nitrate dihydrate]","","- C29 H32 N6 O9 Zn -","- C29 H32 N6 O9 Zn -","- C58 H64 N12 O18 Zn2 -","2","1","HG5047","Li, Shu-Qiang; Hu, Ning-Hai","<i>catena</i>-Poly[[[aquabis(4,4'-bipyridine-κ<i>N</i>)zinc]-μ-<small>L</small>-tyrosinato-κ^3^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^] nitrate dihydrate]","Acta Crystallographica Section E","2011","67","7","m884","m885","10.1107/S1600536811021088","","","0.71073","MoKα","","0.0928","0.056","","","0.0775","0.0912","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230692","22.095","0.0004","11.2922","0.0002","9.1101","0.0001","90","","109.613","0.001","90","","2141.11","0.06","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium hemi(terephthalate) dihydrate","","- C16 H36 N2 O8 -","- C16 H36 N2 O8 -","- C64 H144 N8 O32 -","4","0.5","HG5050","Yang, Yunxia; Shi, Laipeng","Tetramethylammonium hemi(terephthalate) dihydrate","Acta Crystallographica Section E","2011","67","7","o1767","","10.1107/S1600536811023312","","","0.71073","MoKα","","0.0584","0.0466","","","0.1292","0.1395","","","","","","1.033","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2230693","9.9672","0.0002","13.3376","0.0002","14.4369","0.0002","90","","90","","90","","1919.22","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(2<i>S</i>,5<i>R</i>)-1-Methyl-5-phenylpyrrolidin-2-yl]diphenylmethanol","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","HG5054","Zukerman-Schpector, Julio; Venturini Moro, Angélica; Lüdtke, Diogo S.; Correia, Carlos Roque D.; Tiekink, Edward R. T.","[(2<i>S</i>,5<i>R</i>)-1-Methyl-5-phenylpyrrolidin-2-yl]diphenylmethanol","Acta Crystallographica Section E","2011","67","7","o1807","o1808","10.1107/S1600536811023403","","","0.71073","MoKα","","0.0466","0.0376","","","0.0862","0.092","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230694","6.311","0.003","10.243","0.006","12.334","0.009","103.34","0.02","91.53","0.02","91.411","0.014","775.1","0.8","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","1-[(<i>Z</i>)-1-Bromo-2-(butyldichloro-λ^4^-tellanyl)ethenyl]cyclohex-1-ene","","- C12 H19 Br Cl2 Te -","- C12 H19 Br Cl2 Te -","- C24 H38 Br2 Cl4 Te2 -","2","1","HG5055","Zukerman-Schpector, Julio; Caracelli, Ignez; Guadagnin, Rafael Carlos; Stefani, Hélio A.; Tiekink, Edward R. T.","1-[(<i>Z</i>)-1-Bromo-2-(butyldichloro-λ^4^-tellanyl)ethenyl]cyclohex-1-ene","Acta Crystallographica Section E","2011","67","7","o1751","o1752","10.1107/S1600536811023142","","","0.71073","MoKα","","0.0336","0.0321","","","0.0839","0.0857","","","","","","1.124","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230695","11.5065","0.0015","9.7666","0.0012","12.3139","0.0016","90","","96.639","0.005","90","","1374.5","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Cyclohexyl-2-(5-fluoro-1<i>H</i>-indol-3-yl)-2-oxoacetamide","","- C16 H17 F N2 O2 -","- C16 H17 F N2 O2 -","- C64 H68 F4 N8 O8 -","4","1","HG5056","Tian, Dan-Li; Luo, Gang; Chen, Hong; Tang, Xiao-Wei; Liu, Yong-Feng","<i>N</i>-Cyclohexyl-2-(5-fluoro-1<i>H</i>-indol-3-yl)-2-oxoacetamide","Acta Crystallographica Section E","2011","67","7","o1851","","10.1107/S1600536811024299","","","0.71073","MoKα","","0.0448","0.0365","","","0.0943","0.0984","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230696","10.2055","0.0003","12.4029","0.0003","12.7993","0.0004","66.868","0.002","78.37","0.002","68.085","0.002","1379.32","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-3-[(4-methylphenyl)sulfonyloxy]-2-{[(4- methylphenyl)sulfonyloxy]methyl}propyl 4-methylbenzenesulfonate","","- C26 H30 O9 S3 -","- C26 H30 O9 S3 -","- C52 H60 O18 S6 -","2","1","HG5057","Al-Mohammed, Nassir N.; Shakir, Raied M.; Alias, Yatimah; Abdullah, Zanariah; Abd Halim, Siti Nadiah; Tiekink, Edward R. T.","2-Methyl-3-[(4-methylphenyl)sulfonyloxy]-2-{[(4-methylphenyl)sulfonyloxy]methyl}propyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","7","o1838","","10.1107/S1600536811024664","","","0.71073","MoKα","","0.045","0.0376","","","0.1086","0.1168","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230697","7.3573","0.0006","10.8987","0.0008","12.7134","0.0009","94.273","0.002","96.993","0.002","93.548","0.002","1006.43","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-5-diisopropylamino-1,2,3,4-tetrazolido- κ^2^<i>N</i>^2^:<i>N</i>^3^)bis[(triisopropylphosphane)copper(I)]","","- C32 H70 Cu2 N10 P2 -","- C32 H70 Cu2 N10 P2 -","- C32 H70 Cu2 N10 P2 -","1","0.5","HP2003","Kobrsi, Issam; Bassioni, Ghada","Bis(μ-5-diisopropylamino-1,2,3,4-tetrazolido-κ^2^<i>N</i>^2^:<i>N</i>^3^)bis[(triisopropylphosphane)copper(I)]","Acta Crystallographica Section E","2011","67","7","m975","m976","10.1107/S1600536811022719","","","0.71073","MoKα","","0.0323","0.0294","","","0.0769","0.0786","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230698","8.4542","0.0008","19.391","0.0018","9.2222","0.0008","90","","102.415","0.01","90","","1476.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(nitrato-κ<i>O</i>)cadmium]","","- C28 H28 Cd N10 O6 -","- C28 H28 Cd N10 O6 -","- C56 H56 Cd2 N20 O12 -","2","0.5","HP2007","Hu, Xi-Ying; Yang, Guang-Rui; Shan, Wen-Wen","Poly[bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(nitrato-κ<i>O</i>)cadmium]","Acta Crystallographica Section E","2011","67","7","m899","","10.1107/S1600536811021027","","","0.71073","MoKα","","0.0505","0.0443","","","0.1184","0.1229","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230699","20.919","0.004","8.2015","0.0016","12.739","0.003","90","","90","","90","","2185.6","0.8","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Propane-1,2-diaminium bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cuprate(II) tetrahydrate","","- C17 H26 Cu N4 O12 -","- C17 H26 Cu N4 O12 -","- C68 H104 Cu4 N16 O48 -","4","1","HY2413","Aghabozorg, Hossein; Agah, Ali Akbar; Notash, Behrouz; Mirzaei, Masoud","Propane-1,2-diaminium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cuprate(II) tetrahydrate","Acta Crystallographica Section E","2011","67","7","m992","m993","10.1107/S1600536811024378","","","0.71073","MoKα","","0.0309","0.0282","","","0.0702","0.0753","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230700","12.2099","0.0008","11.6922","0.0008","23.2513","0.0015","90","","90","","90","","3319.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-pyridine-2,3-dicarboxylato- κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^,<i>O</i>^3^] monohydrate]","","- C19 H13 N3 O5 Zn -","- C19 H13 N3 O5 Zn -","- C152 H104 N24 O40 Zn8 -","8","1","HY2421","Qin, Zhen-Hua; Lou, Shu-Fang; Wang, Na; Wang, Fu-Yu","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-pyridine-2,3-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^,<i>O</i>^3^] monohydrate]","Acta Crystallographica Section E","2011","67","7","m864","","10.1107/S1600536811020344","","","0.71073","MoKα","","0.0637","0.0506","","","0.161","0.1748","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230701","24.412","0.005","11.073","0.002","7.4117","0.0015","90","","91.28","0.03","90","","2003","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)cobalt(II)]-μ~2~- 2,6-bis(pyridin-4-yl)-4,4'-bipyridine-κ^2^<i>N</i>^2^:<i>N</i>^6^]","","- C22 H20 Co N4 O6 -","- C22 H20 Co N4 O6 -","- C88 H80 Co4 N16 O24 -","4","0.5","HY2424","Ma, De-Yun; Sun, De-En; Li, Guo-Qing","<i>catena</i>-Poly[[diaquabis(formato-κ<i>O</i>)cobalt(II)]-μ~2~-2,6-bis(pyridin-4-yl)-4,4'-bipyridine-κ^2^<i>N</i>^2^:<i>N</i>^6^]","Acta Crystallographica Section E","2011","67","7","m913","","10.1107/S1600536811021118","","","0.71073","MoKα","","0.0745","0.0443","","","0.094","0.1122","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230702","6.6123","0.0018","12.267","0.003","7.239","0.002","90","","101.059","0.003","90","","576.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II)","","- C8 H10 N4 Ni O6 -","- C8 H10 N4 Ni O6 -","- C16 H20 N8 Ni2 O12 -","2","0.5","HY2425","Zheng, Shengrun; Cai, Songliang; Fan, Jun; Zhang, Weiguang","<i>trans</i>-Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II)","Acta Crystallographica Section E","2011","67","7","m865","","10.1107/S1600536811018824","","","0.71073","MoKα","","0.0301","0.0268","","","0.068","0.07","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230703","10.1","0.002","12.733","0.003","14.638","0.003","115.45","0.03","98.73","0.03","95.89","0.03","1650.1","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis(8-hydroxy-2-methylquinolinium) bis(pyridine-2,6-dicarboxylato)nickelate(II) methanol monosolvate monohydrate","","- C35 H32 N4 Ni O12 -","- C35 H32 N4 Ni O12 -","- C70 H64 N8 Ni2 O24 -","2","1","HY2430","Aghabozorg, Hossein; Gholizadeh, Ahmad; Mirzaei, Masoud; Notash, Behrouz; Moshki, Niloofar","Bis(8-hydroxy-2-methylquinolinium) bis(pyridine-2,6-dicarboxylato)nickelate(II) methanol monosolvate monohydrate","Acta Crystallographica Section E","2011","67","7","m891","m892","10.1107/S1600536811021015","","","0.71073","MoKα","","0.0591","0.0474","","","0.1332","0.1383","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230704","11.079","0.002","13.714","0.003","6.5961","0.0013","90","","94.13","0.03","90","","999.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tri-μ~2~-aqua-(μ~3~-pyridine-2,4-dicarboxylato- κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^2'^)barium]","","- C7 H9 Ba N O7 -","- C7 H9 Ba N O7 -","- C28 H36 Ba4 N4 O28 -","4","1","HY2431","Pasdar, Hoda; Siabi, Shadi; Notash, Behrouz; Aghabozorg, Hossein; Foroughifar, Naser","Poly[tri-μ~2~-aqua-(μ~3~-pyridine-2,4-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^2'^)barium]","Acta Crystallographica Section E","2011","67","7","m848","","10.1107/S1600536811020204","","","0.71073","MoKα","","0.0251","0.0229","","","0.0559","0.0569","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230705","7.1665","0.0014","20.131","0.004","9.2464","0.0019","90","","103.193","0.002","90","","1298.8","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-Methyl-2,7-dioxo-3,6-dioxa-1(1,1')-ferrocenacycloheptaphane","propane-1,2-diyl ferrocene-1,1'-dicarboxylate","","- C15 H14 Fe O4 -","- C15 H14 Fe O4 -","- C60 H56 Fe4 O16 -","4","1","HY2432","Leng, Xin; Yang, Bingqin; Zhang, Pengfei; Fang, Xianwen","4-Methyl-2,7-dioxo-3,6-dioxa-1(1,1')-ferrocenacycloheptaphane","Acta Crystallographica Section E","2011","67","7","m947","","10.1107/S1600536811019398","","","0.71073","MoKα","","0.0438","0.0358","","","0.081","0.0866","","","","","","0.957","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230706","8.627","0.003","10.253","0.004","13.307","0.005","86.33","0.01","74.08","0.02","65.18","0.01","1025.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Propane-1,2-diaminium bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)mercurate(II) dihydrate","","- C17 H22 Hg N4 O10 -","- C17 H22 Hg N4 O10 -","- C34 H44 Hg2 N8 O20 -","2","1","HY2434","Agah, Ali Akbar; Saadati Moshtaghin, Hamid Reza; Notash, Behrouz; Amiri Rudbari, Hadi; Bruno, Giuseppe","Propane-1,2-diaminium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)mercurate(II) dihydrate","Acta Crystallographica Section E","2011","67","7","m983","","10.1107/S1600536811024366","","","0.71073","MoKα","","0.0177","0.0167","","","0.0408","0.0412","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230707","10.12","0.006","17.575","0.01","8.025","0.004","90","","101.239","0.01","90","","1399.9","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1,1'-dimethyl-4,4'-(ethane-1,2-diyl)dipyridinium [lead(II)-tri-μ-iodido-lead(II)-tri-μ-iodido]]","","- C14 H18 I6 N2 Pb2 -","- C14 H18 I6 N2 Pb2 -","- C28 H36 I12 N4 Pb4 -","2","0.5","HY2435","Xu, Guohai; He, Xiyun","<i>catena</i>-Poly[1,1'-dimethyl-4,4'-(ethane-1,2-diyl)dipyridinium [lead(II)-tri-μ-iodido-lead(II)-tri-μ-iodido]]","Acta Crystallographica Section E","2011","67","7","m847","","10.1107/S160053681102006X","","","0.71073","MoKα","","0.0316","0.022","","","0.0434","0.0463","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230708","21.937","0.0013","7.4569","0.0005","23.2379","0.0014","90","","90","","90","","3801.3","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[bis(2-chlorobenzoato- κ^2^<i>O</i>,<i>O</i>')lead(II)]","","- C38 H24 Cl4 N2 O8 Pb2 -","- C38 H24 Cl4 N2 O8 Pb2 -","- C152 H96 Cl16 N8 O32 Pb8 -","4","0.5","HY2436","Feng, Tian-Jun","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[bis(2-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","Acta Crystallographica Section E","2011","67","7","m935","","10.1107/S1600536811022422","","","0.71073","MoKα","","0.0389","0.0262","","","0.0659","0.0806","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230709","7.1936","0.001","9.5775","0.0011","10.4218","0.0014","112.714","0.009","104.149","0.011","92.68","0.01","634.2","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(2,2'-dimethyl-4,4'-bi-1,3-thiazole- κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido]","","- C8 H8 Br2 Cd N2 S2 -","- C8 H8 Br2 Cd N2 S2 -","- C16 H16 Br4 Cd2 N4 S4 -","2","1","HY2437","Abedi, Anita; Rezaei, Forugh","<i>catena</i>-Poly[[(2,2'-dimethyl-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-bromido]","Acta Crystallographica Section E","2011","67","7","m886","","10.1107/S1600536811020861","","","0.71073","MoKα","","0.101","0.0812","","","0.2145","0.232","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230710","10.9879","0.0003","13.4543","0.0003","18.7518","0.0006","86.25","0.002","74.506","0.003","86.648","0.002","2663.27","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(Naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')[tris(2-pyridylmethyl)amine- κ^4^<i>N</i>]cobalt(III) hexafluoridophosphate hemihydrate","","- C28 H25 Co F6 N4 O2.5 P -","- C28 H25 Co F6 N4 O2.5 P -","- C112 H100 Co4 F24 N16 O10 P4 -","4","2","HY2438","Guo, Yan-Hua; Zhang, Yu-Min; Li, Ai-Hua; Yu, Fan","(Naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')[tris(2-pyridylmethyl)amine-κ^4^<i>N</i>]cobalt(III) hexafluoridophosphate hemihydrate","Acta Crystallographica Section E","2011","67","7","m966","","10.1107/S1600536811023270","","","0.71073","MoKα","","0.0487","0.0355","","","0.0943","0.0978","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2230711","10.2454","0.001","10.5799","0.001","12.658","0.001","68.91","0.008","74.848","0.008","81.834","0.008","1233.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[hexaaquabis(μ~3~-benzene-1,3,5-tricarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')trizinc] hexahydrate]","","- C42 H54 N4 O24 Zn3 -","- C42 H54 N4 O24 Zn3 -","- C42 H54 N4 O24 Zn3 -","1","0.5","HY2439","Shan, Wen-Wen; Xiong, Han-Lin; Mei, Chong-Zhen","Poly[[hexaaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')trizinc] hexahydrate]","Acta Crystallographica Section E","2011","67","7","m921","m922","10.1107/S1600536811022173","","","0.71073","MoKα","","0.062","0.0454","","","0.1153","0.1239","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230712","11.5278","0.0013","16.6616","0.0018","12.2711","0.0013","90","","102.478","0.002","90","","2301.3","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-5-bromonicotinato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'; κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[diaqua(5- bromonicotinato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)] dihydrate","","- C36 H30 Br6 N6 Nd2 O18 -","- C36 H30 Br6 N6 Nd2 O18 -","- C72 H60 Br12 N12 Nd4 O36 -","2","0.5","HY2440","Huang, Jing; Zhang, Jin; Chen, Hong-Ji","Tetrakis(μ-5-bromonicotinato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[diaqua(5-bromonicotinato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)] dihydrate","Acta Crystallographica Section E","2011","67","7","m974","","10.1107/S1600536811023798","","","0.71073","MoKα","","0.0297","0.0221","","","0.0513","0.0537","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230713","9.2832","0.0019","12.744","0.003","13.317","0.003","84.55","0.03","79.56","0.03","75.87","0.03","1500.4","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) bis(perchlorate)","","- C60 H60 Cl2 Mn N12 O8 -","- C60 H60 Cl2 Mn N12 O8 -","- C60 H60 Cl2 Mn N12 O8 -","1","0.5","HY2441","Dong, Gui-Ying; Liu, Tong-Fei; He, Cui-Hong; Deng, Xiao-Chen; Shi, Xiao-Ge","Hexakis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)manganese(II) bis(perchlorate)","Acta Crystallographica Section E","2011","67","7","m960","","10.1107/S1600536811023531","","","0.71073","MoKα","","0.091","0.0622","","","0.16","0.1875","","","","","","0.835","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230714","9.5058","0.0014","10.4647","0.0015","12.1615","0.0017","90","","99.766","0.002","90","","1192.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-[[(nitrato-κ<i>O</i>)silver(I)]-μ-1,10-phenanthroline- 5,6-dione-κ^4^<i>O</i>,<i>O</i>':<i>N</i>,<i>N</i>']","","- C12 H6 Ag N3 O5 -","- C12 H6 Ag N3 O5 -","- C48 H24 Ag4 N12 O20 -","4","1","IM2282","Jing, Xiao; Zhu, Yu-Lan; Ma, Kui-Rong; Cao, Li; Shao, Shuai","<i>catena</i>-[[(nitrato-κ<i>O</i>)silver(I)]-μ-1,10-phenanthroline-5,6-dione-κ^4^<i>O</i>,<i>O</i>':<i>N</i>,<i>N</i>']","Acta Crystallographica Section E","2011","67","7","m957","m958","10.1107/S1600536811020939","","","0.71073","MoKα","","0.0948","0.0524","","","0.111","0.1237","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230715","18.6703","0.0009","14.0598","0.0004","12.0536","0.0007","90","","122.43","0.007","90","","2670.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Dichloridobis(5,5'-dimethyl-2,2'-bipyridine)manganese(II) 2.5-hydrate","","- C24 H29 Cl2 Mn N4 O2.5 -","- C24 H29 Cl2 Mn N4 O2.5 -","- C96 H116 Cl8 Mn4 N16 O10 -","4","0.5","IM2285","Lopes, Lívia Batista; Corrêa, Charlane Cimini; Diniz, Renata","<i>cis</i>-Dichloridobis(5,5'-dimethyl-2,2'-bipyridine)manganese(II) 2.5-hydrate","Acta Crystallographica Section E","2011","67","7","m906","m907","10.1107/S1600536811021805","","","0.71073","MoKα","","0.0588","0.0425","","","0.1417","0.1502","","","1.09","","","1.09","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230716","7.3265","0.0015","8.8808","0.0018","12.107","0.002","87.83","0.03","77.83","0.03","83.44","0.03","764.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diisopropylammonium 4-methoxybenzoate","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C28 H46 N2 O6 -","2","1","IM2287","Wei, Bin","Diisopropylammonium 4-methoxybenzoate","Acta Crystallographica Section E","2011","67","7","o1865","","10.1107/S1600536811023762","","","0.71073","MoKα","","0.1082","0.058","","","0.1399","0.1626","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230717","10.8319","0.0002","11.0623","0.0002","13.212","0.0003","90","","101.114","0.001","90","","1553.45","0.05","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]cobalt(II) bis(tetrafluoridoborate)","","- C24 H20 B2 Co F8 N8 O2 S2 -","- C24 H20 B2 Co F8 N8 O2 S2 -","- C48 H40 B4 Co2 F16 N16 O4 S4 -","2","0.5","IM2290","Bentiss, Fouad; Capet, Frédéric; Lagrenée, Michel; Saadi, Mohamed; El Ammari, Lahcen","<i>trans</i>-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]cobalt(II) bis(tetrafluoridoborate)","Acta Crystallographica Section E","2011","67","7","m834","m835","10.1107/S1600536811020125","","","0.71073","MoKα","","0.0271","0.0252","","","0.0624","0.0642","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230718","8.2994","0.0007","8.625","0.0007","25.018","0.002","90","","90","","90","","1790.8","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[2-(4-Nitrophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","","- C21 H15 N3 O4 -","- C21 H15 N3 O4 -","- C84 H60 N12 O16 -","4","1","IM2291","Bustos, Carlos; Alvarez-Thon, Luis; Barría, Daniela; Garland, Maria Teresa; Sánchez, Christian","2-[2-(4-Nitrophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","Acta Crystallographica Section E","2011","67","7","o1587","","10.1107/S1600536811021143","","","0.71073","MoKα","","0.0394","0.0338","","","0.0807","0.0835","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230719","16.057","0.003","6.3709","0.001","15.63","0.003","90","","95.393","0.004","90","","1591.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[aquabis[μ~2~-2-(pyridin-4-ylsulfanyl)acetato]zinc]","","- C14 H14 N2 O5 S2 Zn -","- C14 H14 N2 O5 S2 Zn -","- C56 H56 N8 O20 S8 Zn4 -","4","0.5","IM2292","Wang, Zhi-Chao; Ding, Bo; Wang, Xiu-Guang; Zhao, Xiao-Jun","Poly[aquabis[μ~2~-2-(pyridin-4-ylsulfanyl)acetato]zinc]","Acta Crystallographica Section E","2011","67","7","m995","","10.1107/S1600536811024512","","","0.71073","MoKα","","0.0301","0.0275","","","0.0695","0.0715","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230720","5.5674","0.0011","5.9023","0.0012","11.385","0.002","82.334","0.01","82.145","0.009","78.148","0.01","360.56","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","(1-ammonio-1-phosphonoethyl)phosphonate","(1-azaniumyl-1-phosphonoethyl)phosphonate","","- C2 H9 N O6 P2 -","- C2 H9 N O6 P2 -","- C4 H18 N2 O12 P4 -","2","1","IM2293","Tsaryk, Natalia V.; Dudko, Anatolij V.; Kozachkova, Alexandra N.; Pekhnyo, Vasily I.","A second triclinic polymorph of (1-ammonio-1-phosphonoethyl)phosphonate","Acta Crystallographica Section E","2011","67","7","o1651","o1652","10.1107/S1600536811022239","","","0.71073","MoKα","","0.1034","0.0492","","","0.0984","0.1218","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230721","7.115","0.003","13.623","0.006","17.186","0.008","90","","101.671","0.005","90","","1631.4","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1-(4-cyanobenzyl)pyrazinium] bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)","","- C32 H20 N10 Ni S4 -","- C32 H20 N10 Ni S4 -","- C64 H40 N20 Ni2 S8 -","2","0.5","IM2295","Zhang, Hui; Pei, Wen-Bo; Yu, Shan-Shan; Ren, Xiao-Ming","Bis[1-(4-cyanobenzyl)pyrazinium] bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)","Acta Crystallographica Section E","2011","67","7","m943","","10.1107/S1600536811022550","","","0.71073","MoKα","","0.0297","0.0258","","","0.0714","0.0739","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230722","5.6088","0.0008","6.8183","0.001","16.526","0.003","90","","97.9","0.015","90","","626","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[(1<i>H</i>-pyrazol-1-yl)methyl]benzene","","- C14 H14 N4 -","- C14 H14 N4 -","- C28 H28 N8 -","2","0.5","IM2296","Dong, Gui-Ying; Liu, Tong-Fei; Jiao, Cui-Huan; Deng, Xiao-Chen; Shi, Xiao-Ge","1,4-Bis[(1<i>H</i>-pyrazol-1-yl)methyl]benzene","Acta Crystallographica Section E","2011","67","7","o1685","","10.1107/S1600536811022537","","","0.71073","MoKα","","0.0819","0.0334","","","0.0594","0.0644","","","","","","0.8","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230723","13.8652","0.0007","5.7975","0.0003","14.9337","0.0007","90","","109.535","0.0012","90","","1131.33","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","IM2298","Ouzidan, Younes; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","1-Benzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1822","","10.1107/S160053681102455X","","","0.71073","MoKα","","0.0633","0.0445","","","0.1141","0.1258","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230724","11.3896","0.0006","9.8421","0.0005","12.768","0.0007","90","","105.782","0.001","90","","1377.31","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2<i>H</i>-1,2-benzothiazine-3-carboxylate","","- C13 H15 N O5 S -","- C13 H15 N O5 S -","- C52 H60 N4 O20 S4 -","4","1","IM2299","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Rafique, H. M.; Holman, K. Travis","Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2<i>H</i>-1,2-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2011","67","7","o1823","o1824","10.1107/S1600536811024573","","","0.71073","MoKα","","0.0394","0.0338","","","0.0888","0.0921","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230725","21.349","0.005","5.6522","0.0012","15.659","0.004","90","","98.999","0.004","90","","1866.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[1,2-bis(pyridin-4-yl)ethene]bis[2-(4- carboxylphenyl)acetato]cobalt(II)","","- C42 H38 Co N4 O10 -","- C42 H38 Co N4 O10 -","- C84 H76 Co2 N8 O20 -","2","0.5","IM2300","Yu, Wei-Hua; Liu, Jian-Lan; Ren, Xiao-Ming","Diaquabis[1,2-bis(pyridin-4-yl)ethene]bis[2-(4-carboxyphenyl)acetato]cobalt(II)","Acta Crystallographica Section E","2011","67","7","m999","","10.1107/S1600536811024755","","","0.71073","MoKα","","0.0813","0.0552","","","0.1009","0.1051","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230726","8.11276","0.0001","11.21021","0.00013","18.4097","0.0002","90","","92.0168","0.0006","90","","1673.25","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2-{[3-(morpholin-4-ium-4-yl)propyl]iminomethyl}phenolate)zinc","","- C14 H20 Cl2 N2 O2 Zn -","- C14 H20 Cl2 N2 O2 Zn -","- C56 H80 Cl8 N8 O8 Zn4 -","4","1","IS2701","Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido(2-{[3-(morpholin-4-ium-4-yl)propyl]iminomethyl}phenolate)zinc","Acta Crystallographica Section E","2011","67","7","m932","","10.1107/S1600536811022021","","","0.71073","MoKα","","0.0219","0.0199","","","0.0497","0.0506","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230727","10.9895","0.0004","11.2172","0.0004","13.7549","0.0005","81.222","0.002","87.121","0.002","79.702","0.002","1648.27","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{<i>N</i>,<i>N</i>-Dimethyl-<i>N'</i>'-[1-(2-pyridyl)ethylidene]ethane- 1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato- κ<i>N</i>)copper(II)","","- C13 H17 Cu N5 S2 -","- C13 H17 Cu N5 S2 -","- C52 H68 Cu4 N20 S8 -","4","2","IS2717","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","{<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2011","67","7","m930","","10.1107/S1600536811022057","","","0.71073","MoKα","","0.0729","0.0447","","","0.1112","0.1275","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230728","10.453","0.002","12.669","0.003","13.056","0.003","87.75","0.003","73.271","0.003","70.565","0.003","1558.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[3,3-dimethyl-2-(2-oxoethylidene)indolinyl- κ^2^<i>N</i>,<i>O</i>]palladium(II)","","- C24 H24 N2 O2 Pd -","- C24 H24 N2 O2 Pd -","- C72 H72 N6 O6 Pd3 -","3","1.5","IS2718","Khaledi, Hamid; Olmstead, Marilyn M.; Mohd Ali, Hapipah","Bis[3,3-dimethyl-2-(2-oxoethylidene)indolinyl-κ^2^<i>N</i>,<i>O</i>]palladium(II)","Acta Crystallographica Section E","2011","67","7","m929","","10.1107/S1600536811022069","","","0.71073","MoKα","","0.0532","0.0371","","","0.0804","0.0946","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230729","7.2587","0.0008","9.8187","0.0008","16.893","0.002","90","","101.325","0.01","90","","1180.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,5-thiadiazole 1,1-dioxide","","- C10 H14 N4 O2 S -","- C10 H14 N4 O2 S -","- C40 H56 N16 O8 S4 -","4","1","IS2719","Arslan, N. Burcu; Ertürk, Aliye Gediz; Kazak, Canan; Bekdemir, Yunus","3-Amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,5-thiadiazole 1,1-dioxide","Acta Crystallographica Section E","2011","67","7","o1736","","10.1107/S1600536811021520","","","0.71073","MoKα","","0.043","0.0377","","","0.1062","0.1093","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230730","14.3036","0.0007","12.1335","0.0006","8.5464","0.0004","90","","101.444","0.001","90","","1453.76","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-2-oxoethyl 3-(trifluoromethyl)benzoate","","- C16 H10 Cl F3 O3 -","- C16 H10 Cl F3 O3 -","- C64 H40 Cl4 F12 O12 -","4","1","IS2720","Fun, Hoong-Kun; Loh, Wan-Sin; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Chlorophenyl)-2-oxoethyl 3-(trifluoromethyl)benzoate","Acta Crystallographica Section E","2011","67","7","o1597","","10.1107/S1600536811020629","","","0.71073","MoKα","","0.0668","0.0483","","","0.108","0.121","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230731","7.6745","0.0002","4.6176","0.0001","41.8663","0.0009","90","","92.167","0.001","90","","1482.59","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Carboxymethyl-3-octylimidazolium bromide","","- C13 H23 Br N2 O2 -","- C13 H23 Br N2 O2 -","- C52 H92 Br4 N8 O8 -","4","1","IS2721","N. Al-Mohammed, Nassir; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","1-Carboxymethyl-3-octylimidazolium bromide","Acta Crystallographica Section E","2011","67","7","o1701","","10.1107/S1600536811022094","","","0.71073","MoKα","","0.0507","0.0488","","","0.0943","0.0948","","","","","","1.43","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230732","16.0179","0.0017","7.9609","0.0008","24.0172","0.0018","90","","115.939","0.005","90","","2754.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-2-oxoethyl 2,4-difluorobenzoate","","- C15 H9 Cl F2 O3 -","- C15 H9 Cl F2 O3 -","- C120 H72 Cl8 F16 O24 -","8","2","IS2722","Fun, Hoong-Kun; Arshad, Suhana; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Chlorophenyl)-2-oxoethyl 2,4-difluorobenzoate","Acta Crystallographica Section E","2011","67","7","o1599","","10.1107/S1600536811020630","","","0.71073","MoKα","","0.1069","0.0542","","","0.1657","0.2061","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230733","8.9927","0.0002","12.1581","0.0003","7.4893","0.0002","90","","113.535","0.001","90","","750.72","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,6-Bis(chloromethyl)pyridine","1,6-Bis(chloromethyl)pyridine","","- C7 H7 Cl2 N -","- C7 H7 Cl2 N -","- C28 H28 Cl8 N4 -","4","1","IS2723","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","1,6-Bis(chloromethyl)pyridine","Acta Crystallographica Section E","2011","67","7","o1577","","10.1107/S1600536811020678","","","0.71073","MoKα","","0.0194","0.0185","","","0.0502","0.051","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230734","14.2402","0.0002","14.2402","0.0002","18.4369","0.0007","90","","90","","90","","3738.7","0.16","122","2","122","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","[1,2-Bis(diisopropylphosphanyl)ethane-\ κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)","","- C14 H32 Cl2 Ni P2 -","- C14 H32 Cl2 Ni P2 -","- C112 H256 Cl16 Ni8 P16 -","8","0.5","IS2724","Castellanos-Blanco, Nahury Y.; García, Juventino J.; Flores-Alamo, Marcos","[1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)","Acta Crystallographica Section E","2011","67","7","m871","","10.1107/S1600536811021209","","","0.71073","MoKα","","0.0389","0.0303","","","0.0682","0.0698","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230735","9.7946","0.0014","8.9011","0.0013","10.405","0.0016","90","","104.334","0.002","90","","878.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-hydroxyethanaminium) naphthalene-1,5-disulfonate","","- C14 H22 N2 O8 S2 -","- C14 H22 N2 O8 S2 -","- C28 H44 N4 O16 S4 -","2","0.5","IS2725","Wang, Cong; Yang, Sheng Li","Bis(2-hydroxyethanaminium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2011","67","7","o1847","","10.1107/S1600536811023269","","","0.71073","MoKα","","0.0304","0.029","","","0.079","0.0801","","","","","","1.044","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230736","12.6215","0.0002","10.5929","0.0002","14.3629","0.0002","90","","90.966","0.001","90","","1920.02","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Opipramol","2-{4-[3-(5<i>H</i>-dibenz[<i>b</i>,<i>f</i>]azepin-5- yl)propyl]piperazin-1-yl}ethanol","","- C23 H29 N3 O -","- C23 H29 N3 O -","- C92 H116 N12 O4 -","4","1","IS2726","Fun, Hoong-Kun; Loh, Wan-Sin; Siddegowda, M. S.; Yathirajan, H. S.; Narayana, B.","Opipramol","Acta Crystallographica Section E","2011","67","7","o1598","","10.1107/S1600536811021131","","","0.71073","MoKα","","0.0516","0.0422","","","0.1093","0.1168","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230737","7.7207","0.0006","14.4411","0.0012","26.064","0.002","90","","90","","90","","2906","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-2-oxoethyl 2-methoxybenzoate","","- C16 H13 Cl O4 -","- C16 H13 Cl O4 -","- C128 H104 Cl8 O32 -","8","1","IS2727","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Chlorophenyl)-2-oxoethyl 2-methoxybenzoate","Acta Crystallographica Section E","2011","67","7","o1687","","10.1107/S1600536811021246","","","0.71073","MoKα","","0.0659","0.041","","","0.101","0.116","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230738","10.3595","0.0003","20.687","0.0006","23.7904","0.0007","90","","112.839","0.002","90","","4698.7","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(morpholin-4-yl)phenyl]-1<i>H</i>-1,3-benzimidazole-5-carboxylate","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C208 H256 N32 O32 -","8","2","IS2728","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Ismail, Rusli; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(morpholin-4-yl)phenyl]-1<i>H</i>-1,3-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2011","67","7","o1772","","10.1107/S1600536811023294","","","0.71073","MoKα","","0.094","0.0544","","","0.1317","0.1537","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230739","25.8566","0.0006","10.0475","0.0002","16.8822","0.0004","90","","92.525","0.001","90","","4381.64","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-{[5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1<i>H</i>-pyrazol-3-yl]carbonyl}- <i>N</i>-ethylpiperazine-1-carboxamide","","- C23 H23 Cl F N5 O2 -","- C23 H23 Cl F N5 O2 -","- C184 H184 Cl8 F8 N40 O16 -","8","2","IS2729","Shahani, Tara; Fun, Hoong-Kun; Vijayakumar, V.; Ragavan, R. Venkat; Sarveswari, S.","4-{[5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1<i>H</i>-pyrazol-3-yl]carbonyl}-<i>N</i>-ethylpiperazine-1-carboxamide","Acta Crystallographica Section E","2011","67","7","o1747","o1748","10.1107/S1600536811023178","","","0.71073","MoKα","","0.0893","0.0513","","","0.117","0.1355","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230740","8.269","0.003","11.523","0.002","19.853","0.006","87.44","0.02","80.67","0.03","76.8","0.02","1817.3","0.9","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)-2-[2-(4- nitrophenyl)hydrazinylidene]ethanoate","","- C18 H17 N5 O4 -","- C18 H17 N5 O4 -","- C72 H68 N20 O16 -","4","2","IS2730","Boudina, Aicha; Baouid, Abdesselam; Driss, Mohamed; Soumhi, El Hassane","<i>N</i>-Paranitrophénylhydrazono-α-(2-méthylbenzimidazol-1-yl)glyoxylate d'éthyle","Acta Crystallographica Section E","2011","67","7","o1569","","10.1107/S1600536811022148","","","0.71073","MoKα","","0.1016","0.0428","","","0.1076","0.1307","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230741","12.0046","0.0012","7.9329","0.0009","22.925","0.003","90","","90","","90","","2183.2","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one","(<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","IS2731","Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Chanawanno, Kullapa; Wisitsak, Pitikan; Fun, Hoong-Kun","(<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","7","o1770","o1771","10.1107/S1600536811023634","","","0.71073","MoKα","","0.065","0.0476","","","0.1184","0.1321","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230742","8.8494","0.0001","14.717","0.0003","16.0838","0.0002","115.705","0.001","105.38","0.001","91.946","0.001","1792.85","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-heptylbenzimidazolium) dibromide monohydrate","","- C36 H50 Br2 N4 O -","- C36 H50 Br2 N4 O -","- C72 H100 Br4 N8 O2 -","2","1","IS2732","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Hemamalini, Madhukar; Fun, Hoong-Kun","3,3'-[1,2-Phenylenebis(methylene)]bis(1-heptylbenzimidazolium) dibromide monohydrate","Acta Crystallographica Section E","2011","67","7","o1814","o1815","10.1107/S1600536811023476","","","0.71073","MoKα","","0.0491","0.0315","","","0.07","0.077","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230743","34.884","0.002","10.2322","0.0007","7.8449","0.0006","90","","90","","90","","2800.2","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Diethyl 4-[5-(biphenyl-4-yl)-1<i>H</i>-pyrazol-4-yl]-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate ethanol monosolvate","","- C30 H35 N3 O5 -","- C30 H35 N3 O5 -","- C120 H140 N12 O20 -","4","1","IS2733","Fun, Hoong-Kun; Hemamalini, Madhukar; Vijesh, A. M.; Isloor, Arun M.; Arulmoli, T.","Diethyl 4-[5-(biphenyl-4-yl)-1<i>H</i>-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate ethanol monosolvate","Acta Crystallographica Section E","2011","67","7","o1768","o1769","10.1107/S160053681102349X","","","0.71073","MoKα","","0.0592","0.0448","","","0.1173","0.1274","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230744","20.377","0.0001","20.377","0.0001","36.9066","0.0007","90","","90","","90","","15324.4","0.3","100","1","100","1","","","","","","","","4","I 41/a :2","-I 4ad","88","2,2'-(Thiophen-3-ylmethanetriyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-enone)","3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(thiophen- 3-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one","","- C21 H26 O4 S -","- C21 H26 O4 S -","- C672 H832 O128 S32 -","32","2","IS2734","Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(thiophen-3-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2011","67","7","o1813","","10.1107/S160053681102407X","","","0.71073","MoKα","","0.0613","0.0488","","","0.1235","0.1319","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230745","13.8568","0.0003","5.0379","0.0001","26.8582","0.0005","90","","90","","90","","1874.95","0.07","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C72 H88 N24 O24 -","8","2","IS2735","Fun, Hoong-Kun; Yeap, Chin Sing; Malladi, Shridhar; Isloor, Arun M.","(<i>E</i>)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2011","67","7","o1786","","10.1107/S1600536811024068","","","0.71073","MoKα","","0.0415","0.0369","","","0.0949","0.0979","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230746","20.5756","0.0004","8.1298","0.0001","14.0411","0.0003","90","","98.871","0.001","90","","2320.64","0.07","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Glycozolidal","2,7-Dimethoxy-9<i>H</i>-carbazole-3-carbaldehyde","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","IS2736","Fun, Hoong-Kun; Maneerat, Wisanu; Laphookhieo, Surat; Chantrapromma, Suchada","Glycozolidal","Acta Crystallographica Section E","2011","67","7","o1811","o1812","10.1107/S1600536811024160","","","0.71073","MoKα","","0.0425","0.0389","","","0.1099","0.1151","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230747","8.096","0.006","23.323","0.006","8.404","0.003","90","","110.83","0.05","90","","1483.2","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(3-Chloro-4-fluorophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H13 Cl F N O -","- C18 H13 Cl F N O -","- C72 H52 Cl4 F4 N4 O4 -","4","1","IS2737","Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Narayana, B.; Yathirajan, H. S.","<i>N</i>-(3-Chloro-4-fluorophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2011","67","7","o1826","","10.1107/S1600536811024597","","","0.71073","MoKα","","0.0569","0.0435","","","0.1096","0.119","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230748","8.698","0.0003","21.7471","0.0008","14.5824","0.0006","90","","95.153","0.002","90","","2747.2","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxybenzenesulfonamido)benzoic acid","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C112 H104 N8 O40 S8 -","8","2","IS2741","Khan, Islam Ullah; Mustafa, Ghulam; Akkurt, Mehmet","4-(4-Methoxybenzenesulfonamido)benzoic acid","Acta Crystallographica Section E","2011","67","7","o1857","","10.1107/S1600536811025098","","","0.71073","MoKα","","0.0569","0.044","","","0.1092","0.1195","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230749","12.653","0.003","5.9049","0.0012","29.974","0.008","90","","109.08","0.03","90","","2116.5","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Phenyl-1-(<i>p</i>-tolyl)-1<i>H</i>-benzo[<i>f</i>]chromene benzene hemisolvate","","- C29 H23 O -","- C29 H23 O -","- C116 H92 O4 -","4","1","JH2252","Xue, Meng Wei","3-Phenyl-1-(<i>p</i>-tolyl)-1<i>H</i>-benzo[<i>f</i>]chromene benzene hemisolvate","Acta Crystallographica Section E","2011","67","7","o1668","","10.1107/S1600536811001668","","","0.71073","MoKα","","0.2235","0.0802","","","0.1116","0.144","","","","","","0.933","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230750","8.9285","0.0015","11.6759","0.0019","21.939","0.004","90","","90","","90","","2287.1","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Schiff-base","2-((<i>E</i>)-{(<i>S</i>)-(6-Methoxyquinolin-4-yl)[(2<i>S</i>)-8- vinylquinuclidin-2-yl]methylimino}methyl)phenol","","- C27 H29 N3 O2 -","- C27 H29 N3 O2 -","- C108 H116 N12 O8 -","4","1","JH2284","Wei, Yu; He, Wei","2-((<i>E</i>)-{(<i>S</i>)-(6-Methoxyquinolin-4-yl)[(2<i>S</i>)-8-vinylquinuclidin-2-yl]methylimino}methyl)phenol","Acta Crystallographica Section E","2011","67","7","o1674","","10.1107/S1600536811021507","","","0.71073","MoKα","","0.0366","0.0315","","","0.0802","0.084","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230751","8.33","0.005","14.365","0.005","15.634","0.005","90","0.005","90","0.005","90","0.005","1870.8","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(4-methylpyridine- κ<i>N</i>)cobalt(III) hemihydrate","","- C14 H22 Cl Co N5 O4.5 -","- C14 H22 Cl Co N5 O4.5 -","- C56 H88 Cl4 Co4 N20 O18 -","4","1","JH2292","Amutha Selvi, Madhavan; Arun Kumar, Kannan; Dayalan, Arunachalam","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(4-methylpyridine-κ<i>N</i>)cobalt(III) hemihydrate","Acta Crystallographica Section E","2011","67","7","m851","m852","10.1107/S1600536811020162","","","0.71073","MoKα","","0.036","0.0294","","","0.0731","0.0765","","","","","","1.02","","","","has coordinates,has Fobs","194525","2020-10-21","18:00:00",""
"2230752","10.0196","0.0009","12.1718","0.0012","14.3037","0.0014","98.463","0.007","103.642","0.008","104.4","0.009","1602.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-4-trifluoromethyl- 1,3-diazinane-5-carboxylate monohydrate","","- C14 H16 F4 N2 O5 -","- C14 H16 F4 N2 O5 -","- C56 H64 F16 N8 O20 -","4","2","JH2293","Li, Gong-Chun; Wu, Chang-Zeng; Guo, Li-Li; Yang, Feng-Ling","Ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-4-trifluoromethyl-1,3-diazinane-5-carboxylate monohydrate","Acta Crystallographica Section E","2011","67","7","o1704","o1705","10.1107/S1600536811021866","","","0.71073","MoKα","","0.0464","0.0313","","","0.0692","0.0721","","","","","","0.87","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230753","9.9418","0.0012","18.456","0.003","10.1151","0.0014","90","","104.361","0.002","90","","1798","0.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Dimethyl-4-(1-methyl-3-oxo-3-phenylprop-1-enylamino)-2-phenyl-1<i>H</i>- pyrazol-3(2<i>H</i>)-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","JH2294","Zhu, Hualing; Wang, Zhan; Ren, Junjie; Zhang, Miao; Xu, Wei","1,5-Dimethyl-4-(1-methyl-3-oxo-3-phenylprop-1-enylamino)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1640","","10.1107/S1600536811021945","","","0.71073","MoKα","","0.0783","0.0694","","","0.1728","0.1804","","","","","","1.113","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230754","4.9017","0.0004","10.3022","0.0009","30.178","0.003","90","","93.541","0.001","90","","1521","0.2","298","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene]bis[aqua(pyridine-2,6- dicarboxylato)copper(II)] monohydrate","","- C26 H24 Cu2 N8 O11 -","- C26 H24 Cu2 N8 O11 -","- C52 H48 Cu4 N16 O22 -","2","0.5","JH2295","Dong, Gui-Ying; He, Cui-Hong; Tong-Fei, Liu; Deng, Xiao-Chen; Shi, Xiao-Ge","[μ-1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene]bis[aqua(pyridine-2,6-dicarboxylato)copper(II)] monohydrate","Acta Crystallographica Section E","2011","67","7","m944","","10.1107/S1600536811022756","","","0.71073","MoKα","","0.0542","0.0469","","","0.1538","0.1608","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230755","8.6164","0.0017","13.579","0.003","14.56","0.003","94.53","0.03","96.36","0.03","92.22","0.03","1685.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-adamantane-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)bis[aqua(3- carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)] dihydrate","","- C72 H82 Er2 N4 O20 -","- C72 H82 Er2 N4 O20 -","- C72 H82 Er2 N4 O20 -","1","0.5","JH2296","Zhu, Hong-lin; Huang, Wen-xiang; Chang, Hai-sheng","Bis(μ-adamantane-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)bis[aqua(3-carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)] dihydrate","Acta Crystallographica Section E","2011","67","7","m959","","10.1107/S1600536811023075","","","0.71073","MoKα","","0.0376","0.0298","","","0.063","0.0672","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230756","10.1347","0.0002","14.0808","0.0003","19.8975","0.0004","69.485","0.001","77.798","0.001","87.516","0.001","2597.84","0.09","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","{Bis[2-(diphenylphosphanyl)ethyl]phenylphosphane- κ^3^<i>P</i>,<i>P</i>',<i>P</i>''}[(<i>Z</i>)-8-mesitylcyclooct-4-en-1- yl]platinum(II) tetrafluoridoborate dichloromethane disolvate","","- C53 H60 B Cl4 F4 P3 Pt -","- C53 H58 B Cl4 F4 P3 Pt -","- C106 H116 B2 Cl8 F8 P6 Pt2 -","2","1","JH2297","Zhao, Shu-Bin; Wang, Rui-Yao; Gagné, Michel R.","{Bis[2-(diphenylphosphanyl)ethyl]phenylphosphane-κ^3^<i>P</i>,<i>P</i>',<i>P</i>''}[(<i>Z</i>)-8-mesitylcyclooct-4-en-1-yl]platinum(II) tetrafluoridoborate dichloromethane disolvate","Acta Crystallographica Section E","2011","67","7","m972","","10.1107/S1600536811023853","","","0.71073","MoKα","","0.0244","0.0217","","","0.0514","0.0528","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230757","10.725","0.0003","7.0066","0.0003","13.4479","0.0004","90","","101.801","0.003","90","","989.19","0.06","120","2","120","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","1-(bromomethyl)adamantane","","- C11 H17 Br -","- C11 H17 Br -","- C44 H68 Br4 -","4","0.5","JH2298","Černochová, Jarmila; Čablová, Andrea; Rouchal, Michal; Nečas, Marek; Vícha, Robert","1-(Bromomethyl)adamantane","Acta Crystallographica Section E","2011","67","7","o1820","","10.1107/S1600536811023695","","","0.71073","MoKα","","0.0177","0.0167","","","0.0477","0.0478","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230758","11.447","0.002","7.8664","0.0015","15.159","0.003","90","","107.128","0.004","90","","1304.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ethyl-1-methyl-3-(2-nitrobenzoyl)thiourea","","- C11 H13 N3 O3 S -","- C11 H13 N3 O3 S -","- C44 H52 N12 O12 S4 -","4","1","JH2299","Al-abbasi, Aisha A.; Kassim, Mohammad B.","1-Ethyl-1-methyl-3-(2-nitrobenzoyl)thiourea","Acta Crystallographica Section E","2011","67","7","o1840","","10.1107/S1600536811024652","","","0.71073","MoKα","","0.0492","0.0427","","","0.1172","0.1237","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230759","32.0959","0.0007","32.0959","0.0007","13.7578","0.0005","90","","90","","90","","14172.6","0.7","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-(5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-ylidene)- <i>N</i>,<i>N</i>-dimethylpropanaminium chloride","","- C20 H22 Cl N -","- C20 H22 Cl N -","- C640 H704 Cl32 N32 -","32","2","JH2300","Siddegowda, M. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Swamy, M. T.","Cyclobenzaprinium chloride","Acta Crystallographica Section E","2011","67","7","o1846","","10.1107/S1600536811024676","","","0.71073","MoKα","","0.0932","0.0707","","","0.1791","0.1981","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230760","18.723","0.004","8.8319","0.0017","15.806","0.003","90","","104.728","0.003","90","","2527.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitroso-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one","","- C31 H27 N3 O2 -","- C31 H27 N3 O2 -","- C124 H108 N12 O8 -","4","1","JJ2089","Natarajan, Sampath; Mathews, Rita","3-Nitroso-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2011","67","7","o1686","","10.1107/S1600536811022203","","","0.71073","MoKα","","0.1451","0.0811","","","0.1606","0.1873","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230761","14.2704","0.0006","9.2716","0.0004","25.9206","0.0008","90","","139.588","0.001","90","","2223.3","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 2-{4-diethylamino-2-[(dimethylcarbamothioyl)oxy]benzylidene}malonate","","- C21 H30 N2 O5 S -","- C21 H30 N2 O5 S -","- C84 H120 N8 O20 S4 -","4","1","KJ2176","Sun, Dan; Fan, Xiao-Xing; Yang, Shi-Yao; Zheng, Hong","Diethyl 2-{4-diethylamino-2-[(dimethylcarbamothioyl)oxy]benzylidene}malonate","Acta Crystallographica Section E","2011","67","7","o1854","","10.1107/S1600536811024305","","","0.71073","MoKα","","0.0786","0.0683","","","0.1495","0.1551","","","","","","1.178","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230762","6.9781","0.0003","23.2517","0.0011","11.8395","0.0005","90","","105.828","0.003","90","","1848.16","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","","- C19 H18 Cl2 N2 Ni O2 -","- C19 H18 Cl2 N2 Ni O2 -","- C76 H72 Cl8 N8 Ni4 O8 -","4","1","KJ2181","Kargar, Hadi; Kia, Reza; Pahlavani, Elham; Tahir, Muhammad Nawaz","{4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","Acta Crystallographica Section E","2011","67","7","m941","","10.1107/S1600536811022732","","","0.71073","MoKα","","0.0686","0.0392","","","0.0708","0.081","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230763","5.0319","0.0015","28.207","0.009","9.408","0.003","90","","99.503","0.005","90","","1317","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyloxy-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one","","- C16 H12 N4 O2 -","- C16 H12 N4 O2 -","- C64 H48 N16 O8 -","4","1","KP2309","Al-Salahi, Rashad; Detlef, Geffken; Ahmed, Bari","2-Benzyloxy-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1861","","10.1107/S1600536811024962","","","0.71073","MoKα","","0.093","0.047","","","0.0846","0.0983","","","","","","0.801","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230764","12.262","0.003","10.202","0.002","12.845","0.003","90","","98.43","0.03","90","","1589.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium chloride","","- C17 H24 Cl N O -","- C17 H24 Cl N O -","- C68 H96 Cl4 N4 O4 -","4","1","KP2325","Rong, Tao","<i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium chloride","Acta Crystallographica Section E","2011","67","7","o1602","","10.1107/S1600536811020794","","","0.71073","MoKα","","0.1142","0.0737","","","0.1884","0.2166","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230765","8.6772","0.0017","12.243","0.002","13.53","0.003","66.81","0.03","84.66","0.03","86.4","0.03","1315","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-<i>N</i>,<i>N</i>',<i>N</i>''-tri-3-pyridylpyridine-1,3,5- tricarboxamide-κ^2^<i>N</i>:<i>N</i>')bis[dichloridomercury(II)] methanol disolvate","","- C50 H44 Cl4 Hg2 N12 O8 -","- C50 H44 Cl4 Hg2 N12 O8 -","- C50 H44 Cl4 Hg2 N12 O8 -","1","0.5","KP2329","Wang, Pei; Wang, Yufei; Huang, Chao; Chang, Lixiang; Wu, Jie","Bis(μ-<i>N</i>,<i>N</i>',<i>N</i>''-tri-3-pyridylpyridine-1,3,5-tricarboxamide-κ^2^<i>N</i>:<i>N</i>')bis[dichloridomercury(II)] methanol disolvate","Acta Crystallographica Section E","2011","67","7","m859","","10.1107/S160053681102040X","","","0.71073","MoKα","","0.0541","0.0434","","","0.069","0.0735","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230766","8.7161","0.0005","16.5999","0.0009","11.7913","0.0006","90","","100.827","0.001","90","","1675.67","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1'-Di-<i>tert</i>-butyl-2,2',3,3',4,4',5,5'-octaethyl-1,1'-bistannole","","- C32 H58 Sn2 -","- C32 H58 Sn2 -","- C64 H116 Sn4 -","2","0.5","KP2332","Kuwabara, Takuya; Saito, Masaichi","1,1'-Di-<i>tert</i>-butyl-2,2',3,3',4,4',5,5'-octaethyl-1,1'-bistannole","Acta Crystallographica Section E","2011","67","7","m949","","10.1107/S1600536811022951","","","0.71073","MoKα","","0.0185","0.017","","","0.0422","0.0432","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230767","13.0222","0.0001","7.2288","0.0001","18.5819","0.0002","90","","100.76","0.001","90","","1718.45","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~2~-aqua-μ~2~-(5-methylpyrazine-2-carboxylato)- (5-methylpyrazine-2-carboxylato)-μ~3~-nitrato-trilithium]","","- C12 H14 Li3 N5 O9 -","- C12 H14 Li3 N5 O9 -","- C48 H56 Li12 N20 O36 -","4","1","KP2334","Starosta, Wojciech; Leciejewicz, Janusz","Poly[di-μ~2~-aqua-μ~2~-(5-methylpyrazine-2-carboxylato)-(5-methylpyrazine-2-carboxylato)-μ~3~-nitrato-trilithium]","Acta Crystallographica Section E","2011","67","7","m1000","m1001","10.1107/S1600536811024548","","","1.54184","CuKα","","0.0447","0.0397","","","0.1183","0.1217","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230768","7.8406","0.0005","16.8767","0.0012","17.542","0.0013","90","","90","","90","","2321.2","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-Ethyl 2-benzylidene-3-oxobutanoate","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","KP2335","Ismiyev, Arif I.","(<i>Z</i>)-Ethyl 2-benzylidene-3-oxobutanoate","Acta Crystallographica Section E","2011","67","7","o1863","","10.1107/S1600536811024974","","","0.71073","MoKα","","0.1065","0.0526","","","0.1008","0.1248","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230769","11.644","0.002","16.228","0.003","12.431","0.003","90","","91.75","0.03","90","","2347.9","0.8","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>^4^,<i>N</i>^4'^-Bis(4-methoxybenzylidene)-3,3'-dimethylbenzidine","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","0.5","KP2337","Wang, Juangang; Yang, Peipei; Yang, Jin","<i>N</i>^4^,<i>N</i>^4'^-Bis(4-methoxybenzylidene)-3,3'-dimethylbenzidine","Acta Crystallographica Section E","2011","67","7","o1753","","10.1107/S1600536811023749","","","0.71073","MoKα","","0.0457","0.0391","","","0.1069","0.1112","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230770","4.9272","0.0008","11.673","0.002","11.933","0.002","82.104","0.002","87.994","0.002","80.849","0.002","671.11","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,5-Bis[(3-hydroxypropyl)amino]-1,4-benzoquinone monohydrate","","- C12 H20 N2 O5 -","- C12 H20 N2 O5 -","- C24 H40 N4 O10 -","2","1","LD2011","Wang, Jian; Liu, Weiwei; Guan, Tongwei; Yin, Fujun; Sun, Yuxi","2,5-Bis[(3-hydroxypropyl)amino]-1,4-benzoquinone monohydrate","Acta Crystallographica Section E","2011","67","7","o1632","","10.1107/S1600536811021635","","","0.71073","MoKα","","0.0696","0.0453","","","0.1021","0.1158","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230771","7.1824","0.0015","11.233","0.003","11.43","0.003","101.858","0.008","93.794","0.009","104.606","0.009","866.5","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","5'-Methyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'<i>H</i>-spiro[cyclohexane-1,2'- quinazoline]-8'-carbonitrile","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C42 H42 N6 O2 -","2","1","LD2014","Tang, Jianhong; Shi, Daxin; Yan, Liupan; Liu, Xuan; Li, Jiarong","5'-Methyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'<i>H</i>-spiro[cyclohexane-1,2'-quinazoline]-8'-carbonitrile","Acta Crystallographica Section E","2011","67","7","o1672","","10.1107/S160053681102188X","","","0.71073","MoKα","","0.0655","0.0479","","","0.108","0.1168","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230772","12.416","0.005","19.322","0.006","9.225","0.004","90","","106.156","0.016","90","","2125.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]-2-phenoxyacetohydrazide‒ 2,2'-(1,1'-azinodiethylidyne)diphenol (2/1)","","- C48 H48 N6 O8 -","- C48 H48 N6 O8 -","- C96 H96 N12 O16 -","2","0.5","LD2015","Tang, Yan-Ru","(<i>E</i>)-<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]-2-phenoxyacetohydrazide‒2,2'-(1,1'-azinodiethylidyne)diphenol (2/1)","Acta Crystallographica Section E","2011","67","7","o1819","","10.1107/S1600536811023956","","","0.71073","MoKα","","0.1425","0.0682","","","0.1308","0.156","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230773","8.814","0.003","14.997","0.005","10.215","0.003","90","","95.711","0.006","90","","1343.6","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","","- C13 H15 F N2 S -","- C13 H15 F N2 S -","- C52 H60 F4 N8 S4 -","4","1","LD2016","Yamin, Bohari M.; Lawi, Ruhana L.; Salem, Halima F.","1-(3-Fluorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","7","o1810","","10.1107/S1600536811023671","","","0.71073","MoKα","","0.088","0.059","","","0.14","0.153","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230774","7.793","0.005","7.793","0.005","52.59","0.05","90","","90","","90","","3194","4","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(6a<i>S</i>,11a<i>R</i>,11c<i>S</i>)-8-Sulfanylidene- 2,3,5,6,6a,7,11,11a,11b,11c-decahydro- 3a,7a-diaza-1<i>H</i>,4<i>H</i>-benzo[<i>de</i>]anthracen-3a-ium chloride hemihydrate","","- C15 H24 Cl N2 O0.5 S -","- C15 H24 Cl N2 O0.5 S -","- C120 H192 Cl8 N16 O4 S8 -","8","1","LH5190","Wang, Liang; Zhang, Chun-Mei; Guo, Jun-Xiang; Wu, Qiu-Ye; Hu, Hong-Gang","(6a<i>S</i>,11a<i>R</i>,11c<i>S</i>)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1<i>H</i>,4<i>H</i>-benzo[<i>de</i>]anthracen-3a-ium chloride hemihydrate","Acta Crystallographica Section E","2011","67","7","o1743","o1744","10.1107/S160053681100972X","","","0.71073","MoKα","","0.0801","0.071","","","0.199","0.2043","","","","","","1.225","","","","has coordinates,has Fobs","199684","2020-10-21","18:00:00",""
"2230775","15.0626","0.0007","9.8901","0.0005","17.382","0.0008","90","","90.15","0.002","90","","2589.4","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,6-Bis(diphenylphosphanyloxy)phenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']hydroxidonickel(II)","","- C30 H24 Ni O3 P2 -","- C30 H24 Ni O3 P2 -","- C120 H96 Ni4 O12 P8 -","4","1","LH5216","Zargarian, Davit; Salah, Abderrahmen","[2,6-Bis(diphenylphosphanyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']hydroxidonickel(II)","Acta Crystallographica Section E","2011","67","7","m940","","10.1107/S1600536811014267","","","1.54178","CuKα","","0.0547","0.0528","","","0.1411","0.1431","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230776","9.5882","0.0012","19.155","0.003","10.3801","0.0013","90","","100.562","0.003","90","","1874.1","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[Bis(1<i>H</i>-indol-3-yl)methyl]benzonitrile","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","1","LH5252","Deng, Xiang; Wu, Di; Huang, Xiaomei; Luo, Feihua","4-[Bis(1<i>H</i>-indol-3-yl)methyl]benzonitrile","Acta Crystallographica Section E","2011","67","7","o1603","","10.1107/S1600536811020411","","","0.71073","MoKα","","0.0544","0.041","","","0.102","0.1099","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230777","18.367","0.004","10.753","0.002","19.02","0.004","90","","100.94","0.03","90","","3688.2","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline)cobalt(II) bis(trichloroacetate)","","- C40 H24 Cl6 Co N6 O4 -","- C40 H24 Cl6 Co N6 O4 -","- C160 H96 Cl24 Co4 N24 O16 -","4","0.5","LH5253","Li, Li-Min; Li, Yu-Feng; Liu, Li; Zhang, Zeng-Hui","Tris(1,10-phenanthroline)cobalt(II) bis(trichloroacetate)","Acta Crystallographica Section E","2011","67","7","m973","","10.1107/S160053681102410X","","","0.71073","MoKα","","0.0565","0.0484","","","0.1314","0.1418","","","","","","0.89","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230778","9.508","0.0005","6.72","0.0004","17.5195","0.0009","90","","101.044","0.001","90","","1098.66","0.1","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-2-(3-oxobutan-2-yl)indan-1,3-dione","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","LH5255","Ghalib, Raza Murad; Hashim, Rokiah; Mehdi, Sayed Hasan; Yeap, Chin Sing; Fun, Hoong-Kun","2-Hydroxy-2-(3-oxobutan-2-yl)indan-1,3-dione","Acta Crystallographica Section E","2011","67","7","o1576","","10.1107/S1600536811020253","","","0.71073","MoKα","","0.0553","0.048","","","0.1325","0.1396","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230779","10.096","0.001","13.8967","0.0013","18.2577","0.0017","69.765","0.002","84.826","0.002","73.195","0.002","2300.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Benzyltriphenylphosphonium perchlorate","","- C25 H22 Cl O4 P -","- C25 H22 Cl O4 P -","- C100 H88 Cl4 O16 P4 -","4","2","LH5256","Li, Liwei; He, Xiaoqiang","Benzyltriphenylphosphonium perchlorate","Acta Crystallographica Section E","2011","67","7","o1635","","10.1107/S1600536811021660","","","0.71073","MoKα","","0.0845","0.0603","","","0.1615","0.185","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230780","9.4498","0.0019","10.856","0.002","21.93","0.004","90","","90","","90","","2249.7","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)pyrrolidine-1-carboxamide","","- C11 H13 Cl N2 O -","- C11 H13 Cl N2 O -","- C88 H104 Cl8 N16 O8 -","8","1","LH5257","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)pyrrolidine-1-carboxamide","Acta Crystallographica Section E","2011","67","7","o1792","","10.1107/S1600536811024111","","","0.71073","MoKα","","0.0511","0.0458","","","0.1249","0.1304","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230781","9.618","0.0019","12.971","0.003","15.612","0.003","90","","102.98","0.03","90","","1897.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dimethyl sulfoxide-κ<i>O</i>)trimethyl(2-methyl- 3,5-dinitrobenzoato-κ<i>O</i>^1^)tin(IV)","","- C13 H20 N2 O7 S Sn -","- C13 H20 N2 O7 S Sn -","- C52 H80 N8 O28 S4 Sn4 -","4","1","LH5258","Danish, Muhammed; Ghafoor, Sabiha; Ahmad, Nazir; Starosta, Wojciech; Leciejewicz, Janusz","(Dimethyl sulfoxide-κ<i>O</i>)trimethyl(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>^1^)tin(IV)","Acta Crystallographica Section E","2011","67","7","m923","","10.1107/S1600536811022240","","","0.71073","MoKα","","0.1051","0.0458","","","0.1187","0.1437","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230782","9.615","0.008","14.132","0.014","3.991","0.004","90","","90","","90","","542.3","0.9","125","","125","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Bis(furan-2-ylcarbonyl) diselenide","","- C10 H6 O4 Se2 -","- C10 H6 O4 Se2 -","- C20 H12 O8 Se4 -","2","0.5","LH5259","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(furan-2-ylcarbonyl) diselenide","Acta Crystallographica Section E","2011","67","7","o1586","","10.1107/S160053681102085X","","","0.71075","MoKα","","","0.0502","","","","0.1312","","","","","","1.09","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230783","10.6525","0.0012","11.7642","0.0014","16.5482","0.0019","89.128","0.001","78.713","0.001","67.24","0.001","1871.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","DippGuan-Mo(CO)3","Tricarbonyl[<i>N</i>,<i>N</i>',<i>N</i>''-tris(2,6- diisopropylphenyl)guanidine]molybdenum(0)","","- C40 H53 Mo N3 O3 -","- C40 H53 Mo N3 O3 -","- C80 H106 Mo2 N6 O6 -","2","1","LH5261","Boeré, René T.; Masuda, Jason D.","Tricarbonyl[<i>N</i>,<i>N</i>',<i>N</i>''-tris(2,6-diisopropylphenyl)guanidine]molybdenum(0)","Acta Crystallographica Section E","2011","67","7","m895","m896","10.1107/S1600536811021441","","","0.71073","MoKα","","0.0506","0.0379","","","0.1091","0.1146","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230784","17.8256","0.0015","8.7584","0.0006","11.9182","0.0008","90","","100.404","0.005","90","","1830.1","0.2","100","0.1","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","Methyl 2-acetamido-2-(4-hydroxy-2-methyl-1,3-dioxo- 1,2,3,4-tetrahydroisoquinolin-4-yl)-4-methylpentanoate","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","LH5262","Fun, Hoong-Kun; Quah, Ching Kheng; Xu, Kai; Zhang, Yan","Methyl 2-acetamido-2-(4-hydroxy-2-methyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-methylpentanoate","Acta Crystallographica Section E","2011","67","7","o1710","o1711","10.1107/S1600536811022999","","","1.54178","CuKα","","0.0239","0.0236","","","0.0587","0.059","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230785","7.8424","0.0005","14.6799","0.0009","25.7677","0.0014","90","","90","","90","","2966.5","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-2-oxoethyl 2-methoxybenzoate","","- C16 H13 Br O4 -","- C16 H13 Br O4 -","- C128 H104 Br8 O32 -","8","1","LH5263","Fun, Hoong-Kun; Quah, Ching Kheng; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 2-methoxybenzoate","Acta Crystallographica Section E","2011","67","7","o1724","","10.1107/S1600536811023002","","","0.71073","MoKα","","0.0747","0.0368","","","0.0806","0.0946","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230786","7.77","0.002","24.254","0.006","7.889","0.002","90","","95.383","0.003","90","","1480.2","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-<i>N</i>'-(2-chloro-5-nitrobenzylidene)benzohydrazide","","- C14 H9 Cl2 N3 O3 -","- C14 H9 Cl2 N3 O3 -","- C56 H36 Cl8 N12 O12 -","4","1","LH5264","Zhang, Zhen","3-Chloro-<i>N</i>'-(2-chloro-5-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","7","o1639","","10.1107/S160053681102157X","","","0.71073","MoKα","","0.119","0.0595","","","0.1236","0.1516","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230787","7.626","0.002","18.846","0.005","12.739","0.003","90","","94.689","0.004","90","","1824.7","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide methanol disolvate","","- C16 H18 Cl N3 O6 -","- C16 H18 Cl N3 O6 -","- C64 H72 Cl4 N12 O24 -","4","1","LH5265","Zhang, Zhen","3-Chloro-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide methanol disolvate","Acta Crystallographica Section E","2011","67","7","o1630","","10.1107/S1600536811021568","","","0.71073","MoKα","","0.1406","0.0666","","","0.1702","0.2082","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230788","7.9537","0.0016","13.42","0.003","21.004","0.004","90","","90.55","0.03","90","","2241.8","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Piperazine-1,4-diium bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cobaltate(II) tetrahydrate","","- C18 H26 Co N4 O12 -","- C18 H26 Co N4 O12 -","- C72 H104 Co4 N16 O48 -","4","1","LH5266","Raissi Shabari, Akbar; Ghoddoosi, Nazanin; Pourayoubi, Mehrdad; Moradi, Shahram","Piperazine-1,4-diium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cobaltate(II) tetrahydrate","Acta Crystallographica Section E","2011","67","7","m985","m986","10.1107/S1600536811023518","","","0.71073","MoKα","","0.043","0.034","","","0.0743","0.0774","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230789","18.7512","0.0018","7.3182","0.0006","24.338","0.002","90","","109.493","0.001","90","","3148.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(Dimethylamino)benzaldehyde‒2,4-dinitroaniline (1/1)","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C120 H128 N32 O40 -","8","2","LH5267","Zhu, Ruitao; Li, Haoyang; Zhang, Yuewen","4-(Dimethylamino)benzaldehyde‒2,4-dinitroaniline (1/1)","Acta Crystallographica Section E","2011","67","7","o1676","","10.1107/S160053681102232X","","","0.71073","MoKα","","0.1327","0.0481","","","0.0751","0.0866","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230790","9.7139","0.0019","19.428","0.004","13.856","0.003","90","","97.39","0.03","90","","2593.2","0.9","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-[1,4-Phenylenebis(methylene)]bis(2-methyl-1<i>H</i>-imidazol-3-ium) 2,4-dicarboxybenzene-1,5-dicarboxylate monohydrate","","- C26 H26 N4 O9 -","- C26 H26 N4 O9 -","- C104 H104 N16 O36 -","4","1","LH5268","Dong, Gui-Ying; Liu, Tong-Fei; He, Cui-Hong; Deng, Xiao-Chen; Shi, Xiao-Ge","1,1'-[1,4-Phenylenebis(methylene)]bis(2-methyl-1<i>H</i>-imidazol-3-ium) 2,4-dicarboxybenzene-1,5-dicarboxylate monohydrate","Acta Crystallographica Section E","2011","67","7","o1696","","10.1107/S160053681102263X","","","0.71073","MoKα","","0.1191","0.0725","","","0.1288","0.1435","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230791","21.1309","0.0007","5.6572","0.0002","8.229","0.0003","90","","90","","90","","983.71","0.06","130","2","130","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","1,3-Bis[(-)-(<i>S</i>)-(1-phenylethyl)iminomethyl]benzene","","- C24 H24 N2 -","- C24 H24 N2 -","- C48 H48 N4 -","2","0.5","LR2012","García, Tania; Bernès, Sylvain; Flores-Alamo, Marcos; Hernández, Guadalupe; Gutiérrez, René","1,3-Bis[({-})-(<i>S</i>)-(1-phenylethyl)iminomethyl]benzene","Acta Crystallographica Section E","2011","67","7","o1648","o1649","10.1107/S1600536811021556","","","0.71073","MoKα","","0.0342","0.0294","","","0.0708","0.0726","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230792","15.103","0.003","11.073","0.002","9.166","0.0018","90","","112.72","0.03","90","","1413.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Pimelic acid‒urea (1/2)","Heptanedioic acid‒urea (1/2)","","- C9 H20 N4 O6 -","- C9 H20 N4 O6 -","- C36 H80 N16 O24 -","4","0.5","LR2013","Xu, Wei; Huang, Wen-xiang; Chen, Hong-yan","Pimelic acid‒urea (1/2)","Acta Crystallographica Section E","2011","67","7","o1795","","10.1107/S1600536811023439","","","0.71073","MoKα","","0.0647","0.0426","","","0.1149","0.1349","","","","","","1.144","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230793","9.4233","0.0005","12.3523","0.0007","12.5772","0.0007","92.007","0.001","98.497","0.001","103.685","0.001","1403.07","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-2-({[(1-methyl-1<i>H</i>-benzimidazol-2- yl)methyl](phenyl)amino}methyl)1<i>H</i>-benzimidazol-3-ium picrate","","- C30 H26 N8 O7 -","- C30 H26 N8 O7 -","- C60 H52 N16 O14 -","2","1","LR2014","Liu, Bin; Kou, Fan; Jia, Fei; Yuan, Jingkui; Wu, Huilu","1-Methyl-2-({[(1-methyl-1<i>H</i>-benzimidazol-2-yl)methyl](phenyl)amino}methyl)1<i>H</i>-benzimidazol-3-ium picrate","Acta Crystallographica Section E","2011","67","7","o1816","","10.1107/S1600536811024275","","","0.71073","MoKα","","0.0923","0.0616","","","0.1725","0.2205","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230794","7.828","0.002","14.308","0.004","8.93","0.002","90","","93.59","0.003","90","","998.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Carboxy-2-isopropyl-1<i>H</i>-imidazol-3-ium-4-carboxylate monohydrate","","- C8 H12 N2 O5 -","- C8 H12 N2 O5 -","- C32 H48 N8 O20 -","4","1","LR2015","Du, Chao-Jun; Shi, Zheng-Hai; Wang, Li-Sheng; Du, Chao-Ling","5-Carboxy-2-isopropyl-1<i>H</i>-imidazol-3-ium-4-carboxylate monohydrate","Acta Crystallographica Section E","2011","67","7","o1837","","10.1107/S1600536811024767","","","0.71073","MoKα","","0.0586","0.043","","","0.1121","0.1229","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230795","12.463","0.0002","24.3243","0.0005","9.235","0.0002","90","","109.608","0.001","90","","2637.28","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl- 1,2,5,6-tetrahydropyridine-3-carboxylate","","- C29 H26 N2 O5 S -","- C29 H26 N2 O5 S -","- C116 H104 N8 O20 S4 -","4","1","LW2065","Aridoss, G.; Sundaramoorthy, S.; Velmurugan, D.; Jeong, Y. T.","Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2011","67","7","o1731","","10.1107/S1600536811022744","","","0.71073","MoKα","","0.0881","0.0457","","","0.1082","0.1282","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230796","9.3644","0.0013","9.8132","0.0014","11.1502","0.0015","103.575","0.008","90.36","0.008","106.089","0.008","954.2","0.2","296","2","296","2","101","","","","","","","5","P -1","-P 1","2","","3'-(4-Methoxyphenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[1-benzothiophene- 2,5'-isoxazol]-3-one","","- C23 H17 N O3 S -","- C23 H17 N O3 S -","- C46 H34 N2 O6 S2 -","2","1","LW2066","Boughaleb, Adil; Zouihri, Hafid; Gmouh, Said; Kerbal, Abdelali; El yazidi, Mohamed","3'-(4-Methoxyphenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[1-benzothiophene-2,5'-isoxazol]-3-one","Acta Crystallographica Section E","2011","67","7","o1850","","10.1107/S1600536811024408","","","0.71073","MoKα","","0.0596","0.0401","","","0.1064","0.1173","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230797","6.05837","0.0001","8.33827","0.00014","40.9992","0.0007","90","","90","","90","","2071.13","0.06","291","2","291","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,5-Di-<i>O</i>-benzoyl-1,2-<i>O</i>-isopropylidene- α-D-<i>ribo</i>-hexos-3-ulo-1,4:3,6-difuranose","","- C23 H22 O8 -","- C23 H22 O8 -","- C92 H88 O32 -","4","1","LW2067","Zhang, Qiurong; Chen, Xuebin; Zhu, Nan; Jiang, Tengfei; Liu, Hongmin","3,5-Di-<i>O</i>-benzoyl-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-<i>ribo</i>-hexos-3-ulo-1,4:3,6-difuranose","Acta Crystallographica Section E","2011","67","7","o1800","","10.1107/S1600536811024317","","","1.5418","CuKα","","0.0376","0.0364","","","0.0926","0.0937","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230798","13.6591","0.0004","13.7104","0.0004","9.3177","0.0002","90","","98.94","0.001","90","","1723.74","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-5-(4-methoxyphenoxy)-2-(pyridin-4-yl)-3<i>H</i>- imidazo[4,5-<i>b</i>]pyridine","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","LX2189","Ranjith, S.; SubbiahPandi, A.; Suresh, A. D.; Pitchumani, K.","3-Ethyl-5-(4-methoxyphenoxy)-2-(pyridin-4-yl)-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2011","67","7","o1764","","10.1107/S1600536811023543","","","0.71073","MoKα","","0.0771","0.0464","","","0.1196","0.1399","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230799","12.9814","0.0004","6.5948","0.0002","10.7062","0.0003","90","","90","","90","","916.55","0.05","296","2","296","2","","","","","","","","5","I m a 2","I 2 -2a","46","","Disilver(I) tricobalt(II) hydrogenphosphate bis(phosphate)","","- Ag2 Co3 H O12 P3 -","- Ag2 Co3 H O12 P3 -","- Ag8 Co12 H4 O48 P12 -","4","0.5","MG2119","Assani, Abderrazzak; El Ammari, Lahcen; Zriouil, Mohammed; Saadi, Mohamed","Disilver(I) tricobalt(II) hydrogenphosphate bis(phosphate), Ag~2~Co~3~(HPO~4~)(PO~4~)~2~","Acta Crystallographica Section E","2011","67","7","i41","","10.1107/S1600536811022598","","","0.71073","MoKα","","0.028","0.0275","","","0.0634","0.0637","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230800","13.6021","0.0009","6.8903","0.0005","6.1396","0.0004","90","","90","","90","","575.42","0.07","293","2","293","2","","","","","","","","3","I b a m","-I 2 2c","72","cerium(III) nitride chloride","Cerium(III) nitride trichloride","","- Ce2 Cl3 N -","- Ce2 Cl3 N -","- Ce8 Cl12 N4 -","4","0.25","MG2121","Schurz, Christian M.; Schleid, Thomas","A-type Ce~2~NCl~3~","Acta Crystallographica Section E","2011","67","7","i42","","10.1107/S1600536811023105","","","0.71069","MoKα","","0.0477","0.0348","","","0.0574","0.0608","","","","","","1.124","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230801","28.136","0.007","28.136","0.007","7.669","0.002","90","","90","","90","","6071","3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Di-μ-nitrito-κ^4^<i>O</i>:<i>O</i>-bis[bis(1-ethyl-1<i>H</i>- imidazole-κ<i>N</i>^3^)(nitrito-κ<i>O</i>)copper(II)]","","- C20 H32 Cu2 N12 O8 -","- C20 H32 Cu2 N12 O8 -","- C160 H256 Cu16 N96 O64 -","8","0.5","MW2004","Zhu, Run-Qiang","Di-μ-nitrito-κ^4^<i>O</i>:<i>O</i>-bis[bis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(nitrito-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2011","67","7","m869","","10.1107/S1600536811020745","","","0.71073","MoKα","","0.0535","0.0487","","","0.1234","0.1268","","","","","","1.151","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230802","24.095","0.006","12.037","0.003","6.8262","0.0018","90","","91.319","0.006","90","","1979.3","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1<i>H</i>-imidazol-3-ium]silver(I) trinitrate","","- C12 H14 Ag N11 O9 -","- C12 H14 Ag N11 O9 -","- C48 H56 Ag4 N44 O36 -","4","0.5","MW2006","Finch, Shelonda R.; Harper, Johnathan P.; Choudhury, Amitava; Sinn, Ekkehard; Collier, Harvest L.","Bis[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1<i>H</i>-imidazol-3-ium]silver(I) trinitrate","Acta Crystallographica Section E","2011","67","7","m909","","10.1107/S1600536811021799","","","0.71073","MoKα","","0.0637","0.0444","","","0.0954","0.1036","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230803","26.494","0.003","8.5545","0.0009","20.4426","0.0019","90","","109.09","0.003","90","","4378.4","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dimethyl hydrazine-1,2-dicarboxylate‒triphenylphosphine oxide (1/1)","","- C22 H23 N2 O5 P -","- C22 H23 N2 O5 P -","- C176 H184 N16 O40 P8 -","8","1","MW2011","Doboszewski, Bogdan; McGarrah, James; Nazarenko, Alexander Y.; da Paixao Soares, Fabio","Dimethyl hydrazine-1,2-dicarboxylate‒triphenylphosphine oxide (1/1)","Acta Crystallographica Section E","2011","67","7","o1565","","10.1107/S160053681101991X","","","0.71073","MoKα","","0.0497","0.0358","","","0.0908","0.0953","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230804","9.8456","0.0011","12.0753","0.0015","13.0039","0.0016","91.842","0.002","100.925","0.001","101.745","0.001","1482.2","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","Poly[[aquatris(μ-benzene-1,4-dicarboxylato)tricobalt(II)] methanol monosolvate monohydrate]","","- C25 H20 Co3 O15 -","- C25 H20 Co3 O15 -","- C50 H40 Co6 O30 -","2","1","NC2230","Zhou, Hu; Chu, Chao-Xia; Li, Yi-Zhi","Poly[[aquatris(μ-benzene-1,4-dicarboxylato)tricobalt(II)] methanol monosolvate monohydrate]","Acta Crystallographica Section E","2011","67","7","m841","m842","10.1107/S1600536811020009","","","0.71073","MoKα","","0.0697","0.0508","","","0.106","0.1104","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230805","7.3429","0.0015","7.922","0.0016","13.259","0.003","95.17","0.03","91.14","0.03","117.37","0.03","680.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Dichloridobis(3-chloropyridine-κ<i>N</i>)zinc","","- C10 H8 Cl4 N2 Zn -","- C10 H8 Cl4 N2 Zn -","- C20 H16 Cl8 N4 Zn2 -","2","1","NC2231","Liu, Yan-Hui; Xu, Lin; Dai, Dong-Mei; Zou, Jian-Wei","Dichloridobis(3-chloropyridine-κ<i>N</i>)zinc","Acta Crystallographica Section E","2011","67","7","m915","","10.1107/S1600536811020447","","","0.71073","MoKα","","0.0601","0.0421","","","0.1015","0.147","","","","","","1.164","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230806","12.343","0.002","52.066","0.006","6.942","0.001","90","","90","","90","","4461.3","1.1","293","2","293","2","","","","","","","","8","F d d 2","F 2 -2d","43","","Potassium <i>N</i>-bromo-2-chlorobenzenesulfonamidate sesquihydrate","","- C6 H7 Br Cl K N O3.5 S -","- C6 H7 Br Cl K N O3.5 S -","- C96 H112 Br16 Cl16 K16 N16 O56 S16 -","16","1","NC2232","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>-bromo-2-chlorobenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2011","67","7","m926","","10.1107/S1600536811022136","","","0.71073","MoKα","","0.0272","0.026","","","0.0668","0.0673","","","","","","1.057","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230807","20.017","0.004","13.352","0.002","13.19","0.005","90","","129.258","0.002","90","","2729.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5-Bromoisatin-3-thiosemicarbazone","1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazide acetonitrile monosolvate","","- C11 H10 Br N5 O S -","- C11 H10 Br N5 O S -","- C88 H80 Br8 N40 O8 S8 -","8","1","NC2233","Pederzolli, Fernanda Rosi Soares; Bresolin, Leandro; Carratu, Vanessa Santana; Locatelli, Aline; de Oliveira, Adriano Bof","1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazide acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","7","o1804","","10.1107/S1600536811023786","","","0.71073","MoKα","","0.0522","0.0391","","","0.1002","0.1048","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230808","11.4968","0.0009","6.799","0.0005","26.883","0.002","90","","90","","90","","2101.4","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Potassium <i>N</i>-chloro-<i>o</i>-toluenesulfonamidate monohydrate","","- C7 H9 Cl K N O3 S -","- C7 H9 Cl K N O3 S -","- C56 H72 Cl8 K8 N8 O24 S8 -","8","1","NC2234","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>-chloro-<i>o</i>-toluenesulfonamidate monohydrate","Acta Crystallographica Section E","2011","67","7","m961","","10.1107/S1600536811023555","","","0.71073","MoKα","","0.0472","0.0441","","","0.1206","0.1231","","","","","","0.923","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230809","8.2208","0.0003","10.4985","0.0004","11.9655","0.0005","108.814","0.002","92.346","0.002","107.5","0.002","921.33","0.06","296","2","296","2","101","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[7-Ethoxy-1-(prop-2-en-1-yl)-1<i>H</i>-indazol-4-yl]-4- methylbenzenesulfonamide","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C38 H42 N6 O6 S2 -","2","1","NG5164","Abbassi, Najat; Rakib, El Mostapha; Zouihri, Hafid","<i>N</i>-[7-Ethoxy-1-(prop-2-en-1-yl)-1<i>H</i>-indazol-4-yl]-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","7","o1561","","10.1107/S1600536811019465","","","0.71073","MoKα","","0.0465","0.0418","","","0.1116","0.1178","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230810","8.93","0.0005","8.3656","0.0005","9.8725","0.0006","90","","92.662","0.001","90","","736.73","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cyclohexane-1,1-dicarbonitrile","","- C8 H10 N2 -","- C8 H10 N2 -","- C32 H40 N8 -","4","1","NG5170","Sadikhova, Nurlana D.; Khalilov, Ali. N.; Gurbanov, Atash V.; Brito, Iván","Second monoclinic modification of cyclohexane-1,1-dicarbonitrile","Acta Crystallographica Section E","2011","67","7","o1801","","10.1107/S1600536811023592","","","0.71073","MoKα","","0.0547","0.0399","","","0.0972","0.1052","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230811","9.492","0.0015","10.9607","0.0017","15.05","0.002","90","","99.758","0.002","90","","1543.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-benzyl-4-hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1λ^6^,2-benzothiazine-3-carboxylate","","- C17 H15 N O5 S -","- C17 H15 N O5 S -","- C68 H60 N4 O20 S4 -","4","1","NG5172","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Shafiq, Muhammad; Asiri, Abdullah M.","Methyl 2-benzyl-4-hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1λ^6^,2-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2011","67","7","o1588","o1589","10.1107/S1600536811020289","","","0.71073","MoKα","","0.0477","0.0424","","","0.1134","0.1189","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230812","8.2611","0.0012","11.0124","0.0016","14.654","0.002","100.534","0.007","94.36","0.008","111.315","0.005","1206.2","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Aquabis(4-chloro-2-hydroxybenzoato-κ<i>O</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C26 H18 Cl2 N2 O7 Zn -","- C26 H18 Cl2 N2 O7 Zn -","- C52 H36 Cl4 N4 O14 Zn2 -","2","1","NG5174","Nie, Jing-Jing; Xu, Xun; Xu, Duan-Jun","Aquabis(4-chloro-2-hydroxybenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2011","67","7","m855","m856","10.1107/S1600536811020435","","","0.71073","MoKα","","0.0417","0.0343","","","0.0959","0.101","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230813","15.9797","0.0005","6.9432","0.0002","15.2266","0.0005","90","","94.65","0.003","90","","1683.83","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium 4,5-dichlorophthalate monohydrate","Bis(guanidinium) 4,5-dichlorophthalate monohydrate","","- C10 H16 Cl2 N6 O5 -","- C10 H16 Cl2 N6 O5 -","- C40 H64 Cl8 N24 O20 -","4","1","NG5176","Smith, Graham; Wermuth, Urs D.","Bis(guanidinium) 4,5-dichlorophthalate monohydrate","Acta Crystallographica Section E","2011","67","7","o1645","","10.1107/S1600536811021192","","","0.71073","MoKα","","0.0525","0.0385","","","0.1008","0.1047","","","","","","1.158","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230814","10.0512","0.0008","12.0809","0.001","17.4872","0.0014","90","","105.631","0.001","90","","2044.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[zinc(II)-bis[μ~2~-3-(3-pyridyl)benzoato]- κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>]","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","1","NG5177","Tang, Long; Wu, Ya-Pan; Fu, Feng; Hou, Xiang-Yang; Wei, Qing-Bo","<i>catena</i>-Poly[zinc(II)-bis[μ~2~-3-(3-pyridyl)benzoato]-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section E","2011","67","7","m894","","10.1107/S1600536811021404","","","0.71073","MoKα","","0.0842","0.0415","","","0.0803","0.0947","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230815","6.6825","0.0012","6.735","0.0012","9.3089","0.0016","99.952","0.002","108.564","0.002","101.542","0.002","376.3","0.12","105","2","105","2","","","","","","","","5","P -1","-P 1","2","N,N'-di-trifluoroacetyl-4,4'-bipiperidine","1,1'-(4,4'-Bipiperidine-1,1'-diyl)bis(2,2,2-trifluoroethanone)","","- C14 H18 F6 N2 O2 -","- C14 H18 F6 N2 O2 -","- C14 H18 F6 N2 O2 -","1","0.5","NG5179","Yadav, Vitthal N.; Hansen, Tore; Görbitz, Carl Henrik","1,1'-(4,4'-Bipiperidine-1,1'-diyl)bis(2,2,2-trifluoroethanone)","Acta Crystallographica Section E","2011","67","7","o1691","","10.1107/S1600536811022434","","","0.71073","MoKα","","0.0311","0.029","","","0.0779","0.0795","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230816","12.6084","0.0006","14.3751","0.0007","17.4021","0.0009","90","","110.057","0.001","90","","2962.8","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1''-Benzyl-1'-methyl-4'-(naphthalen-1-yl)naphthalene-2-spiro-3'-pyrrolidine- 2'-spiro-3''-indoline-1,2''-dione","","- C38 H32 N2 O2 -","- C38 H32 N2 O2 -","- C152 H128 N8 O8 -","4","1","NG5180","Selvanayagam, S.; Sridhar, B.; Saravanan, P.; Raghunathan, R.","1''-Benzyl-1'-methyl-4'-(naphthalen-1-yl)naphthalene-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione","Acta Crystallographica Section E","2011","67","7","o1678","o1679","10.1107/S1600536811021908","","","0.71073","MoKα","","0.0992","0.0648","","","0.1373","0.1491","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230817","7.9021","0.0008","19.166","0.002","11.0987","0.0009","90","","122.072","0.005","90","","1424.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Dichloro-3-nitropyridine","","- C5 H2 Cl2 N2 O2 -","- C5 H2 Cl2 N2 O2 -","- C40 H16 Cl16 N16 O16 -","8","2","NG5183","Fun, Hoong-Kun; Arshad, Suhana; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","2,6-Dichloro-3-nitropyridine","Acta Crystallographica Section E","2011","67","7","o1785","","10.1107/S1600536811023683","","","0.71073","MoKα","","0.1418","0.0667","","","0.1466","0.1802","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230818","7.8519","0.0005","10.5284","0.0006","8.9121","0.0004","90","","91.77","0.005","90","","736.39","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diyl bis(pyridine-4-carboxylate)","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","NG5184","Muthukumaran, J.; Karthikeyan, S.; Satheesh, G.; Manimaran, Bala.; Krishna, R.","Butane-1,4-diyl bis(pyridine-4-carboxylate)","Acta Crystallographica Section E","2011","67","7","o1803","","10.1107/S1600536811023646","","","0.71073","MoKα","","0.0742","0.0389","","","0.0942","0.1023","","","","","","0.868","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230819","11.2417","0.0018","8.2532","0.001","26.57","0.004","90","","90","","90","","2465.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-4-(2-Naphthylamino)pent-3-en-2-one","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","NG5187","Harrad, Mohamed Anoir; Boualy, Brahim; Oudahmane, Abdelghani; Avignant, Daniel; Rizzoli, Corrado","(<i>Z</i>)-4-(2-Naphthylamino)pent-3-en-2-one","Acta Crystallographica Section E","2011","67","7","o1818","","10.1107/S1600536811024494","","","0.71073","MoKα","","0.1114","0.0498","","","0.1218","0.1419","","","","","","0.935","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230820","8.168","0.0002","16.4046","0.0004","28.8651","0.0007","90","","90","","90","","3867.71","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 2-{[3-(2-methoxybenzyl)thiophen-2-yl]methylidene}malonate","","- C20 H22 O5 S -","- C20 H22 O5 S -","- C160 H176 O40 S8 -","8","1","NK2101","Ranjith, S.; Sakthi Murugesan, K.; Subbiah Pandi, A.; Dhayalan, V.; Mohana Krishnan, A. K.","Diethyl 2-{[3-(2-methoxybenzyl)thiophen-2-yl]methylidene}malonate","Acta Crystallographica Section E","2011","67","7","o1688","","10.1107/S1600536811022525","","","0.71073","MoKα","","0.0613","0.0424","","","0.1317","0.1449","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230821","34.224","0.006","7.4629","0.0014","15.131","0.003","90","","90","","90","","3864.6","1.3","100","","100","","","","","","","","","2","C m c a","-C 2ac 2","64","","[6]Cyclo-2,7-naphthylene","","- C60 H36 -","- C60 H36 -","- C240 H144 -","4","","NR2007","Nakanishi, Waka; Xue, Jing Yang; Yoshioka, Tomoaki; Isobe, Hiroyuki","[6]Cyclo-2,7-naphthylene: a redetermination","Acta Crystallographica Section E","2011","67","7","o1762","o1763","10.1107/S1600536811023427","","","0.71073","MoKα","","0.0855","0.0664","","","0.1605","0.1812","","","","","","1.056","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230822","9.6711","0.0003","11.7849","0.0003","14.3863","0.0004","90","","122.276","0.002","90","","1386.3","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[dimethylammonium [aquadi-μ~2~-oxalato-samarate(III)] trihydrate]","","- C6 H16 N O12 Sm -","- C6 H16 N O12 Sm -","- C24 H64 N4 O48 Sm4 -","4","1","OM2429","Lv, Yao-Kang; Gan, Li-Hua; Liu, Ming-Xian; Xiong, Wei","Poly[dimethylammonium [aquadi-μ~2~-oxalato-samarate(III)] trihydrate]","Acta Crystallographica Section E","2011","67","7","m836","","10.1107/S1600536811020058","","","0.71073","MoKα","","0.034","0.0264","","","0.0579","0.0611","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230823","9.265","0.0013","16.402","0.002","22.74","0.003","90","","90","","90","","3455.7","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[3-(Benzenesulfonamido)propyl]benzenesulfonamide","","- C15 H18 N2 O4 S2 -","- C15 H18 N2 O4 S2 -","- C120 H144 N16 O32 S16 -","8","1","OM2431","Sheikh, Tahir Ali; Khan, Islam Ullah; Harrison, William T. A.; Ejaz","<i>N</i>-[3-(Benzenesulfonamido)propyl]benzenesulfonamide","Acta Crystallographica Section E","2011","67","7","o1737","","10.1107/S1600536811020150","","","0.71073","MoKα","","0.1514","0.0686","","","0.1534","0.1808","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230824","10.6715","0.0002","8.5385","0.0001","12.3988","0.0002","90","","109.124","0.001","90","","1067.41","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)copper(II)","","- C24 H20 Cu N2 O6 -","- C24 H20 Cu N2 O6 -","- C48 H40 Cu2 N4 O12 -","2","0.5","OM2435","Ozair, Lailatun Nazirah; Abdullah, Norbani; Lo, Kong Mun","Bis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2011","67","7","m952","","10.1107/S1600536811023038","","","0.71073","MoKα","","0.0306","0.0263","","","0.0643","0.0664","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230825","7.5742","0.0018","12.191","0.003","13.08","0.003","88.643","0.004","84.809","0.004","78.381","0.004","1178.1","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis(4-<i>tert</i>-butylbenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C52 H64 N4 O4 -","2","1","OM2436","Li, Gong-Chun; Wang, Hong-Sheng; Zhu, Feng-Xiang; Niu, Yu-Jiao","1,3-Bis(4-<i>tert</i>-butylbenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","7","o1608","","10.1107/S160053681102054X","","","0.71073","MoKα","","0.0923","0.0563","","","0.1621","0.1981","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230826","10.845","0.007","12.771","0.008","10.856","0.007","90","","96.683","0.007","90","","1493.4","1.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-<i>N</i>'-(3,5-Dichloro-2-hydroxybenzylidene)-2- methoxybenzohydrazide","","- C15 H12 Cl2 N2 O3 -","- C15 H12 Cl2 N2 O3 -","- C60 H48 Cl8 N8 O12 -","4","1","OM2438","Li, Xiao-Yan","(<i>E</i>)-<i>N</i>'-(3,5-Dichloro-2-hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2011","67","7","o1798","","10.1107/S160053681102366X","","","0.71073","MoKα","","0.0936","0.0582","","","0.1139","0.1325","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230827","8.0714","0.0002","10.4571","0.0003","21.5816","0.0008","90","","90","","90","","1821.56","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-4,9-dimethyl-13-[(pyrrolidin-1-yl)methyl]-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C76 H116 N4 O20 -","4","1","OM2443","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed","10α-Hydroxy-4,9-dimethyl-13-[(pyrrolidin-1-yl)methyl]-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2011","67","7","o1842","o1843","10.1107/S1600536811024688","","","0.71073","MoKα","","0.0572","0.0383","","","0.0881","0.0983","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230828","16.9282","0.0019","10.6239","0.0012","16.759","0.0018","90","","109.12","0.002","90","","2847.7","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2-[(Benzylphenylphosphanyl-κ<i>P</i>)methyl]phenyl- κ<i>C</i>^1^}iodidobis(trimethylphosphane)cobalt(II)","","- C26 H36 Co I P3 -","- C26 H36 Co I P3 -","- C104 H144 Co4 I4 P12 -","4","1","PK2321","Jia, Jiong; Wang, Chenggen; Liu, Nazhen; Li, Xiaoyan","{2-[(Benzylphenylphosphanyl-κ<i>P</i>)methyl]phenyl-κ<i>C</i>^1^}iodidobis(trimethylphosphane)cobalt(II)","Acta Crystallographica Section E","2011","67","7","m991","","10.1107/S1600536811022288","","","0.71073","MoKα","","0.0831","0.0455","","","0.1069","0.1262","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230829","9.6277","0.0004","15.976","0.0006","9.9738","0.0004","90","","109.314","0.005","90","","1447.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-methoxy-1<i>H</i>-indol-3-yl)propionate","","- C14 H14 F3 N O4 -","- C14 H14 F3 N O4 -","- C56 H56 F12 N4 O16 -","4","1","PK2322","Kadirova, Zukhra; Tolipov, Samat; Fedorovskiy, Oleg; Bakhtiyar, Ibragimov; Parpiev, Nusrat","Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-methoxy-1<i>H</i>-indol-3-yl)propionate","Acta Crystallographica Section E","2011","67","7","o1619","","10.1107/S1600536811021489","","","1.54178","CuKα","","0.0505","0.0398","","","0.1077","0.1158","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230830","6.9972","0.0012","14.506","0.003","10.2828","0.0017","90","","98.413","0.004","90","","1032.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Diazido{(<i>S</i>)-1-phenyl-<i>N</i>,<i>N</i>-bis[(2- pyridyl)methyl]ethanamine}copper(II)","","- C20 H21 Cu N9 -","- C20 H21 Cu N9 -","- C40 H42 Cu2 N18 -","2","1","PK2326","Rowthu, Sankara Rao; Shin, Jong Won; Kim, Seung-Hui; Kim, Jong Jin; Min, Kil Sik","Diazido{(<i>S</i>)-1-phenyl-<i>N</i>,<i>N</i>-bis[(2-pyridyl)methyl]ethanamine}copper(II)","Acta Crystallographica Section E","2011","67","7","m873","m874","10.1107/S1600536811021234","","","0.71073","MoKα","","0.1135","0.0584","","","0.0819","0.1152","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230831","11.8328","0.0011","6.0084","0.0004","15.2205","0.0015","90","","96.705","0.004","90","","1074.72","0.16","150","1","150","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>S</i>,4<i>R</i>)-7-<i>tert</i>-Butoxybicyclo[2.2.1]hept-5-en-2-yl (2<i>S</i>)-2-(6-methoxynaphthalen-2-yl)propanoate","","- C25 H30 O4 -","- C25 H30 O4 -","- C50 H60 O8 -","2","1","PK2333","Lough, Alan J.; Petrone, David A.; Tam, William","(1<i>S</i>,2<i>S</i>,4<i>R</i>)-7-<i>tert</i>-Butoxybicyclo[2.2.1]hept-5-en-2-yl (2<i>S</i>)-2-(6-methoxynaphthalen-2-yl)propanoate","Acta Crystallographica Section E","2011","67","7","o1848","","10.1107/S1600536811024238","","","0.71073","MoKα","","0.071","0.0478","","","0.1098","0.1223","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230832","12.378","0.003","11.657","0.002","17.525","0.004","90","","91.43","0.03","90","","2527.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Dichloro-<i>N</i>-phenylbenzamide","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C104 H72 Cl16 N8 O8 -","8","2","PV2414","Liu, Hui; Xu, Ning; Yang, Bo; Wang, Wei; Han, Ping-fang","2,6-Dichloro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2011","67","7","o1738","","10.1107/S1600536811019222","","","0.71073","MoKα","","0.1413","0.0673","","","0.1415","0.1683","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230833","11.0662","0.0017","11.3149","0.0018","11.9609","0.0019","90","","90","","90","","1497.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-[1-(4-Bromophenyl)-1-hydroxyethyl]-5,5-dimethyl-1,3,2- dioxaphosphinane 2-oxide","","- C13 H18 Br O4 P -","- C13 H18 Br O4 P -","- C52 H72 Br4 O16 P4 -","4","1","QK2003","Wang, Chubei; Peng, Hao; He, Hongwu","(<i>S</i>)-2-[1-(4-Bromophenyl)-1-hydroxyethyl]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","Acta Crystallographica Section E","2011","67","7","o1739","","10.1107/S1600536811020587","","","0.71073","MoKα","","0.06","0.0451","","","0.0994","0.1049","","","","","","0.927","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230834","10.1434","0.0004","17.1412","0.0007","25.525","0.0011","92.609","0.001","96.864","0.001","104.323","0.001","4256.2","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","<i>trans</i>,<i>trans</i>-[μ-(<i>m</i>-phenylene)bis(ethyne-1,2- diyl)]bis[chlorido(1,4,8,11-tetraazacyclotetradecane)cobalt(III)]‒ <i>trans</i>,<i>trans</i>-[μ-(5-bromo-<i>m</i>-phenylene)bis(ethyne-1,2- diyl)]bis[chlorido(1,4,8,11-tetraazacyclotetradecane)cobalt(III)]‒ tetraphenylborate‒acetone (0.88/0.12/2/4)","","- C91.75 H115.88 B2 Br0.12 Cl2 Co2 N8 O4 -","- C91.7542 H115.877 B2 Br0.1229 Cl2 Co2 N8 O4 -","- C183.508 H231.754 B4 Br0.2458 Cl4 Co4 N16 O8 -","2","1","QM2008","Hoffert, Wesley A.; Shores, Matthew P.","Crystallographic coincidence of two bridging species in a dinuclear Co^III^ ethynylbenzene complex","Acta Crystallographica Section E","2011","67","7","m853","m854","10.1107/S1600536811019969","","","0.71073","MoKα","","0.0538","0.0368","","","0.0883","0.0965","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230835","6.971","0.003","15.716","0.007","10.484","0.004","90","","93.736","0.008","90","","1146.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethyl-1<i>H</i>-imidazol-3-ium hemioxalate oxalic acid monohydrate","","- C8 H13 N2 O7 -","- C8 H13 N2 O7 -","- C32 H52 N8 O28 -","4","1","QM2009","Zhu, Run-Qiang","2-Ethyl-1<i>H</i>-imidazol-3-ium hemioxalate oxalic acid monohydrate","Acta Crystallographica Section E","2011","67","7","o1627","","10.1107/S1600536811020733","","","0.71073","MoKα","","0.058","0.0461","","","0.1072","0.1147","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230836","11.513","0.002","12.945","0.003","14.302","0.003","114.95","0.03","94.27","0.03","93.84","0.03","1915.8","0.9","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-indole-2- carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium‒2,2'-bipyridine‒water (1/0.5/2)","","- C86 H72 Cd2 N14 O12 -","- C86 H72 Cd2 N14 O12 -","- C86 H72 Cd2 N14 O12 -","1","0.5","RK2274","Li, Yun-Xia; Zhang, Bi-Song; Zheng, Miao","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-indole-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium‒2,2'-bipyridine‒water (1/0.5/2)","Acta Crystallographica Section E","2011","67","7","m879","m880","10.1107/S1600536811021064","","","0.71073","MoKα","","0.0964","0.0443","","","0.0678","0.1057","","","","","","1.17","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2230837","7.1134","0.0002","10.926","0.0003","11.5291","0.0003","90","","98.485","0.002","90","","886.25","0.04","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(5-Acetyl-2-hydroxyphenyl)ethanone","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","RK2275","Hübscher, Jörg; Izotova, Lidiya; Talipov, Samat; Eissmann, Frank; Weber, Edwin","1-(5-Acetyl-2-hydroxyphenyl)ethanone","Acta Crystallographica Section E","2011","67","7","o1622","","10.1107/S1600536811020423","","","0.71073","MoKα","","0.0482","0.0413","","","0.1181","0.1231","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230838","8.5344","0.0003","7.698","0.0003","24.6017","0.0008","90","","98.234","0.002","90","","1599.62","0.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-3-<i>p</i>-tolyl-3,3a,4,9b-tetrahydro-1<i>H</i>-chromeno[4,3-<i>c</i>] isoxazole-3a-carbonitrile","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","RK2276","Gangadharan, Rajeswari; Sethusankar, K.; Murugan, Gandhi; Bakthadoss, Manickam","1-Methyl-3-<i>p</i>-tolyl-3,3a,4,9b-tetrahydro-1<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2011","67","7","o1695","","10.1107/S1600536811021829","","","0.71073","MoKα","","0.0646","0.0424","","","0.1064","0.1184","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230839","6.2459","0.0007","11.4629","0.0011","11.84","0.0013","91.932","0.008","95.589","0.009","104.747","0.009","814.37","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(4-Nitrophenyl)(1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-3- yl)methanol monohydrate","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C36 H38 N6 O8 -","2","1","RK2278","Elmuradov, Burkhon Zh.; Makhmadiyarova, Charoskhon E.; Turgunov, Kambarali K.; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusnutdin M.","(4-Nitrophenyl)(1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-3-yl)methanol monohydrate","Acta Crystallographica Section E","2011","67","7","o1680","","10.1107/S1600536811021775","","","1.5418","CuKα","","0.0656","0.0442","","","0.1129","0.1244","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230840","6.632","0.002","15.301","0.004","20.087","0.005","90","","90","","90","","2038.4","1","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[(1,10-phenanthroline)(μ-L-tartrato)zinc] hexahydrate]","","- C16 H24 N2 O12 Zn -","- C16 H24 N2 O12 Zn -","- C64 H96 N8 O48 Zn4 -","4","1","RK2279","Dong, Gui-Ying; He, Cui-Hong; Liu, Tong-Fei; Cui, Guang-Hua; Deng, Xiao-Chen","Poly[[(1,10-phenanthroline)(μ-<small>L</small>-tartrato)zinc] hexahydrate]","Acta Crystallographica Section E","2011","67","7","m1005","m1006","10.1107/S1600536811024780","","","0.71073","MoKα","","0.0314","0.0274","","","0.0683","0.0709","","","","","","0.964","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230841","14.818","0.007","10.291","0.005","18.201","0.009","90","","112.599","0.012","90","","2562","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorobutanoyl)-<i>N</i>'-(2-fluorophenyl)thiourea","","- C11 H12 Cl F N2 O S -","- C11 H12 Cl F N2 O S -","- C88 H96 Cl8 F8 N16 O8 S8 -","8","2","RK2280","Yusof, M. Sukeri M.; Embong, Nur Farhana; Othman, Eliyanti A.; Yamin, Bohari M.","<i>N</i>-(4-Chlorobutanoyl)-<i>N</i>'-(2-fluorophenyl)thiourea","Acta Crystallographica Section E","2011","67","7","o1849","","10.1107/S1600536811024743","","","0.71073","MoKα","","0.1409","0.0631","","","0.1117","0.1377","","","","","","0.893","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230842","8.0971","0.0016","10.426","0.002","8.5723","0.0017","90","","107.02","0.03","90","","692","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diformatocopper(II)]-μ-1,4-bis(imidazol-1-yl)benzene]","","- C14 H12 Cu N4 O4 -","- C14 H12 Cu N4 O4 -","- C28 H24 Cu2 N8 O8 -","2","0.5","RN2086","Chen, Bang","<i>catena</i>-Poly[[diformatocopper(II)]-μ-1,4-bis(imidazol-1-yl)benzene]","Acta Crystallographica Section E","2011","67","7","m996","","10.1107/S1600536811024019","","","0.71073","MoKα","","0.0269","0.0246","","","0.0739","0.075","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230843","12.9233","0.0003","6.5678","0.0002","10.6629","0.0003","90","","90","","90","","905.04","0.04","296","2","296","2","","","","","","","","5","I m a 2","I 2 -2a","46","","Disilver(I) trinickel(II) hydrogenphosphate bis(phosphate)","","- Ag2 H Ni3 O12 P3 -","- Ag2 H Ni3 O12 P3 -","- Ag8 H4 Ni12 O48 P12 -","4","0.5","RU2005","Assani, Abderrazzak; El Ammari, Lahcen; Zriouil, Mohammed; Saadi, Mohamed","Disilver(I) trinickel(II) hydrogenphosphate bis(phosphate), Ag~2~Ni~3~(HPO~4~)(PO~4~)~2~","Acta Crystallographica Section E","2011","67","7","i40","","10.1107/S1600536811021167","","","0.71073","MoKα","","0.0249","0.0239","","","0.0591","0.0596","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230844","18.593","0.002","12.1167","0.0013","30.72","0.003","90","","102.721","0.002","90","","6750.9","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{Bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]borato}{tris[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]borato}cobalt(II)","","- C25 H23 B2 Co F15 N10 -","- C25 H23 B2 Co F15 N10 -","- C200 H184 B16 Co8 F120 N80 -","8","1","RZ2601","Stibrany, Robert T.; Potenza, Joseph A.","A second monoclinic polymorph of {bis[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]borato}{tris[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B—H···Co agostic interaction","Acta Crystallographica Section E","2011","67","7","m911","m912","10.1107/S1600536811021994","","","0.71073","MoKα","","0.0816","0.0588","","","0.155","0.1674","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230845","11.2","0.002","6.728","0.001","28.304","0.003","90","","100.94","0.01","90","","2094","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Sodium <i>N</i>-bromo-2-chlorobenzenesulfonamidate sesquihydrate","","- C6 H7 Br Cl N Na O3.5 S -","- C6 H7 Br Cl N Na O3.5 S -","- C48 H56 Br8 Cl8 N8 Na8 O28 S8 -","8","1","RZ2602","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Sodium <i>N</i>-bromo-2-chlorobenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2011","67","7","m870","","10.1107/S160053681102071X","","","0.71073","MoKα","","0.0519","0.0485","","","0.1271","0.128","","","","","","1.251","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230846","11.0483","0.0003","5.9079","0.0001","33.855","0.0008","90","","108.802","0.001","90","","2091.87","0.08","100","0.1","100","1","","","","","","","","4","P 1 c 1","P -2yc","7","","2-(4-Bromophenyl)-2-oxoethyl 4-bromobenzoate","","- C15 H10 Br2 O3 -","- C15 H10 Br2 O3 -","- C90 H60 Br12 O18 -","6","3","RZ2603","Fun, Hoong-Kun; Arshad, Suhana; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 4-bromobenzoate","Acta Crystallographica Section E","2011","67","7","o1582","o1583","10.1107/S1600536811020654","","","0.71073","MoKα","","0.0759","0.0473","","","0.119","0.1395","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230847","12.7003","0.0012","6.899","0.0007","13.3484","0.0013","90","","91.668","0.002","90","","1169.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C48 H44 F12 N8 O4 -","4","1","RZ2604","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Kumar, Rajesha; Isloor, Arun M.; Shivananda, K. N.","4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile","Acta Crystallographica Section E","2011","67","7","o1600","","10.1107/S1600536811020666","","","0.71073","MoKα","","0.0645","0.0444","","","0.1182","0.1318","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230848","12.6118","0.0003","28.2378","0.0007","3.8898","0.0001","90","","90","","90","","1385.27","0.06","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","<i>para</i>-bromobenzoic acid anhydride","4-Bromobenzoyl 4-bromobenzoate monohydrate","","- C14 H10 Br2 O4 -","- C14 H10 Br2 O4 -","- C56 H40 Br8 O16 -","4","0.5","RZ2605","Schmitt, Bonell; Gerber, Thomas; Hosten, Eric; Betz, Richard","4-Bromobenzoyl 4-bromobenzoate monohydrate","Acta Crystallographica Section E","2011","67","7","o1662","","10.1107/S1600536811022264","","","0.71073","MoKα","","0.0493","0.0425","","","0.0907","0.0929","","","","","","1.299","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230849","17.1061","0.0011","5.3062","0.0004","24.0376","0.0016","90","","101.502","0.001","90","","2138","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Bromophenyl)-2-oxoethyl 4-chlorobenzoate","","- C15 H10 Br Cl O3 -","- C15 H10 Br Cl O3 -","- C90 H60 Br6 Cl6 O18 -","6","3","RZ2606","Fun, Hoong-Kun; Yeap, Chin Sing; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 4-chlorobenzoate","Acta Crystallographica Section E","2011","67","7","o1723","","10.1107/S1600536811022963","","","0.71073","MoKα","","0.0757","0.0449","","","0.1264","0.1416","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230850","13.1016","0.0002","10.2963","0.0002","16.8015","0.0003","90","","98.234","0.001","90","","2243.12","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-4-hydroxypiperidinium 2-(2-phenylethyl)benzoate","","- C26 H28 Cl N O3 -","- C26 H28 Cl N O3 -","- C104 H112 Cl4 N4 O12 -","4","1","RZ2607","Fun, Hoong-Kun; Hemamalini, Madhukar; Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.","4-(4-Chlorophenyl)-4-hydroxypiperidinium 2-(2-phenylethyl)benzoate","Acta Crystallographica Section E","2011","67","7","o1726","","10.1107/S1600536811023051","","","0.71073","MoKα","","0.0545","0.0423","","","0.1109","0.1198","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230851","15.0129","0.0018","8.8092","0.0011","14.0135","0.0017","90","","91.506","0.002","90","","1852.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Melitraceninium chloride","3-(10,10-dimethylanthracen-9-ylidene)-<i>N</i>,<i>N</i>,<i>N</i>- trimethylpropanaminium chloride","","- C21 H26 Cl N -","- C21 H26 Cl N -","- C84 H104 Cl4 N4 -","4","1","RZ2608","Fun, Hoong-Kun; Hemamalini, Madhukar; Siddegowda, M. S.; Yathirajan, H. S.; Narayana, B.","Melitracenium chloride","Acta Crystallographica Section E","2011","67","7","o1725","","10.1107/S1600536811022987","","","0.71073","MoKα","","0.0902","0.0629","","","0.1924","0.2117","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230852","8.0387","0.0008","7.6981","0.0008","22.2686","0.0019","90","","101.828","0.003","90","","1348.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-(2,4-Dichlorobenzylidene)amino]isoindoline-1,3-dione","","- C15 H8 Cl2 N2 O2 -","- C15 H8 Cl2 N2 O2 -","- C60 H32 Cl8 N8 O8 -","4","1","RZ2609","Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun","2-[(<i>E</i>)-(2,4-Dichlorobenzylidene)amino]isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","7","o1712","","10.1107/S1600536811023063","","","0.71073","MoKα","","0.075","0.0464","","","0.0985","0.1131","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230853","9.3685","0.0012","9.8651","0.0013","9.9103","0.0015","109.779","0.002","96.34","0.001","97.204","0.001","843.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(bicyclo[2.2.1]hept-5-ene-2-carboxylato)- 1κ^2^<i>O</i>,<i>O</i>';4κ^2^<i>O</i>,<i>O</i>'-di-μ~2~-chlorido- 1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-octamethyl- 1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxido- 1:2:3κ^3^<i>O</i>;2:3:4κ^3^<i>O</i>-tetratin(IV)","","- C24 H42 Cl2 O6 Sn4 -","- C24 H42 Cl2 O6 Sn4 -","- C24 H42 Cl2 O6 Sn4 -","1","0.5","RZ2611","Ren, Yupo","Bis(bicyclo[2.2.1]hept-5-ene-2-carboxylato)-1κ^2^<i>O</i>,<i>O</i>';4κ^2^<i>O</i>,<i>O</i>'-di-μ~2~-chlorido-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-octamethyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxido-1:2:3κ^3^<i>O</i>;2:3:4κ^3^<i>O</i>-tetratin(IV)","Acta Crystallographica Section E","2011","67","7","m984","","10.1107/S1600536811023452","","","0.71073","MoKα","","0.0831","0.0467","","","0.1097","0.1296","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230854","15.419","0.005","9.242","0.003","21.295","0.009","90","","109.924","0.005","90","","2853","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis(<i>N</i>'-isopropylidenebenzohydrazidato- κ^2^<i>N</i>',<i>O</i>)bis(pyridine-κ<i>N</i>)nickel(II)","","- C30 H32 N6 Ni O2 -","- C30 H32 N6 Ni O2 -","- C120 H128 N24 Ni4 O8 -","4","0.5","RZ2613","Zheng, Chang-Zheng; Wang, Liang; Liu, Juan","<i>trans</i>-Bis(<i>N</i>'-isopropylidenebenzohydrazidato-κ^2^<i>N</i>',<i>O</i>)bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2011","67","7","m978","","10.1107/S1600536811024214","","","0.71073","MoKα","","0.032","0.0284","","","0.0746","0.0775","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230855","21.874","0.004","11.753","0.002","8.3618","0.0017","90","","100.63","0.03","90","","2112.8","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Morpholin-4-ium 4-methoxybenzoate 4-methoxybenzoic acid monohydrate","","- C20 H27 N O8 -","- C20 H27 N O8 -","- C80 H108 N4 O32 -","4","1","RZ2614","Feng, Li-Ping; Zhao, Liang","Morpholin-4-ium 4-methoxybenzoate 4-methoxybenzoic acid monohydrate","Acta Crystallographica Section E","2011","67","7","o1759","","10.1107/S1600536811023361","","","0.71073","MoKα","","0.1369","0.0634","","","0.132","0.1621","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230856","8.1027","0.0002","9.3157","0.0002","12.9634","0.0003","73.63","0.001","74.713","0.001","74.82","0.001","886.83","0.04","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-3-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1-phenylprop-2-en-1-one","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","RZ2615","Fun, Hoong-Kun; Hemamalini, Madhukar; Malladi, Shridhar; Poojari, Pradeep; Isloor, Arun M.","(2<i>E</i>)-3-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2011","67","7","o1745","o1746","10.1107/S1600536811023282","","","0.71073","MoKα","","0.0529","0.0444","","","0.1225","0.1308","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230857","9.878","0.004","11.167","0.004","12.201","0.004","90","","90","","90","","1345.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","","- C7 H15 Cl5 Cu N2 -","- C7 H15 Cl5 Cu N2 -","- C28 H60 Cl20 Cu4 N8 -","4","1","SI2354","Rong, Tao","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","Acta Crystallographica Section E","2011","67","7","m889","","10.1107/S1600536811020782","","","0.71073","MoKα","","0.0241","0.0223","","","0.054","0.0545","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230858","7.2682","0.0003","9.3205","0.0002","12.4779","0.0003","74.199","0.002","88.092","0.003","69.377","0.003","759.39","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","DHMPS","Ethyl 6-methyl-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-1,2,3,4- tetrahydropyrimidine-5-carboxylate","","- C15 H15 F3 N2 O2 S -","- C15 H15 F3 N2 O2 S -","- C30 H30 F6 N4 O4 S2 -","2","1","SI2356","Nayak, Susanta K.; Venugopala, K. N.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.; Row, T. N. Guru","Ethyl 6-methyl-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2011","67","7","o1559","o1560","10.1107/S1600536811019441","","","0.71073","MoKα","","0.0365","0.0324","","","0.0827","0.0849","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230859","7.7275","0.0011","9.4705","0.0013","16.729","0.002","90","","101.416","0.002","90","","1200.1","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[di-μ-chlorido-μ-(1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin- 9-one-κ^2^<i>N</i>:<i>O</i>)-mercury(II)]","","- C11 H10 Cl2 Hg N2 O -","- C11 H10 Cl2 Hg N2 O -","- C44 H40 Cl8 Hg4 N8 O4 -","4","1","SI2358","Turgunov, Kambarali K.; Wang, Yutian; Englert, Ulli; Shakhidoyatov, Khusnutdin M.","Poly[di-μ-chlorido-μ-(1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-9-one-κ^2^<i>N</i>:<i>O</i>)-mercury(II)]","Acta Crystallographica Section E","2011","67","7","m953","m954","10.1107/S1600536811022471","","","0.71073","MoKα","","0.0505","0.0422","","","0.0954","0.0986","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230860","7.79","0.003","17.125","0.006","8.811","0.004","90","","110.274","0.009","90","","1102.6","0.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-3-methyl-1<i>H</i>-indole","","- C15 H12 F N -","- C15 H12 F N -","- C60 H48 F4 N4 -","4","1","SI2359","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2-(4-Fluorophenyl)-3-methyl-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","7","o1606","","10.1107/S1600536811021325","","","0.71073","MoKα","","0.0863","0.065","","","0.1704","0.1947","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230861","11.3959","0.0014","11.4503","0.0014","6.1601","0.0007","90","","104.197","0.002","90","","779.26","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-Dicarboxypyridinium fluoride","","- C7 H6 F N O4 -","- C7 H6 F N O4 -","- C28 H24 F4 N4 O16 -","4","0.5","SI2360","Ng, Seik Weng; Tong, Yi-Ping","3,5-Dicarboxypyridinium fluoride","Acta Crystallographica Section E","2011","67","7","o1663","","10.1107/S1600536811021593","","","0.71073","MoKα","","0.0401","0.0342","","","0.1006","0.1052","","","","","","1.114","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230862","5.2729","0.0003","20.1349","0.0011","7.8683","0.0004","90","","95.171","0.002","90","","831.97","0.08","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","thiomorpholine-1,1-dioxide diazoacetamide","2-Diazo-1-(1,1-dioxothiomorpholin-4-yl)ethanone","","- C6 H9 N3 O3 S -","- C6 H9 N3 O3 S -","- C24 H36 N12 O12 S4 -","4","1","SI2361","Kaupang, Åsmund; Görbitz, Carl Henrik; Hansen, Tore","2-Diazo-1-(1,1-dioxothiomorpholin-4-yl)ethanone","Acta Crystallographica Section E","2011","67","7","o1844","o1845","10.1107/S1600536811023774","","","0.71073","MoKα","","0.0758","0.056","","","0.1548","0.1651","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230863","6.2645","0.0003","9.7356","0.0007","17.0425","0.001","90","","91.0672","0.0018","90","","1039.22","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[[diaqua-μ~3~-citrato-praseodymium(III)] monohydrate]","","- C6 H11 O10 Pr -","- C6 H11 O10 Pr -","- C24 H44 O40 Pr4 -","4","1","SI2362","Han, Li-Jun; Deng, Yuan-Fu; Ng, Seik Weng","Poly[[diaqua-μ~3~-citrato-praseodymium(III)] monohydrate]","Acta Crystallographica Section E","2011","67","7","m981","","10.1107/S1600536811023804","","","0.71073","MoKα","","0.0306","0.0255","","","0.0485","0.0495","","","","","","1.182","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230864","10.959","0.002","18.037","0.004","9.333","0.0019","90","","90","","90","","1844.8","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-[(2-ethoxy)-2-oxo-ethyl]-4-piperidino-1,8-naphthalimide","Ethyl 2-[1,3-dioxo-6-(piperidin-1-yl)-2,3-dihydro- 1<i>H</i>-benz[<i>de</i>]isoquinolin-2-yl]acetate","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","SJ5150","Xia, Song; Zheng, Chun-Ling; He, Fei-Fei; Shi, Ya-Bin; Wang, Hai-Bo","Ethyl 2-[1,3-dioxo-6-(piperidin-1-yl)-2,3-dihydro-1<i>H</i>-benz[<i>de</i>]isoquinolin-2-yl]acetate","Acta Crystallographica Section E","2011","67","7","o1717","","10.1107/S1600536811022707","","","0.71073","MoKα","","0.0671","0.0452","","","0.1053","0.1149","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230865","22.18","0.004","8.952","0.0018","16.426","0.003","90","","93.33","0.03","90","","3256","1.1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[bis[(1,10-phenanthroline)cobalt(II)]-μ~4~-3,6- dicarboxycyclohexane-1,2,4,5-tetracarboxylato]","","- C36 H24 Co2 N4 O12 -","- C36 H24 Co2 N4 O12 -","- C144 H96 Co8 N16 O48 -","4","0.5","SJ5153","Xu, Wei","<i>catena</i>-Poly[bis[(1,10-phenanthroline)cobalt(II)]-μ~4~-3,6-dicarboxycyclohexane-1,2,4,5-tetracarboxylato]","Acta Crystallographica Section E","2011","67","7","m832","m833","10.1107/S1600536811019970","","","0.71073","MoKα","","0.0368","0.0308","","","0.079","0.0827","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230866","6.786","0.003","11.791","0.003","14.252","0.002","111.511","0.003","92.811","0.002","96.492","0.002","1049.1","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-(4-Diethylamino-2-hydroxybenzylidene)-4-(dimethylamino)benzohydrazide methanol monosolvate","","- C21 H30 N4 O3 -","- C21 H30 N4 O3 -","- C42 H60 N8 O6 -","2","1","SJ5154","Su, Fu; Gu, Zheng-Gui; Lin, Jun","<i>N</i>'-(4-Diethylamino-2-hydroxybenzylidene)-4-(dimethylamino)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","7","o1634","","10.1107/S1600536811019957","","","0.71073","MoKα","","0.1753","0.0701","","","0.141","0.1885","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230867","17.779","0.004","7.1575","0.0014","21.306","0.004","90","","90","","90","","2711.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluoro-1-(4-methoxybenzyl)indoline-2,3-dione","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C128 H96 F8 N8 O24 -","8","1","SJ5156","Wu, Weiyao; Lin, Huihui; Wan, Chong-Qing; Cao, Sheng-Li","5-Fluoro-1-(4-methoxybenzyl)indoline-2,3-dione","Acta Crystallographica Section E","2011","67","7","o1834","","10.1107/S1600536811023488","","","0.71073","MoKα","","0.1151","0.0486","","","0.1075","0.1357","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230868","7.9472","0.0016","9.884","0.002","10.628","0.002","84.37","0.03","70.12","0.03","72.72","0.03","749.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Butane-1,2,3,4-tetracarboxylic acid‒1,10-phenanthroline‒water (1/2/2)","","- C32 H30 N4 O10 -","- C32 H30 N4 O10 -","- C32 H30 N4 O10 -","1","0.5","SJ5157","Zhu, Hong-lin","Butane-1,2,3,4-tetracarboxylic acid‒1,10-phenanthroline‒water (1/2/2)","Acta Crystallographica Section E","2011","67","7","o1626","","10.1107/S1600536811021398","","","0.71073","MoKα","","0.102","0.0484","","","0.1181","0.1876","","","","","","1.173","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230869","12.301","0.002","6.8277","0.0006","27.965","0.003","90","","106.28","0.01","90","","2254.5","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Potassium <i>N</i>,2-dichlorobenzenesulfonamidate sesquihydrate","","- C12 H14 Cl4 K2 N2 O7 S2 -","- C6 H7 Cl2 K N O3.5 S -","- C48 H56 Cl16 K8 N8 O28 S8 -","8","1","SJ5159","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>,2-dichlorobenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2011","67","7","m914","","10.1107/S1600536811021891","","","0.71073","MoKα","","0.0437","0.0418","","","0.1038","0.105","","","","","","1.19","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230870","3.851","0.0009","19.395","0.006","11.796","0.002","90","","95.85","0.03","90","","876.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[Naphthalene-1,5-diylbis(nitrilomethanylylidene)]diphenol","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C48 H36 N4 O4 -","2","0.5","SJ5163","Karthikeyan, S.; Muthukumaran, J.; Krishna, R.; Manimaran, Bala.","2,2'-[Naphthalene-1,5-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2011","67","7","o1765","o1766","10.1107/S1600536811023099","","","0.71073","MoKα","","0.1053","0.08","","","0.1921","0.2055","","","","","","1.179","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230871","6.253","0.002","12.335","0.004","18.511","0.007","90","","90","","90","","1427.8","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]nicotinohydrazide","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","SJ5164","Liu, Shi-Yong; Guo, Qin-Qin; Hao, Yu-Mei; Wang, Xiao-Ling","(<i>E</i>)-<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]nicotinohydrazide","Acta Crystallographica Section E","2011","67","7","o1756","","10.1107/S1600536811023257","","","0.71073","MoKα","","0.1265","0.0494","","","0.1014","0.1312","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230872","6.421","0.0014","13.504","0.003","15.619","0.003","90","","90","","90","","1354.3","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,9-Dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,6,6a,7,8,9,9a,9b- decahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","SJ5165","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; El Ammari, Lahcen; Akssira, Mohamed; Elhakmaoui, Ahmed","5,9-Dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,6,6a,7,8,9,9a,9b-decahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1760","o1761","10.1107/S160053681102352X","","","0.71073","MoKα","","0.041","0.0372","","","0.0928","0.0967","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230873","18.107","0.0012","10.3025","0.0009","9.615","0.0006","90","","90","","90","","1793.7","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,2-Diphenyl-4-(piperidin-1-yl)butanamide","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C84 H104 N8 O4 -","4","1","SJ5167","Siddegowda, M. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Swamy, M. T.","2,2-Diphenyl-4-(piperidin-1-yl)butanamide","Acta Crystallographica Section E","2011","67","7","o1827","","10.1107/S1600536811024585","","","0.71073","MoKα","","0.0385","0.0355","","","0.0987","0.1022","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230874","9.9223","0.0013","11.4374","0.0015","13.9398","0.0019","96.86","0.002","94.578","0.002","105.326","0.002","1504.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetramethyl 5,5'-[4,5-dicyano-1,2-phenylenebis(oxy)]diisophthalate chloroform monosolvate","","- C29 H21 Cl3 N2 O10 -","- C29 H21 Cl3 N2 O10 -","- C58 H42 Cl6 N4 O20 -","2","1","SU2272","Yang, Fei; Meng, Fanjun; Zhang, Xiaomei; Bai, Ming","Tetramethyl 5,5'-[4,5-dicyano-1,2-phenylenebis(oxy)]diisophthalate chloroform monosolvate","Acta Crystallographica Section E","2011","67","7","o1836","","10.1107/S1600536811024718","","","0.71073","MoKα","","0.0853","0.0555","","","0.1428","0.1587","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230875","6.4151","0.0002","7.901","0.0002","10.1888","0.0003","90","","106.607","0.001","90","","494.89","0.02","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Methyl-2-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C22 H24 N4 O2 -","2","1","SU2275","Sekkak, Hanan; Rakib, El Mostapha; Zouihri, Hafid","6-Methyl-2-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1709","","10.1107/S1600536811021970","","","0.71073","MoKα","","0.0344","0.0322","","","0.092","0.0943","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230876","10.7764","0.0006","12.0953","0.0008","26.7606","0.0014","90","","93.452","0.005","90","","3481.7","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-5- (morpholin-4-ylmethyl)-1,3-oxazolidin-2-one","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C152 H168 N24 O32 -","8","2","SU2276","Du, Na-Na; Xu, Hua-Jie; Song, Chong-Fu; Sheng, Liang-Quan","(<i>E</i>)-3-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2011","67","7","o1740","","10.1107/S1600536811020368","","","1.54184","CuKα","","0.0736","0.0481","","","0.1221","0.1424","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230877","5.6718","0.0003","10.9476","0.0006","12.2652","0.0008","90","","90","","90","","761.58","0.08","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","1-Bromo-2,3,5,6-tetrafluoro-4-nitrobenzene","1-Bromo-2,3,5,6-tetrafluoro-4-nitrobenzene","","- C6 Br F4 N O2 -","- C6 Br F4 N O2 -","- C24 Br4 F16 N4 O8 -","4","1","SU2278","Stein, Mario; Schwarzer, Anke; Hulliger, Jürg; Weber, Edwin","1-Bromo-2,3,5,6-tetrafluoro-4-nitrobenzene","Acta Crystallographica Section E","2011","67","7","o1655","","10.1107/S160053681102201X","","","0.71073","MoKα","","0.0254","0.0227","","","0.0522","0.0529","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230878","7.7072","0.0003","9.7536","0.0005","9.8471","0.0004","76.273","0.002","74.24","0.002","85.024","0.003","691.86","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(4-bromobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II)","","- C26 H24 Br2 Cu N4 O8 -","- C26 H24 Br2 Cu N4 O8 -","- C26 H24 Br2 Cu N4 O8 -","1","0.5","SU2279","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Tercan, Barış; Hökelek, Tuncer","Diaquabis(4-bromobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section E","2011","67","7","m900","m901","10.1107/S1600536811021696","","","0.71073","MoKα","","0.042","0.0386","","","0.1064","0.1083","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230879","19.733","0.005","5.1441","0.0012","12.436","0.003","90","","107.477","0.006","90","","1204.1","0.5","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-5-(<i>p</i>-tolyl)-1,3,4-oxadiazole","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","SU2281","Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek","2-Phenyl-5-(<i>p</i>-tolyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2011","67","7","o1757","","10.1107/S1600536811023579","","","0.71073","MoKα","","0.1488","0.1094","","","0.273","0.3074","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230880","14.5065","0.0006","6.6107","0.0003","7.3708","0.0003","90","","98.179","0.002","90","","699.66","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquamanganese(II)]-bis(μ-4-fluorobenzoato-κ^2^<i>O</i>:<i>O</i>')]","","- C14 H12 F2 Mn O6 -","- C14 H12 F2 Mn O6 -","- C28 H24 F4 Mn2 O12 -","2","0.5","SU2282","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Tercan, Barış; Hökelek, Tuncer","Poly[[diaquamanganese(II)]-bis(μ-4-fluorobenzoato-κ^2^<i>O:O</i>')]","Acta Crystallographica Section E","2011","67","7","m1003","m1004","10.1107/S1600536811021921","","","0.71073","MoKα","","0.0392","0.0387","","","0.1109","0.1111","","","","","","1.277","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230881","12.241","0.005","5.909","0.005","14.69","0.005","90","","95.519","0.005","90","","1057.6","1.1","290","2","290","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Sodium piperidine-1-carbodithioate dihydrate","Sodium piperidine-1-carbodithioate dihydrate","","- C6 H14 N Na O2 S2 -","- C6 H14 N Na O2 S2 -","- C24 H56 N4 Na4 O8 S8 -","4","1","SU2283","Mafud, Ana C.; Gambardella, Maria Teresa P.","Sodium piperidine-1-carbodithioate dihydrate","Acta Crystallographica Section E","2011","67","7","m942","","10.1107/S1600536811022604","","","0.71073","MoKα","","0.0679","0.0538","","","","0.1516","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230882","10.618","0.002","10.987","0.002","12.601","0.002","95.815","0.003","114.197","0.002","113.909","0.002","1161.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[[(1,10-phenanthroline){μ~3~-2,2',2''-[1,3,5-triazine-2,4,6- triyltris(sulfanediyl)]triacetato}cadmium] 0.42-hydrate]","","- C21 H15.84 Cd N5 O6.42 S3 -","- C21 H15.842 Cd N5 O6.421 S3 -","- C42 H31.684 Cd2 N10 O12.842 S6 -","2","1","TK2743","Chi, Chun-Jing; Peng, Yan-Qiang; Zeng, Su-Yuan; Sun, De-Zhi","Poly[[(1,10-phenanthroline){μ~3~-2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl)]triacetato}cadmium] 0.42-hydrate]","Acta Crystallographica Section E","2011","67","7","m826","m827","10.1107/S1600536811019210","","","0.71073","MoKα","","0.0412","0.0302","","","0.0656","0.0707","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230883","7.0846","0.0004","9.5287","0.0007","9.6384","0.0006","115.009","0.007","104.901","0.006","98.074","0.006","546.28","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","carbazole","6-Methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-1-thione","","- C13 H13 N S -","- C13 H13 N S -","- C26 H26 N2 S2 -","2","1","TK2746","Archana, R.; Prabakaran, K.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.","6-Methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-1-thione","Acta Crystallographica Section E","2011","67","7","o1642","","10.1107/S1600536811019246","","","1.54184","CuKα","","0.0489","0.0454","","","0.1284","0.1327","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230884","9.3721","0.0019","13.036","0.003","13.132","0.003","90","","109.47","0.03","90","","1512.7","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Acetamidobenzenesulfonamido)benzoic acid","","- C15 H14 N2 O5 S -","- C15 H14 N2 O5 S -","- C60 H56 N8 O20 S4 -","4","2","TK2747","Sharif, Shahzad; Khan, Islam Ullah; Mahmood, Tariq; Kang, Sung Kwon","2-(4-Acetamidobenzenesulfonamido)benzoic acid","Acta Crystallographica Section E","2011","67","7","o1570","","10.1107/S1600536811020307","","","0.71073","MoKα","","0.111","0.0452","","","","0.0922","","","","","","0.82","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230885","15.487","0.001","10.062","0.0008","6.8061","0.0005","90","","99.888","0.007","90","","1044.84","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Potassium <i>N</i>,4-dichlorobenzenesulfonamidate monohydrate","","- C6 H6 Cl2 K N O3 S -","- C6 H6 Cl2 K N O3 S -","- C24 H24 Cl8 K4 N4 O12 S4 -","4","1","TK2749","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>,4-dichlorobenzenesulfonamidate monohydrate","Acta Crystallographica Section E","2011","67","7","m918","","10.1107/S1600536811020319","","","0.71073","MoKα","","0.0267","0.0238","","","0.065","0.0668","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230886","7.4303","0.0004","7.4614","0.0004","16.4393","0.0008","90","","90.976","0.004","90","","911.27","0.08","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","TK2750","Jasinski, Jerry P.; Golen, James A.; Sekar, S.; Yathirajan, H. S.; Naik, Nagaraja","7-Methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1646","","10.1107/S1600536811020174","","","0.71073","MoKα","","0.0531","0.0436","","","0.1181","0.1254","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230887","13.3648","0.0009","10.0768","0.0004","13.855","0.0008","90","","111.902","0.008","90","","1731.24","0.19","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(4-amino-1-hexylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato)cuprate(II)","","- C30 H38 Cu N8 S4 -","- C30 H38 Cu N8 S4 -","- C60 H76 Cu2 N16 S8 -","2","0.25","TK2752","Liu, Qi; Liu, Jianlan","Bis(4-amino-1-hexylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato)cuprate(II)","Acta Crystallographica Section E","2011","67","7","m916","","10.1107/S1600536811021611","","","0.71073","MoKα","","0.0472","0.0305","","","0.0708","0.0735","","","","","","0.922","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230888","7.6596","0.0008","8.7374","0.0009","11.3931","0.0011","94.336","0.002","95.584","0.001","98.465","0.002","747.46","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Benzene-1,3,5-tricarboxylic acid‒5-(pyridin-1-ium-3-yl)-5<i>H</i>-1,2,3,4-tetrazol-5-ide (1/1)","","- C15 H11 N5 O6 -","- C15 H11 N5 O6 -","- C30 H22 N10 O12 -","2","1","TK2753","Meng, Gao-Xiang; Ding, Hao; Feng, Ya-Min; Zhu, Jian-Hui; Yang, He-Lin","Benzene-1,3,5-tricarboxylic acid‒5-(pyridin-1-ium-3-yl)-5<i>H</i>-1,2,3,4-tetrazol-5-ide (1/1)","Acta Crystallographica Section E","2011","67","7","o1620","","10.1107/S1600536811021490","","","0.71073","Mokα","","0.0776","0.0675","","","0.1345","0.1389","","","","","","1.239","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230889","12.2215","0.0008","14.1521","0.001","10.3326","0.0007","90","","114.72","0.003","90","","1623.4","0.2","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,1'-[(5-Hydroxymethyl-1,3-phenylene)bis(methylene)]dipyridin-4(1<i>H</i>)-one monohydrate","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","TK2759","Fernandes, José A.; Lago, Manuela E. L.; Silva, Sandrina; Tomé, João P. C.; Cavaleiro, José A. S.; Almeida Paz, Filipe A.","1,1'-[(5-Hydroxymethyl-1,3-phenylene)bis(methylene)]dipyridin-4(1<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2011","67","7","o1859","o1860","10.1107/S1600536811024809","","","0.71073","MoKα","","0.0312","0.0297","","","0.0756","0.0767","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230890","15.3068","0.0005","6.9353","0.0002","14.9566","0.0005","90","","116.923","0.002","90","","1415.66","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Chloro-4-(4-methylphenoxymethyl)-2<i>H</i>-chromen-2-one","","- C17 H13 Cl O3 -","- C17 H13 Cl O3 -","- C68 H52 Cl4 O12 -","4","1","VM2090","Gowda, Ramakrishna; Gowda, K.V. Arjuna; Basanagouda, Mahantesha; Kulkarni, Manohar V.","6-Chloro-4-(4-methylphenoxymethyl)-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","7","o1650","","10.1107/S1600536811019258","","","0.71073","MoKα","","0.0928","0.0533","","","0.1387","0.1698","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230891","13.7802","0.0012","12.3129","0.0011","18.9865","0.0017","90","","101.066","0.002","90","","3161.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis[<i>N</i>-benzyl-2-(quinolin-8-yloxy)acetamide] monohydrate","","- C36 H34 N4 O5 -","- C36 H34 N4 O5 -","- C144 H136 N16 O20 -","4","1","VM2098","Wang, Ming-Shi; Li, Hai-Yan; Wu, Wei-Na","Bis[<i>N</i>-benzyl-2-(quinolin-8-yloxy)acetamide] monohydrate","Acta Crystallographica Section E","2011","67","7","o1558","","10.1107/S1600536811019817","","","0.71073","MoKα","","0.0724","0.0399","","","0.0795","0.0916","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230892","10.0771","0.0007","16.2881","0.0012","12.204","0.0009","90","","111.812","0.001","90","","1859.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","12-Chloro-6-cyclohexyl-5,6,7,12- tetrahydrodibenzo[<i>c</i>,</i>f</i>][1,5]azastibocine","","- C20 H23 Cl N Sb -","- C20 H23 Cl N Sb -","- C80 H92 Cl4 N4 Sb4 -","4","1","VM2099","Yi, Weiguo; Tan, Nianyuan","12-Chloro-6-cyclohexyl-5,6,7,12-tetrahydrodibenzo[<i>c</i>,<i>f</i>][1,5]azastibocine","Acta Crystallographica Section E","2011","67","7","m917","","10.1107/S1600536811021477","","","0.71073","MoKα","","0.0382","0.0324","","","0.0889","0.0917","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230893","19.981","0.004","7.7616","0.0016","13.868","0.003","90","","121.49","0.03","90","","1834","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[diaqua-μ~6~-succinato-di-μ~5~-succinato- didysprosium(III)] monohydrate]","","- C12 H18 Dy2 O15 -","- C12 H18 Dy2 O15 -","- C48 H72 Dy8 O60 -","4","0.5","VM2100","Xu, Wei; Chang, Hai-Sheng; Guo, Xia-Xia","Poly[[diaqua-μ~6~-succinato-di-μ~5~-succinato-didysprosium(III)] monohydrate]","Acta Crystallographica Section E","2011","67","7","m998","","10.1107/S1600536811024330","","","0.71073","MoKα","","0.0173","0.0162","","","0.0379","0.0383","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230894","11.9779","0.0003","8.0267","0.0002","9.3835","0.0002","90","","101.391","0.002","90","","884.39","0.04","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-(3-Hydroxybenzylamino)acetic acid","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","2","VM2101","Zhi, Li-Hua; Wu, Wei-Na","2-(3-Hydroxybenzylamino)acetic acid","Acta Crystallographica Section E","2011","67","7","o1791","","10.1107/S1600536811024226","","","0.71073","MoKα","","0.0475","0.0431","","","0.1288","0.1337","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230895","13.8297","0.0004","9.4906","0.0003","7.1272","0.0003","90","","100.768","0.003","90","","918.99","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquadi-μ~2~-cyanido-bis(μ~2~-pyrazine-2-\ carboxylato)dicopper(I)copper(II)] dihydrate]","","- C12 H14 Cu3 N6 O8 -","- C12 H14 Cu3 N6 O8 -","- C24 H28 Cu6 N12 O16 -","2","0.5","VN2007","Fan, Guang; Sun, Jia-juan; Zheng, Min-yan; Chen, San-ping; Gao, Sheng-Li","Poly[[diaquadi-μ~2~-cyanido-bis(μ~2~-pyrazine-2-carboxylato)dicopper(I)copper(II)] dihydrate]","Acta Crystallographica Section E","2011","67","7","m822","m823","10.1107/S1600536811019453","","","0.71073","MoKα","","0.0397","0.0292","","","0.0793","0.0949","","","","","","0.987","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230896","12.96","0.006","17.635","0.007","7.288","0.003","90","","90","","90","","1665.7","1.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrito- κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","","- C10 H20 Cu N6 O6 -","- C10 H20 Cu N6 O6 -","- C40 H80 Cu4 N24 O24 -","4","0.5","VN2010","Zhu, Run-Qiang","Bis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrito-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","Acta Crystallographica Section E","2011","67","7","m937","","10.1107/S1600536811022367","","","0.71073","MoKα","","0.0356","0.0306","","","0.0759","0.0788","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230897","21.428","0.01","9.458","0.004","12.897","0.006","90","","118.462","0.005","90","","2297.9","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-2,5- bis(allyloxy)terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C26 H20 N2 O6 Zn -","- C26 H20 N2 O6 Zn -","- C104 H80 N8 O24 Zn4 -","4","0.5","VN2012","Hu, Ruofei; Hu, Yuanying; Zhu, Qingzeng","Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-2,5-bis(allyloxy)terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section E","2011","67","7","m936","","10.1107/S1600536811022392","","","0.71073","MoKα","","0.0324","0.0293","","","0.0758","0.0776","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230898","9.1933","0.0018","10.341","0.002","14.255","0.003","90","","90","","90","","1355.2","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(1-methylpiperazine-1,4-diium) tetrabromidocuprate(II)","","- C5 H14 Br4 Cu N2 -","- C5 H14 Br4 Cu N2 -","- C20 H56 Br16 Cu4 N8 -","4","1","VN2014","Peng, Cong-hu","Bis(1-methylpiperazine-1,4-diium) tetrabromidocuprate(II)","Acta Crystallographica Section E","2011","67","7","m967","","10.1107/S1600536811024184","","","0.71073","MoKα","","0.0601","0.044","","","0.0825","0.0875","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230899","8.9717","0.0018","9.945","0.002","13.753","0.003","90","","90","","90","","1227.1","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(1-methylpiperazine-1,4-diium) tetrachloridocuprate(II)","","- C5 H14 Cl4 Cu N2 -","- C5 H14 Cl4 Cu N2 -","- C20 H56 Cl16 Cu4 N8 -","4","1","VN2015","Peng, Cong-hu","Bis(1-methylpiperazine-1,4-diium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2011","67","7","m979","","10.1107/S1600536811024354","","","0.71073","MoKα","","0.0283","0.0253","","","0.0576","0.0587","","","","","","1.114","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230900","9.6008","0.0001","11.5422","0.0002","14.2886","0.0002","90","","122.46","0.001","90","","1336","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[dimethylammonium [aquadi-μ~2~-oxalato-yttriate(III)] trihydrate]","","- C6 H16 N O12 Y -","- C6 H16 N O12 Y -","- C24 H64 N4 O48 Y4 -","4","1","WM2489","Lv, Yao-Kang; Gan, Li-Hua; Xu, Liang; Zheng, Hao-Wen; Liu, Cao","Poly[dimethylammonium [aquadi-μ~2~-oxalato-yttriate(III)] trihydrate]","Acta Crystallographica Section E","2011","67","7","m837","m838","10.1107/S1600536811019209","","","0.71073","MoKα","","0.0507","0.0332","","","0.0748","0.082","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230901","7.6055","0.0006","9.7027","0.0011","10.3144","0.001","74.431","0.009","81.609","0.007","87.72","0.008","725.36","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[chloridocadmium(II)]bis{μ-1-[(2-ethyl-1<i>H</i>- imidazol-1-yl)methyl]-1<i>H</i>-benzotriazole}[chloridocadmium(II)]di- μ-chlorido]","","- C12 H13 Cd Cl2 N5 -","- C12 H13 Cd Cl2 N5 -","- C24 H26 Cd2 Cl4 N10 -","2","1","WM2490","Wang, Xia; Shi, Xian-Ju; Yang, Huai-Xia; Feng, Hu; Liu, Pan","<i>catena</i>-Poly[[chloridocadmium(II)]bis{μ-1-[(2-ethyl-1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzotriazole}[chloridocadmium(II)]di-μ-chlorido]","Acta Crystallographica Section E","2011","67","7","m846","","10.1107/S1600536811019908","","","0.7107","MoKα","","0.0447","0.0351","","","0.0634","0.0689","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230902","9.503","0.002","15.123","0.005","18.032","0.005","90","","103.94","0.02","90","","2515.1","1.2","564","2","564","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro- <i>closo</i>-decaborate dimethyl sulfoxide disolvate","","- C12 H41 B10 N3 O2 S2 -","- C12 H41 B10 N3 O2 S2 -","- C48 H164 B40 N12 O8 S8 -","4","1","WM2492","Getman, Thomas D.; Luck, Rudy L.; Cienkus, Caitlin","2-[(1-{[3-(dimethylazaniumyl)propyl]methylamino}ethylidene)azaniumyl]nonahydro-<i>closo</i>-decaborate dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2011","67","7","o1682","o1683","10.1107/S1600536811020186","","","0.71069","MoKα","","0.0797","0.0447","","","","0.135","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230903","14.6106","0.0003","10.2624","0.0002","19.4547","0.0003","90","","120.744","0.001","90","","2507.07","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-oxido-bis[bis(<i>N</i>,<i>N</i>-diethylhydroxylaminato)oxidovanadium(V)]","","- C16 H40 N4 O7 V2 -","- C16 H40 N4 O7 V2 -","- C64 H160 N16 O28 V8 -","4","1","WM2493","Zhang, Heng-Qiang; Jin, Zhong-Min; Fan, Xin; Zhang, Qi-Ying","Redetermination of μ-oxido-bis[bis(<i>N</i>,<i>N</i>-diethylhydroxylaminato)oxidovanadium(V)]","Acta Crystallographica Section E","2011","67","7","m860","m861","10.1107/S1600536811020551","","","0.71073","MoKα","","0.0376","0.0302","","","0.0859","0.0896","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230904","13.401","0.004","4.937","0.002","14.446","0.004","90","","108.67","0.03","90","","905.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-Bis(3-methylphenyl)succinamide dihydrate","<i>N</i>,<i>N</i>'-Bis(3-methylphenyl)butane-1,4-diamide dihydrate","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","WM2494","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(3-methylphenyl)succinamide dihydrate","Acta Crystallographica Section E","2011","67","7","o1591","","10.1107/S1600536811020940","","","0.71073","MoKα","","0.2477","0.1256","","","0.1299","0.1585","","","","","","1.225","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230905","7.5824","0.0015","8.5237","0.0017","15.972","0.003","98.33","0.03","91.11","0.03","115.21","0.03","920.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>- imidazole}sulfatomanganese(II) dihydrate","","- C10 H21 Mn N5 O10 S -","- C10 H21 Mn N5 O10 S -","- C20 H42 Mn2 N10 O20 S2 -","2","1","WM2495","Wang, Ying; Sun, Ying-Ying","Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole}sulfatomanganese(II) dihydrate","Acta Crystallographica Section E","2011","67","7","m920","","10.1107/S1600536811022197","","","0.71073","MoKα","","0.0421","0.0376","","","0.0837","0.0868","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230906","8.9852","0.0018","9.4392","0.0019","12.538","0.003","108.81","0.03","92.34","0.03","116.18","0.03","882.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4- carboxylato)]nickel(II) dihydrate","","- C13 H18 N4 Ni O12 -","- C13 H18 N4 Ni O12 -","- C26 H36 N8 Ni2 O24 -","2","1","WM2496","Jin, Guang-Hua; Li, Xifeng; Hu, Chunyue; Hu, Lixin","Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]nickel(II) dihydrate","Acta Crystallographica Section E","2011","67","7","m988","","10.1107/S1600536811024391","","","0.71073","MoKα","","0.0466","0.0396","","","0.0938","0.0981","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230907","9.4025","0.0009","16.7146","0.001","8.7886","0.0005","90","","90","","90","","1381.21","0.17","200","2","200","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Poly[bis(μ~2~-pyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(selenocyanato- κ<i>N</i>)zinc]","","- C10 H8 N6 Se2 Zn -","- C10 H8 N6 Se2 Zn -","- C40 H32 N24 Se8 Zn4 -","4","","WM2498","Boeckmann, Jan; Reinert, Thorben; Näther, Christian","Poly[bis(μ~2~-pyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(selenocyanato-κ<i>N</i>)zinc]","Acta Crystallographica Section E","2011","67","7","m948","","10.1107/S1600536811023129","","","0.71073","MoKα","","0.0292","0.0286","","","0.0726","0.073","","","","","","1.147","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230908","12.0274","0.0007","7.2006","0.0003","12.569","0.0007","90","","110.305","0.006","90","","1020.89","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ammonium <i>O</i>,<i>O</i>'-diethyl dithiophosphate","","- C4 H14 N O2 P S2 -","- C4 H14 N O2 P S2 -","- C16 H56 N4 O8 P4 S8 -","4","1","WM2499","Okuniewski, Andrzej; Becker, Barbara","Ammonium <i>O</i>,<i>O</i>'-diethyl dithiophosphate","Acta Crystallographica Section E","2011","67","7","o1749","o1750","10.1107/S1600536811022811","","","0.71073","MoKα","","0.0469","0.0349","","","0.0817","0.0847","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230909","8.151","0.0004","13.7382","0.0005","15.0111","0.0006","90","","90","","90","","1680.94","0.12","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(3-methylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc","","- C14 H14 N4 S2 Zn -","- C14 H14 N4 S2 Zn -","- C56 H56 N16 S8 Zn4 -","4","0.5","WM2500","Boeckmann, Jan; Näther, Christian","Bis(3-methylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc","Acta Crystallographica Section E","2011","67","7","m994","","10.1107/S1600536811024561","","","0.71073","MoKα","","0.0666","0.0503","","","0.1141","0.1218","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230910","7.974","0.0002","12.463","0.0003","13.987","0.0003","90","","94.384","0.001","90","","1385.96","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Amino-1,3-dimethyl-5-[(<i>E</i>)-2- (methylsulfanyl)benzylideneamino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C14 H16 N4 O2 S -","- C14 H16 N4 O2 S -","- C56 H64 N16 O8 S4 -","4","1","WN2434","Booysen, Irvin; Muhammed, Ismail; Soares, Anna; Gerber, Thomas; Hosten, Eric; Betz, Richard","6-Amino-1,3-dimethyl-5-[(<i>E</i>)-2-(methylsulfanyl)benzylideneamino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","7","o1592","","10.1107/S1600536811020903","","","0.71069","MoKα","","0.044","0.0359","","","0.0905","0.0936","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230911","13.4377","0.0008","10.4789","0.0007","17.1666","0.0012","90","","103.822","0.002","90","","2347.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","25,26,27,28-Tetrakis(3-bromobenzyloxy)calix[4]arene","","- C56 H44 Br4 O4 -","- C56 H44 Br4 O4 -","- C112 H88 Br8 O8 -","2","0.5","WN2436","Lee, Eunji; Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min","25,26,27,28-Tetrakis(3-bromobenzyloxy)calix[4]arene","Acta Crystallographica Section E","2011","67","7","o1716","","10.1107/S1600536811022975","","","0.71073","MoKα","","0.0742","0.0408","","","0.0935","0.1063","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230912","16.0429","0.0004","4.8585","0.0001","16.796","0.0004","90","","96.581","0.001","90","","1300.53","0.05","100","0.1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorophenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","WN2437","Fun, Hoong-Kun; Arshad, Suhana; Malladi, Shridhar; Selvam, R.; Isloor, Arun M.","3-(4-Chlorophenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","7","o1783","o1784","10.1107/S1600536811023713","","","0.71073","MoKα","","0.0474","0.0402","","","0.0931","0.0981","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230913","6.524","0.0008","7.5852","0.0008","8.3161","0.0008","90.393","0.002","103.556","0.002","114.314","0.002","362.09","0.07","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)copper(II)]- μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']","","- C12 H12 Cu N4 O8 -","- C12 H12 Cu N4 O8 -","- C12 H12 Cu N4 O8 -","1","0.5","XU5198","Wang, Pin-Ning; Yeh, Chun-Wei; Tsai, Hui-An; Wang, Ju-Chun; Suen, Maw-Cherng","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)copper(II)]-μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","7","m881","","10.1107/S1600536811020605","","","0.71073","MoKα","","0.0341","0.0339","","","0.0945","0.0946","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230914","7.0053","0.0018","11.449","0.003","14.077","0.004","105.352","0.004","92.837","0.004","94.624","0.002","1082.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] pyridine-3,5-dicarboxylate trihydrate]","","- C17 H25 Co N3 O11 -","- C17 H25 Co N3 O11 -","- C34 H50 Co2 N6 O22 -","2","1","XU5203","Zhu, Xian-Dong","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] pyridine-3,5-dicarboxylate trihydrate]","Acta Crystallographica Section E","2011","67","7","m970","m971","10.1107/S1600536811023816","","","0.71073","MoKα","","0.0369","0.0325","","","0.1108","0.1176","","","","","","0.963","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230915","12.0635","0.001","14.0755","0.0012","11.5121","0.001","90","","107.59","0.002","90","","1863.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-Phenyl-6,7-dihydrodibenzo[<i>c</i>,<i>f</i>][1,5]azabismocin-12(5<i>H</i>)-yl perchlorate","","- C20 H17 Bi Cl N O4 -","- C20 H17 Bi Cl N O4 -","- C80 H68 Bi4 Cl4 N4 O16 -","4","1","XU5208","Zhang, Xiao-Wen; Fan, Ting","6-Phenyl-6,7-dihydrodibenzo[<i>c</i>,<i>f</i>][1,5]azabismocin-12(5<i>H</i>)-yl perchlorate","Acta Crystallographica Section E","2011","67","7","m875","","10.1107/S1600536811021039","","","0.71073","MoKα","","0.0749","0.065","","","0.1582","0.1629","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230916","7.7527","0.0001","20.6173","0.0004","12.6506","0.0002","90","","100.931","0.001","90","","1985.38","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-(Dimethyl sulfoxide-κ<i>O</i>)[<i>N</i>'-(3-ethoxy-2- oxidobenzylidene-κ<i>O</i>)-2-hydroxybenzohydrazidato- κ^2^<i>N</i>',<i>O</i>]dioxidomolybdenum(VI)","","- C18 H20 Mo N2 O7 S -","- C18 H20 Mo N2 O7 S -","- C72 H80 Mo4 N8 O28 S4 -","4","1","XU5215","Ngan, Ngui Khiong; Lo, Kong Mun; Richard Wong, Chee Seng","<i>cis</i>-(Dimethyl sulfoxide-κ<i>O</i>)[<i>N</i>'-(3-ethoxy-2-oxidobenzylidene-κ<i>O</i>)-2-hydroxybenzohydrazidato-κ^2^<i>N</i>',<i>O</i>]dioxidomolybdenum(VI)","Acta Crystallographica Section E","2011","67","7","m857","","10.1107/S1600536811020290","","","0.71073","MoKα","","0.0245","0.0242","","","0.1191","0.12","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230917","14.4823","0.0009","18.4007","0.0008","14.6257","0.001","90","","117.823","0.007","90","","3446.9","0.4","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","niobium(V)-Tri-mu-oxo-tetraphenylporphyrinate","Tri-μ-oxido-bis[(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)niobium(V)]","","- C88 H56 N8 Nb2 O3 -","- C88 H56 N8 Nb2 O3 -","- C176 H112 N16 Nb4 O6 -","2","1","XU5216","Soury, Raoudha; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","Tri-μ-oxido-bis[(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)niobium(V)]","Acta Crystallographica Section E","2011","67","7","m862","m863","10.1107/S1600536811020538","","","0.71073","MoKα","","0.0771","0.0618","","","0.1572","0.1659","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230918","7.6726","0.0004","11.4037","0.0005","12.2426","0.0005","90","","90","","90","","1071.18","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(4-Methylphenyl)benzonitrile","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","1","XU5222","Siddegowda, M. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.","2-(4-Methylphenyl)benzonitrile","Acta Crystallographica Section E","2011","67","7","o1647","","10.1107/S160053681101988X","","","0.71073","MoKα","","0.0492","0.0403","","","0.0996","0.1053","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230919","10.337","0.0002","11.6707","0.0003","14.1121","0.0004","110.824","0.004","101.333","0.003","95.761","0.002","1533.09","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-fluorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-(4-fluorobenzoic acid-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II)","","- C33 H25 Cu F3 N4 O8 -","- C33 H25 Cu F3 N4 O8 -","- C66 H50 Cu2 F6 N8 O16 -","2","1","XU5224","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Tercan, Barış; Hökelek, Tuncer","Bis(4-fluorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-(4-fluorobenzoic acid-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section E","2011","67","7","m887","m888","10.1107/S1600536811020897","","","0.71073","MoKα","","0.0451","0.0359","","","0.0812","0.0869","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230920","6.1152","0.0008","10.3757","0.0013","22.734","0.003","77.542","0.002","89.667","0.002","78.51","0.002","1379.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-Methyl-6-[(1-phenyl-1<i>H</i>-pyrazol-4- yl)methylidene]cyclohexanone","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","2","XU5225","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng","(<i>E</i>)-2-Methyl-6-[(1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]cyclohexanone","Acta Crystallographica Section E","2011","67","7","o1611","","10.1107/S160053681102126X","","","0.71073","MoKα","","0.0994","0.0624","","","0.1514","0.1724","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230921","12.6048","0.001","13.2273","0.001","8.9703","0.0007","90","","102.242","0.001","90","","1461.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,5-Dimethyl-1-(4-sulfamidophenyl)-7-oxothiazol[4,5-d]pyradazine","4-(2,7-dimethyl-4-oxo-1,3-thiazolo[4,5-<i>d</i>]pyridazin- 5-yl)benzenesulfonamide","","- C13 H12 N4 O3 S2 -","- C13 H12 N4 O3 S2 -","- C52 H48 N16 O12 S8 -","4","1","XU5226","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng","4-(2,7-Dimethyl-4-oxo-1,3-thiazolo[4,5-<i>d</i>]pyridazin-5-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","7","o1665","","10.1107/S1600536811021271","","","0.71073","MoKα","","0.0406","0.0344","","","0.0909","0.0965","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230922","14.7513","0.0017","17.545","0.002","7.6203","0.0009","90","","101.496","0.002","90","","1932.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>,<i>E</i>)-4-{4-[3-(4-Chloroanilino)-1-hydroxybut-2-enylidene]- 3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}benzenesulfonamide","","- C20 H19 Cl N4 O4 S -","- C20 H19 Cl N4 O4 S -","- C80 H76 Cl4 N16 O16 S4 -","4","1","XU5227","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng","(<i>E</i>,<i>E</i>)-4-{4-[3-(4-Chloroanilino)-1-hydroxybut-2-enylidene]-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}benzenesulfonamide","Acta Crystallographica Section E","2011","67","7","o1590","","10.1107/S1600536811020617","","","0.71073","MoKα","","0.0823","0.0535","","","0.1109","0.1249","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230923","6.7722","0.0007","8.8052","0.0012","24.493","0.003","95.777","0.009","94.514","0.017","98.839","0.012","1429.3","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","4,5,6,7-Tetrachloro-<i>N</i>-(2,3,4-trifluorophenyl)phthalimide","4,5,6,7-Tetrachloro-2-(2,3,4-trifluorophenyl)isoindoline-1,3-dione","","- C14 H2 Cl4 F3 N O2 -","- C14 H2 Cl4 F3 N O2 -","- C56 H8 Cl16 F12 N4 O8 -","4","2","XU5228","Zhang, Yin-Jun; Luo, Chen-Tao; Wang, Yu-Guang; Wang, Zhao","4,5,6,7-Tetrachloro-<i>N</i>-(2,3,4-trifluorophenyl)phthalimide","Acta Crystallographica Section E","2011","67","7","o1604","","10.1107/S1600536811020721","","","0.71073","MoKα","","0.0478","0.0379","","","0.0918","0.0948","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230924","8.4086","0.0011","9.6252","0.0011","11.2618","0.0013","87.705","0.009","74.895","0.01","64.111","0.012","788.81","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,8-Bis(4-fluorophenyl)naphthalene","","- C22 H14 F2 -","- C22 H14 F2 -","- C44 H28 F4 -","2","1","XU5229","Feng, Jin-Wu; Han, Qing-Chuan","1,8-Bis(4-fluorophenyl)naphthalene","Acta Crystallographica Section E","2011","67","7","o1595","","10.1107/S1600536811020563","","","0.71073","MoKα","","0.0861","0.0414","","","0.086","0.0949","","","","","","0.831","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230925","10.1173","0.0009","16.2686","0.0015","10.3486","0.001","90","","103.069","0.001","90","","1659.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(4-methoxy-2-{[2-(piperazin-4-ium-1- yl)ethyl]iminomethyl}phenolate)cadmium","","- C14 H21 Cd Cl2 N3 O2 -","- C14 H21 Cd Cl2 N3 O2 -","- C56 H84 Cd4 Cl8 N12 O8 -","4","1","XU5230","Saleh Salga, Muhammad; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido(4-methoxy-2-{[2-(piperazin-4-ium-1-yl)ethyl]iminomethyl}phenolate)cadmium","Acta Crystallographica Section E","2011","67","7","m927","","10.1107/S1600536811022100","","","0.71073","MoKα","","0.0395","0.031","","","0.0582","0.0611","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230926","8.7517","0.0005","12.3409","0.0007","13.9952","0.0008","90","","101.878","0.0007","90","","1479.17","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-methanolato-κ^2^<i>O</i>:<i>O</i>)bis{[4-bromo-<i>N</i>'-(1- methyl-3-oxidobut-2-en-1-ylidene-κ<i>O</i>)benzohydrazidato- κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V)}","","- C26 H28 Br2 N4 O8 V2 -","- C26 H28 Br2 N4 O8 V2 -","- C52 H56 Br4 N8 O16 V4 -","2","0.5","XU5231","Wong, Hon Wee; Lo, Kong Mun; Ng, Seik Weng","Bis(μ-methanolato-κ^2^<i>O</i>:<i>O</i>)bis{[4-bromo-<i>N</i>'-(1-methyl-3-oxidobut-2-en-1-ylidene-κ<i>O</i>)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V)}","Acta Crystallographica Section E","2011","67","7","m902","","10.1107/S1600536811021647","","","0.71073","MoKα","","0.0267","0.023","","","0.0587","0.0603","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230927","10.5744","0.0001","10.8946","0.0001","21.4199","0.0003","101.713","0.0006","90.6861","0.0006","101.203","0.0006","2366.83","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-(<i>E</i>)-3-(2-furyl)prop-2- enoato-κ^2^<i>O</i>:<i>O</i>']","","- C28 H26 O3 Sn -","- C28 H26 O3 Sn -","- C112 H104 O12 Sn4 -","4","2","XU5233","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-(<i>E</i>)-3-(2-furyl)prop-2-enoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","7","m980","","10.1107/S1600536811023919","","","0.71073","MoKα","","0.0412","0.0327","","","0.0962","0.1057","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230928","12.7274","0.0002","25.5126","0.0003","13.5135","0.0002","90","","100.854","0.0007","90","","4309.46","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trimethylphenylammonium μ-bromido-bis[dibromidobis(4-bromobenzyl)stannate(IV)]","","- C37 H38 Br9 N Sn2 -","- C37 H38 Br9 N Sn2 -","- C148 H152 Br36 N4 Sn8 -","4","1","XU5234","Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng","Trimethylphenylammonium μ-bromido-bis[dibromidobis(4-bromobenzyl)stannate(IV)]","Acta Crystallographica Section E","2011","67","7","m872","","10.1107/S1600536811021295","","","0.71073","MoKα","","0.0541","0.0346","","","0.069","0.0754","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230929","7.0066","0.0002","11.616","0.0004","9.1568","0.0002","90","","108.157","0.001","90","","708.15","0.04","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclopenol","3'-(3-Hydroxyphenyl)-4-methylspiro[benzo[<i>e</i>][1,4]diazepine-3,2'- oxirane]-2,5(1<i>H</i>,4<i>H</i>)-dione","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C34 H28 N4 O8 -","2","1","XU5236","Liu, Jun-Liang; Hu, Zhi-Yu; Xu, Qing-Yan","3'-(3-Hydroxyphenyl)-4-methylspiro[benzo[<i>e</i>][1,4]diazepine-3,2'-oxirane]-2,5(1<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","7","o1670","","10.1107/S1600536811022161","","","0.71073","MoKα","","0.0347","0.033","","","0.1003","0.1066","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230930","7.1837","0.0013","22.408","0.004","12.112","0.002","90","","91.149","0.003","90","","1949.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)manganese(II)","","- C15 H21 Mn N5 O2 S2 -","- C15 H21 Mn N5 O2 S2 -","- C60 H84 Mn4 N20 O8 S8 -","4","1","XU5237","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Aqua{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2011","67","7","m928","","10.1107/S1600536811022124","","","0.71073","MoKα","","0.0581","0.0366","","","0.0721","0.0816","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230931","14.1896","0.0018","15.881","0.002","10.3998","0.001","90","","132.13","0.02","90","","1738","0.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-[(3-Chlorophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C84 H80 Cl4 N4 O8 -","4","1","XU5238","Shu, Li-Jin","1-[(3-Chlorophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2011","67","7","o1681","","10.1107/S1600536811021726","","","0.71073","MoKα","","0.1243","0.0848","","","0.2047","0.2399","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230932","10.388","0.002","13.325","0.003","13.766","0.003","111.37","0.03","108.31","0.03","92.46","0.03","1657.7","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-<i>tert</i>-Butyl-6-(cyclohexyliminomethyl)-4-methoxyphenol","","- C18 H27 N O2 -","- C18 H27 N O2 -","- C72 H108 N4 O8 -","4","2","XU5239","Jamjah, Roghayieh; Nekoomanesh, Mehdi; Pourjafar, Tayebeh; Zohuri, Gholam Hossein; Afshartaromi, Faramarz; Notash, Behrouz","2-<i>tert</i>-Butyl-6-(cyclohexyliminomethyl)-4-methoxyphenol","Acta Crystallographica Section E","2011","67","7","o1775","o1776","10.1107/S1600536811023385","","","0.71073","MoKα","","0.0812","0.0587","","","0.1702","0.2087","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230933","8.1869","0.0001","15.4342","0.0002","14.0867","0.0002","90","","94.074","0.001","90","","1775.47","0.04","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(tetramethylammonium) thiosulfate tetrahydrate","","- C8 H32 N2 O7 S2 -","- C8 H32 N2 O7 S2 -","- C32 H128 N8 O28 S8 -","4","1","XU5240","Yang, Yun-Xia; Ng, Seik Weng","Bis(tetramethylammonium) thiosulfate tetrahydrate","Acta Crystallographica Section E","2011","67","7","o1664","","10.1107/S1600536811021672","","","0.71073","MoKα","","0.0524","0.0454","","","0.1219","0.1268","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230934","4.8825","0.001","7.9565","0.0016","15.452","0.003","90","","97.35","0.03","90","","595.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4-Butylanilinium perchlorate","","- C10 H16 Cl N O4 -","- C10 H16 Cl N O4 -","- C20 H32 Cl2 N2 O8 -","2","0.5","XU5241","Cai, Xing-Wei; Lu, Hong-Fei","4-Butylanilinium perchlorate","Acta Crystallographica Section E","2011","67","7","o1690","","10.1107/S1600536811022860","","","0.71073","MoKα","","0.1068","0.084","","","0.2409","0.2548","","","","","","1.147","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230935","8.835","0.0003","6.7002","0.0002","14.7347","0.0004","90","","103.117","0.003","90","","849.48","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","angustoline monohydrate","1-(1-Hydroxyethyl)-7,8-dihydroindolo[2,3-<i>a</i>]pyridine[3,4- <i>g</i>]quinolizin-5(13<i>H</i>)-one monohydrate","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","XU5242","Liew, Sook Yee; Mukhtar, Mat Ropi; Awang, Khalijah; Mustafa, Mohd Rais; Ng, Seik Weng","1-(1-Hydroxyethyl)-7,8-dihydroindolo[2,3-<i>a</i>]pyridine[3,4-<i>g</i>]quinolizin-5(13<i>H</i>)-one (angustoline) monohydrate from <i>Nauclea subdita</i> (Rubiaceae)","Acta Crystallographica Section E","2011","67","7","o1727","o1728","10.1107/S1600536811022768","","","1.54184","CuKα","","0.0401","0.0359","","","0.0952","0.0981","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230936","28.0041","0.0005","15.4644","0.0003","9.035","0.0002","90","","93.235","0.001","90","","3906.52","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-{[3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}- 1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","","- C22 H23 N3 O4 -","- C22.012 H23 N3.004 O4.004 -","- C176.096 H184 N24.032 O32.032 -","8","1","XU5243","Dardouri, Rachida; Rodi, Yousef Kandri; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","3-{[3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","7","o1729","","10.1107/S1600536811022872","","","0.71073","MoKα","","0.0821","0.0614","","","0.162","0.1785","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230937","19.5785","0.0004","13.033","0.0003","9.9269","0.0002","90","","90.583","0.001","90","","2532.88","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Di-<i>tert</i>-butyl 2,6,11-trioxo-2,3-dihydro-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-1,3-diacetate","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C108 H112 N8 O28 -","4","1","XU5244","Afrakssou, Zahra; Rodi, Yousef Kandri; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","Di-<i>tert</i>-butyl 2,6,11-trioxo-2,3-dihydro-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-1,3-diacetate","Acta Crystallographica Section E","2011","67","7","o1730","","10.1107/S1600536811022914","","","0.71073","MoKα","","0.1157","0.056","","","0.1454","0.1904","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230938","13.847","0.003","11.296","0.002","12.893","0.003","90","","92.38","0.03","90","","2014.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Propane-1,2-diaminium bis(4-methoxybenzoate)","","- C19 H26 N2 O6 -","- C19 H26 N2 O6 -","- C76 H104 N8 O24 -","4","1","XU5245","Ru, Zong-Ling","Propane-1,2-diaminium bis(4-methoxybenzoate)","Acta Crystallographica Section E","2011","67","7","o1817","","10.1107/S1600536811023968","","","0.71073","MoKα","","0.1604","0.0727","","","0.1549","0.1941","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230939","8.578","0.007","14.016","0.011","7.382","0.007","90","","112.176","0.017","90","","821.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~5~-2,6-dimethylpyridine-3,5-dicarboxylato)zinc]","","- C9 H7 N O4 Zn -","- C9 H7 N O4 Zn -","- C36 H28 N4 O16 Zn4 -","4","0.5","XU5247","Zhang, Ming-Xing; Chen, Xin; Zhu, Yi","Poly[(μ~5~-2,6-dimethylpyridine-3,5-dicarboxylato)zinc]","Acta Crystallographica Section E","2011","67","7","m977","","10.1107/S1600536811024172","","","0.71073","MoKα","","0.0238","0.0229","","","0.0657","0.0666","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230940","7.3145","0.0002","14.2903","0.0003","25.1512","0.0006","90","","90","","90","","2628.96","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-1-[(<i>E</i>)-3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>- benzimidazol-2(3<i>H</i>)-one‒6-chloro-1-[(<i>E</i>)- 3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one (4/1)","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C104 H112 Cl8 N24 O16 -","8","1","XU5248","Dardouri, Rachida; Rodi, Yousef Kandri; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","5-Chloro-1-[(<i>E</i>)-3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one‒6-chloro-1-[(<i>E</i>)-3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one (4/1)","Acta Crystallographica Section E","2011","67","7","o1853","","10.1107/S1600536811024706","","","0.71073","MoKα","","0.0854","0.0669","","","0.1923","0.2041","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230941","9.0283","0.0002","20.281","0.0006","9.2298","0.0003","90","","93.492","0.002","90","","1686.87","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Isopropylamino)(methyl)diphenylphosphonium iodide","","- C16 H21 I N P -","- C16 H21 I N P -","- C64 H84 I4 N4 P4 -","4","1","YA2139","Peulecke, Normen; Peitz, Stephan; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","(Isopropylamino)(methyl)diphenylphosphonium iodide","Acta Crystallographica Section E","2011","67","7","o1741","","10.1107/S1600536811020332","","","0.71073","MoKα","","0.023","0.019","","","0.047","0.048","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230942","8.155","0.0004","13.5093","0.0007","16.0248","0.0009","90","","103.899","0.005","90","","1713.74","0.16","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-Ethyl-<i>N</i>-(3-nitrobenzylidene)-9<i>H</i>-carbazol-3-amine","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","2","YA2140","Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.","9-Ethyl-<i>N</i>-(3-nitrobenzylidene)-9<i>H</i>-carbazol-3-amine","Acta Crystallographica Section E","2011","67","7","o1799","","10.1107/S1600536811023890","","","1.54184","CuKα","","0.106","0.08","","","0.215","0.246","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230943","12.631","0.003","8.2564","0.0017","11.423","0.002","90","","114.63","0.03","90","","1082.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Methyl-2-oxo-1-phenylpropan-1-aminium chloride","","- C10 H14 Cl N O -","- C10 H14 Cl N O -","- C40 H56 Cl4 N4 O4 -","4","1","YK2004","Wang, Shi Juan","<i>N</i>-Methyl-2-oxo-1-phenylpropan-1-aminium chloride","Acta Crystallographica Section E","2011","67","7","o1855","","10.1107/S1600536811024032","","","0.71073","MoKα","","0.0749","0.0529","","","0.1574","0.1721","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230944","7.338","0.002","7.824","0.003","11.964","0.004","94.634","0.004","93.561","0.004","115.027","0.004","616.8","0.4","293","2","293","2","1","","","","","","","3","P -1","-P 1","2","3-Hydroxy-1,2-dimethoxyxanthone","3-Hydroxy-1,2-dimethoxy-9<i>H</i>-xanthen-9-one","","- C15 H12 O5 -","- C15 H12 O5 -","- C30 H24 O10 -","2","1","YK2009","Xiong, Hui-Ping; Wu, Zhi-Jun; Chen, Fa-Tang; Chen, Dong-Sheng","3-Hydroxy-1,2-dimethoxyxanthone","Acta Crystallographica Section E","2011","67","7","o1667","","10.1107/S160053681102160X","","","0.71073","MoKα","","0.0734","0.0634","","","0.1772","0.1895","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230945","7.5905","0.0017","7.9958","0.0017","10.398","0.002","95.206","0.003","92.922","0.003","115.109","0.002","566.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]ethane","","- C6 H10 N8 S2 -","- C6 H10 N8 S2 -","- C12 H20 N16 S4 -","2","1","YK2010","Li, Chun-Rong; Chen, Tao; Xia, Zheng-Qiang","Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]ethane","Acta Crystallographica Section E","2011","67","7","o1669","","10.1107/S1600536811021957","","","0.71073","MoKα","","0.0652","0.0467","","","0.1152","0.1347","","","","","","1.391","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230946","12.5715","0.0006","8.7648","0.0004","11.5828","0.0005","90","","92.142","0.004","90","","1275.38","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5,5-Dioxido-10<i>H</i>-phenothiazin-10-yl)ethanone","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C56 H44 N4 O12 S4 -","4","1","YK2011","Siddegowda, M. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.","1-(5,5-Dioxido-10<i>H</i>-phenothiazin-10-yl)ethanone","Acta Crystallographica Section E","2011","67","7","o1702","","10.1107/S1600536811021854","","","0.71073","MoKα","","0.0421","0.0362","","","0.0979","0.1026","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230947","5.648","0.0002","9.99","0.0003","11.207","0.0003","88.808","0.001","83.098","0.001","87.914","0.001","627.25","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-(1,2-Dihydro-2-oxopyridin-3-yl)-1,3-benzothiazol-3-ium bromide monohydrate","","- C12 H11 Br N2 O2 S -","- C12 H11 Br N2 O2 S -","- C24 H22 Br2 N4 O4 S2 -","2","1","YK2012","Potgieter, Kim; Gerber, Thomas; Betz, Richard","2-(1,2-Dihydro-2-oxopyridin-3-yl)-1,3-benzothiazol-3-ium bromide monohydrate","Acta Crystallographica Section E","2011","67","7","o1697","","10.1107/S1600536811022847","","","0.71069","MoKα","","0.0163","0.0158","","","0.0411","0.0415","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230948","8.039","0.0016","20.003","0.004","9.271","0.0019","90","","111.39","0.03","90","","1388.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3,5-Dimethoxyphenyl)benzamide","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","ZJ2010","Li, Hong-Lei; Cui, Jiang-Tao","<i>N</i>-(3,5-Dimethoxyphenyl)benzamide","Acta Crystallographica Section E","2011","67","7","o1596","","10.1107/S1600536811019350","","","0.71073","MoKα","","0.0958","0.054","","","0.1385","0.1652","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230949","22.771","0.002","3.9889","0.0005","14.7848","0.0018","90","","92.401","0.012","90","","1341.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(4-Aminophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C60 H44 Cl8 N4 O4 -","4","1","ZJ2011","Singh, Shailja; Singh, Manavendra K.; Agarwal, Alka; Hussain, Firasat; Awasthi, Satish K.","(2<i>E</i>)-1-(4-Aminophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","7","o1616","o1617","10.1107/S1600536811020460","","","0.71073","MoKα","","0.0887","0.0568","","","0.1457","0.1591","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230950","8.3784","0.0003","10.1071","0.0004","10.7027","0.0004","102.489","0.002","103.977","0.002","96.026","0.002","846.77","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-(2-chloro-5,8-dimethoxyquinolin-3-yl)-2-cyanooxirane-2-carboxylate","","- C17 H15 Cl N2 O5 -","- C17 H15 Cl N2 O5 -","- C34 H30 Cl2 N4 O10 -","2","1","ZJ2015","Alliouche, Hayette; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","Ethyl 3-(2-chloro-5,8-dimethoxyquinolin-3-yl)-2-cyanooxirane-2-carboxylate","Acta Crystallographica Section E","2011","67","7","o1754","o1755","10.1107/S1600536811023336","","","0.71073","MoKα","","0.0546","0.0488","","","0.1354","0.1413","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230951","6.4963","0.0018","13.306","0.004","20.89","0.006","90","","95.651","0.004","90","","1797","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-(3,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-1-morpholinoprop-2-en-1-one","","- C21 H22 F N O4 -","- C21 H22 F N O4 -","- C84 H88 F4 N4 O16 -","4","1","ZK2011","Chai, Baoshan; Liu, Changling","(<i>Z</i>)-3-(3,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-1-morpholinoprop-2-en-1-one","Acta Crystallographica Section E","2011","67","7","o1780","","10.1107/S1600536811022008","","","0.71073","MoKα","","0.077","0.0621","","","0.1091","0.115","","","","","","1.192","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230952","16.472","0.002","16.11","0.002","14.6756","0.0019","90","","107.049","0.002","90","","3723.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-Amino-3,5-dichlorophenyl)ethanol","","- C8 H9 Cl2 N O -","- C8 H9 Cl2 N O -","- C128 H144 Cl32 N16 O16 -","16","2","ZK2012","Liu, Peng; Wu, Jian-Feng; Wang, Ping-An; He, Wei; Wang, Hai-Bo","1-(4-Amino-3,5-dichlorophenyl)ethanol","Acta Crystallographica Section E","2011","67","7","o1839","","10.1107/S1600536811024196","","","0.71073","MoKα","","0.0387","0.0323","","","0.121","0.1279","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230953","20.272","0.004","10.22","0.002","7.3727","0.0015","90","","90","","90","","1527.5","0.5","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dimethylammonium bis(4-methylmorpholin-4-ium) tetrachloridozincate","","- C7 H20 Cl4 N2 O Zn -","- C7 H20 Cl4 N2 O Zn -","- C28 H80 Cl16 N8 O4 Zn4 -","4","0.5","ZK2013","Zhang, Yan-wei; Wang, Yan-fei","Dimethylammonium bis(4-methylmorpholin-4-ium) tetrachloridozincate","Acta Crystallographica Section E","2011","67","7","m1009","","10.1107/S1600536811025049","","","0.71073","MoKα","","0.0349","0.0303","","","0.0703","0.0723","","","","","","1.144","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230954","7.9357","0.0004","10.231","0.0004","18.6041","0.0009","90","","91.017","0.004","90","","1510.23","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-(Ethane-1,2-diyl)dipyridinium bis(iodate)","","- C12 H14 I2 N2 O6 -","- C12 H14 I2 N2 O6 -","- C48 H56 I8 N8 O24 -","4","1","ZL2372","Gholizadeh, Mostafa; Maleki, Behrooz; Pourayoubi, Mehrdad; Kia, Mehdi; Notash, Behrouz","1,1'-(Ethane-1,2-diyl)dipyridinium bis(iodate)","Acta Crystallographica Section E","2011","67","7","o1614","o1615","10.1107/S1600536811020927","","","0.71073","MoKα","","0.0435","0.0265","","","0.0508","0.0542","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230955","6.3337","0.0003","8.9449","0.0004","12.1157","0.0005","73.614","0.002","78.11","0.002","88.087","0.002","644.17","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-cyclopentylsulfinyl-2-methyl-1-benzofuran","","- C14 H15 Cl O2 S -","- C14 H15 Cl O2 S -","- C28 H30 Cl2 O4 S2 -","2","1","ZL2373","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-Chloro-3-cyclopentylsulfinyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","7","o1557","","10.1107/S1600536811019775","","","0.71073","MoKα","","0.049","0.0397","","","0.0992","0.1051","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230956","8.1485","0.0009","9.7929","0.0009","12.1234","0.0013","98.707","0.009","96.387","0.009","94.792","0.009","945.36","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Methylphenyl)-1-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol- 4-yl)propan-1-one","","- C22 H22 N2 O Se -","- C22 H22 N2 O Se -","- C44 H44 N4 O2 Se2 -","2","1","ZL2374","Muthukumaran, J.; Nishandhini, M.; Chitra, S.; Manisankar, P.; Bhattacharya, Suman; Muthusubramanian, S.; Krishna, R.; Jeyakanthan, J.","3-(4-Methylphenyl)-1-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4-yl)propan-1-one","Acta Crystallographica Section E","2011","67","7","o1660","o1661","10.1107/S160053681102174X","","","0.71073","MoKα","","0.058","0.0369","","","0.0879","0.0997","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230957","7.151","0.0006","19.8082","0.00018","13.5061","0.00012","90","","90","","90","","1913.12","0.16","298","2","298","2","","","","","","","","4","I b c a","-I 2b 2c","73","Oxonium picrate","Oxonium 2,4,6-trinitrophenolate","","- C6 H5 N3 O8 -","- C6 H5 N3 O8 -","- C48 H40 N24 O64 -","8","0.5","ZL2375","Jin, Shou-Wen; Chen, Bing-Xia; Ge, Yu-Shuang; Yin, Hua-Bing; Fang, Yu-Ping","Oxonium picrate","Acta Crystallographica Section E","2011","67","7","o1694","","10.1107/S1600536811022574","","","0.71073","MoKα","","0.0585","0.0438","","","0.1213","0.14","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230958","12.0278","0.0004","11.591","0.0003","9.5566","0.0003","90","","90","","90","","1332.33","0.07","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(Naphthalen-1-ylamino)cyclohexanol","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","ZL2377","Outouch, Rachid; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado","2-(Naphthalen-1-ylamino)cyclohexanol","Acta Crystallographica Section E","2011","67","7","o1628","","10.1107/S1600536811021714","","","1.54178","CuKα","","0.0302","0.0297","","","0.086","0.0867","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230959","11.7539","0.0003","6.8304","0.0002","11.8585","0.0003","90","","101.328","0.002","90","","933.5","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>Z</i>)-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]- 2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan- 9(1a<i>H</i>)-one","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C38 H58 N2 O10 -","2","1","ZL2378","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; El Ammari, Lahcen; Akssira, Mohamed; Elhakmaoui, Ahmed","(<i>Z</i>)-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-9(1a<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1698","o1699","10.1107/S1600536811022616","","","0.71073","MoKα","","0.0349","0.0327","","","0.0913","0.0947","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230960","5.6584","0.001","7.961","0.0012","19.808","0.004","90","","91.968","0.006","90","","891.8","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,6-Anhydro-1,3-di-<i>O</i>-benzyl-D-mannitol","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","ZL2379","de Siqueira, Edmilson Clarindo; Doboszewski, Bogdan; McGarrah, James; Nazarenko, Alexander Y.","2,6-Anhydro-1,3-di-<i>O</i>-benzyl-<small>D</small>-mannitol","Acta Crystallographica Section E","2011","67","7","o1653","o1654","10.1107/S1600536811022306","","","0.71073","MoKα","","0.0418","0.0348","","","0.0787","0.0815","","","","","","0.985","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230961","8.173","0.0016","11.646","0.002","15.124","0.003","82.43","0.03","83.98","0.03","80.14","0.03","1400.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","7-Fluoro-2-(prop-2-en-1-ylsulfanyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)- 4<i>H</i>-thiochromen-4-one","","- C14 H10 F N3 O S2 -","- C14 H10 F N3 O S2 -","- C56 H40 F4 N12 O4 S8 -","4","2","ZQ2103","Liu, Dong-liang; Xiao, Tao; Li, Yang; Yu, Guang-yan; Li, Chen","7-Fluoro-2-(prop-2-en-1-ylsulfanyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)-4<i>H</i>-thiochromen-4-one","Acta Crystallographica Section E","2011","67","7","o1777","","10.1107/S1600536811022665","","","0.71073","MoKα","","0.1174","0.0685","","","0.1542","0.1756","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230962","5.6329","0.00013","8.36405","0.00015","25.4014","0.0005","90","","90","","90","","1196.76","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-Didehydro-5-hydroxy-1,2-<i>O</i>-isopropylidene-5-<i>C</i>-nitromethyl- α-D-glucofuranose","","- C10 H15 N O7 -","- C10 H15 N O7 -","- C40 H60 N4 O28 -","4","1","ZQ2104","Zhang, Qiurong; Li, Pan; Chen, Xuebin; Wang, Xiandong; Liu, Hongmin","3,6-Didehydro-5-hydroxy-1,2-<i>O</i>-isopropylidene-5-<i>C</i>-nitromethyl-α-<small>D</small>-glucofuranose","Acta Crystallographica Section E","2011","67","7","o1673","","10.1107/S160053681102191X","","","1.54184","CuKα","","0.0542","0.0528","","","0.1626","0.1646","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230963","21.9","0.02","10.023","0.011","20.52","0.02","90","","103.759","0.01","90","","4375","8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-benzoato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(benzoato-κ^2^O,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium]","","- C52 H36 Cd2 N4 O8 -","- C52 H36 Cd2 N4 O8 -","- C208 H144 Cd8 N16 O32 -","4","0.5","ZQ2105","Li, Hong-Jin; Gao, Zhu-Qing; Gu, Jin-Zhong","Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium]","Acta Crystallographica Section E","2011","67","7","m919","","10.1107/S1600536811022185","","","0.71073","MoKα","","0.0616","0.0399","","","0.0819","0.0931","","","","","","1.121","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230964","40.381","0.013","5.0598","0.0016","7.168","0.002","90","","90","","90","","1464.6","0.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]-4- nitrobenzohydrazide","","- C15 H12 Br N3 O4 -","- C15 H12 Br N3 O4 -","- C60 H48 Br4 N12 O16 -","4","1","ZQ2106","Zheng, Chang-Zheng; Wang, Liang; Liu, Juan; Wang, Yu-Jie","<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]-4-nitrobenzohydrazide","Acta Crystallographica Section E","2011","67","7","o1809","","10.1107/S1600536811023609","","","0.71073","MoKα","","0.0604","0.0489","","","0.1469","0.1567","","","","","","0.945","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230965","7.8323","0.0004","10.0657","0.0006","11.2335","0.0007","78.849","0.005","86.02","0.005","77.538","0.005","848.08","0.09","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-1-[(2-ethyl-1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>- benzotriazole}bis(iodidocadmium)","","- C24 H26 Cd2 I4 N10 -","- C24 H26 Cd2 I4 N10 -","- C24 H26 Cd2 I4 N10 -","1","0.5","ZQ2107","Wang, Xia; Niu, Jun-long","Bis{μ-1-[(2-ethyl-1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzotriazole}bis(iodidocadmium)","Acta Crystallographica Section E","2011","67","7","m882","","10.1107/S1600536811021179","","","0.7107","MoKα","","0.0334","0.0265","","","0.0581","0.0613","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230966","13.0115","0.0015","13.0115","0.0015","9.4142","0.0013","90","","90","","120","","1380.3","0.3","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Tris(6-carboxypyridine-2-carboxylato)terbium(III) 2.75-hydrate","","- C21 H17.5 N3 O14.75 Tb -","- C21 H9 N3 O13.5 Tb -","- C42 H18 N6 O27 Tb2 -","2","0.333333","ZS2104","Zebret, Soumaila; Besnard, Céline; Hamacek, Josef","Tris(6-carboxypyridine-2-carboxylato)terbium(III) 2.75-hydrate","Acta Crystallographica Section E","2011","67","7","m968","m969","10.1107/S1600536811024135","","","0.71073","MoKα","","0.0409","0.0366","","0.0818","0.08","0.0818","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230967","7.052","0.008","17.862","0.016","9.715","0.008","90","","111.158","0.009","90","","1141.2","1.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-Bis(4<i>H</i>-1,2,4-triazol-4-yl)pyridine dihydrate","","- C9 H11 N7 O2 -","- C9 H11 N7 O2 -","- C36 H44 N28 O8 -","4","2","ZS2114","Liu, Shang Yuan; Wang, Ying","2,6-Bis(4<i>H</i>-1,2,4-triazol-4-yl)pyridine dihydrate","Acta Crystallographica Section E","2011","67","7","o1631","","10.1107/S1600536811022215","","","0.71073","MoKα","","0.0455","0.0355","","","0.0884","0.0935","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230968","8.4455","0.0018","15.787","0.004","16.778","0.004","110.854","0.019","99.53","0.02","100.76","0.02","1987","0.9","295","2","295","2","","","","","","","","6","P -1","-P 1","2","(15-Crown-5)[<i>S</i>-(<i>E</i>)-1,2-dichlorovinyl thiosulfato- κ<i>O</i>]sodium","[<i>S</i>-(<i>E</i>)-1,2-dichlorovinyl thiosulfato- κ<i>O</i>](1,4,7,10,13-pentaoxacyclopentadecane)sodium","","- C12 H21 Cl2 Na O8 S2 -","- C12 H21 Cl2 Na O8 S2 -","- C48 H84 Cl8 Na4 O32 S8 -","4","2","ZS2116","Sun, Dong-Qing; Yang, Jing-Kui","(15-Crown-5-κ^5^<i>O</i>)[<i>S</i>-(<i>E</i>)-1,2-dichlorovinyl thiosulfato-κ<i>O</i>]sodium","Acta Crystallographica Section E","2011","67","7","m934","","10.1107/S1600536811022252","","","0.71073","MoKα","","0.081","0.059","","","0.1104","0.1195","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230969","11.0367","0.0011","11.3664","0.0011","12.5702","0.0012","80.378","0.008","79.764","0.008","82.011","0.008","1520.2","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","2-Amino-3,4,5,6-tetrafluorobenzoic acid","","- C7 H3 F4 N O2 -","- C7 H3 F4 N O2 -","- C56 H24 F32 N8 O16 -","8","4","ZS2117","Liao, Xiao-Jian; Guo, Wei; Xu, Shi-Hai","2-Amino-3,4,5,6-tetrafluorobenzoic acid","Acta Crystallographica Section E","2011","67","7","o1732","","10.1107/S1600536811023087","","","1.5418","CuKα","","0.0745","0.0566","","","0.1585","0.1774","","","","","","1.051","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2230970","7.0228","0.0004","8.7021","0.0005","11.5668","0.0009","80.281","0.006","76.362","0.006","70.662","0.005","645.01","0.08","150","2","150","","","","","","","","","4","P -1","-P 1","2","","5-(1<i>H</i>-Indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","ZS2118","He, Yu-Xin; Wu, Jin-Wei; Tong, Rong-Sheng; Li, Jin-Qi; Shi, Jian-You","5-(1<i>H</i>-Indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2011","67","7","o1835","","10.1107/S1600536811023944","","","0.7107","MoKα","","0.0543","0.0405","","","0.0913","0.099","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230971","12.3045","0.0011","11.055","0.001","14.2435","0.0013","90","","113.683","0.001","90","","1774.3","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[2-(4-methoxyphenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","ZS2122","Bustos, Carlos; Alvarez-Thon, Luis; Barría, Daniela; Cárcamo, Juan-Guillermo; Garland, Maria Teresa","A second monoclinic polymorph of 2-[2-(4-methoxyphenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","Acta Crystallographica Section E","2011","67","7","o1830","o1831","10.1107/S1600536811024445","","","0.71073","MoKα","","0.0476","0.0391","","","0.099","0.1051","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230972","4.3359","0.0008","7.07","0.001","7.774","0.001","90","","90","","90","","238.31","0.06","290","1","290","1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","disilver(I) selenide","","- Ag2 Se -","- Ag2 Se -","- Ag8 Se4 -","4","1","WM2506","Jaemin Yu; Hoseop Yun","Reinvestigation of the low-temperature form of Ag~2~Se (naumannite) based on single-crystal data","Acta Crystallographica, Section E","2011","67","9","i45","i45","10.1107/S1600536811028534","","","0.71073","MoKα","","","0.0311","","","","0.0799","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230973","13.3549","0.0006","8.3893","0.0004","10.4927","0.0005","90","","101.658","0.002","90","","1151.33","0.09","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Manganese(II) octauranium(IV) heptadecasulfide","","- Mn S17 U8 -","- Mn S17 U8 -","- Mn2 S34 U16 -","2","0.25","WM2512","Oh, George N.; Ibers, James A.","Manganese(II) octauranium(IV) heptadecasulfide","Acta Crystallographica, Section E","2011","67","9","i46","i46","10.1107/S1600536811030546","","","0.71073","MoKα","","0.0268","0.0259","","","0.0677","0.0679","","","","","","2.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230974","8.5405","0.0005","8.5405","0.0005","10.8094","0.0009","90","","90","","120","","682.81","0.08","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","tricalcium manganese bis(sulfate) hexahydroxide trihydrate","","- Ca3 H12 Mn O17 S2 -","- Ca3 H12 Mn O17 S2 -","- Ca6 H24 Mn2 O34 S4 -","2","0.166667","WM2518","Barkley, Madison C.; Yang, Hexiong; Evans, Stanley H.; Downs, Robert T.; Origlieri, Marcus J.","Redetermination of despujolsite, Ca~3~Mn^4+^(SO~4~)~2~(OH)~6~.3H~2~O","Acta Crystallographica, Section E","2011","67","9","i47","i48","10.1107/S1600536811030911","","","0.71073","MoKα","","0.0312","0.0235","","","0.0459","0.048","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230975","12.0344","0.0005","8.5795","0.0005","8.6794","0.0004","90","","90","","90","","896.14","0.08","290","1","290","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","dilithium dititanium(III/IV) tris(orthophosphate)","","- Li2 O12 P3 Ti2 -","- Li2 O12 P3 Ti2 -","- Li8 O48 P12 Ti8 -","4","0.5","WM2513","Kee, Yongho; Lee, Seoung-Soo; Yun, Hoseop","The mixed-valent titanium phosphate, Li~2~Ti~2~(PO~4~)~3~, dilithium dititanium(III/IV) tris(orthophosphate)","Acta Crystallographica, Section E","2011","67","9","i49","i49","10.1107/S1600536811031606","","","0.71073","MoKα","","","0.0464","","","","0.1122","","","","","","1.373","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230976","7.293","0.0007","21.24","0.002","9.8123","0.0011","90","","104.907","0.001","90","","1468.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(2-methyl-1<i>H</i>-benzimidazolium- 1,3-diacetato-κ<i>O</i>)cobalt(II) tetrahydrate","","- C24 H38 Co N4 O16 -","- C24 H38 Co N4 O16 -","- C48 H76 Co2 N8 O32 -","2","0.5","HY2449","Feng, Xiu-Ling; Zhang, Yu-Ping","\ Tetraaquabis(2-methyl-1<i>H</i>-benzimidazolium-1,3-diacetato-κ<i>O</i>)\ cobalt(II) tetrahydrate","Acta Crystallographica, Section E","2011","67","9","m1170","m1170","10.1107/S1600536811029059","","","0.71073","MoKα","","0.058","0.0406","","","0.0946","0.1027","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230977","9.2239","0.0009","10.92","0.001","11.9441","0.0012","71.578","0.001","70.582","0.001","73.931","0.002","1056.48","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-imidazole- κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C19 H14 Co N8 O S2 -","- C19 H14 Co N8 O S2 -","- C38 H28 Co2 N16 O2 S4 -","2","1","QM2016","Feng, Xiu-Ling; Zhang, Yu-Ping","\ (4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-imidazole-\ κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica, Section E","2011","67","9","m1171","m1171","10.1107/S1600536811029060","","","0.71073","MoKα","","0.1144","0.0624","","","0.1478","0.1915","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230978","8.3381","0.0001","8.3381","0.0001","23.5508","0.0003","90","","90","","120","","1417.98","0.03","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","Potassium ditin(IV) tris[phosphate(V)]","","- K O12 P3 Sn2 -","- K O12 P3 Sn2 -","- K6 O72 P18 Sn12 -","6","0.333333","FI2111","Zhang, Hui Ju","Potassium ditin(IV) tris[phosphate(V)], KSn~2~(PO~4~)~3~","Acta Crystallographica, Section E","2011","67","10","i51","i51","10.1107/S1600536811035604","","","0.71073","MoKα","","0.0536","0.0532","","","0.1366","0.137","","","","","","1.237","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230979","6.4204","0.0005","7.8489","0.0004","9.4315","0.0005","104.442","0.003","108.505","0.005","101.189","0.008","416.7","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","magnesium hydrogen phosphate","Heptamagnesium bis(phosphate) tetrakis(hydrogen phosphate)","","- H4 Mg7 O24 P6 -","- H4 Mg7 O24 P6 -","- H4 Mg7 O24 P6 -","1","0.5","BT5638","Assani, Abderrazzak; Saadi, Mohamed; Zriouil, Mohammed; El Ammari, Lahcen","Heptamagnesium bis(phosphate) tetrakis(hydrogen phosphate) with strong hydrogen bonds: Mg~7~(PO~4~)~2~(HPO~4~)~4~","Acta Crystallographica, Section E","2011","67","10","i52","i52","10.1107/S1600536811036361","","","0.71073","MoKα","","0.0304","0.0259","","","0.0691","0.0718","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230980","11.909","0.003","11.909","0.003","22.888","0.005","90","","90","","90","","3246.1","1.4","150","2","150","2","","","","","","","","3","I 4/m","-I 4","87","","undecabarium tetralanthanum tetratricontabromide","","- Ba11 Br34 La4 -","- Ba11 Br34 La4 -","- Ba22 Br68 La8 -","2","0.125","RU2009","Eagleman, Yetta; Wu, Guang; Gundiah, Gautam; Bourret-Courchesne, Edith; Derenzo, Stephen","Ba~11~La~4~Br~34~: a new barium lanthanum bromide","Acta Crystallographica, Section E","2011","67","10","i53","i54","10.1107/S1600536811037354","","","0.71073","MoKα","","0.0719","0.0494","","","0.1111","0.1178","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230981","7.1581","0.0014","4.2853","0.0015","7.7536","0.0009","90","","90","","90","","237.84","0.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Calcium aluminium platinum","","- Al Ca Pt -","- Al Ca Pt -","- Al4 Ca4 Pt4 -","4","0.5","WM2532","Kenfack Tsobnang, Patrice; Fotio, Daniel; Ponou, Siméon; Fon Abi, Charles","Calcium platinum aluminium, CaPtAl","Acta Crystallographica, Section E","2011","67","10","i55","i55","10.1107/S1600536811036749","","","0.71073","MoKα","","0.0373","0.028","","","","0.0641","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230982","9.798","0.0008","9.798","0.0008","9.798","0.0008","90","","90","","90","","940.62","0.13","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dipotassium aluminium tin(IV) tris[phosphate(V)]","","- Al K2 O12 P3 Sn -","- Al K2 O12 P3 Sn -","- Al4 K8 O48 P12 Sn4 -","4","0.333333","FI2112","Li, Hai-Yan; Zhao, Dan","A new langbeinite-type phosphate: K~2~AlSn(PO~4~)~3~","Acta Crystallographica, Section E","2011","67","10","i56","i56","10.1107/S1600536811037263","","","0.71073","MoKα","","0.0308","0.0287","","","0.0735","0.074","","","","","","1.179","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230983","9.4823","0.0008","9.8136","0.0008","11.4929","0.0011","68.425","0.001","83.821","0.001","67.538","0.001","918.42","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ-3,5-dinitrobenzoato)(μ-3,5-dinitrobenzoic acid)rubidium]","","- C14 H7 N4 O12 Rb -","- C14 H7 N4 O12 Rb -","- C28 H14 N8 O24 Rb2 -","2","1","AA2010","Miao, Yanqing; Fan, Tao","Poly[(μ-3,5-dinitrobenzoato)(μ-3,5-dinitrobenzoic acid)rubidium]","Acta Crystallographica Section E","2011","67","8","m1040","","10.1107/S160053681102513X","","","0.71073","MoKα","","0.0372","0.0296","","","0.0765","0.0791","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230984","9.415","0.003","10.615","0.003","12.037","0.003","95.092","0.003","98.156","0.004","109.833","0.003","1108","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","5'-Methylsulfanyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'<i>H</i>- spiro[cyclohexane-1,2'-quinazoline]-8'-carbonitrile dimethylformamide monosolvate","","- C24 H28 N4 O2 S -","- C24 H28 N4 O2 S -","- C48 H56 N8 O4 S2 -","2","1","AA2012","Liu, Xuan; Shi, Daxin; Tang, Jianhong; Yang, Deli; Li, Jiarong","5'-Methylsulfanyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'<i>H</i>-spiro[cyclohexane-1,2'-quinazoline]-8'-carbonitrile dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","8","o2016","","10.1107/S1600536811026948","","","0.71073","MoKα","","0.0711","0.0471","","","0.1064","0.1169","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230985","8.182","0.002","10.549","0.004","34.179","0.009","90","","90","","90","","2950.1","1.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Propane-1,3-diyl)bis(2<i>H</i>-indazole)","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","AA2015","Ovalle, Saúl; Bernès, Sylvain; Pérez Rodríguez, Nancy; Elizondo Martínez, Perla","2,2'-(Propane-1,3-diyl)bis(2<i>H</i>-indazole)","Acta Crystallographica Section E","2011","67","8","o2144","","10.1107/S1600536811029011","","","0.71073","MoKα","","0.0894","0.0488","","","0.119","0.1619","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230986","5.1411","0.0004","26.473","0.002","7.296","0.0007","90","","109.564","0.003","90","","935.66","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Iodophenoxy)acetamide","","- C8 H8 I N O2 -","- C8 H8 I N O2 -","- C32 H32 I4 N4 O8 -","4","1","AA2016","Betz, Richard; McCleland, Cedric; Glover, Stephen","2-(4-Iodophenoxy)acetamide","Acta Crystallographica Section E","2011","67","8","o1928","","10.1107/S1600536811025840","","","0.71073","MoKα","","0.0695","0.0637","","","0.1184","0.1204","","","","","","1.29","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230987","13.479","0.003","10.314","0.002","18.39","0.007","90","","116.06","0.02","90","","2296.7","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,5-bis[2-(4-methylphenyl)ethynyl]benzyl methacrylate","2,5-Bis[2-(4-methylphenyl)ethynyl]benzyl 2-methylpropenoate","","- C29 H24 O2 -","- C29 H24 O2 -","- C116 H96 O8 -","4","1","AA2017","Zhang, Zhen-Lin; Zhang, Hai-Quan","2,5-Bis[2-(4-methylphenyl)ethynyl]benzyl methacrylate","Acta Crystallographica Section E","2011","67","8","o2168","","10.1107/S1600536811029631","","","0.71073","MoKα","","0.0809","0.0517","","","0.1478","0.1622","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230988","7.4608","0.0005","13.8212","0.001","17.8629","0.0013","90","","90.451","0.001","90","","1841.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-1,4-bis(1<i>H</i>-imidazol-4-yl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-methylisophthalato- κ^2^<i>O</i>^1^:<i>O</i>^3^)cobalt(II)]","","- C21 H16 Co N4 O4 -","- C21 H16 Co N4 O4 -","- C84 H64 Co4 N16 O16 -","4","1","BG2404","Chen, Shui-Sheng; Yang, Sen-Lin; Zhang, Shu-Ping","Poly[[μ-1,4-bis(1<i>H</i>-imidazol-4-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-methylisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)cobalt(II)]","Acta Crystallographica Section E","2011","67","8","m1031","m1032","10.1107/S1600536811025657","","","0.71073","MoKα","","0.042","0.031","","","0.0856","0.0997","","","","","","1.124","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230989","7.63534","0.00019","11.7583","0.0002","9.9234","0.0003","90","","105.775","0.003","90","","857.35","0.04","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(8a<i>RS</i>)-8,8a-Dihydrofuro[3,2-<i>f</i>]indolizine- 6,9(4<i>H</i>,7<i>H</i>)-dione","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","BG2407","Vrábel, Viktor; Sivý, Július; Švorc, Łubomír; Šafář, Peter; Marchalín, Štefan","(8a<i>RS</i>)-8,8a-Dihydrofuro[3,2-<i>f</i>]indolizine-6,9(4<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","8","o2035","","10.1107/S1600536811027383","","","0.71073","MoKα","","0.0564","0.0402","","","0.1127","0.1199","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230990","6.9845","0.0005","10.0632","0.0007","10.3361","0.0006","109.204","0.006","103.251","0.005","101.015","0.006","639.12","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","3-Hydroxy-4-(3-hydroxyphenyl)-2-quinolone monohydrate","3-hydroxy-4-(3-hydroxyphenyl)-1<i>H</i>-quinolin-2-one monohydrate","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","BG2408","Tao, Yi-Wen; Wang, Yun","3-Hydroxy-4-(3-hydroxyphenyl)-2-quinolone monohydrate","Acta Crystallographica Section E","2011","67","8","o2195","o2196","10.1107/S160053681102945X","","","1.54178","CuKα","","0.0461","0.0417","","","0.121","0.1315","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230991","9.793","0.003","10.885","0.003","12.453","0.003","97.567","0.004","102.608","0.004","95.653","0.004","1273","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~7~-biphenyl-3,3',4,4'-tetracarboxylato)(1,10- phenanthroline)dicobalt(II)] monohydrate]","","- C28 H20 Co2 N2 O11 -","- C28 H20 Co2 N2 O11 -","- C56 H40 Co4 N4 O22 -","2","1","BG2411","Yin, Hailiang; Yin, Fengjuan; Lu, Yukun","Poly[[aqua(μ~7~-biphenyl-3,3',4,4'-tetracarboxylato)(1,10-phenanthroline)dicobalt(II)] monohydrate]","Acta Crystallographica Section E","2011","67","8","m1118","","10.1107/S1600536811028224","","","0.71073","MoKα","","0.0872","0.0524","","","0.1007","0.113","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230992","23.208","0.005","9.08","0.005","20.22","0.005","90","0.005","92.414","0.005","90","0.005","4257","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","bis(di(<i>p</i>-methoxyphenyl)phosphino)-1,2-dimethylhydrazine di(goldchloride)","{μ-1,2-Bis[bis(4-methoxyphenyl)phosphanyl]-1,2-dimethylhydrazine- κ^2^<i>P</i>:<i>P</i>'}bis[chloridogold(I)] tetrahydrofuran disolvate","","- C38 H50 Au2 Cl2 N2 O6 P2 -","- C38 H50 Au2 Cl2 N2 O6 P2 -","- C152 H200 Au8 Cl8 N8 O24 P8 -","4","0.5","BG2412","Kriel, Frederik H.; Fernandes, Manuel A.; Coates, Judy","{μ-1,2-Bis[bis(4-methoxyphenyl)phosphanyl]-1,2-dimethylhydrazine-κ^2^<i>P</i>:<i>P</i>'}bis[chloridogold(I)] tetrahydrofuran disolvate","Acta Crystallographica Section E","2011","67","8","m1163","","10.1107/S1600536811028856","","","0.71073","MoKα","","0.0249","0.0193","","","0.046","0.0486","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230993","18.6831","0.0004","9.2037","0.0002","18.5999","0.0004","90","","90","","90","","3198.32","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetraethylammonium tri-μ-phenolato-bis[tricarbonylmanganate(I)]","","- C32 H35 Mn2 N O9 -","- C32 H35 Mn2 N O9 -","- C128 H140 Mn8 N4 O36 -","4","1","BG2415","McNeese, Timothy J.; Pike, Robert D.","Tetraethylammonium tri-μ-phenolato-bis[tricarbonylmanganate(I)]","Acta Crystallographica Section E","2011","67","8","m1150","","10.1107/S1600536811029266","","","1.54178","CuKα","","0.0341","0.0329","","","0.0833","0.0843","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230994","12.491","0.005","12.155","0.005","14.466","0.005","90","","90","","90","","2196.3","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","gamma-fagarine","4,8-Dimethoxyfuro[2,3-b]quinoline","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","BH2360","Liu, Yong; Wei, Kou; Yang, Jianshe","4,8-Dimethoxyfuro[2,3-<i>b</i>]quinoline (γ-fagarine)","Acta Crystallographica Section E","2011","67","8","o1907","","10.1107/S1600536811025062","","","0.71073","MoKα","","0.0828","0.0444","","","0.1032","0.1285","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230995","18.0155","0.0003","7.6776","0.0001","18.1506","0.0004","90","","109.324","0.001","90","","2369.08","0.07","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","(9<i>S</i>,13<i>R</i>,14<i>S</i>)-7,8-Didehydro-4-(4-fluorobenzyloxy)-3,7- dimethoxy-17-methylmorphinan-6-one sesquihydrate","","- C26 H31 F N O5.5 -","- C26 H31 F N O5.5 -","- C104 H124 F4 N4 O22 -","4","1","BH2361","Zheng, Xing-Liang; Jiang, Ning-Fei; Luo, Dan; Gao, Hong-Sheng; Ding, Ai-Shun","(9<i>S</i>,13<i>R</i>,14<i>S</i>)-7,8-Didehydro-4-(4-fluorobenzyloxy)-3,7-dimethoxy-17-methylmorphinan-6-one sesquihydrate","Acta Crystallographica Section E","2011","67","8","o1988","","10.1107/S1600536811026183","","","1.54178","CuKα","","0.0282","0.0281","","","0.0807","0.0809","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230996","19.3683","0.0015","7.3026","0.0006","17.517","0.0014","90","","104.167","0.001","90","","2402.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-Dimethyl-1,1'-(propane-1,3-diyl)diimidazol-1-ium bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","","- C19 H18 N8 Ni S4 -","- C19 H18 N8 Ni S4 -","- C76 H72 N32 Ni4 S16 -","4","0.5","BH2362","Yu, Shan-Shan; Duan, Hai-Bao; Ren, Xiao-Ming","3,3'-Dimethyl-1,1'-(propane-1,3-diyl)diimidazol-1-ium bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","Acta Crystallographica Section E","2011","67","8","m1117","","10.1107/S1600536811027693","","","0.71073","MoKα","","0.0432","0.0366","","","0.0957","0.1006","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230997","8.9076","0.0018","6.6025","0.0013","11.778","0.002","90","","102.85","0.03","90","","675.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Cyclohexylammonium 4-methoxybenzoate","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C28 H42 N2 O6 -","2","1","BH2364","Wei, Bin","Cyclohexylammonium 4-methoxybenzoate","Acta Crystallographica Section E","2011","67","8","o2185","","10.1107/S1600536811027127","","","0.71073","MoKα","","0.0493","0.0406","","","0.0915","0.0952","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230998","8.6612","0.0003","5.9156","0.0002","32.3008","0.001","90","","94.962","0.002","90","","1648.77","0.09","296","2","296","2","101","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-4-phenyl-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran-3-carboxylate","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C80 H68 N4 O12 S4 -","4","1","BH2365","Boughaleb, Adil; Zouihri, Hafid; Gmouh, Said; Kerbal, Abdelali; El yazidi, Mohamed","Ethyl 2-amino-4-phenyl-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran-3-carboxylate","Acta Crystallographica Section E","2011","67","8","o2106","","10.1107/S1600536811027152","","","0.71073","MoKα","","0.039","0.0335","","","0.0834","0.0862","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230999","7.8357","0.0016","8.9777","0.0018","12.618","0.003","76.48","0.03","77.59","0.03","73.2","0.03","815.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3-Bis(ethylsulfanyl)-1,4,5,8-tetrathiafulvalene-6,7-dicarbonitrile","","- C12 H10 N2 S6 -","- C12 H10 N2 S6 -","- C24 H20 N4 S12 -","2","1","BH2367","Hou, Rui-bin; Li, Dong-feng","2,3-Bis(ethylsulfanyl)-1,4,5,8-tetrathiafulvalene-6,7-dicarbonitrile","Acta Crystallographica Section E","2011","67","8","o2096","","10.1107/S1600536811028601","","","0.71073","MoKα","","0.0375","0.031","","","0.0998","0.1085","","","","","","1.151","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231000","7.0344","0.0017","12.629","0.003","11.456","0.003","90","","99.951","0.006","90","","1002.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(<i>μ</i>-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole- <i>κ</i>^2^<i>N</i>^1^:<i>N</i>^2^)bis(dibromidozinc)","","- C8 H16 Br4 N8 Zn2 -","- C8 H16 Br4 N8 Zn2 -","- C16 H32 Br8 N16 Zn4 -","2","0.5","BH2370","Zhu, Xia; Guo, Ying; Li, Jian-Gang; Wu, Yao","Bis(<i>{μ</i>}-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole-<i>{κ</i>}^2^<i>N</i>^1^:<i>N</i>^2^)bis(dibromidozinc)","Acta Crystallographica Section E","2011","67","8","m1152","m1153","10.1107/S1600536811028789","","","0.7107","MoKα","","0.0675","0.052","","","0.1362","0.1483","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231001","11.911","0.0002","26.5332","0.0005","20.2756","0.0004","90","","91.256","0.002","90","","6406.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[<i>N</i>-(2-aminoethyl)ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) tris[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] thiocyanate dimethyl sulfoxide tetradecasolvate monohydrate","","- C57 H156 Cr3 Cu2 N31 O15 S27 -","- C57 H156 Cr3 Cu2 N31 O15 S27 -","- C114 H312 Cr6 Cu4 N62 O30 S54 -","2","0.5","BR2170","Nikitina, Vitalina M.; Nesterova, Oksana V.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Rusanova, Julia A.","Bis[<i>N</i>-(2-aminoethyl)ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) tris[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] thiocyanate dimethyl sulfoxide tetradecasolvate monohydrate","Acta Crystallographica Section E","2011","67","8","m1023","m1024","10.1107/S1600536811025980","","","0.71073","MoKα","","0.093","0.0484","","","0.1032","0.1267","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231002","9.3848","0.0006","9.3848","0.0006","15.8411","0.0018","90","","90","","120","","1208.28","0.18","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Silver diaquanickel(II) <i>catena</i>-borodiphosphate(V) hydrate","","- Ag0.57 B H5.33 Ni1.22 O10.67 P2 -","- Ag0.567 B H5.34 Ni1.2167 O10.67 P2 -","- Ag3.402 B6 H32.04 Ni7.3002 O64.02 P12 -","6","0.5","BR2172","Zouihri, Hafid; Saadi, Mohamed; Jaber, Boujemaa; El Ammari, Lahcen","Silver(I) diaquanickel(II) <i>catena</i>-borodiphosphate(V) hydrate, (Ag~0.57~Ni~0.22~)Ni(H~2~O)~2~[BP~2~O~8~]·0.67H~2~O","Acta Crystallographica Section E","2011","67","8","i44","","10.1107/S160053681102962X","","","0.71073","MoKα","","0.0306","0.0276","","","0.0696","0.071","","","","","","1.075","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231003","5.9017","0.0008","6.1949","0.0008","13.0758","0.0017","89.633","0.008","79.049","0.007","75.915","0.007","454.84","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Di-<i>tert</i>-butyl-2,2'-dipyridinium dichloride","","- C18 H26 Cl2 N2 -","- C18 H26 Cl2 N2 -","- C18 H26 Cl2 N2 -","1","0.5","BT5558","Amarante, Tatiana R.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","4,4'-Di-<i>tert</i>-butyl-2,2'-dipyridinium dichloride","Acta Crystallographica Section E","2011","67","8","o1903","o1904","10.1107/S1600536811025529","","","0.71073","MoKα","","0.1059","0.0827","","","0.1782","0.1882","","","","","","1.252","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231004","13.732","0.003","7.8522","0.0016","23.124","0.005","90","","90","","90","","2493.4","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4,6-Trimethylanilinium 2-carboxyethanoate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C96 H136 N8 O32 -","8","1","BT5560","Rong, Tao","2,4,6-Trimethylanilinium 2-carboxyethanoate","Acta Crystallographica Section E","2011","67","8","o1921","","10.1107/S1600536811025578","","","0.71073","MoKα","","0.1224","0.0653","","","0.1425","0.1664","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231005","13.3367","0.0006","12.6292","0.0005","17.123","0.0006","90","","90","","90","","2884.1","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one","","- C15 H12 Br N O2 S -","- C15 H12 Br N O2 S -","- C120 H96 Br8 N8 O16 S8 -","8","1","BT5562","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","2-(4-Bromophenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","8","o1902","","10.1107/S1600536811025281","","","0.71073","MoKα","","0.079","0.038","","","0.0767","0.0873","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231006","14.008","0.005","10.404","0.005","17.157","0.005","90","","110.148","0.005","90","","2347.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bromhexine-PTSA salt","<i>N</i>-(2-Amino-3,5-dibromobenzyl)-<i>N</i>-methylcyclohexan-1-aminium <i>p</i>-toluenesulfonate","","- C21 H28 Br2 N2 O3 S -","- C21 H28 Br2 N2 O3 S -","- C84 H112 Br8 N8 O12 S4 -","4","1","BT5564","Maste, Meenaxi M.; Mahapatra, Sudarshan; Ramachandran, Krishna Kumar; Venugopala, K. N.; Bhat, A. R.","<i>N</i>-(2-Amino-3,5-dibromobenzyl)-<i>N</i>-methylcyclohexan-1-aminium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2011","67","8","o2032","","10.1107/S1600536811027358","","","0.71073","MoKα","","0.1359","0.0472","","","0.0992","0.1139","","","","","","0.995","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231007","6.6643","0.0002","9.6834","0.0003","15.589","0.0005","90","","97.699","0.001","90","","996.94","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydrazinylidene-1-methyl-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C9 H11 N3 O2 S -","- C9 H11 N3 O2 S -","- C36 H44 N12 O8 S4 -","4","1","BT5565","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","4-Hydrazinylidene-1-methyl-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2011","67","8","o2038","","10.1107/S1600536811027577","","","0.71073","MoKα","","0.041","0.0356","","","0.105","0.1114","","","","","","0.926","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231008","8.0091","0.0003","12.2395","0.0006","16.3039","0.0007","90","","90","","90","","1598.23","0.12","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-[(<i>S</i>,<i>Z</i>)-3-Bromo-1-nitro-4-phenylbut-3-en- 2-yl]cyclohexanone","","- C16 H18 Br N O3 -","- C16 H18 Br N O3 -","- C64 H72 Br4 N4 O12 -","4","1","BT5566","Wu, Chao; Zhao, Long; Xia, Ai-Bao","(<i>S</i>)-2-[(<i>S</i>,<i>Z</i>)-3-Bromo-1-nitro-4-phenylbut-3-en-2-yl]cyclohexanone","Acta Crystallographica Section E","2011","67","8","o1939","","10.1107/S1600536811025633","","","0.71073","MoKα","","0.0861","0.037","","","0.0688","0.1136","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231009","19.753","0.001","8.335","0.001","20.395","0.002","90","","108.657","0.003","90","","3181.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Ethyl-4-methyl-<i>N</i>-(3-methylphenyl)benzenesulfonamide","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C128 H152 N8 O16 S8 -","8","2","BT5567","Ahmad, Saba; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Faryal, Komal; Akkurt, Mehmet","<i>N</i>-Ethyl-4-methyl-<i>N</i>-(3-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o1909","","10.1107/S160053681102589X","","","0.71073","MoKα","","0.1489","0.0599","","","0.1299","0.1725","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231010","7.5515","0.0004","14.225","0.0011","12.8825","0.0008","90","","103.091","0.007","90","","1347.88","0.16","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Bis(3-aminopropyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bis(thiocyanato- κ<i>N</i>)cobalt(II)","","- C8 H17 Co N5 S2 -","- C8 H17 Co N5 S2 -","- C32 H68 Co4 N20 S8 -","4","1","BT5568","Boeckmann, Jan; Näther, Christian","[Bis(3-aminopropyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2011","67","8","m1025","m1026","10.1107/S1600536811025876","","","0.71073","MoKα","","0.0325","0.0268","","","0.068","0.0704","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231011","11.829","0.001","16.351","0.001","13.351","0.001","90","","96.485","0.008","90","","2565.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2-Dimethyl-<i>N</i>-(2-methylphenylsulfonyl)acetamide","","- C11 H15 N O3 S -","- C11 H15 N O3 S -","- C88 H120 N8 O24 S8 -","8","2","BT5569","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","2,2-Dimethyl-<i>N</i>-(2-methylphenylsulfonyl)acetamide","Acta Crystallographica Section E","2011","67","8","o2055","","10.1107/S1600536811027838","","","0.71073","MoKα","","0.0721","0.0452","","","0.1159","0.1273","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231012","12.884","0.002","7.173","0.001","20.805","0.003","90","","90","","90","","1922.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorophenyl)succinimide","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C80 H64 Cl8 N8 O16 -","8","1","BT5570","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorophenyl)succinimide","Acta Crystallographica Section E","2011","67","8","o1977","","10.1107/S1600536811026845","","","0.71073","MoKα","","0.1335","0.0816","","","0.1213","0.1368","","","","","","1.326","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231013","17.092","0.005","7.152","0.004","20.322","0.005","90","","108.449","0.003","90","","2356.5","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Phenylimidazolium hemi(benzene-1,3-dicarboxylate) monohydrate","","- C26 H26 N4 O6 -","- C26 H26 N4 O6 -","- C104 H104 N16 O24 -","4","0.5","BT5571","Zhang, Wen-Yu; Zhu, Zhi-Hua; Du, Jian-Shi","2-Phenylimidazolium hemi(benzene-1,3-dicarboxylate) monohydrate","Acta Crystallographica Section E","2011","67","8","o2047","","10.1107/S160053681102681X","","","0.71073","MoKα","","0.0887","0.0673","","","0.1704","0.1944","","","","","","1.095","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2231014","9.8053","0.001","18.87","0.002","23.584","0.003","90","","90","","90","","4363.7","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[3-(Benzylamino)-2-hydroxypropyl]-2,6-di-<i>tert</i>-butylphenol","","- C24 H35 N O2 -","- C24 H35 N O2 -","- C192 H280 N8 O16 -","8","1","BT5572","Asgarova, Ayten R.; Allahverdiyev, Mirze A.; Khalilov, Ali. N.; Gurbanov, Atash V.; Brito, Iván","4-[3-(Benzylamino)-2-hydroxypropyl]-2,6-di-<i>tert</i>-butylphenol","Acta Crystallographica Section E","2011","67","8","o2024","","10.1107/S1600536811027115","","","0.71073","MoKα","","0.1169","0.0907","","","0.2224","0.2425","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231015","10.9974","0.0003","13.4095","0.0004","17.4434","0.0005","90","","105.103","0.002","90","","2483.52","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-5-(cyclohex-1-en-1-yl)-3-(4-methylphenylsulfonyl)-1- phenylimidazolidin-4-one","","- C28 H27 Cl N2 O3 S -","- C28 H27 Cl N2 O3 S -","- C112 H108 Cl4 N8 O12 S4 -","4","1","BT5573","Ranjith, S.; SakthiMurugesan, K.; SubbiahPandi, A.; Namitharan, K.; Pitchumani, K.","2-(4-Chlorophenyl)-5-(cyclohex-1-en-1-yl)-3-(4-methylphenylsulfonyl)-1-phenylimidazolidin-4-one","Acta Crystallographica Section E","2011","67","8","o2071","","10.1107/S1600536811028133","","","0.71073","MoKα","","0.0795","0.0471","","","0.1222","0.1394","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231016","17.462","0.001","13.0646","0.0009","9.1411","0.0006","90","","103.915","0.003","90","","2024.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,6,11-trioxo-2,3-dihydro-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-1,3-diacetate","","- C23 H20 N2 O7 -","- C23 H20 N2 O7 -","- C92 H80 N8 O28 -","4","1","BT5578","Afrakssou, Zahra; Haoudi, Amal; Capet, Frédéric; Rolando, Christian; El Ammari, Lahcen","Diethyl 2,6,11-trioxo-2,3-dihydro-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-1,3-diacetate","Acta Crystallographica Section E","2011","67","8","o2081","","10.1107/S1600536811028091","","","0.71073","MoKα","","0.0925","0.0535","","","0.1313","0.1529","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231017","21.928","0.003","8.2678","0.0008","13.248","0.002","90","","99.08","0.01","90","","2371.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2,4,6-Trichlorophenyl)maleamic acid","","- C10 H6 Cl3 N O3 -","- C10 H6 Cl3 N O3 -","- C80 H48 Cl24 N8 O24 -","8","1","BT5581","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,4,6-Trichlorophenyl)maleamic acid","Acta Crystallographica Section E","2011","67","8","o2149","","10.1107/S1600536811029436","","","0.71073","MoKα","","0.0442","0.0348","","","0.0897","0.0942","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231018","9.0385","0.0007","9.783","0.0007","15.897","0.001","90","","97.284","0.007","90","","1394.33","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Chlorophenyl)-2,4-dimethylbenzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","1","BT5582","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorophenyl)-2,4-dimethylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o2178","","10.1107/S1600536811029400","","","0.71073","MoKα","","0.0433","0.036","","","0.099","0.1033","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231019","7.144","0.002","7.57","0.002","15.064","0.004","90","","90.98","0.02","90","","814.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-1,3,2λ^5^-dioxaphospholan-2-one","","- C6 H13 O3 P -","- C6 H13 O3 P -","- C24 H52 O12 P4 -","4","1","BT5583","Skarżyńska, Anna; Trzeciak, Anna M.; Gniewek, Andrzej","4,4,5,5-Tetramethyl-1,3,2λ^5^-dioxaphospholan-2-one","Acta Crystallographica Section E","2011","67","8","o2159","","10.1107/S160053681102959X","","","0.71073","MoKα","","0.0385","0.035","","","0.0939","0.0957","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231020","8.782","0.002","9.458","0.002","12.022","0.003","76.71","0.03","70.84","0.03","73.21","0.03","892.9","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichloridobis(3,5-dimethylpyridine- κ<i>N</i>)(ethanolato-κ<i>O</i>)oxidorhenium(V)","","- C16 H23 Cl2 N2 O2 Re -","- C16 H23 Cl2 N2 O2 Re -","- C32 H46 Cl4 N4 O4 Re2 -","2","1","BT5584","Skarżyńska, Anna; Trzeciak, Anna M.; Gniewek, Andrzej","<i>trans</i>-Dichloridobis(3,5-dimethylpyridine-κ<i>N</i>)(ethanolato-κ<i>O</i>)oxidorhenium(V)","Acta Crystallographica Section E","2011","67","8","m1154","m1155","10.1107/S1600536811029588","","","0.71073","MoKα","","0.0264","0.021","","","0.0422","0.0428","","","","","","0.96","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231021","5.7814","0.0004","13.9861","0.0012","21.9791","0.0018","90","","92.949","0.004","90","","1774.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>,4-dimethylbenzenesulfonamide","","- C18 H23 N O4 S -","- C18 H23 N O4 S -","- C72 H92 N4 O16 S4 -","4","1","BT5588","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>,4-dimethylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o2186","","10.1107/S1600536811029746","","","0.71073","MoKα","","0.0555","0.0396","","","0.0992","0.1095","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231022","9.1093","0.0008","9.9106","0.0009","16.142","0.001","90","","96.505","0.009","90","","1447.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)-2,4-dimethylbenzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","1","BT5589","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chlorophenyl)-2,4-dimethylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o2160","","10.1107/S1600536811029795","","","0.71073","MoKα","","0.0704","0.049","","","0.1087","0.1212","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231023","16.4706","0.0008","16.4706","0.0008","19.8709","0.0009","90","","90","","90","","5390.6","0.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","<i>N</i>-(2,6-Dichlorophenyl)-4-methylbenzamide","","- C14 H11 Cl2 N O -","- C14 H11 Cl2 N O -","- C224 H176 Cl32 N16 O16 -","16","1","BT6816","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,6-Dichlorophenyl)-4-methylbenzamide","Acta Crystallographica Section E","2011","67","8","o2123","","10.1107/S1600536811028935","","","0.71073","MoKα","","0.08","0.0423","","","0.1064","0.1204","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231024","11.038","0.0004","9.2863","0.0003","33.2679","0.0013","90","","92.297","0.002","90","","3407.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dibenzyl-5-chloro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C21 H17 Cl N2 O -","- C21 H17 Cl N2 O -","- C168 H136 Cl8 N16 O8 -","8","2","BT6817","Dardouri, Rachida; Rodi, Youssef Kandri; Ladeira, Sonia; Essassi, El Mokhtar; Ng, Seik Weng","1,3-Dibenzyl-5-chloro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2136","","10.1107/S1600536811029084","","","0.71073","MoKα","","0.1014","0.0576","","","0.1367","0.1588","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231025","8.4278","0.0002","13.1258","0.0003","13.7966","0.0003","94.359","0.001","92.472","0.001","105.351","0.001","1464.31","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[3-(1,3-dioxoisoindolin-2-yl)propyl]-1<i>H</i>- anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","","- C37 H26 N4 O7 -","- C37 H26 N4 O7 -","- C74 H52 N8 O14 -","2","1","BT6818","Afrakssou, Zahra; Rodi, Youssef Kandri; Capet, Frédéric; Essassi, El Mokhtar; Ng, Seik Weng","1,3-Bis[3-(1,3-dioxoisoindolin-2-yl)propyl]-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","Acta Crystallographica Section E","2011","67","8","o2137","","10.1107/S1600536811029096","","","0.71073","MoKα","","0.1009","0.0449","","","0.099","0.1218","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231026","8.0901","0.0001","12.8226","0.0002","26.1472","0.0004","90","","90","","90","","2712.41","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(naphthalen-2-ylmethyl)-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole- 2,6,11(3<i>H</i>)-trione","","- C37 H24 N2 O3 -","- C37 H24 N2 O3 -","- C148 H96 N8 O12 -","4","1","BT6819","Afrakssou, Zahra; Rodi, Youssef Kandri; Capet, Frédéric; Essassi, El Mokhtar; Ng, Seik Weng","1,3-Bis(naphthalen-2-ylmethyl)-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","Acta Crystallographica Section E","2011","67","8","o2138","","10.1107/S1600536811029102","","","0.71073","MoKα","","0.0482","0.0435","","","0.1334","0.1384","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231027","13.021","0.0006","24.8832","0.001","7.9478","0.0003","90","","90","","90","","2575.12","0.19","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1-(Benzyloxy)naphthalene","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","BV2185","Venkatesan, Perumal; Arunadevi, S.; Mohamed, M. I. Fazal; Ilangovan, Andivelu","1-(Benzyloxy)naphthalene","Acta Crystallographica Section E","2011","67","8","o1924","o1925","10.1107/S1600536811025219","","","0.71073","MoKα","","","0.0386","","","","0.0986","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231028","19.2938","0.0007","6.0438","0.0002","12.9812","0.0005","90","","90","","90","","1513.71","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(4-Methylphenylsulfonyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C64 H64 N8 O8 S4 -","4","1","BV2186","Li, Jie; Zhao, Wei","1-(4-Methylphenylsulfonyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","8","o1898","","10.1107/S1600536811025001","","","0.71073","MoKα","","0.0435","0.0344","","","0.0753","0.0812","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231029","16.1065","0.0007","4.8485","0.0002","22.3653","0.0011","90","","91.01","0.002","90","","1746.29","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(5-cyclohexyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate","","- C19 H24 O4 S -","- C19 H24 O4 S -","- C76 H96 O16 S4 -","4","1","BV2187","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","Ethyl 2-(5-cyclohexyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate","Acta Crystallographica Section E","2011","67","8","o1871","","10.1107/S1600536811024925","","","0.71073","MoKα","","0.071","0.0524","","","0.1218","0.1322","","","","","","1.015","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231030","14.6687","0.0007","17.0977","0.0008","14.0017","0.0007","90","","95.798","0.003","90","","3493.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[5-(9-ethyl-9<i>H</i>-carbazol-3-yl)-2-methylthiophen-3-yl]- 3,3,4,4,5,5-hexafluorocyclopentene","","- C43 H32 F6 N2 S2 -","- C43 H32 F6 N2 S2 -","- C172 H128 F24 N8 S8 -","4","1","BV2188","Kubono, Koji; Synmyouzu, Teruo; Goto, Kenta; Tsujioka, Tsuyoshi; Tani, Keita","1,2-Bis[5-(9-ethyl-9<i>H</i>-carbazol-3-yl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopentene","Acta Crystallographica Section E","2011","67","8","o2194","","10.1107/S1600536811029539","","","1.54187","CuKα","","","0.0494","","","","0.139","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231031","13.5475","0.0014","10.3621","0.0011","19.0161","0.0019","90","","102.128","0.001","90","","2609.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>N</i>-benzoyl-<i>N</i>-phenylhydroxylaminato- κ^2^<i>O</i>,<i>O</i>')dimethyltin(IV)","","- C28 H26 N2 O4 Sn -","- C28 H26 N2 O4 Sn -","- C112 H104 N8 O16 Sn4 -","4","1","BX2356","Jiang, Jin; Dong, Lei; Yin, Handong","Bis(<i>N</i>-benzoyl-<i>N</i>-phenylhydroxylaminato-κ^2^<i>O</i>,<i>O</i>')dimethyltin(IV)","Acta Crystallographica Section E","2011","67","8","m1029","","10.1107/S160053681102561X","","","0.71073","MoKα","","0.085","0.0424","","","0.0896","0.118","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231032","13.8461","0.0004","11.0564","0.0003","18.106","0.0004","90","","110.511","0.001","90","","2596.09","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridine‒pyridine-3,5-dicarboxylic acid (3/4)","","- C58 H44 N10 O16 -","- C58 H44 N10 O16 -","- C116 H88 N20 O32 -","2","0.5","BX2358","Liu, Sheng-Bo; Xu, Chao; Duan, Taike; Chen, Qun; Zhang, Qian-Feng","4,4'-Bipyridine‒pyridine-3,5-dicarboxylic acid (3/4)","Acta Crystallographica Section E","2011","67","8","o2033","","10.1107/S160053681102719X","","","0.71073","MoKα","","0.0726","0.0441","","","0.105","0.1182","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231033","8.4087","0.0005","9.4852","0.0005","10.7735","0.0007","99.193","0.005","98.9","0.005","115.476","0.006","741.3","0.09","291.15","","291.15","","","","","","","","","4","P -1","-P 1","2","","6-Allyl-8-methoxy-3-phenyl-3,4-dihydro-2<i>H</i>-benzo[<i>e</i>][1,3]oxazine","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","BX2360","Zhu, Jing; Ren, Zhi-Dong; Liu, Yang; Zhao, Lei; Wu, Yong","6-Allyl-8-methoxy-3-phenyl-3,4-dihydro-2<i>H</i>-benzo[<i>e</i>][1,3]oxazine","Acta Crystallographica Section E","2011","67","8","o2056","","10.1107/S1600536811027474","","","1.5418","CuKα","","0.0536","0.0473","","","0.1292","0.1366","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231034","4.7977","0.0004","6.2954","0.0006","21.6341","0.0018","90","","90","","90","","653.42","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Aminobenzyl alcohol","(3-Aminophenyl)methanol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","BX2363","Betz, Richard; Gerber, Thomas; Hosten, Eric","(3-Aminophenyl)methanol","Acta Crystallographica Section E","2011","67","8","o2118","","10.1107/S1600536811029163","","","0.71073","MoKα","","0.0342","0.0331","","","0.0834","0.0844","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231035","8.7472","0.0017","11.823","0.002","12.923","0.003","112","0.03","109.24","0.03","97.36","0.03","1120.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ-Oxido-bis[bis(pentafluorophenolato)(η^5^-\ pentamethylcyclopentadienyl)titanium(IV)]","","- C44 H30 F20 O5 Ti2 -","- C44 H30 F20 O5 Ti2 -","- C44 H30 F20 O5 Ti2 -","1","0.5","BX2364","Lee, Junseong; Kim, Youngjo","μ-Oxido-bis[bis(pentafluorophenolato)(η^5^-pentamethylcyclopentadienyl)titanium(IV)]","Acta Crystallographica Section E","2011","67","8","m1147","","10.1107/S1600536811029357","","","0.71073","MoKα","","0.067","0.0493","","","0.128","0.141","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231036","7.606","0.0003","14.885","0.0005","16.7153","0.0005","72.57","0.002","86.834","0.002","88.936","0.002","1802.77","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Hexachloridobis{μ~2~-2-(piperazin-1-yl)-<i>N</i>-[1-(2-pyridyl) ethylidene]ethanamine}trizinc dihydrate","","- C26 H44 Cl6 N8 O2 Zn3 -","- C26 H44 Cl6 N8 O2 Zn3 -","- C52 H88 Cl12 N16 O4 Zn6 -","2","1","CI5190","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Hexachloridobis{<i>{μ</i>~2~}-2-(piperazin-1-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine}trizinc dihydrate","Acta Crystallographica Section E","2011","67","8","m1091","","10.1107/S1600536811027437","","","0.71073","MoKα","","0.0618","0.0455","","","0.1179","0.1265","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","203508","2020-10-21","18:00:00",""
"2231037","12.271","0.002","55.017","0.006","6.904","0.001","90","","90","","90","","4661","1.1","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Potassium <i>N</i>-bromo-2-methylbenzenesulfonamidate sesquihydrate","","- C7 H10 Br K N O3.5 S -","- C7 H10 Br K N O3.5 S -","- C112 H160 Br16 K16 N16 O56 S16 -","16","1","CI5191","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>-bromo-2-methylbenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2011","67","8","m1015","","10.1107/S1600536811025153","","","0.71073","MoKα","","0.0549","0.0482","","","0.1074","0.1121","","","","","","1.134","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231038","13.523","0.0002","13.852","0.0003","7.518","0.0001","90","","101.068","0.001","90","","1382.08","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-1,3-dimethyl-5-[(<i>E</i>)-2- (methylsulfanyl)benzylideneamino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C14 H16 N4 O2 S -","- C14 H16 N4 O2 S -","- C56 H64 N16 O8 S4 -","4","1","CI5192","Booysen, Irvin; Muhammed, Ismail; Soares, Anna; Gerber, Thomas; Hosten, Eric; Betz, Richard","A second monoclinic polymorph of 6-amino-1,3-dimethyl-5-[(<i>E</i>)-2-(methylsulfanyl)benzylideneamino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","8","o2025","o2026","10.1107/S1600536811027322","","","0.71069","MoKα","","0.0327","0.0291","","","0.0786","0.0808","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231039","11.901","0.0013","6.4898","0.0007","14.4248","0.0016","90","","100.141","0.002","90","","1096.7","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2-(4-Methoxyphenyl)-2-oxoethyl]malononitrile","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","CV5094","Lian, Mi; Chen, Tianli; Zhu, Yanping","2-[2-(4-Methoxyphenyl)-2-oxoethyl]malononitrile","Acta Crystallographica Section E","2011","67","8","o2007","","10.1107/S1600536811026961","","","0.71073","MoKα","","0.0654","0.0516","","","0.1292","0.1367","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231040","7.4225","0.0006","11.4705","0.0011","21.749","0.002","90","","91.781","0.001","90","","1850.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-Bis[1-(4-methoxyphenyl)ethylidene]thiocarbonohydrazide","","- C19 H22 N4 O2 S -","- C19 H22 N4 O2 S -","- C76 H88 N16 O8 S4 -","4","1","CV5100","Zhao, Xinyu","1,5-Bis[1-(4-methoxyphenyl)ethylidene]thiocarbonohydrazide","Acta Crystallographica Section E","2011","67","8","o2132","","10.1107/S1600536811029023","","","0.71073","MoKα","","0.1069","0.0494","","","0.1047","0.1347","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231041","19.0738","0.0016","19.9598","0.0017","8.6372","0.0007","90","","90","","90","","3288.3","0.5","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[aquabis[μ~3~-4-(3-pyridyl)pyrimidine-2-sulfonato- κ^4^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>:<i>O</i>][μ~2~-4-(3-pyridyl)pyrimidine- 2-sulfonato-κ^3^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>]trisilver(I)]","","- C27 H22 Ag3 N9 O11 S3 -","- C27 H22 Ag3 N9 O11 S3 -","- C108 H88 Ag12 N36 O44 S12 -","4","0.5","CV5105","Liu, Xia; Hu, Dahua","Poly[aquabis[μ~3~-4-(3-pyridyl)pyrimidine-2-sulfonato-κ^4^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>:<i>O</i>][μ~2~-4-(3-pyridyl)pyrimidine-2-sulfonato-κ^3^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>]trisilver(I)]","Acta Crystallographica Section E","2011","67","8","m1067","m1068","10.1107/S1600536811026626","","","0.71073","MoKα","","0.0742","0.0517","","","0.113","0.1186","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231042","7.5096","0.0005","20.965","0.002","10.8344","0.0011","90","","95.634","0.001","90","","1697.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[5-Chloro-2-hydroxy-<i>N</i>'-(2- oxidobenzylidene)benzohydrazidato]dimethyltin(IV)","","- C16 H15 Cl N2 O3 Sn -","- C16 H15 Cl N2 O3 Sn -","- C64 H60 Cl4 N8 O12 Sn4 -","4","1","CV5115","Zhang, Xiuyun; Yue, Caihong; Yin, Handong","[5-Chloro-2-hydroxy-<i>N</i>'-(2-oxidobenzylidene)benzohydrazidato]dimethyltin(IV)","Acta Crystallographica Section E","2011","67","8","m1028","","10.1107/S1600536811025621","","","0.71073","MoKα","","0.0433","0.029","","","0.0626","0.0707","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231043","4.118","0.0004","17.9237","0.0016","17.0787","0.0015","90","","97.352","0.003","90","","1250.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[(<i>E</i>)-(3-Phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]amino}- 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C12 H10 N6 S -","- C12 H10 N6 S -","- C48 H40 N24 S4 -","4","1","CV5118","Fun, Hoong-Kun; Hemamalini, Madhukar; Malladi, Shridhar; Isloor, Arun M.","4-{[(<i>E</i>)-(3-Phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]amino}-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","8","o1944","","10.1107/S1600536811024834","","","0.71073","MoKα","","0.059","0.0397","","","0.1063","0.1198","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231044","7.138","0.003","27.404","0.01","7.859","0.003","90","","112.297","0.005","90","","1422.4","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3-methylbenzohydrazide","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","CV5119","Guo, Hai-Chang; Liu, Shi-Yong; Wang, Xiao-Ling","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","8","o1878","","10.1107/S1600536811025426","","","0.71073","MoKα","","0.1335","0.049","","","0.0844","0.1063","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231045","7.9133","0.0002","7.9133","0.0002","5.65696","0.00017","90","","90","","90","","354.241","0.017","298","","298","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","tetramethylammonium borohydride","","- C4 H16 B N -","- C4 H16 B N -","- C8 H32 B2 N2 -","2","0.125","CV5120","Jaroń, Tomasz; Grochala, Wojciech","Tetramethylammonium borohydride from powder data","Acta Crystallographica Section E","2011","67","8","o2171","","10.1107/S1600536811029291","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.77","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2231046","29.023","0.01","7.561","0.002","18.286","0.006","90","","109.606","0.006","90","","3780","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)- 3-(2-chlorophenyl)-1-phenylpropan-1-one","","- C19 H19 Cl N4 O S -","- C19 H19 Cl N4 O S -","- C152 H152 Cl8 N32 O8 S8 -","8","1","CV5121","Wang, Zhi-jian; Jia, Wei-min; Liu, Qing-lei; Wang, Wei","3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-3-(2-chlorophenyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2011","67","8","o1922","","10.1107/S1600536811025803","","","0.71073","MoKα","","0.0414","0.0331","","","0.0846","0.0879","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231047","7.499","0.004","9.503","0.005","11.749","0.006","96.712","0.007","91.654","0.008","90.337","0.007","831.1","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-{[(2-furyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>- pyrazol-4-ylidene)methyl]amino}acetate","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C36 H34 N6 O8 -","2","1","CV5123","Han, Xiao; Yang, Xiao-Dong; Dai, Xiao-Chang","Methyl 2-{[(2-furyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)methyl]amino}acetate","Acta Crystallographica Section E","2011","67","8","o1936","","10.1107/S1600536811026158","","","0.71073","MoKα","","0.0902","0.051","","","0.126","0.1504","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231048","28.069","0.003","6.0927","0.0007","22.333","0.003","90","","124.464","0.002","90","","3148.9","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl [(benzylazaniumyl)(2-hydroxyphenyl)methyl]phosphonate","","- C16 H20 N O4 P -","- C16 H20 N O4 P -","- C128 H160 N8 O32 P8 -","8","1","CV5124","Zhang, Xiangdong; Zhang, Rui; Ge, Chunhua; Zhang, Xiaoyan","Ethyl [(benzylazaniumyl)(2-hydroxyphenyl)methyl]phosphonate","Acta Crystallographica Section E","2011","67","8","o2006","","10.1107/S1600536811026444","","","0.71073","MoKα","","0.0934","0.049","","","0.1052","0.1207","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231049","11.804","0.0005","3.886","0.0005","29.719","0.0005","90","","97.164","0.005","90","","1352.58","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","phenyl-4-hydroxycoumarinchalcone","4-Hydroxy-3-[(<i>E</i>)-3-phenylprop-2-enoyl]-2<i>H</i>-chromen-2-one","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","CV5125","Ghouili, Afef; Ben Hassen, Rached","4-Hydroxy-3-[(<i>E</i>)-3-phenylprop-2-enoyl]-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","8","o2209","","10.1107/S1600536811029801","","","0.71073","MoKα","","0.1738","0.0692","","","0.1768","0.2996","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231050","9.9897","0.0015","17.606","0.003","8.0801","0.0012","90","","111.806","0.004","90","","1319.4","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Methyl <i>N</i>'-(2,4,5-trimethoxybenzylidene)hydrazinecarboxylate","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","CV5126","Lv, Lu-Ping; Yu, Tie-Ming; Yu, Wen-Bo; Hu, Xian-Chao","(<i>E</i>)-Methyl <i>N</i>'-(2,4,5-trimethoxybenzylidene)hydrazinecarboxylate","Acta Crystallographica Section E","2011","67","8","o2023","","10.1107/S1600536811026705","","","0.71073","MoKα","","0.0522","0.0399","","","0.1043","0.1122","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231051","8.8021","0.0006","9.9949","0.001","11.5902","0.0013","83.132","0.001","84.179","0.002","70.505","0.001","952.24","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1,5-Bis(4-methoxybenzylidene)thiocarbonohydrazide methanol monosolvate","","- C18 H22 N4 O3 S -","- C18 H22 N4 O3 S -","- C36 H44 N8 O6 S2 -","2","1","CV5128","Zhao, Xinyu","1,5-Bis(4-methoxybenzylidene)thiocarbonohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","8","o2133","","10.1107/S1600536811029035","","","0.71073","MoKα","","0.0959","0.0468","","","0.1063","0.1373","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231052","19.012","0.004","8.662","0.0017","9.16","0.0018","90","","94.08","0.03","90","","1504.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2-{[(4-methoxy-3-pyridyl)amino]methylidene}malonate","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","CV5129","Zhang, Zhi-Fang","Diethyl 2-{[(4-methoxy-3-pyridyl)amino]methylidene}malonate","Acta Crystallographica Section E","2011","67","8","o1946","","10.1107/S1600536811026353","","","0.71073","MoKα","","0.117","0.0587","","","0.1222","0.1423","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231053","6.3232","0.0003","8.1625","0.0003","18.3623","0.0007","90","","98.906","0.002","90","","936.31","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,5'-(Disulfanediyl)bis(1-methyl-1<i>H</i>-tetrazole)","","- C4 H6 N8 S2 -","- C4 H6 N8 S2 -","- C16 H24 N32 S8 -","4","1","CV5132","Cui, Ai-Yun; Liu, Jing-Lin","5,5'-(Disulfanediyl)bis(1-methyl-1<i>H</i>-tetrazole)","Acta Crystallographica Section E","2011","67","8","o2184","","10.1107/S1600536811029862","","","0.71073","MoKα","","0.0371","0.0356","","","0.1036","0.1058","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231054","12.467","0.003","12.201","0.003","11.149","0.003","90","","91.191","0.003","90","","1695.5","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(3,4-Dimethoxybenzylidene)-3,5-dihydroxybenzohydrazide methanol monosolvate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","CV5134","Zhang, Qi-Hui; Zhou, Lian-Di; Li, Chuan-Xun; Huang, Shan-Shan; Zhang, Bao-Jing","<i>N</i>'-(3,4-Dimethoxybenzylidene)-3,5-dihydroxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","8","o2189","","10.1107/S1600536811029850","","","0.71073","MoKα","","0.0991","0.0549","","","0.1416","0.1615","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231055","10.434","0.002","11.726","0.002","22.2","0.004","100.9","0.03","93.92","0.02","111.62","0.03","2451","1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ~2~-2-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(2-chlorobenzoato- κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>:<i>N</i>')copper(II)] dihydrate","","- C52 H36 Cl4 Cu2 N4 O10 -","- C52 H36 Cl4 Cu2 N4 O10 -","- C104 H72 Cl8 Cu4 N8 O20 -","2","1","CV5135","Zhang, Zhi-Fang","Bis(μ~2~-2-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(2-chlorobenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>:<i>N</i>')copper(II)] dihydrate","Acta Crystallographica Section E","2011","67","8","m1158","m1159","10.1107/S1600536811029709","","","0.71073","MoKα","","0.0609","0.0408","","","0.1051","0.1171","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231056","7.199","0.007","11.792","0.011","28.77","0.03","90","","90","","90","","2442","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquabis{2-[4-(4-pyridyl)pyrimidin-2-ylsulfanyl]acetato}zinc","","- C22 H24 N6 O8 S2 Zn -","- C22 H24 N6 O8 S2 Zn -","- C88 H96 N24 O32 S8 Zn4 -","4","0.5","CV5136","Zhu, Hai-Bin; Lu, Xin","Tetraaquabis{2-[4-(4-pyridyl)pyrimidin-2-ylsulfanyl]acetato}zinc","Acta Crystallographica Section E","2011","67","8","m1169","","10.1107/S160053681102993X","","","0.71073","MoKα","","0.0499","0.0325","","","0.0787","0.0857","","","","","","1.017","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231057","7.4802","0.0002","8.6753","0.0002","14.6695","0.0004","77.164","0.003","84.723","0.004","65.151","0.002","842.23","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(<i>N</i>,<i>N</i>'-diethylnicotinamide-κ<i>N</i>^1^)bis(4- fluorobenzoato-κ<i>O</i>)copper(II)","","- C34 H40 Cu F2 N4 O8 -","- C34 H40 Cu F2 N4 O8 -","- C34 H40 Cu F2 N4 O8 -","1","0.5","CV6646","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Adıgüzel, Vedat; Hökelek, Tuncer","Diaquabis(<i>N</i>,<i>N</i>'-diethylnicotinamide-κ<i>N</i>^1^)bis(4-fluorobenzoato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","8","m1164","m1165","10.1107/S1600536811029941","","","0.71073","MoKα","","0.0385","0.0333","","","0.0958","0.0987","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231058","6.1851","0.0009","10.1359","0.0017","15.453","0.002","100.308","0.007","98.7","0.008","100.667","0.007","919.5","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","Poly[(μ-2-acetoxybenzoato)(2-acetoxybenzoato)-μ-aqua-mercury(II)]","","- C36 H32 Hg2 O18 -","- C36 H32 Hg2 O18 -","- C36 H32 Hg2 O18 -","1","0.5","DN2701","PrakashaReddy, J.","Poly[(μ-2-acetoxybenzoato)(2-acetoxybenzoato)-μ-aqua-mercury(II)]","Acta Crystallographica Section E","2011","67","8","m1151","","10.1107/S1600536811029278","","","0.71073","MoKα","","0.0543","0.04","","0.0924","0.0809","0.0924","","","","","","0.9668","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231059","10.683","0.003","7.026","0.002","26.435","0.007","90","","101.1","0.006","90","","1947.1","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-Dibenzyl-3-(4-fluorobenzoyl)thiourea","","- C22 H19 F N2 O S -","- C22 H19 F N2 O S -","- C88 H76 F4 N8 O4 S4 -","4","1","DN2702","Nasir, Mohd Faizal Md; Hassan, Ibrahim N.; Wan Daud, Wan Ramli; Yamin, Bohari M.; Kassim, Mohammad B.","1,1-Dibenzyl-3-(4-fluorobenzoyl)thiourea","Acta Crystallographica Section E","2011","67","8","o1987","","10.1107/S1600536811026687","","","0.71073","MoKα","","0.0809","0.0593","","","0.1285","0.1376","","","","","","1.146","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231060","10.8164","0.0015","11.0126","0.0013","13.2333","0.0016","90","","101.455","0.006","90","","1544.9","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)","","- C24 H20 B2 F8 N8 Ni O2 S2 -","- C24 H20 B2 F8 N8 Ni O2 S2 -","- C48 H40 B4 F16 N16 Ni2 O4 S4 -","2","0.5","DN2703","Bentiss, Fouad; Capet, Frédéric; Lagrenée, Michel; Saadi, Mohamed; El Ammari, Lahcen","<i>trans</i>-Diaquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole]nickel(II) bis(tetrafluoridoborate)","Acta Crystallographica Section E","2011","67","8","m1052","m1053","10.1107/S1600536811026420","","","0.71073","MoKα","","0.0351","0.0293","","","0.07","0.0732","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231061","14.109","0.002","11.73","0.003","16.696","0.005","90","","106.65","0.02","90","","2647.3","1.1","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Homopiperazine-1,4-diium bis[hexaaquacobalt(II)] trisulfate","","- C5 H38 Co2 N2 O24 S3 -","- C5 H38 Co2 N2 O24 S3 -","- C20 H152 Co8 N8 O96 S12 -","4","1","DN2704","Sahbani, Thameur; Smirani Sta, Wajda; S. Al-Deyab, Salem; Rzaigui, Mohamed","Homopiperazine-1,4-diium bis[hexaaquacobalt(II)] trisulfate","Acta Crystallographica Section E","2011","67","8","m1079","","10.1107/S1600536811027012","","","0.56085","AgKα","","0.1751","0.0636","","","0.1299","0.1633","","","","","","0.981","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231062","6.607","0.002","8.168","0.002","8.925","0.003","84.566","0.003","79.682","0.004","68.134","0.004","439.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Chloromethyl-1-methyl-1,3-benzimidazole","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C18 H18 Cl2 N4 -","2","1","DN2705","Han, Jie; Zhang, Jun; Yang, Qi; Zhao, Ming-gao; Fan, Guang","2-Chloromethyl-1-methyl-1,3-benzimidazole","Acta Crystallographica Section E","2011","67","8","o2104","","10.1107/S1600536811028376","","","0.71073","MoKα","","0.047","0.0423","","","0.1181","0.122","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231063","6.7435","0.0014","25.013","0.005","18.694","0.004","90","","94.8","0.004","90","","3142.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,2-Dicarba-<i>closo</i>-dodecaboranyl)trimethylmethanaminium iodide","","- C6 H22 B10 I N -","- C6 H22 B10 I N -","- C48 H176 B80 I8 N8 -","8","2","DN2706","Lee, Jong-Dae; Han, Won-Sik; Suh, Il-Hwan; Kang, Sang Ook","(1,2-Dicarba-<i>closo</i>-dodecaboranyl)trimethylmethanaminium iodide","Acta Crystallographica Section E","2011","67","8","o2148","","10.1107/S160053681102928X","","","0.71073","MoKα","","0.0487","0.0307","","","0.0667","0.0755","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231064","9.5424","0.0003","12.2708","0.0004","18.2427","0.0005","90.8","0.002","91.153","0.002","112.513","0.003","1972.36","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>threo</i>-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate","","- C17 H25 N O7 S -","- C17 H25 N O7 S -","- C68 H100 N4 O28 S4 -","4","2","DN2708","Mekki, Sofiane; Rolland, Valérie; van der Lee, Arie; Rolland, Marc","<i>threo</i>-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate","Acta Crystallographica Section E","2011","67","8","o2181","o2182","10.1107/S1600536811029527","","","1.54184","CuKα","","0.0443","0.04","","","0.1103","0.1144","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231065","21.99","0.002","10.047","0.0008","26.408","0.002","90","","90","","90","","5834.4","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C224 H224 Cl16 N16 O32 S16 -","16","2","DS2123","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o2102","","10.1107/S1600536811028819","","","0.71073","MoKα","","0.2105","0.1281","","","0.302","0.3447","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231066","7.727","0.004","10.244","0.005","11.326","0.006","86.076","0.009","77.705","0.008","70.794","0.008","827.2","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(2,4-Dinitrophenyl)-1,3-dimethoxyisoindolin-2-amine","","- C16 H16 N4 O6 -","- C16 H16 N4 O6 -","- C32 H32 N8 O12 -","2","1","EZ2248","Du, Na-Na; Xu, Hua-Jie; Sheng, Liang-Quan","<i>N</i>-(2,4-Dinitrophenyl)-1,3-dimethoxyisoindolin-2-amine","Acta Crystallographica Section E","2011","67","8","o1970","","10.1107/S1600536811026316","","","0.71073","MoKα","","0.0996","0.0669","","","0.1799","0.225","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231067","7.9187","0.0016","10.626","0.002","13.623","0.003","90.03","0.03","91.5","0.03","97.85","0.03","1135.2","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-[({[Bis(pyridin-2-yl)methylidene]hydrazinecarbonyl}hydrazinylidene)(pyridin- 2-yl)methyl]pyridinium tetrafluoroborate","","- C23 H19 B F4 N8 O -","- C23 H19 B F4 N8 O -","- C46 H38 B2 F8 N16 O2 -","2","1","EZ2251","Zhang, Jie","2-[({[Bis(pyridin-2-yl)methylidene]hydrazinecarbonyl}hydrazinylidene)(pyridin-2-yl)methyl]pyridinium tetrafluoroborate","Acta Crystallographica Section E","2011","67","8","o1874","","10.1107/S1600536811025359","","","0.71073","MoKα","","0.0588","0.048","","","0.141","0.1506","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231068","8.803","0.0002","12.745","0.0003","17.5779","0.0003","90","","90","","90","","1972.14","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium bromide dihydrate","","- C20 H24 Br O2 P -","- C20 H24 Br O2 P -","- C80 H96 Br4 O8 P4 -","4","1","EZ2252","Betz, Richard; Gerber, Thomas","Ethyltriphenylphosphonium bromide dihydrate","Acta Crystallographica Section E","2011","67","8","o1950","","10.1107/S1600536811026559","","","0.71073","MoKα","","0.02","0.0183","","","0.0472","0.0476","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231069","3.8034","0.0001","6.8144","0.0002","11.1807","0.0004","90","","95.102","0.001","90","","288.632","0.015","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxypyridinium-2-carboxylate","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C12 H10 N2 O6 -","2","1","EZ2254","Betz, Richard; Gerber, Thomas","3-Hydroxypyridinium-2-carboxylate","Acta Crystallographica Section E","2011","67","8","o2039","","10.1107/S1600536811027462","","","0.71073","MoKα","","0.0306","0.0303","","","0.083","0.0834","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231070","32.1166","0.0009","7.4888","0.0002","13.0907","0.0004","90","","108.655","0.002","90","","2983.09","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Hydroxy-<i>N</i>-(4-methoxybenzyl)-4-nitroanilinium chloride","","- C14 H15 Cl N2 O4 -","- C14 H15 Cl N2 O4 -","- C112 H120 Cl8 N16 O32 -","8","1","FB2237","Boulcina, Raouf; Fantazi, Boubakeur; Bouacida, Sofiane; Roisnel, Thierry; Debache, Abdelmadjid","2-Hydroxy-<i>N</i>-(4-methoxybenzyl)-4-nitroanilinium chloride","Acta Crystallographica Section E","2011","67","8","o2164","o2165","10.1107/S1600536811029552","","","0.71073","MoKα","","0.077","0.0451","","","0.0718","0.0789","","","","","","1.354","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231071","7.9974","0.001","10.3267","0.0013","11.9196","0.0015","109.101","0.003","96.785","0.003","104.72","0.003","877.58","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,2,6,6-Tetramethyl-4-oxopiperidin-1-ium 4-chloro-3-nitrobenzoate","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","FF2016","Yamin, Bohari M.; Zulkifli, Norsakina Z.","2,2,6,6-Tetramethyl-4-oxopiperidin-1-ium 4-chloro-3-nitrobenzoate","Acta Crystallographica Section E","2011","67","8","o1920","","10.1107/S1600536811025074","","","0.71073","MoKα","","0.077","0.047","","","0.111","0.126","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231072","13.2923","0.0007","10.7155","0.0003","13.8745","0.0007","90","","118.592","0.006","90","","1735.2","0.17","100.15","","100.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Diammine(2,2'-bipyridine)bis(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III) acetonitrile disolvate","","- C20 H26 Co Cr N14 S6 -","- C20 H26 Co Cr N14 S6 -","- C40 H52 Co2 Cr2 N28 S12 -","2","0.5","FF2017","Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Volodymyr N.; Zybatyuk, Roman I.; Shishkin, Oleg V.","Diammine(2,2'-bipyridine)bis(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III) acetonitrile disolvate","Acta Crystallographica Section E","2011","67","8","m1021","m1022","10.1107/S1600536811024998","","","0.7107","MoKα","","0.0542","0.0375","","","0.0776","0.0843","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231073","5.2431","0.0002","11.984","0.0007","25.6315","0.0011","90","","90","","90","","1610.51","0.13","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-3,3',4,5'-Tetramethoxystilbene","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","FF2018","Yan, Ri-An; Li, Xiao-Xia; Li, Guo-Qiang","<i>trans</i>-3,3',4,5'-Tetramethoxystilbene","Acta Crystallographica Section E","2011","67","8","o1960","","10.1107/S160053681102575X","","","1.5418","CuKα","","0.0445","0.0387","","","0.0898","0.095","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231074","10.41","0.004","12.688","0.005","17.124","0.007","90","","90","","90","","2261.8","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-methyl-1,2,3,3a-tetrahydrobenzo[<i>e</i>]pyrrolo[2,1-<i>b</i>][1,3]oxazepin- 10(5<i>H</i>)-one","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","2","FF2019","Jin, Yun-Zhou; Zhang, Rong-Hua; Fu, Da-Xu; Lv, Yao-Kang","5-Methyl-1,2,3,3a-tetrahydrobenzo[<i>e</i>]pyrrolo[2,1-<i>b</i>][1,3]oxazepin-10(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1969","","10.1107/S160053681102647X","","","0.71073","MoKα","","0.0602","0.0483","","","0.0999","0.1082","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231075","7.849","0.006","16.219","0.012","9.191","0.007","90","","108.584","0.01","90","","1109","1.5","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-6-nitro-1,3-benzothiazol-3-ium hydrogen sulfate","","- C7 H7 N3 O6 S2 -","- C7 H7 N3 O6 S2 -","- C28 H28 N12 O24 S8 -","4","1","FF2020","Qian, Hui-Fen; Huang, Wei","2-Amino-6-nitro-1,3-benzothiazol-3-ium hydrogen sulfate","Acta Crystallographica Section E","2011","67","8","o2044","","10.1107/S1600536811027620","","","0.71073","MoKα","","0.0681","0.0606","","","0.151","0.1586","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231076","6.5475","0.0011","7.9353","0.0013","13.363","0.002","82.3","0.002","81.309","0.003","88.765","0.002","680.13","0.19","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","3,3'-Dichlorobiphenyl-4,4'-diaminium sulfate","","- C12 H12 Cl2 N2 O4 S -","- C12 H12 Cl2 N2 O4 S -","- C24 H24 Cl4 N4 O8 S2 -","2","1","FF2021","Qian, Hui-Fen; Huang, Wei","3,3'-Dichlorobiphenyl-4,4'-diaminium sulfate","Acta Crystallographica Section E","2011","67","8","o2059","","10.1107/S1600536811027905","","","0.71073","MoKα","","0.0504","0.0355","","","0.0819","0.0907","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231077","15.132","0.002","16.687","0.002","6.4503","0.0009","90","","90","","90","","1628.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[diaquabis(3-methylpyridine-κ<i>N</i>)cobalt(II)]- μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","","- C12 H18 Co N2 O6 S -","- C12 H18 Co N2 O6 S -","- C48 H72 Co4 N8 O24 S4 -","4","0.5","FI2108","Alam, Naveed; Zeller, Matthias; Ahmad Tajidi, Nur Syamimi; Arifin, Zainudin; Mazhar, Muhammad","<i>catena</i>-Poly[[diaquabis(3-methylpyridine-κ<i>N</i>)cobalt(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","8","m1065","m1066","10.1107/S1600536811025815","","","0.71073","MoKα","","0.0291","0.0269","","","0.073","0.0749","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231078","16.389","0.004","11.582","0.005","14.538","0.005","90","","110.147","0.005","90","","2590.7","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(2,2':6',2''- terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) perchlorate nitromethane monosolvate","","- C20 H20 Cl2 N6 O10 Pt -","- C20 H20 Cl2 N6 O10 Pt -","- C80 H80 Cl8 N24 O40 Pt4 -","4","1","FI2109","Akerman, Matthew; Akerman, Kate; Jaganyi, Deogratius; Reddy, Desigan","Electrostatic repulsion between the cations of (1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) perchlorate nitromethane monosolvate prevents Pt···Pt interactions","Acta Crystallographica Section E","2011","67","8","m1075","m1076","10.1107/S1600536811025475","","","0.71073","MoKα","","0.0602","0.0452","","","0.1123","0.1178","","","","","","0.98","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231079","5.581","0.001","7.244","0.002","8.733","0.002","82.82","0.02","76.86","0.01","77.12","0.01","334.14","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(acetonitrile-κ<i>N</i>)diaquabis(perchlorato-κ<i>O</i>)copper(II)","","- C4 H10 Cl2 Cu N2 O10 -","- C4 H10 Cl2 Cu N2 O10 -","- C4 H10 Cl2 Cu N2 O10 -","1","0.5","FI2110","Tafeenko, Viktor A.; Gurskiy, Stanislav I.; Aslanov, Leonid A.","Bis(acetonitrile-κ<i>N</i>)diaquabis(perchlorato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","8","m1125","m1126","10.1107/S1600536811027309","","","0.56085","AgKα","","0.076","0.0657","","","0.1815","0.1923","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231080","11.0117","0.0007","5.4299","0.0002","11.7454","0.0007","90","","117.574","0.008","90","","622.52","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Phenylnaphtho[1,8-<i>de</i>][1,3,2]diazaborinane","","- C16 H13 B N2 -","- C16 H13 B N2 -","- C32 H26 B2 N4 -","2","1","FJ2411","Slabber, Cathryn A.; Grimmer, Craig; Akerman, Matthew P.; Robinson, Ross S.","2-Phenylnaphtho[1,8-<i>de</i>][1,3,2]diazaborinane","Acta Crystallographica Section E","2011","67","8","o1995","","10.1107/S1600536811026985","","","0.71073","MoKα","","0.0524","0.0392","","0.1205","0.1133","0.1205","","","","","","0.9047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231081","5.8272","0.0005","7.8358","0.0006","11.0387","0.001","90","","102.117","0.007","90","","492.81","0.07","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Methyl 6-azido-6-deoxy-α-D-galactoside","","","- C7 H13 N3 O5 -","- C7 H13 N3 O5 -","- C14 H26 N6 O10 -","2","1","FJ2434","Cheng, Janice M. H.; Gulab, Shivali A.; Timmer, Mattie S. M.; Stocker, Bridget L.; Gainsford, Graeme J.","Methyl 6-azido-6-deoxy-α-<small>D</small>-galactoside","Acta Crystallographica Section E","2011","67","8","o1941","o1942","10.1107/S1600536811025323","","","1.54178","CuKα","","0.0498","0.0474","","","0.1212","0.1254","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231082","4.6371","0.0003","19.2731","0.001","5.8593","0.0003","90","","102.498","0.002","90","","511.24","0.05","296","2","296","2","101","","","","","","","4","P 1 21 1","P 2yb","4","","5-(Pyridin-4-ylmethyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin- 4(5<i>H</i>)-one","","- C11 H9 N5 O -","- C11 H9 N5 O -","- C22 H18 N10 O2 -","2","1","FJ2436","Alsubari, Abdulsalam; Ramli, Youssef; Essassi, El Mokhtar; Zouihri, Hafid","5-(Pyridin-4-ylmethyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1926","","10.1107/S1600536811025025","","","0.71073","MoKα","","0.0471","0.0355","","","0.0792","0.0845","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231083","9.0378","0.0006","11.3939","0.0008","9.539","0.0006","90","","106.133","0.003","90","","943.6","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-<i>tert</i>-butyl-2-methylpropanamide","","- C8 H17 N O -","- C8 H17 N O -","- C32 H68 N4 O4 -","4","2","FJ2438","Kluge, Kelly A.; Fridyland, Diana; MacBeth, Cora E.; Hardcastle, Kenneth I.","<i>N</i>-<i>tert</i>-Butyl-2-methylpropanamide","Acta Crystallographica Section E","2011","67","8","o2143","","10.1107/S1600536811028947","","","1.54178","CuKα","","0.0356","0.0352","","","0.1051","0.1056","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231084","8.6064","0.0003","21.9864","0.0008","27.8721","0.001","90","","90","","90","","5274.1","0.3","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(acetonitrile-κ<i>N</i>)lithium hexafluorophosphate acetonitrile monosolvate","","- C10 H15 F6 Li N5 P -","- C10 H15 F6 Li N5 P -","- C120 H180 F72 Li12 N60 P12 -","12","3","FJ2439","Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A.","Tetrakis(acetonitrile-κ<i>N</i>)lithium hexafluoridophosphate acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","8","m1148","","10.1107/S1600536811027528","","","0.71073","MoKα","","0.0813","0.0542","","","0.1422","0.1573","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231085","10.168","0.0017","12.133","0.002","26.079","0.004","90","","90","","90","","3217.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Quinolin-8-yl)ferrocene-1-carboxamide","","- C20 H16 Fe N2 O -","- C20 H16 Fe N2 O -","- C160 H128 Fe8 N16 O8 -","8","1","FJ2441","Li, Xia; Du, Ling-Zhi","<i>N</i>-(Quinolin-8-yl)ferrocene-1-carboxamide","Acta Crystallographica Section E","2011","67","8","m1113","","10.1107/S1600536811026341","","","0.71073","MoKα","","0.0497","0.0344","","","0.0857","0.0968","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231086","11.359","0.004","7.694","0.003","22.817","0.007","90","","101.111","0.016","90","","1956.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1<i>H</i>-1,2,3-triazol- 1-yl)butan-1-ol hemihydrate","","- C21 H22 N5 O2.5 -","- C21 H22 N5 O2.5 -","- C84 H88 N20 O10 -","4","1","FJ2442","Ouahrouch, Abdelaaziz; Lazrek, Hassan B.; Taourirte, Moha; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1<i>H</i>-1,2,3-triazol-1-yl)butan-1-ol hemihydrate","Acta Crystallographica Section E","2011","67","8","o2029","o2030","10.1107/S1600536811027280","","","0.71073","MoKα","","0.0558","0.0415","","","0.1161","0.1273","","","","","","1.028","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231087","12.6026","0.0015","11.0138","0.0013","14.9701","0.0018","90","","114.447","0.002","90","","1891.6","0.4","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2-(4-Acetylphenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","FJ2443","Bustos, Carlos; Barría, Daniela; Alvarez-Thon, Luis; Cárcamo, Juan-Guillermo; Garland, Maria Teresa","2-[2-(4-Acetylphenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","Acta Crystallographica Section E","2011","67","8","o2048","o2049","10.1107/S1600536811027590","","","0.71073","MoKα","","0.0608","0.0416","","","0.1077","0.1174","","","","","","0.967","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231088","9.3825","0.0002","14.4047","0.0002","14.2279","0.0003","90","","102.666","0.001","90","","1876.14","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methyl-<i>N</i>-[(<i>Z</i>)-3-(4-methylphenylsulfonyl)-1,3-thiazolidin-2- ylidene]benzenesulfonamide","","- C17 H18 N2 O4 S3 -","- C17 H18 N2 O4 S3 -","- C68 H72 N8 O16 S12 -","4","1","FJ2445","Hu, Hui-Ling; Yang, Geng-Ren; Yeh, Chun-Wei","4-Methyl-<i>N</i>-[(<i>Z</i>)-3-(4-methylphenylsulfonyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o2103","","10.1107/S1600536811028807","","","0.71073","MoKα","","0.0474","0.0365","","","0.0992","0.107","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231089","13.062","0.002","15.71","0.003","19.798","0.003","90","","90","","90","","4062.6","1.2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[4-(4-Methylphenylsulfonyl)piperazin-1-yl]-1-(4,5,6,7- tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone","","- C20 H25 N3 O3 S2 -","- C20 H25 N3 O3 S2 -","- C160 H200 N24 O24 S16 -","8","1","FL2350","Niu, Duan; Huang, Shu-Yun; Wang, Ping-Bao; Liu, Deng-Ke","2-[4-(4-Methylphenylsulfonyl)piperazin-1-yl]-1-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone","Acta Crystallographica Section E","2011","67","8","o2134","","10.1107/S1600536811028716","","","0.71073","MoKα","","0.0603","0.0537","","","0.1381","0.1433","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231090","10.8297","0.0016","16.485","0.002","12.6846","0.0019","90","","95.538","0.002","90","","2254","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4,7,13,18-Tetraoxa-1,10-diazoniabicyclo[8.5.5]icosane bis(hexafluoridophosphate)","","- C14 H30 F12 N2 O4 P2 -","- C14 H30 F12 N2 O4 P2 -","- C56 H120 F48 N8 O16 P8 -","4","0.5","FY2005","Sen Gupta, Nalinava; Wragg, David S.; Tilset, Mats; Omtvedt, Jon Petter","4,7,13,18-Tetraoxa-1,10-diazoniabicyclo[8.5.5]icosane bis(hexafluoridophosphate)","Acta Crystallographica Section E","2011","67","8","o1929","o1930","10.1107/S1600536811025992","","","0.71073","MoKα","","0.0637","0.0401","","","0.0848","0.0949","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231091","10.05","0.005","23.218","0.005","8.031","0.005","90","","90","","90","","1874","1.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[2.1.1]cryptand siliconhexafluoride","4,7,13,18-Tetraoxa-1,10-diazoniabicyclo[8.5.5]icosane hexafluoridosilicate","","- C14 H30 F6 N2 O4 Si -","- C14 H30 F6 N2 O4 Si -","- C56 H120 F24 N8 O16 Si4 -","4","0.5","FY2006","Sen Gupta, Nalinava; Wragg, David S.; Tilset, Mats; Omtvedt, Jon Petter","4,7,13,18-Tetraoxa-1,10-diazoniabicyclo[8.5.5]icosane hexafluoridosilicate","Acta Crystallographica Section E","2011","67","8","o1958","o1959","10.1107/S1600536811026006","","","0.71073","MoKα","","0.0774","0.039","","","0.0968","0.1157","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231092","12.1753","0.001","8.1939","0.0007","14.0326","0.0011","90","","93.333","0.001","90","","1397.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[1-(4-Bromophenyl)ethyl]aminomethyl}phenol","","- C15 H16 Br N O -","- C15 H16 Br N O -","- C60 H64 Br4 N4 O4 -","4","1","FY2015","Gonzalez Nieves, Karilys","4-{[1-(4-Bromophenyl)ethyl]aminomethyl}phenol","Acta Crystallographica Section E","2011","67","8","o2110","","10.1107/S1600536811028339","","","0.71073","MoKα","","0.058","0.0312","","","0.0684","0.0773","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231093","5.88324","0.00014","14.3571","0.0003","18.3012","0.0004","90","","90","","90","","1545.83","0.06","295.65","","295.65","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(4-nitrobenzyl)diselane","","- C14 H12 N2 O4 Se2 -","- C14 H12 N2 O4 Se2 -","- C56 H48 N8 O16 Se8 -","4","1","FY2016","Zhou, Hua; Ou, Shi-Yi; Yan, Ri-An; Wu, Jian-Zhong","1,2-Bis(4-nitrobenzyl)diselane","Acta Crystallographica Section E","2011","67","8","o1938","","10.1107/S1600536811025736","","","1.5418","CuKα","","0.0326","0.0312","","","0.0976","0.1005","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231094","8.06","0.0004","10.1215","0.0005","13.0827","0.0006","81.479","0.004","76.478","0.004","82.087","0.004","1020.33","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Naphthyl)-3-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol- 4-yl)propan-1-one","","- C25 H22 N2 O Se -","- C25 H22 N2 O Se -","- C50 H44 N4 O2 Se2 -","2","1","GK2375","Muthukumaran, J.; Nachiappan, M.; Chitra, S.; Manisankar, P.; Bhattacharya, Suman; Muthusubramanian, S.; Krishna, R.; Jeyakanthan, J.","1-(2-Naphthyl)-3-phenyl-3-(4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4-yl)propan-1-one","Acta Crystallographica Section E","2011","67","8","o2010","o2011","10.1107/S1600536811027103","","","0.71073","MoKα","","0.0564","0.0375","","","0.0871","0.0961","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231095","13.347","0.003","14.187","0.003","14.408","0.003","90","","90","","90","","2728.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,2-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","","- C8 H18 Cl4 Cu N2 -","- C8 H18 Cl4 Cu N2 -","- C64 H144 Cl32 Cu8 N16 -","8","1","GK2387","Rong, Tao","1,2-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","Acta Crystallographica Section E","2011","67","8","m1016","","10.1107/S1600536811025347","","","0.71073","MoKα","","0.0677","0.0504","","","0.1149","0.1225","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231096","13.217","0.003","8.808","0.002","8.058","0.002","90","","105.476","0.004","90","","904.1","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3'',4,4''-Tetramethoxy-1,1':4',1''-terphenyl","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","GK2390","Kung Pui, Law; Hung, Wong Woei; M. Yamin, Bohari; Kassim, Mohammad B.","3,3'',4,4''-Tetramethoxy-1,1':4',1''-terphenyl","Acta Crystallographica Section E","2011","67","8","o1892","","10.1107/S1600536811025207","","","0.71073","MoKα","","0.0942","0.0568","","","0.1404","0.1595","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231097","5.9068","0.0008","7.3378","0.0009","15.816","0.004","78.259","0.014","82.03","0.013","67.986","0.01","620.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-[(5-chloropyrimidin-2-yl)carbamoyl]benzoate","","- C13 H10 Cl N3 O3 -","- C13 H10 Cl N3 O3 -","- C26 H20 Cl2 N6 O6 -","2","1","GK2391","Lu, Chun-Hsiang; Wu, Chia-Jun; Yeh, Chun-Wei; Chen, Jhy-Der","Methyl 4-[(5-chloropyrimidin-2-yl)carbamoyl]benzoate","Acta Crystallographica Section E","2011","67","8","o1872","","10.1107/S1600536811025268","","","0.71073","MoKα","","0.0492","0.0362","","","0.0908","0.0984","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231098","4.7469","0.0002","12.3528","0.0005","14.2149","0.0005","90.542","0.003","98.389","0.004","93.009","0.004","823.35","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Phenyl bis(morpholin-4-ylamido)phosphinate","<i>N</i>-[(morpholin-4-ylamino)(phenoxy)phosphoryl]morpholin-4-amine","","- C14 H23 N4 O4 P -","- C14 H23 N4 O4 P -","- C28 H46 N8 O8 P2 -","2","1","GK2392","Pourayoubi, Mehrdad; Eshtiagh-Hosseini, Hossein; Negari, Monireh; Nečas, Marek","Phenyl bis(morpholin-4-ylamido)phosphinate","Acta Crystallographica Section E","2011","67","8","o2202","","10.1107/S1600536811029734","","","0.71073","MoKα","","0.0404","0.0287","","","0.068","0.0697","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231099","15.757","0.005","7.564","0.005","19.886","0.005","90","","99.17","0.05","90","","2339.8","1.8","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(Acetoxy)(2-methylphenyl)methyl acetate","","- C12 H14 O4 -","- C12 H14 O4 -","- C96 H112 O32 -","8","1","GK2393","Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Manivannan, V.","(Acetoxy)(2-methylphenyl)methyl acetate","Acta Crystallographica Section E","2011","67","8","o2111","","10.1107/S1600536811028625","","","0.71073","MoKα","","0.0564","0.0412","","","0.1143","0.1249","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231100","18.006","0.004","18.255","0.004","13.166","0.003","90","","104.017","0.004","90","","4198.8","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(nitrato-κ<i>O</i>)bis(μ~4~-pyridine-4-carboxylato)tetrakis(μ~3~- pyridine-4-carboxylato)octasilver(I)] hemihydrate]","","- C36 H25 Ag8 N8 O18.5 -","- C36 H24 Ag8 N8 O18.5 -","- C144 H96 Ag32 N32 O74 -","4","1","GK2394","Meng, Zhao-Hui","Poly[[bis(nitrato-κ<i>O</i>)bis(μ~4~-pyridine-4-carboxylato)tetrakis(μ~3~-pyridine-4-carboxylato)octasilver(I)] hemihydrate]","Acta Crystallographica Section E","2011","67","8","m1112","","10.1107/S1600536811028261","","","0.71073","MoKα","","0.0513","0.0407","","","0.1006","0.1058","","","","","","1.012","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231101","9.9733","0.0011","8.2572","0.0008","18.859","0.002","90","","90.851","0.004","90","","1552.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-aminium chloride‒ thiourea (1/1)","","- C12 H18 Cl N5 O S -","- C12 H18 Cl N5 O S -","- C48 H72 Cl4 N20 O4 S4 -","4","1","GK2395","Murtaza, Shahzad; Hamza, Muhammad; Tahir, M. Nawaz","1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-aminium chloride‒thiourea (1/1)","Acta Crystallographica Section E","2011","67","8","o2193","","10.1107/S1600536811029989","","","0.71073","MoKα","","0.0559","0.0393","","","0.1003","0.1107","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231102","6.893","0.005","9.146","0.008","18.052","0.01","90","","111.27","0.03","90","","1060.5","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(1<i>H</i>-indol-3-yl)propanoate","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","GK2396","Hou, Rui-Bin; Li, Dong-Feng","Methyl 3-(1<i>H</i>-indol-3-yl)propanoate","Acta Crystallographica Section E","2011","67","8","o2121","","10.1107/S1600536811028595","","","0.71073","MoKα","","0.0891","0.0515","","","0.1209","0.1379","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231103","11.9241","0.0002","12.9272","0.0001","21.4018","0.0004","90","","103.79","0.001","90","","3203.89","0.09","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κ<i>N</i>)[2-(diphenylphosphanyl)ethanamine- κ^2^<i>N</i>,<i>P</i>][(1,2,3,4,5-η)-1,2,3,4,5- pentamethylcyclopentadienyl]iron(II) hexafluoridophosphate tetrahydrofuran monosolvate","","- C30 H42 F6 Fe N2 O P2 -","- C30 H42 F6 Fe N2 O P2 -","- C120 H168 F24 Fe4 N8 O4 P8 -","4","1","GO2017","Lee, Kajin; Rominger, Frank; Limbach, Michael","(Acetonitrile-κ<i>N</i>)[2-(diphenylphosphanyl)ethanamine-κ^2^<i>N</i>,<i>P</i>][(1,2,3,4,5-η)-1,2,3,4,5-pentamethylcyclopentadienyl]iron(II) hexafluoridophosphate tetrahydrofuran monosolvate","Acta Crystallographica Section E","2011","67","8","m1135","","10.1107/S1600536811028832","","","0.71073","MoKα","","0.0697","0.0452","","","0.1022","0.1146","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231104","8.7033","0.0003","7.2434","0.0003","26.4178","0.001","90","","95.903","0.001","90","","1656.59","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetonitrile-κ<i>N</i>)dichlorido(η^4^-cycloocta-1,5-diene)ruthenium(II) acetonitrile monosolvate","","- C14 H21 Cl2 N3 Ru -","- C14 H21 Cl2 N3 Ru -","- C56 H84 Cl8 N12 Ru4 -","4","1","GO2018","Chiririwa, Haleden; Meijboom, Reinout; Owalude, Samson O.; Eke, Uche B.; Arderne, Charmaine","Bis(acetonitrile-κ<i>N</i>)dichlorido(η^4^-cycloocta-1,5-diene)ruthenium(II) acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","8","m1096","","10.1107/S1600536811027723","","","0.71073","MoKα","","0.0245","0.0217","","","0.0529","0.0542","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231105","9.414","0.005","9.664","0.005","12.644","0.004","90","","94.245","0.005","90","","1147.2","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)cyclobutanamine","","- C28 H27 N P2 -","- C28 H27 N P2 -","- C56 H54 N2 P4 -","2","1","GO2019","Engelbrecht, Ilana; Visser, Hendrik G.; Roodt, Andreas","<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)cyclobutanamine","Acta Crystallographica Section E","2011","67","8","o2041","o2042","10.1107/S1600536811027656","","","0.71073","MoKα","","0.0254","0.0239","","","","0.0637","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231106","16.6512","0.0007","9.6962","0.0003","14.4423","0.0006","90","","98.892","0.003","90","","2303.73","0.15","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Dichloro-3,3',5,5'-tetramethyl-2,2'-[(3a<i>R</i>,7a<i>R</i>/3a<i>S</i>, 7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3- diyl)bis(methylene)]diphenol","","- C25 H32 Cl2 N2 O2 -","- C25 H32 Cl2 N2 O2 -","- C100 H128 Cl8 N8 O8 -","4","0.5","GO2020","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","4,4'-Dichloro-3,3',5,5'-tetramethyl-2,2'-[(3a<i>R</i>,7a<i>R</i>/3a<i>S</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl)bis(methylene)]diphenol","Acta Crystallographica Section E","2011","67","8","o2131","","10.1107/S1600536811028960","","","1.5418","CuKα","","0.034","0.0333","","","0.1156","0.1164","","","","","","2.54","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231107","3.9242","0.0004","8.029","0.0008","10.0778","0.001","84.632","0.002","81.458","0.002","84.002","0.002","311.3","0.05","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ~2~-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene- κ^2^<i>N</i>:<i>N</i>']di-μ~2~-chlorido-cadmium]","","- C12 H12 Cd Cl2 N2 O2 -","- C12 H12 Cd Cl2 N2 O2 -","- C12 H12 Cd Cl2 N2 O2 -","1","0.5","GW2103","Wang, Pin-Ning; Yeh, Chun-Wei; Lee, Hsun-Tsing; Suen, Maw-Cherng","Poly[[μ~2~-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']di-μ~2~-chlorido-cadmium]","Acta Crystallographica Section E","2011","67","8","m1083","","10.1107/S1600536811027036","","","0.71073","MoKα","","0.0441","0.0441","","","0.1248","0.1249","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231108","7.7422","0.0013","11.0505","0.0015","8.2318","0.0013","90","","103.697","0.007","90","","684.24","0.18","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>R</i>)-(+)-2-{[(3-Methyl-4-nitropyridin-2-yl)methyl]sulfinyl}- 1<i>H</i>-benzimidazole","","- C14 H12 N4 O3 S -","- C14 H12 N4 O3 S -","- C28 H24 N8 O6 S2 -","2","1","GW2104","Naga Raju, Manne; Uday Kumar, Neelam; Kolla, Naveenkumar; Bandichhor, Rakeshwar; Vishweshwar, Peddy","(<i>R</i>)-(+)-2-{[(3-Methyl-4-nitropyridin-2-yl)methyl]sulfinyl}-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2011","67","8","o2190","","10.1107/S1600536811029990","","","0.7107","MoKα","","","0.0367","","","","0.0375","","","","","","1.254","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231109","14.123","0.003","7.7789","0.0016","21.384","0.004","90","","96.31","0.03","90","","2335","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Methyl-1-[4-(methylsulfanyl)benzylidene]thiosemicarbazide","","- C10 H13 N3 S2 -","- C10 H13 N3 S2 -","- C80 H104 N24 S16 -","8","1","HB5903","Mu, Xiao-Gang; Wang, Xuan-Jun; Yang, Jing-Jing","4-Methyl-1-[4-(methylsulfanyl)benzylidene]thiosemicarbazide","Acta Crystallographica Section E","2011","67","8","o2069","","10.1107/S1600536811028029","","","0.71073","MoKα","","0.0617","0.0571","","","0.1679","0.1699","","","","","","1.346","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231110","11.088","0.002","7.71","0.0015","12.687","0.003","90","","114.5","0.03","90","","986.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,4-Dihydroxyphenethyl acetate","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","HB5912","Shen, Fei; Zhu, Jing; Wang, Lu-lu; Wang, Kai; Yang, Wen-ge","3,4-Dihydroxyphenethyl acetate","Acta Crystallographica Section E","2011","67","8","o1996","","10.1107/S1600536811026730","","","0.71073","MoKα","","0.0581","0.0462","","","0.1331","0.1463","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231111","10.1796","0.0007","10.5648","0.0007","12.3632","0.0008","90","","110.613","0.001","90","","1244.48","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>Z</i>)-2-(4-<i>tert</i>-Butylphenyl)-1-(4-chloro-1-ethyl-3-methyl- 1<i>H</i>-pyrazol-5-yl)-2-cyanovinyl pivalate","","- C24 H30 Cl N3 O2 -","- C24 H30 Cl N3 O2 -","- C48 H60 Cl2 N6 O4 -","2","1","HB5916","Wang, Bao; Yu, Haibo; Li, Bin","(<i>Z</i>)-2-(4-<i>tert</i>-Butylphenyl)-1-(4-chloro-1-ethyl-3-methyl-1<i>H</i>-pyrazol-5-yl)-2-cyanovinyl pivalate","Acta Crystallographica Section E","2011","67","8","o2027","","10.1107/S1600536811027255","","","0.71073","MoKα","","0.0472","0.0388","","","0.0934","0.1004","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231112","8.0284","0.0003","8.0748","0.0003","8.8373","0.0004","90.803","0.003","91.33","0.003","111.563","0.004","532.51","0.04","113","1","113","1","","","","","","","","6","P -1","-P 1","2","","Diaquatetrakis(dimethylformamide-κ<i>O</i>)magnesium dichloride","","- C12 H32 Cl2 Mg N4 O6 -","- C12 H32 Cl2 Mg N4 O6 -","- C12 H32 Cl2 Mg N4 O6 -","1","0.5","HB5919","Reiss, Guido J.; Boldog, Ishtvan; Janiak, Christoph","Redetermination of diaquatetrakis(dimethylformamide-κ<i>O</i>)magnesium dichloride","Acta Crystallographica Section E","2011","67","8","m1109","m1110","10.1107/S1600536811027073","","","0.71073","MoKα","","0.0221","0.0212","","","0.0477","0.048","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231113","5.042","0.002","11.368","0.004","15.139","0.006","69.865","0.007","82.698","0.008","80.702","0.008","801.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-3-cyclohexyl-3-methylthiourea","","- C15 H19 Cl N2 O S -","- C15 H19 Cl N2 O S -","- C30 H38 Cl2 N4 O2 S2 -","2","1","HB5920","Al-abbasi, Aisha A.; Yamin, Bohari M.; Kassim, Mohammad B.","1-(4-Chlorobenzoyl)-3-cyclohexyl-3-methylthiourea","Acta Crystallographica Section E","2011","67","8","o1891","","10.1107/S1600536811025013","","","0.71073","MoKα","","0.1438","0.0851","","","0.1681","0.1924","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231114","7.6364","0.0007","10.4177","0.0009","12.4732","0.001","103.478","0.007","90.624","0.007","109.852","0.008","903.21","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","3-(5,5-dioxophenothiazin-10-yl)-<i>N</i>,<i>N</i>,2-trimethylpropanaminium chloride","","- C18 H23 Cl N2 O2 S -","- C18 H23 Cl N2 O2 S -","- C36 H46 Cl2 N4 O4 S2 -","2","1","HB5925","Siddegowda, M. S.; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Ramesh, A. R.","Oxomemazine hydrochloride","Acta Crystallographica Section E","2011","67","8","o1875","","10.1107/S1600536811025372","","","1.54178","CuKα","","0.0879","0.0792","","","0.2201","0.2286","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231115","3.8649","0.0002","6.5233","0.0003","12.1703","0.0006","91.374","0.004","95.914","0.004","103.483","0.004","296.43","0.03","100","1","100","1","","","","","","","","4","P 1","P 1","1","","(<i>E</i>)-2-(4-Chlorobenzylidene)indan-1-one","","- C16 H11 Cl O -","- C16 H11 Cl O -","- C16 H11 Cl O -","1","1","HB5928","Ali, Mohamed Ashraf; Choon, Tan Soo; Lan, Lim Yee; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(<i>E</i>)-2-(4-Chlorobenzylidene)indan-1-one","Acta Crystallographica Section E","2011","67","8","o2064","","10.1107/S1600536811027589","","","0.71073","MoKα","","0.0477","0.0458","","","0.1215","0.1243","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231116","12.8074","0.001","21.9101","0.0018","8.9048","0.0007","90","","96.49","0.003","90","","2482.8","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Ethyl <i>N</i>'-(3-hydroxybenzylidene)hydrazinecarboxylate dihydrate","","- C10 H16 N2 O5 -","- C10 H16 N2 O5 -","- C80 H128 N16 O40 -","8","2","HB5929","Hu, Xian-Chao; Zhang, Jie; Yang, Da-Yong; Lv, Lu-Ping","(<i>E</i>)-Ethyl <i>N</i>'-(3-hydroxybenzylidene)hydrazinecarboxylate dihydrate","Acta Crystallographica Section E","2011","67","8","o1884","","10.1107/S1600536811025104","","","0.71073","MoKα","","0.0681","0.0433","","","0.1092","0.1262","","","","","","0.946","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231117","3.9852","0.0002","9.1078","0.0005","12.1409","0.0007","90","","95.238","0.003","90","","438.83","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-amino-5-bromobenzoate","","- C8 H8 Br N O2 -","- C8 H8 Br N O2 -","- C16 H16 Br2 N2 O4 -","2","1","HB5930","Khan, Islam Ullah; Khan, Muneeb Hayat; Akkurt, Mehmet","Methyl 2-amino-5-bromobenzoate","Acta Crystallographica Section E","2011","67","8","o1887","","10.1107/S1600536811025165","","","0.71073","MoKα","","0.0297","0.0226","","","0.0439","0.0454","","","","","","0.943","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231118","6.0068","0.0018","7.42","0.002","14.047","0.004","77.531","0.005","86.958","0.005","84.483","0.005","608.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1-Cyano-<i>N</i>-(2,4,5-trichlorophenyl)cyclopropane-1-carboxamide","","- C11 H7 Cl3 N2 O -","- C11 H7 Cl3 N2 O -","- C22 H14 Cl6 N4 O2 -","2","1","HB5931","Liu, Hui-Jun; Weng, Jian-Quan; Tan, Cheng-Xia; Liu, Xing-Hai","1-Cyano-<i>N</i>-(2,4,5-trichlorophenyl)cyclopropane-1-carboxamide","Acta Crystallographica Section E","2011","67","8","o1940","","10.1107/S1600536811026225","","","0.71073","MoKα","","0.0515","0.035","","","0.095","0.1071","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231119","4.0014","0.0003","8.7232","0.0006","23.0626","0.0018","82.127","0.001","86.897","0.001","85.932","0.001","794.6","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(5-Bromopyridin-2-yl)acetamide","","- C7 H7 Br N2 O -","- C7 H7 Br N2 O -","- C28 H28 Br4 N8 O4 -","4","2","HB5933","Fun, Hoong-Kun; Shahani, Tara; Kumar, Rajesha; Isloor, Arun M.; Shivananda, Kammasandra N.","<i>N</i>-(5-Bromopyridin-2-yl)acetamide","Acta Crystallographica Section E","2011","67","8","o2043","","10.1107/S1600536811027553","","","0.71073","MoKα","","0.065","0.0314","","","0.07","0.081","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231120","11.9269","0.0004","19.148","0.0006","12.4233","0.0004","90","","103.479","0.001","90","","2759.04","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Bis[(3-allylimidazolium-1-yl)methyl]mesitylene bis(hexafluoridophosphate)","","- C23 H30 F12 N4 P2 -","- C23 H30 F12 N4 P2 -","- C92 H120 F48 N16 P8 -","4","1","HB5934","Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Hemamalini, Madhukar; Fun, Hoong-Kun","2,4-Bis[(3-allylimidazolium-1-yl)methyl]mesitylene bis(hexafluoridophosphate)","Acta Crystallographica Section E","2011","67","8","o2068","","10.1107/S1600536811027541","","","0.71073","MoKα","","0.0634","0.0464","","","0.1067","0.1167","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231121","5.3101","0.0014","5.7301","0.0013","14.651","0.004","80.364","0.016","84.788","0.011","74.845","0.015","423.7","0.19","120","2","120","2","","","","","","","","4","P 1","P 1","1","","<i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-2-hydroxy-4- methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","- C16 H23 N3 O6 -","1","1","HB5936","Wardell, James L.; de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.","<i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(<i>E</i>)-2-hydroxy-4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","Acta Crystallographica Section E","2011","67","8","o1888","o1889","10.1107/S1600536811025293","","","0.71073","MoKα","","0.0745","0.0619","","","0.1494","0.1582","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231122","9.5887","0.0019","9.948","0.002","12.671","0.003","90","","109.63","0.03","90","","1138.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Chloro-<i>N</i>^4^-methyl-<i>N</i>^4^-phenylpyrimidine-4,5-diamine","","- C11 H11 Cl N4 -","- C11 H11 Cl N4 -","- C44 H44 Cl4 N16 -","4","1","HB5937","Shi, Fuqiang; Zhu, Li-Hong; Zhang, Long; Li, Ya-Feng","6-Chloro-<i>N</i>^4^-methyl-<i>N</i>^4^-phenylpyrimidine-4,5-diamine","Acta Crystallographica Section E","2011","67","8","o2089","","10.1107/S1600536811028303","","","0.71073","MoKα","","0.0487","0.0373","","","0.0995","0.1053","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231123","9.9233","0.0007","10.4236","0.0006","13.2422","0.0011","86.419","0.006","79.205","0.007","89.932","0.005","1342.78","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","1,3-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-(propane-1,3- diylidene)dihydroxylamine","<i>N</i>-[1,3-bis(4-fluorophenyl)-3-(hydroxyimino)propylidene]hydroxylamine","","- C15 H12 F2 N2 O2 -","- C15 H12 F2 N2 O2 -","- C60 H48 F8 N8 O8 -","4","2","HB5938","Samshuddin, S.; Butcher, Ray J.; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S.; Sarojini, B. K.","1,3-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-(propane-1,3-diylidene)dihydroxylamine","Acta Crystallographica Section E","2011","67","8","o1954","o1955","10.1107/S1600536811026547","","","1.54178","CuKα","","0.114","0.0825","","","0.2098","0.2357","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231124","24.885","0.003","8.8026","0.0009","13.8918","0.0017","90","","119.609","0.004","90","","2645.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[μ-aqua-tetraaquabis(μ-2-hydroxy-4-oxocyclobut-1-ene- 1,3-diolato)strontium] hemihydrate]","","- C8 H13 O13.5 Sr -","- C8 H13 O13.5 Sr -","- C64 H104 O108 Sr8 -","8","1","HB5939","Bouhali, Amira; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Bataille, Thierry","Poly[[μ-aqua-tetraaquabis(μ-2-hydroxy-4-oxocyclobut-1-ene-1,3-diolato)strontium] hemihydrate]","Acta Crystallographica Section E","2011","67","8","m1130","m1131","10.1107/S1600536811028704","","","0.71073","MoKα","","0.0439","0.0278","","","0.0617","0.0676","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231125","5.0928","0.0009","11.932","0.002","15.779","0.003","90","","90","","90","","958.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Dibromonaphthalene-2,3-diol","","- C10 H6 Br2 O2 -","- C10 H6 Br2 O2 -","- C40 H24 Br8 O8 -","4","1","HB5940","Gao, Qinghe; Zhu, Yanping","1,4-Dibromonaphthalene-2,3-diol","Acta Crystallographica Section E","2011","67","8","o2009","","10.1107/S1600536811026997","","","0.71073","MoKα","","0.0323","0.0287","","","0.0667","0.0678","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231126","8.9017","0.0012","13.994","0.0017","10.0473","0.0012","90","","94.687","0.012","90","","1247.4","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 2-(4-hydroxybenzoyl)benzoate","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","HB5942","Siddegowda, M. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Swamy, M. T.","Methyl 2-(4-hydroxybenzoyl)benzoate","Acta Crystallographica Section E","2011","67","8","o1994","","10.1107/S1600536811026651","","","0.71073","MoKα","","0.0507","0.0424","","","0.1104","0.1174","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231127","25.118","0.002","10.543","0.001","14.992","0.002","90","","91.435","0.001","90","","3968.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido[2-({[3-(cyclohexylazaniumyl)propyl]imino}methyl)-5- methoxyphenolate]zinc","","- C17 H26 Cl2 N2 O2 Zn -","- C17 H26 Cl2 N2 O2 Zn -","- C136 H208 Cl16 N16 O16 Zn8 -","8","1","HB5943","Wang, Chen-Yi","Dichlorido[2-({[3-(cyclohexylazaniumyl)propyl]imino}methyl)-5-methoxyphenolate]zinc","Acta Crystallographica Section E","2011","67","8","m1085","m1086","10.1107/S1600536811027085","","","0.71073","MoKα","","0.0432","0.0285","","","0.0676","0.0751","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231128","7.198","0.002","12.398","0.004","15.865","0.005","90","","102.296","0.004","90","","1383.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Chloro-<i>N</i>-(2,4,6-trimethylbenzylidene)aniline","","- C16 H16 Cl N -","- C16 H16 Cl N -","- C64 H64 Cl4 N4 -","4","1","HB5944","Guo, Ying; Pan, Meng-Xin; Xiang, Hai; Liu, Wen-Hong; Song, Zhong-Cheng","(<i>E</i>)-4-Chloro-<i>N</i>-(2,4,6-trimethylbenzylidene)aniline","Acta Crystallographica Section E","2011","67","8","o1999","","10.1107/S1600536811027024","","","0.71073","MoKα","","0.0843","0.0459","","","0.1079","0.1358","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231129","12.094","0.0009","12.094","0.0009","12.094","0.0009","90","","90","","90","","1768.9","0.2","293","2","293","2","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","lanthanum dodecazinc","","- La Zn12.36 -","- La Zn12.372 -","- La8 Zn98.976 -","8","0.0416667","HB5947","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; White, Fraser","LaZn~12.37(1)~, a zinc-deficient variant of the NaZn~13~ structure type","Acta Crystallographica Section E","2011","67","8","i43","","10.1107/S1600536811028893","","","0.71073","MoKα","","0.0252","0.0243","","","0.051","0.052","","","","","","1.216","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231130","7.735","0.005","11.324","0.005","23.236","0.01","90","","90","","90","","2035.3","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-2-yl)acrylate","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-2-yl)prop-2-enoate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","HB5951","Hou, Rui-Bin; Li, Dong-Feng","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-2-yl)acrylate","Acta Crystallographica Section E","2011","67","8","o2197","","10.1107/S1600536811030121","","","0.71073","MoKα","","0.0808","0.0492","","","0.1182","0.1332","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231131","11.6723","0.0005","12.2455","0.0006","12.4859","0.0006","62.549","0.002","70.771","0.002","79.407","0.002","1494.26","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2,4,5-Tris(biphenyl-2-yl)-1-bromobenzene","","- C42 H29 Br -","- C42 H29 Br -","- C84 H58 Br2 -","2","1","HB5952","Rodrigues, Ana S. M. C.; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Low, John Nicolson","2,4,5-Tris(biphenyl-2-yl)-1-bromobenzene","Acta Crystallographica Section E","2011","67","8","o2090","o2091","10.1107/S1600536811028455","","","0.71073","MoKα","","0.0323","0.0274","","","0.071","0.0734","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231132","9.644","0.0001","15.1496","0.0002","14.5286","0.0002","90","","123.927","0.001","90","","1761.28","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(1-Isobutyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-yl)amino]benzoic acid","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","HB5954","Fun, Hoong-Kun; Shahani, Tara; Dinesh; Kayarmar, Reshma; Nagaraja, G. K.","3-[(1-Isobutyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-yl)amino]benzoic acid","Acta Crystallographica Section E","2011","67","8","o2150","","10.1107/S1600536811028765","","","0.71073","MoKα","","0.0689","0.0506","","","0.1281","0.1395","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231133","6.3874","0.0018","11.724","0.003","11.975","0.003","78.83","0.003","77.138","0.003","84.807","0.003","856.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-4-methylbenzohydrazide methanol monosolvate","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C36 H46 N6 O4 -","2","1","HB6324","Liu, Huanyu; Cai, Yanchun; Wu, Jianyong; Li, Zhuolin; Li, Guanwen","(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-4-methylbenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","8","o2139","","10.1107/S1600536811029394","","","0.71073","MoKα","","0.1302","0.0595","","","0.1346","0.169","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231134","10.945","0.0003","10.9895","0.0003","13.5749","0.0003","99.409","0.001","109.707","0.001","92.854","0.001","1506.77","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-[(1,3-Benzodioxol-5-ylmethylidene)amino]-4,5,6,7-tetrahydro-1- benzothiophene-3-carbonitrile","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C68 H56 N8 O8 S4 -","4","2","HB6325","Asiri, Abdullah M.; Khan, Salman A.; Tahir, M. Nawaz","2-[(1,3-Benzodioxol-5-ylmethylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","Acta Crystallographica Section E","2011","67","8","o2162","","10.1107/S1600536811029564","","","0.71073","MoKα","","0.0658","0.0419","","","0.1039","0.1188","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231135","4.757","0.0002","13.1011","0.0004","30.5511","0.0009","90","","90","","90","","1904","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2,3- dihydroxybenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate dihydrate","","- C18 H23 N3 O8 -","- C18 H23 N3 O8 -","- C72 H92 N12 O32 -","4","1","HB6326","Wardell, Solange M. S. V.; Tiekink, Edward R. T.; de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Wardell, James L.","Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2,3-dihydroxybenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate dihydrate","Acta Crystallographica Section E","2011","67","8","o2155","o2156","10.1107/S1600536811029370","","","0.71073","MoKα","","0.0741","0.05","","","0.101","0.1136","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231136","9.1195","0.0002","11.9614","0.0002","12.0393","0.0002","90","","90","","90","","1313.27","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(<i>Z</i>)-2-Phenylhydrazin-1-ylidene]-1-(piperidin-1-yl)propan-2-one","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C56 H76 N12 O4 -","4","1","HB6327","Abdel-Aziz, Hatem A.; Ng, Seik Weng; Tiekink, Edward R. T.","1-[(<i>Z</i>)-2-Phenylhydrazin-1-ylidene]-1-(piperidin-1-yl)propan-2-one","Acta Crystallographica Section E","2011","67","8","o2172","","10.1107/S1600536811029680","","","1.5418","CuKα","","0.0344","0.0327","","","0.0784","0.0803","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231137","10.7882","0.0001","16.2785","0.0001","19.0962","0.0001","90","","98.2461","0.0006","90","","3318.92","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosan-2- ium nitrate","","- C36 H57 N5 O3 -","- C36 H57 N5 O3 -","- C144 H228 N20 O12 -","4","1","HB6328","Choi, Jong-Ha; Subhan, Md Abdus; Ng, Seik Weng; Tiekink, Edward R. T.","2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosan-2-ium nitrate","Acta Crystallographica Section E","2011","67","8","o2173","o2174","10.1107/S1600536811029692","","","1.54184","CuKα","","0.0401","0.0386","","","0.1184","0.1199","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231138","4.1225","0.0003","14.4441","0.0011","16.049","0.0014","90","","90","","90","","955.65","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Dibromonaphthalen-1-ol","","- C10 H6 Br2 O -","- C10 H6 Br2 O -","- C40 H24 Br8 O4 -","4","1","HB6335","Raza, Abdul Rauf; Sultan, Aeysha; Tahir, M. Nawaz","2,4-Dibromonaphthalen-1-ol","Acta Crystallographica Section E","2011","67","8","o2199","","10.1107/S160053681103011X","","","0.71073","MoKα","","0.0901","0.0422","","","0.0772","0.0894","","","","","","0.962","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231139","7.185","0.001","8.1918","0.0012","11.8265","0.0016","106.516","0.016","106.429","0.016","97.344","0.017","623.49","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-acetato-bis[(1,3-benzothiazole)copper(II)](<i>Cu</i>—<i>Cu</i>)","","- C22 H22 Cu2 N2 O8 S2 -","- C22 H22 Cu2 N2 O8 S2 -","- C22 H22 Cu2 N2 O8 S2 -","1","0.5","HG5042","Hermle, Johannes; Meyer, Gerd","Tetra-μ-acetato-bis[(1,3-benzothiazole)copper(II)](<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section E","2011","67","8","m1089","","10.1107/S1600536811027140","","","0.71073","MoKα","","0.0505","0.0316","","","0.0701","0.0754","","","","","","0.968","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231140","35.194","0.006","9.3857","0.0018","27.956","0.005","90","","107.073","0.004","90","","8827","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-4-<i>tert</i>-butylbenzoato)- κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>'; κ^4^<i>O</i>:<i>O</i>'-bis[aquabis(4-<i>tert</i>-butylbenzoato- κ^2^<i>O</i>,<i>O</i>')(4-<i>tert</i>-butylbenzoic acid-κ<i>O</i>)praseodymium(III)]","","- C88 H110 O18 Pr2 -","- C88 H110 O18 Pr2 -","- C352 H440 O72 Pr8 -","4","1","HG5053","Dai, Jun; Pan, Rong-Kun; Yang, Juan","Tetrakis(μ-4-<i>tert</i>-butylbenzoato)-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[aquabis(4-<i>tert</i>-butylbenzoato-κ^2^<i>O</i>,<i>O</i>')(4-<i>tert</i>-butylbenzoic acid-κ<i>O</i>)praseodymium(III)]","Acta Crystallographica Section E","2011","67","8","m1160","m1161","10.1107/S1600536811029667","","","0.71073","MoKα","","0.1102","0.0732","","","0.1804","0.2062","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231141","17.017","0.003","17.017","0.003","7.4099","0.0015","90","","90","","90","","2145.7","0.7","123","2","123","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","bis[hydrotris(pyrazol-1-yl)borato]iron(II)","","- C18 H20 B2 Fe N12 -","- C18 H20 B2 Fe N12 -","- C72 H80 B8 Fe4 N48 -","4","0.25","HG5058","Ni, Zhong-Hai; Li, Guo-Ling; Ma, Rui; Nie, Jing","A tetragonal polymorph of bis[hydrotris(pyrazol-1-yl)borato]iron(II)","Acta Crystallographica Section E","2011","67","8","m1033","","10.1107/S1600536811025839","","","0.71073","MoKα","","0.0374","0.0372","","","0.1224","0.1226","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231142","5.193","0.001","7.8","0.0016","14.868","0.003","94.28","0.03","97.5","0.03","102.54","0.03","579.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(<i>m</i>-Tolyloxy)benzoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C28 H24 O6 -","2","1","HG5059","Zhang, Zhi-Fang","2-(<i>m</i>-Tolyloxy)benzoic acid","Acta Crystallographica Section E","2011","67","8","o1935","","10.1107/S1600536811026171","","","0.71073","MoKα","","0.1138","0.0521","","","0.0995","0.1159","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231143","10.207","0.004","5.3275","0.0019","18.656","0.007","90","","99.156","0.004","90","","1001.5","0.7","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Bis{4-bromo-2-[(2-hydroxyethyl)iminomethyl]phenolato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}cadmium","","- C18 H18 Br2 Cd N2 O4 -","- C18 H18 Br2 Cd N2 O4 -","- C36 H36 Br4 Cd2 N4 O8 -","2","0.5","HG5060","Yu, Jing","Bis{4-bromo-2-[(2-hydroxyethyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}cadmium","Acta Crystallographica Section E","2011","67","8","m1035","","10.1107/S1600536811025852","","","0.71073","MoKα","","0.0832","0.0553","","","0.1122","0.1262","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231144","9.0103","0.001","10.0946","0.0009","11.3994","0.0009","86.987","0.007","75.95","0.008","82.396","0.008","996.75","0.17","170","2","170","2","","","","","","","","5","P -1","-P 1","2","1H-imidazole","2-(4-Fluorophenyl)-1-phenyl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline monohydrate","","- C25 H17 F N4 O -","- C25 H17 F N4 O -","- C50 H34 F2 N8 O2 -","2","1","HG5061","Rosepriya, S.; Venkatesh Perumal, M.; Thiruvalluvar, A.; Jayabharathi, J.; Butcher, R. J.; Jasinski, J. P.; Golen, J. A.","2-(4-Fluorophenyl)-1-phenyl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline monohydrate","Acta Crystallographica Section E","2011","67","8","o1965","","10.1107/S1600536811026328","","","1.54178","CuKα","","0.0463","0.0423","","","0.1174","0.1215","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231145","7.3428","0.0003","7.2186","0.0003","16.887","0.0008","90","","93.093","0.002","90","","893.79","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxymethyl-1,3-dimethylimidazolium iodide","","- C6 H11 I N2 O -","- C6 H11 I N2 O -","- C24 H44 I4 N8 O4 -","4","1","HG5062","Chelghoum, Meryem; Bahnous, Mebarek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","2-Hydroxymethyl-1,3-dimethylimidazolium iodide","Acta Crystallographica Section E","2011","67","8","o1890","","10.1107/S1600536811025700","","","0.71073","MoKα","","0.0312","0.0214","","","0.0559","0.0628","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231146","16.393","0.003","12.4954","0.0019","9.7648","0.0016","90","","117.444","0.003","90","","1775.1","0.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dibromidomercury(II)]-μ-3,6-bis(2- pyridylsulfanyl)pyridazine-κ^2^<i>N</i>^3^:<i>N</i>^6^]","","- C14 H10 Br2 Hg N4 S2 -","- C14 H10 Br2 Hg N4 S2 -","- C56 H40 Br8 Hg4 N16 S8 -","4","0.5","HG5063","Zhu, Xue-Hua; Yang, Xiao-Yuan; Song, Rui-Feng; Li, Hai-Yan","<i>catena</i>-Poly[[dibromidomercury(II)]-μ-3,6-bis(2-pyridylsulfanyl)pyridazine-κ^2^<i>N</i>^3^:<i>N</i>^6^]","Acta Crystallographica Section E","2011","67","8","m1111","","10.1107/S1600536811028066","","","0.71075","MoKα","","0.0455","0.0377","","","0.077","0.0803","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231147","10.7782","0.0003","12.6349","0.0004","12.9071","0.0004","90","","100.956","0.003","90","","1725.67","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-3-(4-Chloroanilino)-1-(5-hydroxy-3- methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)but-2-en-1-one","","- C20 H18 Cl N3 O2 -","- C20 H18 Cl N3 O2 -","- C80 H72 Cl4 N12 O8 -","4","1","HG5069","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>Z</i>)-3-(4-Chloroanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)but-2-en-1-one","Acta Crystallographica Section E","2011","67","8","o2157","","10.1107/S1600536811029473","","","0.71073","MoKα","","0.0508","0.0391","","","0.093","0.103","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231148","19.7329","0.0009","19.7329","0.0009","14.7338","0.0004","90","","90","","120","","4968.5","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","Ferrocenylphosphonic acid","","- C10 H11 Fe O3 P -","- C10 H11 Fe O3 P -","- C180 H198 Fe18 O54 P18 -","18","1","HY2442","Yang, Bao-Zhang; Xu, Chao; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng","Ferrocenylphosphonic acid","Acta Crystallographica Section E","2011","67","8","m1087","","10.1107/S1600536811027206","","","0.71073","MoKα","","0.055","0.0395","","","0.0907","0.098","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231149","5.011","0.0002","10.9309","0.0004","12.2435","0.0005","109.631","0.002","99.083","0.003","91.02","0.003","621.92","0.04","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato- κ^2^<i>N</i>,<i>O</i>^1^}nickel(II)","","- C30 H26 F2 N2 Ni O4 -","- C30 H26 F2 N2 Ni O4 -","- C30 H26 F2 N2 Ni O4 -","1","0.5","HY2443","Bahron, Hadariah; Tajuddin, Amalina Mohd; Ibrahim, Wan Nazihah Wan; Hemamalini, Madhukar; Fun, Hoong-Kun","Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^}nickel(II)","Acta Crystallographica Section E","2011","67","8","m1010","m1011","10.1107/S1600536811025189","","","0.71073","MoKα","","0.0652","0.0465","","","0.1032","0.1141","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231150","14.7106","0.0015","10.4938","0.0011","14.9461","0.0015","90","","90","","90","","2307.2","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","octamethylferrocenium bromanilate","1,1',2,2',3,3',4,4'-Octamethylferrocenium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate","","- C24 H27 Br2 Fe O4 -","- C24 H27 Br2 Fe O4 -","- C96 H108 Br8 Fe4 O16 -","4","0.5","HY2444","Mochida, Tomoyuki","1,1',2,2',3,3',4,4'-Octamethylferrocenium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate","Acta Crystallographica Section E","2011","67","8","m1012","","10.1107/S1600536811025499","","","0.71073","MoKα","","0.0928","0.0409","","","0.0703","0.0839","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231151","25.9966","0.0013","7.9393","0.0004","16.8495","0.0009","90","","112.214","0.001","90","","3219.5","0.3","76","2","76","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato- κ<i>N</i>^1^]manganese(II) decahydrate","","- C18 H40 Mn N6 O18 -","- C18 H40 Mn N6 O18 -","- C72 H160 Mn4 N24 O72 -","4","0.5","HY2445","Piao, Ying-Ai; Xuan, Zhen-Yu","Tetraaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ<i>N</i>^1^]manganese(II) decahydrate","Acta Crystallographica Section E","2011","67","8","m1072","","10.1107/S1600536811025335","","","0.71073","MoKα","","0.0342","0.0285","","","0.0695","0.0728","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231152","10.4869","0.0014","11.154","0.0015","13.7276","0.0018","107.853","0.001","106.778","0.002","102.885","0.002","1375.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[aqua[μ~5~-5-(isonicotinamido)isophthalato][μ~4~-5- (isonicotinamido)isophthalato]cerium(III)silver(I)]","","- C28 H18 Ag Ce N4 O11 -","- C28 H18 Ag Ce N4 O11 -","- C56 H36 Ag2 Ce2 N8 O22 -","2","1","HY2446","Nie, Xue; Qu, Jing-Nian","Poly[aqua[μ~5~-5-(isonicotinamido)isophthalato][μ~4~-5-(isonicotinamido)isophthalato]cerium(III)silver(I)]","Acta Crystallographica Section E","2011","67","8","m1107","m1108","10.1107/S1600536811027668","","","0.71073","MoKα","","0.0398","0.0347","","","0.0789","0.0806","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231153","11.73","0.007","15.169","0.009","23.688","0.012","90","","96.967","0.007","90","","4184","4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bis[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis(μ~4~- diphenylphosphinato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')bis[μ~2~- trifluoromethanesulfonato(0.546/0.454)]- κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-tetrasilver(I) acetonitrile disolvate","","- C80 H70 Ag4 F6 N2 O10 P6 S2 -","- C80 H70 Ag4 F6 N2 O10 P6 S2 -","- C160 H140 Ag8 F12 N4 O20 P12 S4 -","2","0.5","HY2447","Tang, Li-ping; Jia, Chen; Huang, Li-li; Xie, Jia-Li","Bis[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis(μ~4~-diphenylphosphinato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')bis[μ~2~-trifluoromethanesulfonato(0.546/0.454)]-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-tetrasilver(I) acetonitrile disolvate","Acta Crystallographica Section E","2011","67","8","m1141","m1142","10.1107/S160053681102931X","","","0.71073","MoKα","","0.0706","0.055","","","0.1335","0.1443","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231154","4.0595","0.0002","8.1114","0.0003","10.1132","0.0004","84.503","0.002","81.963","0.002","84.898","0.002","327.26","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene- κ^2^<i>N</i>:<i>N</i>']di-μ-bromido-cadmium]","","- C12 H12 Br2 Cd N2 O2 -","- C12 H12 Br2 Cd N2 O2 -","- C12 H12 Br2 Cd N2 O2 -","1","0.5","HY2448","Suen, Maw-Cherng; Yeh, Chun-Wei; Lin, Shui-Chuan; Hsu, Yi-Fen","Poly[[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']di-μ-bromido-cadmium]","Acta Crystallographica Section E","2011","67","8","m1099","","10.1107/S1600536811027759","","","0.71073","MoKα","","0.044","0.0263","","","0.0633","0.0666","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231155","15.192","0.002","13.003","0.002","8.6108","0.0013","90","","103.781","0.002","90","","1652","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[2-methylsulfanyl- 4-(pyridin-4-yl-κ<i>N</i>)pyrimidine]copper(II)}(<i>Cu—Cu</i>)","","- C28 H30 Cu2 N6 O8 S2 -","- C28 H30 Cu2 N6 O8 S2 -","- C56 H60 Cu4 N12 O16 S4 -","2","0.5","HY2450","Zhu, Hai-Bin; Yang, Wen-Na","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[2-methylsulfanyl-4-(pyridin-4-yl-κ<i>N</i>)pyrimidine]copper(II)}(<i>Cu{—</i>Cu})","Acta Crystallographica Section E","2011","67","8","m1168","","10.1107/S1600536811029837","","","0.71073","MoKα","","0.0408","0.0308","","","0.0903","0.0974","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231156","10.829","0.002","13.209","0.003","18.906","0.006","90","","118.3","0.02","90","","2381.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(cyanido-κ<i>C</i>){6,6'-dimethoxy-2,2'-[<i>o</i>- phenylenebis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(III) acetonitrile monosolvate","","- C25 H23 Co N4 O5 -","- C25 H23 Co N4 O5 -","- C100 H92 Co4 N16 O20 -","4","1","HY2451","Lin, Yang; Li, Guang-Ming; Chen, Peng; Yan, Peng-Fei; Hou, Guang-Feng","Aqua(cyanido-κ<i>C</i>){6,6'-dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(III) acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","8","m1162","","10.1107/S1600536811029461","","","0.71073","MoKα","","0.0455","0.0342","","","0.0878","0.0957","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231157","16.1703","0.0015","15.1042","0.0014","7.9858","0.0007","90","","92.845","0.001","90","","1948","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~2~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>')aquabis(μ~3~- isonicotinato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>)samarium(III)silver(I)] perchlorate]","","- C14 H13 Ag Cl N2 O11 Sm -","- C14 H13 Ag Cl N2 O11 Sm -","- C56 H52 Ag4 Cl4 N8 O44 Sm4 -","4","1","IM2297","Zhu, Li-Cai; Zhu, Si-Ming","Poly[[(μ~2~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>')aquabis(μ~3~-isonicotinato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>)samarium(III)silver(I)] perchlorate]","Acta Crystallographica Section E","2011","67","8","m1054","m1055","10.1107/S1600536811026134","","","0.71073","MoKα","","0.0331","0.0262","","","0.061","0.0638","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231158","10.5071","0.0007","8.4023","0.0005","32.6662","0.0019","90","","90","","90","","2883.9","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Bis(4-methoxyphenyl)-4,5-dihydroisoxazole","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","IM2301","Samshuddin, S.; Butcher, Ray J.; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S.","3,5-Bis(4-methoxyphenyl)-4,5-dihydroisoxazole","Acta Crystallographica Section E","2011","67","8","o1975","o1976","10.1107/S1600536811026833","","","0.71073","MoKα","","0.1364","0.0745","","","0.1319","0.1559","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231159","7.7371","0.0002","12.2169","0.0004","11.3419","0.0003","90","","110.61","0.002","90","","1003.46","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(2-hydroxyphenyl)methanone","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","IM2302","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","Bis(2-hydroxyphenyl)methanone","Acta Crystallographica Section E","2011","67","8","o1897","","10.1107/S1600536811025438","","","0.71073","MoKα","","0.0511","0.0377","","","0.1","0.1061","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231160","7.0761","0.0007","8.5411","0.0008","9.5162","0.001","100.866","0.003","105.036","0.003","110.25","0.003","495.92","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis(acetato-<i>κO</i>)diaquabis(2-aminopyrazine- κ<i>N</i>^4^)manganese(II) dihydrate","","- C12 H24 Mn N6 O8 -","- C12 H24 Mn N6 O8 -","- C12 H24 Mn N6 O8 -","1","0.5","IM2304","Gao, Shan; Ng, Seik Weng","<i>trans</i>-Bis(acetato-κ<i>O</i>)diaquabis(2-aminopyrazine-κ<i>N</i>^4^)manganese(II) dihydrate","Acta Crystallographica Section E","2011","67","8","m1140","","10.1107/S1600536811028583","","","0.71073","MoKα","","0.0789","0.0427","","","0.1023","0.1589","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231161","14.6207","0.0008","7.0692","0.0004","12.4019","0.0005","90","","109.818","0.003","90","","1205.9","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[3-(Hydroxymethyl)phenyl]-3-phenylurea","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","IM2305","Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun","1-[3-(Hydroxymethyl)phenyl]-3-phenylurea","Acta Crystallographica Section E","2011","67","8","o2094","","10.1107/S1600536811028315","","","0.71073","MoKα","","","0.0409","","","","0.1106","","","","","","0.929","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231162","11.7374","0.0002","14.3062","0.0002","14.5552","0.0002","61.939","0.001","80.791","0.001","84.878","0.001","2128.69","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Methyl (2<i>Z</i>)-2-(2-fluoro-4-methoxybenzylidene)-5-(4-methoxyphenyl)- 7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine- 6-carboxylate","","- C24 H21 F N2 O5 S -","- C24 H21 F N2 O5 S -","- C96 H84 F4 N8 O20 S4 -","4","2","IS2738","Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Umesha, K.; Narayana, B.","Methyl (2<i>Z</i>)-2-(2-fluoro-4-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2011","67","8","o1913","o1914","10.1107/S1600536811025141","","","0.71073","MoKα","","0.0595","0.0436","","","0.1107","0.1226","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231163","9.3525","0.0001","10.214","0.0001","11.6913","0.0001","67.271","0.001","76.119","0.001","69.419","0.001","957.322","0.018","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","9-(4-Hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,6,9-tetrahydro-3<i>H</i>- xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","","- C23 H26 O4 -","- C23 H26 O4 -","- C46 H52 O8 -","2","1","IS2739","Fun, Hoong-Kun; Loh, Wan-Sin; Rajesh, K.; Vijayakumar, V.; Sarveswari, S.","9-(4-Hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,6,9-tetrahydro-3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","8","o1876","o1877","10.1107/S160053681102527X","","","0.71073","MoKα","","0.0452","0.0387","","","0.1127","0.1194","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231164","8.1603","0.0006","10.9148","0.0008","13.5558","0.001","90","","96.285","0.003","90","","1200.13","0.15","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>S</i>*,3<i>S</i>*,8<i>S</i>*,10<i>S</i>*)-10-Fluoro-15- oxatetracyclo[6.6.1.0^1,10^.0^3,8^]pentadeca-5,12-dien-3-ol","","- C14 H17 F O2 -","- C14 H17 F O2 -","- C56 H68 F4 O8 -","4","1","IS2740","Mehta, Goverdhan; Sen, Saikat","(1<i>S</i>*,3<i>S</i>*,8<i>S</i>*,10<i>S</i>*)-10-Fluoro-15-oxatetracyclo[6.6.1.0^1,10^.0^3,8^]pentadeca-5,12-dien-3-ol","Acta Crystallographica Section E","2011","67","8","o1985","","10.1107/S1600536811026857","","","0.71073","MoKa","","0.0486","0.0406","","","0.1058","0.1128","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231165","10.6177","0.0005","11.9973","0.0005","17.5532","0.0008","90","","99.751","0.002","90","","2203.69","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 6-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxo-1,2,3,4,6,6a,7,12b- octahydrochromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","","- C24 H21 Cl N2 O6 -","- C24 H21 Cl N2 O6 -","- C96 H84 Cl4 N8 O24 -","4","1","IS2742","Kanchanadevi, J.; Anbalagan, G.; Sivakumar, G.; Bakthadoss, M.; Manivannan, V.","Methyl 6-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxo-1,2,3,4,6,6a,7,12b-octahydrochromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate","Acta Crystallographica Section E","2011","67","8","o1990","","10.1107/S160053681102678X","","","0.71073","MoKα","","0.09","0.0516","","","0.1336","0.1584","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231166","8.5811","0.0003","16.5165","0.0006","12.493","0.0004","90","","121.518","0.002","90","","1509.42","0.1","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5<i>E</i>)-5-(4-Methoxybenzylidene)-2-(piperidin-1-yl)-1,3-thiazol- 4(5<i>H</i>)-one","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","IS2743","Fun, Hoong-Kun; Yeap, Chin Sing; Lobo, Prajwal L.; Prasad, D. Jagadeesh; Poojary, Boja","(5<i>E</i>)-5-(4-Methoxybenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1915","","10.1107/S1600536811025761","","","0.71073","MoKα","","0.054","0.0392","","","0.1077","0.1193","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231167","6.3249","0.0002","12.4958","0.0005","12.9125","0.0004","77.649","0.001","78.133","0.001","76.551","0.001","956.44","0.06","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","3-{1-[4-(2-Methylpropyl)phenyl]ethyl}-4-phenyl-1<i>H</i>- 1,2,4-triazole-5(4<i>H</i>)-thione","","- C20 H23 N3 S -","- C20 H23 N3 S -","- C40 H46 N6 S2 -","2","1","IS2744","Fun, Hoong-Kun; Yeap, Chin Sing; Manjunath, K.; Prasad, D. Jagadeesh; Poojary, Boja","3-{1-[4-(2-Methylpropyl)phenyl]ethyl}-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","8","o1943","","10.1107/S1600536811025773","","","0.71073","MoKα","","0.0897","0.0548","","","0.1608","0.1902","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231168","14.3292","0.0002","15.3691","0.0002","18.2096","0.0002","80.289","0.001","74.982","0.001","65.631","0.001","3519.49","0.08","100","0.1","100","","","","","","","","","5","P -1","-P 1","2","","Bis(μ~2~-2-amino-5-nitrobenzoato)bis(2-amino-5-nitrobenzoato)octabutyldi- μ~3~-oxido-tetratin(IV)","","- C60 H92 N8 O18 Sn4 -","- C60 H92 N8 O18 Sn4 -","- C120 H184 N16 O36 Sn8 -","2","1","IS2746","Win, Yip-Foo; Choong, Chen-Shang; Teoh, Siang-Guan; Yeap, Chin Sing; Fun, Hoong-Kun","Bis(μ~2~-2-amino-5-nitrobenzoato)bis(2-amino-5-nitrobenzoato)octabutyldi-μ~3~-oxido-tetratin(IV)","Acta Crystallographica Section E","2011","67","8","m1114","m1115","10.1107/S1600536811028212","","","0.71073","MoKα","","0.0474","0.0323","","","0.0657","0.0728","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231169","7.7033","0.0018","17.403","0.004","16.23","0.004","90","","90.184","0.004","90","","2175.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-μ-2,2'-oxydibenzoato]","","- C26 H16 N2 O5 Zn -","- C26 H16 N2 O5 Zn -","- C104 H64 N8 O20 Zn4 -","4","1","IS2747","Cai, Xue","<i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-μ-2,2'-oxydibenzoato]","Acta Crystallographica Section E","2011","67","8","m1157","","10.1107/S160053681102856X","","","0.71073","MoKα","","0.0917","0.044","","","0.0978","0.1121","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231170","7.30691","0.00015","10.2555","0.0002","14.7645","0.0003","84.75","0.001","86.278","0.001","74.079","0.001","1058.57","0.04","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","7-Methoxy-1-(4-nitrobenzoyl)naphthalen-2-yl 4-nitrobenzoate","","- C25 H16 N2 O8 -","- C25 H16 N2 O8 -","- C50 H32 N4 O16 -","2","1","IS2749","Muto, Toyokazu; Hijikata, Daichi; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","7-Methoxy-1-(4-nitrobenzoyl)naphthalen-2-yl 4-nitrobenzoate","Acta Crystallographica Section E","2011","67","8","o2040","","10.1107/S1600536811027619","","","1.54187","CuKα","","0.0546","0.0412","","","0.1111","0.1236","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231171","9.352","0.0002","12.7553","0.0003","24.1148","0.0008","90","","90","","90","","2876.6","0.13","290","2","290","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-Methyl {[(2-carboxybicyclo[2.2.2]octan-1-yl)ammonio]methyl}phosphonate dichloromethane 0.25-solvate","","- C11.25 H20.5 Cl0.5 N O5 P -","- C11.25 H20.5 Cl0.5 N O5 P -","- C90 H164 Cl4 N8 O40 P8 -","8","2","IS2751","Todorov, Petar; Calmes, Monique; Shivachev, Boris L.; Nikolova, Rosica P.","(<i>R</i>)-Methyl {[(2-carboxybicyclo[2.2.2]octan-1-yl)ammonio]methyl}phosphonate dichloromethane 0.25-solvate","Acta Crystallographica Section E","2011","67","8","o2152","o2153","10.1107/S1600536811029503","","","1.5418","CuKα","","0.0998","0.0704","","","0.181","0.2046","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231172","6.2811","0.0002","9.4698","0.0003","16.3936","0.0005","90","","92.645","0.003","90","","974.06","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-Ethyl 2-cyano-3-(1<i>H</i>-pyrrol-2-yl)acrylate","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","IS2752","Yuvaraj, Haldorai; Gayathri, D.; Kalkhambkar, Rajesh G.; Gupta, Vivek K.; Rajnikant","(<i>E</i>)-Ethyl 2-cyano-3-(1<i>H</i>-pyrrol-2-yl)acrylate","Acta Crystallographica Section E","2011","67","8","o2135","","10.1107/S1600536811028790","","","0.71073","MoKα","","0.0477","0.0388","","","0.1068","0.1129","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231173","8.0672","0.0005","10.646","0.0007","20.5892","0.0013","90","","90.332","0.001","90","","1768.24","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-cyano-2-{2-[5,6-dimethyl-4-(thiophen-2-yl)-1<i>H</i>-pyrazolo[3,4- <i>b</i>]pyridin-3-yl]hydrazinylidene}acetate","","- C17 H16 N6 O2 S -","- C17 H16 N6 O2 S -","- C68 H64 N24 O8 S4 -","4","1","IS2753","Fun, Hoong-Kun; Hemamalini, Madhukar; Abdel-Aziz, Hatem A.; Aboul-Fadl, Tarek","(<i>Z</i>)-Ethyl 2-cyano-2-{2-[5,6-dimethyl-4-(thiophen-2-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-3-yl]hydrazinylidene}acetate","Acta Crystallographica Section E","2011","67","8","o2145","o2146","10.1107/S1600536811028911","","","0.71073","MoKα","","0.0821","0.0631","","","0.1971","0.2185","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231174","13.799","0.002","12.998","0.002","14.594","0.002","90","","104.514","0.004","90","","2534","0.6","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc acetonitrile monosolvate","","- C27 H22 Cl2 Fe N4 Zn -","- C27 H22 Cl2 Fe N4 Zn -","- C108 H88 Cl8 Fe4 N16 Zn4 -","4","1","JH2301","Tang, Si-Ping; Feng, Yong-Lan; Kuang, Dai-Zhi","Dichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","8","m1017","","10.1107/S1600536811024950","","","0.71073","MoKα","","0.0842","0.0501","","","0.1103","0.1307","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231175","21.435","0.004","5.274","0.0011","14.164","0.003","90","","116.65","0.03","90","","1431.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(1<i>H</i>-imidazole-κ<i>N^3^</i>)copper(II)]-μ- benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C14 H12 Cu N4 O4 -","- C14 H12 Cu N4 O4 -","- C56 H48 Cu4 N16 O16 -","4","0.5","JH2303","Xu, Qian","<i>catena</i>-Poly[[bis(1<i>H</i>-imidazole-κ<i>N^3^</i>)copper(II)]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section E","2011","67","8","m1014","","10.1107/S1600536811024822","","","0.71073","MoKα","","0.0394","0.0327","","","0.0818","0.0852","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231176","12.942","0.003","25.118","0.005","5.4353","0.0011","90","","90","","90","","1766.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,2'-Bipyridine‒cyclopentane-1,2,3,4-tetracarboxylic acid (1/1)","","- C19 H18 N2 O8 -","- C19 H18 N2 O8 -","- C76 H72 N8 O32 -","4","0.5","JH2304","Lin, Jian-Li; Guo, Xia-Xia; Huang, Wen-Xiang","2,2'-Bipyridine‒cyclopentane-1,2,3,4-tetracarboxylic acid (1/1)","Acta Crystallographica Section E","2011","67","8","o1945","","10.1107/S1600536811025827","","","0.71073","MoKα","","0.061","0.0379","","","0.0794","0.0888","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231177","13.974","0.006","11.935","0.005","34.494","0.014","90","","90","","90","","5753","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>- carbazole","","- C30 H35 B2 N O4 -","- C30 H35 B2 N O4 -","- C240 H280 B16 N8 O32 -","8","1","JH2305","Wu, Weibing; Tang, Jinan","9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2011","67","8","o1919","","10.1107/S1600536811025645","","","0.71073","MoKα","","0.1141","0.0933","","","0.2256","0.2416","","","","","","1.155","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231178","6.056","0.003","12.895","0.007","13.344","0.007","112.796","0.009","100.336","0.01","97.951","0.01","919.9","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Methoxybenzoyl)-1,1-diphenylthiourea","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C42 H36 N4 O4 S2 -","2","1","JH2306","Md Nasir, Mohd Faizal; Hassan, Ibrahim N.; M. Yamin, Bohari; Daud, W. R. W; Kassim, Mohammad B.","3-(3-Methoxybenzoyl)-1,1-diphenylthiourea","Acta Crystallographica Section E","2011","67","8","o1947","o1948","10.1107/S1600536811025785","","","0.71073","MoKα","","0.0533","0.0379","","","0.0971","0.1104","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231179","5.1687","0.0003","28.5511","0.0013","7.8006","0.0004","90","","98.152","0.005","90","","1139.52","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2-Diphenylacetamide","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","2","JH2307","Jasinski, Jerry P.; Golen, James A.; Siddegowda, M. S.; Yathirajan, H. S.; Swamy, M. T.","2,2-Diphenylacetamide","Acta Crystallographica Section E","2011","67","8","o1992","o1993","10.1107/S1600536811026717","","","1.54178","CuKα","","0.0383","0.037","","","0.1051","0.1069","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231180","26.529","0.005","4.7453","0.0009","22.717","0.005","90","","124.24","0.03","90","","2364.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4,6-Trimethylanilinium chloroacetate","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C88 H128 Cl8 N8 O16 -","8","1","JH2308","Tao, Rong","2,4,6-Trimethylanilinium chloroacetate","Acta Crystallographica Section E","2011","67","8","o1997","","10.1107/S1600536811026936","","","0.71073","MoKα","","0.0843","0.0565","","","0.1542","0.1794","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231181","7.0496","0.0014","14.404","0.003","17.583","0.004","90","","90","","90","","1785.4","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[(dichloridocadmium)-di-μ-chlorido- [bis(morpholinium-κ<i>O</i>)cadmium]-di-μ-chlorido]","","- C8 H20 Cd2 Cl6 N2 O2 -","- C8 H20 Cd2 Cl6 N2 O2 -","- C32 H80 Cd8 Cl24 N8 O8 -","4","1","JH2310","Wang, Wen-xiang; Dai, Jing","<i>catena</i>-Poly[(dichloridocadmium)-di-μ-chlorido-[bis(morpholinium-κ<i>O</i>)cadmium]-di-μ-chlorido]","Acta Crystallographica Section E","2011","67","8","m1144","","10.1107/S160053681102914X","","","0.71073","MoKα","","0.0252","0.0228","","","0.0499","0.0506","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231182","4.259","0.0005","8.6742","0.0007","12.0831","0.0011","74.171","0.001","82.248","0.002","79.028","0.001","419.98","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3,5-Dibromosalicylaldoxime","2,4-Dibromo-6-[(hydroxyimino)methyl]phenol","","- C7 H5 Br2 N O2 -","- C7 H5 Br2 N O2 -","- C14 H10 Br4 N2 O4 -","2","1","JH2311","Luo, Yang-Hui; Xu, Jian; Pan, Mei-Ling; Li, Jin-Feng","2,4-Dibromo-6-[(hydroxyimino)methyl]phenol","Acta Crystallographica Section E","2011","67","8","o2099","","10.1107/S1600536811028741","","","0.71073","MoKα","","0.0869","0.0626","","","0.1479","0.1602","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231183","10.729","0.002","16.43","0.003","17.996","0.004","90","","90","","90","","3172.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-μ-chlorido]]","","- C27 H42 Cd Cl5 N3 -","- C27 H42 Cd Cl5 N3 -","- C108 H168 Cd4 Cl20 N12 -","4","1","JH2312","Rong, Tao","<i>catena</i>-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-μ-chlorido]]","Acta Crystallographica Section E","2011","67","8","m1139","","10.1107/S1600536811028650","","","0.71073","MoKα","","0.0368","0.0326","","","0.0662","0.0677","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231184","12.604","0.002","17.188","0.003","20.99","0.004","103.564","0.003","97.322","0.003","107.658","0.003","4114.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetato-bis(dimethylformamide)pentakis(μ- <i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(1- ethylimidazole)pentamanganese(III)manganese(II)‒ diethyl ether‒dimethylforamide‒methanol‒water (1/1/1/1/0.12)","","- C73 H93.24838 Mn6 N16 O24.12419 -","- C73 H93.248 Mn6 N16 O24.124 -","- C146 H186.496 Mn12 N32 O48.248 -","2","1","JJ2091","Tigyer, Benjamin R.; Zeller, Matthias; Zaleski, Curtis M.","Di-μ-acetato-bis(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(1-ethylimidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylforamide‒methanol‒water (1/1/1/1/0.12)","Acta Crystallographica Section E","2011","67","8","m1041","m1042","10.1107/S160053681102602X","","","0.71073","MoKα","","0.0769","0.0585","","","0.1375","0.1483","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231185","13.1371","0.0012","10.0847","0.0011","18.9643","0.0019","90","","101.864","0.001","90","","2458.8","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-3,5-difluorobenzoato- κ^2^<i>O</i>:<i>O</i>']","","- C10 H12 F2 O2 Sn -","- C10 H12 F2 O2 Sn -","- C80 H96 F16 O16 Sn8 -","8","1","JJ2092","Liu, Hong; Yin, Handong","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-3,5-difluorobenzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","8","m1030","","10.1107/S1600536811025608","","","0.71073","MoKα","","0.0474","0.0318","","","0.0637","0.0734","","","","","","1.166","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231186","5.602","0.0001","7.426","0.0002","34.522","0.0008","90","","91.225","0.001","90","","1435.8","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1<i>E</i>,5<i>E</i>)-1,5-bis(2-hydroxybenzylidene)thiocarbonohydrazide","","- C15 H14 N4 O2 S -","- C15 H14 N4 O2 S -","- C60 H56 N16 O8 S4 -","4","1","KJ2182","Schmitt, Bonell; Gerber, Thomas; Hosten, Eric; Betz, Richard","A monoclinic polymorph of (1<i>E</i>,5<i>E</i>)-1,5-bis(2-hydroxybenzylidene)thiocarbonohydrazide","Acta Crystallographica Section E","2011","67","8","o2206","o2207","10.1107/S1600536811030340","","","0.71069","MoKα","","0.0665","0.0484","","","0.1087","0.1155","","","","","","1.113","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231187","22.437","0.0011","11.106","0.0005","16.572","0.0009","90","","112.904","0.001","90","","3803.9","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Triethylammonium hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-diacetato- κ^2^<i>O</i>-aqua-μ~3~-oxido-triferrate(III) toluene monosolvate","","- C29 H50 Fe3 N O18 -","- C29 H50 Fe3 N O18 -","- C116 H200 Fe12 N4 O72 -","4","1","KP2323","Burgoyne, Andrew R.; Meijboom, Reinout; Muller, Alfred; Omondi, Bernard O.","Triethylammonium hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-diacetato-κ^2^<i>O</i>-aqua-μ~3~-oxido-triferrate(III) toluene monosolvate","Acta Crystallographica Section E","2011","67","8","m1092","m1093","10.1107/S160053681102616X","","","0.71073","MoKα","","0.0474","0.0404","","","0.0947","0.0985","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231188","9.3027","0.0018","12.09","0.002","8.8738","0.0017","90","","105.927","0.002","90","","959.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(3-methylpyridine)copper(I)]-μ-cyanido-copper(I)-\ μ-cyanido]","","- C8 H7 Cu2 N3 -","- C8 H7 Cu2 N3 -","- C32 H28 Cu8 N12 -","4","1","KP2324","Cai, Jin-Biao; Chen, Ting-Ting; Xie, Ze-Ying; Deng, Hong","<i>catena</i>-Poly[[(3-methylpyridine)copper(I)]-μ-cyanido-copper(I)-μ-cyanido]","Acta Crystallographica Section E","2011","67","8","m1136","m1137","10.1107/S1600536811028509","","","0.71073","MoKα","","0.0526","0.0418","","","0.1099","0.118","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231189","8.7681","0.0018","13.418","0.003","16.41","0.003","83.83","0.03","84.41","0.03","75.09","0.03","1849.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ~4~-glutarato-di-μ~3~-glutarato-bis(1,10-phenanthroline)diyttrium(III)]","","- C39 H34 N4 O12 Y2 -","- C39 H34 N4 O12 Y2 -","- C78 H68 N8 O24 Y4 -","2","1","KP2336","Jin, Ling; Zhu, Hong-lin","Poly[μ~4~-glutarato-di-μ~3~-glutarato-bis(1,10-phenanthroline)diyttrium(III)]","Acta Crystallographica Section E","2011","67","8","m1088","","10.1107/S1600536811027188","","","0.71073","MoKα","","0.0849","0.0447","","","0.0667","0.0763","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231190","11.0976","0.0011","10.4422","0.0009","23.9903","0.0017","90","","90","","90","","2780.1","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-3-pyridylmethylidene]-2-naphthohydrazide","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C136 H104 N24 O16 -","8","1","KP2338","Li, Chuan; Zhang, Xiuyun; Wu, Qingkun; Yin, Handong","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-3-pyridylmethylidene]-2-naphthohydrazide","Acta Crystallographica Section E","2011","67","8","o1912","","10.1107/S1600536811025591","","","0.71073","MoKα","","0.087","0.0389","","","0.0817","0.1093","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231191","5.89","0.005","10.3","0.01","19.71","0.019","90","","90","","90","","1195.7","1.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2<i>H</i>-1-benzopyran-2-carbonitrile","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","KP2339","Brzezinski, Krzysztof; Baj, Aneta; Wałejko, Piotr; Witkowski, Stanisław; Dauter, Zbigniew","6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2<i>H</i>-1-benzopyran-2-carbonitrile, from synchrotron data","Acta Crystallographica Section E","2011","67","8","o1901","","10.1107/S1600536811025517","","","0.75","synchrotron","","0.0322","0.0322","","","0.0889","0.0889","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231192","9.2697","0.0009","16.1943","0.0016","8.0332","0.0008","90","","104.395","0.002","90","","1168.1","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,2,2-Tetrakis(1,3-benzoxazol-2-yl)ethene","","- C30 H16 N4 O4 -","- C30 H16 N4 O4 -","- C60 H32 N8 O8 -","2","0.5","KP2340","Hagos, Tesfamariam K.; Nogai, Stefan D.; Dobrzańska, Liliana; Cronje, Stephanie; Raubenheimer, Helgard G.","1,1,2,2-Tetrakis(1,3-benzoxazol-2-yl)ethene","Acta Crystallographica Section E","2011","67","8","o2014","","10.1107/S1600536811026924","","","0.71073","MoKα","","0.0534","0.0485","","","0.1171","0.1208","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231193","7.944","0.003","11.389","0.004","24.007","0.004","100.92","0.04","91.63","0.03","95.17","0.04","2121.7","1.2","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-Dimethyl [(9-anthryl)(4-methylanilino)methyl]phosphonate","","- C24 H24 N O3 P -","- C24 H24 N O3 P -","- C96 H96 N4 O12 P4 -","4","2","KP2342","Kraicheva, Ivanka; Tsacheva, Ivelina; Vodenicharova, Elitsa; Tashev, Emil; Troev, Kolio","<i>rac</i>-Dimethyl [(9-anthryl)(4-methylanilino)methyl]phosphonate","Acta Crystallographica Section E","2011","67","8","o2045","","10.1107/S1600536811027711","","","0.71073","MoKα","","0.2792","0.0897","","","","0.2777","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231194","11.3091","0.001","12.6699","0.0012","12.2405","0.0011","90","","116.005","0.001","90","","1576.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1-(4-chlorobenzyl)pyridinium] bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II)","","- C28 H22 Cl2 N6 Ni S6 -","- C28 H22 Cl2 N6 Ni S6 -","- C56 H44 Cl4 N12 Ni2 S12 -","2","0.5","KP2343","Wang, Zhi-min; Wang, Fang-quan; Liu, Zi-yang","Bis[1-(4-chlorobenzyl)pyridinium] bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II)","Acta Crystallographica Section E","2011","67","8","m1143","","10.1107/S160053681102873X","","","0.71073","MoKα","","0.0264","0.0241","","","0.0601","0.0615","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231195","12.673","0.003","13.816","0.003","10.956","0.002","90","","114.04","0.03","90","","1751.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(aqualithium)-μ-3-carboxypyrazine-2-carboxylato- κ^4^<i>O</i>^2^,<i>N</i>^1^:<i>O</i>^3^,<i>N</i>^4^] monohydrate]","","- C6 H7 Li N2 O6 -","- C6 H7 Li N2 O6 -","- C48 H56 Li8 N16 O48 -","8","2","KP2344","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[(aqualithium)-μ-3-carboxypyrazine-2-carboxylato-κ^4^<i>O</i>^2^,<i>N</i>^1^:<i>O</i>^3^,<i>N</i>^4^] monohydrate]","Acta Crystallographica Section E","2011","67","8","m1133","m1134","10.1107/S160053681102887X","","","0.71073","MoKα","","0.1264","0.0455","","","0.1171","0.1487","","","","","","0.941","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231196","16.34","0.02","8.459","0.01","14.862","0.018","90","","109.869","0.011","90","","1932","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzoyl-<i>N</i>-(3-methylphenyl)-<i>O</i>-[2-(2- nitrophenyl)acetyl]hydroxylamine","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","LD2012","Zhang, Kai; He, Dian","<i>N</i>-Benzoyl-<i>N</i>-(3-methylphenyl)-<i>O</i>-[2-(2-nitrophenyl)acetyl]hydroxylamine","Acta Crystallographica Section E","2011","67","8","o1966","","10.1107/S1600536811025864","","","0.71073","MoKα","","0.088","0.0501","","","","0.1233","","","1","","","1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231197","10.193","0.0002","16.8789","0.0003","10.4588","0.0003","90","","90","","90","","1799.4","0.07","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Phenyl bis(<i>m</i>-tolylamido)phosphinate","","- C20 H21 N2 O2 P -","- C20 H21 N2 O2 P -","- C80 H84 N8 O8 P4 -","4","1","LD2017","Pourayoubi, Mehrdad; Eshtiagh-Hosseini, Hossein; Negari, Monireh; Nečas, Marek","Phenyl bis(<i>m</i>-tolylamido)phosphinate","Acta Crystallographica Section E","2011","67","8","o1870","","10.1107/S1600536811024846","","","0.71073","MoKα","","0.0236","0.0218","","","0.0614","0.062","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231198","9.1652","0.0018","11.814","0.002","12.353","0.003","79.67","0.03","73.38","0.03","84.91","0.03","1259.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1',3',4',5',7',8'-Hexafluoro-1,1'',2,2'',3,3'',4,4''-octaphenyl-2',6'- dihydrodispiro[cyclopenta-1,3-diene-5,2'-naphthalene-6',5''-cyclopenta- 1'',3''-diene] dichloromethane monosolvate","1',3',4',5',7',8'-hexafluoro-2,2'',3,3'',4,4'',5,5''- octaphenyldispiro[cyclopentane-1,2'-naphthalene-6',1''-cyclopentane]- 2,2'',4,4''-tetraene","","- C67 H42 Cl2 F6 -","- C67 H42 Cl2 F6 -","- C67 H42 Cl2 F6 -","1","0.5","LD2019","Li, Shuhong","1',3',4',5',7',8'-Hexafluoro-1,1'',2,2'',3,3'',4,4''-octaphenyl-2',6'-dihydrodispiro[cyclopenta-1,3-diene-5,2'-naphthalene-6',5''-cyclopenta-1'',3''-diene] dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","8","o2208","","10.1107/S1600536811030285","","","0.71069","MoKα","","0.1204","0.0916","","","0.1979","0.2129","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231199","7.6795","0.0014","13.067","0.003","28.084","0.005","90","","90","","90","","2818.2","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane-3,12,25-triol","","- C30 H52 O4 -","- C30 H52 O4 -","- C120 H208 O16 -","4","1","LH5260","Li, Wen-Juan; Guo, Huan-Mei; Ji, Chun-Mei; Bi, Yi; Meng, Qing-Guo","(3<i>S</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane-3,12,25-triol","Acta Crystallographica Section E","2011","67","8","o2112","","10.1107/S1600536811028418","","","0.71073","MoKα","","0.1026","0.0615","","","0.1144","0.128","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231200","12.722","0.003","9.2669","0.0019","13.537","0.003","90","","98.83","0.03","90","","1577","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","LH5270","Zeng, Wu-Lan","2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2011","67","8","o1937","","10.1107/S1600536811026201","","","0.71073","MoKα","","0.0504","0.0431","","","0.1242","0.1309","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231201","9.4442","0.0018","14.116","0.003","11.7555","0.0016","90","","115.067","0.011","90","","1419.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-Dichloro-1-(3,3,6-trimethyl-9-oxo-1,5-diazabicyclo[4.3.0]nonan-5-yl)ethanone","","- C12 H18 Cl2 N2 O2 -","- C12 H18 Cl2 N2 O2 -","- C48 H72 Cl8 N8 O8 -","4","1","LH5271","Fu, Ying; Ye, Fei","2,2-Dichloro-1-(3,3,6-trimethyl-9-oxo-1,5-diazabicyclo[4.3.0]nonan-5-yl)ethanone","Acta Crystallographica Section E","2011","67","8","o2020","","10.1107/S1600536811027176","","","0.71073","MoKα","","0.0649","0.0443","","","0.1138","0.1288","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231202","7.5471","0.0015","7.9415","0.0016","16.198","0.003","99.79","0.03","92.32","0.03","112.22","0.03","879.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>- 1,2,4-triazole}sulfatocobalt(II) dihydrate","","- C9 H20 Co N6 O10 S -","- C9 H20 Co N6 O10 S -","- C18 H40 Co2 N12 O20 S2 -","2","1","LH5272","Li, Yu-xian; Li, Da-wei; Zhao, Dong","Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole}sulfatocobalt(II) dihydrate","Acta Crystallographica Section E","2011","67","8","m1078","","10.1107/S1600536811027231","","","0.71073","MoKα","","0.0319","0.0295","","","0.0679","0.0694","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231203","8.942","0.0002","11.2443","0.0002","11.3536","0.0002","90","","109.716","0.001","90","","1074.64","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-Di-<i>n</i>-propyl-1,1'-[<i>p</i>-phenylenebis(methylene)]diimidazolium dibromide","","- C20 H28 Br2 N4 -","- C20 H28 Br2 N4 -","- C40 H56 Br4 N8 -","2","0.5","LH5273","Haque, Rosenani A.; Nasri, S. Fatimah; Hemamalini, Madhukar; Fun, Hoong-Kun","3,3'-Di-<i>n</i>-propyl-1,1'-[<i>p</i>-phenylenebis(methylene)]diimidazolium dibromide","Acta Crystallographica Section E","2011","67","8","o1931","","10.1107/S1600536811026146","","","0.71073","MoKα","","0.0455","0.0301","","","0.0717","0.0775","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231204","7.2852","0.0001","15.2715","0.0002","11.5382","0.0001","90","","96.304","0.001","90","","1275.93","0.03","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-[(<i>E</i>)-4-Chlorobenzylidene]-2,4-dimethylaniline","","- C15 H14 Cl N -","- C15 H14 Cl N -","- C60 H56 Cl4 N4 -","4","1","LH5274","Fun, Hoong-Kun; Quah, Ching Kheng; Viveka, S.; Madhukumar, D. J.; Prasad, D. Jagadeesh","<i>N</i>-[(<i>E</i>)-4-Chlorobenzylidene]-2,4-dimethylaniline","Acta Crystallographica Section E","2011","67","8","o1932","","10.1107/S1600536811026109","","","0.71073","MoKα","","0.0336","0.0313","","","0.0766","0.0784","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231205","7.3161","0.0004","12.0287","0.0007","28.1634","0.0015","90","","90","","90","","2478.5","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(<i>E</i>)-(2,4-Dimethylphenyl)iminomethyl]phenol","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","LH5275","Fun, Hoong-Kun; Quah, Ching Kheng; Viveka, S.; Madhukumar, D. J.; Nagaraja, G. K.","2-[(<i>E</i>)-(2,4-Dimethylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","8","o1933","","10.1107/S1600536811026110","","","0.71073","MoKα","","0.0515","0.0396","","","0.1106","0.122","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231206","12.8847","0.0016","6.9505","0.0009","14.4265","0.0018","90","","96.612","0.002","90","","1283.4","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-(2,4,6-Trichlorophenyl)iminomethyl]phenol","","- C13 H8 Cl3 N O -","- C13 H8 Cl3 N O -","- C52 H32 Cl12 N4 O4 -","4","1","LH5276","Fun, Hoong-Kun; Quah, Ching Kheng; Viveka, S.; Madhukumar, D. J.; Nagaraja, G. K.","2-[(<i>E</i>)-(2,4,6-Trichlorophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","8","o1934","","10.1107/S1600536811026122","","","0.71073","MoKα","","0.07","0.0425","","","0.1051","0.124","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231207","7.8739","0.0003","11.188","0.0005","11.7618","0.0006","73.609","0.004","76.945","0.004","79.342","0.004","960.15","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(2-amino-4-methylpyridinium) <i>cyclo</i>-tetra-μ~2~-oxido-tetrakis[dioxidovanadate(V)] tetrahydrate","","- C24 H44 N8 O16 V4 -","- C24 H40 N8 O16 V4 -","- C24 H40 N8 O16 V4 -","1","0.5","LH5277","Tabatabaee, Masoumeh; Ahadiat, Ghasem; Molčanov, Krešimir","Tetrakis(2-amino-4-methylpyridinium) <i>cyclo</i>-tetra-μ~2~-oxido-tetrakis[dioxidovanadate(V)] tetrahydrate","Acta Crystallographica Section E","2011","67","8","m1090","","10.1107/S1600536811026912","","","1.54179","CuKα","","","0.0436","","","","0.1293","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231208","4.8645","0.0002","7.3283","0.0002","20.7228","0.0006","90","","93.71","0.002","90","","737.19","0.04","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[(nitrito-κ^2^<i>O</i>,<i>O</i>')silver(I)]- μ-1,2-bis[1-(pyridin-4-yl)ethylidene]hydrazine-κ^2^<i>N</i>:<i>N</i>']","","- C14 H14 Ag N5 O2 -","- C14 H14 Ag N5 O2 -","- C28 H28 Ag2 N10 O4 -","2","0.5","LH5278","Kennedy, Alan R.; Okoth, Maurice O.; Walsh, David","<i>catena</i>-Poly[[(nitrito-κ^2^<i>O</i>,<i>O</i>')silver(I)]-μ-1,2-bis[1-(pyridin-4-yl)ethylidene]hydrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","8","m1138","","10.1107/S1600536811028546","","","0.71073","MoKα","","0.0314","0.0228","","","0.0456","0.0479","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231209","6.8953","0.0006","11.4266","0.0013","11.7287","0.0014","107.965","0.01","90.906","0.008","91.769","0.008","878.32","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)-3-methoxybenzaldehyde tetrahydrate","","- C16 H22 N2 O7 -","- C16 H22 N2 O7 -","- C32 H44 N4 O14 -","2","1","LH5279","Jasinski, Jerry P.; Golen, James A.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)-3-methoxybenzaldehyde tetrahydrate","Acta Crystallographica Section E","2011","67","8","o2021","o2022","10.1107/S1600536811027164","","","0.71073","MoKα","","0.0649","0.0493","","","0.1384","0.1519","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231210","6.3152","0.0002","10.8168","0.0003","11.4545","0.0003","84.115","0.0009","77.6","0.0009","76.177","0.0009","740.99","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Benzyl-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one","","- C17 H13 N O S2 -","- C17 H13 N O S2 -","- C34 H26 N2 O2 S4 -","2","1","LH5281","Shahwar, Durre; Raza, Muhammad Asam; Aslam, Saherish; Mehmood, Sumbal; Tariq, Sidra; Asiri, Abdullah M.","3-Benzyl-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","8","o2083","","10.1107/S1600536811027450","","","0.71073","MoKα","","0.0468","0.0359","","","0.0917","0.1014","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231211","8.0209","0.0002","9.2028","0.0002","18.7004","0.0004","98.536","0.001","96.721","0.001","100.515","0.001","1327.33","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium hydroxonium bis(pyridine-2,6-dicarboxylato)cobaltate(II) pyridine-2,6-dicarboxylic acid monohydrate","","- C23 H22 Co N8 O14 -","- C23 H22 Co N8 O14 -","- C46 H44 Co2 N16 O28 -","2","1","LH5282","Yousuf, S.; Johnson, A. S.; Kazmi, S. A.; Hemamalini, Madhukar; Fun, Hoong-Kun","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium hydroxonium bis(pyridine-2,6-dicarboxylato)cobaltate(II) pyridine-2,6-dicarboxylic acid monohydrate","Acta Crystallographica Section E","2011","67","8","m1105","m1106","10.1107/S1600536811027917","","","0.71073","MoKα","","0.0282","0.0269","","","0.0714","0.0721","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231212","14.2542","0.0007","16.3273","0.0009","10.1584","0.0006","90","","96.372","0.001","90","","2349.6","0.2","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Chlorophenyl)-2-({5-[4-(methylsulfanyl)benzyl]-4-phenyl-4<i>H</i>- 1,2,4-triazol-3-yl}sulfanyl)acetamide","","- C24 H21 Cl N4 O S2 -","- C24 H21 Cl N4 O S2 -","- C96 H84 Cl4 N16 O4 S8 -","4","1","LH5283","Fun, Hoong-Kun; Yeap, Chin Sing; Manjunath, K.; Prasad, D. Jagadeesh; Poojary, Boja","<i>N</i>-(2-Chlorophenyl)-2-({5-[4-(methylsulfanyl)benzyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)acetamide","Acta Crystallographica Section E","2011","67","8","o2063","","10.1107/S1600536811027565","","","0.71073","MoKα","","0.0774","0.0493","","","0.1394","0.1586","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231213","7.7345","0.0004","10.6196","0.0006","11.3463","0.0004","96.425","0.002","100.068","0.003","109.576","0.001","849.84","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-(2-Chloro-6,7-dimethylquinolin-3-yl)-2,3-dihydroquinolin-4(1<i>H</i>)-one","","- C20 H17 Cl N2 O -","- C20 H17 Cl N2 O -","- C40 H34 Cl2 N4 O2 -","2","1","LH5284","Benzerka, Saida; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","2-(2-Chloro-6,7-dimethylquinolin-3-yl)-2,3-dihydroquinolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2084","o2085","10.1107/S1600536811028170","","","0.71073","MoKα","","0.085","0.0482","","","0.114","0.1333","","","","","","1.004","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231214","6.9936","0.0008","7.8608","0.0009","14.6708","0.0016","87.079","0.019","81.813","0.019","73.597","0.017","765.77","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","m-Nitroanilinium chloride","3-nitroanilinium chloride","","- C6 H7 Cl N2 O2 -","- C6 H7 Cl N2 O2 -","- C24 H28 Cl4 N8 O8 -","4","2","LH5286","Thangarasu, S.; Athimoolam, S.; Bahadur, S. Asath","A triclinic polymorph of 3-nitroanilinium chloride","Acta Crystallographica Section E","2011","67","8","o2124","","10.1107/S1600536811029072","","","0.71073","MoKα","","0.0422","0.0387","","","0.1354","0.1387","","","","","","1.217","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231215","9.131","0.005","19.333","0.005","11.291","0.005","90","","99.247","0.005","90","","1967.3","1.5","291","2","291","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","<i>p</i>-Tolyl bis(cyclohexylamido)phosphinate","1-{[bis(phenylamino)phosphoryl]oxy}-4-methylbenzene","","- C19 H31 N2 O2 P -","- C19 H31 N2 O2 P -","- C76 H124 N8 O8 P4 -","4","1","LH5287","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Taghizadeh, Afsaneh; Ghoreishi, Farnaz; Vahdani, Banafsheh","<i>p</i>-Tolyl bis(cyclohexylamido)phosphinate","Acta Crystallographica Section E","2011","67","8","o2167","","10.1107/S1600536811029722","","","0.71069","MoKα","","0.1755","0.0517","","","0.0704","0.0903","","","","","","0.76","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231216","18.269","0.005","27.564","0.007","18.115","0.005","90","","90","","90","","9122","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","","- C26 H26 N4 O S -","- C26 H26 N4 O S -","- C416 H416 N64 O16 S16 -","16","2","LH5288","Chen, Hong","7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2191","","10.1107/S1600536811029771","","","0.71073","MoKα","","0.0817","0.0584","","","0.1396","0.1574","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231217","16.1375","0.0006","16.1375","0.0006","7.5887","0.0006","90","","90","","90","","1976.24","0.19","89","2","89","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","5-Chloro-6-hydroxy-7,8-dimethylchroman-2-one","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C88 H88 Cl8 O24 -","8","1","LH5289","Cameron, Scott A.; Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","5-Chloro-6-hydroxy-7,8-dimethylchroman-2-one","Acta Crystallographica Section E","2011","67","8","o2141","o2142","10.1107/S1600536811029345","","","0.71073","MoKα","","0.0678","0.0497","","","0.1313","0.1425","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231218","28.3309","0.0005","10.2447","0.0002","20.0969","0.0004","90","","130.296","0.001","90","","4448.87","0.16","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-Benzyl-3-[3-(naphthalen-2-yloxy)propyl]imidazolium hexafluorophosphate","","- C23 H23 F6 N2 O P -","- C23 H23 F6 N2 O P -","- C184 H184 F48 N16 O8 P8 -","8","1","LR2017","Huang, Kun; Du, Bin-Xin; Liu, Chang-Lu","1-Benzyl-3-[3-(naphthalen-2-yloxy)propyl]imidazolium hexafluorophosphate","Acta Crystallographica Section E","2011","67","8","o2062","","10.1107/S1600536811026663","","","0.71073","MoKα","","0.0753","0.0565","","","0.1308","0.145","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231219","11.371","0.002","16.113","0.003","27.34","0.006","90","","90.75","0.03","90","","5008.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-Oxido-bis{bis[(pentafluorophenyl)methanolato](η^5^- pentamethylcyclopentadienyl)titanium(IV)}","","- C48 H38 F20 O5 Ti2 -","- C48 H38 F20 O5 Ti2 -","- C192 H152 F80 O20 Ti8 -","4","1","LR2018","Lee, Junseong; Kim, Youngjo","μ-Oxido-bis{bis[(pentafluorophenyl)methanolato](η^5^-pentamethylcyclopentadienyl)titanium(IV)}","Acta Crystallographica Section E","2011","67","8","m1104","","10.1107/S1600536811027814","","","0.71073","MoKα","","0.1422","0.0753","","","0.1888","0.221","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231220","18.037","0.003","17.201","0.003","21.589","0.004","90","","108.722","0.01","90","","6344","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>RS</i>,3<i>SR</i>,10<i>SR</i>,11<i>RS</i>)-3,10-Diphenoxy-18,21-dioxa-5,8- diazapentacyclo[20.4.0.0^2,5^.0^8,11^.0^12,17^]hexacosa- 1(26),12,14,16,22,24-hexaene-4,9-dione ethyl acetate hemisolvate","","- C36 H34 N2 O7 -","- C36 H34 N2 O7 -","- C288 H272 N16 O56 -","8","2","LW2069","Suresh, J.; Arumugam, Natarajan; Almansour, Abdulrahman I.; Karama, Usama; Lakshman, P. L. Nilantha","(2<i>RS</i>,3<i>SR</i>,10<i>SR</i>,11<i>RS</i>)-3,10-Diphenoxy-18,21-dioxa-5,8-diazapentacyclo[20.4.0.0^2,5^.0^8,11^.0^12,17^]hexacosa-1(26),12,14,16,22,24-hexaene-4,9-dione ethyl acetate hemisolvate","Acta Crystallographica Section E","2011","67","8","o2203","","10.1107/S1600536811030200","","","0.71075","MoKα","","0.1115","0.053","","","0.1398","0.1748","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231221","4.8582","0.0002","14.0236","0.0005","16.8636","0.0005","90","","90","","90","","1148.91","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","LW2071","Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk","(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone","Acta Crystallographica Section E","2011","67","8","o2180","","10.1107/S1600536811030042","","","0.71073","MoKα","","0.036","0.0299","","","0.0795","0.0834","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231222","10.616","0.002","12.627","0.003","12.896","0.003","108.46","0.03","104.69","0.03","93.88","0.03","1565.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium bromide","","- C17 H24 Br N O -","- C17 H24 Br N O -","- C68 H96 Br4 N4 O4 -","4","2","LX2188","Rong, Tao","<i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium bromide","Acta Crystallographica Section E","2011","67","8","o1979","","10.1107/S1600536811026742","","","0.71073","MoKα","","0.07","0.0454","","","0.0967","0.1076","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231223","3.9677","0.0001","13.3259","0.0004","20.3397","0.0007","90","","90","","90","","1075.42","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-phenylisatin","1-phenylindole-2,3-dione","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","LX2190","Shukla, Deepak; Rajeswaran, Manju","1-Phenylisatin","Acta Crystallographica Section E","2011","67","8","o2034","","10.1107/S1600536811027334","","","0.71073","MoKα","","0.0622","0.0377","","","0.0729","0.0806","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231224","8.8291","0.0019","10.533","0.002","19.139","0.004","90","","92.955","0.003","90","","1777.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Methyl 2-chloro-4-dicyclohexylamino-4-oxobut-2-enoate","","- C17 H26 Cl N O3 -","- C17 H26 Cl N O3 -","- C68 H104 Cl4 N4 O12 -","4","1","LX2191","Liu, Cai-Mei; Xue, Fu-Ling; Fu, Jian-Hua; Wang, Zhao-Yang","(<i>E</i>)-Methyl 2-chloro-4-dicyclohexylamino-4-oxobut-2-enoate","Acta Crystallographica Section E","2011","67","8","o2051","","10.1107/S1600536811027760","","","0.71073","MoKα","","0.0804","0.0531","","","0.1411","0.1601","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231225","16.122","0.002","16.122","0.002","12.446","0.003","90","","90","","90","","3235","1","150","2","150","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","2-Amino-3-carboxypyridinium nitrate","","- C6 H7 N3 O5 -","- C6 H7 N3 O5 -","- C96 H112 N48 O80 -","16","1","LX2193","Berrah, Fadila; Bouacida, Sofiane; Roisnel, Thierry","2-Amino-3-carboxypyridinium nitrate","Acta Crystallographica Section E","2011","67","8","o2057","o2058","10.1107/S1600536811027978","","","0.71073","MoKα","","0.1093","0.0593","","","0.1308","0.1577","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231226","5.348","0.0004","18.111","0.0014","14.823","0.0011","90","","91.162","0.002","90","","1435.43","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,5-Anhydro-2-deoxy-1,2-<i>C</i>-dichloromethylene-3,4,6-tri-<i>O</i>-\ (4-methoxybenzyl)-D-<i>glycero</i>-D-<i>gulo</i>-hexitol","","- C31 H34 Cl2 O7 -","- C31 H34 Cl2 O7 -","- C62 H68 Cl4 O14 -","2","1","MW2012","Kinfe, Henok H.; Moshapo, Paseka T.; Muller, Alfred","1,5-Anhydro-2-deoxy-1,2-<i>C</i>-dichloromethylene-3,4,6-tri-<i>O</i>-(4-methoxybenzyl)-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-hexitol","Acta Crystallographica Section E","2011","67","8","o2012","o2013","10.1107/S1600536811026870","","","0.71073","MoKα","","0.0236","0.0233","","","","0.0622","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231227","6.868","0.0012","12.295","0.004","14.12","0.003","90","","90","","90","","1192.3","0.5","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","(1<i>R</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>S</i>)-3-Methyl-8- oxabicyclo[3.2.1]oct-6-ene-2,4-diyl diacetate","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","0.5","MW2015","Tafeenko, Viktor A.; Aslanov, Leonid A.; Proskurnina, Marina V.; Sosonyuk, Sergei E.; Khlevin, Dmitrii A.","(1<i>R</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>S</i>)-3-Methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-diyl diacetate","Acta Crystallographica Section E","2011","67","8","o2127","o2128","10.1107/S1600536811027292","","","0.56085","AgKα","","0.1154","0.0552","","","0.1133","0.1379","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231228","10.1685","0.0003","12.1271","0.0002","10.2083","0.0003","90","","110.377","0.003","90","","1180.06","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl 1-hydroxypiperidine-2-carboxylate","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C40 H76 N4 O12 -","4","1","NC2235","Brücher, Oliver; Bergsträsser, Uwe; Kelm, Harald; Hartung, Jens","<i>tert</i>-Butyl 1-hydroxypiperidine-2-carboxylate","Acta Crystallographica Section E","2011","67","8","o2061","","10.1107/S1600536811026894","","","1.54184","CuKα","","0.058","0.0485","","","0.1406","0.1462","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231229","20.893","0.002","7.259","0.001","8.97","0.001","90","","91.95","0.01","90","","1359.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>-(3,4-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","NC2237","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","2-Chloro-<i>N</i>-(3,4-dimethylphenyl)benzamide","Acta Crystallographica Section E","2011","67","8","o2019","","10.1107/S1600536811027267","","","0.71073","MoKα","","0.1192","0.0763","","","0.1971","0.2171","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231230","8.025","0.001","15.835","0.002","10.106","0.001","90","","112.31","0.01","90","","1188.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(4-methylphenylsulfonyl)suberamide","","- C22 H28 N2 O6 S2 -","- C22 H28 N2 O6 S2 -","- C44 H56 N4 O12 S4 -","2","0.5","NC2239","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(4-methylphenylsulfonyl)suberamide","Acta Crystallographica Section E","2011","67","8","o2161","","10.1107/S1600536811029783","","","0.71073","MoKα","","0.1123","0.0582","","","0.1198","0.1394","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231231","9.599","0.0003","12.6386","0.0005","20.2131","0.0007","75.865","0.003","76.78","0.004","74.927","0.003","2260.14","0.15","290","2","290","","","","","","","","","5","P -1","-P 1","2","","Diethyl [(9-anthryl)(4-methylanilino)methyl]phosphonate","","- C26 H28 N O3 P -","- C26 H28 N O3 P -","- C104 H112 N4 O12 P4 -","4","2","NG5182","Kraicheva, Ivanka; Tsacheva, Ivelina; Vodenicharova, Elitsa; Tashev, Emil; Troev, Kolio","Diethyl [(9-anthryl)(4-methylanilino)methyl]phosphonate","Acta Crystallographica Section E","2011","67","8","o1980","","10.1107/S1600536811025943","","","0.7107","MoKα","","0.0925","0.0559","","","0.1273","0.153","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231232","6.08","0.0008","34.224","0.005","8.1217","0.0011","90","","91.186","0.003","90","","1689.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Chlorophenyl)-2-(4-methoxyphenyl)-6,7-dihydro-4<i>H</i>- pyrazolo[5,1-<i>c</i>][1,4]oxazine","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C76 H68 Cl4 N8 O8 -","4","1","NG5186","Zheng, Liang-Wen; Zhao, Bao-Xiang","6-(4-Chlorophenyl)-2-(4-methoxyphenyl)-6,7-dihydro-4<i>H</i>-pyrazolo[5,1-<i>c</i>][1,4]oxazine","Acta Crystallographica Section E","2011","67","8","o1949","","10.1107/S1600536811025906","","","0.71073","MoKα","","0.1015","0.0469","","","0.1011","0.123","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231233","10.3","0.002","11.437","0.002","17.809","0.004","90","","90","","90","","2097.9","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Bis[(2-ethyl-1<i>H</i>-benzimidazol-1-yl)methyl]benzene","","- C26 H26 N4 -","- C26 H26 N4 -","- C104 H104 N16 -","4","1","NG5188","Wang, Qiang; Zhao, Xing; Lou, Haipeng; Wang, Mengyan","1,4-Bis[(2-ethyl-1<i>H</i>-benzimidazol-1-yl)methyl]benzene","Acta Crystallographica Section E","2011","67","8","o1899","","10.1107/S1600536811025402","","","0.71073","MoKα","","0.0892","0.0758","","","0.1451","0.1531","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231234","5.1537","0.0002","21.2008","0.0009","10.9727","0.0004","90","","99.182","0.002","90","","1183.54","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-5-carboxylato- 1-carboxylatomethyl-2-oxidopyridinium-κ^2^<i>O</i>^5^:<i>O</i>^1^]","","- C8 H13 Mn N O9 -","- C8 H13 Mn N O9 -","- C32 H52 Mn4 N4 O36 -","4","1","NG5191","Yuan, Hong-Yan; Jiang, Mei-Xiang; Feng, Yun-Long","<i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium-κ^2^<i>O</i>^5^:<i>O</i>^1^]","Acta Crystallographica Section E","2011","67","8","m1036","","10.1107/S1600536811025967","","","0.71073","MoKα","","","0.0289","","","0.0719","0.0754","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231235","8.3604","0.0017","4.8599","0.001","22.288","0.005","90","","92.09","0.03","90","","905","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,8-Dimethylquinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","NG5192","Qin, Wei-Yan; Liu, Bo; Duan, Cong-Wen; Yin, Qing-Xiu","3,8-Dimethylquinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","8","o1927","","10.1107/S1600536811025232","","","0.71073","MoKα","","0.0577","0.0429","","","0.1346","0.1429","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231236","12.372","0.003","7.5361","0.0015","10.007","0.002","90","","93.67","0.004","90","","931.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(Pyridin-2-yl)-3,3'-bi(1<i>H</i>-1,2,4-triazole)","","- C9 H7 N7 -","- C9 H7 N7 -","- C36 H28 N28 -","4","1","NG5195","Xu, Zhouqing; Zhao, Xinping; Wang, Qiang","5-(Pyridin-2-yl)-3,3'-bi(1<i>H</i>-1,2,4-triazole)","Acta Crystallographica Section E","2011","67","8","o2037","","10.1107/S1600536811027449","","","0.71073","MoKα","","0.0931","0.0495","","","0.1254","0.1559","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231237","12.885","0.003","14.248","0.005","13.508","0.007","90","","117.544","0.017","90","","2198.8","1.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)] diphenolato-1κ^4^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^; 2κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol- 1κ<i>O</i>)(tetrafluoridoborato-1κ^2^<i>F</i>,<i>F</i>')- 2-copper(II)-1-sodium","","- C19 H22 B Cu F4 N2 Na O5 -","- C19 H22 B Cu F4 N2 Na O5 -","- C76 H88 B4 Cu4 F16 N8 Na4 O20 -","4","1","NG5196","Gao, Ting; Yang, Yu; Gao, Po; Zhang, Ju-Wen; Yang, Jing-Lin","{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-1κ^4^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^;2κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol-1κ<i>O</i>)(tetrafluoridoborato-1κ^2^<i>F</i>,<i>F</i>')-2-copper(II)-1-sodium","Acta Crystallographica Section E","2011","67","8","m1127","","10.1107/S160053681102842X","","","0.71073","MoKα","","0.0809","0.0498","","","0.1178","0.1301","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231238","14.654","0.003","4.9321","0.001","12.688","0.003","90","","105.63","0.03","90","","883.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorobenzyl)-1<i>H</i>-tetrazole","","- C8 H7 Cl N4 -","- C8 H7 Cl N4 -","- C32 H28 Cl4 N16 -","4","1","NG5199","Liu, Pei-Jiang; Ma, Dong-Sheng; Zhang, Shuai; Hou, Guang-Feng","5-(4-Chlorobenzyl)-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2011","67","8","o2088","","10.1107/S1600536811028388","","","0.71073","MoKα","","0.0463","0.0331","","","0.0892","0.0942","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231239","7.6633","0.0001","12.9627","0.0003","14.2683","0.0003","90","","99.932","0.001","90","","1396.13","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium bicarbonate trihydrate","","- C9 H27 N O6 -","- C9 H27 N O6 -","- C36 H108 N4 O24 -","4","1","NR2008","Li, Heping; Hou, Yimin; Yang, Yunxia","Tetraethylammonium bicarbonate trihydrate","Acta Crystallographica Section E","2011","67","8","o1991","","10.1107/S1600536811026080","","","0.71073","MoKα","","0.0643","0.0452","","","0.1231","0.1382","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231240","12.8693","0.0003","14.2487","0.0003","11.6357","0.0003","90","","104.297","0.001","90","","2067.57","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-Cyanophenolato-κ<i>O</i>){2,2'- [ethylenebis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate","","- C23 H20 Mn N3 O4 -","- C23 H20 Mn N3 O4 -","- C92 H80 Mn4 N12 O16 -","4","1","OM2428","Zidane, Youcef; Ourari, Ali; Mousser, Hénia; Mousser, Abdelhamid","Dimeric (2-cyanophenolato-κ<i>O</i>){2,2'-[ethylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate","Acta Crystallographica Section E","2011","67","8","m1069","m1070","10.1107/S1600536811026584","","","0.71073","MoKα","","0.0548","0.0376","","","0.0926","0.1029","","","","","","1.046","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231241","4.812","0.003","8.901","0.005","12.64","0.007","92.361","0.009","91.512","0.006","99.789","0.009","532.7","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(dimethylammonium) 2,2'-(1,3,6,8-tetraoxo-2,7-diazapyrene-2,7-diyl)diacetate","","- C22 H24 N4 O8 -","- C22 H24 N4 O8 -","- C22 H24 N4 O8 -","1","0.5","OM2439","Xu, Lan-Ping; Zhao, Wen-Na; Han, Lei","Bis(dimethylammonium) 2,2'-(1,3,6,8-tetraoxo-2,7-diazapyrene-2,7-diyl)diacetate","Acta Crystallographica Section E","2011","67","8","o1971","","10.1107/S1600536811026511","","","0.71073","MoKα","","0.0441","0.0395","","","0.1102","0.1138","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231242","9.536","0.0018","12.527","0.002","14.34","0.003","90","","95.071","0.004","90","","1706.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(pyridin-2-ylmethyl) ether]trichloridorhodium(III) dichloromethane monosolvate","","- C13 H14 Cl5 N2 O Rh -","- C13 H14 Cl5 N2 O Rh -","- C52 H56 Cl20 N8 O4 Rh4 -","4","1","OM2440","Ojwach, Stephen O.; Omondi, Bernard; Darkwa, James","[Bis(pyridin-2-ylmethyl) ether]trichloridorhodium(III) dichloromethane monosolvate: unusual hydrolysis of the methylene bridge in (pyrazolylmethyl)pyridine","Acta Crystallographica Section E","2011","67","8","m1097","","10.1107/S1600536811027644","","","0.71073","MoKα","","0.09","0.0479","","","0.114","0.1392","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231243","4.7165","0.0002","10.2815","0.0004","13.5711","0.0006","90","","96.555","0.004","90","","653.8","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Chlorophenyl)naphtho[1,8-<i>de</i>][1,3,2]diazaborinane","","- C16 H12 B Cl N2 -","- C16 H12 B Cl N2 -","- C32 H24 B2 Cl2 N4 -","2","1","OM2441","Akerman, Matthew P.; Robinson, Ross S.; Slabber, Cathryn A.","2-(4-Chlorophenyl)naphtho[1,8-<i>de</i>][1,3,2]diazaborinane","Acta Crystallographica Section E","2011","67","8","o1873","","10.1107/S1600536811025487","","","0.71073","MoKα","","0.0445","0.0386","","","0.0945","0.0977","","","","","","0.997","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2231244","5.411","0.0003","25.4205","0.0012","9.317","0.0004","90","","90","","90","","1281.56","0.11","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-Diallyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","","- C12 H12 Br N3 O -","- C12 H12 Br N3 O -","- C48 H48 Br4 N12 O4 -","4","1","OM2445","Dahmani, Siham; Kandri Rodi, Youssef; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","1,3-Diallyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1986","","10.1107/S1600536811026869","","","0.71073","MoKα","","0.0531","0.0356","","","0.0915","0.0999","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231245","6.649","0.002","18.712","0.006","9.349","0.003","90","","104.903","0.005","90","","1124","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol- 4-ylidene)(thiophen-2-yl)methyl]-amino}-3-phenylpropionate","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C50 H46 N6 O6 S2 -","2","1","OM2448","Zhu, Hualing; Zhao, Xinxin; Wang, Zhan; Ren, Junjie; Zhang, Miao","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)(thiophen-2-yl)methyl]amino}-3-phenylpropionate","Acta Crystallographica Section E","2011","67","8","o2200","","10.1107/S1600536811029904","","","0.71073","MoKα","","0.0408","0.0338","","","0.0617","0.0639","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231246","16.467","0.0003","16.467","0.0003","3.9064","0.0012","90","","90","","90","","1059.3","0.3","200","2","200","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","2,3-Diaminopyridine","Pyridine-2,3-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","OM2449","Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk","Pyridine-2,3-diamine","Acta Crystallographica Section E","2011","67","8","o2154","","10.1107/S1600536811029412","","","0.71073","MoKα","","0.0396","0.036","","","0.0807","0.0847","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231247","6.6395","0.001","9.509","0.0014","21.619","0.003","97.068","0.002","94.391","0.002","98.006","0.002","1335.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Poly[tetradecaaquatetrakis(μ~3~-imidazole-4,5-dicarboxylato)hexa-μ~3~- sulfato-cobalt(II)hexasamarium(III)]","","- C20 H36 Co N8 O54 S6 Sm6 -","- C20 H36 Co N8 O54 S6 Sm6 -","- C20 H36 Co N8 O54 S6 Sm6 -","1","0.5","OM2450","Zhu, Li-Cai; Zhu, Si-Ming","Poly[tetradecaaquatetrakis(μ~3~-imidazole-4,5-dicarboxylato)hexa-μ~3~-sulfato-cobalt(II)hexasamarium(III)]","Acta Crystallographica Section E","2011","67","8","m1166","m1167","10.1107/S1600536811030169","","","0.71073","MoKα","","0.0403","0.0311","","","0.0652","0.0697","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231248","6.6954","0.0003","6.9447","0.0003","31.6168","0.0018","90","","90.095","0.007","90","","1470.1","0.12","180","2","179.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2-(3a,8a-dimethyl-4-oxodecahydroazulen-6-yl)acrylate","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","2","OM2451","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean Claude; Akssira, Mohamed; Elhakmaoui, Ahmed","Methyl 2-(3a,8a-dimethyl-4-oxodecahydroazulen-6-yl)acrylate","Acta Crystallographica Section E","2011","67","8","o2187","o2188","10.1107/S1600536811029928","","","0.7107","MoKα","","0.0483","0.0419","","","0.1029","0.1097","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231249","9.003","0.0009","12.6382","0.0013","18.583","0.0002","90","","100.169","0.002","90","","2081.2","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2a<i>R</i>,2b<i>R</i>)-6-(1-Hydroxypropan-2-yl)-2a,2b-diphenyl-2a,2b,6,7- tetrahydro-5<i>H</i>-2,3,4a,6,7a-pentaazacyclopenta[<i>cd</i>]indene- 1,4(2<i>H</i>,3<i>H</i>)-dithione","(4<i>R</i>,11<i>R</i>)-9-(1-hydroxypropan-2-yl)-4,11-diphenyl-1,3,5,7,9- pentaazatricyclo[5.3.1.0^4,11^]undecane-2,6-dithione","","- C21 H23 N5 O S2 -","- C21 H23 N5 O S2 -","- C84 H92 N20 O4 S8 -","4","2","PK2329","Wang, Meng; Wang, Jungang; Xiang, Jiacheng","(4<i>R</i>,11<i>R</i>)-9-(1-hydroxypropan-2-yl)-4,11-diphenyl-1,3,5,7,9-pentaazatricyclo[5.3.1.0^4,11^]undecane-2,6-dithione","Acta Crystallographica Section E","2011","67","8","o2060","","10.1107/S160053681102736X","","","0.71073","MoKα","","0.0594","0.0549","","","0.1293","0.1332","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231250","5.1472","0.0009","10.3788","0.0019","23.409","0.004","90","","95.459","0.003","90","","1244.9","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,6-Bis(prop-2-yn-1-yloxy)naphthalene","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","PK2330","Yang, Qin-wan; Shi, Jingu; Pang, Tao","1,6-Bis(prop-2-yn-1-yloxy)naphthalene","Acta Crystallographica Section E","2011","67","8","o2054","","10.1107/S1600536811027310","","","0.71073","MoKα","","0.0761","0.0509","","","0.1206","0.1327","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231251","18.947","0.002","11.2734","0.0013","10.8533","0.0012","90","","90","","90","","2318.2","0.4","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis(8-methyl-2,8-dicarba-<i>closo</i>-dodecaboran-2-yl) triselenide","","- C6 H26 B20 Se3 -","- C6 H26 B20 Se3 -","- C24 H104 B80 Se12 -","4","1","PK2331","Ilie, Adriana; Soran, Albert; Laguna, Antonio; Silvestru, Cristian","Bis(8-methyl-2,8-dicarba-<i>closo</i>-dodecaboran-2-yl) triselenide","Acta Crystallographica Section E","2011","67","8","o1908","","10.1107/S1600536811025712","","","0.71073","MoKα","","0.067","0.0534","","","0.108","0.1132","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231252","5.3303","0.001","10.926","0.002","12.354","0.002","83.349","0.006","85.741","0.006","85.051","0.006","710.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5,7-Dibromo-3-trifluoromethyl-3,4-dihydroacridin-1(2<i>H</i>)-one","","- C14 H8 Br2 F3 N O -","- C14 H8 Br2 F3 N O -","- C28 H16 Br4 F6 N2 O2 -","2","1","PK2334","Okoro, Cosmas O.; Siddiquee, Tasneem; Fadeyi, Olugbeminiyi O.","5,7-Dibromo-3-trifluoromethyl-3,4-dihydroacridin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2052","","10.1107/S1600536811027516","","","0.71073","MoKα","","0.0795","0.0546","","","","0.1339","","","","","","0.974","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231253","4.4697","0.0007","14.616","0.002","19.784","0.003","90","","90.467","0.002","90","","1292.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Dimethoxycarbonyl-3,5-diethylpyrrole","Dimethyl 3,5-diethyl-1<i>H</i>-pyrrole-2,4-dicarboxylate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C48 H68 N4 O16 -","4","1","PK2335","Lu, Gui-Fen; Lin, Wen-Sheng; Zhu, Wei-Hua; Ou, Zhong-Ping","Dimethyl 3,5-diethyl-1<i>H</i>-pyrrole-2,4-dicarboxylate","Acta Crystallographica Section E","2011","67","8","o2097","","10.1107/S1600536811028352","","","0.71073","MoKα","","0.0468","0.0408","","","0.1136","0.1177","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231254","8.0157","0.0004","9.2589","0.0004","10.2348","0.0005","68.283","0.002","73.432","0.002","79.804","0.002","674.2","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(2-Formylphenoxymethyl)-3-phenylprop-2-enenitrile","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","PV2417","Swaminathan, K.; Sethusankar, K.; Murugan, G.; Bakthadoss, M.","(<i>E</i>)-2-(2-Formylphenoxymethyl)-3-phenylprop-2-enenitrile","Acta Crystallographica Section E","2011","67","8","o2000","","10.1107/S1600536811025670","","","0.71073","MoKα","","0.0458","0.0367","","","0.0948","0.1016","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231255","18.2795","0.0012","9.0393","0.0007","9.8673","0.0006","90","","99.39","0.004","90","","1608.57","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 Cl O4 S -","- C16 H15 Cl O4 S -","- C64 H60 Cl4 O16 S4 -","4","1","PV2418","Prabhu, A. N.; Jayarama, A.; Row, T. N. Guru; Upadhyaya, V.","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","8","o2086","","10.1107/S1600536811028236","","","0.71073","MoKα","","0.2048","0.064","","","0.1419","0.1966","","","","","","0.944","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231256","6.8387","0.0014","13.421","0.003","19.676","0.004","90","","91.87","0.03","90","","1804.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(4-carboxypyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')nickel(II)","","- C20 H13 N3 Ni O7 -","- C20 H13 N3 Ni O7 -","- C80 H52 N12 Ni4 O28 -","4","1","PV2419","Zou, Qin; Wang, Jian-fei; Lin, Jian-li","Aqua(4-carboxypyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)","Acta Crystallographica Section E","2011","67","8","m1043","","10.1107/S1600536811026055","","","0.71073","MoKα","","0.1022","0.0443","","","0.0835","0.1417","","","","","","1.192","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231257","11.9","0.002","9.1978","0.0015","14.521","0.003","90","","90","","90","","1589.4","0.5","123.1","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Diazonaphthalen-2(1<i>H</i>)-one","","- C10 H6 N2 O -","- C10 H6 N2 O -","- C80 H48 N16 O8 -","8","1","PV2420","Kitamura, Mitsuru; Sakata, Rie; Matsumoto, Taisuke","1-Diazonaphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1951","","10.1107/S1600536811026377","","","1.54187","CuKα","","","0.0438","","","","0.1192","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231258","7.5895","0.001","31.355","0.003","9.8912","0.0012","90","","93.056","0.006","90","","2350.4","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>Z</i>)-3α-(1,3-Dioxoisoindolin-2-yl)-17(20)-pregnene","","- C29 H37 N O2 -","- C29 H37 N O2 -","- C116 H148 N4 O8 -","4","2","PV2421","Qi, Yue; Qin, Nan; Duan, Hong-Quan","(<i>Z</i>)-3α-(1,3-Dioxoisoindolin-2-yl)-17(20)-pregnene","Acta Crystallographica Section E","2011","67","8","o2065","","10.1107/S1600536811027632","","","0.71073","MoKα","","0.0435","0.0388","","","0.0914","0.0956","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231259","32.752","0.001","9.0435","0.0003","6.9753","0.0003","90","","99.02","0.002","90","","2040.48","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium]bis[μ-2-(1,3-dioxoisoindolin-2- yl)acetato]-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C20 H16 Ca N2 O10 -","- C20 H16 Ca N2 O10 -","- C80 H64 Ca4 N8 O40 -","4","0.5","PV2422","Bhatti, Moazzam H.; Yunus, Uzma; Saeed, Sohail; Shah, Syed Raza; Wong, Wing-Tak","<i>catena</i>-Poly[[diaquacalcium]bis[μ-2-(1,3-dioxoisoindolin-2-yl)acetato]-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","Acta Crystallographica Section E","2011","67","8","m1102","m1103","10.1107/S1600536811027851","","","0.71073","MoKα","","0.0526","0.0364","","","0.0932","0.1018","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231260","9.3555","0.0003","10.7247","0.0004","12.0449","0.0004","94.707","0.001","104.73","0.001","96.385","0.001","1153.88","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3-(4-isopropylphenyl)-1-phenyl-3,3a,4,9b-tetrahydro- 1<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C54 H54 N2 O8 -","2","1","PV2423","Kanchanadevi, J.; Anbalagan, G.; Srinivasan, J.; Bakthadoss, M.; Manivannan, V.","Methyl 3-(4-isopropylphenyl)-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2011","67","8","o1989","","10.1107/S1600536811026365","","","0.71073","MoKα","","0.1055","0.0539","","","0.1374","0.1655","","","","","","1.034","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231261","6.6246","0.0004","9.4895","0.0006","21.5242","0.0014","97.037","0.001","94.365","0.001","98.158","0.001","1323.28","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Poly[tetradecaaquatetrakis(μ~3~-1<i>H</i>-imidazole-4,5-dicarboxylato)tetra- μ~3~-sulfato-cobalt(II)hexagadolinium(III)]","","- C20 H36 Co Gd6 N8 O54 S6 -","- C20 H36 Co Gd6 N8 O54 S6 -","- C20 H36 Co Gd6 N8 O54 S6 -","1","0.5","PV2424","Zhu, Li-Cai","Poly[tetradecaaquatetrakis(μ~3~-1<i>H</i>-imidazole-4,5-dicarboxylato)tetra-μ~3~-sulfato-cobalt(II)hexagadolinium(III)]","Acta Crystallographica Section E","2011","67","8","m1060","m1061","10.1107/S1600536811026821","","","0.71073","MoKα","","0.032","0.0262","","","0.056","0.0585","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231262","10.6032","0.0005","12.2114","0.0006","19.1608","0.0009","90","","118.856","0.003","90","","2172.89","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ~2~-acetato-diaquabis(μ~2~-2-{[1,3-dihydroxy-2- (oxidomethyl)propan-2-yl]iminomethyl}phenolato)trimanganese(II,III) acetonitrile disolvate dihydrate","","- C34 H52 Mn3 N4 O20 -","- C34 H52 Mn3 N4 O20 -","- C68 H104 Mn6 N8 O40 -","2","0.5","PV2425","Guo, Yuhua; Huang, Jianping; Huang, Yong; Wang, Junyue; Yu, Youzhu","Tetra-μ~2~-acetato-diaquabis(μ~2~-2-{[1,3-dihydroxy-2-(oxidomethyl)propan-2-yl]iminomethyl}phenolato)trimanganese(II,III) acetonitrile disolvate dihydrate","Acta Crystallographica Section E","2011","67","8","m1098","","10.1107/S1600536811027899","","","0.71073","MoKα","","0.0864","0.0468","","","0.1057","0.1332","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231263","6.8986","0.0002","7.2146","0.0002","11.3771","0.0003","92.244","0.001","93.615","0.001","110.505","0.001","528.18","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[Amino(azido)methylidene]-4-methylbenzenesulfonamide","","- C8 H9 N5 O2 S -","- C8 H9 N5 O2 S -","- C16 H18 N10 O4 S2 -","2","1","PV2426","Mahmood, Ayyaz; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Ahmed, Jamil","<i>N</i>-[Amino(azido)methylidene]-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o2140","","10.1107/S1600536811026973","","","0.71073","MoKα","","0.0338","0.0307","","","0.0851","0.088","","","","","","1.091","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231264","7.6089","0.0005","6.0895","0.0003","20.5135","0.0014","90","","93.615","0.002","90","","948.59","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(4-Formylphenyl)(hydroxy)methyl]acrylonitrile","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C44 H36 N4 O8 -","4","1","PV2428","Prasanna, C. M. Sai; Sethusankar, K.; Rajesh, R.; Raghunathan, R.","2-[(4-Formylphenyl)(hydroxy)methyl]acrylonitrile","Acta Crystallographica Section E","2011","67","8","o2176","","10.1107/S160053681102976X","","","0.71073","MoKα","","0.06","0.0448","","","0.1252","0.137","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231265","9.1077","0.0006","6.8328","0.0004","14.1765","0.0009","90","","96.807","0.003","90","","876","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6-Bromo-1-methyl-4-[2-(4-methylbenzylidene)hydrazinylidene]-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C17 H16 Br N3 O2 S -","- C17 H16 Br N3 O2 S -","- C34 H32 Br2 N6 O4 S2 -","2","1","PV2429","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","6-Bromo-1-methyl-4-[2-(4-methylbenzylidene)hydrazinylidene]-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2011","67","8","o2092","","10.1107/S1600536811028406","","","0.71073","MoKα","","0.0616","0.0338","","","0.0695","0.0776","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231266","5.5842","0.0011","7.9485","0.0016","13.023","0.003","86.87","0.03","89.12","0.03","88.65","0.03","577","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-[(4-Chloroanilino)methyl]phenol","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C26 H24 Cl2 N2 O2 -","2","1","PV2430","Chen, Li-Zhuang","2-[(4-Chloroanilino)methyl]phenol","Acta Crystallographica Section E","2011","67","8","o2125","","10.1107/S1600536811029047","","","0.71073","MoKα","","0.1349","0.0675","","","0.1542","0.1863","","","","","","0.983","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231267","8.8036","0.0008","8.904","0.0007","17.0732","0.0014","90","","92.335","0.002","90","","1337.21","0.19","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-<i>N</i>'-(2-oxoindolin-3-ylidene)benzohydrazide","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C60 H48 N16 O8 -","4","1","PV2431","Jamal, Rifat Ara; Ashiq, Uzma; Yousuf, Sammer; ul Ain, Qurrat","3-Amino-<i>N</i>'-(2-oxoindolin-3-ylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","8","o2166","","10.1107/S1600536811029242","","","0.71073","MoKα","","0.0925","0.0515","","","0.1068","0.1217","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231268","17.4294","0.0002","48.2746","0.0006","6.7947","0.0001","90","","90","","90","","5717.04","0.13","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","<i>exo</i>-8-[(1<i>H</i>-Benzimidazol-2-yl)methyl]-10-oxa-8- azatricyclo[4.3.0.1^2,5^]decane-7,9-dione","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C256 H240 N48 O48 -","16","1","QK2008","Li, Shi-Kun; Zhang, Fan; Lv, Tian-Xi; Lin, Qiu-Yue","<i>exo</i>-4-[(1<i>H</i>-Benzimidazol-2-yl)methyl]-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","Acta Crystallographica Section E","2011","67","8","o1974","","10.1107/S1600536811026602","","","0.71073","MoKα","","","0.0354","","","0.0802","0.0869","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231269","16.682","0.003","7.2558","0.0015","17.317","0.004","90","","116.63","0.03","90","","1873.7","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[(carbamothioylamino)imino]propanoate","","- C6 H11 N3 O2 S -","- C6 H11 N3 O2 S -","- C48 H88 N24 O16 S8 -","8","1","QK2014","Corrêa, Charlane C.; Graúdo, José Eugênio J.C.; de Oliveira, Luiz Fernando C.; de Almeida, Mauro V.; Diniz, Renata","Ethyl 2-[(carbamothioylamino)imino]propanoate","Acta Crystallographica Section E","2011","67","8","o1967","o1968","10.1107/S1600536811026237","","","0.71073","MoKα","","0.0423","0.0331","","","0.0857","0.0923","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231270","10.6994","0.0011","13.6773","0.0014","12.1961","0.0013","90","","101.574","0.002","90","","1748.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ce(BTC)(DMF)2","Poly[(μ~4~-benzene-1,3,5-tricarboxylato)bis(<i>N</i>,<i>N</i>- dimethylformamide)cerium(III)]","","- C15 H17 Ce N2 O8 -","- C15 H17 Ce N2 O8 -","- C60 H68 Ce4 N8 O32 -","4","1","QM2010","Li, Zhongyue; Liu, Kun","Poly[(μ~4~-benzene-1,3,5-tricarboxylato)bis(<i>N</i>,<i>N</i>-dimethylformamide)cerium(III)]","Acta Crystallographica Section E","2011","67","8","m1020","","10.1107/S160053681102277X","","","0.71073","MoKα","","0.0648","0.0464","","","0.0702","0.0762","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231271","11.173","0.002","14.756","0.003","11.565","0.002","90","","103.14","0.03","90","","1856.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[(carbamoylamino)imino]propanoate hydrate","","- C6 H12 N3 O3.5 -","- C6 H12 N3 O3.5 -","- C48 H96 N24 O28 -","8","2","QM2011","Corrêa, Charlane C.; Graúdo, José Eugênio J. C.; de Oliveira, Luiz Fernando C.; de Almeida, Mauro V.; Diniz, Renata","Ethyl 2-[(carbamoylamino)imino]propanoate hemihydrate","Acta Crystallographica Section E","2011","67","8","o1882","","10.1107/S160053681102530X","","","0.71073","MoKα","","0.1744","0.059","","","0.1035","0.1373","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231272","9.692","0.002","16.312","0.004","20.227","0.005","90","","93.469","0.003","90","","3191.9","1.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1-benzyl-3-(4-methylphenyl)imidazol-2-ylidene]silver(I) hexafluoridophosphate","","- C34 H32 Ag F6 N4 P -","- C34 H32 Ag F6 N4 P -","- C136 H128 Ag4 F24 N16 P4 -","4","1","QM2012","Huang, Kun; Qin, Da-Bin","Bis[1-benzyl-3-(4-methylphenyl)imidazol-2-ylidene]silver(I) hexafluoridophosphate","Acta Crystallographica Section E","2011","67","8","m1116","","10.1107/S1600536811026675","","","0.71073","MoKα","","0.0361","0.0309","","","0.0787","0.0809","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231273","4.8035","0.0014","9.47","0.003","23.884","0.007","90","","90","","90","","1086.5","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Cyano-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","QM2013","Li, Hongbo; Chen, Peng","2-Cyano-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide","Acta Crystallographica Section E","2011","67","8","o2001","","10.1107/S1600536811025451","","","0.71073","MoKα","","0.0897","0.0614","","","0.1052","0.1136","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231274","4.663","0.001","13.238","0.002","19.305","0.002","90","","90.312","0.003","90","","1191.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Cyano-<i>N</i>'-(5-hydroxy-2-nitrobenzylidene)acetohydrazide monohydrate","","- C10 H10 N4 O5 -","- C10 H10 N4 O5 -","- C40 H40 N16 O20 -","4","1","QM2014","Li, Hongbo; Ni, Xiaocheng","2-Cyano-<i>N</i>'-(5-hydroxy-2-nitrobenzylidene)acetohydrazide monohydrate","Acta Crystallographica Section E","2011","67","8","o2002","","10.1107/S1600536811025463","","","0.71073","MoKα","","0.0698","0.0535","","","0.1379","0.1478","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231275","8.5042","0.0001","5.8558","0.0001","16.5519","0.0002","90","","95.899","0.001","90","","819.9","0.02","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-(Ethane-1,2-diyl)bis(6-methyl-3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","0.5","QM2015","Rivera, Augusto; Camacho, Jairo; Ríos-Motta, Jaime; Pojarová, Michaela; Dušek, Michal","3,3'-(Ethane-1,2-diyl)bis(6-methyl-3,4-dihydro-2<i>H</i>-1,3-benzoxazine)","Acta Crystallographica Section E","2011","67","8","o2028","","10.1107/S1600536811027139","","","1.5418","CuKα","","0.0339","0.0335","","","0.0869","0.0871","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231276","8.5852","0.0005","12.1716","0.0007","9.1113","0.0004","90","","115.682","0.002","90","","858.04","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-<i>N</i>-(2-hydroxyethyl)benzamide","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","QM2017","Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk","2-Hydroxy-<i>N</i>-(2-hydroxyethyl)benzamide","Acta Crystallographica Section E","2011","67","8","o2117","","10.1107/S1600536811029175","","","0.71073","MoKα","","0.0668","0.0467","","","0.1034","0.1128","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231277","8.88154","0.00013","8.53537","0.00013","14.5784","0.0002","90","","101.816","0.0015","90","","1081.73","0.03","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diisopropylammonium methanesulfonate","","- C7 H19 N O3 S -","- C7 H19 N O3 S -","- C28 H76 N4 O12 S4 -","4","1","QM2018","Reiss, Guido J.; Meyer, Michaela K.","Diisopropylammonium methanesulfonate","Acta Crystallographica Section E","2011","67","8","o2169","","10.1107/S1600536811029382","","","0.71073","MoKα","","0.031","0.0269","","","0.0587","0.0596","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231278","10.9189","0.0017","6.0853","0.0009","17.65","0.003","90","","97.536","0.003","90","","1162.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(<i>O</i>-<i>n</i>-butyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-κ<i>N</i>)manganese(II)","","- C20 H28 Mn N2 O2 S4 -","- C20 H28 Mn N2 O2 S4 -","- C40 H56 Mn2 N4 O4 S8 -","2","0.5","RK2277","Alam, Naveed; Ehsan, Muhammad Ali; Zeller, Matthias; Mazhar, Muhammad; Arifin, Zainudin","Bis(<i>O</i>-<i>n</i>-butyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2011","67","8","m1064","","10.1107/S1600536811026523","","","0.71073","MoKα","","0.0255","0.025","","","0.0636","0.0639","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231279","7.4005","0.0005","9.033","0.0005","12.0533","0.0006","87.876","0.005","80.575","0.005","84.053","0.005","790.43","0.08","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","2-Amino-6-(pyrrolidin-1-yl)-4-<i>p</i>-tolylpyridine-3,5-dicarbonitrile","","- C18 H17 N5 -","- C18 H17 N5 -","- C36 H34 N10 -","2","1","RK2281","Inglebert, S. Antony; Kamalraja, Jayabal; Vasuki, Gnanasambandam; Sethusankar, K.","2-Amino-6-(pyrrolidin-1-yl)-4-<i>p</i>-tolylpyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2011","67","8","o1972","","10.1107/S1600536811026092","","","0.71073","MoKα","","0.0758","0.0444","","","0.1115","0.1191","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231280","7.3434","0.0002","9.0765","0.0003","11.6009","0.0004","86.086","0.002","86.083","0.002","86.69","0.002","768.53","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(5-Cyclohexyl-3-methylsulfanyl-1-benzofuran-2-yl)acetic acid","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C34 H40 O6 S2 -","2","1","RK2282","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(5-Cyclohexyl-3-methylsulfanyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2011","67","8","o1957","","10.1107/S1600536811026298","","","0.71073","MoKα","","0.0466","0.0379","","","0.0938","0.0997","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231281","11.0939","0.0015","12.5918","0.0017","12.2982","0.0016","90","","104.846","0.002","90","","1660.6","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,4,6,7-Tetrahydro-9-(3-methoxyphenyl)-1,8(5<i>H</i>,9<i>H</i>)-dioxo- 2<i>H</i>-[9(2)-11]-xanthene","14-Methoxy-2,16-dioxapentacyclo[7.7.5.0^1,21^.0^3,8^.0^10,15^]henicosa- 3(8),10,12,14-tetraene-7,20-dione","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","RK2283","Lu, Weicheng; Lian, Chaomei; Yang, Yan; Zhu, Yulin","14-Methoxy-2,16-dioxapentacyclo[7.7.5.0^1,21^.0^3,8^.0^10,15^]henicosa-3(8),10,12,14-tetraene-7,20-dione","Acta Crystallographica Section E","2011","67","8","o2108","","10.1107/S1600536811028972","","","0.71073","MoKα","","0.102","0.0566","","","0.1389","0.1622","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231282","20.7432","0.0013","7.7564","0.0004","11.3946","0.0006","90","","114.314","0.005","90","","1670.7","0.17","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","[2-(4-Methylbenzoyl)phenyl](4-methylphenyl)methanone","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","0.5","RK2284","Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","[2-(4-Methylbenzoyl)phenyl](4-methylphenyl)methanone","Acta Crystallographica Section E","2011","67","8","o2120","","10.1107/S1600536811028820","","","0.71073","MoKα","","0.0634","0.0496","","","0.1414","0.1536","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231283","17.8606","0.0014","7.759","0.0006","11.9722","0.0011","90","","93.942","0.003","90","","1655.2","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2-Benzoylphenyl)(3,4-dimethylphenyl)methanone","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","RK2286","Jagadeesan, G.; Sethusankar, K.; Sivasakthikumaran, R.; Mohanakrishnan, Arasambattu K.","(2-Benzoylphenyl)(3,4-dimethylphenyl)methanone","Acta Crystallographica Section E","2011","67","8","o2177","","10.1107/S1600536811029965","","","0.71073","MoKα","","0.0638","0.044","","","0.1145","0.1292","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231284","7.347","0.004","14.832","0.008","13.149","0.007","90","","100.157","0.006","90","","1410.4","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Iodophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile","","- C16 H13 I N2 -","- C16 H13 I N2 -","- C64 H52 I4 N8 -","4","1","RN2087","Ma, Yanni; Du, Lili; Zhang, Qi; Cao, Fangjun; Zhou, Le","2-(4-Iodophenyl)-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile","Acta Crystallographica Section E","2011","67","8","o2072","","10.1107/S1600536811019830","","","0.71073","MoKα","","0.0311","0.0237","","","0.057","0.0615","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231285","7.5","0.0015","20.925","0.004","12.67","0.003","90","","103.33","0.03","90","","1934.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(4-methylmorpholin-4-ium) tetrabromidozincate(II)","","- C10 H24 Br4 N2 O2 Zn -","- C10 H24 Br4 N2 O2 Zn -","- C40 H96 Br16 N8 O8 Zn4 -","4","1","RU2007","Peng, Cong-hu; Li, Yun-peng","Bis(4-methylmorpholin-4-ium) tetrabromidozincate(II)","Acta Crystallographica Section E","2011","67","8","m1056","","10.1107/S1600536811026766","","","0.71073","MoKα","","0.0785","0.0469","","","0.0851","0.0957","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231286","18.7713","0.0017","10.2683","0.0008","9.8326","0.0006","90","","112.842","0.001","90","","1746.6","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetohydroxamato-κ^2^<i>O</i>,<i>O</i>')diphenyltin(IV)","","- C16 H18 N2 O4 Sn -","- C16 H18 N2 O4 Sn -","- C64 H72 N8 O16 Sn4 -","4","0.5","RZ2612","Yue, Caihong; Wu, Qingkun; Yin, Handong","Bis(acetohydroxamato-κ^2^<i>O</i>,<i>O</i>')diphenyltin(IV)","Acta Crystallographica Section E","2011","67","8","m1034","","10.1107/S160053681102558X","","","0.71073","MoKα","","0.0377","0.0304","","","0.0681","0.0767","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231287","7.9522","0.0006","11.5145","0.0011","22.0939","0.0019","90","","100.201","0.001","90","","1991.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-[(2,4-Dichlorophenyl)methylene]bis(2,2-dimethyl-1,3-dioxane-4,6-dione)","","- C19 H18 Cl2 O8 -","- C19 H18 Cl2 O8 -","- C76 H72 Cl8 O32 -","4","1","RZ2616","Zeng, Wu-Lan","5,5'-[(2,4-Dichlorophenyl)methylene]bis(2,2-dimethyl-1,3-dioxane-4,6-dione)","Acta Crystallographica Section E","2011","67","8","o1894","","10.1107/S1600536811025384","","","0.71073","MoKα","","0.0965","0.045","","","0.0981","0.1268","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231288","12.735","0.003","5.7448","0.0011","14.429","0.003","90","","107.38","0.03","90","","1007.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 2-carboxyacetate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","RZ2617","Feng, Li-ping; Zhao, Liang","2-Aminoanilinium 2-carboxyacetate","Acta Crystallographica Section E","2011","67","8","o1881","","10.1107/S160053681102544X","","","0.71073","MoKα","","0.0499","0.0401","","","0.114","0.1287","","","","","","1.143","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231289","6.9886","0.0013","29.543","0.003","7.4163","0.0014","90","","109.229","0.002","90","","1445.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(2-Methoxybenzylidene)-3-nitrobenzohydrazide","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C60 H52 N12 O16 -","4","1","RZ2618","Guo, Jin-Wu; Ma, Jun-Ying; Sun, Chao-Wei","(<i>E</i>)-<i>N</i>'-(2-Methoxybenzylidene)-3-nitrobenzohydrazide","Acta Crystallographica Section E","2011","67","8","o1895","","10.1107/S1600536811025542","","","0.71073","MoKα","","0.1499","0.0665","","","0.1284","0.16","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231290","13.667","0.004","4.889","0.003","22.522","0.004","90","","104.113","0.003","90","","1459.5","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-3-nitrobenzohydrazide","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C60 H52 N12 O16 -","4","1","RZ2619","Guo, Jin-Wu; Ma, Jun-Ying; Sun, Chao-Wei","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-3-nitrobenzohydrazide","Acta Crystallographica Section E","2011","67","8","o1886","","10.1107/S1600536811025554","","","0.71073","MoKα","","0.1342","0.0631","","","0.1377","0.1732","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231291","11.7374","0.0015","8.4087","0.0008","11.8848","0.0016","90","","102.693","0.005","90","","1144.3","0.2","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-[(Furan-2-ylmethyl)amino]-5-(3,4,5-trimethoxyphenyl)- 5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol- 6(8<i>H</i>)-one","","- C27 H27 N O8 -","- C27 H27 N O8 -","- C54 H54 N2 O16 -","2","1","RZ2621","Luo, Gang; Chen, Hong; Zhou, Jing; Tian, Dan-Li; Zhang, Shi","9-[(Furan-2-ylmethyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2087","","10.1107/S1600536811027735","","","0.71073","MoKα","","0.0355","0.0296","","","0.0661","0.0673","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231292","22.0252","0.0007","10.0651","0.0003","15.3676","0.0006","90","","125.244","0.002","90","","2782.32","0.18","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[2-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]dichloridozinc","","- C13 H11 Cl2 N3 Zn -","- C13 H11 Cl2 N3 Zn -","- C104 H88 Cl16 N24 Zn8 -","8","1","RZ2622","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun","[2-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]dichloridozinc","Acta Crystallographica Section E","2011","67","8","m1062","m1063","10.1107/S1600536811026572","","","0.71073","MoKα","","0.0368","0.0269","","","0.0752","0.0805","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231293","11.606","0.005","9.77","0.004","16.199","0.007","90","","90","","90","","1836.8","1.3","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-<i>tert</i>-Butyl-2-(4-<i>tert</i>-butylpyridin-2-yl)pyridinium nitrate","","- C18 H25 N3 O3 -","- C18 H25 N3 O3 -","- C72 H100 N12 O12 -","4","1","RZ2623","Wu, Wen-Sheng","4-<i>tert</i>-Butyl-2-(4-<i>tert</i>-butylpyridin-2-yl)pyridinium nitrate","Acta Crystallographica Section E","2011","67","8","o2070","","10.1107/S1600536811028030","","","0.71073","MoKα","","0.0577","0.0398","","","0.1007","0.1118","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231294","9.912","0.006","20.472","0.01","17.938","0.01","90","","91.63","0.007","90","","3638","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- Tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine}bis[(2,2'- bipyridyl)copper(I)] bis(tetrafluoridoborate)","","- C78 H68 B2 Cu2 F8 N6 P4 -","- C78 H68 B2 Cu2 F8 N6 P4 -","- C156 H136 B4 Cu4 F16 N12 P8 -","2","0.5","RZ2624","Luo, Lun-Zhong; Yang, Zong-Wei; Wang, Zhi-Bin; Hong, Zhang","{μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine}bis[(2,2'-bipyridyl)copper(I)] bis(tetrafluoridoborate)","Acta Crystallographica Section E","2011","67","8","m1146","","10.1107/S1600536811029333","","","0.71073","MoKα","","0.0841","0.0646","","","0.1598","0.1729","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231295","7.5415","0.0008","8.5562","0.0011","9.8925","0.0012","67.891","0.011","88.31","0.009","63.998","0.011","524.45","0.13","293.15","","293.15","","","","","","","","","3","P -1","-P 1","2","","3,8-Dimethylacenaphthylene-1,2-dione","","- C14 H10 O2 -","- C14 H10 O2 -","- C28 H20 O4 -","2","1","RZ2626","He, Shu-hua","3,8-Dimethylacenaphthylene-1,2-dione","Acta Crystallographica Section E","2011","67","8","o2130","","10.1107/S1600536811028479","","","0.7107","MoKα","","0.084","0.0521","","","0.1266","0.1476","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231296","12.8325","0.0005","12.2459","0.0004","15.8798","0.0006","90","","97.618","0.001","90","","2473.41","0.16","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,8-bis(2-naphthoyl)-2,7-dimethoxynaphthalene","[2,7-Dimethoxy-8-(2-naphthoyl)naphthalen-1-yl](naphthalen-2-yl)methanone","","- C34 H24 O4 -","- C34 H24 O4 -","- C136 H96 O16 -","4","0.5","RZ2628","Tsumuki, Takehiro; Hijikata, Daichi; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","[2,7-Dimethoxy-8-(2-naphthoyl)naphthalen-1-yl](naphthalen-2-yl)methanone","Acta Crystallographica Section E","2011","67","8","o2095","","10.1107/S1600536811028054","","","0.71075","MoKα","","0.0456","0.0374","","","0.1036","0.1152","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231297","11.5948","0.0002","8.37239","0.00015","24.5352","0.0005","90","","92.617","0.001","90","","2379.3","0.08","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,8-Bis(4-bromomethylbenzoyl)-2,7-dimethoxynaphthalene","{8-[4-(Bromomethyl)benzoyl]-2,7-dimethoxynaphthalen-1-yl}[4- (bromomethyl)phenyl]methanone","","- C28 H22 Br2 O4 -","- C28 H22 Br2 O4 -","- C112 H88 Br8 O16 -","4","1","RZ2629","Sasagawa, Kosuke; Hijikata, Daichi; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","{8-[4-(Bromomethyl)benzoyl]-2,7-dimethoxynaphthalen-1-yl}[4-(bromomethyl)phenyl]methanone","Acta Crystallographica Section E","2011","67","8","o2119","","10.1107/S1600536811029151","","","1.54187","CuKα","","0.044","0.0407","","","0.1013","0.1028","","","","","","1.135","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231298","14.9022","0.0018","11.4756","0.0014","15.9499","0.0019","90","","111.028","0.001","90","","2546","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,6-Dimethyl-2-(naphthalen-1-yl)pyrimidine","","- C16 H14 N2 -","- C16 H14 N2 -","- C128 H112 N16 -","8","2","SI2364","Zhang, Xiao-Xue; Zhu, Deng-Yong; Hao, Xin-Qi; Dong, Xin-Ming; Song, Mao-Ping","4,6-Dimethyl-2-(naphthalen-1-yl)pyrimidine","Acta Crystallographica Section E","2011","67","8","o2109","","10.1107/S1600536811027875","","","0.71073","MoKα","","0.0654","0.0436","","","0.1115","0.1285","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231299","9.7089","0.0006","11.5973","0.0005","16.7661","0.0009","90","","97.691","0.002","90","","1870.83","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzyl-4-methyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","SI2365","Faryal, Komal; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Ahmad, Saba; Adnan, Ahmad; Akkurt, Mehmet","<i>N</i>-Benzyl-4-methyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o2100","","10.1107/S1600536811028522","","","0.71073","MoKα","","0.0796","0.0469","","","0.1143","0.1329","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231300","13.2572","0.0005","11.856","0.0004","18.616","0.0007","90","","91.657","0.002","90","","2924.79","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-Methoxynaphthalen-1-yl)-2-benzofuran-1(3<i>H</i>)-one","","- C19 H14 O3 -","- C19 H14 O3 -","- C152 H112 O24 -","8","2","SJ5168","Silambarasan, V.; Sundaramoorthy, S.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.","3-(2-Methoxynaphthalen-1-yl)-2-benzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1973","","10.1107/S1600536811026596","","","0.71073","MoKα","","0.0815","0.0425","","","0.1014","0.1221","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231301","22.012","0.004","6.051","0.001","9.558","0.002","90","","95.9","0.01","90","","1266.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,5-Dimethylphenyl)succinamic acid monohydrate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C48 H68 N4 O16 -","4","1","SJ5169","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,5-Dimethylphenyl)succinamic acid monohydrate","Acta Crystallographica Section E","2011","67","8","o1879","","10.1107/S1600536811024937","","","0.71073","MoKα","","0.2299","0.0993","","","0.1157","0.1468","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231302","4.5138","0.0005","9.775","0.0009","11.5717","0.0011","78.748","0.002","82.526","0.003","86.038","0.002","496","0.09","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","3-Allyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","","- C9 H8 Br N3 O -","- C9 H8 Br N3 O -","- C18 H16 Br2 N6 O2 -","2","1","SJ5172","Dahmani, Siham; Kandri Rodi, Youssef; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","3-Allyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1998","","10.1107/S1600536811025037","","","0.71073","MoKα","","0.0562","0.0464","","","0.1188","0.1269","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231303","4.713","0.001","11.963","0.003","20.687","0.004","90","","94.64","0.02","90","","1162.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2,6-Dichlorophenyl)succinamic acid","","- C10 H9 Cl2 N O3 -","- C10 H9 Cl2 N O3 -","- C40 H36 Cl8 N4 O12 -","4","1","SJ5173","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,6-Dichlorophenyl)succinamic acid","Acta Crystallographica Section E","2011","67","8","o1880","","10.1107/S1600536811024949","","","0.71073","MoKα","","0.1963","0.1187","","","0.1938","0.2224","","","","","","1.335","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231304","9.8887","0.0003","15.6028","0.0004","20.4857","0.0005","90","","90","","90","","3160.77","0.15","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pruniflorone M monohydrate","(2<i>R</i>)-5,10-Dihydroxy-2-hydroxymethyl-1,1-dimethyl-1<i>H</i>- furo[2,3-<i>c</i>]xanthen-6-one monohydrate","","- C18 H18 O7 -","- C18 H18 O7 -","- C144 H144 O56 -","8","2","SJ5174","Fun, Hoong-Kun; Chantrapromma, Suchada; Boonnak, Nawong; Karalai, Chatchanok; Chantrapromma, Kan","Redetermination and absolute configuration of pruniflorone M monohydrate","Acta Crystallographica Section E","2011","67","8","o1916","o1917","10.1107/S1600536811025177","","","1.54178","CuKα","","0.0446","0.0428","","","0.1181","0.1204","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231305","12.7999","0.0003","15.8414","0.0004","13.6869","0.0003","90","","102.461","0.001","90","","2709.89","0.11","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis{<i>N</i>-methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane- 1,2-diamine}zinc bis(perchlorate)","","- C20 H30 Cl2 N6 O8 Zn -","- C20 H30 Cl2 N6 O8 Zn -","- C80 H120 Cl8 N24 O32 Zn4 -","4","2","SJ5175","Wang, Chen-Yi","Bis{<i>N</i>-methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine}zinc bis(perchlorate)","Acta Crystallographica Section E","2011","67","8","m1038","m1039","10.1107/S1600536811026079","","","0.71073","MoKα","","0.0757","0.0586","","","0.1539","0.1683","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231306","9.9789","0.0002","10.6058","0.0003","10.8386","0.0003","75.892","0.0013","72.225","0.0015","69.605","0.0015","1011.66","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(2-chlorobenzyl)-<i>N</i>''-(2,2,2- trichloroacetyl)phosphoric triamide","","- C16 H15 Cl5 N3 O2 P -","- C16 H15 Cl5 N3 O2 P -","- C32 H30 Cl10 N6 O4 P2 -","2","1","SJ5176","Pourayoubi, Mehrdad; Fadaei, Hassan; Parvez, Masood","<i>N</i>,<i>N</i>'-Bis(2-chlorobenzyl)-<i>N</i>''-(2,2,2-trichloroacetyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","8","o2046","","10.1107/S1600536811027681","","","0.71073","MoKα","","0.0598","0.0525","","","0.1224","0.1292","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231307","15.938","0.002","4.8055","0.0004","8.492","0.0012","90","","98.109","0.011","90","","643.9","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-Acryloylglycinamide","<i>N</i>-(Carbamoylmethyl)prop-2-enamide","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","SJ5179","Seuring, Jan; Agarwal, Seema; Harms, Klaus","<i>N</i>-Acryloyl glycinamide","Acta Crystallographica Section E","2011","67","8","o2170","","10.1107/S1600536811029758","","","0.71073","MoKα","","0.0459","0.0323","","","0.0802","0.0846","","","","","","0.974","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231308","15.2216","0.0004","14.6734","0.0004","6.1463","0.0001","90","","95.872","0.001","90","","1365.59","0.06","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[4-(Trifluoromethoxy)benzylidene]indan-1-one","","- C17 H11 F3 O2 -","- C17 H11 F3 O2 -","- C68 H44 F12 O8 -","4","1","SJ5181","Ali, Mohamed Ashraf; Ismail, Rusli; Tan, Soo Choon; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(<i>E</i>)-2-[4-(Trifluoromethoxy)benzylidene]indan-1-one","Acta Crystallographica Section E","2011","67","8","o2147","","10.1107/S1600536811028698","","","0.71073","MoKα","","0.0821","0.0689","","","0.173","0.1808","","","","","","1.112","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231309","19.876","0.0003","6.6126","0.0001","14.4421","0.0002","90","","95.107","0.001","90","","1890.62","0.05","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(<i>E</i>)-2-[4-(Dimethylamino)styryl]-1-methylpyridinium triiodide","","- C16 H19 I3 N2 -","- C16 H19 I3 N2 -","- C64 H76 I12 N8 -","4","0.5","SJ5182","Fun, Hoong-Kun; Chanawanno, Kullapa; Chantrapromma, Suchada","(<i>E</i>)-2-[4-(Dimethylamino)styryl]-1-methylpyridinium triiodide","Acta Crystallographica Section E","2011","67","8","o2151","","10.1107/S1600536811028753","","","0.71073","MoKα","","0.0334","0.0302","","","0.0766","0.0791","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231310","7.646","0.0011","12.5507","0.0018","16.477","0.002","70.605","0.003","89.562","0.003","82.155","0.003","1476.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis(4-morpholin-4-yl)phosphinic (chlorodifluoroacetyl)amide","<i>N</i>-[bis(morpholin-4-yl)phosphinoyl]-2-chloro-2,2-difluoroacetamide","","- C10 H17 Cl F2 N3 O4 P -","- C10 H17 Cl F2 N3 O4 P -","- C40 H68 Cl4 F8 N12 O16 P4 -","4","2","SJ5185","Pourayoubi, Mehrdad; Saneei, Anahid","<i>N</i>-[Bis(morpholin-4-yl)phosphinoyl]-2-chloro-2,2-difluoroacetamide","Acta Crystallographica Section E","2011","67","8","o2201","","10.1107/S1600536811030194","","","0.71073","MoKα","","0.1","0.0649","","","0.1573","0.1718","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231311","21.925","0.004","5.5855","0.0008","9.381","0.001","90","","93.91","0.01","90","","1146.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(4-chlorophenylsulfonyl)suberamide","","- C20 H22 Cl2 N2 O6 S2 -","- C20 H22 Cl2 N2 O6 S2 -","- C40 H44 Cl4 N4 O12 S4 -","2","0.5","SJ6195","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(4-chlorophenylsulfonyl)suberamide","Acta Crystallographica Section E","2011","67","8","o2101","","10.1107/S1600536811028662","","","0.71073","MoKα","","0.0943","0.0633","","","0.1026","0.1147","","","","","","1.177","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231312","10.196","0.002","11.425","0.002","16.572","0.003","90","","98.67","0.03","90","","1908.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)pyridine]di-μ~3~-iodido- diiodidotetracopper(I)","","- C30 H34 Cu4 I4 N10 -","- C30 H34 Cu4 I4 N10 -","- C60 H68 Cu8 I8 N20 -","2","0.5","SU2284","Jia, Chun-Xiao","Bis[2,6-bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)pyridine]di-μ~3~-iodido-diiodidotetracopper(I)","Acta Crystallographica Section E","2011","67","8","m1059","","10.1107/S1600536811026468","","","0.71073","MoKα","","0.0518","0.0436","","","0.1375","0.1444","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231313","7.938","0.005","18.3232","0.0015","8.826","0.0005","90","","110.021","0.005","90","","1206.2","0.8","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Morpholin-4-ium morpholine-4-carbodithioate","","- C9 H18 N2 O2 S2 -","- C9 H18 N2 O2 S2 -","- C36 H72 N8 O8 S8 -","4","1","SU2285","Mafud, Ana C.; Sanches, Edgar A.; Gambardella, Maria Teresa","Morpholin-4-ium morpholine-4-carbodithioate","Acta Crystallographica Section E","2011","67","8","o2008","","10.1107/S1600536811026286","","","0.71073","MoKα","","0.1272","0.0504","","","","0.1447","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231314","16.065","0.003","7.946","0.002","24.534","0.003","90","","90","","90","","3131.8","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Dimethylamino-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C136 H152 N24 O16 -","8","1","SU2286","Su, Fu; Gu, Zheng-Gui; Lin, Jun","4-Dimethylamino-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","8","o1896","","10.1107/S1600536811025220","","","0.71073","MoKα","","0.1257","0.0637","","","0.1206","0.14","","","","","","0.99","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231315","9.1299","0.0015","7.16","0.0011","11.374","0.002","90","","113.232","0.009","90","","683.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-4-methyl-1<i>H</i>-pyrazol-2-ium-5-olate","","- C6 H10 N2 O -","- C6 H10 N2 O -","- C24 H40 N8 O4 -","4","1","SU2287","Rathore, R. S.; Narasimhamurthy, T.; Ragavan, R. Venkat; Vijayakumar, V.; Sarveswari, S.","3-Ethyl-4-methyl-1<i>H</i>-pyrazol-2-ium-5-olate","Acta Crystallographica Section E","2011","67","8","o2129","","10.1107/S160053681102808X","","","0.71073","MoKα","","0.0726","0.0491","","","0.121","0.1358","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231316","10.1483","0.0005","9.6375","0.0004","11.2118","0.0005","90","","92.278","0.002","90","","1095.7","0.09","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-Bromo-4-hydrazinylidene-1-methyl-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C9 H10 Br N3 O2 S -","- C9 H10 Br N3 O2 S -","- C36 H40 Br4 N12 O8 S4 -","4","1","SU2288","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","6-Bromo-4-hydrazinylidene-1-methyl-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2011","67","8","o2078","","10.1107/S1600536811027930","","","0.71073","MoKα","","0.0579","0.0323","","","0.0701","0.0791","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231317","7.0413","0.0004","8.3538","0.0005","17.8755","0.001","95.546","0.001","96.886","0.001","97.177","0.001","1029.03","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tetraaquabis(μ~3~-1<i>H</i>-imidazole-4,5-dicarboxylato)tetrakis(μ~2~- 1<i>H</i>-imidazole-4,5-dicarboxylato)tricobalt(II)diytterbium(III)] dihydrate]","","- C30 H24 Co3 N12 O30 Yb2 -","- C30 H24 Co3 N12 O30 Yb2 -","- C30 H24 Co3 N12 O30 Yb2 -","1","0.5","SU2289","Zhu, Li-Cai","Poly[[tetraaquabis(μ~3~-1<i>H</i>-imidazole-4,5-dicarboxylato)tetrakis(μ~2~-1<i>H</i>-imidazole-4,5-dicarboxylato)tricobalt(II)diytterbium(III)] dihydrate]","Acta Crystallographica Section E","2011","67","8","m1121","m1122","10.1107/S1600536811028285","","","0.71073","MoKα","","0.0262","0.0231","","","0.052","0.0536","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231318","34.175","0.0017","7.1613","0.0003","22.6351","0.0011","90","","115.307","0.006","90","","5008","0.5","295","","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1-(2-Hydroxyethyl)-4-[3-(2-trifluoromethyl-9<i>H</i>-thioxanthen-9- ylidene)propyl]piperazine-1,4-diium dichloride","","- C23 H27 Cl2 F3 N2 O S -","- C23 H27 Cl2 F3 N2 O S -","- C184 H216 Cl16 F24 N16 O8 S8 -","8","1","SU2290","Siddegowda, M. S.; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Narayana, B.","1-(2-Hydroxyethyl)-4-[3-(2-trifluoromethyl-9<i>H</i>-thioxanthen-9-ylidene)propyl]piperazine-1,4-diium dichloride: the dihydrochloride salt of flupentixol","Acta Crystallographica Section E","2011","67","8","o2079","o2080","10.1107/S1600536811028182","","","1.54184","CuKα","","0.0857","0.0687","","","0.2071","0.2296","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231319","7.3412","0.0002","17.5051","0.0005","12.2426","0.0003","90","","90","","90","","1573.28","0.07","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Bis(pyridin-2-yl)-1<i>H</i>-benzimidazol-3-ium tetrafluoridoborate","","- C17 H13 B F4 N4 -","- C17 H13 B F4 N4 -","- C68 H52 B4 F16 N16 -","4","0.5","SU2291","Grieco, Gabriele; Blacque, Olivier; Berke, Heinz","1,3-Bis(pyridin-2-yl)-1<i>H</i>-benzimidazol-3-ium tetrafluoridoborate","Acta Crystallographica Section E","2011","67","8","o2066","o2067","10.1107/S1600536811027942","","","0.71073","MoKα","","","0.0421","","","","0.117","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231320","15.243","0.013","4.02","0.004","20.142","0.018","90","","103.248","0.008","90","","1201.4","1.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Bromo-<i>N</i>-(2-chlorobenzylidene)aniline","","- C13 H9 Br Cl N -","- C13 H9 Br Cl N -","- C52 H36 Br4 Cl4 N4 -","4","1","SU2298","Wang, Chuang","(<i>E</i>)-4-Bromo-<i>N</i>-(2-chlorobenzylidene)aniline","Acta Crystallographica Section E","2011","67","8","o2204","","10.1107/S1600536811029977","","","0.71073","MoKα","","0.0886","0.0482","","","0.1168","0.1377","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231321","6.66","0.002","19.068","0.003","12.73","0.002","90","","93.222","0.002","90","","1614.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide methanol monosolvate","","- C15 H14 Br N3 O5 -","- C15 H14 Br N3 O5 -","- C60 H56 Br4 N12 O20 -","4","1","SU2299","Liu, Wei-Hua; Song, Shuang-Ju; Ma, Jing-Jun","<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","8","o2198","","10.1107/S1600536811030108","","","0.71073","MoKα","","0.1184","0.0487","","","0.083","0.1008","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231322","4.8765","0.0005","13.4476","0.0016","9.6656","0.0011","90","","99.579","0.001","90","","625.01","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Hydroxypyridine-4-carboxamide","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","TK2754","Wu, Qingkun; Yin, Handong","<i>N</i>-Hydroxypyridine-4-carboxamide","Acta Crystallographica Section E","2011","67","8","o1905","","10.1107/S1600536811025566","","","0.71073","MoKα","","0.0615","0.0394","","","0.1002","0.1152","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231323","7.43","0.005","11.627","0.008","14.026","0.009","95.848","0.007","93.477","0.013","92.92","0.009","1201.2","1.4","116","2","116","2","","","","","","","","6","P -1","-P 1","2","","{4,6-Bis[(<i>E</i>)-1-methyl-2-(pyridin-2-ylmethylidene-κ<i>N</i>)hydrazinyl- κ<i>N</i>^2^]pyrimidine-κ<i>N</i>^1^}dichloridocopper(II) methanol disolvate monohydrate","","- C20 H26 Cl2 Cu N8 O3 -","- C20 H28 Cl2 Cu N8 O3 -","- C40 H56 Cl4 Cu2 N16 O6 -","2","1","TK2760","Marzec, Bartosz; Mariyatra, M. Baby; McCabe, Thomas; Schmitt, Wolfgang","{4,6-Bis[(<i>E</i>)-1-methyl-2-(pyridin-2-ylmethylidene-κ<i>N</i>)hydrazinyl-κ<i>N</i>^2^]pyrimidine-κ<i>N</i>^1^}dichloridocopper(II) methanol disolvate monohydrate","Acta Crystallographica Section E","2011","67","8","m1073","m1074","10.1107/S1600536811025414","","","0.71075","MoKα","","0.0785","0.0469","","","0.0927","0.104","","","","","","0.824","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2231324","7.6183","0.0003","13.9605","0.0004","17.4172","0.0007","90","","101.053","0.004","90","","1818.05","0.12","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-[3-(Dimethylamino)propyl]-2-trifluoromethyl-9<i>H</i>-thioxanthen-9-ol","","- C19 H20 F3 N O S -","- C19 H20 F2.997 N O S -","- C76 H80 F11.988 N4 O4 S4 -","4","1","TK2761","Jasinski, Jerry P.; Golen, James A.; Siddegowda, M. S.; Yathirajan, H. S.; Swamy, M. T.","9-[3-(Dimethylamino)propyl]-2-trifluoromethyl-9<i>H</i>-thioxanthen-9-ol","Acta Crystallographica Section E","2011","67","8","o1883","","10.1107/S1600536811025311","","","0.71073","MoKα","","0.0539","0.0428","","","0.1063","0.1159","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231325","8.2574","0.0014","18.961","0.003","9.0914","0.0015","90","","102.962","0.004","90","","1387.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Phenyl-1-(prop-2-yn-1-yl)-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","TK2762","Loughzail, Mohamed; Fernandes, José A.; Baouid, Abdesselam; Essaber, Mohamed; Cavaleiro, José A. S.; Almeida Paz, Filipe A.","4-Phenyl-1-(prop-2-yn-1-yl)-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2075","o2076","10.1107/S1600536811027371","","","0.71073","MoKα","","0.0799","0.0519","","","0.1293","0.1429","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231326","6.4175","0.0002","9.6185","0.0004","25.5771","0.001","96.377","0.004","96.295","0.003","92.774","0.003","1556.63","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-(2-Hydroxyethyl)-4-{3-[(<i>E</i>)-2-(trifluoromethyl)-9<i>H</i>-thioxanthen- 9-ylidene]propyl}piperazine-1,4-diium bis(3-carboxyprop-2-enoate)","","- C31 H33 F3 N2 O9 S -","- C31 H33 F3 N2 O9 S -","- C62 H66 F6 N4 O18 S2 -","2","1","TK2763","Siddegowda, M. S.; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Ramesh, A. R.","1-(2-Hydroxyethyl)-4-{3-[(<i>E</i>)-2-(trifluoromethyl)-9<i>H</i>-thioxanthen-9-ylidene]propyl}piperazine-1,4-diium bis(3-carboxyprop-2-enoate)","Acta Crystallographica Section E","2011","67","8","o2017","o2018","10.1107/S160053681102722X","","","1.54184","CuKα","","0.0622","0.0552","","","0.155","0.1617","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231327","6.544","0.0011","6.949","0.0008","12.0723","0.0017","93.976","0.007","105.012","0.009","99.703","0.008","518.96","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5-Amino-1<i>H</i>-1,2,4-triazol-4-ium-3-carboxylate hemihydrate","","- C3 H5 N4 O2.5 -","- C3 H5 N4 O2.5 -","- C12 H20 N16 O10 -","4","2","TK2764","Fernandes, José A.; Liu, Bing; Tomé, João P. C.; Cunha-Silva, Luís; Almeida Paz, Filipe A.","5-Amino-1<i>H</i>-1,2,4-triazol-4-ium-3-carboxylate hemihydrate","Acta Crystallographica Section E","2011","67","8","o2073","o2074","10.1107/S160053681102811X","","","0.71073","MoKα","","0.0803","0.0657","","","0.1968","0.202","","","","","","1.239","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231328","9.7435","0.0014","9.7435","0.0014","25.717","0.006","90","","90","","90","","2441.5","0.8","291","2","291","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","Bis(2-hydroxybenzophenone)-2,2'-dimethylpropanediimine copper(II)","{2,2'-[(2,2-Dimethylpropane-1,3- diyldinitrilo)bis(phenylmethylidyne)]diphenolato}copper(II)","","- C31 H28 Cu N2 O2 -","- C31 H28 Cu N2 O2 -","- C124 H112 Cu4 N8 O8 -","4","0.5","TK2765","Kargar, Hadi; Kia, Reza; Moghadam, Majid; Froozandeh, Fatemeh; Tahir, Muhammad Nawaz","{2,2'-[(2,2-Dimethylpropane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenolato}copper(II)","Acta Crystallographica Section E","2011","67","8","m1145","","10.1107/S1600536811028844","","","0.71073","MoKα","","0.1324","0.0698","","","0.0537","0.064","","","","","","0.84","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231329","32.376","0.018","6.145","0.004","22.752","0.013","90","","122.063","0.008","90","","3836","4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene-κ<i>O</i>]-4- methylbenzohydrazidato-κ^2^<i>N</i>',<i>O</i>}(pyridine-κ<i>N</i>)nickel(II)","","- C21 H18 Br N3 Ni O2 -","- C21 H18 Br N3 Ni O2 -","- C168 H144 Br8 N24 Ni8 O16 -","8","1","TK2766","Zheng, Chang-Zheng; Wang, Liang; Liu, Juan; Wang, Yu-Jie","{<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene-κ<i>O</i>]-4-methylbenzohydrazidato-κ^2^<i>N</i>',<i>O</i>}(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2011","67","8","m1132","","10.1107/S1600536811029114","","","0.71073","MoKα","","0.0624","0.0382","","","0.0837","0.0934","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231330","7.6603","0.0003","16.4549","0.0006","15.8849","0.0006","90","","95.243","0.001","90","","1993.91","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(Anthracen-9-ylmethylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>- pyrazol-3(2<i>H</i>)-one","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","TK2768","Asiri, Abdullah M.; Khan, Salman A.; Tahir, M. Nawaz","4-[(Anthracen-9-ylmethylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2163","","10.1107/S1600536811029126","","","0.71073","MoKα","","0.0541","0.0392","","","0.0955","0.1087","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231331","10.7364","0.0002","6.8925","0.0001","16.3901","0.0003","90","","101.87","0.001","90","","1186.94","0.04","296","2","296","2","101","","","","","","","4","P 1 21 1","P 2yb","4","","6-Nitro-2,3-dihydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine- 5,11(10<i>H</i>,11a<i>H</i>)-dione","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","2","VM2102","Jebani, Abdessamad; Zouihri, Hafid; El Hakmaoui, Ahmed; Lazar, Saïd; Akssira, Mohamed","6-Nitro-2,3-dihydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11(10<i>H</i>,11a<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","8","o2003","","10.1107/S1600536811024500","","","0.71073","MoKα","","0.0311","0.0298","","","0.0789","0.08","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231332","8.3752","0.0009","9.2079","0.0008","10.7199","0.001","100.288","0.001","101.495","0.001","116.108","0.002","693.35","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(benzimidazol-1-yl)methane dihydrate","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C30 H32 N8 O4 -","2","1","VM2104","Fang, Yuping; Jin, Shouwen; Chen, Bingxia; Ge, Yushuang; Yin, Huabing","Bis(benzimidazol-1-yl)methane dihydrate","Acta Crystallographica Section E","2011","67","8","o2082","","10.1107/S1600536811027966","","","0.71073","MoKα","","0.1027","0.0497","","","0.1163","0.1476","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231333","7.7238","0.001","8.382","0.001","15.8143","0.0018","98.667","0.002","93.828","0.002","113.849","0.002","916.44","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-(4-chlorophenyl)-1-(2-oxo-2-phenylethyl)-1<i>H</i>-pyrazole-5-carboxylate","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C40 H34 Cl2 N4 O6 -","2","1","VM2105","Zheng, Liang-Wen; Liu, Yin-Rui; Zhao, Bao-Xiang","Ethyl 3-(4-chlorophenyl)-1-(2-oxo-2-phenylethyl)-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2011","67","8","o1910","o1911","10.1107/S1600536811025918","","","0.71073","MoKα","","0.0801","0.0477","","","0.1029","0.1227","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231334","11.3578","0.0004","7.4923","0.0002","14.9676","0.0006","90","","99.589","0.003","90","","1255.89","0.08","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Ethyl-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C13 H12 N2 O2 S -","- C13 H12 N2 O2 S -","- C52 H48 N8 O8 S4 -","4","1","VM2106","Ceylan, Ümit; Tanak, Hasan; Gümüş, Sümeyye; Ağar, Erbil","2-Ethyl-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2011","67","8","o2004","","10.1107/S1600536811024615","","","0.71073","MoKα","","0.0375","0.0323","","","0.084","0.087","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231335","18.7988","0.0017","5.9314","0.0006","12.5083","0.001","90","","90","","90","","1394.7","0.2","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-<i>N</i>-(Ferrocenylmethylidene)(pyridin-3-yl)methanamine","","- C17 H16 Fe N2 -","- C17 H16 Fe N2 -","- C68 H64 Fe4 N8 -","4","1","VM2107","Adams, Nadia; Gerber, Thomas; McCleland, Cedric; Betz, Richard","(<i>E</i>)-<i>N</i>-(Ferrocenylmethylidene)(pyridin-3-yl)methanamine","Acta Crystallographica Section E","2011","67","8","m1084","","10.1107/S1600536811027346","","","0.71069","MoKα","","0.0435","0.0329","","","0.0705","0.0731","","","","","","0.942","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231336","26.4648","0.0005","14.3131","0.0003","9.5492","0.0002","90","","96.766","0.001","90","","3591.98","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Methyl-4-{[(3-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol- 4-ylidene)(phenyl)methyl]aminomethyl}benzyl)amino](phenyl)methylidene}- 1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C42 H36 N6 O2 -","- C42 H36 N6 O2 -","- C168 H144 N24 O8 -","4","0.5","VM2108","Cai, Hong-Xin; Wu, Wei-Na; Li, Xiao-Xia; Wang, Yuan","3-Methyl-4-{[(3-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)(phenyl)methyl]aminomethyl}benzyl)amino](phenyl)methylidene}-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2015","","10.1107/S1600536811027000","","","0.71073","MoKα","","0.1084","0.0485","","","0.1252","0.1542","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231337","7.0569","0.0003","15.5302","0.0008","7.6947","0.0004","90","","95.415","0.004","90","","839.54","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","IB07","(2<i>R</i>)-3-(1<i>H</i>-indol-3-yl)-2-(4-nitro-1,3-dioxoisoindolin- 2-yl)propanoic acid","","- C19 H13 N3 O6 -","- C19 H13 N3 O6 -","- C38 H26 N6 O12 -","2","1","VM2109","Tilborg, Anaelle; Boittiaux, Irving; Norberg, Bernadette; Lambert, Didier; Wouters, Johan","4-Nitro-<i>N</i>-phthalyl-<small>L</small>-tryptophan","Acta Crystallographica Section E","2011","67","8","o2116","","10.1107/S1600536811029138","","","1.54184","CuKα","","0.0347","0.0307","","","0.0813","0.0906","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231338","5.726","0.001","4.787","0.001","41.583","0.006","90","","91.93","0.02","90","","1139.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,5-Dichlorophenyl)succinamic acid","","- C10 H9 Cl2 N O3 -","- C10 H9 Cl2 N O3 -","- C40 H36 Cl8 N4 O12 -","4","1","VM2110","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,5-Dichlorophenyl)succinamic acid","Acta Crystallographica Section E","2011","67","8","o2093","","10.1107/S1600536811028297","","","0.71073","MoKα","","0.1006","0.0768","","","0.1609","0.1708","","","","","","1.139","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231339","9.4882","0.0005","23.739","0.0011","11.2532","0.0006","90","","113.335","0.006","90","","2327.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Resorcinol‒triethylenediamine (1/1)","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C96 H144 N16 O16 -","8","2","VM2111","Gao, Yi-Hong","Resorcinol‒triethylenediamine (1/1)","Acta Crystallographica Section E","2011","67","8","o2158","","10.1107/S1600536811029308","","","0.71073","MoKα","","0.0585","0.0445","","","0.1123","0.1211","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231340","17.6587","0.0015","8.9235","0.0008","25.275","0.0016","90","","128.208","0.004","90","","3129.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Triaqua-1κ^3^<i>O</i>-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-pentacyanido- 2κ^5^<i>C</i>-tetrakis(dimethylformamide-1κ<i>O</i>)-1-holmium(III)-2- iron(III) monohydrate","","- C18 H36 Fe0.98 Ho N10 O8 Ru0.02 -","- C18 H36 Fe0.98 Ho N10 O8 Ru0.02 -","- C72 H144 Fe3.92 Ho4 N40 O32 Ru0.08 -","4","1","VN2013","Li, Hong-Fang; Zhao, Qi-Hua; Xie, Ming-Jin; Yang, Fan","Triaqua-1κ^3^<i>O</i>-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-pentacyanido-2κ^5^<i>C</i>-tetrakis(dimethylformamide-1κ<i>O</i>)-1-holmium(III)-2-iron(III) monohydrate","Acta Crystallographica Section E","2011","67","8","m1094","m1095","10.1107/S160053681102695X","","","0.71073","MoKα","","0.0524","0.0416","","","0.123","0.1305","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231341","5.7734","0.0005","8.4127","0.0007","12.5623","0.0011","90.443","0.001","100.715","0.001","107.188","0.001","571.46","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Dimethylethylenediammonium dioxalatocuprate(II)","","- C8 H14 Cu N2 O8 -","- C8 H14 Cu N2 O8 -","- C16 H28 Cu2 N4 O16 -","2","1","WM2502","Gaye, Papa Aly; Sarr, Aminata Diassé; Gaye, Mohamed; Sanselme, Morgane; Agasse, Peulon Valérie","<i>N</i>,<i>N</i>'-Dimethylethylenediammonium dioxalatocuprate(II)","Acta Crystallographica Section E","2011","67","8","m1046","","10.1107/S1600536811025682","","","0.71073","MoKα","","0.0251","0.0242","","","0.0695","0.07","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231342","11.7394","0.0001","14.4449","0.0001","24.3248","0.0003","102.374","0.001","90.1","0.001","92.164","0.001","4025.96","0.07","100","1","100","","","","","","","","","5","P -1","-P 1","2","","Octabutylbis[μ~2~-4-(diethylamino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[4- (diethylamino)benzoato-κ<i>O</i>]di-μ~3~-oxido-tetratin(IV)","","- C76 H128 N4 O10 Sn4 -","- C76 H128 N4 O10 Sn4 -","- C152 H256 N8 O20 Sn8 -","2","1","WM2503","Win, Yip-Foo; Choong, Chen-Shang; Ha, Sie-Tiong; Yeap, Chin Sing; Fun, Hoong-Kun","Octabutylbis[μ~2~-4-(diethylamino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[4-(diethylamino)benzoato-κ<i>O</i>]di-μ~3~-oxido-tetratin(IV)","Acta Crystallographica Section E","2011","67","8","m1018","m1019","10.1107/S1600536811025360","","","0.71073","MoKα","","0.0425","0.0326","","","0.0676","0.0725","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231343","15.764","0.009","6.494","0.005","11.302","0.004","90","","125.86","0.03","90","","937.7","1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cacodylic acid","dimethylarsinic acid","","- C2 H7 As O2 -","- C2 H7 As O2 -","- C16 H56 As8 O16 -","8","1","WM2504","Betz, Richard; McCleland, Cedric; Marchand, Harold","The monoclinic polymorph of dimethylarsinic acid","Acta Crystallographica Section E","2011","67","8","m1013","","10.1107/S1600536811025505","","","0.71069","MoKα","","0.0215","0.0204","","","0.0544","0.0551","","","","","","1.203","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231344","18.14","0.004","10.582","0.002","18.507","0.004","90","","115.02","0.03","90","","3219.2","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2-(2-furyl)-1-(2-furylmethyl)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]diiodidocadmium","","- C32 H24 Cd I2 N4 O4 -","- C32 H24 Cd I2 N4 O4 -","- C128 H96 Cd4 I8 N16 O16 -","4","0.5","WM2505","Yang, Huai-Xia; Wang, Xia; Xie, Cai-Xia; Li, Xiao-Fei; Liu, Yan-Ju","Bis[2-(2-furyl)-1-(2-furylmethyl)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]diiodidocadmium","Acta Crystallographica Section E","2011","67","8","m1149","","10.1107/S1600536811029321","","","0.71073","MoKα","","0.0487","0.0393","","","0.0794","0.0847","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231345","22.118","0.008","6.84","0.002","17.057","0.006","90","","93.407","0.005","90","","2575.9","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diiodidocadmium]-μ-[4,4'-(2,3,5,6-tetramethyl- 1,4-phenylene)bis(methylene)]bis(3,5-dimethyl-1<i>H</i>-pyrazole)- κ^2^<i>N</i>^2^:<i>N</i>^2'^]","","- C22 H30 Cd I2 N4 -","- C22 H30 Cd I2 N4 -","- C88 H120 Cd4 I8 N16 -","4","0.5","WM2507","Zhou, Yuanyuan; Wang, Zhaoyang; Yang, Guang; Ng, Seik Weng","<i>catena</i>-Poly[[diiodidocadmium]-μ-[4,4'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)]bis(3,5-dimethyl-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^2^:<i>N</i>^2'^]","Acta Crystallographica Section E","2011","67","8","m1037","","10.1107/S1600536811025797","","","0.71073","MoKα","","0.0621","0.0537","","","0.1273","0.1344","","","","","","1.183","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231346","4.84","0.001","5.56","0.001","14.752","0.003","93.47","0.02","91.39","0.02","97.71","0.02","392.46","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(3-methylphenyl)succinamide","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","1","0.5","WM2508","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(3-methylphenyl)succinamide","Acta Crystallographica Section E","2011","67","8","o2077","","10.1107/S1600536811028121","","","0.71073","MoKα","","0.0663","0.0495","","","0.1164","0.1296","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231347","15.3615","0.0003","6.9573","0.0002","18.3714","0.0004","90","","97.903","0.002","90","","1944.79","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cesium 4-nitroanthranilate monohydrate","Poly[di-μ-aqua-bis(μ-2-amino-4-nitrobenzoato)dicaesium]","","- C7 H7 Cs N2 O5 -","- C7 H7 Cs N2 O5 -","- C56 H56 Cs8 N16 O40 -","8","2","WM2509","Smith, Graham; Wermuth, Urs D.","Poly[di-μ-aqua-bis(μ-2-amino-4-nitrobenzoato)dicaesium]","Acta Crystallographica Section E","2011","67","8","m1047","m1048","10.1107/S1600536811026614","","","0.71073","MoKα","","0.0334","0.0236","","","0.0472","0.0486","","","","","","1.024","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2231348","10.0965","0.0003","10.0208","0.0003","14.5893","0.0003","90","","129.177","0.001","90","","1144.25","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaqua(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato- κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)cobalt(II) monohydrate","","- C8 H16 Co O9 -","- C8 H16 Co O9 -","- C32 H64 Co4 O36 -","4","1","WM2510","Zhang, Fan; Jia, Ai-Ping; Lin, Qiu-Yue","Triaqua(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)cobalt(II) monohydrate","Acta Crystallographica Section E","2011","67","8","m1119","m1120","10.1107/S1600536811028431","","","0.71073","MoKα","","","0.0234","","","0.0627","0.0633","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231349","10.5656","0.0013","15.3433","0.0019","11.5706","0.0014","90","","111.506","0.002","90","","1745.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 1-benzyl-3-(4-bromophenyl)-1<i>H</i>-pyrazole-5-carboxylate","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","WN2438","Jia, Jiong; Yang, He; Ge, Yan Qing; Wang, Jian Wu","Ethyl 1-benzyl-3-(4-bromophenyl)-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2011","67","8","o1918","","10.1107/S1600536811024986","","","0.71073","MoKα","","0.0524","0.0343","","","0.0794","0.0879","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231350","12.4709","0.0005","10.4191","0.0005","10.6451","0.0005","90","","101.25","0.004","90","","1356.6","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-2-Aminopyridinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","WN2440","Smith, Graham; Wermuth, Urs D.","<i>rac</i>-2-Aminopyridinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","Acta Crystallographica Section E","2011","67","8","o1900","","10.1107/S1600536811025256","","","0.71073","MoKα","","0.0508","0.0328","","","0.0773","0.0811","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231351","30.024","0.005","5.9898","0.0009","7.6862","0.0011","90","","90","","90","","1382.3","0.4","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[(<i>E</i>)-4-(Dimethylamino)benzylidene]indan-1-one","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","WN2441","Ali, Mohamed Ashraf; Ismail, Rusli; Choon, Tan Soo; Loh, Wan-Sin; Fun, Hoong-Kun","2-[(<i>E</i>)-4-(Dimethylamino)benzylidene]indan-1-one","Acta Crystallographica Section E","2011","67","8","o1983","o1984","10.1107/S160053681102664X","","","0.71073","MoKα","","0.0544","0.0374","","","0.0891","0.0992","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231352","7.3234","0.0011","7.796","0.0012","16.897","0.003","96.819","0.003","95.641","0.003","115.52","0.002","852.3","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","(1<i>E</i>,4<i>Z</i>,6<i>E</i>)-5-Hydroxy-1,7-bis(2-methoxyphenyl)-1,4,6- heptatrien-3-one","","- C21 H20 O4 -","- C21 H20 O4 -","- C42 H40 O8 -","2","1","XU5219","Zhao, Yiliang; Groundwater, Paul W.; Hibbs, David E.; Nguyen, Paul K.; Narlawar, Rajeshwar","(1<i>E</i>,4<i>Z</i>,6<i>E</i>)-5-Hydroxy-1,7-bis(2-methoxyphenyl)-1,4,6-heptatrien-3-one","Acta Crystallographica Section E","2011","67","8","o1885","","10.1107/S160053681102469X","","","0.71073","MoKα","","0.0631","0.0441","","","0.1104","0.1203","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231353","12.408","0.003","13.932","0.003","8.0951","0.0016","90","","102.41","0.03","90","","1366.7","0.5","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Aminoanilinium 6-carboxypicolinate monohydrate","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","1","XU5250","Wang, Yu-Tang; Gao, De-Jiang","2-Aminoanilinium 6-carboxypicolinate monohydrate","Acta Crystallographica Section E","2011","67","8","o1893","","10.1107/S1600536811025050","","","0.71073","MoKα","","0.0461","0.0402","","","0.1134","0.1172","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231354","6.1169","0.0007","7.4708","0.0008","18.2536","0.0018","90","","97.975","0.011","90","","826.09","0.15","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(4-Chlorophenyl)-<i>N</i>-[(<i>E</i>)-4-(dimethylamino)benzylidene]- 1,3-thiazol-2-amine","","- C18 H16 Cl N3 S -","- C18 H16 Cl N3 S -","- C36 H32 Cl2 N6 S2 -","2","1","XU5251","Vijaya, S.; Vasu; Gowda, K. V. Arjuna; Narasimhamurthy, T.; Rathore, R. S.","4-(4-Chlorophenyl)-<i>N</i>-[(<i>E</i>)-4-(dimethylamino)benzylidene]-1,3-thiazol-2-amine","Acta Crystallographica Section E","2011","67","8","o2115","","10.1107/S1600536811028078","","","0.71073","MoKα","","0.1542","0.0479","","","0.0492","0.0619","","","","","","0.777","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231355","7.7812","0.0002","12.791","0.0003","14.2575","0.0004","90","","105.539","0.003","90","","1367.17","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ-1,4-bis(imidazol-1-ylmethyl)benzene]dichloridomanganese(II)]","","- C28 H28 Cl2 Mn N8 -","- C28 H28 Cl2 Mn N8 -","- C56 H56 Cl4 Mn2 N16 -","2","0.5","XU5253","Mei, Chong-Zhen; Shan, Wen-Wen; Li, Kai-Hui","Poly[bis[μ-1,4-bis(imidazol-1-ylmethyl)benzene]dichloridomanganese(II)]","Acta Crystallographica Section E","2011","67","8","m1156","","10.1107/S1600536811029485","","","0.71073","MoKα","","0.032","0.0276","","","0.0908","0.0934","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231356","7.8093","0.0002","9.795","0.0003","16.938","0.0005","90.772","0.002","91.256","0.002","106.916","0.004","1239","0.07","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis(4-ethylbenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]- μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>] monohydrate]","","- C24 H26 N2 O6 Pb -","- C24 H26 N2 O6 Pb -","- C48 H52 N4 O12 Pb2 -","2","1","XU5254","Hökelek, Tuncer; Tercan, Barış; Şahin, Ertan; Aktaş, Vedat; Necefoğlu, Hacali","<i>catena</i>-Poly[[[bis(4-ethylbenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]-μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>] monohydrate]","Acta Crystallographica Section E","2011","67","8","m1057","m1058","10.1107/S1600536811026535","","","0.71073","MoKα","","0.0558","0.0425","","","0.0878","0.099","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231357","25.5434","0.0011","18.7954","0.0008","12.0837","0.0005","90","","90","","90","","5801.4","0.4","173","2","173","2","","","","","","","","5","A b a 2","A 2 -2ab","41","1-(2-Ureidoethyl)quinolinium tetraphenylborate","1-[2-(carbamoylamino)ethyl]quinolinium tetraphenylboranuide","","- C36 H34 B N3 O -","- C36 H34 B N3 O -","- C288 H272 B8 N24 O8 -","8","","XU5255","Dong, Zhi-Yun; Yang, Yu; Gao, Guo-Hua","1-(2-Ureidoethyl)quinolinium tetraphenylborate","Acta Crystallographica Section E","2011","67","8","o2031","","10.1107/S1600536811027218","","","0.71073","MoKα","","0.0342","0.0273","","","0.065","0.0697","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231358","17.1445","0.0012","6.166","0.0004","12.0198","0.0008","90","","98.608","0.002","90","","1256.34","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-aminopyrazine-κ<i>N</i>^4^)dichloridozinc","","- C8 H10 Cl2 N6 Zn -","- C8 H10 Cl2 N6 Zn -","- C32 H40 Cl8 N24 Zn4 -","4","0.5","XU5256","Gao, Shan; Ng, Seik Weng","Bis(2-aminopyrazine-κ<i>N</i>^4^)dichloridozinc","Acta Crystallographica Section E","2011","67","8","m1049","m1050","10.1107/S1600536811026031","","","0.71073","MoKα","","0.0257","0.0243","","","0.0652","0.0662","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231359","8.4851","0.0009","15.1215","0.0014","19.49","0.002","90","","103.826","0.002","90","","2428.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[dichloridomercury(II)]-μ-1,4-bis(3- pyridylaminomethyl)benzene-κ^2^<i>N</i>:<i>N</i>'] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]","","- C21 H25 Cl2 Hg N5 O -","- C21 H25 Cl2 Hg N5 O -","- C84 H100 Cl8 Hg4 N20 O4 -","4","1","XU5257","Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[[dichloridomercury(II)]-μ-1,4-bis(3-pyridylaminomethyl)benzene-κ^2^<i>N</i>:<i>N</i>'] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]","Acta Crystallographica Section E","2011","67","8","m1051","","10.1107/S1600536811026043","","","0.71073","MoKα","","0.1194","0.0505","","","0.1205","0.1673","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231360","5.8873","0.0003","25.0467","0.001","7.3041","0.0003","90","","99.016","0.004","90","","1063.74","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Chloro-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one","","- C10 H11 Cl N2 O2 -","- C10 H11 Cl N2 O2 -","- C40 H44 Cl4 N8 O8 -","4","1","XU5259","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Zayed, Mohie E. M.; Ng, Seik Weng","1-Chloro-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one","Acta Crystallographica Section E","2011","67","8","o1961","","10.1107/S1600536811026389","","","1.54184","CuKα","","0.0468","0.0379","","","0.0943","0.1015","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231361","5.7558","0.0004","23.3282","0.0017","7.4107","0.0006","90","","96.976","0.007","90","","987.69","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Chloro-1-[(4-chlorophenyl)hydrazinylidene]propan-2-one","","- C9 H8 Cl2 N2 O -","- C9 H8 Cl2 N2 O -","- C36 H32 Cl8 N8 O4 -","4","1","XU5260","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Zayed, Mohie E. M.; Ng, Seik Weng","1-Chloro-1-[(4-chlorophenyl)hydrazinylidene]propan-2-one","Acta Crystallographica Section E","2011","67","8","o1962","","10.1107/S1600536811026390","","","1.54184","CuKα","","0.0799","0.0699","","","0.1994","0.2075","","","","","","1.166","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231362","7.0628","0.0003","13.4182","0.0005","11.2884","0.0005","90","","95.589","0.004","90","","1064.72","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Chloro-1-[(4-nitrophenyl)hydrazinylidene]propan-2-one","","- C9 H8 Cl N3 O3 -","- C9 H8 Cl N3 O3 -","- C36 H32 Cl4 N12 O12 -","4","1","XU5261","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Zayed, Mohie E. M.; Ng, Seik Weng","1-Chloro-1-[(4-nitrophenyl)hydrazinylidene]propan-2-one","Acta Crystallographica Section E","2011","67","8","o1963","","10.1107/S1600536811026407","","","1.54184","CuKα","","0.0611","0.0537","","","0.1453","0.1521","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231363","11.0572","0.0003","7.657","0.0002","12.4613","0.0003","90","","105.063","0.003","90","","1018.79","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one","","- C10 H11 Cl N2 O -","- C10 H11 Cl N2 O -","- C40 H44 Cl4 N8 O4 -","4","2","XU5262","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Zayed, Mohie E. M.; Ng, Seik Weng","1-Chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one","Acta Crystallographica Section E","2011","67","8","o1964","","10.1107/S1600536811026419","","","1.54184","CuKα","","0.0475","0.0445","","","0.1212","0.1245","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231364","8.3508","0.0008","16.982","0.0018","22.337","0.002","90","","93.936","0.002","90","","3160.2","0.5","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene- κ^2^<i>N</i>:<i>N</i>']tetrakis(μ-methanolato-κ^2^<i>O</i>:<i>O</i>)bis(μ- perchlorato-κ^2^<i>O</i>:<i>O</i>')tetracopper(II) bis(perchlorate)","","- C52 H60 Cl4 Cu4 N8 O28 -","- C52 H60 Cl4 Cu4 N8 O28 -","- C104 H120 Cl8 Cu8 N16 O56 -","2","0.5","XU5263","Yeh, Chun-Wei; Huang, Fu-Chang; Jong, Ay; Suen, Maw-Cherng","Tetrakis[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']tetrakis(μ-methanolato-κ^2^<i>O</i>:<i>O</i>)bis(μ-perchlorato-κ^2^<i>O</i>:<i>O</i>')tetracopper(II) bis(perchlorate)","Acta Crystallographica Section E","2011","67","8","m1080","m1081","10.1107/S160053681102705X","","","0.71073","MoKα","","0.1294","0.0579","","","0.144","0.1858","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231365","7.7264","0.0006","7.2227","0.0006","12.7608","0.0011","90","","95.489","0.002","90","","708.86","0.1","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[(μ-2-amino-1,3,4-thiadiazole- κ^2^<i>N</i>^3^:<i>N</i>^4^)di-μ-chlorido-cadmium]","","- C2 H3 Cd Cl2 N3 S -","- C2 H3 Cd Cl2 N3 S -","- C8 H12 Cd4 Cl8 N12 S4 -","4","1","XU5265","Suen, Maw-Cherng; Yeh, Chun-Wei; Jou, Chi-Hsiung","<i>catena</i>-Poly[(μ-2-amino-1,3,4-thiadiazole-κ^2^<i>N</i>^3^:<i>N</i>^4^)di-μ-chlorido-cadmium]","Acta Crystallographica Section E","2011","67","8","m1082","","10.1107/S1600536811027048","","","0.71073","MoKα","","0.0223","0.0211","","","0.0555","0.0561","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231366","16.1747","0.0009","4.9242","0.0003","14.4572","0.0007","90","","91.701","0.003","90","","1150.97","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(5-Fluoro-7-methyl-3-methylsulfanyl-1-benzofuran-2-yl)acetic acid","","- C12 H11 F O3 S -","- C12 H11 F O3 S -","- C48 H44 F4 O12 S4 -","4","1","XU5266","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(5-Fluoro-7-methyl-3-methylsulfanyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2011","67","8","o1978","","10.1107/S1600536811026729","","","0.71073","MoKα","","0.0659","0.0477","","","0.1407","0.1525","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231367","9.511","0.003","9.786","0.003","17.144","0.005","90.688","0.004","100.178","0.006","111.006","0.006","1461.2","0.8","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Benzyl 3-[(<i>E</i>)-1-(pyrazin-2-yl)ethylidene]dithiocarbazate","","- C14 H14 N4 S2 -","- C14 H14 N4 S2 -","- C56 H56 N16 S8 -","4","2","XU5267","Shan, Shang; Huang, Yan-Lan; Guo, Han-Qi; Li, Deng-Feng; Sun, Jian","Benzyl 3-[(<i>E</i>)-1-(pyrazin-2-yl)ethylidene]dithiocarbazate","Acta Crystallographica Section E","2011","67","8","o2105","","10.1107/S1600536811028480","","","0.71073","MoKα","","0.0905","0.0438","","","0.0944","0.1109","","","","","","0.944","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231368","4.673","0.002","28.498","0.006","11.735","0.005","90","","94.07","0.004","90","","1558.8","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyl 3-[(<i>E</i>)-2-nitrobenzylidene]dithiocarbazate","","- C15 H13 N3 O2 S2 -","- C15 H13 N3 O2 S2 -","- C60 H52 N12 O8 S8 -","4","1","XU5268","Shan, Shang; Huang, Yan-Lan; Guo, Han-Qi; Li, Deng-Feng; Sun, Jian","Benzyl 3-[(<i>E</i>)-2-nitrobenzylidene]dithiocarbazate","Acta Crystallographica Section E","2011","67","8","o2107","","10.1107/S1600536811028686","","","0.71073","MoKα","","0.0888","0.0551","","","0.1318","0.1469","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231369","7.2213","0.0002","12.1782","0.0003","13.4931","0.0004","110.038","0.003","91.206","0.002","103.653","0.002","1076.51","0.06","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^1^- bis[aquabis(4-bromobenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-manganese(II)]","","- C40 H32 Br4 Mn2 N4 O12 -","- C40 H32 Br4 Mn2 N4 O12 -","- C40 H32 Br4 Mn2 N4 O12 -","1","0.5","XU5272","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Adıgüzel, Vedat; Hökelek, Tuncer","Di-μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^1^-bis[aquabis(4-bromobenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-manganese(II)]","Acta Crystallographica Section E","2011","67","8","m1128","m1129","10.1107/S1600536811028492","","","0.71073","MoKα","","0.0631","0.0488","","","0.1186","0.1264","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231370","7.545","0.0003","7.879","0.0003","11.99","0.0004","76.849","0.001","75.211","0.001","81.371","0.001","667.88","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate","","- C13 H13 N5 S -","- C13 H13 N5 S -","- C26 H26 N10 S2 -","2","1","YA2142","Schmitt, Bonell; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","8","o1981","o1982","10.1107/S1600536811026808","","","0.71069","MoKα","","0.03","0.028","","","0.08","0.082","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231371","17.1661","0.0006","8.9301","0.0003","22.8471","0.0008","90","","99.367","0.001","90","","3455.6","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,3,7,8,12,13,17,18-Octaethyl-5-phenyl-porphyrinato)platinum(II)","","- C42 H48 N4 Pt -","- C42 H48 N4 Pt -","- C168 H192 N16 Pt4 -","4","1","YA2143","Senge, Mathias O.; Richter, Julia","(2,3,7,8,12,13,17,18-Octaethyl-5-phenylporphyrinato)platinum(II)","Acta Crystallographica Section E","2011","67","8","m1077","","10.1107/S1600536811026882","","","0.71073","MoKα","","0.032","0.02","","","0.046","0.053","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231372","12.4231","0.0008","7.8464","0.0005","15.9801","0.001","90","","90","","90","","1557.69","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl(phenyl)phosphinic acid","","- C7 H9 O2 P -","- C7 H9 O2 P -","- C56 H72 O16 P8 -","8","1","ZB2012","Burrow, Robert A.; Siqueira da Silva, Rubia M.","Methyl(phenyl)phosphinic acid","Acta Crystallographica Section E","2011","67","8","o2005","","10.1107/S1600536811025530","","","0.71073","MoKα","","0.0905","0.0521","","","0.1241","0.1449","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231373","7.5882","0.0009","11.3506","0.0013","10.5462","0.0012","90","","102.258","0.002","90","","887.64","0.18","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","Steroid","21-Hydroxypregna-1,4-diene-3,20-dione","","- C21 H28 O3 -","- C21 H28 O3 -","- C42 H56 O6 -","2","1","ZB2014","Yousuf, S.; Bibi, M.; Choudhary, M. I.","21-Hydroxypregna-1,4-diene-3,20-dione","Acta Crystallographica Section E","2011","67","8","o2122","","10.1107/S1600536811028674","","","0.71073","MoKα","","0.0476","0.0383","","","0.0975","0.1067","","","","","","0.945","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231374","7.577","0.0001","16.253","0.0003","14.085","0.0003","90","","107.528","0.001","90","","1654.02","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","chalcone","(<i>E</i>)-1-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","ZJ2014","Carvalho-Jr, P. S.; Sallum, L. O.; Cidade, A. F.; Aquino, G. L. B.; Napolitano, H. B.","(<i>E</i>)-1-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","8","o2126","","10.1107/S1600536811028984","","","0.71073","MoKα","","0.0705","0.0559","","","","0.1744","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231375","5.593","0.001","8.827","0.002","9.908","0.002","89.28","0.02","87.75","0.02","81.16","0.01","482.96","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(4-chlorophenylsulfonyl)adipamide","","- C18 H18 Cl2 N2 O6 S2 -","- C18 H18 Cl2 N2 O6 S2 -","- C18 H18 Cl2 N2 O6 S2 -","1","0.5","ZJ2018","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(4-chlorophenylsulfonyl)adipamide","Acta Crystallographica Section E","2011","67","8","o2179","","10.1107/S1600536811030029","","","0.71073","MoKα","","0.2128","0.0806","","","0.0723","0.1035","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231376","5.7527","0.0001","22.3459","0.0004","10.0908","0.0002","90","","95.18","0.001","90","","1291.87","0.04","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Heptane-1,7-diaminium sulfate monohydrate","","- C7 H22 N2 O5 S -","- C7 H22 N2 O5 S -","- C28 H88 N8 O20 S4 -","4","1","ZK2015","Arderne, Charmaine","Heptane-1,7-diaminium sulfate monohydrate","Acta Crystallographica Section E","2011","67","8","o2183","","10.1107/S1600536811030030","","","0.71073","MoKα","","0.0484","0.0365","","","0.0982","0.1061","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231377","7.74","0.001","12.631","0.002","19.275","0.002","90","","90","","90","","1884.4","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","clostebol acetate","(8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>S</i>)-4-chloro- 3-oxoandrost-4-en-17β-yl acetate","","- C21 H29 Cl O3 -","- C21 H29 Cl O3 -","- C84 H116 Cl4 O12 -","4","1","ZL2382","Maccaroni, Elisabetta; Mele, Andrea; Del Rosso, Renato; Malpezzi, Luciana","Clostebol acetate","Acta Crystallographica Section E","2011","67","8","o1952","o1953","10.1107/S1600536811026560","","","0.71069","MoKα","","0.0559","0.0378","","","0.0746","0.0792","","","","","","0.967","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231378","6.8643","0.0002","8.4981","0.0002","14.2323","0.0003","102.512","0.001","99.846","0.001","92.092","0.001","796.23","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Cyclohexylsulfonyl-5-iodo-2,7-dimethyl-1-benzofuran","","- C16 H19 I O3 S -","- C16 H19 I O3 S -","- C32 H38 I2 O6 S2 -","2","1","ZL2384","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-Cyclohexylsulfonyl-5-iodo-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","8","o2053","","10.1107/S1600536811027395","","","0.71073","MoKα","","0.0244","0.0226","","","0.0573","0.0583","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231379","8.7665","0.0008","9.31","0.0005","20.661","0.003","92.56","0.009","95.926","0.002","115.427","0.006","1507.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-amine- κ^2^<i>N</i>^1^:<i>N</i>^2^)bis[bis(thiocyanato-κ<i>N</i>)zinc]‒ bis(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-amine- κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc (1/2)","","- C32 H48 N32 S8 Zn4 -","- C32 H48 N32 S8 Zn4 -","- C32 H48 N32 S8 Zn4 -","1","0.5","ZQ2110","Ge, Hai-Yan; Li, Bao-Long","Bis(μ-3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-amine-κ^2^<i>N</i>^1^:<i>N</i>^2^)bis[bis(thiocyanato-κ<i>N</i>)zinc]‒bis(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-amine-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc (1/2)","Acta Crystallographica Section E","2011","67","8","m1100","m1101","10.1107/S1600536811027887","","","0.7107","MoKα","","0.0569","0.0421","","","0.0823","0.0903","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231380","8.673","0.0017","10.132","0.002","11.088","0.002","90","","90","","90","","974.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanone","","- C11 H9 F N2 O -","- C11 H9 F N2 O -","- C44 H36 F4 N8 O4 -","4","1","ZQ2112","Liu, Dong-liang; Li, Chen; Yu, Guang-yan; Xiao, Tao","1-(4-Fluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanone","Acta Crystallographica Section E","2011","67","8","o2036","","10.1107/S1600536811026432","","","0.71073","MoKα","","0.06","0.0367","","","0.0821","0.0932","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231381","8.454","0.0017","11.722","0.002","20.648","0.004","90","","90","","90","","2046.2","0.7","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>)-3-Chloro-4-diallylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2- isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","","- C20 H30 Cl N O3 -","- C20 H30 Cl N O3 -","- C80 H120 Cl4 N4 O12 -","4","1","ZQ2113","Huang, Dong-Na; Tan, Yue-He; Fu, Jian-Hua; Wang, Zhao-Yang","(5<i>S</i>)-3-Chloro-4-diallylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2050","","10.1107/S1600536811027772","","","0.71073","MoKα","","0.0584","0.0382","","","0.0935","0.102","","","","","","0.965","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231382","27.842","0.002","11.7574","0.0011","18.565","0.002","90","","130.558","0.005","90","","4617.2","0.8","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-Methyl <i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]hydrazinecarboxylate 0.25-hydrate","","- C11 H11.5 N3 O2.25 -","- C11 H11.5 N3 O2.25 -","- C176 H184 N48 O36 -","16","2","ZS2120","Lv, Lu-Ping; Yu, Tie-Ming; Yu, Wen-Bo; Hu, Xian-Chao","(<i>E</i>)-Methyl <i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]hydrazinecarboxylate 0.25-hydrate","Acta Crystallographica Section E","2011","67","8","o1956","","10.1107/S1600536811026249","","","0.71073","MoKα","","0.0564","0.0402","","","0.113","0.1236","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231383","8.4214","0.0003","10.6787","0.0004","18.9554","0.0008","90","","90","","90","","1704.65","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-[(2,4-Dihydroxybenzylidene)azaniumyl]-3-(1<i>H</i>-indol- 3-yl)propanoate monohydrate","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","ZS2121","Ba-Salamah, Salah Ahmed; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Lo, Kong Mun","(<i>E</i>)-2-[(2,4-Dihydroxybenzylidene)azaniumyl]-3-(1<i>H</i>-indol-3-yl)propanoate monohydrate","Acta Crystallographica Section E","2011","67","8","o2113","o2114","10.1107/S1600536811028200","","","0.71073","MoKα","","0.0383","0.0337","","","0.0822","0.0849","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231384","11.0679","0.0011","17.6465","0.0016","7.8835","0.0006","90","","90","","90","","1539.7","0.2","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(Diphenylmethylidene)indolin-2-one","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","ZS2123","Yuan, Maosen; Wang, Qi; Zhang, Shujun; Gao, Peng; Wang, Junru","3-(Diphenylmethylidene)indolin-2-one","Acta Crystallographica Section E","2011","67","8","o2098","","10.1107/S1600536811028467","","","0.71073","MoKα","","0.1119","0.0374","","","0.0719","0.0974","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231385","4.8366","0.0002","25.7449","0.0011","8.542","0.0004","90","","96.509","0.002","90","","1056.77","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Hydroxy-2,3,5,10,11,11a-hexahydro-1<i>H</i>-pyrrolo[2,1- <i>c</i>][1,4]benzodiazepine-5,11-dione","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","2","ZS2124","Ourahou, Sarah; Zouihri, Hafid; Massoui, Mohamed; Essassi, El Mokhtar; Ng, Seik Weng","2-Hydroxy-2,3,5,10,11,11a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11-dione","Acta Crystallographica Section E","2011","67","8","o1906","","10.1107/S1600536811025244","","","0.71073","MoKα","","0.0577","0.0438","","","0.1018","0.1101","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231386","14.331","0.001","5.057","0.001","28.003","0.003","90","","90.2","0.005","90","","2029.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-pyridyl) disulfide‒2,2'-[(<i>p</i>-phenylenebis(oxy)]diacetic acid (1/1)","","- C20 H18 N2 O6 S2 -","- C20 H18 N2 O6 S2 -","- C80 H72 N8 O24 S8 -","4","0.5","ZS2125","Wang, Guang-Yin","Bis(4-pyridyl) disulfide‒2,2'-[(<i>p</i>-phenylenebis(oxy)]diacetic acid (1/1)","Acta Crystallographica Section E","2011","67","8","o1923","","10.1107/S1600536811025694","","","0.71073","MoKα","","0.0531","0.0431","","","0.1089","0.1143","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231387","5.897","0.0002","7.2088","0.0003","31.329","0.0004","90","","90","","90","","1331.8","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","eucomic acid‒methanol (1/1)","2-hydroxy-2-(4-hydroxybenzyl)butanedioic acid methanol monosolvate","","- C12 H16 O7 -","- C12 H16 O7 -","- C48 H64 O28 -","4","1","ZS2127","Li, Guo-Qiang; Li, Yao-Lan; Wang, Guo-Cai; Liang, Zhi-Hong; Jiang, Ren-Wang","Eucomic acid methanol monosolvate","Acta Crystallographica Section E","2011","67","8","o2192","","10.1107/S1600536811030017","","","0.71073","MoKα","","0.0397","0.0303","","","0.0752","0.0806","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231388","8.0866","0.0016","12.193","0.002","18.887","0.004","90","","101.9","0.03","90","","1822.2","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(2-methylbenzoato-κ<i>O</i>)bis(2- methylbenzoic acid-κ<i>O</i>)copper(II)","","- C38 H38 Cu N4 O8 -","- C38 H38 Cu N4 O8 -","- C76 H76 Cu2 N8 O16 -","2","0.5","ZS2128","Ni, Sheng-Liang; Zhao, Ming-Xing; Ge, Hai-Xia","Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(2-methylbenzoato-κ<i>O</i>)bis(2-methylbenzoic acid-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","8","m1123","m1124","10.1107/S160053681102839X","","","0.71073","MoKα","","0.0872","0.0463","","","0.1093","0.1636","","","","","","1.141","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231389","11.1346","0.0005","5.2082","0.0002","15.9958","0.0007","90","","93.154","0.002","90","","926.21","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-2,4,6-trimethylbenzylidene]ethane-1,2-diamine","","- C22 H28 N2 -","- C22 H28 N2 -","- C44 H56 N4 -","2","0.5","ZS2130","Yumata, Nonzaliseko; Gerber, Thomas; Hosten, Eric; Betz, Richard","<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-2,4,6-trimethylbenzylidene]ethane-1,2-diamine","Acta Crystallographica Section E","2011","67","8","o2175","","10.1107/S1600536811029424","","","0.71073","MoKα","","0.1138","0.0473","","","0.0976","0.1127","","","","","","0.892","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231390","8.8691","0.0009","14.1494","0.0015","14.32","0.0014","87.082","0.008","88.326","0.008","83.988","0.008","1784.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1,3-Diisopropyl-4,5-dimethylimidazolium benzenesulfonate","","- C17 H26 N2 O3 S -","- C17 H26 N2 O3 S -","- C68 H104 N8 O12 S4 -","4","2","ZS2131","Sweidan, Kamal; Mallah, Eyad; Abu-Salem, Qutaiba; Steimann, Manfred; Maichle-Mössmer, Cäcilia","1,3-Diisopropyl-4,5-dimethylimidazolium benzenesulfonate","Acta Crystallographica Section E","2011","67","8","o2205","","10.1107/S1600536811030236","","","0.71073","MoKα","","0.065","0.0482","","","0.0984","0.1047","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231391","8.056","0.002","8.931","0.003","14.204","0.003","92.312","0.001","95.418","0.002","105.481","0.002","978.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido{<i>N</i>'-[1-(2- oxidonaphthalen-1-yl-κ<i>O</i>)ethylidene]nicotinohydrazidato- κ^2^<i>N</i>',<i>O</i>}vanadium(V)","","- C20 H20 N3 O5 V -","- C20 H20 N3 O5 V -","- C40 H40 N6 O10 V2 -","2","1","HB6424","Chen-Yi Wang; Juan-Juan Hu; Hai-Yu Tu; Pei-Fei Zhu; Su-Jun Sheng","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido{<i>N</i>'-[1-(2-oxidonaphthalen-1-yl-κ<i>O</i>)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}vanadium(V)","Acta Crystallographica, Section E","2011","67","11","m1475","m1476","10.1107/S1600536811039766","","","0.71073","MoKα","","0.0502","0.0392","","","0.0949","0.1011","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231392","16.0752","0.0016","13.914","0.0014","12.645","0.0013","90","","90","","90","","2828.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","6-Methoxy-2-methyl-1-<i>m</i>-tolyl-1<i>H</i>-benzimidazole hemihydrate","","- C16 H17 N2 O1.5 -","- C16 H17 N2 O1.5 -","- C128 H136 N16 O12 -","8","1","AA2011","Fang, Xu-Bin; Fang, Lei; Liu, Xu-Ying","6-Methoxy-2-methyl-1-<i>m</i>-tolyl-1<i>H</i>-benzimidazole hemihydrate","Acta Crystallographica Section E","2011","67","9","o2263","","10.1107/S1600536811031060","","","0.71073","MoKα","","0.1008","0.0807","","","0.1455","0.1554","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231393","25.076","0.003","12.7715","0.0013","11.3825","0.0011","90","","110.307","0.001","90","","3418.8","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9-(4-Chlorophenyl)-4a-hydroxy-4,4a,5,6,9,9a-hexahydro-3<i>H</i>-xanthene- 1,8(2<i>H</i>,7<i>H</i>)-dione","","- C19 H19 Cl O4 -","- C19 H19 Cl O4 -","- C152 H152 Cl8 O32 -","8","1","AA2018","Yang, Yan; Lu, Weicheng; Lian, Chaomei; Zhu, Yulin","9-(4-Chlorophenyl)-4a-hydroxy-4,4a,5,6,9,9a-hexahydro-3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","9","o2386","","10.1107/S1600536811031977","","","0.71073","MoKα","","0.0756","0.0415","","","0.0948","0.1105","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231394","15.85","0.001","19.1896","0.0012","10.3285","0.0007","90","","91.724","0.001","90","","3140","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{<i>meso</i>-Tetrakis[<i>p</i>-(heptyloxy)phenyl]porphyrinato}silver(II)","","- C72 H84 Ag N4 O4 -","- C72 H84 Ag N4 O4 -","- C144 H168 Ag2 N8 O8 -","2","0.5","BG2416","Liao, Jun-Xu; Zhao, Hong-Bin; Yang, De-Liang; Chen, Liang; Wang, Bang-Ying","{<i>meso</i>-Tetrakis[<i>p</i>-(heptyloxy)phenyl]porphyrinato}silver(II)","Acta Crystallographica Section E","2011","67","9","m1316","","10.1107/S160053681103385X","","","0.71073","MoKα","","0.0509","0.0361","","","0.0832","0.0905","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231395","11.422","0.002","13.357","0.003","14.045","0.003","77.61","0.03","89.16","0.03","65.99","0.03","1905.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(1,10-phenanthroline)iron(II) μ-oxido-bis[trichloridoferrate(III)]","","- C36 H24 Cl6 Fe3 N6 O -","- C36 H24 Cl6 Fe3 N6 O -","- C72 H48 Cl12 Fe6 N12 O2 -","2","1","BG2417","Ling, Chun; Song, Li; Wang, Xinping","Tris(1,10-phenanthroline)iron(II) μ-oxido-bis[trichloridoferrate(III)]","Acta Crystallographica Section E","2011","67","9","m1232","m1233","10.1107/S1600536811031783","","","0.71075","MoKα","","0.1003","0.0504","","","0.1227","0.1723","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231396","18.653","0.003","11.2236","0.0016","15.51","0.002","90","","94.531","0.002","90","","3236.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-acetato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(acetato-κ^2^<i>O</i>,<i>O</i>')bis(5-nitro-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium]","","- C32 H26 Cd2 N6 O12 -","- C32 H26 Cd2 N6 O12 -","- C128 H104 Cd8 N24 O48 -","4","1","BG2418","Cui, Fenghua; Zhang, Shuxia","Di-μ-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')bis(5-nitro-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium]","Acta Crystallographica Section E","2011","67","9","m1247","","10.1107/S1600536811032259","","","0.71073","MoKα","","0.035","0.0248","","","0.052","0.0567","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231397","11.231","0.002","9.258","0.0019","10.868","0.002","90","","113.08","0.03","90","","1039.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(4-Bromo-2-nitrophenyl)-1,3,4-thiadiazol-2-amine","","- C8 H5 Br N4 O2 S -","- C8 H5 Br N4 O2 S -","- C32 H20 Br4 N16 O8 S4 -","4","1","BH2371","Zhang, Jian-qiang; He, Qiu; Jiang, Qianghua; Mu, Haipin; Wan, Rong","5-(4-Bromo-2-nitrophenyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2011","67","9","o2255","","10.1107/S1600536811030868","","","0.71073","MoKα","","0.0735","0.0488","","","0.0924","0.1038","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231398","12.531","0.0006","3.8887","0.0002","11.6042","0.0005","90","","113.139","0.002","90","","519.98","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Amino-3-hydroxy-pyridine","2-Aminopyridin-3-ol","","- C5 H6 N2 O -","- C5 H6 N2 O -","- C20 H24 N8 O4 -","4","1","BH2372","Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk","2-Aminopyridin-3-ol","Acta Crystallographica Section E","2011","67","9","o2513","","10.1107/S1600536811034775","","","0.71073","MoKα","","0.0475","0.0364","","","0.1114","0.1169","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231399","6.0131","0.0012","13.94","0.002","31.49","0.004","90","","92.007","0.006","90","","2638","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-{4-[(4-Methoxybenzylidene)amino]-3-phenyl-5-sulfanylidene-4,5-dihydro- 1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","","- C31 H26 N4 O2 S -","- C31 H26 N4 O2 S -","- C124 H104 N16 O8 S4 -","4","1","BH2374","Wang, Wei; Liu, Qing-lei; Gao, Yan; Jia, Xiao-yu; Zhang, Jing-jing","3-{4-[(4-Methoxybenzylidene)amino]-3-phenyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2011","67","9","o2534","","10.1107/S160053681103488X","","","0.71073","MoKα","","0.0829","0.0669","","","0.1489","0.1569","","","","","","1.16","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231400","12.1053","0.0012","12.4682","0.0012","15.548","0.0016","95.056","0.011","103.342","0.012","100.212","0.015","2226.7","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","3-{4-[(2-Hydroxybenzylidene)amino]-3-methyl-5-sulfanylidene-4,5-dihydro- 1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","","- C25 H22 N4 O2 S -","- C25 H22 N4 O2 S -","- C100 H88 N16 O8 S4 -","4","2","BH2375","Wang, Wei; Gao, Yan; Zhang, Jing-jing; Jia, Xiao-yu; Wu, Wen-peng","3-{4-[(2-Hydroxybenzylidene)amino]-3-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2011","67","9","o2533","","10.1107/S1600536811034878","","","0.71073","MoKα","","0.1003","0.0639","","","0.1275","0.1453","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231401","12.142","0.002","12.129","0.002","27.446","0.006","90","","99.387","0.002","90","","3987.9","1.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,1'-(2,5-Dimethylthiophene-3,4-diyl)diethanone","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C160 H192 O32 S16 -","16","4","BT5559","Li, Chengpeng; Qi, Qiaozheng; Wang, Sheng; Ding, Guohua","1,1'-(2,5-Dimethylthiophene-3,4-diyl)diethanone","Acta Crystallographica Section E","2011","67","9","o2219","","10.1107/S1600536811029710","","","0.71073","MoKα","","0.0758","0.0432","","","0.08","0.0915","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231402","7.4146","0.0017","20.19","0.005","13.361","0.003","90","","97.383","0.003","90","","1983.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Diaquabis[4-carboxy-5-carboxylato-2-(pyridin-1-ium-4-yl)- 1<i>H</i>-imidazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>^5^]cobalt(II)","","- C20 H16 Co N6 O10 -","- C20 H16 Co N6 O10 -","- C80 H64 Co4 N24 O40 -","4","0.5","BT5574","Sun, Lin; Huang, Yu Hua; Chen, Ting Ting; Deng, Hong","<i>trans</i>-Diaquabis[4-carboxy-5-carboxylato-2-(pyridin-1-ium-4-yl)-1<i>H</i>-imidazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>^5^]cobalt(II)","Acta Crystallographica Section E","2011","67","9","m1257","","10.1107/S1600536811032545","","","0.71073","MoKα","","0.0437","0.0347","","","0.0821","0.0877","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231403","12.625","0.003","13.411","0.004","16.996","0.002","90","","125.91","0.02","90","","2330.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(<i>N</i>,<i>N</i>'-dimethylethylenediammonium) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobaltate(II) dihydrate","","- C14 H32 Co N4 O14 -","- C14 H32 Co N4 O14 -","- C56 H128 Co4 N16 O56 -","4","1","BT5577","Gaye, Papa Aly; Sy, Adama; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal","Bis(<i>N</i>,<i>N</i>'-dimethylethylenediammonium) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobaltate(II) dihydrate: an ion-pair complex","Acta Crystallographica Section E","2011","67","9","m1269","","10.1107/S1600536811031357","","","0.7107","MoKα","","0.0627","0.0468","","","0.1222","0.1329","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231404","6.6248","0.0004","9.7172","0.0006","21.2083","0.0011","90","","90","","90","","1365.27","0.14","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3,4-Dibromo-2,5-dimethyl-1-phenylsulfonyl-1<i>H</i>-pyrrole","","- C12 H11 Br2 N O2 S -","- C12 H11 Br2 N O2 S -","- C48 H44 Br8 N4 O8 S4 -","4","1","BT5579","Kanchanadevi, J.; Anbalagan, G.; Sureshbabu, R.; Mohanakrishnan, A. K.; Manivannan, V.","3,4-Dibromo-2,5-dimethyl-1-phenylsulfonyl-1<i>H</i>-pyrrole","Acta Crystallographica Section E","2011","67","9","o2224","","10.1107/S1600536811030443","","","0.71073","MoKα","","0.0522","0.0343","","","0.0706","0.0753","","","","","","1.016","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2231405","8.6441","0.0002","11.1173","0.0003","13.3944","0.0003","101.23","0.009","107.522","0.011","106.591","0.01","1119.49","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)neodymium(III)] 2,6-diaminopurine disolvate","","- C34 H50 N12 Nd2 O16 -","- C34 H50 N12 Nd2 O16 -","- C34 H50 N12 Nd2 O16 -","1","0.5","BT5580","Atria, Ana María; Astete, Alan; Garland, Maria Teresa; Baggio, Ricardo","Di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)neodymium(III)] 2,6-diaminopurine disolvate","Acta Crystallographica Section E","2011","67","9","m1191","m1192","10.1107/S1600536811028558","","","0.71073","MoKα","","0.0258","0.0239","","","0.0593","0.0607","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231406","18.745","0.0002","18.745","0.0002","28.2531","0.0005","90","","90","","120","","8597.4","0.2","200","2","200","2","","","","","","","","6","P 61","P 61","169","","μ-Bromido-bis{μ-2,2'-[4,7-diazadecane-1,10- diylbis(nitrilomethanylylidene)]diphenolato}tricopper(II) bromide dimethylformamide disolvate","","- C50 H70 Br2 Cu3 N10 O6 -","- C50 H70 Br2 Cu3 N10 O6 -","- C300 H420 Br12 Cu18 N60 O36 -","6","1","BT5585","Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma","μ-Bromido-bis{μ-2,2'-[4,7-diazadecane-1,10-diylbis(nitrilomethanylylidene)]diphenolato}tricopper(II) bromide dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","9","m1197","m1198","10.1107/S160053681103090X","","","0.71073","MoKα","","0.0477","0.0302","","","0.0594","0.0619","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231407","23.8136","0.001","23.8136","0.001","12.624","0.0009","90","","90","","90","","7158.9","0.7","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,7,8,9,10,10-Hexachloro-4-(thiophen-2-ylmethyl)-4- azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C14 H7 Cl6 N O2 S -","- C14 H7 Cl6 N O2 S -","- C224 H112 Cl96 N16 O32 S16 -","16","1","BT5586","Manohar, R.; Harikrishna, M.; Ramanathan, C. R.; SureshKumar, M.; Gunasekaran, K.","1,7,8,9,10,10-Hexachloro-4-(thiophen-2-ylmethyl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","Acta Crystallographica Section E","2011","67","9","o2391","","10.1107/S1600536811032788","","","0.71073","MoKα","","0.0815","0.0371","","","0.068","0.0745","","","","","","0.821","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231408","17.48","0.0005","8.571","0.0004","9.865","0.0003","90","","90.451","0.004","90","","1477.94","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylidene]pyridine-3-carbohydrazide","","- C13 H9 I2 N3 O2 -","- C13 H9 I2 N3 O2 -","- C52 H36 I8 N12 O8 -","4","1","BT5587","Thirugnanasundar, A.; Suresh, J.; Ramu, A.; RajaGopal, G.","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylidene]pyridine-3-carbohydrazide","Acta Crystallographica Section E","2011","67","9","o2303","","10.1107/S160053681103176X","","","0.71073","MoKα","","0.0503","0.034","","","0.0942","0.1056","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231409","11.385","0.001","11.959","0.001","11.428","0.001","90","","112.87","0.02","90","","1433.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,4-Dichlorophenyl)-4-methylbenzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","BT5590","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,4-Dichlorophenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2252","","10.1107/S1600536811030819","","","0.71073","MoKα","","0.0456","0.0356","","","0.0975","0.1029","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231410","11.119","0.002","8.312","0.001","16.043","0.002","90","","97.27","0.01","90","","1470.8","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","<i>N</i>-(2,6-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","BT5591","Nirmala, P. G.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,6-Dimethylphenyl)-2,4-dimethylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2258","","10.1107/S1600536811031102","","","0.71073","MoKα","","0.0577","0.0432","","","0.1154","0.125","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231411","4.059","0.0005","11.7719","0.0013","21.608","0.002","90","","94.318","0.01","90","","1029.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-(bromoacetyl)-6-fluoro-2H-chromen-2-one","3-(2-Bromoacetyl)-6-fluoro-2<i>H</i>-chromen-2-one","","- C11 H6 Br F O3 -","- C11 H6 Br F O3 -","- C44 H24 Br4 F4 O12 -","4","1","BT5592","HarishKumar, H. N.; Mahapatra, Sudarshan; Venugopala, K. N.; Mahadevan, Kittappa Mariswamy","3-(2-Bromoacetyl)-6-fluoro-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","9","o2264","","10.1107/S1600536811030960","","","0.71073","MoKα","","0.0464","0.0293","","","0.0628","0.0647","","","","","","0.951","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231412","5.937","0.003","13.407","0.003","11.573","0.003","90","","95.87","0.04","90","","916.4","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(3-chloro-4-methylphenyl)-1,2,3,5-dithiadiazol-3-yl","","- C8 H6 Cl N2 S2 -","- C8 H6 Cl N2 S2 -","- C32 H24 Cl4 N8 S8 -","4","2","BT5594","Cole, Jacqueline M.; Aherne, Christine M.; Howard, Judith A. K.; Banister, Arthur J.; Waddell, Paul G.","The 4-(3-chloro-4-methylphenyl)-1,2,3,5-dithiadiazol-3-yl radical","Acta Crystallographica Section E","2011","67","9","o2514","","10.1107/S1600536811034751","","","0.71073","MoKα","","0.1071","0.0416","","","","0.0982","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231413","17.666","0.004","11.992","0.002","13.122","0.003","90","","120.96","0.03","90","","2383.8","1.1","223.15","","223.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')copper(II) ethane-1,2-diol monosolvate","","- C26 H22 Cu N4 O6 S -","- C26 H22 Cu N4 O6 S -","- C104 H88 Cu4 N16 O24 S4 -","4","1","BT5595","Zhong, Kai-Long","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) ethane-1,2-diol monosolvate","Acta Crystallographica Section E","2011","67","9","m1215","m1216","10.1107/S1600536811031175","","","0.71073","MoKα","","0.0417","0.0392","","","0.0995","0.1015","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231414","10.6648","0.0009","12.4441","0.0012","12.924","0.0012","61.359","0.01","69.064","0.01","68.772","0.01","1367.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[bis[[bis(3-aminopropyl)amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)cadmium]- μ~4~-sulfato-κ^4^<i>O</i>,<i>O</i>:<i>O</i>',<i>O</i>'] methanol hemisolvate]","","- C14.5 H36 Cd2 N8 O4.5 S3 -","- C14.5 H36 Cd2 N8 O4.5 S3 -","- C29 H72 Cd4 N16 O9 S6 -","2","1","BT5596","Boeckmann, Jan; Näther, Christian","<i>catena</i>-Poly[[bis[[bis(3-aminopropyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)cadmium]-μ~4~-sulfato-κ^4^<i>O</i>,<i>O</i>:<i>O</i>',<i>O</i>'] methanol hemisolvate]","Acta Crystallographica Section E","2011","67","9","m1201","m1202","10.1107/S1600536811031163","","","0.71073","MoKα","","0.0614","0.0424","","","0.1063","0.1133","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231415","9.8739","0.0005","9.6222","0.0004","13.3644","0.0006","90","","95.269","0.002","90","","1264.37","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1,3-Benzothiazol-2-yl)-6-ethoxyphenol","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","BT5597","Lakshmanan, D.; Raj, R. Madhan; Selvakumar, R.; Bakthadoss, M.; Murugavel, S.","2-(1,3-Benzothiazol-2-yl)-6-ethoxyphenol","Acta Crystallographica Section E","2011","67","9","o2259","","10.1107/S160053681103114X","","","0.71073","MoKα","","0.0744","0.0414","","","0.108","0.125","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231416","15.4471","0.0003","8.8103","0.0002","20.9374","0.0004","90","","95.077","0.002","90","","2838.27","0.1","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Di-<i>n</i>-butyl 4,4'-dihydroxy-3,3'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro- 1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}dibenzoate","","- C31 H42 N2 O6 -","- C31 H42 N2 O6 -","- C124 H168 N8 O24 -","4","0.5","BT5598","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","Di-<i>n</i>-butyl 4,4'-dihydroxy-3,3'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}dibenzoate","Acta Crystallographica Section E","2011","67","9","o2297","","10.1107/S1600536811031205","","","1.5418","CuKα","","0.0418","0.0355","","","0.0996","0.1044","","","","","","1.73","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231417","21.1526","0.0013","11.5723","0.0009","17.1484","0.0012","90","","130.843","0.004","90","","3175.5","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-(4-Chlorophenyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizine-5-carbaldehyde","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C160 H128 Cl8 N8 O8 -","8","1","BT5600","Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan","6-(4-Chlorophenyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizine-5-carbaldehyde","Acta Crystallographica Section E","2011","67","9","o2292","","10.1107/S1600536811031369","","","0.71073","MoKα","","0.0645","0.0399","","","0.1015","0.1171","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231418","8.9116","0.0003","6.7167","0.0003","20.6377","0.0008","90","","98.685","0.003","90","","1221.14","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Opipramolium fumarate","4-[3-(5<i>H</i>-Dibenz[<i>b</i>,<i>f</i>]azepin-5-yl)propyl]- 1-(2-hydroxyethyl)piperazin-1-ium (2<i>Z</i>)-3-carboxyprop-2-enoate","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","BT5601","Siddegowda, M. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Swamy, M. T.","Opipramolium fumarate","Acta Crystallographica Section E","2011","67","9","o2296","","10.1107/S160053681103159X","","","0.71073","MoKα","","0.0422","0.0378","","","0.0939","0.0965","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231419","5.2425","0.0004","8.7047","0.0006","9.437","0.0007","74.812","0.001","88.67","0.001","79.708","0.001","408.8","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4,6-Dihydroxy-4,6-dimethyl-1,3-diazinane-2-thione","","- C6 H12 N2 O2 S -","- C6 H12 N2 O2 S -","- C12 H24 N4 O4 S2 -","2","1","BT5602","Aliyeva, Khatira N.; Maharramov, Abel M.; Allahverdiyev, Mirze A.; Gurbanov, Atash V.; Brito, Iván","4,6-Dihydroxy-4,6-dimethyl-1,3-diazinane-2-thione","Acta Crystallographica Section E","2011","67","9","o2293","","10.1107/S160053681103145X","","","0.71073","MoKα","","0.0331","0.0286","","","0.0768","0.0801","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231420","9.8296","0.001","6.2879","0.0006","21.34","0.002","90","","90.788","0.002","90","","1318.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeinium bisulfate monohydrate","1,3,7-trimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium hydrogen sulfate monohydrate","","- C8 H14 N4 O7 S -","- C8 H14 N4 O7 S -","- C32 H56 N16 O28 S4 -","4","1","BT5603","Jerin, C. Vincent; Athimoolam, S.","Caffeinium bisulfate monohydrate","Acta Crystallographica Section E","2011","67","9","o2290","","10.1107/S1600536811031540","","","0.71073","MoKα","","0.0405","0.0392","","","0.1096","0.111","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231421","8.6788","0.0005","11.2461","0.0005","17.9778","0.001","90","","90","","90","","1754.68","0.16","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Bis(morpholin-4-yl)-6-phenoxy-1,3,5-triazine","","- C17 H21 N5 O3 -","- C17 H21 N5 O3 -","- C68 H84 N20 O12 -","4","1","BT5604","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","2,4-Bis(morpholin-4-yl)-6-phenoxy-1,3,5-triazine","Acta Crystallographica Section E","2011","67","9","o2451","","10.1107/S1600536811034088","","","0.71073","MoKα","","0.0542","0.041","","","0.1054","0.1154","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231422","5.648","0.0002","10.9077","0.0005","12.4762","0.0008","70.999","0.005","89.533","0.004","75.783","0.004","702.31","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one","","- C17 H20 O2 -","- C17 H20 O2 -","- C34 H40 O4 -","2","1","BT5605","Zonouzi, Afsaneh; Izakiana, Zakieh; Ng, Seik Weng","(<i>E</i>)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2337","","10.1107/S160053681103220X","","","0.71073","MoKα","","0.0577","0.0453","","","0.1092","0.1203","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231423","7.7403","0.0002","4.0012","0.0001","23.2672","0.0005","90","","98.81","0.002","90","","712.09","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Bromobenzaldehyde oxime","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","BT5606","Zonouzi, Afsaneh; Mirzazadeh, Roghieh; Ng, Seik Weng","(<i>E</i>)-2-Bromobenzaldehyde oxime","Acta Crystallographica Section E","2011","67","9","o2338","","10.1107/S1600536811032211","","","1.54184","CuKα","","0.0217","0.0216","","","0.0592","0.0593","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231424","11.295","0.004","10.482","0.004","11.961","0.004","90","","110.387","0.011","90","","1327.4","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9-Benzyl-δ-carboline","5-Benzyl-5<i>H</i>-pyrido[3,2-<i>b</i>]indole","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","BT5607","Letessier, Julien; Schollmeyer, Dieter; Detert, Heiner","5-Benzyl-5<i>H</i>-pyrido[3,2-<i>b</i>]indole","Acta Crystallographica Section E","2011","67","9","o2341","","10.1107/S1600536811032107","","","0.71073","MoKα","","0.1556","0.0546","","","0.1124","0.1487","","","","","","0.978","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231425","16.0207","0.0004","9.2002","0.0002","13.06","0.0003","90","","112.855","0.003","90","","1773.83","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[(Indan-1-ylidene)amino]ethanol","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","BT5608","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng","2-[(Indan-1-ylidene)amino]ethanol","Acta Crystallographica Section E","2011","67","9","o2425","","10.1107/S1600536811032843","","","1.54184","CuKα","","0.0403","0.0371","","","0.0951","0.0988","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231426","28.2545","0.0008","11.9135","0.0004","9.3739","0.0003","90","","91.016","0.003","90","","3154.85","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(3-Methyl-5-phenyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C128 H120 N24 O16 S8 -","8","1","BT5609","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Basaif, Salem A.; Ng, Seik Weng","4-(3-Methyl-5-phenyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2426","","10.1107/S1600536811032855","","","1.54184","CuKα","","0.0486","0.0407","","","0.1075","0.1146","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231427","7.9649","0.0001","11.7827","0.0002","12.272","0.0002","90","","91.72","0.001","90","","1151.18","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","","- C11 H13 N3 O2 S -","- C11 H13 N3 O2 S -","- C44 H52 N12 O8 S4 -","4","1","BT5610","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Ng, Seik Weng","4-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2427","","10.1107/S1600536811032867","","","1.54184","CuKα","","0.0321","0.0312","","","0.0827","0.0834","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231428","13.6794","0.0004","13.4304","0.0004","7.3678","0.0002","90","","91.055","0.003","90","","1353.38","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(5-Oxo-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","","- C15 H13 N3 O3 S -","- C15 H13 N3 O3 S -","- C60 H52 N12 O12 S4 -","4","1","BT5611","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng","4-(5-Oxo-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2428","","10.1107/S1600536811032879","","","1.54184","CuKα","","0.0457","0.0414","","","0.1163","0.1214","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231429","6.1022","0.0006","7.0806","0.0008","11.0425","0.0013","72.582","0.011","76.116","0.01","75.64","0.009","433.87","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-Sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one","","- C8 H6 N2 O S2 -","- C8 H6 N2 O S2 -","- C16 H12 N4 O2 S4 -","2","1","BT5612","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Sobahi, Tarik R.; Ng, Seik Weng","(<i>Z</i>)-2-Sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one","Acta Crystallographica Section E","2011","67","9","o2429","","10.1107/S1600536811033034","","","1.54184","CuKα","","0.0466","0.0431","","","0.1176","0.1224","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231430","9.7072","0.0004","10.4928","0.0005","11.8828","0.0005","82.245","0.004","84.263","0.003","63.671","0.004","1073.76","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Benzoyl-3-[3-cyano-8-methyl-4-(1-methyl-1<i>H</i>-pyrrol-2-yl)- 5,6,7,8-tetrahydroquinolin-2-yl]thiourea","","- C24 H23 N5 O S -","- C24 H23 N5 O S -","- C48 H46 N10 O2 S2 -","2","1","BT5613","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Ng, Seik Weng","1-Benzoyl-3-[3-cyano-8-methyl-4-(1-methyl-1<i>H</i>-pyrrol-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]thiourea","Acta Crystallographica Section E","2011","67","9","o2430","","10.1107/S1600536811033046","","","1.54184","CuKα","","0.0551","0.0522","","","0.1424","0.1455","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231431","4.8838","0.0001","27.3894","0.0004","12.2399","0.0002","90","","94.738","0.001","90","","1631.67","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(3-Methyl-4,5-dihydro-1<i>H</i>-benzo[<i>g</i>]indazol-1-yl)benzenesulfonamide","","- C18 H17 N3 O2 S -","- C18 H17 N3 O2 S -","- C72 H68 N12 O8 S4 -","4","1","BT5614","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Makki, Mohamad S. I. T.; Ng, Seik Weng","4-(3-Methyl-4,5-dihydro-1<i>H</i>-benzo[<i>g</i>]indazol-1-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2441","","10.1107/S1600536811033186","","","1.54184","CuKα","","0.0693","0.0684","","","0.1833","0.1839","","","","","","1.107","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231432","5.0491","0.0005","13.5803","0.0015","13.5803","0.0015","89.866","0.002","88.863","0.001","88.863","0.001","930.81","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(2,3-dimethoxybenzylidene)ethane-1,2-diamine","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","BT5615","Xue, Hua; Li, Wenjuan; Han, Hongfei","<i>N</i>,<i>N</i>'-Bis(2,3-dimethoxybenzylidene)ethane-1,2-diamine","Acta Crystallographica Section E","2011","67","9","o2431","","10.1107/S1600536811033423","","","0.71073","MoKα","","0.1106","0.0619","","","0.1506","0.1838","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231433","12.7042","0.0015","7.4882","0.0007","13.177","0.002","90","","107.787","0.014","90","","1193.6","0.3","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","9,9-Dimethyl-9,10-dihydroanthracene","","- C16 H16 -","- C16 H16 -","- C64 H64 -","4","1","BT5616","Siddaraju, B. P.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Raju, C. R.","9,9-Dimethyl-9,10-dihydroanthracene","Acta Crystallographica Section E","2011","67","9","o2397","","10.1107/S1600536811033526","","","0.71073","MoKα","","0.0599","0.0496","","","0.1333","0.1435","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231434","9.1","0.0006","5.4032","0.0003","10.4515","0.0007","90","","108.139","0.007","90","","488.35","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Hydroxy-3-phenyl-5-trifluoromethyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C20 H18 F6 N4 O2 -","2","1","BT5617","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng","5-Hydroxy-3-phenyl-5-trifluoromethyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","9","o2442","","10.1107/S160053681103368X","","","0.71073","MoKα","","0.0474","0.0365","","","0.0808","0.0866","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231435","5.5831","0.0003","9.3939","0.0004","12.9202","0.0005","90","","95.342","0.004","90","","674.68","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Bis[1-(thiophen-2-yl)ethylidene]ethane-1,2-diamine","","- C14 H16 N2 S2 -","- C14 H16 N2 S2 -","- C28 H32 N4 S4 -","2","0.5","BT5618","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng","<i>N</i>,<i>N</i>'-Bis[1-(thiophen-2-yl)ethylidene]ethane-1,2-diamine","Acta Crystallographica Section E","2011","67","9","o2465","","10.1107/S1600536811033691","","","0.71073","MoKα","","0.0503","0.0346","","","0.0797","0.0901","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231436","12.0667","0.0005","11.0576","0.0004","7.3003","0.0003","90","","100.469","0.004","90","","957.85","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Methyl-5-(thiophen-2-ylmethylidene)cyclopentan-1-one","","- C11 H12 O S -","- C10.999 H12 O S -","- C43.996 H48 O4 S4 -","4","1","BT5619","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng","(<i>E</i>)-2-Methyl-5-(thiophen-2-ylmethylidene)cyclopentan-1-one","Acta Crystallographica Section E","2011","67","9","o2443","","10.1107/S1600536811033708","","","0.71073","MoKα","","0.0513","0.0409","","","0.0962","0.1044","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231437","6.1778","0.0002","12.7158","0.0004","17.7125","0.0007","90","","96.784","0.004","90","","1381.68","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>t</i>-butylaminium hydrogen 4,5-dichlorophthalate","<i>tert</i>-Butylaminium 2-carboxy-4,5-dichlorobenzoate","","- C12 H15 Cl2 N O4 -","- C12 H15 Cl2 N O4 -","- C48 H60 Cl8 N4 O16 -","4","1","BT5620","Smith, Graham; Wermuth, Urs D.","<i>tert</i>-Butylaminium 2-carboxy-4,5-dichlorobenzoate","Acta Crystallographica Section E","2011","67","9","o2461","","10.1107/S1600536811034131","","","0.71073","MoKα","","0.0408","0.0329","","","0.0886","0.0943","","","","","","0.904","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231438","26.4133","0.0016","7.6598","0.0004","18.0332","0.0011","90","","91.417","0.002","90","","3647.4","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diiodo-6-{[4-(morpholin-4-yl)phenyl]iminomethyl}phenol","","- C17 H16 I2 N2 O2 -","- C17 H16 I2 N2 O2 -","- C136 H128 I16 N16 O16 -","8","1","BT5621","Manvizhi, K.; Chakkaravarthi, G.; Anbalagan, G.; Rajagopal, G.","2,4-Diiodo-6-{[4-(morpholin-4-yl)phenyl]iminomethyl}phenol","Acta Crystallographica Section E","2011","67","9","o2500","","10.1107/S1600536811034519","","","0.71073","MoKα","","0.093","0.056","","","0.1031","0.1131","","","","","","1.163","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231439","8.1723","0.0003","19.3923","0.0007","9.317","0.0003","90","","111.781","0.004","90","","1371.14","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,3-Dimethylphenyl)-4-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","BT5622","Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(2,3-Dimethylphenyl)-4-methylbenzamide","Acta Crystallographica Section E","2011","67","9","o2463","","10.1107/S1600536811034490","","","0.71073","MoKα","","0.0918","0.0419","","","0.1137","0.1263","","","","","","0.933","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231440","8.9451","0.0012","11.5412","0.0007","15.0477","0.0017","90","","105.871","0.012","90","","1494.3","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(9<i>H</i>-Carbazol-9-yl)-2<i>H</i>-chromen-2-one","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C84 H52 N4 O8 -","4","1","BT5627","Letessier, Julien; Schollmeyer, Dieter; Detert, Heiner","3-(9<i>H</i>-Carbazol-9-yl)-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","9","o2494","","10.1107/S1600536811034660","","","1.54178","CuKα","","0.0659","0.0478","","","0.1285","0.1424","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231441","10.623","0.006","9.106","0.005","16.64","0.005","90","","97.446","0.006","90","","1596.1","1.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methoxy-2-{[4-(morpholin-4-yl)phenyl]iminomethyl}phenol","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","BT5628","Dhahagani, K.; Manvizhi, K.; Chakkaravarthi, G.; Anbalagan, G.; Rajagopal, G.","5-Methoxy-2-{[4-(morpholin-4-yl)phenyl]iminomethyl}phenol","Acta Crystallographica Section E","2011","67","9","o2501","","10.1107/S1600536811034659","","","0.71073","MoKα","","0.1185","0.0655","","","0.1706","0.2036","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231442","8.9128","0.0014","12.414","0.002","13.443","0.002","79.784","0.002","72.981","0.003","88.503","0.003","1399.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-hydroxy-2-methoxycarbonylmethyl-1,1-dioxo-1,2-dihydro-1λ^6^,2-benzothiazine-3-carboxylate","","- C13 H13 N O7 S -","- C13 H13 N O7 S -","- C52 H52 N4 O28 S4 -","4","2","BT5629","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Ahmad, Sheikh Asrar; Rafique, H. M.","Methyl 4-hydroxy-2-methoxycarbonylmethyl-1,1-dioxo-1,2-dihydro-1λ^6^,2-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2011","67","9","o2527","","10.1107/S1600536811034921","","","0.71073","MoKα","","0.0433","0.0395","","","0.1047","0.1072","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231443","8.9721","0.0002","10.4086","0.0002","12.5189","0.0003","90","","101.646","0.002","90","","1145.03","0.04","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","Tramadol hydrochloride-Benzoic acid (1/1)","[2-hydroxy-2-(3-methoxyphenyl)cyclohexylmethyl]dimethylazanium chloride; benzoic acid","","- C23 H32 Cl N O4 -","- C23 H32 Cl N O4 -","- C46 H64 Cl2 N2 O8 -","2","1","BV2189","Siddaraju, B. P.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Raju, C. R.","Tramadol hydrochloride‒benzoic acid (1/1)","Acta Crystallographica Section E","2011","67","9","o2351","","10.1107/S1600536811032181","","","0.71073","MoKα","","0.0308","0.0285","","","0.0751","0.0771","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231444","10.9068","0.0003","7.9851","0.0002","30.2131","0.0007","90","","90","","90","","2631.32","0.12","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>,4<i>E</i>)-1-(2-Hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","BX2361","Silva, W. A.; Gatto, C. C.; Oliveira, G. R.","(2<i>E</i>,4<i>E</i>)-1-(2-Hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one","Acta Crystallographica Section E","2011","67","9","o2210","","10.1107/S160053681103025X","","","0.71073","MoKα","","0.1072","0.0501","","","0.11","0.134","","","","","","1.005","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2231445","8.6376","0.0008","9.9719","0.0008","12.0616","0.0011","110.97","0.008","103.252","0.008","99.663","0.007","907.87","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 6-amino-8-(4-chlorophenyl)-9-nitro-2,3,4,8- tetrahydropyrido[2,1-<i>b</i>][1,3]thiazine-7-carboxylate","","- C17 H18 Cl N3 O4 S -","- C17 H18 Cl N3 O4 S -","- C34 H36 Cl2 N6 O8 S2 -","2","1","BX2362","Zhang, Na; Zhang, Xian; Li, Dongmei","Ethyl 6-amino-8-(4-chlorophenyl)-9-nitro-2,3,4,8-tetrahydropyrido[2,1-<i>b</i>][1,3]thiazine-7-carboxylate","Acta Crystallographica Section E","2011","67","9","o2352","","10.1107/S1600536811032193","","","0.71073","MoKα","","0.0627","0.046","","","0.1058","0.1189","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231446","9.8633","0.0006","19.0429","0.0014","7.672","0.0007","90","","90","","90","","1441","0.19","119.7","","120","","","","","","","","","4","A b a 2","A 2 -2ab","41","2,9-Dichloro-6<i>H</i>,13<i>H</i>-5:12,7:14- dimethanodibenzo[<i>d</i>,<i>i</i>][1,3,6,8]tetraazecine","4,13-dichloro-1,8,10,17-tetraazapentacyclo[8.8.1.1^8,17^.0^2,7^.0^11,16^]icosa- 2,4,6,11(16),12,14-hexaene","","- C16 H14 Cl2 N4 -","- C16 H14 Cl2 N4 -","- C64 H56 Cl8 N16 -","4","","BX2366","Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","2,9-Dichloro-6<i>H</i>,13<i>H</i>-5:12,7:14-dimethanodibenzo[<i>d</i>,<i>i</i>][1,3,6,8]tetraazecine","Acta Crystallographica Section E","2011","67","9","o2395","","10.1107/S1600536811033721","","","1.5418","CuKα","","0.0389","0.0359","","","0.0912","0.0952","","","","","","1.33","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231447","12.154","0.002","9.4509","0.0018","17.471","0.003","90","","118.133","0.009","90","","1769.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Biphenyl-4-ylcarbonyl)-3-(4-nitrophenyl)thiourea","","- C20 H15 N3 O3 S -","- C20 H15 N3 O3 S -","- C80 H60 N12 O12 S4 -","4","1","BX2367","Yusof, M. Sukeri M.; Wong, Sze Ting; Yamin, Bohari M.","1-(Biphenyl-4-ylcarbonyl)-3-(4-nitrophenyl)thiourea","Acta Crystallographica Section E","2011","67","9","o2483","","10.1107/S160053681103426X","","","0.71073","MoKα","","0.0905","0.0601","","","0.1238","0.143","","","","","","0.879","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231448","10.3669","0.0003","10.4342","0.0003","15.078","0.0005","90","","92.751","0.002","90","","1629.11","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate‒ 2-amino-6-methylpyrimidin-4(1<i>H</i>)-one‒water (1/1/1)","","- C10 H17 Cl N6 O7 -","- C10 H17 Cl N6 O7 -","- C40 H68 Cl4 N24 O28 -","4","1","BX2369","Kaabi, Kamel; El Glaoui, Maher; Ferretti, Valeria; Zeller, Matthias; Ben Nasr, Cherif","2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate‒2-amino-6-methylpyrimidin-4(1<i>H</i>)-one‒water (1/1/1)","Acta Crystallographica Section E","2011","67","9","o2507","o2508","10.1107/S1600536811034106","","","0.71073","MoKα","","0.109","0.059","","","0.1542","0.1839","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231449","18.6024","0.0007","8.0489","0.0003","17.086","0.0006","90","","106.426","0.002","90","","2453.85","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Benzyl-2,5-diphenyl-3-tosylimidazolidin-4-one","1-Benzyl-3-(4-methylphenylsulfonyl)-2,5-diphenylimidazolidin-4-one","","- C29 H26 N2 O3 S -","- C29 H26 N2 O3 S -","- C116 H104 N8 O12 S4 -","4","1","CI5194","Sakthimurugesan, K.; Ranjith, S.; SubbiahPandi, A.; Namitharan, K.; Pitchumani, K.","1-Benzyl-2,5-diphenyl-3-tosylimidazolidin-4-one","Acta Crystallographica Section E","2011","67","9","o2359","","10.1107/S1600536811032284","","","0.71073","MoKα","","0.0578","0.0391","","","0.1017","0.1147","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231450","10.9534","0.0004","9.3777","0.0003","25.069","0.0008","90","","101.233","0.002","90","","2525.7","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl [benzylamino(1,3-diphenyl-1<i>H</i>-pyrazol-4- yl)methyl]phosphonate","","- C27 H30 N3 O3 P -","- C27 H30 N3 O3 P -","- C108 H120 N12 O12 P4 -","4","1","CI5195","Jagadeesan, G.; Suresh, G.; Nandakumar, B.; Perumal, P. T.; Aravindhan, S.","Diethyl [benzylamino(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]phosphonate","Acta Crystallographica Section E","2011","67","9","o2376","","10.1107/S1600536811032776","","","0.71073","MoKα","","0.0789","0.0452","","","0.1039","0.1242","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231451","9.835","0.003","12.851","0.002","16.226","0.003","90","","90","","90","","2050.8","0.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis{4-bromo-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate","","- C18 H20 Br2 N2 Ni O5 -","- C18 H20 Br2 N2 Ni O5 -","- C72 H80 Br8 N8 Ni4 O20 -","4","1","CI5196","Wang, Chen-Yi; Li, Jing-Fen; Wang, Ping; Yuan, Cai-Jun","Bis{4-bromo-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate","Acta Crystallographica Section E","2011","67","9","m1227","m1228","10.1107/S1600536811031771","","","0.71073","MoKα","","0.1554","0.0484","","","0.0924","0.1278","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231452","19.8766","0.0008","6.9914","0.0003","13.2603","0.0006","90","","107.735","0.004","90","","1755.15","0.14","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(Biphenyl-4-yl)-3-(3-methoxybenzylidene)furan-2(3<i>H</i>)-one","","- C24 H18 O3 -","- C24 H18 O3 -","- C96 H72 O12 -","4","1","CI5197","Jasinski, Jerry P.; Golen, James A.; Dayananda, A. S.; Yathirajan, H. S.; Mishra, Ravinesh","5-(Biphenyl-4-yl)-3-(3-methoxybenzylidene)furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","9","o2294","o2295","10.1107/S1600536811031588","","","0.71073","MoKα","","0.0707","0.0484","","","0.1271","0.1433","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231453","24.445","0.002","8.4683","0.0008","13.1204","0.0012","90","","118.56","0.001","90","","2385.5","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-[2-(2-Hydroxybenzoyl)hydrazinylidene]pentanoic acid","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","1","CV5127","Qiao, Yanling; Cui, Jichun; Pan, Zhaoling; Liu, Peipei; Yin, Handong","(<i>E</i>)-4-[2-(2-Hydroxybenzoyl)hydrazinylidene]pentanoic acid","Acta Crystallographica Section E","2011","67","9","o2415","","10.1107/S1600536811033988","","","0.71073","MoKα","","0.1217","0.048","","","0.0886","0.1142","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231454","22.682","0.002","18.1736","0.0015","9.1557","0.0008","90","","109.678","0.007","90","","3553.7","0.6","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(3-Propylsulfanyl-5-<i>p</i>-tolyl-4<i>H</i>-1,2,4-triazol-4- yl)iminomethyl]phenol","","- C19 H20 N4 O S -","- C19 H20 N4 O S -","- C152 H160 N32 O8 S8 -","8","1","CV5131","Wang, Wei; Liu, Qing-lei; Xu, Chao; Wu, Wen-peng; Gao, Yan","2-[(3-Propylsulfanyl-5-<i>p</i>-tolyl-4<i>H</i>-1,2,4-triazol-4-yl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","9","o2236","","10.1107/S1600536811029849","","","0.71073","MoKα","","0.0677","0.0591","","","0.1179","0.1224","","","","","","1.141","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231455","11.0261","0.001","11.9624","0.0011","24.961","0.002","90","","97.842","0.001","90","","3261.5","0.5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Phenyl 3-methoxy-4-phenoxybenzoate","","- C20 H16 O4 -","- C20 H16 O4 -","- C160 H128 O32 -","8","1","CV5133","Zhou, Jing; Zheng, Shuai; Chen, Gang; Wang, Wenjing; Du, Zhenting","Phenyl 3-methoxy-4-phenoxybenzoate","Acta Crystallographica Section E","2011","67","9","o2393","","10.1107/S1600536811033678","","","0.71073","MoKα","","0.0803","0.0409","","","0.0927","0.1179","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231456","5.9465","0.0015","11.214","0.003","17.17","0.004","82.804","0.003","81.062","0.003","76.927","0.003","1096.9","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,2'-[(1<i>E</i>)-3-Phenylprop-2-ene-1,1-diyl]bis(3-hydroxy-5,5- dimethylcyclohex-2-en-1-one)","","- C25 H30 O4 -","- C25 H30 O4 -","- C50 H60 O8 -","2","1","CV5137","Zhu, Yu-Lin; Xiao, Guo-Lan; Chen, Yan-Fen; Chen, Rui-Ting; Zhou, Ying","2,2'-[(1<i>E</i>)-3-Phenylprop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2011","67","9","o2398","","10.1107/S1600536811033745","","","0.71073","MoKα","","0.0811","0.0711","","","0.1473","0.1535","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231457","13.2737","0.0012","7.1066","0.0004","11.9233","0.001","90","","103.917","0.007","90","","1091.72","0.15","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Phenyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>- pyrrolo[2,1-<i>c</i>][1,4]oxazin-6-one","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","CV5138","Małecka, Magdalena; Pasternak, Beata; Leśniak, Stanisław","8-Phenyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]oxazin-6-one","Acta Crystallographica Section E","2011","67","9","o2390","","10.1107/S1600536811032806","","","0.71073","MoKα","","0.1","0.0466","","","0.0959","0.1094","","","","","","0.812","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231458","9.0991","0.001","11.8026","0.0015","12.0649","0.0016","70.92","0.01","73.042","0.012","85.883","0.013","1170.9","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","3-[3-Methyl-4-(3-nitrobenzylideneamino)-5-sulfanylidene-4,5-dihydro-1<i>H</i>- 1,2,4-triazol-1-yl]-1,3-diphenylpropan-1-one","","- C25 H21 N5 O3 S -","- C25 H21 N5 O3 S -","- C50 H42 N10 O6 S2 -","2","1","CV5140","Gao, Yan; Dong, Yan","3-[3-Methyl-4-(3-nitrobenzylideneamino)-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl]-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2011","67","9","o2482","","10.1107/S1600536811033587","","","0.71073","MoKα","","0.0441","0.0343","","","0.0874","0.0903","","","","","","0.978","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231459","8.0901","0.0003","11.2278","0.0004","12.1356","0.0004","93.805","0.002","104.566","0.001","98.971","0.001","1047.4","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[(diaquastrontium)-bis(μ-2-methyl-3,5-dinitrobenzoato)]","","- C16 H14 N4 O14 Sr -","- C16 H14 N4 O14 Sr -","- C32 H28 N8 O28 Sr2 -","2","1","DN2710","Danish, Muhammad; Tahir, M. Nawaz; Ahmad, Nazir; Nisa, Mehwish; Saleem, Iram","<i>catena</i>-Poly[(diaquastrontium)-bis(μ-2-methyl-3,5-dinitrobenzoato)]","Acta Crystallographica Section E","2011","67","9","m1302","","10.1107/S1600536811033769","","","0.71073","MoKα","","0.026","0.0229","","","0.0556","0.0568","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231460","5.4853","0.0003","8.145","0.0011","41.162","0.004","90","","90","","90","","1839","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenyl [(<i>S</i>)-1-phenylpropanamido]phosphate","","- C21 H22 N O3 P -","- C21 H22 N O3 P -","- C84 H88 N4 O12 P4 -","4","1","DN2713","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Negari, Monireh; Nečas, Marek","Diphenyl [(<i>S</i>)-1-phenylpropanamido]phosphate","Acta Crystallographica Section E","2011","67","9","o2512","","10.1107/S1600536811034507","","","0.71073","MoKα","","0.0675","0.0521","","","0.0864","0.0892","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231461","13.3797","0.0004","15.7975","0.0005","12.9998","0.0004","90","","90","","90","","2747.71","0.15","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[(<i>E</i>)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate","","- C12 H16 Cl N5 O3 -","- C12 H16 Cl N5 O3 -","- C96 H128 Cl8 N40 O24 -","8","1","DN2714","Booysen, Irvin; Ismail, Muhammed; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-[(<i>E</i>)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium chloride monohydrate","Acta Crystallographica Section E","2011","67","9","o2436","o2437","10.1107/S1600536811033307","","","0.71073","MoKα","","0.0743","0.0424","","","0.098","0.1108","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231462","7.6386","0.0008","8.887","0.0006","10.8691","0.0008","78.186","0.006","76.155","0.007","82.75","0.007","698.91","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Methyl 3,5-dibromo-2-diacetylaminobenzoate","","- C12 H11 Br2 N O4 -","- C12 H11 Br2 N O4 -","- C24 H22 Br4 N2 O8 -","2","1","DN2715","Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Yathirajan, H. S.; Narayana, B.","Methyl 3,5-dibromo-2-diacetylaminobenzoate","Acta Crystallographica Section E","2011","67","9","o2503","","10.1107/S1600536811034568","","","0.71073","MoKα","","0.0527","0.0329","","","0.0632","0.0701","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231463","14.5359","0.0011","14.7543","0.0011","39.771","0.003","90","","97.616","0.002","90","","8454.3","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","6,7,6',7'-Tetraphenyl-2,2'-bi[1,3-dithia-5,8- diazacyclopenta[<i>b</i>]naphthalenylidene] chloroform disolvate","2-{6,7-dimethyl-2<i>H</i>-[1,3]dithiolo[4,5-<i>g</i>]quinoxalin-2-ylidene}- 6,7-dimethyl-2<i>H</i>-[1,3]dithiolo[4,5-<i>g</i>]quinoxaline","","- C44 H26 Cl6 N4 S4 -","- C44 H26 Cl6 N4 S4 -","- C352 H208 Cl48 N32 S32 -","8","2","DS2113","Bolligarla, Ramababu; Durgaprasad, Gummadi; Das, Samar K.","6,7,6',7'-Tetraphenyl-2,2'-bi[1,3-dithia-5,8-diazacyclopenta[<i>b</i>]naphthalenylidene] chloroform disolvate","Acta Crystallographica Section E","2011","67","9","o2231","o2232","10.1107/S1600536811029540","","","0.71073","MoKα","","0.0436","0.0422","","","0.1076","0.1085","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231464","14.6595","0.0005","4.6567","0.0002","26.5281","0.0008","90","","101.408","0.002","90","","1775.16","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-dioxoisoindolin-2-yl)acetic acid‒ 1,3,7-trimethyl-1,2,3,6-tetrahydro-7<i>H</i>-purine-2,6-dione (1/1)","","- C18 H17 N5 O6 -","- C18 H17 N5 O6 -","- C72 H68 N20 O24 -","4","1","DS2126","Bhatti, Moazzam H.; Yunus, Uzma; Saeed, Sohail; Shah, Syed Raza; Wong, Wing-Tak","The 1:1 adduct of caffeine and 2-(1,3-dioxoisoindolin-2-yl)acetic acid","Acta Crystallographica Section E","2011","67","9","o2240","","10.1107/S1600536811030182","","","0.71073","MoKα","","0.0737","0.0442","","","0.1115","0.1298","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231465","24.8881","0.0002","5.8701","0.0003","10.0789","0.0002","90","","90.442","0.003","90","","1472.44","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Diaquabis(DL-valinato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","","- C10 H22 N2 Ni O6 -","- C10 H22 N2 Ni O6 -","- C40 H88 N8 Ni4 O24 -","4","0.5","DS2128","Messai, Amel; Benali-Cherif, Rim; Jeanneau, Erwann; Benali-Cherif, Nourredine","<i>trans</i>-Diaquabis(<small>DL</small>-valinato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","Acta Crystallographica Section E","2011","67","9","m1204","","10.1107/S1600536811031072","","","0.71073","MoKα","","0.0662","0.0531","","","0.1449","0.1507","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231466","12.21","0.001","4.9111","0.0005","27.078","0.003","90","","93.104","0.009","90","","1621.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Chlorophenyl)-<i>N</i>'-(3-methylphenyl)succinamide monohydrate","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","1","DS2132","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chlorophenyl)-<i>N</i>'-(3-methylphenyl)succinamide monohydrate","Acta Crystallographica Section E","2011","67","9","o2418","","10.1107/S1600536811032685","","","0.71073","MoKα","","0.1017","0.0531","","","0.1086","0.1274","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231467","17.305","0.003","4.8446","0.0006","9.726","0.001","90","","101.58","0.02","90","","798.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)-<i>N</i>'-(4-methylphenyl)succinamide","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C34 H34 Cl2 N4 O4 -","2","0.5","DS2134","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chlorophenyl)-<i>N</i>'-(4-methylphenyl)succinamide","Acta Crystallographica Section E","2011","67","9","o2419","","10.1107/S1600536811032740","","","0.71073","MoKα","","0.0658","0.048","","","0.118","0.1313","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231468","8.442","0.003","9.548","0.004","12.098","0.005","90","","107.085","0.005","90","","932.1","0.6","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,4'-(Cyclohexane-1,1-diyl)dianilinium dichloride monohydrate","","- C18 H26 Cl2 N2 O -","- C18 H26 Cl2 N2 O -","- C36 H52 Cl4 N4 O2 -","2","0.5","FF2022","Qian, Hui-Fen; Huang, Wei","4,4'-(Cyclohexane-1,1-diyl)dianilinium dichloride monohydrate","Acta Crystallographica Section E","2011","67","9","o2420","","10.1107/S1600536811032995","","","0.71073","MoKα","","0.0905","0.0653","","","0.1892","0.2124","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231469","9.5917","0.0007","25.8793","0.0019","9.6648","0.0007","90","","111.526","0.001","90","","2231.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[bis(diphenylphosphinoyl)acetonitrile-κ^2^<i>O</i>,<i>O</i>']copper(II)","","- C52 H40 Cu N2 O4 P4 -","- C52 H40 Cu N2 O4 P4 -","- C104 H80 Cu2 N4 O8 P8 -","2","0.5","FF2023","Sithole, Sicelo V.; Staples, Richard J.; Van Zyl, Werner E.","Bis[bis(diphenylphosphinoyl)acetonitrile-κ^2^<i>O</i>,<i>O</i>']copper(II)","Acta Crystallographica Section E","2011","67","9","m1217","","10.1107/S1600536811031564","","","0.71073","MoKα","","0.0409","0.0328","","","0.0816","0.0862","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231470","5.322","0.002","27.521","0.011","10.065","0.004","90","","100.831","0.005","90","","1447.9","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1,3-Dithiolan-2-ylidene)-1-(4-methoxyphenyl)pyridine- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C15 H13 N O3 S2 -","- C15 H13 N O3 S2 -","- C60 H52 N4 O12 S8 -","4","1","FF2024","Ma, Yan-Chun; Song, Jin-Long","3-(1,3-Dithiolan-2-ylidene)-1-(4-methoxyphenyl)pyridine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","9","o2433","","10.1107/S1600536811033009","","","0.71073","MoKα","","0.0695","0.0446","","","0.1113","0.1214","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231471","12.492","0.005","6.629","0.004","16.042","0.007","90","","96.74","0.03","90","","1319.2","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","10062a","(<i>S</i>)-(-)-1-Phenylethanaminium 4-(4,4-difluoro-1,3,5,7-tetramethyl-3a,4a-diaza-4-borata-<i>s</i>-indacen- 8-yl)benzoate","","- C28 H30 B F2 N3 O2 -","- C28 H30 B F2 N3 O2 -","- C56 H60 B2 F4 N6 O4 -","2","1","FL2344","Hinkle, Lindsay M.; Chitta, Raghu; Mann, Kent R.","(<i>S</i>)-({-})-1-Phenylethanaminium 4-(4,4-difluoro-1,3,5,7-tetramethyl-3a,4a-diaza-4-borata-<i>s</i>-indacen-8-yl)benzoate","Acta Crystallographica Section E","2011","67","9","o2265","o2266","10.1107/S1600536811019167","","","0.71073","MoKα","","0.0818","0.0494","","","0.1142","0.1303","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231472","16.235","0.007","5.123","0.002","12.791","0.006","90","","90.72","0.007","90","","1063.8","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-carboxylate","","- C11 H11 N O3 S -","- C11 H11 N O3 S -","- C44 H44 N4 O12 S4 -","4","1","FL2349","Wang, Xiang-hui; Yang, Jian-xin; You, Cheng-hang; Lin, Qiang","Propyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-carboxylate","Acta Crystallographica Section E","2011","67","9","o2237","","10.1107/S1600536811028613","","","0.71073","MoKα","","0.0529","0.0388","","","0.0919","0.099","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231473","14.724","0.002","7.304","0.003","17.509","0.002","90","","112.84","0.02","90","","1735.3","0.8","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxyanilinium nitrate","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C56 H80 N16 O32 -","8","2","FL2352","Rahmouni, Hajer; Smirani Sta, Wajda; Al-Deyab, S. Salem; Rzaigui, Mohamed","4-Methoxyanilinium nitrate","Acta Crystallographica Section E","2011","67","9","o2334","","10.1107/S1600536811031862","","","0.56085","AgKα","","0.2129","0.0685","","","0.1603","0.2193","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231474","9.5501","0.0012","12.2161","0.0013","8.5324","0.0008","90","","98.708","0.001","90","","983.96","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Amino-4,6-dihydroxypyrimidin-5-yl)acetamide dihydrate","","- C6 H12 N4 O5 -","- C6 H12 N4 O5 -","- C24 H48 N16 O20 -","4","1","FL2354","Zhang, Xiao-Min; Zhou, Hui-Liang; Hu, Qi-Lin","<i>N</i>-(2-Amino-4,6-dihydroxypyrimidin-5-yl)acetamide dihydrate","Acta Crystallographica Section E","2011","67","9","o2526","","10.1107/S1600536811034441","","","0.71073","MoKα","","0.0717","0.0419","","","0.1035","0.1197","","","","","","0.853","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231475","8.7112","0.0002","11.3051","0.0002","22.5913","0.0005","90","","90","","90","","2224.81","0.08","296","2","296","2","101","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>RS</i>,4'<i>RS</i>)-3'-(3-Chloro-4-methoxyphenyl)-4'-phenyl-4'<i>H</i>- spiro[indene-2,5'-isoxazol]-1(3<i>H</i>)-one ethanol monosolvate","","- C25 H23 Cl N2 O4 -","- C25 H23 Cl N2 O4 -","- C100 H92 Cl4 N8 O16 -","4","1","FY2017","Boughaleb, Adil; Zouihri, Hafid; Gmouh, Said; Kerbal, Abdelali; El yazidi, Mohamed","(2<i>RS</i>,4'<i>RS</i>)-3'-(3-Chloro-4-methoxyphenyl)-4'-phenyl-4'<i>H</i>-spiro[indene-2,5'-isoxazol]-1(3<i>H</i>)-one ethanol monosolvate","Acta Crystallographica Section E","2011","67","9","o2434","","10.1107/S1600536811032636","","","0.71073","MoKα","","0.0539","0.0391","","","0.0912","0.0956","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231476","6.849","0.0002","7.1376","0.0002","7.9675","0.0002","73.895","0.001","68.634","0.001","86.801","0.001","348.044","0.017","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","3-Hydroxy-2-(hydroxymethyl)pyridinium chloride","","- C6 H8 Cl N O2 -","- C6 H8 Cl N O2 -","- C12 H16 Cl2 N2 O4 -","2","1","FY2019","Betz, Richard; Gerber, Thomas; Hosten, Eric","3-Hydroxy-2-(hydroxymethyl)pyridinium chloride","Acta Crystallographica Section E","2011","67","9","o2348","","10.1107/S1600536811032405","","","0.71073","MoKα","","0.028","0.0252","","","0.0709","0.073","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231477","16.2029","0.0005","7.8648","0.0004","22.8422","0.0008","90","","90","","90","","2910.8","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,3-dibenzoylbenzene","(3-Benzoylphenyl)(phenyl)methanone","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","1","FY2021","Raza Ahsraf, Ahmed; Akhter, Zareen; Bolte, Michael","(3-Benzoylphenyl)(phenyl)methanone","Acta Crystallographica Section E","2011","67","9","o2432","","10.1107/S1600536811033344","","","0.71073","MoKα","","0.0465","0.0374","","","0.097","0.1014","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231478","19.4873","0.0017","3.6611","0.0003","20.2452","0.0018","90","","112.887","0.002","90","","1330.7","0.2","173","0.1","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(guanidinium) cyananilate","bis(guanidinium) 2,5-dicyano-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C10 H12 N8 O4 -","- C10 H12 N8 O4 -","- C40 H48 N32 O16 -","4","0.5","GK2374","Udachin, Konstantin A.; Zaman, Md. Badruz; Ripmeester, John A.","Bis(guanidinium) cyananilate","Acta Crystallographica Section E","2011","67","9","o2279","","10.1107/S1600536811028340","","","0.7107","MoKα","","0.0543","0.044","","","0.1243","0.1307","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231479","6.9114","0.0002","7.3056","0.0002","7.3629","0.0001","74.013","0.002","71.731","0.001","78.043","0.001","336.388","0.015","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Ethylenediammonium tetraaquadisulfatocadmate","","- C2 H18 Cd N2 O12 S2 -","- C2 H18 Cd N2 O12 S2 -","- C2 H18 Cd N2 O12 S2 -","1","0.5","GO2021","Rekik, Walid; Naïli, Houcine; Mhiri, Tahar; Bataille, Thierry","Ethylenediammonium tetraaquadisulfatocadmate","Acta Crystallographica Section E","2011","67","9","m1176","m1177","10.1107/S1600536811030005","","","0.71073","MoKα","","0.0336","0.0303","","","0.068","0.07","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231480","5.748","0.0003","11.6838","0.0005","12.2551","0.0005","70.076","0.003","77.244","0.002","83.413","0.003","753.97","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-cyclohexylsulfinyl-2,7-dimethyl-1-benzofuran","","- C16 H19 Cl O2 S -","- C16 H19 Cl O2 S -","- C32 H38 Cl2 O4 S2 -","2","1","GW2105","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Chloro-3-cyclohexylsulfinyl-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","9","o2385","","10.1107/S1600536811033095","","","0.71073","MoKα","","0.0585","0.0437","","","0.107","0.1159","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231481","6.7186","0.0014","28.036","0.006","8.4165","0.0018","90","","90.108","0.006","90","","1585.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Ferrocenyl-2-(4-nitrophenyl)acrylonitrile","","- C19 H14 Fe N2 O2 -","- C19 H14 Fe N2 O2 -","- C76 H56 Fe4 N8 O8 -","4","1","GW2107","Nyamori, Vincent O.; Moodley, Narainamah N.","3-Ferrocenyl-2-(4-nitrophenyl)acrylonitrile","Acta Crystallographica Section E","2011","67","9","m1293","","10.1107/S160053681103306X","","","0.71073","MoKα","","0.1231","0.0512","","","0.0946","0.1143","","","","","","0.898","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231482","8.4036","0.0007","11.2215","0.0008","21.4182","0.0012","90","","90","","90","","2019.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>)-<i>N</i>-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","HB5950","Nayab, Saira; Lee, Hong-In; Jeong, Jong Hwa","(2<i>R</i>)-<i>N</i>-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide","Acta Crystallographica Section E","2011","67","9","o2478","","10.1107/S1600536811033836","","","0.71073","MoKα","","0.0797","0.034","","","0.076","0.0837","","","","","","0.927","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231483","3.805","0.003","14.196","0.012","10.68","0.01","90","","97.221","0.014","90","","572.3","0.9","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dichloropyridine","","- C5 H3 Cl2 N -","- C5 H3 Cl2 N -","- C20 H12 Cl8 N4 -","4","0.5","HB5953","Luo, Li-Juan; Weng, Jian-Quan","2,3-Dichloropyridine","Acta Crystallographica Section E","2011","67","9","o2211","","10.1107/S1600536811030261","","","0.71073","MoKα","","0.0346","0.0254","","","0.0519","0.0539","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231484","7.7381","0.001","9.4598","0.0014","9.7976","0.0016","95.983","0.002","95.464","0.004","106.295","0.005","678.79","0.17","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","1-(4-Methoxyphenyl)-2-methyl-1<i>H</i>-indole-3-carbonitrile","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","HB6329","Yan, Qiao; Qi, Xiuxiang","1-(4-Methoxyphenyl)-2-methyl-1<i>H</i>-indole-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2312","","10.1107/S1600536811031035","","","0.71073","MoKα","","0.0474","0.0354","","","0.0871","0.0897","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231485","7.5759","0.0005","10.698","0.0009","14.6307","0.0012","90","","102.607","0.002","90","","1157.19","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[(<i>E</i>)-1,3-Benzodioxol-5-ylmethylidene]-3,4-dimethyl- 1,2-oxazol-5-amine","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","HB6330","Asiri, Abdullah M.; Khan, Salman A.; Tahir, M. Nawaz","<i>N</i>-[(<i>E</i>)-1,3-Benzodioxol-5-ylmethylidene]-3,4-dimethyl-1,2-oxazol-5-amine","Acta Crystallographica Section E","2011","67","9","o2305","","10.1107/S1600536811030327","","","0.71073","MoKα","","0.0692","0.0448","","","0.1137","0.132","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231486","4.7815","0.0003","16.567","0.0013","18.1658","0.0014","90","","90","","90","","1439.01","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(4-Chlorobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene- 3-carbonitrile","","- C16 H13 Cl N2 S -","- C16 H13 Cl N2 S -","- C64 H52 Cl4 N8 S4 -","4","1","HB6331","Asiri, Abdullah M.; Khan, Salman A.; Tahir, M. Nawaz","2-[(4-Chlorobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2254","","10.1107/S1600536811030704","","","0.71073","MoKα","","0.0762","0.0441","","","0.0864","0.0988","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231487","3.9595","0.0002","22.6656","0.0011","8.0285","0.0004","90","","104.257","0.002","90","","698.32","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Amino-2-chlorobenzoic acid","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","2","HB6334","Khan, Muneeb Hayat; Khan, Islam Ullah; Akkurt, Mehmet","4-Amino-2-chlorobenzoic acid","Acta Crystallographica Section E","2011","67","9","o2247","","10.1107/S1600536811030728","","","0.71073","MoKα","","0.0299","0.0288","","","0.0755","0.0766","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231488","8.7598","0.0006","13.78","0.0009","15.1344","0.001","90.672","0.001","98.521","0.001","106.743","0.001","1727.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Dichloridotetrakis(diniconazole)nickel(II)","Dichloridotetrakis[(<i>E</i>)-(<i>RS</i>)-1-(2,4-dichlorophenyl)-4,4- dimethyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)pent-1-en-3-ol]nickel(II)","","- C60 H68 Cl10 N12 Ni O4 -","- C60 H68 Cl10 N12 Ni O4 -","- C60 H68 Cl10 N12 Ni O4 -","1","0.5","HB6336","Xiong, Zhi-Qiang; Song, Xiu-Ying; Nie, Xu-Liang","Dichloridotetrakis(diniconazole)nickel(II)","Acta Crystallographica Section E","2011","67","9","m1213","","10.1107/S160053681103128X","","","0.71073","MoKα","","0.0617","0.0405","","","0.0932","0.1038","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231489","11.312","0.002","7.374","0.002","17.979","0.003","90","","91.972","0.003","90","","1498.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-methoxybenzylidene)-2-chlorobenzohydrazide","","- C15 H12 Br Cl N2 O2 -","- C15 H12 Br Cl N2 O2 -","- C60 H48 Br4 Cl4 N8 O8 -","4","1","HB6337","Li, Xiao-Yan","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-methoxybenzylidene)-2-chlorobenzohydrazide","Acta Crystallographica Section E","2011","67","9","o2511","","10.1107/S1600536811034623","","","0.71073","MoKα","","0.0554","0.0361","","","0.0848","0.0939","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231490","9.63","0.002","8.4322","0.0018","29.848","0.007","90","","90","","90","","2423.7","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Benzyl-2,7-diazaspiro[4.4]nonan-1-one","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C112 H144 N16 O8 -","8","1","HB6338","Guo, Huan-Mei","7-Benzyl-2,7-diazaspiro[4.4]nonan-1-one","Acta Crystallographica Section E","2011","67","9","o2517","","10.1107/S1600536811034301","","","0.71073","MoKα","","0.067","0.0592","","","0.1158","0.12","","","","","","1.162","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231491","14.4061","0.0015","8.4461","0.001","36.787","0.004","90","","90","","90","","4476.1","0.9","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,4,6-Trimethylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","","- C22 H21 N3 O8 -","- C22 H21 N3 O8 -","- C176 H168 N24 O64 -","8","2","HB6339","Abbasi, Muhammad Athar; Nazir, Kenneth; Akkurt, Mehmet; Aziz-ur-Rehman; Khan, Islam Ullah; Mustafa, Ghulam","2,4,6-Trimethylpyridinium 4-nitrobenzoate‒4-nitrobenzoic acid (1/1)","Acta Crystallographica Section E","2011","67","9","o2375","","10.1107/S1600536811032922","","","0.71073","MoKα","","0.1402","0.0444","","","0.0791","0.1017","","","","","","0.794","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231492","9.5458","0.0019","20.499","0.004","7.9283","0.0016","90","","90","","90","","1551.4","0.5","293","2","293","2","101.3","","","","","","","3","P n a 21","P 2c -2n","33","","1,4-Bis(1<i>H</i>-benzimidazol-1-yl)benzene","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","HB6340","Sun, Guo-Feng; Hu, Jian-Ping; Tang, Dian-Yong; Zhang, Yuan-Qin","1,4-Bis(1<i>H</i>-benzimidazol-1-yl)benzene","Acta Crystallographica Section E","2011","67","9","o2286","","10.1107/S1600536811031278","","","0.71073","MoKα","","0.0609","0.0505","","","0.1005","0.1044","","","","","","1.167","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231493","11.2418","0.001","8.0545","0.0007","16.1138","0.0013","90","","100.244","0.004","90","","1435.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenyl)-4-(4-hydroxyanilino)furan-2(5<i>H</i>)-one","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","HB6341","Peng, Wanxi; Wang, Lansheng; Wu, Fengjuan; Xu, Qiu","3-(4-Bromophenyl)-4-(4-hydroxyanilino)furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","9","o2329","","10.1107/S1600536811031849","","","0.71073","MoKα","","0.0821","0.0405","","","0.0931","0.1084","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231494","9.599","0.0008","8.3294","0.0007","14.7444","0.0012","90","","107.684","0.001","90","","1123.17","0.16","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(<i>E</i>)-3-[3,4-Bis(methoxymethoxy)phenyl]-1-(7-hydroxy-5-methoxy- 2,2-dimethylchroman-8-yl)prop-2-en-1-one","","- C25 H30 O8 -","- C25 H30 O8 -","- C50 H60 O16 -","2","1","HB6345","Hashim, Nur Athirah; Ahmad, Farediah; Basar, Norazah; Awang, Khalijah; Ng, Seik Weng","(<i>E</i>)-3-[3,4-Bis(methoxymethoxy)phenyl]-1-(7-hydroxy-5-methoxy-2,2-dimethylchroman-8-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2300","","10.1107/S160053681103131X","","","0.71073","MoKα","","0.0351","0.0323","","","0.0803","0.0824","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231495","9.4531","0.0007","10.4462","0.0008","10.8426","0.0008","113.866","0.001","90.12","0.001","109.882","0.001","908.55","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(2<i>H</i>-1,3-benzodioxol-5-yl)-1-(7-hydroxy-5-methoxy- 2,2-dimethylchroman-8-yl)prop-2-en-1-one","","- C22 H22 O6 -","- C22 H22 O6 -","- C44 H44 O12 -","2","1","HB6346","Ahmad, Farediah; Hashim, Nur Athirah; Basar, Norazah; Awang, Khalijah; Ng, Seik Weng","(<i>E</i>)-3-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1-(7-hydroxy-5-methoxy-2,2-dimethylchroman-8-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2301","","10.1107/S1600536811031321","","","0.71073","MoKα","","0.0498","0.0431","","","0.119","0.1258","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231496","8.4351","0.0002","9.3038","0.0003","9.5023","0.0003","90","","98.683","0.002","90","","737.18","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-2-{[1-Carboxy-2-(1<i>H</i>-indol-3-yl)ethyliminio]methyl}-6- hydroxyphenolate","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","HB6347","Ba-Salamah, Salah Ahmed; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Lo, Kong Mun","(<i>E</i>)-2-{[1-Carboxy-2-(1<i>H</i>-indol-3-yl)ethyliminio]methyl}-6-hydroxyphenolate","Acta Crystallographica Section E","2011","67","9","o2389","","10.1107/S1600536811031709","","","0.71073","MoKα","","0.0432","0.0384","","","0.0905","0.0934","","","","","","1.141","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231497","19.4238","0.0007","5.1275","0.0002","22.4815","0.0008","90","","114.319","0.002","90","","2040.38","0.13","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>tert</i>-Butyl <i>N</i>-[3-hydroxy-1-phenyl-4-(pyrimidin-2- ylsulfanyl)butan-2-yl]carbamate monohydrate","","- C19 H27 N3 O4 S -","- C19 H27 N3 O4 S -","- C76 H108 N12 O16 S4 -","4","1","HB6348","Gomes, Claudia R. B.; Vasconcelos, Thatyana R. A.; Vellasco, Jr, Walcimar T.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","<i>tert</i>-Butyl <i>N</i>-[3-hydroxy-1-phenyl-4-(pyrimidin-2-ylsulfanyl)butan-2-yl]carbamate monohydrate","Acta Crystallographica Section E","2011","67","9","o2313","o2314","10.1107/S1600536811031850","","","0.71073","MoKα","","0.071","0.0549","","","0.1037","0.1124","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231498","11.4747","0.0003","25.813","0.0008","13.853","0.0003","90","","120.585","0.002","90","","3532.35","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'; κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato- κ^2^<i>O</i>,<i>O</i>')terbium(III)]","","- C78 H70 N4 O18 Tb2 -","- C78 H70 N4 O18 Tb2 -","- C156 H140 N8 O36 Tb4 -","2","0.5","HB6349","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')terbium(III)]","Acta Crystallographica Section E","2011","67","9","m1234","","10.1107/S1600536811032041","","","0.71073","MoKα","","0.0562","0.0328","","","0.0668","0.0731","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231499","11.53","0.002","12.384","0.002","14.01","0.003","90","","119.82","0.004","90","","1735.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Benzyl 4-ethyl 2-chloro-5,6,7,8-tetrahydropyrido[4,3-<i>d</i>]pyrimidine-4,6-dicarboxylate","","- C18 H18 Cl N3 O4 -","- C18 H18 Cl N3 O4 -","- C72 H72 Cl4 N12 O16 -","4","1","HB6350","Guo, Huan-Mei","6-Benzyl 4-ethyl 2-chloro-5,6,7,8-tetrahydropyrido[4,3-<i>d</i>]pyrimidine-4,6-dicarboxylate","Acta Crystallographica Section E","2011","67","9","o2516","","10.1107/S1600536811034313","","","0.71073","MoKα","","0.0652","0.058","","","0.1365","0.142","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231500","24.92","0.005","9.5033","0.0019","11.064","0.002","90","","90","","90","","2620.2","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>N</i>-(4-Chlorophenyl)-4-methylpiperazine-1-carboxamide","","- C12 H16 Cl N3 O -","- C12 H16 Cl N3 O -","- C96 H128 Cl8 N24 O8 -","8","1","HB6351","Li, Yu-Feng; Wang, Wen-Mei","<i>N</i>-(4-Chlorophenyl)-4-methylpiperazine-1-carboxamide","Acta Crystallographica Section E","2011","67","9","o2453","","10.1107/S1600536811034283","","","0.71073","MoKα","","0.083","0.0594","","","0.1545","0.1919","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231501","14.0623","0.0006","14.1723","0.0008","6.2357","0.0003","90","","95.4","0.002","90","","1237.23","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{(<i>E</i>)-[(4-Methylphenyl)imino]methyl}-4-nitrophenol‒ 2-{(<i>E</i>)-[(4-methylphenyl)iminio]methyl}-4-nitrophenolate (0.60/0.40)","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","HB6352","Tahir, M. Nawaz; Shad, Hazoor Ahmad; Tariq, Riaz H.","2-{(<i>E</i>)-[(4-Methylphenyl)imino]methyl}-4-nitrophenol‒2-{(<i>E</i>)-[(4-methylphenyl)iminio]methyl}-4-nitrophenolate (0.60/0.40)","Acta Crystallographica Section E","2011","67","9","o2319","","10.1107/S1600536811032028","","","0.71073","MoKα","","0.0871","0.0486","","","0.1124","0.1326","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231502","8.1609","0.0003","9.6632","0.0005","14.1261","0.0007","92.027","0.004","102.822","0.004","111.984","0.004","998.55","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-1-(2-phenylhydrazin-1-ylidene)- 1-(phenylsulfonyl)propan-2-ylidene]benzohydrazide","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C44 H40 N8 O6 S2 -","2","1","HB6353","Abdel-Aziz, Hatem A.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-1-(2-Phenylhydrazin-1-ylidene)-1-(phenylsulfonyl)propan-2-ylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","9","o2317","o2318","10.1107/S1600536811031953","","","1.5418","CuKα","","0.0332","0.0307","","","0.083","0.0852","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231503","7.6145","0.0003","8.4964","0.0006","9.7023","0.0006","64.898","0.007","89.859","0.004","71.517","0.005","532.69","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (2<i>E</i>)-2-cyano-3-(1-methyl-1<i>H</i>-pyrrol-2-yl)prop-2-enoate","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","HB6354","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","Ethyl (2<i>E</i>)-2-cyano-3-(1-methyl-1<i>H</i>-pyrrol-2-yl)prop-2-enoate","Acta Crystallographica Section E","2011","67","9","o2315","","10.1107/S1600536811031941","","","0.71073","MoKα","","0.056","0.0409","","","0.0945","0.1056","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231504","9.5717","0.0003","16.9516","0.0006","11.3143","0.0004","90","","104.946","0.004","90","","1773.7","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>Z</i>)-1-(5-Hydroxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)- 3-(4-methoxyanilino)but-2-en-1-one","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","HB6355","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>Z</i>)-1-(5-Hydroxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-3-(4-methoxyanilino)but-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2353","","10.1107/S1600536811032491","","","0.71073","MoKα","","0.0573","0.042","","","0.0938","0.1039","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231505","7.0144","0.0004","7.4488","0.0004","15.6202","0.0008","81.987","0.002","81.009","0.003","73.527","0.002","769.12","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[(<i>E</i>)-3,4-Dimethoxybenzylidene]-2,3-dimethylaniline","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C34 H38 N2 O4 -","2","1","HB6358","Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Tariq, Riaz H.","<i>N</i>-[(<i>E</i>)-3,4-Dimethoxybenzylidene]-2,3-dimethylaniline","Acta Crystallographica Section E","2011","67","9","o2378","","10.1107/S1600536811032892","","","0.71073","MoKα","","0.1071","0.0613","","","0.1767","0.2105","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231506","7.473","0.002","8.386","0.003","11.818","0.004","97.401","0.006","102.94","0.007","109.616","0.006","662.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-6-methylpyridinium 2-carboxybenzoate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","HB6359","Hemamalini, Madhukar; Razak, Ibrahim Abdul; Fun, Hoong-Kun","2-Amino-6-methylpyridinium 2-carboxybenzoate","Acta Crystallographica Section E","2011","67","9","o2402","","10.1107/S1600536811033174","","","0.71073","MoKα","","0.0922","0.0554","","","0.1593","0.1904","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231507","7.6094","0.00001","9.1609","0.00001","11.1735","0.0002","84.202","0.001","85.707","0.001","69.895","0.001","727.017","0.014","100","1","100","1","","","","","","","","3","P -1","-P 1","2","11-Hydroxy-9-(prop-2-en-1-yl)-9,10-dihydro-9,10-propanoanthracen-12-one","15-hydroxy-1-(prop-2-en-1-yl)tetracyclo[6.6.3.0^2,7^.0^9,14^]heptadeca- 2,4,6,9(14),10,12-hexaen-16-one","","- C20 H18 O2 -","- C20 H18 O2 -","- C40 H36 O4 -","2","1","HB6360","Karama, Usama; Almansour, Abdulrahman I.; Arumugam, Natarajan; Razak, Ibrahim Abdul; Arshad, Suhana","11-Hydroxy-9-(prop-2-en-1-yl)-9,10-dihydro-9,10-propanoanthracen-12-one","Acta Crystallographica Section E","2011","67","9","o2487","","10.1107/S1600536811033538","","","0.71073","MoKα","","0.0503","0.0445","","","0.1229","0.1296","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231508","7.8216","0.0001","21.2865","0.0003","14.0641","0.0002","90","","116.156","0.001","90","","2101.81","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-(4-Chlorophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]- 1,3,1''-trione","","- C27 H20 Cl N O3 -","- C27 H20 Cl N O3 -","- C108 H80 Cl4 N4 O12 -","4","1","HB6361","Wei, Ang Chee; Ali, Mohamed Ashraf; Yoon, Yeong Keng; Quah, Ching Kheng; Fun, Hoong-Kun","4'-(4-Chlorophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2011","67","9","o2404","","10.1107/S1600536811033642","","","0.71073","MoKα","","0.0782","0.0496","","","0.0993","0.1126","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231509","12.3926","0.0002","8.8033","0.0001","21.5592","0.0003","90","","103.217","0.001","90","","2289.72","0.06","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Chloro-3-nitrobenzoato)triphenyltin(IV)","","- C25 H18 Cl N O4 Sn -","- C25 H18 Cl N O4 Sn -","- C100 H72 Cl4 N4 O16 Sn4 -","4","1","HB6362","Win, Yip-Foo; Choong, Chen-Shang; Teoh, Siang-Guan; Quah, Ching Kheng; Fun, Hoong-Kun","(4-Chloro-3-nitrobenzoato)triphenyltin(IV)","Acta Crystallographica Section E","2011","67","9","m1270","m1271","10.1107/S160053681103282X","","","0.71073","MoKα","","0.0308","0.0276","","","0.0546","0.0557","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231510","3.7307","0.0003","22.8402","0.0018","8.7064","0.0007","90","","93.29","0.002","90","","740.65","0.1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,5-Trihydroxybenzohydrazide","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","HB6363","Ashiq, Uzma; Ara Jamal, Rifat; Yousuf, Sammer","3,4,5-Trihydroxybenzohydrazide","Acta Crystallographica Section E","2011","67","9","o2462","","10.1107/S1600536811034374","","","0.71073","MoKα","","0.0373","0.0342","","","0.0891","0.0921","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231511","18.6896","0.0009","15.025","0.0007","8.4679","0.0004","90","","90","","90","","2377.88","0.19","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-1-(4-Chlorobenzylidene)-2-phenylhydrazine","","- C13 H11 Cl N2 -","- C13 H11 Cl N2 -","- C104 H88 Cl8 N16 -","8","2","HB6364","Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Tariq, Riaz H.; Sarfraz, Muhammad","(<i>E</i>)-1-(4-Chlorobenzylidene)-2-phenylhydrazine","Acta Crystallographica Section E","2011","67","9","o2377","","10.1107/S1600536811032958","","","0.71073","MoKα","","0.1277","0.046","","","0.0803","0.107","","","","","","0.957","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231512","11.4738","0.0001","25.8057","0.0003","13.8525","0.0002","90","","120.657","0.001","90","","3528.32","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'; κ^3^<i>O</i>:<i>O</i>,<i>O</i>',κ^4^<i>O</i>:<i>O</i>'- bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2- phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]","","- C78 H70 Dy2 N4 O18 -","- C78 H70 Dy2 N4 O18 -","- C156 H140 Dy4 N8 O36 -","2","0.5","HB6365","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>',κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]","Acta Crystallographica Section E","2011","67","9","m1320","","10.1107/S1600536811034696","","","0.71073","MoKα","","0.0357","0.0245","","","0.0503","0.0534","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231513","5.042","0.0002","18.484","0.0008","22.965","0.0008","90","","90","","90","","2140.25","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-{(2<i>S</i>)-3-Hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]- 1-phenyl-2-butyl}-4-methylbenzenesulfonamide","","- C20 H23 N3 O3 S3 -","- C20 H23 N3 O3 S3 -","- C80 H92 N12 O12 S12 -","4","1","HB6366","Gomes, Claudia R. B.; Vasconcelos, Thatyana R. A.; Junior, Walcimar T. Vellasco; Cunico, Wilson; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","<i>N</i>-{(2<i>S</i>)-3-Hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2-butyl}-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2447","o2448","10.1107/S1600536811033575","","","0.71073","MoKα","","0.1438","0.0783","","","0.174","0.206","","","","","","1.291","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231514","8.6935","0.0003","10.9167","0.0003","11.3401","0.0005","107.193","0.002","108.923","0.002","104.723","0.002","896.66","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-6-ethoxyphenol","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C44 H38 N6 O4 -","2","1","HB6367","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Lo, Kong Mun","2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-6-ethoxyphenol","Acta Crystallographica Section E","2011","67","9","o2519","","10.1107/S1600536811034714","","","0.71073","MoKα","","0.0737","0.0587","","","0.1537","0.1639","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231515","22.632","0.003","11.1961","0.0012","16.1137","0.0018","90","","90","","90","","4083.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-6-methyl- 1,3-benzothiazole","","- C24 H21 N3 O S -","- C24 H21 N3 O S -","- C192 H168 N24 O8 S8 -","8","1","HB6368","Fun, Hoong-Kun; Arshad, Suhana; Himaja, M.; Munirajasekhar, D.; Sarojini, B. K.","2-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-6-methyl-1,3-benzothiazole","Acta Crystallographica Section E","2011","67","9","o2412","","10.1107/S1600536811033666","","","0.71073","MoKα","","0.0779","0.0409","","","0.1027","0.123","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231516","9.0611","0.0001","13.8393","0.0002","18.047","0.0003","90","","92.386","0.001","90","","2261.12","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-[3-(1<i>H</i>-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1<i>H</i>- benzo[<i>d</i>]imidazole-5-carboxylate dihydrate","","- C22 H25 Cl N4 O4 -","- C22 H25 Cl N4 O4 -","- C88 H100 Cl4 N16 O16 -","4","1","HB6369","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Wei, Ang Chee; Quah, Ching Kheng; Fun, Hoong-Kun","Ethyl 1-[3-(1<i>H</i>-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate dihydrate","Acta Crystallographica Section E","2011","67","9","o2405","","10.1107/S1600536811033654","","","0.71073","MoKα","","0.0676","0.0483","","","0.1223","0.1357","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231517","10.6325","0.0011","5.7775","0.0006","19.572","0.002","90","","98.426","0.006","90","","1189.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazole","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","HB6370","Shelton, Alexander H.; Stephenson, Andrew; Ward, Michael D.; Kassim, Mohammad B.","1-Benzoyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","9","o2445","","10.1107/S1600536811033368","","","0.71073","MoKα","","0.037","0.0345","","","0.0947","0.0972","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231518","9.5408","0.0001","15.6503","0.0002","11.7609","0.0001","90","","110.408","0.001","90","","1645.87","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(5,6-dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)5-methoxyphenol","2-(5,6-dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-5-methoxyphenol","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","HB6371","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun","2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-5-methoxyphenol","Acta Crystallographica Section E","2011","67","9","o2410","o2411","10.1107/S1600536811034027","","","0.71073","MoKα","","0.0929","0.0593","","","0.1252","0.1394","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231519","8.912","0.0007","6.341","0.0004","11.8471","0.001","90","","109.98","0.004","90","","629.2","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>R</i>)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","HB6372","Raza, Abdul Rauf; Saddiqa, Aisha; Tahir, M. Nawaz; Saddiq, Sadia","(2<i>R</i>)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid","Acta Crystallographica Section E","2011","67","9","o2435","","10.1107/S1600536811033393","","","0.71073","MoKα","","0.0575","0.0412","","","0.0918","0.1","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231520","9.17","0.007","8.849","0.006","16.337","0.012","90","","94.415","0.015","90","","1321.7","1.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Bromophenyl)-2-methyl-1<i>H</i>-indole-3-carbonitrile","","- C16 H11 Br N2 -","- C16 H11 Br N2 -","- C64 H44 Br4 N8 -","4","1","HB6373","Yan, Qiao; Qi, Xiuxiang","1-(4-Bromophenyl)-2-methyl-1<i>H</i>-indole-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2509","","10.1107/S1600536811034246","","","0.71073","MoKα","","0.058","0.0422","","","0.0999","0.1062","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231521","12.5467","0.0011","13.4389","0.0009","18.001","0.0013","90","","108.299","0.008","90","","2881.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>O</i>,<i>O</i>'-2-iodo-1,3-phenylene bis(diphenylphosphinothioate)","","- C30 H23 I O2 P2 S2 -","- C30 H23 I O2 P2 S2 -","- C120 H92 I4 O8 P8 S8 -","4","1","HB6374","Niu, Jun-long; Wang, Xia; Gao, Biao; Song, Mao-ping","<i>O</i>,<i>O</i>'-2-Iodo-1,3-phenylene bis(diphenylphosphinothioate)","Acta Crystallographica Section E","2011","67","9","o2499","","10.1107/S1600536811033629","","","0.7107","MoKα","","0.0493","0.0361","","","0.08","0.0855","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231522","13.5309","0.0003","7.3014","0.0002","12.6058","0.0003","90","","99.574","0.001","90","","1228.04","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-methyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazole-4-carboxylate","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C48 H48 N16 O16 -","4","1","HB6375","Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna","Ethyl 5-methyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazole-4-carboxylate","Acta Crystallographica Section E","2011","67","9","o2416","","10.1107/S1600536811033940","","","0.71073","MoKα","","0.0506","0.0398","","","0.1043","0.1139","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231523","7.8221","0.0001","8.2109","0.0001","14.6757","0.0003","90","","101.302","0.001","90","","924.29","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Nitrophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C8 H6 N4 O2 S -","- C8 H6 N4 O2 S -","- C32 H24 N16 O8 S4 -","4","1","HB6376","Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna","3-(4-Nitrophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","9","o2413","","10.1107/S1600536811033952","","","0.71073","MoKα","","0.0466","0.0423","","","0.1073","0.1093","","","","","","1.168","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231524","23.6018","0.0008","11.2077","0.0004","8.6653","0.0003","90","","90","","90","","2292.16","0.14","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-[5-Methyl-2-(propan-2-yl)phenoxy]-<i>N</i>'- {2-[5-methyl-2-(propan-2-yl)phenoxy]acetyl}acetohydrazide","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C96 H128 N8 O16 -","4","0.5","HB6377","Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna","2-[5-Methyl-2-(propan-2-yl)phenoxy]-<i>N</i>'-{2-[5-methyl-2-(propan-2-yl)phenoxy]acetyl}acetohydrazide","Acta Crystallographica Section E","2011","67","9","o2414","","10.1107/S1600536811033964","","","0.71073","MoKα","","0.046","0.0407","","","0.1066","0.1111","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231525","11.5142","0.0002","25.8845","0.0004","13.9275","0.0002","90","","120.204","0.001","90","","3587.41","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'; κ^3^<i>O</i>:<i>O</i>,<i>O</i>',κ^4^<i>O</i>:<i>O</i>'- bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2- phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')praseodymium(III)]","","- C78 H70 N4 O18 Pr2 -","- C78 H70 N4 O18 Pr2 -","- C156 H140 N8 O36 Pr4 -","2","0.5","HB6378","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>',κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')praseodymium(III)]","Acta Crystallographica Section E","2011","67","9","m1321","","10.1107/S1600536811034702","","","0.71073","MoKα","","0.0291","0.0222","","","0.0484","0.0508","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231526","7.885","0.002","28.629","0.008","7.066","0.002","90","","97.338","0.004","90","","1582","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylphosphanyl)benzoic acid","","- C19 H15 O2 P -","- C19 H15 O2 P -","- C76 H60 O8 P4 -","4","1","HB6381","Zhao, Pei-Hua; Sun, Fu-Yu; Liu, Jun-Jie","4-(Diphenylphosphanyl)benzoic acid","Acta Crystallographica Section E","2011","67","9","o2454","","10.1107/S1600536811034234","","","0.71073","MoKα","","0.0496","0.0404","","","0.1038","0.1091","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231527","7.2511","0.0003","10.2272","0.0004","16.7169","0.0007","88.441","0.003","80.057","0.002","77.062","0.002","1189.99","0.08","296","","296","","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylpyridinium 4-chlorobenzenesulfonate monohydrate","","- C24 H29 Cl N2 O4 S -","- C24 H29 Cl N2 O4 S -","- C48 H58 Cl2 N4 O8 S2 -","2","1","HB6382","Fun, Hoong-Kun; Kaewmanee, Narissara; Chanawanno, Kullapa; Karalai, Chatchanok; Chantrapromma, Suchada","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylpyridinium 4-chlorobenzenesulfonate monohydrate","Acta Crystallographica Section E","2011","67","9","o2488","o2489","10.1107/S1600536811034258","","","0.71073","MoKα","","0.0666","0.0442","","","0.1042","0.1176","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231528","10.7752","0.0011","15.869","0.0017","4.3272","0.001","90","","90","","90","","739.9","0.2","291","2","291","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Bis(2-bromo-5-methylphenoxy)methane","","- C15 H14 Br2 O2 -","- C15 H14 Br2 O2 -","- C30 H28 Br4 O4 -","2","0.5","HB6383","Niu, Jun-long; Wang, Xia; Zhang, Lin-bao; Song, Mao-ping","Bis(2-bromo-5-methylphenoxy)methane","Acta Crystallographica Section E","2011","67","9","o2539","","10.1107/S1600536811034805","","","1.54178","CuKα","","0.072","0.055","","","0.1048","0.1232","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231529","9.1908","0.0008","9.6697","0.0019","29.0243","0.0008","90","","90","","90","","2579.5","0.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(benzyltrimethylammonium) tetrabromidocuprate(II)","","- C20 H32 Br4 Cu N2 -","- C20 H32 Br4 Cu N2 -","- C80 H128 Br16 Cu4 N8 -","4","1","HB6385","Jin, Lei; Liu, Ning; Li, Yong-Jun; Wu, De-Hong","Bis(benzyltrimethylammonium) tetrabromidocuprate(II)","Acta Crystallographica Section E","2011","67","9","m1325","","10.1107/S1600536811034830","","","0.71073","MoKα","","0.1075","0.0629","","","0.1503","0.1723","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231530","7.3151","0.0003","12.4913","0.0004","13.8569","0.0005","101.81","0.001","94.603","0.001","91.424","0.001","1234.27","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","3,3'-Diallyl-1,1'-[<i>o</i>-phenylenebis(methylene)]diimidazol-3-ium bis(hexafluorophosphate)","","- C20 H24 F12 N4 P2 -","- C20 H24 F12 N4 P2 -","- C40 H48 F24 N8 P4 -","2","1","HB6386","Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Hemamalini, Madhukar; Fun, Hoong-Kun","3,3'-Diallyl-1,1'-[<i>o</i>-phenylenebis(methylene)]diimidazol-3-ium bis(hexafluorophosphate)","Acta Crystallographica Section E","2011","67","9","o2529","o2530","10.1107/S160053681103474X","","","0.71073","MoKα","","0.056","0.0494","","","0.1366","0.1422","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231531","8.3927","0.001","5.0972","0.0008","20.739","0.002","90","","100.098","0.008","90","","873.46","0.19","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3<i>H</i>-1,3-Benzothiazol-2-ylidene)propanedial","","- C10 H7 N O2 S -","- C10 H7 N O2 S -","- C40 H28 N4 O8 S4 -","4","1","HG5064","Ennajih, Hamid; Bouhfid, Rachid; Massip, Stephane; Leger, Jean Michel; Essassi, El Mokhtar","2-(3<i>H</i>-1,3-Benzothiazol-2-ylidene)propanedial","Acta Crystallographica Section E","2011","67","9","o2260","","10.1107/S1600536811030248","","","1.5418","CuKα","","0.0688","0.0666","","","0.1631","0.1645","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231532","8.1928","0.0003","14.3757","0.0005","17.1839","0.0006","90","","90","","90","","2023.87","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,2'-Bis(methoxymethoxy)-3-methyl-1,1'-binaphthyl","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","HG5065","Carrilho, Rui M. B.; Abreu, Artur R.; Pereira, Mariette M.; Rodrigues, V. H.","2,2'-Bis(methoxymethoxy)-3-methyl-1,1'-binaphthyl","Acta Crystallographica Section E","2011","67","9","o2370","","10.1107/S1600536811031722","","","0.71073","MoKα","","0.0385","0.0308","","","0.0751","0.0806","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231533","11.3126","0.0004","13.2707","0.0004","10.8277","0.0004","90","","106.902","0.004","90","","1555.3","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Phenyl-5-{[2-(trimethylsilyl)ethyl]sulfonyl}-1<i>H</i>-tetrazole","","- C12 H18 N4 O2 S Si -","- C12 H18 N4 O2 S Si -","- C48 H72 N16 O8 S4 Si4 -","4","1","HG5066","Tymann, David; Nelson, Björn; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","1-Phenyl-5-{[2-(trimethylsilyl)ethyl]sulfonyl}-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2011","67","9","o2369","","10.1107/S1600536811030492","","","0.71073","MoKα","","0.0313","0.0271","","","0.0772","0.0786","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231534","10.2031","0.0002","10.3267","0.0003","14.1217","0.0003","90","","108.989","0.003","90","","1406.95","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorobenzenesulfonamido)-5-methylcyclohex-2-en-1-one","","- C13 H14 Cl N O3 S -","- C13 H14 Cl N O3 S -","- C52 H56 Cl4 N4 O12 S4 -","4","1","HG5071","Jackson, Patrice L.; North, Henry; Alexander, Mariano S.; Assey, Gervas E.; Scott, Kenneth R.; Butcher, Ray J.","3-(4-Chlorobenzenesulfonamido)-5-methylcyclohex-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2272","o2273","10.1107/S1600536811030662","","","1.54184","CuKα","","0.0862","0.0831","","","0.2456","0.2499","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231535","13.545","0.003","11.55","0.002","14.327","0.003","90","","115.656","0.003","90","","2020.4","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua{6,6'-diethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}zinc","","- C20 H24 N2 O5 Zn -","- C20 H24 N2 O5 Zn -","- C80 H96 N8 O20 Zn4 -","4","1","HG5074","Wang, Chen-Yi; Wu, Xiang; Hu, Juan-Juan; Han, Zhi-Ping","Aqua{6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}zinc","Acta Crystallographica Section E","2011","67","9","m1220","","10.1107/S1600536811031497","","","0.71073","MoKα","","0.0635","0.0374","","","0.0758","0.0853","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231536","10.4935","0.0004","23.8464","0.0008","11.5464","0.0004","90","","93.756","0.003","90","","2883.08","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one","","- C18 H15 N O S -","- C18 H15 N O S -","- C144 H120 N8 O8 S8 -","8","2","HG5075","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-(thiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2283","o2284","10.1107/S1600536811031485","","","0.71073","MoKα","","0.0949","0.0553","","","0.1327","0.1603","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231537","8.1125","0.0004","13.6429","0.0007","13.7755","0.0007","61.571","0.001","87.449","0.001","82.354","0.001","1328.55","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)","","- C18 H28 Cu2 N4 O8 -","- C18 H28 Cu2 N4 O8 -","- C36 H56 Cu4 N8 O16 -","2","1","HG5077","van Wyk, Juanita; Omondi, Bernard; Darkwa, James","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]","Acta Crystallographica Section E","2011","67","9","m1299","","10.1107/S1600536811032600","","","0.71073","MoKα","","0.0342","0.0308","","","0.0872","0.0893","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231538","9.4509","0.0005","8.5456","0.0004","11.9859","0.0005","90","","104.107","0.005","90","","938.83","0.08","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Ethyl 5-((1<i>E</i>)-1-{(<i>E</i>)-2-[1-(4-ethoxycarbonyl-3-methyl-1,2- oxazol-5-yl)ethylidene]hydrazin-1-ylidene}ethyl)-3-methyl-1,2-oxazole- 4-carboxylate","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","0.5","HG5078","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","Ethyl 5-((1<i>E</i>)-1-{(<i>E</i>)-2-[1-(4-ethoxycarbonyl-3-methyl-1,2-oxazol-5-yl)ethylidene]hydrazin-1-ylidene}ethyl)-3-methyl-1,2-oxazole-4-carboxylate","Acta Crystallographica Section E","2011","67","9","o2316","","10.1107/S1600536811032004","","","0.71073","MoKα","","0.067","0.0488","","","0.1385","0.1593","","","","","","0.865","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231539","11.8908","0.0003","7.1807","0.0001","28.3004","0.0006","90","","90","","90","","2416.41","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(thiophen-3-yl)penta-1,4-dien-3-one","","- C13 H10 O S2 -","- C13 H10 O S2 -","- C104 H80 O8 S16 -","8","1","HG5079","Shalini, S.; Girija, C. R.; Jotani, Mukesh M.; Rajashekhar, B.; Rao, Nageswar; Tiekink, Edward R. T.","(1<i>E</i>,4<i>E</i>)-1,5-Bis(thiophen-3-yl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2011","67","9","o2354","","10.1107/S160053681103248X","","","0.71073","MoKα","","0.0544","0.0399","","","0.1044","0.1212","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231540","16.6635","0.0005","9.5722","0.0002","22.8942","0.0007","90","","108.779","0.001","90","","3457.38","0.17","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Benzyl-5-(dimethylamino)naphthalene-1-sulfonamide","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C152 H160 N16 O16 S8 -","8","1","HG5080","Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","<i>N</i>-Benzyl-5-(dimethylamino)naphthalene-1-sulfonamide","Acta Crystallographica Section E","2011","67","9","o2458","o2459","10.1107/S1600536811033083","","","0.71073","MoKα","","0.0422","0.0358","","","0.0913","0.0957","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231541","16.243","0.0007","4.9461","0.0002","21.2383","0.0008","90","","111.231","0.005","90","","1590.47","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(5-Phenyl-3-trifluoromethyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","","- C16 H12 F3 N3 O2 S -","- C16 H12 F3 N3 O2 S -","- C64 H48 F12 N12 O8 S4 -","4","1","HG5083","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4-(5-Phenyl-3-trifluoromethyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2424","","10.1107/S1600536811033435","","","0.71073","MoKα","","0.059","0.0432","","","0.0997","0.113","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231542","9.0212","0.0004","22.1475","0.0008","9.3114","0.0004","90","","110.41","0.005","90","","1743.6","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(4-methoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","HG5084","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Amino-1-(4-methoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2011","67","9","o2449","","10.1107/S1600536811033617","","","0.71073","MoKα","","0.0679","0.0483","","","0.1042","0.1161","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231543","9.5955","0.0008","12.2627","0.0011","14.1848","0.0012","82.72","0.002","80.501","0.001","82.899","0.002","1623.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","(Pentafluoropropionato-κ<i>O</i>)tetrakis(trimethylphosphine oxide-κ<i>O</i>)copper(II) pentafluoropropionate","","- C18 H36 Cu F10 O8 P4 -","- C18 H36 Cu F10 O8 P4 -","- C36 H72 Cu2 F20 O16 P8 -","2","1","HP2011","Szymańska, Iwona B.; Dobrzańska, Liliana","(Pentafluoropropionato-κ<i>O</i>)tetrakis(trimethylphosphine oxide-κ<i>O</i>)copper(II) pentafluoropropionate","Acta Crystallographica Section E","2011","67","9","m1225","m1226","10.1107/S1600536811031114","","","0.71073","MoKα","","0.0531","0.0465","","","0.1192","0.1243","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231544","10.8799","0.0009","19.5524","0.0016","8.6446","0.0007","90","","101.051","0.002","90","","1804.9","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II)","","- C18 H12 Cl2 Mn N6 -","- C18 H12 Cl2 Mn N6 -","- C72 H48 Cl8 Mn4 N24 -","4","1","HP2014","Ha, Kwang","A monoclinic polymorph of dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II)","Acta Crystallographica Section E","2011","67","9","m1306","","10.1107/S1600536811034118","","","0.71073","MoKα","","0.098","0.0447","","","0.0895","0.116","","","","","","1.01","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231545","8.4034","0.0017","16.914","0.003","13.436","0.005","90","","114.23","0.02","90","","1741.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)cadmium]bis[μ-1,4- bis(pyridin-3-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>']]","","- C36 H32 Cd N6 O10 -","- C36 H32 Cd N6 O10 -","- C72 H64 Cd2 N12 O20 -","2","0.5","HY2453","Zhang, Shuang; Yu, Ying-Hui; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng","<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)cadmium]bis[μ-1,4-bis(pyridin-3-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>']]","Acta Crystallographica Section E","2011","67","9","m1263","","10.1107/S1600536811032697","","","0.71073","MoKα","","0.0368","0.0287","","","0.0747","0.0774","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231546","7.4358","0.0005","19.9044","0.0007","18.7547","0.0012","90","","100.748","0.006","90","","2727.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(6,6'- dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) heptahydrate","","- C21 H34 N2 Ni O15 -","- C21 H34 N2 Ni O15 -","- C84 H136 N8 Ni4 O60 -","4","1","HY2454","Shan, Wen-Wen; Xiong, Han-Lin; Mei, Chong-Zhen","Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(6,6'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) heptahydrate","Acta Crystallographica Section E","2011","67","9","m1244","m1245","10.1107/S1600536811032090","","","0.71073","MoKα","","0.0552","0.0432","","","0.1068","0.1124","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231547","8.9084","0.0011","9.9817","0.0012","16.727","0.002","90","","94.104","0.003","90","","1483.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^1^,<i>N</i>^2^)platinum(II)","","- C14 H10 Br2 N4 Pt -","- C14 H10 Br2 N4 Pt -","- C56 H40 Br8 N16 Pt4 -","4","1","HY2455","Ha, Kwang","Dibromido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^1^,<i>N</i>^2^)platinum(II)","Acta Crystallographica Section E","2011","67","9","m1230","","10.1107/S1600536811031643","","","0.71073","MoKα","","0.0849","0.0402","","","0.075","0.0985","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231548","7.1261","0.0016","9.581","0.002","12.424","0.003","100.496","0.003","98.06","0.003","94.979","0.003","820.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[[triaquaeuropium(III)]-bis(μ-1<i>H</i>,3<i>H</i>-\ benzimidazol-3-ium-5,6-dicarboxylato-\ κ^3^<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^6^)-\ [triaquaeuropium(III)]-di-μ-sulfato-\ κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>'] hexahydrate]","","- C18 H34 Eu2 N4 O28 S2 -","- C18 H34 Eu2 N4 O28 S2 -","- C18 H34 Eu2 N4 O28 S2 -","1","0.5","HY2456","Cai, Xia; Lin, Jing-Jun; Chen, Hao-Zhao; Chen, Lai-Chen; Zeng, Rong-Hua","A one-dimensional triaquaeuropium(III)‒1<i>H</i>,3<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylate‒sulfate polymeric structure","Acta Crystallographica Section E","2011","67","9","m1310","m1311","10.1107/S1600536811034337","","","0.71073","MoKα","","0.0382","0.0362","","","0.0941","0.0965","","","","","","1.023","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231549","6.787","0.005","6.758","0.005","12.036","0.005","90","","102.919","0.005","90","","538.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[diaquacopper(II)]-μ-hydroxido-κ^2^<i>O</i>:<i>O</i>- μ-[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato]- κ^2^<i>N</i>^1^:<i>N</i>^2^]","","- C9 H11 Cu N3 O5 -","- C9 H11 Cu N3 O5 -","- C18 H22 Cu2 N6 O10 -","2","0.5","HY2457","Shi, Haochen; Gao, Feng; Qi, Jingang","<i>catena</i>-Poly[[diaquacopper(II)]-μ-hydroxido-κ^2^<i>O</i>:<i>O</i>-μ-[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato]-κ^2^<i>N</i>^1^:<i>N</i>^2^]","Acta Crystallographica Section E","2011","67","9","m1255","m1256","10.1107/S1600536811032624","","","0.71073","MoKα","","0.0323","0.0279","","","0.0801","0.0828","","","","","","1.12","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231550","8.453","0.0004","10.9757","0.0006","12.7124","0.0007","112.112","0.001","91.614","0.001","104.453","0.001","1048.25","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[triaquaeuropium(III)]-μ-(1<i>H</i>- benzimidazole-5,6-dicarboxylato-κ^2^<i>O</i>^5^:<i>O</i>^6^)-μ- (1<i>H</i>,3<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato- κ^3^<i>O</i>^5^:<i>O</i>^6^,<i>O</i>^6'^)] dihydrate]","","- C18 H19 Eu N4 O13 -","- C18 H19 Eu N4 O13 -","- C36 H38 Eu2 N8 O26 -","2","1","HY2459","Chen, Xiao-Ye; Huo, Shu-Min; Lin, Jing-Jun; Cai, Xia; Zeng, Rong-Hua","<i>catena</i>-Poly[[[triaquaeuropium(III)]-μ-(1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^2^<i>O</i>^5^:<i>O</i>^6^)-μ-(1<i>H</i>,3<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato-κ^3^<i>O</i>^5^:<i>O</i>^6^,<i>O</i>^6'^)] dihydrate]","Acta Crystallographica Section E","2011","67","9","m1294","m1295","10.1107/S1600536811033496","","","0.71073","MoKα","","0.0263","0.0238","","","0.056","0.0573","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231551","6.5932","0.0008","13.0463","0.0016","13.5933","0.0016","104.313","0.001","96.662","0.001","97.646","0.001","1109.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[μ-aqua-diaqua(μ~3~-1<i>H</i>-benzimidazole-5-carboxylato- κ^3^<i>N</i>^3^:<i>O</i>,<i>O</i>')(μ~2~-1<i>H</i>-benzimidazole-5- carboxylato-κ^3^<i>N</i>^3^:<i>O</i>:<i>O</i>')-μ~5~-sulfato-μ~4~-sulfato- tricadmium]","","- C16 H16 Cd3 N4 O15 S2 -","- C16 H16 Cd3 N4 O15 S2 -","- C32 H32 Cd6 N8 O30 S4 -","2","1","HY2460","Chen, Lai-Chen; Huo, Shu-Min; Chen, Hao-Zhao; Yang, Ya-Qing; Zeng, Rong-Hua","Poly[μ-aqua-diaqua(μ~3~-1<i>H</i>-benzimidazole-5-carboxylato-κ^3^<i>N</i>^3^:<i>O</i>,<i>O</i>')(μ~2~-1<i>H</i>-benzimidazole-5-carboxylato-κ^3^<i>N</i>^3^:<i>O</i>:<i>O</i>')-μ~5~-sulfato-μ~4~-sulfato-tricadmium]","Acta Crystallographica Section E","2011","67","9","m1312","m1313","10.1107/S1600536811034477","","","0.71073","MoKα","","0.0282","0.0252","","","0.0634","0.0674","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231552","9.8116","0.0005","10.9631","0.0007","11.1658","0.0007","68.8","0.006","67.085","0.005","85.212","0.004","1029.1","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Bis(η^5^-1-<i>tert</i>-butylindenyl)nickel(II)","","- C26 H30 Ni -","- C26 H30 Ni -","- C52 H60 Ni2 -","2","1","IM2294","Bauer, Heiko; Sun, Yu; Sitzmann, Helmut","Bis(η^5^-1-<i>tert</i>-butylindenyl)nickel(II)","Acta Crystallographica Section E","2011","67","9","m1184","","10.1107/S1600536811028510","","","1.54184","CuKα","","0.0308","0.0266","","","0.0736","0.0752","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231553","11.2381","0.0001","12.5467","0.0001","13.3618","0.0001","66.038","0.001","68.586","0.001","71.955","0.001","1573.66","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Diaquatris[4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1- olato]neodymium(III) acetonitrile monosolvate","","- C26 H19 F9 N Nd O8 S3 -","- C26 H19 F9 N Nd O8 S3 -","- C52 H38 F18 N2 Nd2 O16 S6 -","2","1","IM2307","Barber, Patrick S.; de Bettencourt-Dias, Ana","Diaquatris[4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","9","m1188","m1189","10.1107/S1600536811030376","","","0.71073","MoKα","","0.0505","0.0347","","","0.0769","0.0883","","","","","","1.098","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2231554","11.266","0.0014","12.857","0.0009","24.527","0.003","90","","90","","90","","3552.7","0.7","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2-((<i>R</i>)-{2-[(<i>S</i>)-1-Benzylpyrrolidin-2- ylcarbonylazanidyl]phenyl}(phenyl)methylideneamino)-4-hydroxybutanoato- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^]nickel(II) toluene disolvate","","- C43 H45 N3 Ni O4 -","- C43 H45 N3 Ni O4 -","- C172 H180 N12 Ni4 O16 -","4","1","IM2308","Padělková, Zdeňka; Popkov, Alexander; Nádvorník, Milan","[2-((<i>R</i>)-{2-[(<i>S</i>)-1-Benzylpyrrolidin-2-ylcarbonylazanidyl]phenyl}(phenyl)methylideneamino)-4-hydroxybutanoato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^]nickel(II) toluene disolvate","Acta Crystallographica Section E","2011","67","9","m1258","m1259","10.1107/S1600536811031059","","","0.71073","MoKα","","0.07","0.0562","","","0.1283","0.1421","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231555","8.1339","0.0006","10.9639","0.0008","17.869","0.0011","81.251","0.006","82.239","0.006","87.937","0.006","1560.38","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-<i>N</i>-[2-(2-fluorobenzoyl)-4-nitrophenyl]-<i>N</i>- methylacetamide","","- C16 H12 Cl F N2 O4 -","- C16 H12 Cl F N2 O4 -","- C64 H48 Cl4 F4 N8 O16 -","4","2","IM2312","Siddaraju, B. P.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Raju, C. R.","2-Chloro-<i>N</i>-[2-(2-fluorobenzoyl)-4-nitrophenyl]-<i>N</i>-methylacetamide","Acta Crystallographica Section E","2011","67","9","o2537","o2538","10.1107/S1600536811034969","","","0.71073","MoKα","","0.1157","0.0657","","","0.144","0.1724","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231556","7.924","0.0003","7.98","0.0003","12.635","0.0006","105.98","0.002","104.119","0.001","99.138","0.001","722.67","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-4-(4-nitrobenzoyl)pyridinium perchlorate","","- C13 H11 Cl N2 O7 -","- C13 H11 Cl N2 O7 -","- C26 H22 Cl2 N4 O14 -","2","1","IM2313","Gruber, Tobias; Eissmann, Frank; Weber, Edwin; Schüürmann, Gerrit","1-Methyl-4-(4-nitrobenzoyl)pyridinium perchlorate","Acta Crystallographica Section E","2011","67","9","o2542","o2543","10.1107/S1600536811034945","","","0.71073","MoKα","","0.0336","0.0306","","","0.0894","0.0917","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231557","7.8522","0.0001","5.5151","0.0001","17.8918","0.0003","90","","108.536","0.001","90","","734.62","0.02","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1<i>E</i>,1'<i>E</i>)-4,4'-[1,1'-(Hydrazine-1,2-diylidene)bis(ethan-1- yl-1-ylidene)]diphenol dihydrate","4-[(1<i>E</i>)-1-[(<i>E</i>)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazin- 1-ylidene]ethyl]phenol","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C32 H40 N4 O8 -","2","0.5","IS2750","Chantrapromma, Suchada; Jansrisewangwong, Patcharaporn; Chanawanno, Kullapa; Fun, Hoong-Kun","(1<i>E</i>,1'<i>E</i>)-4,4'-[1,1'-(Hydrazine-1,2-diylidene)bis(ethan-1-yl-1-ylidene)]diphenol dihydrate","Acta Crystallographica Section E","2011","67","9","o2221","o2222","10.1107/S1600536811029679","","","0.71073","MoKα","","0.05","0.0461","","","0.1205","0.1246","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231558","10.7006","0.0003","6.5567","0.0002","17.9297","0.0006","90","","104.564","0.002","90","","1217.54","0.07","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(<i>tert</i>-Butoxycarbonyl)piperidine-4-carboxylic acid","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","IS2754","Fun, Hoong-Kun; Arshad, Suhana; Dinesh; Vivek, S.; Nagaraja, G. K.","1-(<i>tert</i>-Butoxycarbonyl)piperidine-4-carboxylic acid","Acta Crystallographica Section E","2011","67","9","o2215","","10.1107/S1600536811030145","","","0.71073","MoKα","","0.0479","0.0391","","","0.0871","0.0922","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231559","5.2115","0.0004","16.6905","0.0013","17.875","0.0014","90","","93.187","0.002","90","","1552.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)dibenzenesulfonamide","","- C14 H16 N2 O4 S2 -","- C14 H16 N2 O4 S2 -","- C56 H64 N8 O16 S8 -","4","1","IS2755","Al-Dajani, Mohammad T. M.; Talaat, Jamal; Mohamed, Nornisah; Hemamalini, Madhukar; Fun, Hoong-Kun","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)dibenzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2214","","10.1107/S1600536811030157","","","0.71073","MoKα","","0.0648","0.0421","","","0.1049","0.119","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231560","5.821","0.005","8.428","0.007","9.077","0.007","87.74","0.01","73.628","0.011","80.38","0.012","421.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(ethanolaminium) succinate‒succinic acid (1/1)","","- C12 H26 N2 O10 -","- C12 H26 N2 O10 -","- C12 H26 N2 O10 -","1","0.5","IS2756","Zhang, Miao; Wang, Cong; Fan, Zheng","Bis(ethanolaminium) succinate‒succinic acid (1/1)","Acta Crystallographica Section E","2011","67","9","o2504","","10.1107/S1600536811034428","","","0.71073","MoKα","","0.0382","0.0363","","","0.1036","0.1057","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231561","9.7349","0.0005","17.0241","0.0009","12.1068","0.0006","90","","90.24","0.002","90","","2006.42","0.18","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-Methylphenyl)-1-phenylsulfonyl-3-nitro-1,2-dihydroquinoline","","- C22 H18 N2 O4 S -","- C22 H18 N2 O4 S -","- C88 H72 N8 O16 S4 -","4","1","IS2758","Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Manivannan, V.","2-(4-Methylphenyl)-1-phenylsulfonyl-3-nitro-1,2-dihydroquinoline","Acta Crystallographica Section E","2011","67","9","o2225","","10.1107/S1600536811030455","","","0.71073","MoKα","","0.089","0.0479","","","0.1269","0.1505","","","","","","1.026","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231562","12.326","0.002","37.226","0.006","3.8726","0.0007","90","","90","","90","","1776.9","0.5","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4,4'-Dibromo-2,2'-[1,3-phenylenebis(nitrilomethanylylidene)]diphenol","4-bromo-2-(N-{3-[(4-bromo-2- hydroxyphenyl)methylideneamino]phenyl}carboximidoyl)phenol","","- C20 H14 Br2 N2 O2 -","- C20 H14 Br2 N2 O2 -","- C80 H56 Br8 N8 O8 -","4","0.5","IS2759","Ha, Kwang","4,4'-Dibromo-2,2'-[<i>m</i>-phenylenebis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2011","67","9","o2234","","10.1107/S1600536811030431","","","0.71073","MoKα","","0.099","0.0457","","","0.0795","0.0998","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231563","5.1756","0.0007","8.4877","0.0012","18.565","0.003","90","","90.611","0.002","90","","815.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Dioxo-1-(prop-2-ynyl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde","","- C8 H6 N2 O3 -","- C8 H6 N2 O3 -","- C32 H24 N8 O12 -","4","1","IS2760","He, Yan; Cui, Liang-Yan; Zhang, Xin-Ying","2,4-Dioxo-1-(prop-2-ynyl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde","Acta Crystallographica Section E","2011","67","9","o2350","","10.1107/S1600536811032272","","","0.71073","MoKα","","0.048","0.04","","","0.1163","0.1231","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231564","14.8537","0.0003","20.5009","0.0004","19.5952","0.0003","90","","127.043","0.001","90","","4762.78","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2-Aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C216 H228 N12 O48 -","12","3","IS2761","Chantrapromma, Suchada; Ruanwas, Pumsak; Fun, Hoong-Kun","(<i>E</i>)-1-(2-Aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2485","o2486","10.1107/S1600536811033861","","","0.71073","MoKα","","0.1119","0.0645","","","0.1102","0.1244","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231565","9.1807","0.0007","10.991","0.0008","13.2477","0.0008","90","","115.582","0.004","90","","1205.72","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,6-Difluorophenyl)(4-methylpiperidin-1-yl)methanone","","- C13 H15 F2 N O -","- C13 H15 F2 N O -","- C52 H60 F8 N4 O4 -","4","1","IS2763","Al-Dajani, Mohammad T. M.; Adballah, Hassan H.; Mohamed, Nornisah; Hemamalini, Madhukar; Fun, Hoong-Kun","(2,6-Difluorophenyl)(4-methylpiperidin-1-yl)methanone","Acta Crystallographica Section E","2011","67","9","o2409","","10.1107/S1600536811033848","","","0.71073","MoKα","","0.0587","0.0447","","","0.1232","0.1358","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231566","13.9691","0.0011","5.2811","0.0004","12.164","0.001","90","","93.791","0.002","90","","895.4","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","naphthalen-1-aminium chloride","","- C10 H10 Cl N -","- C10 H10 Cl N -","- C40 H40 Cl4 N4 -","4","1","IS2764","Al-Dajani, Mohammad T. M.; Adballah, Hassan H.; Mohamed, Nornisah; Hemamalini, Madhukar; Fun, Hoong-Kun","Naphthalen-1-aminium chloride","Acta Crystallographica Section E","2011","67","9","o2365","","10.1107/S1600536811032569","","","0.71073","MoKα","","0.0515","0.0357","","","0.089","0.0996","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231567","15.126","0.0017","10.3044","0.0011","26.398","0.003","90","","102.275","0.002","90","","4020.4","0.8","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1-benzyl-3-methylimidazolium-κ<i>C</i>^2^)mercury(II) bis(hexafluoridophosphate)","","- C22 H24 F12 Hg N4 P2 -","- C22 H24 F12 Hg N4 P2 -","- C132 H144 F72 Hg6 N24 P12 -","6","1.5","IS2765","Haque, Rosenani A.; Salman, Abbas Washeel; Hemamalini, Madhukar; Fun, Hoong-Kun","Bis(1-benzyl-3-methylimidazolium-κ<i>C</i>^2^)mercury(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2011","67","9","m1242","m1243","10.1107/S1600536811032235","","","0.71073","MoKα","","0.0429","0.0316","","","0.078","0.0869","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231568","9.5413","0.0009","17.156","0.0016","4.9954","0.0004","90","","95.19","0.02","90","","814.35","0.13","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Amino-1,8-naphthyridin-2(1<i>H</i>)-one monohydrate","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C32 H36 N12 O8 -","4","1","IS2766","Li, Zhen","7-Amino-1,8-naphthyridin-2(1<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2011","67","9","o2541","","10.1107/S1600536811033599","","","0.71073","MoKα","","0.0923","0.0633","","","0.1523","0.171","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231569","4.0268","0.0002","15.3793","0.0007","19.6627","0.0009","90","","94.613","0.003","90","","1213.75","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dimethyl-4-nitroso-1<i>H</i>-pyrazole","","- C5 H7 N3 O -","- C5 H7 N3 O -","- C40 H56 N24 O8 -","8","2","JH2317","Safyanova, Inna; Dudarenko, Nikolay M.; Pavlenko, Vadim A.; Iskenderov, Turganbay S.; Haukka, Matti","3,5-Dimethyl-4-nitroso-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","9","o2520","o2521","10.1107/S1600536811033794","","","0.71073","MoKα","","0.072","0.0413","","","0.0973","0.1092","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231570","13.8502","0.0007","13.8502","0.0007","26.28","0.003","90","","90","","90","","5041.2","0.7","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","<i>cyclo</i>-Tetrakis(μ-3-acetyl-4-methyl-1<i>H</i>-pyrazole-5-carboxylato- κ^4^<i>N</i>^2^,<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^5^)tetrakis[aquacopper(II)] tetradecahydrate","","- C28 H60 Cu4 N8 O30 -","- C28 H60 Cu4 N8 O30 -","- C112 H240 Cu16 N32 O120 -","4","0.25","JH2318","Malinkin, Sergey; Golenya, Irina A.; Pavlenko, Vadim A.; Haukka, Matti; Iskenderov, Turganbay S.","<i>cyclo</i>-Tetrakis(μ-3-acetyl-4-methyl-1<i>H</i>-pyrazole-5-carboxylato-κ^4^<i>N</i>^2^,<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^5^)tetrakis[aquacopper(II)] tetradecahydrate","Acta Crystallographica Section E","2011","67","9","m1260","m1261","10.1107/S1600536811030832","","","0.71073","MoKα","","0.0476","0.0337","","","0.0877","0.0965","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231571","10.8039","0.0005","12.6209","0.0007","8.1704","0.0003","90","","94.6473","0.0015","90","","1110.41","0.09","290","1","290","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Niobium vanadium nonaselenide","","- Nb5.65 Se36 V2.35 -","- Nb1.412 Se9 V0.588 -","- Nb5.648 Se36 V2.352 -","4","0.5","JJ2093","Lee, Eunsil; Yun, Hoseop","A new mixed group 5 metal selenide, Nb~1.41~V~0.59~Se~9~","Acta Crystallographica Section E","2011","67","9","i50","","10.1107/S1600536811033319","","","0.71073","MoKα","","0.0267","0.0223","","","","0.0514","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231572","8.8858","0.0008","9.9311","0.0009","11.1978","0.001","101.158","0.001","94.697","0.001","99.092","0.001","950.83","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Mo2(OOCC6F5)4(C10H8N2)","<i>catena</i>-Poly[[tetrakis(μ-pentafluorobenzoato- κ^2^<i>O</i>:<i>O'</i>)dimolybdenum(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N'</i>]","","- C38 H8 F20 Mo2 N2 O8 -","- C38 H8 F20 Mo2 N2 O8 -","- C38 H8 F20 Mo2 N2 O8 -","1","0.5","JJ2094","Han, Li-Juan","<i>catena</i>-Poly[[tetrakis(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')dimolybdenum(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","9","m1235","m1236","10.1107/S1600536811031734","","","0.71073","MoKα","","0.0262","0.0239","","","0.0592","0.0606","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231573","11.3661","0.0011","10.0239","0.0009","8.947","0.0007","90","","109.988","0.001","90","","957.95","0.15","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","<i>N</i>,<i>N</i>'-Bis(2,5-dichlorophenyl)isophthalamide","<i>N</i>,<i>N</i>'-bis(2,5-dichlorophenyl)benzene-1,3-dicarboxamide","","- C20 H12 Cl4 N2 O2 -","- C20 H12 Cl4 N2 O2 -","- C40 H24 Cl8 N4 O4 -","2","0.5","JJ2095","Zhu, Ruitao; Dong, Jinlong; Zuo, Yu; Ren, Yuehong","<i>N</i>,<i>N</i>'-Bis(2,5-dichlorophenyl)isophthalamide","Acta Crystallographica Section E","2011","67","9","o2311","","10.1107/S1600536811031758","","","0.71073","MoKα","","0.0688","0.0415","","","0.0907","0.1104","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231574","11.42279","0.00016","11.42936","0.00018","21.4903","0.0003","90","","99.112","0.0014","90","","2770.26","0.07","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{2-[(2-hydroxy-2-methylpropyl)iminomethyl]-4-nitrophenolato}nickel(II) dimethylformamide monosolvate","","- C25 H33 N5 Ni O9 -","- C25 H33 N5 Ni O9 -","- C100 H132 N20 Ni4 O36 -","4","1","JJ2096","Ayikoé, Kouassi; Gultneh, Yilma; Butcher, Ray J.","Bis{2-[(2-hydroxy-2-methylpropyl)iminomethyl]-4-nitrophenolato}nickel(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","9","m1211","","10.1107/S1600536811031229","","","1.54184","CuKα","","0.0685","0.0549","","","0.1618","0.1741","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231575","10.4491","0.0006","11.6146","0.0007","11.7795","0.0007","96.167","0.001","90.34","0.001","113.83","0.001","1298.23","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","4,10-Bis(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazoniacyclododecane bis(perchlorate)","","- C20 H30 Cl2 N4 O8 S2 -","- C20 H30 Cl2 N4 O8 S2 -","- C40 H60 Cl4 N8 O16 S4 -","2","1","JJ2097","Wei, ZhenHong; You, XiuLi","4,10-Bis(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazoniacyclododecane bis(perchlorate)","Acta Crystallographica Section E","2011","67","9","o2384","","10.1107/S1600536811032715","","","0.71073","MoKα","","0.0568","0.0405","","","0.1029","0.1143","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231576","10.286","0.003","14.873","0.004","10.917","0.003","90","","99.296","0.003","90","","1648.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>P</i>,<i>P</i>-bis(pyrrolidin-1-yl)phosphinic amide","","- C15 H20 F2 N3 O2 P -","- C15 H20 F2 N3 O2 P -","- C60 H80 F8 N12 O8 P4 -","4","1","JJ2098","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","<i>N</i>-(2,6-Difluorobenzoyl)-<i>P</i>,<i>P</i>-bis(pyrrolidin-1-yl)phosphinic amide","Acta Crystallographica Section E","2011","67","9","o2444","","10.1107/S1600536811033216","","","0.71073","MoKα","","0.0633","0.0469","","","0.106","0.1188","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231577","16.684","0.002","16.042","0.002","13.7868","0.0019","90","","90","","90","","3690","0.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-Acetato-μ-(μ-5-chloro-2-{1,3-bis[2-(5-chloro- 2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)- bis[methanolnickel(II)] methanol monosolvate monohydrate","","- C32 H41 Cl3 N4 Ni2 O9 -","- C32 H41 Cl3 N4 Ni2 O9 -","- C128 H164 Cl12 N16 Ni8 O36 -","4","1","JJ2099","Khan, Ahmed Raza; Tesema, Yohannes; Butcher, Ray J.; Gultneh, Yilma","μ-Acetato-μ-(5-chloro-2-{1,3-bis[2-(5-chloro-2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)-bis[methanolnickel(II)] methanol monosolvate monohydrate","Acta Crystallographica Section E","2011","67","9","m1264","m1265","10.1107/S1600536811032727","","","0.71073","MoKα","","0.0466","0.0329","","","0.0598","0.0637","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231578","11.3555","0.0011","15.5452","0.0015","9.7642","0.001","90","","95.617","0.002","90","","1715.3","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[4-(7-Methoxy-2-oxo-2<i>H</i>-chromen-8-yl)-2-methylbutan-2- yl]propionamide","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","KJ2174","Amirthasanjeevi, L.; Ravi Kumar, K.; Rajan, S. S.","<i>N</i>-[4-(7-Methoxy-2-oxo-2<i>H</i>-chromen-8-yl)-2-methylbutan-2-yl]propionamide","Acta Crystallographica Section E","2011","67","9","o2518","","10.1107/S1600536811033149","","","0.71073","MoKα","","0.0518","0.0452","","","0.129","0.1361","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231579","16.904","0.005","4.8912","0.0013","12.676","0.004","90","","110.929","0.004","90","","978.9","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-carboxylate","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C40 H36 N4 O12 S4 -","4","1","KJ2180","Wang, Xiang-hui; Yang, Jian-xin; You, Cheng-hang; Lin, Qiang","Ethyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-carboxylate","Acta Crystallographica Section E","2011","67","9","o2238","","10.1107/S1600536811029199","","","0.71073","MoKα","","0.0481","0.038","","","0.0945","0.1014","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231580","10.1254","0.0003","8.8384","0.0003","16.2117","0.0004","90","","100.883","0.0018","90","","1424.73","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis(chlorido{2-[(4-ethylphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}copper(II))","","- C28 H28 Cl4 Cu2 N4 -","- C28 H28 Cl4 Cu2 N4 -","- C56 H56 Cl8 Cu4 N8 -","2","0.5","KJ2183","Dehghanpour, Saeed; Mahmoudi, Ali; Khalaj, Mehdi; Abbasi, Somayeh; Mojahed, Fresia","Di-μ-chlorido-bis(chlorido{2-[(4-ethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}copper(II))","Acta Crystallographica Section E","2011","67","9","m1296","","10.1107/S1600536811032053","","","0.71073","MoKα","","0.057","0.0372","","","0.0802","0.0901","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231581","9.9656","0.0012","16.1791","0.0017","11.6239","0.0013","90","","113.575","0.001","90","","1717.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-2-{[1-(1-Adamantyl)ethyl]iminomethyl}-5-methoxyphenol","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","KP2341","Jin, Xu-Dong; Wang, Hai-Bo; Jin, Yue-Hong","<i>rac</i>-2-{[1-(1-Adamantyl)ethyl]iminomethyl}-5-methoxyphenol","Acta Crystallographica Section E","2011","67","9","o2233","","10.1107/S1600536811030522","","","0.71073","MoKα","","0.0917","0.0462","","","0.1015","0.1366","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231582","6.791","0.013","8.185","0.016","18.66","0.04","90","","90","","90","","1037","4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(3,3,4,4-Tetrafluoropyrrolidin-1-yl)aniline","","- C10 H10 F4 N2 -","- C10 H10 F4 N2 -","- C40 H40 F16 N8 -","4","1","LD2018","Cao, Wanwan; Zhong, Jun-wen; Wang, Jin; Liu, Pei-lian; Zeng, Zhuo","2-(3,3,4,4-Tetrafluoropyrrolidin-1-yl)aniline","Acta Crystallographica Section E","2011","67","9","o2220","","10.1107/S1600536811030339","","","0.71073","MoKα","","0.0919","0.0405","","","0.0906","0.1116","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231583","4.7606","0.0004","22.415","0.002","10.7008","0.0015","90","","92.566","0.013","90","","1140.7","0.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methyl-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","LD2020","Cai, Mingjian; Wang, Xiuge; Sun, Tao","4-Methyl-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2011","67","9","o2218","","10.1107/S1600536811030297","","","0.71073","MoKα","","0.0476","0.0397","","","0.0929","0.0975","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231584","12.0621","0.0011","7.9521","0.0008","14.9913","0.0015","90","","102.858","0.001","90","","1401.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-(1,2-Dichlorovinyl)diphenylphosphine oxide","","- C14 H11 Cl2 O P -","- C14 H11 Cl2 O P -","- C56 H44 Cl8 O4 P4 -","4","1","LD2021","Ma, Jing-Ya; Feng, Qing-Qin; Wu, Ming-Shu","(<i>Z</i>)-(1,2-Dichlorovinyl)diphenylphosphine oxide","Acta Crystallographica Section E","2011","67","9","o2267","","10.1107/S1600536811030765","","","0.71073","MoKα","","0.047","0.0347","","","0.0831","0.0936","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231585","13.542","0.003","6.1544","0.0015","27.62","0.007","90","","90","","90","","2301.9","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-[(6-Bromopyridin-2-yl)methylidene]-4-methylaniline","","- C13 H11 Br N2 -","- C13 H11 Br N2 -","- C104 H88 Br8 N16 -","8","1","LD2022","Cai, Mingjian; Ma, Penggao; Wang, Xiuge; Sun, Tao","(<i>E</i>)-<i>N</i>-[(6-Bromopyridin-2-yl)methylidene]-4-methylaniline","Acta Crystallographica Section E","2011","67","9","o2335","","10.1107/S1600536811031825","","","0.71073","MoKα","","0.0517","0.0396","","","0.0972","0.1044","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231586","9.6986","0.0005","13.0751","0.0006","14.3446","0.0005","90","","90","","90","","1819.04","0.14","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>rac</i>-Phenyl (benzylamido)(<i>p</i>-tolylamido)phosphinate","","- C20 H21 N2 O2 P -","- C20 H21 N2 O2 P -","- C80 H84 N8 O8 P4 -","4","1","LD2023","Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Nečas, Marek","<i>rac</i>-Phenyl (benzylamido)(<i>p</i>-tolylamido)phosphinate","Acta Crystallographica Section E","2011","67","9","o2523","","10.1107/S1600536811034465","","","0.71073","MoKα","","0.046","0.0408","","","0.0974","0.099","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231587","10.258","0.003","10.767","0.003","10.808","0.003","71.529","0.002","88.733","0.003","74.457","0.003","1088.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(chloroacetato-κ<i>O</i>)bis(trimethylsilylmethyl)tin(IV)","","- C12 H26 Cl2 O4 Si2 Sn -","- C12 H26 Cl2 O4 Si2 Sn -","- C24 H52 Cl4 O8 Si4 Sn2 -","2","1","LH5269","Ding, Rui-Fang; Wang, Qi-Bao","Bis(chloroacetato-κ<i>O</i>)bis(trimethylsilylmethyl)tin(IV)","Acta Crystallographica Section E","2011","67","9","m1190","","10.1107/S1600536811028649","","","0.71073","MoKα","","0.0389","0.0318","","","0.0833","0.0894","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231588","13.264","0.0005","5.339","0.0002","13.1792","0.0005","90","","110.27","0.001","90","","875.51","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(4-chlorobenzenesulfonamide)","4-chloro-<i>N</i>-[2-(4-chlorobenzenesulfonamido)ethyl]benzenesulfonamide","","- C14 H14 Cl2 N2 O4 S2 -","- C14 H14 Cl2 N2 O4 S2 -","- C28 H28 Cl4 N4 O8 S4 -","2","0.5","LH5285","Al-Dajani, Mohammad T. M.; Wahab, Habibah A.; Shamsuddin, Shaharum; Hemamalini, Madhukar; Fun, Hoong-Kun","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(4-chlorobenzenesulfonamide)","Acta Crystallographica Section E","2011","67","9","o2241","","10.1107/S1600536811028443","","","0.71073","MoKα","","0.0681","0.0544","","","0.1587","0.1754","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231589","15.0052","0.0015","8.4548","0.0008","15.4915","0.0015","90","","114.621","0.002","90","","1786.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2,2'-dimethyl-4'-[2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3- dihydro-1<i>H</i>,4'<i>H</i>-spiro[isoquinoline-4,5'-oxazole]-4'-carboxylate","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","LH5290","Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao","Methyl 2,2'-dimethyl-4'-[2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1<i>H</i>,4'<i>H</i>-spiro[isoquinoline-4,5'-oxazole]-4'-carboxylate","Acta Crystallographica Section E","2011","67","9","o2216","o2217","10.1107/S1600536811030133","","","0.71073","MoKα","","0.0524","0.0419","","","0.1105","0.1195","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231590","17.1513","0.001","19.116","0.0011","9.263","0.0005","90","","97.59","0.001","90","","3010.4","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)phenol","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","2","LH5291","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Quah, Ching Kheng; Fun, Hoong-Kun","2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)phenol","Acta Crystallographica Section E","2011","67","9","o2243","o2244","10.1107/S1600536811030583","","","0.71073","MoKα","","0.0826","0.0584","","","0.1452","0.1579","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231591","11.402","0.009","23.521","0.009","25.44","0.007","90","","90","","90","","6823","6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>cyclo</i>-(Metsulfone-Leu-Ile-Pro-Pro-Phe-Phe-Val-Ile)","Cyclolinopeptide K butanol disolvate monohydrate","","- C64 H105 N9 O14 S -","- C64 H105 N9 O14 S -","- C256 H420 N36 O56 S4 -","4","1","LH5292","Jadhav, Pramodkumar; Schatte, Gabriele; Labiuk, Shaunivan; Burnett, Peta-Gaye; Li, Bonnie; Okinyo-Owiti, Denis; Reaney, Martin; Grochulski, Pawel; Fodje, Michel; Sammynaiken, Ramaswami","Cyclolinopeptide K butanol disolvate monohydrate","Acta Crystallographica Section E","2011","67","9","o2360","o2361","10.1107/S1600536811032363","","","0.68878","synchrotron","","0.0414","0.0389","","","0.0964","0.0976","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231592","5.9119","0.0003","10.7223","0.0007","26.6453","0.0015","79.736","0.003","89.813","0.003","75.518","0.003","1607.67","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(4-Methoxybenzenesulfonamido)methyl]cyclohexane-1-carboxylic acid","","- C15 H21 N O5 S -","- C15 H21 N O5 S -","- C60 H84 N4 O20 S4 -","4","2","LH5293","Ashfaq, Muhammad; Iram, Samina; Akkurt, Mehmet; Khan, Islam Ullah; Mustafa, Ghulam; Danish, Muhammad","4-[(4-Methoxybenzenesulfonamido)methyl]cyclohexane-1-carboxylic acid","Acta Crystallographica Section E","2011","67","9","o2248","o2249","10.1107/S1600536811030650","","","0.71073","MoKα","","0.1041","0.0699","","","0.1862","0.2175","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231593","23.0097","0.0008","7.004","0.0002","12.4483","0.0004","90","","107.493","0.002","90","","1913.39","0.11","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>^1^,<i>N</i>^3^-Bis(pyridin-3-ylmethyl)isophthalamide dihydrate","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","0.5","LH5294","Dong, Ying-ying; Cao, Xi-chuan","<i>N</i>^1^,<i>N</i>^3^-Bis(pyridin-3-ylmethyl)isophthalamide dihydrate","Acta Crystallographica Section E","2011","67","9","o2339","","10.1107/S1600536811031965","","","0.71073","MoKα","","0.0481","0.0385","","","0.1053","0.113","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231594","4.2891","0.0002","17.3341","0.0009","20.5732","0.001","90","","90","","90","","1529.57","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(2-Hydroxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","LH5295","Fun, Hoong-Kun; Suwunwong, Thitipone; Chanawanno, Kullapa; Wisitsak, Pitikan; Chantrapromma, Suchada","(<i>E</i>)-1-(2-Hydroxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2287","o2288","10.1107/S1600536811031382","","","0.71073","MoKα","","0.0594","0.0413","","","0.0867","0.0951","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231595","10.4847","0.0002","10.8571","0.0003","14.8431","0.0003","77.447","0.001","82.283","0.001","85.908","0.001","1632.76","0.06","100","2","100","2","","","","","","","","3","P 1","P 1","1","","1,2-Bis{[3,5-bis(2,6-diisopropylphenyl)phenyl]imino}acenaphthene toluene monosolvate","","- C79 H88 N2 -","- C79 H88 N2 -","- C79 H88 N2 -","1","1","LH5296","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","1,2-Bis{[3,5-bis(2,6-diisopropylphenyl)phenyl]imino}acenaphthene toluene monosolvate","Acta Crystallographica Section E","2011","67","9","o2280","","10.1107/S1600536811031242","","","1.54178","CuKα","","0.06","0.0589","","","0.1618","0.1631","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231596","8.512","0.003","11.513","0.003","16.501","0.006","101.456","0.018","97.471","0.013","99.505","0.017","1540.8","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis[3,5-bis(2,6-diisopropylphenyl)phenyl]butane-2,3-diimine","","- C64 H80 N2 -","- C64 H80 N2 -","- C64 H80 N2 -","1","0.5","LH5297","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","<i>N</i>,<i>N</i>'-Bis[3,5-bis(2,6-diisopropylphenyl)phenyl]butane-2,3-diimine","Acta Crystallographica Section E","2011","67","9","o2281","","10.1107/S1600536811031254","","","0.71073","MoKα","","0.0874","0.0686","","","0.1831","0.1966","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231597","6.1778","0.0001","10.0392","0.0002","10.8828","0.0002","104.537","0.001","106.435","0.001","90.002","0.001","624.81","0.02","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","8-(Naphthalen-1-yl)quinoline","","- C19 H13 N -","- C19 H13 N -","- C38 H26 N2 -","2","1","LH5298","Kanu, Godwin; Lalancette, Roger A.; Vitale, Dale E.","8-(Naphthalen-1-yl)quinoline","Acta Crystallographica Section E","2011","67","9","o2522","","10.1107/S1600536811034052","","","1.54178","CuKα","","0.052","0.044","","","0.123","0.131","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231598","26.5036","0.0008","28.9987","0.0014","6.2193","0.0001","90","","90","","90","","4780","0.3","200","2","200","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(<i>E</i>)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C192 H208 N80 O32 -","16","1","LH5299","Booysen, Irvin; Hlela, Thulani; Ismail, Muhammed; Gerber, Thomas; Hosten, Eric; Betz, Richard","(<i>E</i>)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","9","o2289","","10.1107/S1600536811031618","","","0.71073","MoKα","","0.0625","0.0386","","","0.0739","0.0791","","","","","","0.938","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231599","6.1933","0.0007","4.7441","0.0005","21.8572","0.0019","90","","99.108","0.003","90","","634.1","0.11","297","2","297","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>E</i>)-2-(4-Bromobenzylidene)indan-1-one","","- C16 H11 Br O -","- C16 H11 Br O -","- C32 H22 Br2 O2 -","2","1","LH5300","Ali, Mohamed Ashraf; Ismail, Rusli; Choon, Tan Soo; Loh, Wan-Sin; Fun, Hoong-Kun","(<i>E</i>)-2-(4-Bromobenzylidene)indan-1-one","Acta Crystallographica Section E","2011","67","9","o2306","o2307","10.1107/S1600536811031746","","","0.71073","MoKα","","0.0395","0.0265","","","0.0538","0.0574","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231600","8.474","0.002","12.464","0.003","13.41","0.004","62.942","0.004","73.187","0.004","83.746","0.004","1207","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-Cyclopropyl-<i>N</i>-[2-(2,4-difluorophenyl)-2-hydroxy- 3-(1<i>H</i>-1,2,4-triazol-1-yl)propyl]-2-(5-methyl-2,4-dioxo- 1,2,3,4-tetrahydropyrimidin-1-yl)acetamide dichloromethane 0.62-solvate","","- C21.62 H23.24 Cl1.24 F2 N6 O4 -","- C21.618 H23.236 Cl1.236 F2 N6 O4 -","- C43.236 H46.472 Cl2.472 F4 N12 O8 -","2","1","LH5302","Wang, Nan; Guo, Huan-Mei; Hou, Gui-Ge; Hu, Xin-Yue; Meng, Qing-Guo","<i>N</i>-Cyclopropyl-<i>N</i>-[2-(2,4-difluorophenyl)-2-hydroxy-1-(1<i>H</i>-1,2,4-triazol-1-yl)propyl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide dichloromethane 0.62-solvate","Acta Crystallographica Section E","2011","67","9","o2464","","10.1107/S1600536811034295","","","0.71073","MoKα","","0.1229","0.092","","","0.1939","0.2092","","","","","","1.164","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231601","9.5891","0.0008","9.9259","0.0007","10.2543","0.0008","89.509","0.006","74.945","0.007","79.921","0.006","927.27","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloroacetyl)-<i>N</i>,<i>N</i>'- dimethylphosphoric triamide","","- C18 H23 Cl N3 O2 P -","- C18 H23 Cl N3 O2 P -","- C36 H46 Cl2 N6 O4 P2 -","2","1","LH5303","Pourayoubi, Mehrdad; Keikha, Mojtaba; Nečas, Marek","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloroacetyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide","Acta Crystallographica Section E","2011","67","9","o2439","","10.1107/S1600536811033204","","","0.71073","MoKα","","0.0426","0.0313","","","0.0802","0.0826","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231602","12.872","0.003","7.613","0.002","20.695","0.003","90","","98.931","0.003","90","","2003.4","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[3-Chloro-<i>N</i>'-(2-oxidonaphthalen-1- ylmethylidene)benzohydrazidato]methanol(methanolato)oxidovanadium(V)","","- C20 H18 Cl N2 O5 V -","- C20 H18 Cl N2 O5 V -","- C80 H72 Cl4 N8 O20 V4 -","4","1","LH5304","Wang, Fu-Ming","[3-Chloro-<i>N</i>'-(2-oxidonaphthalen-1-ylmethylidene)benzohydrazidato]methanol(methanolato)oxidovanadium(V)","Acta Crystallographica Section E","2011","67","9","m1254","","10.1107/S1600536811032703","","","0.71073","MoKα","","0.0676","0.0419","","","0.0962","0.109","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231603","9.9913","0.0002","23.1642","0.0005","10.4317","0.0002","90","","95.687","0.002","90","","2402.43","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","8-Hydroxy-2-methylquinolinium dichlorido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate acetonitrile disolvate","","- C24 H24 Cl2 N4 O2 Zn -","- C24 H24 Cl2 N4 O2 Zn -","- C96 H96 Cl8 N16 O8 Zn4 -","4","1","LH5305","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","8-Hydroxy-2-methylquinolinium dichlorido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate acetonitrile disolvate","Acta Crystallographica Section E","2011","67","9","m1280","","10.1107/S1600536811032338","","","0.71073","MoKα","","0.0392","0.0292","","","0.0653","0.0699","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231604","7.187","0.0003","9.7795","0.0005","16.252","0.0007","86.159","0.004","80.775","0.004","85.098","0.004","1121.73","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","8-Hydroxy-2-methylquinolinium dibromido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate acetonitrile monosolvate","","- C22 H21 Br2 N3 O2 Zn -","- C22 H21 Br2 N3 O2 Zn -","- C44 H42 Br4 N6 O4 Zn2 -","2","1","LH5306","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","8-Hydroxy-2-methylquinolinium dibromido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","9","m1281","","10.1107/S160053681103234X","","","0.71073","MoKα","","0.0415","0.0312","","","0.0599","0.0645","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231605","8.1794","0.0002","13.9441","0.0003","9.1838","0.0002","90","","102.503","0.003","90","","1022.61","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","8-Hydroxy-2-methylquinolinium diiodido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate","","- C20 H18 I2 N2 O2 Zn -","- C20 H18 I2 N2 O2 Zn -","- C40 H36 I4 N4 O4 Zn2 -","2","1","LH5307","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","8-Hydroxy-2-methylquinolinium diiodido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate","Acta Crystallographica Section E","2011","67","9","m1282","","10.1107/S1600536811032351","","","0.71073","MoKα","","0.0363","0.0335","","","0.0865","0.0872","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231606","9.3359","0.0019","11.105","0.002","22.426","0.005","90","","90","","90","","2325","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)morpholine-4-carboxamide","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C88 H104 Cl8 N16 O16 -","8","1","LH5309","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)morpholine-4-carboxamide","Acta Crystallographica Section E","2011","67","9","o2492","","10.1107/S1600536811034611","","","0.71073","MoKα","","0.0555","0.0444","","","0.1162","0.1242","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231607","8.411","0.0004","8.4692","0.0004","13.2667","0.0007","99.905","0.004","95.341","0.004","110.549","0.005","859.58","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Chlorido(8-hydroxyquinoline-κ^2^<i>N</i>,<i>O</i>)(quinolin-8-olato- κ^2^<i>N</i>,<i>O</i>)zincate methanol monosolvate","","- C19 H17 Cl N2 O3 Zn -","- C19 H17 Cl N2 O3 Zn -","- C38 H34 Cl2 N4 O6 Zn2 -","2","1","LH5311","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Chlorido(8-hydroxyquinoline-κ^2^<i>N</i>,<i>O</i>)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc methanol monosolvate","Acta Crystallographica Section E","2011","67","9","m1283","","10.1107/S160053681103337X","","","0.71073","MoKα","","0.0448","0.0343","","","0.0748","0.0815","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231608","25.0498","0.0005","3.9799","0.0001","14.3267","0.0003","90","","90","","90","","1428.31","0.05","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(Pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","LH5312","Fun, Hoong-Kun; Suwunwong, Thitipone; Chantrapromma, Suchada","(<i>E</i>)-1-(Pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2406","o2407","10.1107/S1600536811033198","","","0.71073","MoKα","","0.0343","0.0329","","","0.0903","0.0913","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231609","11.4871","0.0011","12.4746","0.0013","13.2235","0.0016","86.65","0.002","67.54","0.001","77.715","0.001","1710.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3,5-Dimethyl-1<i>H</i>-pyrazole‒2-hydroxy-5-(phenyldiazenyl)benzoic acid (1/1)","","- C18 H18 N4 O3 -","- C18 H18 N4 O3 -","- C72 H72 N16 O12 -","4","2","LH5315","Xu, Yichao; Jin, Shouwen; Zhu, Jianlong; Liu, Ying-Jia; Shi, Chuan-Chuan","3,5-Dimethyl-1<i>H</i>-pyrazole‒2-hydroxy-5-(phenyldiazenyl)benzoic acid (1/1)","Acta Crystallographica Section E","2011","67","9","o2528","","10.1107/S1600536811034970","","","0.71073","MoKα","","0.1412","0.0501","","","0.1128","0.159","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231610","10.9752","0.0001","11.8342","0.0001","17.416","0.0002","90","","102.164","0.001","90","","2211.25","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-5-amino-2-nitrobenzoato- κ^2^<i>O</i>^1^:<i>O</i>^1'^]","","- C25 H20 N2 O4 Sn -","- C25 H20 N2 O4 Sn -","- C100 H80 N8 O16 Sn4 -","4","1","LH5316","Win, Yip-Foo; Choong, Chen-Shang; Teoh, Siang-Guan; Quah, Ching Kheng; Fun, Hoong-Kun","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-5-amino-2-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^]","Acta Crystallographica Section E","2011","67","9","m1276","m1277","10.1107/S1600536811033332","","","0.71073","MoKα","","0.0206","0.018","","","0.0441","0.0455","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231611","7.4348","0.0006","14.0589","0.0011","15.6401","0.0016","90","","90","","90","","1634.8","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[cyclopropane-1,3'-indolin]-2'-one","","- C10 H9 N O -","- C10 H9 N O -","- C80 H72 N8 O8 -","8","1","LH5317","Yuan, Maosen; Wang, Qi; Zhang, Yuejun; Wang, Junru","Spiro[cyclopropane-1,3'-indolin]-2'-one","Acta Crystallographica Section E","2011","67","9","o2456","","10.1107/S1600536811034167","","","0.71073","MoKα","","0.0612","0.0354","","","0.0831","0.1064","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231612","6.2309","0.0002","9.3918","0.0004","19.9175","0.0009","90","","90","","90","","1165.56","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzyl-1,3-dideoxy-1,3-imino-<i>L</i>-xylitol","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","LH5318","Jenkinson, Sarah F.; Lenagh-Snow, Gabriel M. J.; Fleet, George W. J.; Thompson, Amber L.","<i>N</i>-Benzyl-1,3-dideoxy-1,3-imino-<small>L</small>-xylitol","Acta Crystallographica Section E","2011","67","9","o2452","","10.1107/S160053681103399X","","","0.71073","MoKα","","0.0753","0.0448","","0.1022","0.0911","0.1022","","","","","","0.9505","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231613","6.1132","0.0002","12.2963","0.0004","14.6367","0.0005","90","","90","","90","","1100.24","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-Deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-L-galactono-1,5-lactone","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","LH5321","Jenkinson, Sarah F.; Parry, Loren L.; Wilson, Francis X.; Fleet, George W. J.; Watkin, David J.","6-Deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-<small>L</small>-galactono-1,5-lactone","Acta Crystallographica Section E","2011","67","9","o2531","o2532","10.1107/S1600536811034957","","","0.71073","MoKα","","0.0566","0.038","","0.0895","0.083","0.0895","","","","","","0.8894","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231614","8.6338","0.0001","19.4952","0.0002","10.9687","0.0001","90","","99.675","0.001","90","","1819.97","0.03","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-{[2-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)phenyl]iminomethyl-κ<i>N</i>}-5-methylphenolato-κ<i>O</i>)chloridozinc(II)","","- C21 H16 Cl N3 O Zn -","- C21 H16 Cl N3 O Zn -","- C84 H64 Cl4 N12 O4 Zn4 -","4","1","LH6598","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun","(2-{[2-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)phenyl]iminomethyl-κ<i>N</i>}-5-methylphenolato-κ<i>O</i>)chloridozinc(II)","Acta Crystallographica Section E","2011","67","9","m1182","m1183","10.1107/S1600536811030170","","","0.71073","MoKα","","0.0771","0.0417","","","0.0764","0.0882","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231615","8.751","0.004","10.681","0.005","13.63","0.007","97.956","0.005","91.951","0.004","93.615","0.005","1258","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,4-Bis[4-(4-methoxyphenoxy)phenyl]-1-methyl-1<i>H</i>-pyrrole-2,5-dione","","- C31 H25 N O6 -","- C31 H25 N O6 -","- C62 H50 N2 O12 -","2","1","LR2020","Ma, Weili; Chen, Gang; Wang, Wenjing; Du, Zhenting","3,4-Bis[4-(4-methoxyphenoxy)phenyl]-1-methyl-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section E","2011","67","9","o2366","","10.1107/S1600536811032594","","","0.71073","MoKα","","0.0803","0.0495","","","0.1161","0.1324","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231616","7.94","0.006","12.602","0.009","20.233","0.015","90","","90","","90","","2025","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-{1-[2-(2-Chlorophenyl)hydrazinylidene]-2,2,2-trifluoroethyl}- 7-diethylamino-2<i>H</i>-chromen-2-one","","- C21 H19 Cl F3 N3 O2 -","- C21 H19 Cl F3 N3 O2 -","- C84 H76 Cl4 F12 N12 O8 -","4","1","LR2022","Chen, Hao; Cai, Li; Yu, Chaochao; Li, Hongqi","3-{1-[2-(2-Chlorophenyl)hydrazinylidene]-2,2,2-trifluoroethyl}-7-diethylamino-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","9","o2344","","10.1107/S1600536811031916","","","0.71073","MoKα","","0.0387","0.0321","","","0.074","0.0779","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231617","4.8246","0.001","9.766","0.002","28.024","0.007","90","","90","","90","","1320.4","0.5","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(Naphthalen-1-ylmethylidene)amino]-5-methylphenol","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","LR2024","Orona, Gabriella; Molinar, Vanessa; Fronczek, Frank R.; Isovitsch, Ralph","2-[(Naphthalen-1-ylmethylidene)amino]-5-methylphenol","Acta Crystallographica Section E","2011","67","9","o2505","o2506","10.1107/S1600536811034556","","","0.71073","MoKα","","0.067","0.041","","","0.082","0.09","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231618","8.678","0.003","9.818","0.003","17.088","0.005","90","","90","","90","","1455.9","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3,4,4-Tetrafluoro-1-[2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]pyrrolidine","","- C14 H12 F8 N2 -","- C14 H12 F8 N2 -","- C56 H48 F32 N8 -","4","0.5","LR2025","Wang, Jin; Zhong, Jun-Wen; Liu, Pei-Lian; Cao, Wan-Wan; Zeng, Zhuo","3,3,4,4-Tetrafluoro-1-[2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]pyrrolidine","Acta Crystallographica Section E","2011","67","9","o2399","","10.1107/S1600536811033757","","","0.71073","MoKα","","0.0947","0.071","","","0.1209","0.1286","","","","","","0.924","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231619","20.1213","0.0007","12.9178","0.0004","7.0122","0.0002","90","","90","","90","","1822.63","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","3,4,5-Trihydroxybenzohydrazidium perchlorate‒3,4,5-trihydroxybenzohydrazide‒ water (1/1/1)","(3,4,5-Trihydroxybenzamido)ammonium perchlorate‒3,4,5-trihydroxybenzohydrazide‒water (1/1/1)","","- C14 H19 Cl N4 O13 -","- C14 H19 Cl N4 O13 -","- C56 H76 Cl4 N16 O52 -","4","1","LX2194","A. Alhadi, Abeer; Khaledi, Hamid; Mohd Ali, Hapipah","3,4,5-Trihydroxybenzohydrazidium perchlorate‒3,4,5-trihydroxybenzohydrazide‒water (1/1/1)","Acta Crystallographica Section E","2011","67","9","o2229","o2230","10.1107/S1600536811030595","","","0.71073","MoKα","","0.0712","0.0488","","","0.0992","0.1086","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231620","16.9531","0.0008","3.929","0.0003","17.274","0.0008","90","","91.626","0.003","90","","1150.14","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)quinazolin-4(3<i>H</i>)-one","","- C14 H9 Cl N2 O -","- C14 H9 Cl N2 O -","- C56 H36 Cl4 N8 O4 -","4","1","LX2195","Priya, M. Gnana Ruba; Srinivasan, T.; Girija, K.; Chandran, N. Ravi; Velmurugan, D.","3-(4-Chlorophenyl)quinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","9","o2310","","10.1107/S1600536811030935","","","0.71073","MoKα","","0.0763","0.0431","","","0.1113","0.1331","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231621","6.8748","0.0002","13.3291","0.0004","16.8667","0.0005","90","","90","","90","","1545.58","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4-Methylphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","","- C19 H14 O2 S -","- C19 H14 O2 S -","- C76 H56 O8 S4 -","4","1","LX2197","Silambarasan, V.; Sundaramoorthy, S.; Sivasakthikumaran, R.; MohanaKrishnan, A. K.; Velmurugan, D.","(4-Methylphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","Acta Crystallographica Section E","2011","67","9","o2349","","10.1107/S1600536811032478","","","0.71073","MoKα","","0.0663","0.0515","","","0.1409","0.1537","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231622","5.9973","0.0005","10.1292","0.0013","15.6445","0.0017","90","","90.57","0.001","90","","950.32","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(<i>tert</i>-Butoxycarbonylamino)oxy]acetic acid","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","LX2198","Zhang, Jing-Yu; Tong, Yan; Wang, Shengqi","2-[(<i>tert</i>-Butoxycarbonylamino)oxy]acetic acid","Acta Crystallographica Section E","2011","67","9","o2324","","10.1107/S1600536811031990","","","0.71073","MoKα","","0.1039","0.0682","","","0.1747","0.2102","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231623","4.6218","0.0019","11.621","0.005","20.51","0.009","90","","90","","90","","1101.6","0.8","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Isopropyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-carboxylate","","- C11 H11 N O3 S -","- C11 H11 N O3 S -","- C44 H44 N4 O12 S4 -","4","1","LX2199","Wang, Xiang-hui; Lin, Qiang; Yang, Jian-xin","Isopropyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-carboxylate","Acta Crystallographica Section E","2011","67","9","o2477","","10.1107/S1600536811034209","","","0.71073","MoKα","","0.056","0.039","","","0.0715","0.0779","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231624","7.5323","0.0004","10.7169","0.0006","15.4602","0.0009","90","","93.922","0.001","90","","1245.07","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-Dimethyl-1,1'-[2,2'-bipyridine-5,5'-diylbis(methylene)]diimidazol-3-ium bis(hexafluorophosphate)","","- C20 H22 F12 N6 P2 -","- C20 H22 F12 N6 P2 -","- C40 H44 F24 N12 P4 -","2","0.5","LX2201","Park, Sunhong; Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min","3,3'-Dimethyl-1,1'-[2,2'-bipyridine-5,5'-diylbis(methylene)]diimidazol-3-ium bis(hexafluorophosphate)","Acta Crystallographica Section E","2011","67","9","o2392","","10.1107/S160053681103340X","","","0.71073","MoKα","","0.0734","0.0395","","","0.0986","0.1165","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231625","11.2811","0.0019","10.0973","0.0017","12.875","0.002","90","","90.91","0.003","90","","1466.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[{μ~3~-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonato}silver(I)] trihydrate]","","- C8 H23 Ag N2 O7 S -","- C8 H23 Ag N2 O7 S -","- C32 H92 Ag4 N8 O28 S4 -","4","1","MW2014","Bilinovich, Stephanie M.; Panzner, Matthew J.; Youngs, Wiley J.; Leeper, Thomas C.","Poly[[{μ~3~-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonato}silver(I)] trihydrate]","Acta Crystallographica Section E","2011","67","9","m1178","m1179","10.1107/S160053681103008X","","","0.71073","MoKα","","0.0455","0.0357","","","0.0867","0.0898","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231626","24.5822","0.0012","6.1121","0.0003","16.5557","0.001","90","","121.119","0.006","90","","2129.5","0.2","120.2","","120","","","","","","","","","5","C 1 2 1","C 2y","5","4,4'-Diiodo-2,2'-[(3a<i>R</i>,7a<i>R</i>)-2,3,3a,4,5,6,7,7a-octahydro- 1<i>H</i>-1,3-benzimidazole-1,3-diyl)bis(methylene)]diphenol","2-({3-[(2-hydroxy-5-iodophenyl)methyl]-octahydro-1<i>H</i>- 1,3-benzodiazol-1-yl}methyl)-4-iodophenol","","- C21 H24 I2 N2 O2 -","- C21 H24 I2 N2 O2 -","- C84 H96 I8 N8 O8 -","4","1","NC2238","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","4,4'-Diiodo-2,2'-[(3a<i>R</i>,7a<i>R</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl)bis(methylene)]diphenol","Acta Crystallographica Section E","2011","67","9","o2256","","10.1107/S1600536811030054","","","1.5418","CuKα","","0.043","0.0401","","","0.1025","0.1063","","","","","","1.3","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231627","10.9209","0.0008","16.416","0.001","17.49","0.001","90","","105.26","0.006","90","","3025","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(3-chlorophenyl)malonamide","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C120 H96 Cl16 N16 O16 -","8","2","NC2242","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>,<i>N</i>'-Bis(3-chlorophenyl)malonamide","Acta Crystallographica Section E","2011","67","9","o2278","","10.1107/S1600536811031333","","","0.71073","MoKα","","0.1144","0.0469","","","0.0948","0.1136","","","","","","0.964","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231628","6.207","0.001","10.395","0.003","10.497","0.003","70.15","0.002","79.16","0.002","86.01","0.002","625.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(4-Chlorophenylsulfonyl)-2-methylpropanamide","","- C10 H12 Cl N O3 S -","- C10 H12 Cl N O3 S -","- C20 H24 Cl2 N2 O6 S2 -","2","1","NC2243","Nirmala, P. G.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chlorophenylsulfonyl)-2-methylpropanamide","Acta Crystallographica Section E","2011","67","9","o2274","","10.1107/S1600536811031394","","","0.71073","MoKα","","0.0896","0.0602","","","0.111","0.1262","","","","","","1.193","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231629","14.012","0.003","13.581","0.003","15.426","0.003","90","","103.65","0.03","90","","2852.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Acetato-diacetato{μ-6,6'-dimethoxy-2,2'-[<i>o</i>- phenylenebis(nitrilomethanylylidene)]diphenolato}gadolinium(III)zinc","","- C28 H27 Gd N2 O10 Zn -","- C28 H27 Gd N2 O10 Zn -","- C112 H108 Gd4 N8 O40 Zn4 -","4","1","NG5198","Yang, Fan; Li, Guang-Ming; Chen, Peng; Yan, Peng-Fei; Hou, Guang-Feng","μ-Acetato-diacetato{μ-6,6'-dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethanylylidene)]diphenolato}gadolinium(III)zinc","Acta Crystallographica Section E","2011","67","9","m1185","","10.1107/S160053681102890X","","","0.71073","MoKα","","0.0754","0.0409","","","0.0697","0.0784","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231630","11.1555","0.0002","7.2678","0.0001","19.7129","0.0003","90","","119.096","0.001","90","","1396.55","0.04","100","1","100","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","9-(pent-4-enyl)anthracene","9-(Pent-4-enyl)anthracene","","- C19 H18 -","- C19 H18 -","- C76 H72 -","4","1","NG5202","Arumugam, Natarajan; Almansour, Abdulrahman I.; Karama, Usama; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul","9-(Pent-4-enyl)anthracene","Acta Crystallographica Section E","2011","67","9","o2251","","10.1107/S1600536811030571","","","0.71073","MoKα","","0.0677","0.0494","","","0.1356","0.1507","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231631","8.253","0.003","8.363","0.003","9.571","0.003","64.431","0.006","65.839","0.007","87.403","0.007","536.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4,4'-Dibromo-2,2'-[octane-1,8-diylbis(nitrilomethanylylidene)]diphenol","4-bromo-2-[({8-[(5-hydroxy-2- methylphenyl)methylideneamino]octyl}imino)methyl]phenol","","- C22 H26 Br2 N2 O2 -","- C22 H26 Br2 N2 O2 -","- C22 H26 Br2 N2 O2 -","1","0.5","NG5205","Ha, Kwang","4,4'-Dibromo-2,2'-[octane-1,8-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2011","67","9","o2257","","10.1107/S1600536811030790","","","0.71073","MoKα","","0.1281","0.0664","","","0.1399","0.1759","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231632","10.341","0.002","24.977","0.005","9.8284","0.0019","90","","118.073","0.004","90","","2239.9","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diacetato-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-aqua(2,4,6-tri-2-pyridyl- 1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) monohydrate","","- C22 H22 Mn N6 O6 -","- C22 H22 Mn N6 O6 -","- C88 H88 Mn4 N24 O24 -","4","1","NG5206","Ha, Kwang","Diacetato-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-aqua(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) monohydrate","Acta Crystallographica Section E","2011","67","9","m1238","m1239","10.1107/S1600536811032016","","","0.71073","MoKα","","0.1222","0.0559","","","0.1169","0.1532","","","","","","0.995","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231633","9.8697","0.0002","28.7953","0.0007","14.3384","0.0003","90","","92.334","0.002","90","","4071.61","0.15","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η^6^-Isopropyl <i>N</i>-phenylcarbamate)(η^5^-pentamethylcyclopentadienyl)ruthenium(II) tetraphenylborate acetone monosolvate","","- C47 H54 B N O3 Ru -","- C47 H54 B N O3 Ru -","- C188 H216 B4 N4 O12 Ru4 -","4","1","NG5208","Loughrey, Bradley T.; Williams, Michael L.; Healy, Peter C.","(η^6^-Isopropyl <i>N</i>-phenylcarbamate)(η^5^-pentamethylcyclopentadienyl)ruthenium(II) tetraphenylborate acetone monosolvate","Acta Crystallographica Section E","2011","67","9","m1231","","10.1107/S1600536811031655","","","0.7107","MoKα","","0.0533","0.0479","","","0.1229","0.1263","","","","","","1.148","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231634","25.226","0.004","9.0666","0.0016","20.688","0.004","90","","113.4","0.003","90","","4342.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-acetamidobenzoate","","- C21 H22 Cl N5 O3 -","- C21 H22 Cl N5 O3 -","- C168 H176 Cl8 N40 O24 -","8","1","NG5209","Natarajan, Sampath; Mathews, Rita","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-acetamidobenzoate","Acta Crystallographica Section E","2011","67","9","o2357","o2358","10.1107/S1600536811032570","","","0.71073","MoKα","","0.0618","0.0462","","","0.1136","0.1232","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231635","17.0231","0.0004","12.62","0.0003","25.5527","0.0006","90","","90","","90","","5489.5","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>-[1,2-Bis(diphenylarsanyl)ethane- κ^2^<i>As</i>,<i>As</i>']tetracarbonylchromium(0)","","- C30 H24 As2 Cr O4 -","- C30 H24 As2 Cr O4 -","- C240 H192 As16 Cr8 O32 -","8","1","NG5210","Norlidah, M. N.; Azhar, M. Y.; Bin Shawkataly, Omar; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","<i>cis</i>-[1,2-Bis(diphenylarsanyl)ethane-κ^2^<i>As</i>,<i>As</i>']tetracarbonylchromium(0)","Acta Crystallographica Section E","2011","67","9","m1267","m1268","10.1107/S1600536811032314","","","0.71073","MoKα","","0.0443","0.0279","","","0.0581","0.0645","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231636","7.4964","0.0005","17.8845","0.0014","14.1931","0.0009","90","","115.144","0.003","90","","1722.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>μ</i>-Formato-<i>κ</i>^2^<i>O</i>:<i>O</i>')bis[dicarbonyl(<i>η</i>^5^- cyclopentadienyl)iron(II)] tetrafluoridoborate","","- C15 H11 B F4 Fe2 O6 -","- C15 H11 B F4 Fe2 O6 -","- C60 H44 B4 F16 Fe8 O24 -","4","1","NG5211","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Omondi, Bernard","(<i>{μ</i>}-Formato-<i>{κ</i>}^2^<i>O</i>:<i>O</i>')bis[dicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)iron(II)] tetrafluoridoborate","Acta Crystallographica Section E","2011","67","9","m1252","","10.1107/S1600536811032764","","","0.71073","MoKα","","0.0343","0.0277","","","0.0648","0.0686","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231637","11.9318","0.0008","18.0956","0.0008","15.8195","0.0008","90","","92.74","0.001","90","","3411.7","0.3","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Tetracarbonylbis[tris(4-fluorophenyl)phosphane- κ<i>P</i>]chromium(0)","","- C40 H24 Cr F6 O4 P2 -","- C40 H24 Cr F6 O4 P2 -","- C160 H96 Cr4 F24 O16 P8 -","4","0.5","NG5213","Norlidah, M. N.; Hamdya, F. M. Y.; Bin Shawkataly, Omar; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","<i>trans</i>-Tetracarbonylbis[tris(4-fluorophenyl)phosphane-κ<i>P</i>]chromium(0)","Acta Crystallographica Section E","2011","67","9","m1314","m1315","10.1107/S1600536811033939","","","0.71073","MoKα","","0.0287","0.0258","","","0.0714","0.0738","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231638","13.4421","0.0015","13.7754","0.0017","16.2418","0.0013","90","","115.813","0.004","90","","2707.4","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~3~-5-(pyridine-4-carboxamido)isophthalato]{μ~3~-5-[(pyridin-1-ium- 4-yl)carbonylamino]isophthalato}neodymium(III)] dihydrate]","","- C28 H21 N4 Nd O12 -","- C28 H21 N4 Nd O12 -","- C112 H84 N16 Nd4 O48 -","4","1","NG5214","Deng, Yi-Fang","Poly[[[μ~3~-5-(pyridine-4-carboxamido)isophthalato]{μ~3~-5-[(pyridin-1-ium-4-yl)carbonylamino]isophthalato}neodymium(III)] dihydrate]","Acta Crystallographica Section E","2011","67","9","m1298","","10.1107/S1600536811034532","","","0.71073","MoKα","","0.0421","0.0382","","","0.0983","0.1008","","","","","","1.066","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231639","10.751","0.002","13.721","0.003","11.385","0.002","90","","102.57","0.03","90","","1639.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(5-{6-[5-(Pyrazin-2-yl)-1<i>H</i>-1,2,4-triazol-3-yl]pyridin-2-yl}-1<i>H</i>- 1,2,4-triazol-3-yl)pyrazine","","- C17 H11 N11 -","- C17 H11 N11 -","- C68 H44 N44 -","4","1","NG5216","Xu, Zhouqing; Sun, Yanchun; Wang, Qiang","2-(5-{6-[5-(Pyrazin-2-yl)-1<i>H</i>-1,2,4-triazol-3-yl]pyridin-2-yl}-1<i>H</i>-1,2,4-triazol-3-yl)pyrazine","Acta Crystallographica Section E","2011","67","9","o2457","","10.1107/S1600536811034520","","","0.71073","MoKα","","0.073","0.0635","","","0.1199","0.1247","","","","","","1.221","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231640","11.3589","0.0006","12.2144","0.0006","14.1282","0.0008","99.111","0.003","91.116","0.003","114.381","0.003","1754.98","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato- κ^2^<i>O</i>,<i>O</i>')samarium(III)]","","- C78 H70 N4 O18 Sm2 -","- C78 H70 N4 O18 Sm2 -","- C78 H70 N4 O18 Sm2 -","1","0.5","NG5218","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Bis(μ-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')samarium(III)]","Acta Crystallographica Section E","2011","67","9","m1319","","10.1107/S1600536811034829","","","0.71073","MoKα","","0.0334","0.0288","","","0.0762","0.0785","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231641","28.171","0.002","5.554","0.001","22.102","0.001","90","","115.868","0.001","90","","3111.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[aquabis(<i>N</i>^6^-benzyladenine- κ<i>N</i>^3^)copper(II)]-μ-benzene-1,4-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C32 H28 Cu N10 O5 -","- C32 H28 Cu N10 O5 -","- C128 H112 Cu4 N40 O20 -","4","0.5","NK2102","Li, Wen-Bo","<i>catena</i>-Poly[[aquabis(<i>N</i>^6^-benzyladenine-κ<i>N</i>^3^)copper(II)]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section E","2011","67","9","m1249","m1250","10.1107/S1600536811032168","","","0.71073","MoKα","","0.0334","0.0287","","","0.0673","0.0691","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231642","9.4335","0.0008","11.1149","0.0009","19.4529","0.0014","103.062","0.004","98.098","0.004","95.197","0.005","1951.2","0.3","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","3,4,6,7,8,9-hexahydro-2<i>H</i>- pyrimido[1,2-<i>a</i>]pyrimidin-1-ium [1,3-bis(<i>tert</i>- butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate","","- C34 H57 N7 O4 Si2 -","- C34 H57 N7 O4 Si2 -","- C68 H114 N14 O8 Si4 -","2","1","NK2105","Schulz, Martin; Görls, Helmar; Westerhausen, Matthias","A hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium [1,3-bis(<i>tert</i>-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","9","o2396","","10.1107/S1600536811033927","","","0.71073","MoKα","","0.1814","0.0575","","","0.1054","0.1409","","","","","","0.924","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231643","8.3383","0.0004","8.6885","0.0004","10.5746","0.0005","85.975","0.002","80.806","0.002","73.003","0.002","723","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-[(2-Chlorobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene- 3-carbonitrile","","- C16 H13 Cl N2 S -","- C16 H13 Cl N2 S -","- C32 H26 Cl2 N4 S2 -","2","1","NK2106","Asiri, Abdullah M.; Khan, Salman A.; Tahir, M. Nawaz","2-[(2-Chlorobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2355","","10.1107/S1600536811032302","","","0.71073","MoKα","","0.0416","0.0369","","","0.0982","0.1048","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231644","11.882","0.0004","11.882","0.0004","17.68","0.0005","90","","90","","120","","2161.68","0.12","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","1-Iodotriptycene","9-iodo-9,10-dihydro-9,10[1',2']-benzenoanthracene","","- C20 H13 I -","- C20 H13 I -","- C120 H78 I6 -","6","0.333333","NK2107","Betz, Richard; McCleland, Cedric; Scheffer, André","1-Iodotriptycene","Acta Crystallographica Section E","2011","67","9","o2368","","10.1107/S160053681103279X","","","0.71069","MoKα","","0.0218","0.0214","","","0.059","0.0593","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231645","6.2459","0.0003","11.4238","0.0006","11.997","0.0006","64.082","0.005","77.793","0.004","82.756","0.004","751.95","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","<i>rac-cis</i>-Cyclohexane-1,2-dicarboxylic acid‒isoquinoline (1/1)","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","NK2108","Smith, Graham; Wermuth, Urs D.","<i>rac-cis</i>-Cyclohexane-1,2-dicarboxylic acid‒isoquinoline (1/1)","Acta Crystallographica Section E","2011","67","9","o2261","","10.1107/S1600536811030613","","","0.71073","MoKα","","0.0482","0.0383","","","0.0852","0.0899","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231646","12.7693","0.0003","10.4365","0.0002","16.3229","0.0004","90","","109.579","0.003","90","","2049.53","0.09","119.9","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Dimethoxy-2,2'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro- 1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","1","NR2009","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","4,4'-Dimethoxy-2,2'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2011","67","9","o2298","o2299","10.1107/S1600536811031436","","","1.5418","CuKα","","0.0482","0.0374","","","0.1004","0.1049","","","","","","1.7","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231647","5.0732","0.0004","11.8367","0.001","13.681","0.0011","90","","94.473","0.007","90","","819.04","0.12","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[copper(II)-bis(μ-2-ethyl-5-methylimidazole-4-sulfonato- κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^4'^)]","","- C12 H18 Cu N4 O6 S2 -","- C12 H18 Cu N4 O6 S2 -","- C24 H36 Cu2 N8 O12 S4 -","2","0.5","OM2453","Purdy, Andrew P.; Butcher, Ray J.","<i>catena</i>-Poly[copper(II)-bis(μ-2-ethyl-5-methylimidazole-4-sulfonato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^4'^)]","Acta Crystallographica Section E","2011","67","9","m1303","m1304","10.1107/S160053681103409X","","","1.54178","CuKα","","0.0682","0.0642","","","0.1772","0.1806","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231648","4.8358","0.0004","14.8218","0.0016","41.39","0.003","90","","90","","90","","2966.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Phenylethyl 1-thio-β-D-galactopyranoside monohydrate","","- C14 H21 O5.5 S -","- C14 H21 O5.5 S -","- C112 H168 O44 S8 -","8","2","OM2454","Brito, Iván; Szilágyi, László; Kumar, Ambati Ashok; Albanez, Joselyn; Bolte, Michael","2-Phenylethyl 1-thio-β-<small>D</small>-galactopyranoside hemihydrate","Acta Crystallographica Section E","2011","67","9","o2308","o2309","10.1107/S1600536811031667","","","0.71073","MoKα","","0.1395","0.0577","","","0.0885","0.1172","","","","","","0.677","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231649","12.3169","0.0009","18.0787","0.0015","8.3819","0.0005","90","","90","","90","","1866.4","0.2","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(<i>p</i>-toluenesulfonamide)","","- C17 H22 N2 O4 S2 -","- C17 H22 N2 O4 S2 -","- C68 H88 N8 O16 S8 -","4","","OM2455","Khan, Islam Ullah; Sheikh, Tahir Ali; Ejaz; Harrison, William T. A.","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(<i>p</i>-toluenesulfonamide)","Acta Crystallographica Section E","2011","67","9","o2371","","10.1107/S1600536811030820","","","0.71073","MoKα","","0.0324","0.0284","","","0.075","0.0781","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231650","9.846","0.001","12.646","0.002","16.006","0.002","90","","90","","90","","1992.9","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis{4-chloro-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate","","- C18 H20 Cl2 N2 Ni O5 -","- C18 H20 Cl2 N2 Ni O5 -","- C72 H80 Cl8 N8 Ni4 O20 -","4","1","OM2456","Wang, Chen-Yi; Ye, Jin-Yun; Wu, Xiang; Han, Zhi-Ping","Bis{4-chloro-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate","Acta Crystallographica Section E","2011","67","9","m1229","","10.1107/S1600536811031680","","","0.71073","MoKα","","0.0719","0.0387","","","0.0648","0.0755","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231651","11.4351","0.0004","12.2267","0.0004","12.6198","0.0004","94.103","0.002","94.081","0.002","97.591","0.002","1738.66","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","aqua[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](η^4^- cycloocta-1,5-diene)rhodium(I) tetrafluoridoborate","","- C35 H50 B F4 N2 O Rh -","- C35 H50 B F4 N2 O Rh -","- C70 H100 B2 F8 N4 O2 Rh2 -","2","1","OM2457","Huttenstine, Ashley L.; Rajaseelan, Edward; Oliver, Allen G.; Rood, Jeffrey A.","A cationic rhodium(I) N-heterocyclic carbene complex isolated as an aqua adduct","Acta Crystallographica Section E","2011","67","9","m1274","m1275","10.1107/S1600536811033125","","","0.71073","MoKα","","0.0504","0.0367","","","0.0622","0.0669","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231652","9.6795","0.0003","7.8677","0.0003","12.3213","0.0004","90","","105.816","0.002","90","","902.81","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3'-Diphenyl-1,1'-(butane-1,4-diyl)dithiourea","3-phenyl-1-{4-[(phenylcarbamothioyl)amino]butyl}thiourea","","- C18 H22 N4 S2 -","- C18 H22 N4 S2 -","- C36 H44 N8 S4 -","2","0.5","OM2458","Pansuriya, Pramod; Friedrich, Holger B.; Maguire, Glenn E. M.","3,3'-Diphenyl-1,1'-(butane-1,4-diyl)dithiourea","Acta Crystallographica Section E","2011","67","9","o2380","","10.1107/S1600536811033071","","","0.71073","MoKα","","0.0448","0.0337","","","0.0884","0.0929","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231653","15.36","0.003","12.508","0.003","10.593","0.002","90","","122.67","0.03","90","","1713.2","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate","","- C15 H22 N4 O5 -","- C15 H22 N4 O5 -","- C60 H88 N16 O20 -","4","0.5","OM2459","Brito, Iván; Vallejos, Javier; Cárdenas, Alejandro; López-Rodríguez, Matías","Propane-1,3-diaminium bis(pyridine-4-carboxylate) monohydrate","Acta Crystallographica Section E","2011","67","9","o2423","","10.1107/S1600536811033502","","","0.71073","MoKα","","0.0531","0.0459","","","0.1159","0.1217","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231654","35.188","0.008","17.641","0.004","12.793","0.003","90","","90","","90","","7941","3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","<i>cis</i>-aquaiodidobis(1,10-phenanthroline)cobalt(II) tris(1,10-phenanthroline)cobalt(II) <i>trans</i>-hexa-μ~2~-iodido-hexaiodidotribismuthate(III)","","- C60 H42 Bi3 Co2 I13 N10 O -","- C60 H40 Bi3 Co2 I13 N10 O -","- C240 H160 Bi12 Co8 I52 N40 O4 -","4","1","OM2460","Chen, Jiongke; Chai, Wenxiang; Song, Li; Yang, Yunyun; Niu, Feng","A double salt of iodobismuthate: <i>cis</i>-aquaiodidobis(1,10-phenanthroline)cobalt(II) tris(1,10-phenanthroline)cobalt(II) <i>trans</i>-hexa-μ~2~-iodido-hexaiodidotribismuthate(III)","Acta Crystallographica Section E","2011","67","9","m1284","m1285","10.1107/S1600536811033460","","","0.71075","MoKα","","0.0437","0.0372","","","0.0786","0.0824","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231655","8.928","0.0006","22.4518","0.0013","8.9473","0.0006","90","","109.058","0.007","90","","1695.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(2<i>H</i>-1,3-benzodioxol-5-yl)-9,10-dihydrophenanthrene-2,4- dicarbonitrile","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C92 H60 N12 O8 -","4","1","OM2463","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Amino-1-(2<i>H</i>-1,3-benzodioxol-5-yl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2011","67","9","o2438","","10.1107/S1600536811033563","","","0.71073","MoKα","","0.101","0.0647","","","0.143","0.1672","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231656","9.0388","0.0018","12.12","0.002","27.82","0.005","90","","91.883","0.003","90","","3046","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","triflusulfuron-methyl‒triazine amine (1/1)","methyl 2-{[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2- yl]carbamoylsulfamoyl}-3-methylbenzoate‒ 2-amino-4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (1/1)","","- C24 H29 F6 N11 O7 S -","- C24 H29 F6 N11 O7 S -","- C96 H116 F24 N44 O28 S4 -","4","1","PK2336","Mereiter, Kurt","A 1:1 co-crystal of the herbicide triflusulfuron-methyl and its degradation product triazine amine","Acta Crystallographica Section E","2011","67","9","o2321","o2322","10.1107/S1600536811031631","","","0.71073","MoKα","","0.0979","0.0587","","","0.1349","0.1523","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231657","7.7154","0.0015","8.0667","0.0016","16.369","0.003","100.12","0.03","91.64","0.03","112.38","0.03","922.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>- 1,2,4-triazole}sulfatocadmium dihydrate","","- C9 H20 Cd N6 O10 S -","- C9 H20 Cd N6 O10 S -","- C18 H40 Cd2 N12 O20 S2 -","2","1","PK2337","Li, Yu-xian; Li, Da-wei; Zhao, Dong","Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole}sulfatocadmium dihydrate","Acta Crystallographica Section E","2011","67","9","m1251","","10.1107/S1600536811032442","","","0.71073","MoKα","","0.0275","0.025","","","0.0556","0.0571","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231658","8.2235","0.0007","8.7144","0.0008","9.4553","0.0009","110.808","0.001","96.696","0.002","98.883","0.002","614.92","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Bis(cyanamide-κ<i>N</i>)[4-(1<i>H</i>-imidazol-1-yl)phenol- κ<i>N</i>^3^]bis(nitrato-κ<i>O</i>)copper(II)","","- C20 H20 Cu N10 O8 -","- C20 H20 Cu N10 O8 -","- C20 H20 Cu N10 O8 -","1","0.5","PK2338","Yu, Rui-Jin; Deng, Bin","Bis(cyanamide-κ<i>N</i>)[4-(1<i>H</i>-imidazol-1-yl)phenol-κ<i>N</i>^3^]bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","9","m1253","","10.1107/S1600536811032399","","","0.71073","MoKα","","0.0439","0.0409","","","0.1029","0.1049","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231659","22.673","0.002","12.5563","0.0008","17.3831","0.0017","90","","110.41","0.011","90","","4638.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl <i>N</i>-[4-(3-methyl-4,5-dihydrobenzo[<i>g</i>]indazol- 1-yl}phenylsulfonyl]thiocarbamate ethanol monosolvate","","- C23 H27 N3 O4 S2 -","- C23 H27 N3 O4 S2 -","- C184 H216 N24 O32 S16 -","8","2","PK2343","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","Ethyl <i>N</i>-[4-(3-methyl-4,5-dihydrobenzo[<i>g</i>]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate","Acta Crystallographica Section E","2011","67","9","o2450","","10.1107/S1600536811034076","","","0.71073","MoKα","","0.1793","0.0865","","","0.1839","0.2609","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231660","16.4467","0.0007","22.1873","0.0009","8.1033","0.0004","90","","90","","90","","2957","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2-(1-Adamantyl)-1-(3-aminophenyl)ethanol","","- C18 H25 N O -","- C18 H25 N O -","- C144 H200 N8 O8 -","8","1","PK2344","Rouchal, Michal; Kozubková, Zuzana; Nečas, Marek; Vícha, Robert","2-(1-Adamantyl)-1-(3-aminophenyl)ethanol","Acta Crystallographica Section E","2011","67","9","o2515","","10.1107/S1600536811034763","","","0.71073","MoKα","","0.0564","0.0318","","","0.065","0.0679","","","","","","0.85","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231661","9.6524","0.0002","17.5137","0.0005","15.8965","0.0004","90","","95.506","0.001","90","","2674.89","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl- 1<i>H</i>-pyrrole","diethyl {[1-(benzenesulfonyl)-3,4-dibromo-5- [(diethoxyphosphoryl)methyl]-1<i>H</i>-pyrrol-2-yl]methyl}phosphonate","","- C20 H29 Br2 N O8 P2 S -","- C20 H29 Br2 N O8 P2 S -","- C80 H116 Br8 N4 O32 P8 S4 -","4","1","PV2427","Karthikeyan, S.; Sethusankar, K.; Rajeswaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","3,4-Dibromo-2,5-bis[(diethoxyphosphoryl)methyl]-1-phenylsulfonyl-1<i>H</i>-pyrrole","Acta Crystallographica Section E","2011","67","9","o2212","o2213","10.1107/S1600536811030273","","","0.71073","MoKα","","0.0967","0.0448","","","0.1018","0.1209","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231662","16.6512","0.0011","11.2056","0.0007","17.9966","0.0011","90","","90","","90","","3357.9","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichlorido[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4- triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II)","","- C15 H14 Cl2 Cu N4 O -","- C15 H14 Cl2 Cu N4 O -","- C120 H112 Cl16 Cu8 N32 O8 -","8","1","PV2432","Cao, Shouping; Wang, Zuoxiang; Jin, Xiaofei","Dichlorido[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II)","Acta Crystallographica Section E","2011","67","9","m1273","","10.1107/S160053681103296X","","","0.71073","MoKα","","0.0493","0.0294","","","0.0627","0.0683","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231663","8.212","0.004","9.78","0.003","10.156","0.003","71.18","0.03","76.41","0.02","71.34","0.02","723.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-chloro-2'-fluoro-3-hydroxy-5-methylbiphenyl-2-carboxylate","","- C16 H14 Cl F O3 -","- C16 H14 Cl F O3 -","- C32 H28 Cl2 F2 O6 -","2","1","PV2433","Adeel, Muhammad; Langer, Peter; Villinger, Alexander","Ethyl 4-chloro-2'-fluoro-3-hydroxy-5-methylbiphenyl-2-carboxylate","Acta Crystallographica Section E","2011","67","9","o2336","","10.1107/S160053681103217X","","","0.71073","MoKα","","0.0647","0.0472","","","0.1318","0.1393","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231664","5.5842","0.0011","7.9485","0.0016","13.023","0.003","86.87","0.03","89.12","0.03","88.65","0.03","577","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-[(4-Chlorophenyl)aminomethyl]phenol","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C26 H24 Cl2 N2 O2 -","2","1","PV2434","Xu, Jie","2-[(4-Chlorophenyl)aminomethyl]phenol","Acta Crystallographica Section E","2011","67","9","o2364","","10.1107/S1600536811032557","","","0.71073","MoKα","","0.1352","0.0677","","","0.1546","0.1867","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231665","15.777","0.003","29.65","0.006","11.339","0.002","90","","90.9","0.03","90","","5303.6","1.7","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato- κ^2^<i>O</i>,<i>O</i>')yttrium(III)] [silver(I)-di-μ-sulfido-molybdenum(VI)-di-μ-sulfido]] yttrium(III)]","","- C24 H72 Ag Mo N14 O10 P4 S4 Y -","- C24 H72 Ag Mo N14 O10 P4 S4 Y -","- C96 H288 Ag4 Mo4 N56 O40 P16 S16 Y4 -","4","1","PV2435","Zhang, Jinfang","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')yttrium(III)] [silver(I)-di-μ-sulfido-molybdenum(VI)-di-μ-sulfido]]","Acta Crystallographica Section E","2011","67","9","m1206","m1207","10.1107/S1600536811030996","","","0.71073","MoKα","","0.0534","0.0447","","","0.087","0.0913","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231666","6.391","0.006","9.01","0.008","18.772","0.017","90","","98.701","0.017","90","","1068.5","1.7","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-(1-iminoethyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-olato- κ^2^<i>O</i>,<i>N</i>^4^]copper(II)","","- C24 H24 Cu N6 O2 -","- C24 H24 Cu N6 O2 -","- C48 H48 Cu2 N12 O4 -","2","0.5","PV2436","Zhu, Hualing; Wang, Zhan; Wei, Zhen; Bai, Yanan; Xv, Xiaoping","Bis[4-(1-iminoethyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-olato-κ^2^<i>O</i>,<i>N</i>^4^]copper(II)","Acta Crystallographica Section E","2011","67","9","m1208","","10.1107/S1600536811030753","","","0.71073","MoKα","","0.0806","0.0629","","","0.1231","0.136","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231667","7.4932","0.0005","11.5862","0.0007","18.5744","0.0012","90","","90","","90","","1612.59","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(3,4-Dimethoxyphenyl)-4-(2-methoxyanilino)furan-2(5<i>H</i>)-one","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","PV2437","Tian, Chun-Lian; Tian, Qijian","3-(3,4-Dimethoxyphenyl)-4-(2-methoxyanilino)furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","9","o2328","","10.1107/S1600536811031266","","","0.71073","MoKα","","0.05","0.0477","","","0.1187","0.1205","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231668","7.8132","0.0016","5.7947","0.0012","26.175","0.005","90","","95.02","0.03","90","","1180.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(4-Methoxyanilino)methyl]phenol","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","PV2441","Shu, Hong; Yu, Ning-Shu; Xie, Guo-Lan; Chen, Li-Zhuang","2-[(4-Methoxyanilino)methyl]phenol","Acta Crystallographica Section E","2011","67","9","o2304","","10.1107/S1600536811031679","","","0.71073","MoKα","","0.0974","0.0559","","","0.1144","0.1284","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231669","12.965","0.003","9.7154","0.0019","10.908","0.002","90","","118.96","0.03","90","","1202.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Methyl-2-pyridone","","- C6 H7 N O -","- C6 H7 N O -","- C48 H56 N8 O8 -","8","1","PV2442","Mao, Shulin; Yanghui, Luo; Meiling, Pan","5-Methyl-2-pyridone","Acta Crystallographica Section E","2011","67","9","o2440","","10.1107/S1600536811033484","","","0.71073","MoKα","","0.116","0.0539","","","0.1369","0.1631","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231670","10.5819","0.0015","13.1465","0.0019","14.235","0.002","90","","95.478","0.002","90","","1971.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Bromophenyl)-4-methyl-<i>N</i>-(4-methylphenylsulfonyl)benzenesulfonamide","","- C20 H18 Br N O4 S2 -","- C20 H18 Br N O4 S2 -","- C80 H72 Br4 N4 O16 S8 -","4","1","PV2443","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Holman, K. Travis; Asiri, Abdullah M.; Rafique, H. M.","<i>N</i>-(2-Bromophenyl)-4-methyl-<i>N</i>-(4-methylphenylsulfonyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2356","","10.1107/S1600536811032533","","","0.71073","MoKα","","0.0439","0.038","","","0.0831","0.0848","","","","","","1.242","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231671","6.9666","0.0004","8.4146","0.0006","24.0261","0.0015","90","","90","","90","","1408.44","0.16","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dibromido(4,7-diazadecane-1,10-diamine)copper(II)","","- C8 H22 Br2 Cu N4 -","- C8 H22 Br2 Cu N4 -","- C32 H88 Br8 Cu4 N16 -","4","1","PV2444","Assey, Gervas E.; Butcher, Ray J.; Gultneh, Yilma","Dibromido(4,7-diazadecane-1,10-diamine)copper(II)","Acta Crystallographica Section E","2011","67","9","m1266","","10.1107/S160053681103251X","","","0.71073","MoKα","","0.0834","0.0705","","","0.1791","0.1833","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231672","9.1915","0.0009","19.7152","0.0014","13.5637","0.0011","90","","105.276","0.003","90","","2371.1","0.3","291","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquaerbium(III) tetrahydrate","","- C15 H24 Er N9 O12 -","- C15 H24 Er N9 O12 -","- C60 H96 Er4 N36 O48 -","4","1","QK2017","Gao, Shan; Ng, Seik Weng","Tris(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquaerbium(III) tetrahydrate","Acta Crystallographica Section E","2011","67","9","m1300","","10.1107/S1600536811034398","","","0.71073","MoKα","","0.0294","0.0256","","","0.0623","0.0644","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231673","18.2193","0.0005","10.5507","0.0003","13.1307","0.0005","90","","105.292","0.001","90","","2434.7","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ-3-aminopyrazine-2-carboxylato- κ^3^<i>N</i>^1^,<i>O</i>:<i>O</i>')diaqua(μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)lanthanum(III)] monohydrate]","","- C7 H10 La N3 O9 -","- C7 H10 La N3 O9 -","- C56 H80 La8 N24 O72 -","8","1","QK2018","Gao, Shan; Ng, Seik Weng","Poly[[(μ-3-aminopyrazine-2-carboxylato-κ^3^<i>N</i>^1^,<i>O</i>:<i>O</i>')diaqua(μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)lanthanum(III)] monohydrate]","Acta Crystallographica Section E","2011","67","9","m1301","","10.1107/S1600536811034404","","","0.71073","MoKα","","0.0309","0.0249","","","0.0604","0.0644","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231674","15.101","0.005","5.315","0.0016","17.317","0.005","90","","93.606","0.005","90","","1387.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-2-methyl-3-methylsulfinyl-1-benzofuran","","- C16 H13 F O2 S -","- C16 H13 F O2 S -","- C64 H52 F4 O8 S4 -","4","1","QK2019","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-(4-Fluorophenyl)-2-methyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","9","o2242","","10.1107/S160053681103056X","","","0.71073","MoKα","","0.0749","0.049","","","0.1229","0.1369","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231676","7.576","0.002","13.602","0.002","17.23","0.003","90","","106.816","0.003","90","","1699.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(3,5-Dibromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide methanol monosolvate","","- C15 H13 Br2 N3 O5 -","- C15 H13 Br2 N3 O5 -","- C60 H52 Br8 N12 O20 -","4","1","QM2019","Zhou, Xin; Gao, Shu-Tao; Ma, Jing-Jun","<i>N</i>'-(3,5-Dibromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","9","o2275","","10.1107/S1600536811031187","","","0.71073","MoKα","","0.1229","0.0489","","","0.0818","0.1034","","","","","","0.998","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231677","14.664","0.0001","14.664","0.0001","29.8298","0.0007","90","","90","","90","","6414.39","0.16","296","2","296","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Bis[2-(2-aminoethylamino)ethanol]copper(II) dinitrate","","- C8 H24 Cu N6 O8 -","- C8 H24 Cu N6 O8 -","- C128 H384 Cu16 N96 O128 -","16","0.5","QM2020","Azadbakht, Reza; Amiri Rudbari, Hadi; Bruno, Giuseppe","Bis[2-(2-aminoethylamino)ethanol]copper(II) dinitrate","Acta Crystallographica Section E","2011","67","9","m1203","","10.1107/S1600536811030637","","","0.71073","MoKα","","0.0445","0.0351","","","0.1132","0.1205","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231678","4.628","0.003","12.801","0.009","18.312","0.012","90","","90","","90","","1084.9","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(2-Iodophenyl)-2-phenyldiazene","","- C12 H9 I N2 -","- C12 H9 I N2 -","- C48 H36 I4 N8 -","4","1","QM2021","Wragg, David S.; Ahmed, Mohammed A. K.; Nilsen, Ola; Fjellvåg, Helmer","(<i>E</i>)-1-(2-Iodophenyl)-2-phenyldiazene","Acta Crystallographica Section E","2011","67","9","o2326","","10.1107/S1600536811032119","","","0.71073","MoKα","","0.0299","0.0282","","","0.0691","0.0701","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231679","10.253","0.002","12.214","0.002","11.147","0.002","90","","90.97","0.03","90","","1395.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Bromomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridozincate","","- C7 H15 Br Cl4 N2 Zn -","- C7 H15 Br Cl4 N2 Zn -","- C28 H60 Br4 Cl16 N8 Zn4 -","4","1","QM2022","Shi, Ping Ping","1-Bromomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridozincate","Acta Crystallographica Section E","2011","67","9","m1297","","10.1107/S1600536811032430","","","0.71073","MoKα","","0.0514","0.0406","","","0.0943","0.0989","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231680","9.53","0.003","10.228","0.003","17.424","0.005","90","","90","","90","","1698.4","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dihydroagarofuran","4α,6α-Dihydroxy-1β-methylsulfonyl-8α,9α-epoxy-2β,12-epoxymethano- β-dihydroagarofuran","","- C16 H24 O8 S -","- C16 H24 O8 S -","- C64 H96 O32 S4 -","4","1","QM2023","Zhang, Jiwen; Gao, Peng; Li, Longbo; Wu, Wenjun","4α,6α-Dihydroxy-1β-methylsulfonyl-8α,9α-epoxy-2β,12-epoxymethano-β-dihydroagarofuran","Acta Crystallographica Section E","2011","67","9","o2496","","10.1107/S1600536811034179","","","0.71073","MoKα","","0.0489","0.0388","","","0.0812","0.0852","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231681","7.2853","0.0002","10.1619","0.0003","12.3137","0.0004","103.439","0.002","90.486","0.002","96.422","0.002","880.53","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluorophenyl)-1-(phenylsulfinyl)naphtho[2,1-<i>b</i>]furan","","- C24 H15 F O2 S -","- C24 H15 F O2 S -","- C48 H30 F2 O4 S2 -","2","1","QM2024","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(4-Fluorophenyl)-1-(phenylsulfinyl)naphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2011","67","9","o2479","","10.1107/S1600536811034155","","","0.71073","MoKα","","0.049","0.0404","","","0.1057","0.111","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231682","11.0337","0.0004","12.1424","0.0004","23.2234","0.0009","90","","90","","90","","3111.37","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Azidomethyl-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole","","- C16 H14 N4 O2 S -","- C16 H14 N4 O2 S -","- C128 H112 N32 O16 S8 -","8","1","RK2287","Karthikeyan, S.; Sethusankar, K.; Rajeswaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","2-Azidomethyl-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","9","o2245","o2246","10.1107/S1600536811030601","","","0.71073","MoKα","","0.0791","0.0473","","","0.1415","0.1658","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231683","3.8926","0.0006","9.9679","0.0013","22.617","0.002","90","","92.795","0.011","90","","876.52","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Chloro-1-phenyl-1<i>H</i>-pyrazol-4-amine","","- C9 H8 Cl N3 -","- C9 H8 Cl N3 -","- C36 H32 Cl4 N12 -","4","1","RK2288","Korzański, Artur; Wagner, Pawel; Kubicki, Maciej","5-Chloro-1-phenyl-1<i>H</i>-pyrazol-4-amine","Acta Crystallographica Section E","2011","67","9","o2320","","10.1107/S1600536811032065","","","0.71073","MoKα","","0.0656","0.0397","","","0.0829","0.0912","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231684","9.9694","0.0003","19.8196","0.0006","9.6013","0.0003","90","","112.718","0.001","90","","1749.93","0.09","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-{Hydroxy[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]methyl}acrylonitrile","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","RK2289","Prasanna, C. M. Sai; Sethusankar, K.; Rajesh, R.; Raghunathan, R.","2-{Hydroxy[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]methyl}acrylonitrile","Acta Crystallographica Section E","2011","67","9","o2340","","10.1107/S1600536811032247","","","0.71073","MoKα","","0.0496","0.0376","","","0.0923","0.1004","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231685","12.6211","0.0011","8.71","0.0007","11.2835","0.001","90","","90.78","0.001","90","","1240.28","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2-Hydroxy-5-methylphenylimino)indolin-2-one","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","RU2008","Zhang, Peng-Fei; Bi, Cai-Feng; Wang, Qiang; Zuo, Jian; Zhang, Nan","(<i>E</i>)-3-(2-Hydroxy-5-methylphenylimino)indolin-2-one","Acta Crystallographica Section E","2011","67","9","o2493","","10.1107/S1600536811034015","","","0.71073","MoKα","","0.0699","0.0391","","","0.0919","0.1135","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231686","7.024","0.0009","8.877","0.0012","9.324","0.0012","81.598","0.002","83.29","0.002","67.755","0.002","531.12","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Diaquabis[5-carboxy-2-(3-pyridyl)-1<i>H</i>-imidazole-4- carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^]cobalt(II)","","- C20 H16 Co N6 O10 -","- C20 H16 Co N6 O10 -","- C20 H16 Co N6 O10 -","1","0.5","RZ2627","Zhan, Qing-Guang","<i>trans</i>-Diaquabis[5-carboxy-2-(3-pyridyl)-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^]cobalt(II)","Acta Crystallographica Section E","2011","67","9","m1186","","10.1107/S1600536811029618","","","0.71073","MoKα","","0.0607","0.0436","","","0.093","0.1044","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231687","8.6418","0.0005","5.9415","0.0003","23.4475","0.001","90","","91.275","0.002","90","","1203.62","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-(2-Hydroxyphenyl)-1,3-dimethyl-1<i>H</i>-purine-2,6(3<i>H</i>,7<i>H</i>)-dione","","- C13 H12 N4 O3 -","- C13 H12 N4 O3 -","- C52 H48 N16 O12 -","4","1","SI2369","Booysen, Irvin; Hlela, Thulani; Ismail, Muhammed; Gerber, Thomas; Hosten, Eric; Betz, Richard","8-(2-Hydroxyphenyl)-1,3-dimethyl-1<i>H</i>-purine-2,6(3<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","9","o2347","","10.1107/S1600536811032417","","","0.71073","MoKα","","0.1034","0.0493","","","0.1062","0.1237","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231688","12.2276","0.0017","9.1557","0.001","15.462","0.002","90","","104.174","0.011","90","","1678.3","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(4-Methoxyphenyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizine-5-carbaldehyde","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","SI2370","Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan","6-(4-Methoxyphenyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizine-5-carbaldehyde","Acta Crystallographica Section E","2011","67","9","o2417","","10.1107/S1600536811033022","","","0.71073","MoKα","","0.0616","0.039","","","0.0918","0.1019","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231689","16.64","0.003","17.384","0.003","21.461","0.004","90","","95.026","0.002","90","","6184.1","1.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[2-(naphth[1,2- <i>d</i>][1,3]oxazol-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C39 H27 Ir N2 O4 -","- C39 H27 Ir N2 O4 -","- C312 H216 Ir8 N16 O32 -","8","1","SI2371","Yin, Guojie","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[2-(naphth[1,2-<i>d</i>][1,3]oxazol-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2011","67","9","m1305","","10.1107/S1600536811034222","","","0.71073","MoKα","","0.0361","0.0233","","","0.0468","0.0506","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231690","13.5232","0.0009","16.8402","0.0012","12.1789","0.0009","90","","116.568","0.001","90","","2480.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 1-benzyl-2,2-dioxo-4-phenyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate","","- C26 H31 N O6 S -","- C26 H31 N O6 S -","- C104 H124 N4 O24 S4 -","4","1","SU2277","Chitradevi, A.; Athimoolam, S.; Bahadur, S. Asath; Indumathi, S.; Perumal, S.","Diethyl 1-benzyl-2,2-dioxo-4-phenyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate","Acta Crystallographica Section E","2011","67","9","o2268","","10.1107/S1600536811031047","","","0.71073","MoKα","","0.044","0.0397","","","0.1077","0.1117","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231691","9.4265","0.0019","5.1159","0.001","13.912","0.003","90","","107.36","0.03","90","","640.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Poly-{Bis-(glycine)copper(II}~n~","Poly[di-μ-glycinato-copper(II)]","","- C4 H8 Cu N2 O4 -","- C4 H8 Cu N2 O4 -","- C16 H32 Cu4 N8 O16 -","4","1","SU2280","Gschwind, Fabienne; Jansen, Martin","Poly[di-μ-glycinato-copper(II)]: a two-dimensional coordination polymer","Acta Crystallographica Section E","2011","67","9","m1218","m1219","10.1107/S1600536811031503","","","0.71073","MoKα","","0.0447","0.0322","","","0.0716","0.0752","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231692","33.825","0.0009","11.6062","0.0003","17.6986","0.0005","90","","101.158","0.001","90","","6816.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-benzyl-1-({4-[(3-benzyl-1H-imidazol-3-ium-1-yl)methyl]naphthalen- 1-yl}methyl)-1H-imidazol-3-ium bis(hexafluorophosphate)","","- C32 H30 F12 N4 P2 -","- C32 H30 F12 N4 P2 -","- C256 H240 F96 N32 P16 -","8","1","SU2293","Liu, Chang-Lu; Huang, Kun","3,3'-Dibenzyl-1,1'-[naphthalene-1,4-diylbis(methylene)]di(1<i>H</i>-imidazol-3-ium) bis(hexafluorophosphate)","Acta Crystallographica Section E","2011","67","9","o2343","","10.1107/S1600536811032132","","","0.71073","MoKα","","0.0812","0.0665","","","0.1543","0.1631","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231693","11.3634","0.0004","14.9962","0.0006","17.2328","0.0007","90","","90","","90","","2936.6","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)}","","- C24 H20 Cl4 Hg2 N12 -","- C24 H20 Cl4 Hg2 N12 -","- C96 H80 Cl16 Hg8 N48 -","4","0.5","SU2294","Guo, Jian; Tang, Min; Chen, Jing; Li, Cheng-Peng","Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)}","Acta Crystallographica Section E","2011","67","9","m1180","","10.1107/S1600536811029886","","","0.71073","MoKα","","0.0335","0.0224","","","0.0523","0.0583","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231694","23.722","0.003","9.4716","0.0006","26.961","0.004","90","","124.319","0.009","90","","5003.2","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2,2'-[(2,2-Dimethylpropane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenolato}nickel(II)","","- C31 H28 N2 Ni O2 -","- C31 H28 N2 Ni O2 -","- C248 H224 N16 Ni8 O16 -","8","2","SU2297","Kargar, Hadi; Kia, Reza; Moghadam, Majid; Froozandeh, Fatemeh; Tahir, Muhammad Nawaz","{2,2'-[(2,2-Dimethylpropane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenolato}nickel(II)","Acta Crystallographica Section E","2011","67","9","m1173","","10.1107/S1600536811029813","","","0.71073","MoKα","","0.224","0.0533","","","0.0571","0.0966","","","","","","0.614","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231695","8.2766","0.0003","12.1728","0.0004","13.5041","0.0004","70.13","0.002","73.935","0.002","71.517","0.002","1191.56","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[4-(Ethylsulfamoyl)phenyl]acetamide","","- C10 H14 N2 O3 S -","- C10 H14 N2 O3 S -","- C40 H56 N8 O12 S4 -","4","2","SU2301","Rehman, Jeveria; Ejaz; Khan, Islam Ullah; Harrison, William T. A.; Farid, Sidra","<i>N</i>-[4-(Ethylsulfamoyl)phenyl]acetamide","Acta Crystallographica Section E","2011","67","9","o2455","","10.1107/S1600536811033472","","","0.71073","MoKα","","0.0846","0.0462","","","0.1055","0.117","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231696","8.3621","0.0002","12.2183","0.0003","17.6504","0.0004","90","","101.478","0.003","90","","1767.29","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diaquabis(4-bromobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>- diethylnicotinamide-κ<i>N</i>^1^)copper(II)","","- C34 H40 Br2 Cu N4 O8 -","- C34 H40 Br2 Cu N4 O8 -","- C68 H80 Br4 Cu2 N8 O16 -","2","1","SU2303","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Adıgüzel, Vedat; Hökelek, Tuncer","Diaquabis(4-bromobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section E","2011","67","9","m1317","m1318","10.1107/S1600536811034787","","","0.71073","MoKα","","0.0451","0.0348","","","0.0742","0.079","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231697","7.0475","0.0003","7.2801","0.0003","10.9906","0.0004","76.754","0.003","71.686","0.002","71.809","0.002","503.18","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-5-nitro-1<i>H</i>-benzimidazol-6-amine dihydrate","","- C8 H12 N4 O4 -","- C8 H12 N4 O4 -","- C16 H24 N8 O8 -","2","1","SU2305","Dinçer, Sebla; Dal, Hakan; Hökelek, Tuncer","2-Methyl-5-nitro-1<i>H</i>-benzimidazol-6-amine dihydrate","Acta Crystallographica Section E","2011","67","9","o2490","o2491","10.1107/S1600536811034647","","","0.71073","MoKα","","0.0718","0.0434","","","0.0993","0.1126","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231698","8.952","0.0002","4.963","0.0001","30.9123","0.0006","90","","105.391","0.001","90","","1324.14","0.05","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium bromide","","- C12 H14 Br N5 O2 -","- C12 H14 Br N5 O2 -","- C48 H56 Br4 N20 O8 -","4","1","SU2307","Booysen, Irvin; Ismail, Muhammed; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-[(<i>E</i>)-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)iminomethyl]pyridinium bromide","Acta Crystallographica Section E","2011","67","9","o2387","o2388","10.1107/S1600536811033290","","","0.71069","MoKα","","0.0326","0.0288","","","0.0663","0.0676","","","","","","1.161","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231699","9.6841","0.0015","10.5515","0.0014","12.8717","0.0019","102.493","0.004","111.938","0.004","98.665","0.004","1151.6","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","liina1","rac-8a'-Methyl-3',4',8',8a'-tetrahydro-2'<i>H</i>-spiro[[1,3]dioxolane- 2,1'-naphthalen]-6'(7'<i>H</i>)-one","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","2","SU2308","Werner, Franz; Toon, Liina; Aav, Riina","<i>rac</i>-8a'-Methyl-3',4',8',8a'-tetrahydro-2'<i>H</i>-spiro[[1,3]dioxolane-2,1'-naphthalen]-6'(7'<i>H</i>)-one","Acta Crystallographica Section E","2011","67","9","o2460","","10.1107/S1600536811034349","","","0.71073","MoKα","","0.0499","0.0391","","","0.0982","0.106","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231700","7.4939","0.0002","10.2361","0.0003","10.662","0.0003","92.307","0.003","103.935","0.001","109.852","0.002","739.92","0.04","298","","298","","","","","","","","","4","P -1","-P 1","2","","2-Oxochromen-4-yl 4-(dimethylamino)benzoate","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","TK2767","Abou, Akoun; Djandé, Abdoulaye; Sessouma, Bintou; Saba, Adama; Kakou-Yao, Rita","2-Oxochromen-4-yl 4-(dimethylamino)benzoate","Acta Crystallographica Section E","2011","67","9","o2269","o2270","10.1107/S1600536811030844","","","0.71073","MoKα","","","0.0475","","","0.1111","0.1195","","","","","","0.9753","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231701","6.8694","0.0004","6.9069","0.0004","14.395","0.0008","77.472","0.005","78.12","0.004","70.131","0.005","620.51","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","hexaaquamagnesium 5-sulfosalicylate dihydrate","Hexaaquamagnesium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","","- C14 H26 Mg O20 S2 -","- C14 H26 Mg O20 S2 -","- C14 H26 Mg O20 S2 -","1","0.5","TK2770","Smith, Graham; Wermuth, Urs D.; Williams, Michael L.","Hexaaquamagnesium bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","Acta Crystallographica Section E","2011","67","9","m1194","","10.1107/S1600536811030777","","","0.71073","MoKα","","0.0392","0.0323","","","0.0817","0.0857","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231702","19.4067","0.0017","4.9122","0.0005","12.7261","0.0011","90","","104.793","0.004","90","","1172.96","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-<i>N</i>-(4-methylphenyl)benzamide","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","TK2771","Raza, Abdul Rauf; Nisar, Bushra; Tahir, M. Nawaz","2-Hydroxy-<i>N</i>-(4-methylphenyl)benzamide","Acta Crystallographica Section E","2011","67","9","o2253","","10.1107/S1600536811030716","","","0.71073","MoKα","","0.1557","0.0586","","","0.1218","0.1588","","","","","","0.964","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231703","16.622","0.006","6.171","0.002","7.159","0.002","90","","95.732","0.008","90","","730.7","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-ylmethylidene)benzene-1,4-diamine","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","0.5","TK2772","Ha, Kwang","A centrosymmetric monoclinic polymorph of <i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-ylmethylidene)benzene-1,4-diamine","Acta Crystallographica Section E","2011","67","9","o2250","","10.1107/S1600536811030789","","","0.71073","MoKα","","0.1051","0.0528","","","0.1184","0.1515","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231704","13.421","0.002","15.02","0.005","16.291","0.005","85.61","0.04","68.85","0.05","89.26","0.03","3053.4","1.8","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","Bis[3,5-difluoro-2-(4-methylpyridin-2-yl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>](picolinato-κ^2^<i>N</i>,<i>O</i>)iridium(III) chloroform monosolvate","","- C31 H21 Cl3 F4 Ir N3 O2 -","- C31 H21 Cl3 F4 Ir N3 O2 -","- C124 H84 Cl12 F16 Ir4 N12 O8 -","4","2","TK2773","Kim, Young-Inn; Seo, Hoe-Joo; Yun, Seong-Jae; Song, Young-Kwang; Kim, In-Chan; Kang, Sung Kwon","Bis[3,5-difluoro-2-(4-methylpyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>](picolinato-κ^2^<i>N</i>,<i>O</i>)iridium(III) chloroform monosolvate","Acta Crystallographica Section E","2011","67","9","m1199","m1200","10.1107/S1600536811030856","","","0.71073","MoKα","","","0.0333","","","","0.0904","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231705","15.5688","0.0016","4.7139","0.0004","16.2248","0.0016","90","","92.412","0.004","90","","1189.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[(<i>E</i>)-(2-Fluorobenzylidene)amino]-2-hydroxybenzoic acid","","- C14 H10 F N O3 -","- C14 H10 F N O3 -","- C56 H40 F4 N4 O12 -","4","1","TK2774","Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Tariq, Riaz H.","5-[(<i>E</i>)-(2-Fluorobenzylidene)amino]-2-hydroxybenzoic acid","Acta Crystallographica Section E","2011","67","9","o2372","","10.1107/S160053681103162X","","","0.71073","MoKα","","0.1154","0.0484","","","0.1","0.1271","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231706","5.8663","0.0003","27.0109","0.0009","7.1385","0.0004","90","","110.767","0.006","90","","1057.64","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Dimethyl-3-oxo-3-(thiophen-2-yl)propanaminium chloride","","- C9 H14 Cl N O S -","- C9 H14 Cl N O S -","- C36 H56 Cl4 N4 O4 S4 -","4","1","TK2775","Dayananda, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Narayana, B.","<i>N</i>,<i>N</i>-Dimethyl-3-oxo-3-(thiophen-2-yl)propanaminium chloride","Acta Crystallographica Section E","2011","67","9","o2271","","10.1107/S1600536811031199","","","0.71073","MoKα","","0.0405","0.0375","","","0.0946","0.0965","","","","","","1.125","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231707","8.1746","0.0003","7.5513","0.0002","12.3843","0.0004","90","","91.889","0.001","90","","764.05","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~6~-6-oxidopyridinium-2-carboxylato)caesium]","","- C6 H4 Cs N O3 -","- C6 H4 Cs N O3 -","- C24 H16 Cs4 N4 O12 -","4","1","TK2776","Kang, Sung Kwon; Shim, Yong Suk","Poly[(μ~6~-6-oxidopyridinium-2-carboxylato)caesium]","Acta Crystallographica Section E","2011","67","9","m1237","","10.1107/S1600536811031874","","","0.71073","MoKα","","","0.0283","","","","0.0724","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231708","5.45","0.003","9.698","0.006","18.455","0.012","90","","93.888","0.013","90","","973.2","1","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Phenylbutan-2-one oxime","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","TK2777","Fun, Hoong-Kun; Loh, Wan-Sin; Kayarmar, Reshma; Dinesha; Nagaraja, G. K.","(<i>E</i>)-4-Phenylbutan-2-one oxime","Acta Crystallographica Section E","2011","67","9","o2332","","10.1107/S1600536811031928","","","0.71073","MoKα","","0.1044","0.0528","","","0.151","0.1831","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231709","4.0231","0.0003","26.039","0.002","8.5605","0.0006","90","","116.064","0.003","90","","805.58","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-benzothiazole‒oxalic acid (2/1)","","- C16 H12 N2 O4 S2 -","- C16 H12 N2 O4 S2 -","- C32 H24 N4 O8 S4 -","2","0.5","TK2778","Abdalsalam, Ashraf Ahmad Ali; Al-Dajani, Mohammad T.M.; Mohamed, Nornisah; Hemamalini, Madhukar; Fun, Hoong-Kun","1,3-Benzothiazole‒oxalic acid (2/1)","Acta Crystallographica Section E","2011","67","9","o2342","","10.1107/S1600536811032260","","","0.71073","MoKα","","0.0529","0.0378","","","0.104","0.1136","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231710","15.1292","0.0003","12.2648","0.0002","17.1909","0.0003","90","","96.233","0.001","90","","3171.03","0.1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-5-methylphenol","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C168 H136 N24 O8 -","8","1","TK2779","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Hemamalini, Madhukar; Fun, Hoong-Kun","2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-5-methylphenol","Acta Crystallographica Section E","2011","67","9","o2373","o2374","10.1107/S1600536811032673","","","0.71073","MoKα","","0.0601","0.0449","","","0.1154","0.1255","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231711","7.451","0.0002","13.8498","0.0004","12.8646","0.0004","90","","116.324","0.002","90","","1189.89","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Bromo-<i>N</i>-(2-hydroxy-5-methylphenyl)-2-methylpropanamide","","- C11 H14 Br N O2 -","- C11 H14 Br N O2 -","- C44 H56 Br4 N4 O8 -","4","1","TK2780","Moreno-Fuquen, Rodolfo; Quintero, David E.; Zuluaga, Fabio; Grande, Carlos; Kennedy, Alan R.","2-Bromo-<i>N</i>-(2-hydroxy-5-methylphenyl)-2-methylpropanamide","Acta Crystallographica Section E","2011","67","9","o2446","","10.1107/S1600536811033150","","","0.71073","MoKα","","0.0455","0.035","","","0.0801","0.0849","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231712","6.1433","0.0005","20.5966","0.0017","12.5626","0.0008","90","","114.026","0.003","90","","1451.84","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(phenylsulfonyl)piperazine-1-carboxylate","","- C13 H18 N2 O4 S -","- C13 H18 N2 O4 S -","- C52 H72 N8 O16 S4 -","4","1","TK2781","Al-Dajani, Mohammad T.M.; Adballah, Hassan H.; Mohamed, Nornisah; Hemamalini, Madhukar; Fun, Hoong-Kun","Ethyl 4-(phenylsulfonyl)piperazine-1-carboxylate","Acta Crystallographica Section E","2011","67","9","o2401","","10.1107/S1600536811033162","","","0.71073","MoKα","","0.0591","0.0475","","","0.1451","0.1583","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231713","8.0624","0.0007","14.5896","0.0007","6.8003","0.0004","90","","108.549","0.004","90","","758.35","0.09","190","1","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[4-(2-Formylphenoxy)butoxy]benzaldehyde","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","0.5","TK2783","Dehno Khalaji, Aliakbar; Hafez Ghoran, Salar; Gotoh, Kazuma; Ishida, Hiroyuki","2-[4-(2-Formylphenoxy)butoxy]benzaldehyde","Acta Crystallographica Section E","2011","67","9","o2484","","10.1107/S1600536811034210","","","0.71075","MoKα","","0.0881","0.0442","","","0.1071","0.1315","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231714","11.3084","0.0006","12.3119","0.0007","20.7904","0.0011","102.686","0.001","103.104","0.001","93.1","0.001","2733.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis[<i>N</i>-Cyclohexyl-1-(2-{1-[(cyclohexylamino)carbonyl]cyclohexyl}-3,5- dioxo-1,2-oxazolidin-4-yl)cyclopentanecarboxamide] monohydrate","","- C28 H44 N3 O5.5 -","- C28 H44 N3 O5.5 -","- C112 H176 N12 O22 -","4","2","VM2097","Sheikhhosseini, Enayatollah; Vafadarnejad, Fahime; Habibi, Azizollah","Bis[<i>N</i>-cyclohexyl-1-(2-{1-[(cyclohexylamino)carbonyl]cyclohexyl}-3,5-dioxo-1,2-oxazolidin-4-yl)cyclopentanecarboxamide] monohydrate","Acta Crystallographica Section E","2011","67","9","o2239","","10.1107/S1600536811028868","","","0.71073","MoKα","","0.0647","0.0465","","","0.1103","0.1204","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231715","8.709","0.011","17.1","0.02","15.328","0.019","90","","102.34","0.03","90","","2230","5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis[2-methylsulfanyl-4-(pyridin-2-yl)pyrimidine- κ^2^<i>N</i>^3^,<i>N</i>^4^)cobalt(II)","","- C20 H18 Cl2 Co N6 S2 -","- C20 H18 Cl2 Co N6 S2 -","- C80 H72 Cl8 Co4 N24 S8 -","4","0.5","VM2113","Yang, Wen-Na","Dichloridobis[2-methylsulfanyl-4-(pyridin-2-yl)pyrimidine-κ^2^<i>N</i>^3^,<i>N</i>^4^]cobalt(II)","Acta Crystallographica Section E","2011","67","9","m1193","","10.1107/S1600536811030881","","","0.71073","MoKα","","0.069","0.0449","","","0.0568","0.0596","","","","","","0.928","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231716","11.09","0.005","15.204","0.007","23.679","0.01","90","","90","","90","","3993","3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Chlorido(phenanthren-9-yl)bis(triphenylphosphane)nickel(II)","","- C50 H39 Cl Ni P2 -","- C50 H39 Cl Ni P2 -","- C200 H156 Cl4 Ni4 P8 -","4","1","VM2114","Lei, Xiangyang; Obregon, Karla A.","<i>trans</i>-Chlorido(phenanthren-9-yl)bis(triphenylphosphane)nickel(II)","Acta Crystallographica Section E","2011","67","9","m1272","","10.1107/S1600536811032326","","","0.71073","MoKα","","0.0263","0.0235","","","0.0554","0.0566","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231717","8.1631","0.0013","9.2105","0.0014","10.9837","0.0018","93.089","0.009","104.812","0.009","103.368","0.009","771.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O2 S -","- C36 H34 F2 O4 S2 -","2","1","VM2116","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-(3-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","9","o2327","","10.1107/S1600536811032077","","","0.71073","MoKα","","0.0667","0.0458","","","0.1184","0.1313","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231718","7.795","0.001","9.809","0.001","15.421","0.001","90","","90","","90","","1179.1","0.2","298","2","298","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)zinc]- μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C8 H14 N2 O6 Zn -","- C8 H14 N2 O6 Zn -","- C32 H56 N8 O24 Zn4 -","4","0.5","WM2511","Lee, Ju Eun; Lee, Hong-In","<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)zinc]-μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2011","67","9","m1172","","10.1107/S1600536811030479","","","0.9","Synchrotron","","0.0592","0.0577","","","0.1642","0.1688","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231719","11.101","0.004","12.113","0.004","15.741","0.005","75.657","0.004","80.658","0.004","86.813","0.002","2023.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Mo2(O O C C6 F5)4","Tetrakis(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O'</i>)bis[(tetrahydrofuran- κ<i>O</i>)molybdenum(II)]","","- C36 H16 F20 Mo2 O10 -","- C36 H16 F20 Mo2 O10 -","- C72 H32 F40 Mo4 O20 -","2","1","WM2516","Han, Li-Juan","Tetrakis(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(tetrahydrofuran-κ<i>O</i>)molybdenum(II)]","Acta Crystallographica Section E","2011","67","9","m1289","m1290","10.1107/S1600536811033411","","","0.71073","MoKα","","0.0452","0.0338","","","0.0822","0.0894","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231720","6.9407","0.0009","9.8231","0.0013","15.506","0.002","74.091","0.002","85.963","0.002","70.707","0.002","959.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aqua[1,4-bis(1<i>H</i>-imidazol-4-yl)benzene]cadmium]- μ~3~-5-methylisophthalato]","","- C21 H18 Cd N4 O5 -","- C21 H16 Cd N4 O5 -","- C42 H32 Cd2 N8 O10 -","2","1","WM2517","Yang, Sen-Lin; Wang, De-Hai; Chen, Shui-Sheng","<i>catena</i>-Poly[[aqua[1,4-bis(1<i>H</i>-imidazol-4-yl)benzene]cadmium]-μ~3~-5-methylisophthalato]","Acta Crystallographica Section E","2011","67","9","m1174","m1175","10.1107/S1600536811030509","","","0.71073","MoKα","","0.0315","0.0258","","","0.0805","0.1283","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231721","16.5034","0.0003","9.1072","0.0003","22.192","0.0004","90","","100.354","0.005","90","","3281.14","0.15","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[cadmium-bis(μ-triethylenetetramine- κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''')-cadmium- (μ-triethylenetetramine-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''')] hexafluoridogermanate]","","- C18 H54 Cd2 F12 Ge2 N12 -","- C18 H54 Cd2 F12 Ge2 N12 -","- C72 H216 Cd8 F48 Ge8 N48 -","4","0.5","WM2519","Wang, Guo-Ming; Wang, Pei","<i>catena</i>-Poly[[cadmium-bis(μ-triethylenetetramine-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''')-cadmium-(μ-triethylenetetramine-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''')] hexafluoridogermanate]","Acta Crystallographica Section E","2011","67","9","m1278","m1279","10.1107/S1600536811033381","","","0.71073","MoKα","","0.0517","0.0348","","","0.0696","0.0755","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231722","8.4531","0.001","5.2521","0.0005","20.867","0.002","90","","98.056","0.004","90","","917.28","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(4-methylbenzenesulfonamido)propionic acid monohydrate","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C36 H40 N4 O10 S2 -","2","1","WN2443","Khan, Islam Ullah; Arshad, Muhammad Nadeem; Mubashar-ur-Rehman, Hafiz; Harrison, William T. A.; Ali, Muhammad Baqir","(2<i>S</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(4-methylbenzenesulfonamido)propionic acid monohydrate","Acta Crystallographica Section E","2011","67","9","o2325","","10.1107/S1600536811032089","","","0.71073","MoKα","","0.1518","0.0546","","","0.083","0.1072","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231723","7.4196","0.0008","18.91","0.002","10.4112","0.0014","90","","110.568","0.002","90","","1367.6","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Isobutyl-4-methoxy-1<i>H</i>-imidazo[4,5-<i>c</i>]quinoline","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C60 H68 N12 O4 -","4","1","WN2444","Fun, Hoong-Kun; Loh, Wan-Sin; Dinesha; Kayarmar, Reshma; Nagaraja, G. K.","1-Isobutyl-4-methoxy-1<i>H</i>-imidazo[4,5-<i>c</i>]quinoline","Acta Crystallographica Section E","2011","67","9","o2331","","10.1107/S1600536811031801","","","0.71073","MoKα","","0.0649","0.0423","","","0.1117","0.1272","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231724","6.2907","0.0005","7.4155","0.0006","30.168","0.003","90","","90","","90","","1407.3","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(4-fluoroanilinium) sulfate","","- C12 H14 F2 N2 O4 S -","- C12 H14 F2 N2 O4 S -","- C48 H56 F8 N8 O16 S4 -","4","1","WN2446","Fun, Hoong-Kun; Arshad, Suhana; Dinesha; Laxmeshwar, Sandeep; Nagaraja, G. K.","Bis(4-fluoroanilinium) sulfate","Acta Crystallographica Section E","2011","67","9","o2408","","10.1107/S1600536811033137","","","0.71073","MoKα","","0.0506","0.0381","","","0.095","0.1026","","","","","","0.976","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231725","19.0863","0.0007","19.0863","0.0007","8.9633","0.0004","90","","90","","90","","3265.2","0.2","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","(<i>E</i>)-1-(3,4-Dimethoxyphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C144 H144 O24 S8 -","8","1","WN2447","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Lobo, Prajwal L.; Prasad, D. Jagadeesh; Bojapoojary","(<i>E</i>)-1-(3,4-Dimethoxyphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2403","","10.1107/S160053681103323X","","","0.71073","MoKα","","0.0474","0.0358","","","0.0905","0.0996","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231726","8.4578","0.0007","11.6194","0.0009","22.636","0.0016","90","","109.693","0.002","90","","2094.4","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-4'-phenyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione","","- C27 H21 N O3 -","- C27 H21 N O3 -","- C108 H84 N4 O12 -","4","1","WN2448","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Quah, Ching Kheng; Fun, Hoong-Kun","1'-Methyl-4'-phenyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2011","67","9","o2383","","10.1107/S1600536811032934","","","0.71073","MoKα","","0.0845","0.052","","","0.1401","0.1631","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231727","14.8997","0.0002","7.7993","0.0001","23.0188","0.0003","90","","112.638","0.001","90","","2468.86","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-[5-(4-Fluorophenyl)pyridin-3-yl]-1'-methyldispiro[indan-2,2'-pyrrolidine- 3',2''-indan]-1,3,1''-trione","","- C32 H23 F N2 O3 -","- C32 H23 F N2 O3 -","- C128 H92 F4 N8 O12 -","4","1","WN2449","Wei, Ang Chee; Ali, Mohamed Ashraf; Ismail, Rusli; Quah, Ching Kheng; Fun, Hoong-Kun","4'-[5-(4-Fluorophenyl)pyridin-3-yl]-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2011","67","9","o2381","o2382","10.1107/S1600536811032946","","","0.71073","MoKα","","0.0936","0.0533","","","0.1156","0.1353","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231728","7.9438","0.0004","10.9163","0.0007","14.0384","0.0008","75.332","0.005","75.807","0.005","88.41","0.005","1140.98","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-[2-(2,6-Dichloroanilino)benzyl]-4-[(4-methoxybenzylidene)amino]- 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C23 H19 Cl2 N5 O S -","- C23 H19 Cl2 N5 O S -","- C46 H38 Cl4 N10 O2 S2 -","2","1","WN2450","Vinduvahini, M.; Roopashree, K. R.; Bhattacharya, Suman; Krishna, K. Mohan; Devaru, Venkatesh B.","3-[2-(2,6-Dichloroanilino)benzyl]-4-[(4-methoxybenzylidene)amino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","9","o2535","o2536","10.1107/S1600536811034799","","","0.71073","MoKα","","0.0876","0.0572","","","0.144","0.1586","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231729","10.491","0.0002","10.9197","0.0002","13.085","0.0003","77.915","0.001","76.702","0.001","86.049","0.001","1426.14","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaquabis(μ~3~-pyridine-2,6-dicarboxylato)(μ~2~-pyridine- 2,6-dicarboxylato)dilanthanum(III)] dihydrate]","","- C21 H21 La2 N3 O18 -","- C21 H21 La2 N3 O18 -","- C42 H42 La4 N6 O36 -","2","1","XU5269","Lush, Shie Fu; Shen, Fwu Ming","Poly[[tetraaquabis(μ~3~-pyridine-2,6-dicarboxylato)(μ~2~-pyridine-2,6-dicarboxylato)dilanthanum(III)] dihydrate]","Acta Crystallographica Section E","2011","67","9","m1195","m1196","10.1107/S1600536811030807","","","0.71073","MoKα","","0.0523","0.0453","","","0.1218","0.126","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231730","3.8788","0.0008","13.634","0.003","6.1094","0.0012","90","","90.51","0.03","90","","323.07","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Methylnicotinic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","XU5270","Pan, Mei-Ling; Luo, Yang-Hui; Mao, Shu-Lin","6-Methylnicotinic acid","Acta Crystallographica Section E","2011","67","9","o2345","","10.1107/S1600536811031837","","","0.71073","MoKα","","0.0596","0.0487","","","0.1177","0.1255","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231731","8.9813","0.0006","15.5062","0.001","19.9737","0.0013","90","","90","","90","","2781.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,6,3',4'-Penta-<i>O</i>-acetyl-4,1',6'-trichloro-4,1',6'-trideoxysucrose","","- C22 H29 Cl3 O13 -","- C22 H29 Cl3 O13 -","- C88 H116 Cl12 O52 -","4","1","XU5274","Wu, Fu-Zhong; Zhang, Ping","2,3,6,3',4'-Penta-<i>O</i>-acetyl-4,1',6'-trichloro-4,1',6'-trideoxysucrose","Acta Crystallographica Section E","2011","67","9","o2323","","10.1107/S1600536811032120","","","0.71073","MoKα","","0.0402","0.0371","","","0.0953","0.0978","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231732","9.866","0.003","12.325","0.005","18.24","0.007","109.324","0.015","96.474","0.013","93.516","0.013","2068.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-<i>N</i>'-(2-methyl-1-oxidopropanylidene)-2- oxidobenzohydrazidato]tetrapyridinetrinickel(II)","","- C42 H42 N8 Ni3 O6 -","- C42 H42 N8 Ni3 O6 -","- C84 H84 N16 Ni6 O12 -","2","1","XU5275","Chen, Xiao-Hua; Xie, Chun-Ling; Yang, Ming-Xing; Chen, Li-Juan","Bis[μ-<i>N</i>'-(2-methyl-1-oxidopropanylidene)-2-oxidobenzohydrazidato]tetrapyridinetrinickel(II)","Acta Crystallographica Section E","2011","67","9","m1308","m1309","10.1107/S1600536811034362","","","0.71073","MoKα","","0.0936","0.0496","","","0.0893","0.1035","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231733","21.976","0.007","6.126","0.003","23.099","0.006","90","","90.84","0.004","90","","3109","2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzyl (<i>E</i>)-3-(2-methylbenzylidene)dithiocarbazate","","- C16 H16 N2 S2 -","- C16 H16 N2 S2 -","- C128 H128 N16 S16 -","8","2","XU5276","Shan, Shang; Wang, Zhao; Huang, Yan-Lan; Guo, Han-Qi; Li, Deng-Feng","Benzyl (<i>E</i>)-3-(2-methylbenzylidene)dithiocarbazate","Acta Crystallographica Section E","2011","67","9","o2497","","10.1107/S1600536811033113","","","0.71073","MoKα","","0.1413","0.0653","","","0.1355","0.1619","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231734","8.8","0.002","13.729","0.004","15.145","0.004","90.918","0.003","98.56","0.003","106.775","0.003","1729","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Dichloridotetrakis(diniconazole)cobalt(II)","Dichloridotetrakis[(<i>E</i>)-(<i>RS</i>)-1-(2,4-dichlorophenyl)-4,4- dimethyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)pent-1-en-3-ol]cobalt(II)","","- C60 H68 Cl10 Co N12 O4 -","- C60 H68 Cl10 Co N12 O4 -","- C60 H68 Cl10 Co N12 O4 -","1","0.5","XU5277","Liu, Chang-Xiang; Song, Xiu-Ying; Liu, Qian; Nie, Xu-Liang; Wen, Shi-He","Dichloridotetrakis(diniconazole)cobalt(II)","Acta Crystallographica Section E","2011","67","9","m1214","","10.1107/S1600536811031291","","","0.71073","MoKα","","0.0725","0.0396","","","0.0866","0.098","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231735","6.1415","0.0007","8.2635","0.0007","25.287","0.002","90","","94.401","0.01","90","","1279.5","0.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzyloxy-2-bromo-1-methoxybenzene","","- C14 H13 Br O2 -","- C14 H13 Br O2 -","- C56 H52 Br4 O8 -","4","1","XU5279","Huang, Xing; Ren, Li-Hong; Yin, Rong-Hua; Gao, Feng","4-Benzyloxy-2-bromo-1-methoxybenzene","Acta Crystallographica Section E","2011","67","9","o2330","","10.1107/S1600536811031989","","","0.7107","MoKα","","0.08","0.0554","","","0.1568","0.1637","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231736","5.735","0.002","23.713","0.009","12.618","0.005","90","","100.389","0.01","90","","1687.8","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Cyclohexylsulfonyl-2-methyl-5-propyl-1-benzofuran","","- C18 H24 O3 S -","- C17.996 H24 O3 S -","- C71.984 H96 O12 S4 -","4","1","XU5281","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-Cyclohexylsulfonyl-2-methyl-5-propyl-1-benzofuran","Acta Crystallographica Section E","2011","67","9","o2262","","10.1107/S1600536811031023","","","0.71073","MoKα","","0.0973","0.0612","","","0.1412","0.1576","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231737","9.7213","0.0003","14.2113","0.0006","17.6228","0.0006","68.801","0.001","76.291","0.001","79.349","0.001","2191.97","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis(3-aminopyrazine-2- carboxylato)triaquapraseodymium(III)]-μ-3-aminopyrazine-2-carboxylato- [(3-aminopyrazine-2-carboxylato)diaquaformatopraseodymium(III)]- μ-3-aminopyrazine-2-carboxylato] hexahydrate]","","- C26 H43 N15 O23 Pr2 -","- C26 H43 N15 O23 Pr2 -","- C52 H86 N30 O46 Pr4 -","2","1","XU5282","Gao, Shan; Ng, Seik Weng","<i>catena</i>-Poly[[[bis(3-aminopyrazine-2-carboxylato)triaquapraseodymium(III)]-μ-3-aminopyrazine-2-carboxylato-[(3-aminopyrazine-2-carboxylato)diaquaformatopraseodymium(III)]-μ-3-aminopyrazine-2-carboxylato] hexahydrate]","Acta Crystallographica Section E","2011","67","9","m1221","m1222","10.1107/S1600536811031308","","","0.71073","MoKα","","0.0446","0.0349","","","0.0823","0.0875","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231738","7.5645","0.0002","10.1112","0.0003","17.7837","0.0005","98.105","0.003","95.653","0.003","97.509","0.003","1325.56","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","10-Hydroxybenzo[<i>h</i>]quinolinium tetrachlorido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) methanol disolvate","","- C25 H26 Cl4 N2 O4 Sn -","- C25 H26 Cl4 N2 O4 Sn -","- C50 H52 Cl8 N4 O8 Sn2 -","2","1","XU5283","Najafi, Ezzatollah; Vafaee, Marzieh; Amini, Mostafa M.; Ng, Seik Weng","10-Hydroxybenzo[<i>h</i>]quinolinium tetrachlorido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) methanol disolvate","Acta Crystallographica Section E","2011","67","9","m1223","","10.1107/S1600536811031461","","","0.71073","MoKα","","0.051","0.0409","","","0.09","0.0947","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231739","8.6681","0.0003","8.8407","0.0004","14.4447","0.0005","96.721","0.003","91.924","0.003","108.038","0.004","1042.43","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-(Dimethylamino)pyridinium tetrachlorido(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","","- C17 H17 Cl4 N3 O2 Sn -","- C17 H17 Cl4 N3 O2 Sn -","- C34 H34 Cl8 N6 O4 Sn2 -","2","1","XU5284","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","4-(Dimethylamino)pyridinium tetrachlorido(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2011","67","9","m1224","","10.1107/S1600536811031473","","","0.71073","MoKα","","0.0273","0.0212","","","0.0451","0.0473","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231740","7.2939","0.0002","8.513","0.0002","16.1252","0.0004","83.97","0.003","79.529","0.003","68.031","0.002","912.34","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(4-bromobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>- diethylnicotinamide-κ<i>N</i>^1^)manganese(II)","","- C34 H40 Br2 Mn N4 O8 -","- C34 H40 Br2 Mn N4 O8 -","- C34 H40 Br2 Mn N4 O8 -","1","0.5","XU5285","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Adıgüzel, Vedat; Hökelek, Tuncer","Diaquabis(4-bromobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)manganese(II)","Acta Crystallographica Section E","2011","67","9","m1209","m1210","10.1107/S1600536811031412","","","0.71073","MoKα","","0.0306","0.0256","","","0.069","0.0727","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231741","18.0113","0.0004","35.5302","0.0011","8.29","0.0002","90","","90","","90","","5305.1","0.2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","4-(3,7-Dimethyl-4-oxo-4,5- dihydroisoxazolo[4,5-<i>d</i>]pyridazin-5-yl)benzenesulfonamide","","- C13 H12 N4 O4 S -","- C13 H12 N4 O4 S -","- C208 H192 N64 O64 S16 -","16","1","XU5287","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Obaid, Abdullah.Y.; Ng, Seik Weng","4-(3,7-Dimethyl-4-oxo-4,5-dihydroisoxazolo[4,5-<i>d</i>]pyridazin-5-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2466","","10.1107/S1600536811034325","","","1.54184","CuKα","","0.0332","0.033","","","0.0961","0.0964","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231742","6.9262","0.0004","7.054","0.0004","8.8079","0.0006","71.002","0.006","75.845","0.005","85.57","0.005","394.54","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,7-Dimethyl-1,3-thiazolo[4,5-<i>d</i>]pyridazin-4(5<i>H</i>)-one","","- C7 H7 N3 O S -","- C7 H7 N3 O S -","- C14 H14 N6 O2 S2 -","2","1","XU5288","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng","2,7-Dimethyl-1,3-thiazolo[4,5-<i>d</i>]pyridazin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","9","o2467","","10.1107/S1600536811034192","","","1.54184","CuKα","","0.0296","0.0294","","","0.0794","0.0796","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231743","7.4075","0.0005","9.7204","0.0004","10.7358","0.0006","77.001","0.004","74.348","0.006","81.674","0.005","722.36","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Oxo-4-phenyl-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","XU5290","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Ng, Seik Weng","2-Oxo-4-phenyl-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2468","","10.1107/S1600536811033873","","","1.54184","CuKα","","0.0391","0.0368","","","0.1031","0.1055","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231744","22.6906","0.0005","8.506","0.0002","17.6112","0.0005","90","","106.498","0.003","90","","3259.13","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Bromophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline- 3-carbonitrile","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C160 H104 Br8 N16 O8 -","8","1","XU5291","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Ng, Seik Weng","4-(4-Bromophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2469","","10.1107/S1600536811033885","","","1.54184","CuKα","","0.0328","0.0318","","","0.0928","0.0938","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231745","14.2016","0.0002","14.4725","0.0002","7.9935","0.0001","90","","96.017","0.001","90","","1633.87","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline- 3-carbonitrile","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","XU5292","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Ng, Seik Weng","4-(4-Methoxyphenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2470","","10.1107/S1600536811033897","","","1.54184","CuKα","","0.0368","0.0348","","","0.0944","0.0962","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231746","7.6586","0.0003","16.5858","0.0005","13.322","0.0006","90","","104.164","0.004","90","","1640.77","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline- 3-carbonitrile","","- C21 H14 N2 O3 -","- C21 H14 N2 O3 -","- C84 H56 N8 O12 -","4","1","XU5293","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Ng, Seik Weng","4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2471","","10.1107/S1600536811033903","","","1.54184","CuKα","","0.0384","0.0356","","","0.0969","0.0999","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231747","6.9952","0.0003","9.1809","0.0004","11.1837","0.0005","93.99","0.004","95.293","0.004","100.903","0.004","699.48","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Oxo-4-(thiophen-2-yl)-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3- carbonitrile","","- C18 H12 N2 O S -","- C17.991 H12 N2 O S0.997 -","- C35.982 H24 N4 O2 S1.994 -","2","1","XU5294","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Alamry, Khalid A.; Ng, Seik Weng","2-Oxo-4-(thiophen-2-yl)-1,2,5,6-tetrahydrobenzo[<i>h</i>]quinoline-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2472","","10.1107/S1600536811033915","","","1.54184","CuKα","","0.0364","0.035","","","0.0964","0.0976","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231748","8.4989","0.0012","15.348","0.002","12.0277","0.0016","90","","101.403","0.003","90","","1537.9","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)platinum(II)","","- C14 H10 Br2 N4 Pt -","- C14 H10 Br2 N4 Pt -","- C56 H40 Br8 N16 Pt4 -","4","1","XU5295","Ha, Kwang","Dibromido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)platinum(II)","Acta Crystallographica Section E","2011","67","9","m1307","","10.1107/S160053681103412X","","","0.71073","MoKα","","0.0563","0.0319","","","0.0567","0.0667","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231749","7.5218","0.0001","11.4371","0.0002","15.2239","0.0002","90","","97.437","0.001","90","","1298.66","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Azaniumylethyl)piperazin-1-ium bis(perchlorate)","","- C6 H17 Cl2 N3 O8 -","- C6 H17 Cl2 N3 O8 -","- C24 H68 Cl8 N12 O32 -","4","1","XU5296","Reisi, Mohammad Reza; Saleh Salga, Muhammad; Khaledi, Hamid; Mohd Ali, Hapipah","4-(2-Azaniumylethyl)piperazin-1-ium bis(perchlorate)","Acta Crystallographica Section E","2011","67","9","o2400","","10.1107/S1600536811033976","","","0.71073","MoKα","","0.0342","0.0302","","","0.0776","0.0803","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231750","9.3894","0.0002","9.4947","0.0002","21.2687","0.0003","91.415","0.002","92.324","0.002","90.406","0.001","1893.9","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(1<i>H</i>-Benzotriazol-1-yl)-3-(2,6-dichlorophenyl)-1-phenylpropan-1-ol","","- C21 H17 Cl2 N3 O -","- C21 H17 Cl2 N3 O -","- C84 H68 Cl8 N12 O4 -","4","2","XU5297","Özel Güven, Özden; Çapanlar, Seval; Coles, Simon J.; Hökelek, Tuncer","2-(1<i>H</i>-Benzotriazol-1-yl)-3-(2,6-dichlorophenyl)-1-phenylpropan-1-ol","Acta Crystallographica Section E","2011","67","9","o2510","","10.1107/S1600536811034738","","","0.71073","MoKα","","0.0539","0.0419","","","0.1021","0.1084","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231751","15.0542","0.0007","12.7489","0.0005","17.1446","0.0007","90","","100.218","0.004","90","","3238.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(<i>E</i>)-1-(4-methylphenyl)-3-(pyrrolidin-1-ium- 1-yl)prop-1-enyl]pyridinium bis(2,4,6-trinitrophenolate)","","- C31 H28 N8 O14 -","- C31 H28 N8 O14 -","- C124 H112 N32 O56 -","4","1","XU5298","Dayananda, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Raju, C. R.","Triprolidinium dipicrate","Acta Crystallographica Section E","2011","67","9","o2502","","10.1107/S160053681103457X","","","0.71073","MoKα","","0.0895","0.0666","","","0.1727","0.1918","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231752","11.2459","0.0019","9.1554","0.0016","14.2842","0.0018","90","","118.159","0.009","90","","1296.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Bromophenyl)thiazolo[3,2-<i>a</i>]benzimidazole","","- C15 H9 Br N2 S -","- C15 H9 Br N2 S -","- C60 H36 Br4 N8 S4 -","4","1","XU5299","Wang, Zhi-Ming; Yu, Bin; Cui, Yuan; Zhang, Xiu-Qing; Sun, Xiao-Qiang","3-(2-Bromophenyl)thiazolo[3,2-<i>a</i>]benzimidazole","Acta Crystallographica Section E","2011","67","9","o2540","","10.1107/S1600536811034842","","","0.71073","MoKα","","0.063","0.0469","","","0.1134","0.1195","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231753","13.1648","0.0003","13.0636","0.0003","16.9552","0.0004","90","","93.779","0.002","90","","2909.61","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide","","- C9 H18 N4 S3 -","- C9 H18 N4 S3 -","- C72 H144 N32 S24 -","8","2","XU5300","Li, He-Ping; Ng, Seik Weng","Triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide","Acta Crystallographica Section E","2011","67","9","o2473","","10.1107/S1600536811034271","","","0.71073","MoKα","","0.1177","0.0595","","","0.1598","0.1955","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231754","5.8732","0.0007","8.124","0.001","36.806","0.005","90","","94.137","0.002","90","","1751.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridine‒4-(<i>p</i>-toluenesulfonamido)benzoic acid (1/2)","","- C19 H17 N2 O4 S -","- C19 H17 N2 O4 S -","- C76 H68 N8 O16 S4 -","4","1","XU5301","Huang, Miao-Ling","4,4'-Bipyridine‒4-(<i>p</i>-toluenesulfonamido)benzoic acid (1/2)","Acta Crystallographica Section E","2011","67","9","o2495","","10.1107/S1600536811034544","","","0.71073","MoKα","","0.0588","0.039","","","0.0991","0.1066","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231755","28.4378","0.0004","9.6154","0.0001","18.3808","0.0002","90","","106.618","0.001","90","","4816.14","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-(Tritylsulfanyl)ethyl 2-iodobenzoate","2-[(triphenylmethyl)sulfanyl]ethyl 2-iodobenzoate","","- C28 H23 I O2 S -","- C28 H23 I O2 S -","- C224 H184 I8 O16 S8 -","8","1","XU5302","Zhu, Xin; Lu, Ping; Ng, Seik Weng","2-(Tritylsulfanyl)ethyl 2-iodobenzoate","Acta Crystallographica Section E","2011","67","9","o2475","","10.1107/S1600536811034180","","","0.71073","MoKα","","0.0424","0.0319","","","0.0884","0.0961","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231756","7.4125","0.0014","22.201","0.004","9.4225","0.0017","90","","106.794","0.002","90","","1484.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ~2~-pyridine-2-carboxamide oximato)bis[(pyridine-2-carboxamide oxime)zinc] dinitrate","","- C24 H26 N14 O10 Zn2 -","- C24 H26 N14 O10 Zn2 -","- C48 H52 N28 O20 Zn4 -","2","0.5","XU5304","Deng, Xiao-Hui; Ran, Jing-Wen","Bis(μ~2~-pyridine-2-carboxamide oximato)bis[(pyridine-2-carboxamide oxime)zinc] dinitrate","Acta Crystallographica Section E","2011","67","9","m1323","m1324","10.1107/S1600536811034908","","","0.71073","MoKα","","0.0529","0.046","","","0.1114","0.1165","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231757","11.157","0.0005","12.3305","0.0005","14.9228","0.0005","90","","107.142","0.004","90","","1961.75","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(5,3'-Dimethyl-5'-oxo-2-phenyl-2',5'-dihydro-2<i>H</i>-[3,4']bipyrazol-1'- yl)benzenesulfonamide monohydrate","","- C20 H21 N5 O4 S -","- C20 H21 N5 O4 S -","- C80 H84 N20 O16 S4 -","4","1","XU5305","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng","4-(5,3'-Dimethyl-5'-oxo-2-phenyl-2',5'-dihydro-2<i>H</i>-[3,4']bipyrazol-1'-yl)benzenesulfonamide monohydrate","Acta Crystallographica Section E","2011","67","9","o2474","","10.1107/S1600536811034453","","","0.71073","MoKα","","0.0721","0.0484","","","0.1122","0.1302","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231758","7.1105","0.0003","12.7807","0.0005","17.5318","0.0007","72.491","0.004","89.901","0.003","74.457","0.003","1458.45","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","3,4-dihydroxybenzoic acid monohydrate","","- C7 H8 O5 -","- C7 H8 O5 -","- C56 H64 O40 -","8","4","XU5306","Ng, Seik Weng","A triclinic modification of 3,4-dihydroxybenzoic acid monohydrate","Acta Crystallographica Section E","2011","67","9","o2476","","10.1107/S1600536811034635","","","1.54184","CuKα","","0.0585","0.0561","","","0.1593","0.1608","","","","","","1.153","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231759","7.9405","0.001","15.8861","0.0019","12.6312","0.0016","90","","99.531","0.002","90","","1571.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorido(10,11,12,13-tetrahydro-4,5,9,14-tetraazabenzo[<i>b</i>]triphenylene- κ^2^<i>N</i>^4^,<i>N</i>^5^)copper(I)","","- C18 H14 Cl Cu N4 -","- C17.994 H14 Cl Cu N4 -","- C71.976 H56 Cl4 Cu4 N16 -","4","1","XU5308","Hong, Jun; Li, Xiu-Ying; Ng, Seik Weng","Chlorido(10,11,12,13-tetrahydro-4,5,9,14-tetraazabenzo[<i>b</i>]triphenylene-κ^2^<i>N</i>^4^,<i>N</i>^5^)copper(I)","Acta Crystallographica Section E","2011","67","9","m1322","","10.1107/S1600536811034817","","","0.71073","MoKα","","0.0778","0.0423","","","0.0989","0.1189","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231760","38.558","0.0006","13.2052","0.0002","9.9623","0.0002","90","","95.339","0.001","90","","5050.46","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1-decyl-1<i>H</i>-benzimidazole","","- C27 H36 N4 -","- C27 H36 N4 -","- C216 H288 N32 -","8","2","XU5311","Ennajih, Hamid; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1-decyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2011","67","9","o2544","","10.1107/S160053681103501X","","","0.71073","MoKα","","0.105","0.0561","","","0.141","0.1649","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231761","9.906","0.003","10.542","0.005","22.87","0.005","90","","90","","90","","2388.3","1.4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]benzohydrazide","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","1","XU6116","Shan, Shang; Huang, Yan-Lan; Guo, Han-Qi; Li, Deng-Feng; Sun, Jian","(<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","9","o2498","","10.1107/S1600536811033101","","","0.71073","MoKα","","0.067","0.0408","","","0.0919","0.1008","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231762","3.8571","0.0002","10.9189","0.0007","15.784","0.001","78.297","0.005","87.301","0.005","88.809","0.005","650.16","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","trans-N-(4-azobenzene)maleimide","1-[(<i>E</i>)-4-(Phenyldiazenyl)phenyl]-3-pyrroline-2,5-dione","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C32 H22 N6 O4 -","2","1","YA2141","Rusu, Elena; Shova, Sergiu; Rusu, Gheorghe","1-[(<i>E</i>)-4-(Phenyldiazenyl)phenyl]-3-pyrroline-2,5-dione","Acta Crystallographica Section E","2011","67","9","o2333","","10.1107/S160053681103193X","","","0.71073","MoKα","","0.047","0.039","","","0.103","0.107","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231763","7.8417","0.0015","7.1058","0.0013","25.585","0.005","90","","93.405","0.004","90","","1423.1","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea","","- C14 H12 Cl N3 O S -","- C14 H12 Cl N3 O S -","- C56 H48 Cl4 N12 O4 S4 -","4","1","YK2015","Yusof, M.Sukeri M.; Mushtari, Nurwahyuni A.; Kadir, Maisara A.; Yamin, Bohari M.","1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea","Acta Crystallographica Section E","2011","67","9","o2367","","10.1107/S1600536811032375","","","0.71073","MoKα","","0.0891","0.0531","","","0.1214","0.1391","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231764","7.3918","0.0009","12.4699","0.0016","13.6367","0.0017","89.774","0.002","78.556","0.002","74.153","0.002","1183.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethane-1,2-diaminium bis{5-[4-(1<i>H</i>-tetrazol-5-yl)phenyl]tetrazolide} dihydrate","","- C18 H24 N18 O2 -","- C18 H24 N18 O2 -","- C36 H48 N36 O4 -","2","1","YK2016","Li, Chun-Rong; Xia, Zheng-Qiang","Ethane-1,2-diaminium bis{5-[4-(1<i>H</i>-tetrazol-5-yl)phenyl]tetrazolide} dihydrate","Acta Crystallographica Section E","2011","67","9","o2481","","10.1107/S1600536811034143","","","0.71073","MoKα","","0.0533","0.042","","","0.1109","0.1216","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231765","9.4019","0.0002","9.6025","0.0002","10.466","0.0002","103.888","0.001","114.075","0.001","92.469","0.001","826.81","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Bromophenyl)-2,3,3a,4,5,11c-hexahydrobenzo[<i>f</i>]furo[3,2- <i>c</i>]quinoline","","- C21 H18 Br N O -","- C21 H18 Br N O -","- C42 H36 Br2 N2 O2 -","2","1","ZB2015","Wu, Nan; Zhang, Rongli; Li, Xinnian; Xu, Xin; Xu, Zhou","4-(4-Bromophenyl)-2,3,3a,4,5,11c-hexahydrobenzo[<i>f</i>]furo[3,2-<i>c</i>]quinoline","Acta Crystallographica Section E","2011","67","9","o2285","","10.1107/S1600536811031084","","","0.71073","MoKα","","0.0505","0.0332","","","0.0691","0.0761","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231766","7.6615","0.001","12.2005","0.0016","15.545","0.002","90","","90","","90","","1453.1","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,15-Dimethoxy-10-methyltricyclo[9.4.0.0^2,7^]pentadeca- 1(11),2(7),3,5,9,12,14-heptaen-8-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","ZJ2016","Zhu, Yaomin; Yang, Jianfei; Li, Xianfei; Zhou, Le","3,15-Dimethoxy-10-methyltricyclo[9.4.0.0^2,7^]pentadeca-1(11),2(7),3,5,9,12,14-heptaen-8-one","Acta Crystallographica Section E","2011","67","9","o2282","","10.1107/S160053681103100X","","","0.71073","MoKα","","0.0544","0.0369","","","0.0798","0.0898","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231767","5.4326","0.0004","22.5218","0.0016","9.7358","0.0005","90","","101.676","0.006","90","","1166.55","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-<i>N</i>-methyl-1<i>H</i>-pyrrole-2-carboxamide","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","ZK2014","Wang, Chang Jun; Zeng, Xiang Chao; Xu, Shi Hai","A second monoclinic polymorph of 1-benzyl-<i>N</i>-methyl-1<i>H</i>-pyrrole-2-carboxamide","Acta Crystallographica Section E","2011","67","9","o2235","","10.1107/S1600536811030364","","","0.71073","MoKα","","0.1008","0.0632","","","0.1452","0.1687","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231768","7.3992","0.0015","10.373","0.002","11.442","0.002","82.42","0.03","81.77","0.03","76.1","0.03","839.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Aqua(2,9'-dimethyl-1,10'-phenanthroline-κ^2^<i>N</i>,<i>N</i>')diformato- κ^2^<i>O</i>,<i>O'</i>;κ<i>O</i>-nickel(II) monohydrate","","- C16 H18 N2 Ni O6 -","- C16 H18 N2 Ni O6 -","- C32 H36 N4 Ni2 O12 -","2","1","ZK2016","Xia, Ping; Lin, Jian-Li; Ni, Sheng-Liang","Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')diformato-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-nickel(II) monohydrate","Acta Crystallographica Section E","2011","67","9","m1181","","10.1107/S1600536811030558","","","0.71073","MoKα","","0.0494","0.0353","","","0.0835","0.1178","","","","","","1.219","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231769","25.113","0.004","5.5065","0.0006","12.648","0.003","90","","97.845","0.012","90","","1732.7","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diaquabis(2-hydroxy-5-methoxybenzoato-κ<i>O</i>^1^)zinc(II)","","- C16 H18 O10 Zn -","- C16 H18 O10 Zn -","- C64 H72 O40 Zn4 -","4","0.5","ZK2017","Li, Tao; Tang, Li-Rong; Yang, Lin; Huang, Biao","Diaquabis(2-hydroxy-5-methoxybenzoato-κ<i>O</i>^1^)zinc","Acta Crystallographica Section E","2011","67","9","m1262","","10.1107/S1600536811030893","","","0.71073","MoKα","","0.0314","0.0299","","","0.0812","0.0824","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231770","8.3093","0.0002","8.6868","0.0002","12.0788","0.0003","90","","101.741","0.001","90","","853.62","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dibromidobis(1-ethyl-3-methylimidazol-2-ylidene)palladium(II)","","- C12 H20 Br2 N4 Pd -","- C12 H20 Br2 N4 Pd -","- C24 H40 Br4 N8 Pd2 -","2","0.5","ZK2019","Madsen, Solveig R.; Lock, Nina; Overgaard, Jacob; Iversen, Bo B.","<i>trans</i>-Dibromidobis(1-ethyl-3-methylimidazol-2-ylidene)palladium(II)","Acta Crystallographica Section E","2011","67","9","m1205","","10.1107/S1600536811030480","","","0.71073","MoKα","","0.0615","0.0439","","","","0.1674","","","","","","1.634","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231771","5.52","0.007","6.715","0.009","17.21","0.02","93.41","0.02","93.952","0.013","106.52","0.02","608","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua[4-(hydroxyiminomethyl)pyridine-κ<i>N</i>^1^](iminodiacetato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","","- C10 H13 Cu N3 O6 -","- C10 H13 Cu N3 O6 -","- C20 H26 Cu2 N6 O12 -","2","1","ZK2022","Yang, Yisheng; Chai, Wenxiang; Song, Li; Yang, Yunyun; Chen, Jiongke","Aqua[4-(hydroxyiminomethyl)pyridine-κ<i>N</i>^1^](iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2011","67","9","m1291","m1292","10.1107/S1600536811033459","","","0.71075","MoKα","","0.0531","0.0408","","","0.0884","0.0947","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231772","8.3347","0.0009","10.6029","0.0012","13.4262","0.0016","87.907","0.019","81.026","0.018","82.024","0.017","1160.5","0.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","3-[4-(2-Chlorobenzylideneamino)-3-methyl-5-sulfanylidene-4,5-dihydro- 1<i>H</i>-1,2,4-triazol-1-yl]-1,3-diphenylpropan-1-one","","- C25 H21 Cl N4 O S -","- C25 H21 Cl N4 O S -","- C50 H42 Cl2 N8 O2 S2 -","2","1","ZK2023","Wang, Wei; Liu, Qing-lei; Gao, Yan; Wu, Wen-peng; Xu, Chao","3-[4-(2-Chlorobenzylideneamino)-3-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl]-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2011","67","9","o2379","","10.1107/S1600536811032983","","","0.71073","MoKα","","0.0839","0.0554","","","0.1125","0.1273","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231773","8.1389","0.0006","10.1788","0.0007","21.7669","0.0015","90","","90","","90","","1803.3","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Hydroxy-4,8-dimethyl-12-(pyrrolidin-1-ylmethyl)-3,14- dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C76 H116 N4 O16 -","4","1","ZL2390","Moumou, Mohamed; Benharref, Ahmed; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed; Berraho, Moha","9-Hydroxy-4,8-dimethyl-12-(pyrrolidin-1-ylmethyl)-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2011","67","9","o2226","o2227","10.1107/S1600536811030467","","","0.71073","MoKα","","0.1025","0.0448","","","0.0961","0.1211","","","","","","0.99","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231774","6.2999","0.0009","15.001","0.002","17.743","0.002","90","","92.011","0.003","90","","1675.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclopentyl-2-methyl-3-phenylsulfonyl-1-benzofuran","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","1","ZL2391","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-Cyclopentyl-2-methyl-3-phenylsulfonyl-1-benzofuran","Acta Crystallographica Section E","2011","67","9","o2223","","10.1107/S160053681103042X","","","0.71073","MoKα","","0.0659","0.0518","","","0.1208","0.1298","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231775","16.013","0.0015","16.013","0.0015","35.557","0.003","90","","90","","90","","9117.4","1.4","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","<i>trans</i>-Carbonylchloridobis[dicyclohexyl(4- isopropylphenyl)phosphane]rhodium(I) acetone monosolvate","","- C46 H72 Cl O2 P2 Rh -","- C46 H72 Cl O2 P2 Rh -","- C368 H576 Cl8 O16 P16 Rh8 -","8","1","ZL2392","Makhoba, Sizwe; Muller, Alfred; Meijboom, Reinout; Omondi, Bernard","<i>trans</i>-Carbonylchloridobis[dicyclohexyl(4-isopropylphenyl)phosphane]rhodium(I) acetone monosolvate","Acta Crystallographica Section E","2011","67","9","m1286","m1287","10.1107/S1600536811033447","","","0.71073","MoKα","","0.0402","0.0297","","","","0.0589","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231776","12.582","0.003","9.3868","0.0017","7.3565","0.0014","90","","91.963","0.006","90","","868.3","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-dinitro-p-xylene","2,5-Dimethyl-1,3-dinitrobenzene","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C32 H32 N8 O16 -","4","1","ZL2394","Johnston, Dean H.; Crather, Heather M.","2,5-Dimethyl-1,3-dinitrobenzene","Acta Crystallographica Section E","2011","67","9","o2276","o2277","10.1107/S1600536811031424","","","0.71073","MoKα","","0.0478","0.0385","","","0.0982","0.1031","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231777","13.245","0.003","9.348","0.0019","13.754","0.003","90","","110.14","0.03","90","","1598.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxylate","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","ZL2397","Zhang, Chun-Hua; Zhao, Jing-Min; Chen, Bao-Guo","Dimethyl 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2011","67","9","o2362","o2363","10.1107/S1600536811032521","","","0.71073","MoKα","","0.2507","0.0735","","","0.0552","0.0805","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231778","8.009","0.0002","9.8607","0.0003","11.7209","0.0003","70.471","0.002","83.171","0.002","69.583","0.002","817.59","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran","","- C20 H12 Br F O2 S -","- C20 H12 Br F O2 S -","- C40 H24 Br2 F2 O4 S2 -","2","1","ZL2399","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-Bromo-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","9","o2346","","10.1107/S1600536811032387","","","0.71073","MoKα","","0.042","0.0321","","","0.078","0.0823","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231779","8.141","0.003","8.306","0.003","8.816","0.005","114.683","0.006","101.989","0.005","108.258","0.004","473.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[copper(I)-bis[μ-3-(1<i>H</i>-imidazol-2-yl)pyridine]- copper(I)-di-μ-iodido]","","- C16 H14 Cu2 I2 N6 -","- C16 H14 Cu2 I2 N6 -","- C16 H14 Cu2 I2 N6 -","1","0.5","ZL2401","Zhan, Qing-Guang","<i>catena</i>-Poly[copper(I)-bis[μ-3-(1<i>H</i>-imidazol-2-yl)pyridine]-copper(I)-di-μ-iodido]","Acta Crystallographica Section E","2011","67","9","m1288","","10.1107/S1600536811033605","","","0.71073","MoKα","","0.0359","0.0313","","","0.0753","0.08","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231780","9.992","0.001","11.2591","0.0011","20.883","0.002","90","","98.658","0.001","90","","2322.6","0.4","298","2","298","2","","","","","","","","8","P 1 c 1","P -2yc","7","","[6-(4-Bromophenyl)-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate","","- C52 H41 B Br Cu F4 N2 P2 -","- C52 H41 B Br Cu F4 N2 P2 -","- C104 H82 B2 Br2 Cu2 F8 N4 P4 -","2","1","ZQ2111","Lin, Yan-Ru; Huang, Jun-Sheng; Zhong, Ming-Hua","[6-(4-Bromophenyl)-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate","Acta Crystallographica Section E","2011","67","9","m1187","","10.1107/S1600536811029515","","","0.71073","MoKα","","0.0906","0.0556","","","0.1256","0.142","","","","","","0.949","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231781","8.132","0.01","9.736","0.011","15.54","0.018","99.742","0.016","99.636","0.011","105.551","0.014","1139","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","7-Benzyl-3-(4-fluorophenyl)-2-(pyrrolidin-1-yl)-5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","","- C26 H25 F N4 O S -","- C26 H25 F N4 O S -","- C52 H50 F2 N8 O2 S2 -","2","1","ZQ2114","Chen, Hong; Hu, Hai-Jun; Yan, Kai; Dai, Qiu-Hong","7-Benzyl-3-(4-fluorophenyl)-2-(pyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","9","o2228","","10.1107/S1600536811030625","","","0.71073","MoKα","","0.0817","0.0644","","","0.1638","0.1803","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231782","8.8731","0.0009","19.9044","0.0018","10.5292","0.0011","90","","96.689","0.001","90","","1846.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorophenyl)-1-methyl-3-phenyl-3,6,8,9- tetrahydropyrazolo[3,4-<i>b</i>]thiopyrano[4,3-<i>d</i>]pyridine","","- C22 H18 Cl N3 S -","- C22 H18 Cl N3 S -","- C88 H72 Cl4 N12 S4 -","4","1","ZQ2115","Jia, Runhong; Peng, Juhua","5-(4-Chlorophenyl)-1-methyl-3-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-<i>b</i>]thiopyrano[4,3-<i>d</i>]pyridine","Acta Crystallographica Section E","2011","67","9","o2421","o2422","10.1107/S1600536811033514","","","0.71073","MoKα","","0.0886","0.0459","","","0.0972","0.1181","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231783","16.898","0.003","12.643","0.003","9.422","0.0019","90","","90","","90","","2012.9","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Diethyl 2,5-bis[(1<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]thiophene-3,4-dicarboxylate","","- C20 H20 N4 O4 S -","- C20 H20 N4 O4 S -","- C80 H80 N16 O16 S4 -","4","1","ZQ2118","Dufresne, Stéphane; Skene, W. G.","Diethyl 2,5-bis[(1<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]thiophene-3,4-dicarboxylate","Acta Crystallographica Section E","2011","67","9","o2302","","10.1107/S1600536811031576","","","1.54178","CuKα","","0.024","0.0238","","","0.0643","0.0644","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231784","11.083","0.005","11.083","0.005","9.548","0.005","90","","90","","90","","1172.8","1","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Tetrakis(picolinato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dihydrate","","- C24 H20 N4 O10 Zr -","- C24 H20 N4 O10 Zr -","- C48 H40 N8 O20 Zr2 -","2","0.25","ZQ2119","Steyn, Maryke; Visser, Hendrik G.; Roodt, Andreas; Muller, T. J.","Tetrakis(picolinato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dihydrate","Acta Crystallographica Section E","2011","67","9","m1240","m1241","10.1107/S1600536811031710","","","0.71073","MoKα","","0.0447","0.0374","","","","0.1002","","","","","","1.098","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231785","5.2212","0.0002","9.6032","0.0005","18.4081","0.0008","90","","96.329","0.004","90","","917.36","0.07","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-Methyl-L-leucyl-L-leucine hydrochloride monohydrate","","- C13 H29 Cl N2 O4 -","- C13 H29 Cl N2 O4 -","- C26 H58 Cl2 N4 O8 -","2","1","ZS2126","Lu, Tao; Xu, Mu-Wu; Liao, Xiao-Jian; Xu, Shi-Hai","<i>N</i>-Methyl-<small>L</small>-leucyl-<small>L</small>-leucine hydrochloride monohydrate","Acta Crystallographica Section E","2011","67","9","o2394","","10.1107/S1600536811031126","","","0.7107","MoKα","","0.0507","0.0419","","","0.1069","0.1136","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231786","11.764","0.002","14.786","0.003","15.004","0.003","90","","100.73","0.03","90","","2564.2","0.9","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{μ-6,6'-Dimethoxy-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenolato}trinitratocopper(II)samarium(III)","","- C20 H22 Cu N5 O13 Sm -","- C20 H22 Cu N5 O13 Sm -","- C80 H88 Cu4 N20 O52 Sm4 -","4","1","ZS2129","Xing, Jing-Chun; Zhang, Bing; Li, Wen-Zhi; Cui, Xiao-Guang","{μ-6,6'-Dimethoxy-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}trinitratocopper(II)samarium(III)","Acta Crystallographica Section E","2011","67","9","m1212","","10.1107/S1600536811031138","","","0.71073","MoKα","","0.0324","0.0257","","","0.0577","0.0615","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231787","5.8612","0.0006","8.2313","0.0008","10.8659","0.0011","105.64","0.001","97.6785","0.0012","97.931","0.001","491.91","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')[μ-2,2'-(<i>p</i>- phenylenedioxy)diacetato-κ^2^<i>O</i>:<i>O</i>']cadmium]","","- C20 H20 Cd N2 O8 -","- C20 H20 Cd N2 O8 -","- C20 H20 Cd N2 O8 -","1","0.5","ZS2132","Wang, Guang-Yin","Poly[diaqua(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')[μ-2,2'-(<i>p</i>-phenylenedioxy)diacetato-κ^2^<i>O</i>:<i>O</i>']cadmium]","Acta Crystallographica Section E","2011","67","9","m1248","","10.1107/S1600536811031400","","","0.71073","MoKα","","0.0273","0.0267","","","0.0666","0.0669","","","","","","1.142","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231788","12.707","0.007","8.669","0.005","14.257","0.008","90","","114.14","0.005","90","","1433.2","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[(<i>E</i>)-4-(Methylsulfonyl)benzylidene]-3-nitroaniline","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","ZS2133","Chen, Yue-Hu; Ge, Rong-Bao; Liu, Hua-Jian; Qian, Shao-Song","<i>N</i>-[(<i>E</i>)-4-(Methylsulfonyl)benzylidene]-3-nitroaniline","Acta Crystallographica Section E","2011","67","9","o2291","","10.1107/S1600536811031539","","","0.71073","MoKα","","0.0571","0.0369","","","0.0846","0.1023","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231789","15.514","0.003","7.967","0.003","18.527","0.005","90","","90.6","0.02","90","","2289.8","1.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1^4^,5^4^-Dichloro-3(2,7),7(2,7)-dinaphthalena-2,4,6,8- tetraoxa-1(2,6),5(2,6)-di(1,3,5-triazina)octaphane Dichlorotetraoxacalix[2]naphthalene[2]triazine","5,19-dichloro-2,8,16,22-tetraoxa-4,6,18,20,32,36- hexaazaheptacyclo[21.5.3.2^9,12^.1^3,7^.1^11,15^.1^17,21^.0^26,30^] hexatriaconta- 1(29),3,5,7(36),9,11,13,15(33),17(32),18,20,23(31),24,26(30),27,34-hexadecaene","","- C26 H12 Cl2 N6 O4 -","- C26 H12 Cl2 N6 O4 -","- C104 H48 Cl8 N24 O16 -","4","1","ZS2134","Sang, Qiu-Guang; Yang, Jing-Kui","1^4^,5^4^-Dichloro-3(2,7),7(2,7)-dinaphthalena-2,4,6,8-tetraoxa-1(2,6),5(2,6)-di(1,3,5-triazina)octaphane","Acta Crystallographica Section E","2011","67","9","o2525","","10.1107/S160053681103460X","","","0.71073","MoKα","","0.0984","0.0565","","","0.1053","0.1234","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231790","12.4335","0.0006","10.451","0.0004","11.9293","0.0007","90","","93.18","0.005","90","","1547.74","0.13","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Chlorobis(naphthalen-1-yl)phosphane","","- C20 H14 Cl P -","- C20 H14 Cl P -","- C80 H56 Cl4 P4 -","4","1","ZS2136","Foi, Ana; Suarez, Sebastian A.; Doctorovich, Fabio","Chlorobis(naphthalen-1-yl)phosphane","Acta Crystallographica Section E","2011","67","9","o2524","","10.1107/S1600536811033782","","","0.71073","MoKα","","0.1094","0.0386","","","","0.079","","","","","","0.776","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231791","6.8392","0.0002","16.9759","0.0008","17.6637","0.001","90.337","0.004","94.429","0.004","92.232","0.003","2043.03","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","8-Hydroxy-2-methylquinolinium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)stannate(IV) methanol monosolvate","","- C16 H17 Cl4 N3 O4 Sn -","- C16 H17 Cl4 N3 O4 Sn -","- C64 H68 Cl16 N12 O16 Sn4 -","4","2","ZS2137","Vafaee, Marzieh; Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","8-Hydroxy-2-methylquinolinium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)stannate(IV) methanol monosolvate","Acta Crystallographica Section E","2011","67","9","m1246","","10.1107/S1600536811032296","","","0.71073","MoKα","","0.0529","0.0375","","","0.1055","0.1164","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231792","7.8073","0.0009","9.7598","0.0011","31.043","0.002","90","","90","","90","","2365.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7<i>R</i>,8<i>S</i>,9<i>S</i>,12<i>S</i>)- 1-(4-Chlorobenzyloxy)-13,14-didehydro-12-hydroxy- 2,13-dimethoxy-<i>N</i>-methylmorphinane","","- C26 H30 Cl N O4 -","- C26 H30 Cl N O4 -","- C104 H120 Cl4 N4 O16 -","4","1","ZS2138","Zheng, Xing-Liang; Jiang, Ning-Fei; Gao, Hong-Sheng; Luo, Dan; Ding, Ai-Shun","(7<i>R</i>,8<i>S</i>,9<i>S</i>,12<i>S</i>)-1-(4-Chlorobenzyloxy)-13,14-didehydro-12-hydroxy-2,13-dimethoxy-<i>N</i>-methylmorphinane","Acta Crystallographica Section E","2011","67","9","o2480","","10.1107/S160053681103443X","","","0.71073","MoKα","","0.0514","0.0423","","","0.1168","0.1248","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231793","14.437","0.002","25.882","0.003","8.1047","0.0002","90","","98.205","0.003","90","","2997.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>'-(9<i>H</i>-fluoren-9-ylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)","","- C40 H26 Cu N4 O2 -","- C40 H26 Cu N4 O2 -","- C160 H104 Cu4 N16 O8 -","4","1","BX2365","Yan-Ling Guo; Wei Dou; Wei-Sheng Liu; Hong-Rui Zhang","Bis[<i>N</i>'-(9<i>H</i>-fluoren-9-ylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)","Acta Crystallographica, Section E","2011","67","11","m1484","m1485","10.1107/S1600536811038931","","","0.71073","MoKα","","0.1934","0.0702","","","0.1611","0.2267","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231794","9.2216","0.0014","10.1064","0.0016","14.335","0.002","73.723","0.002","73.501","0.002","75.199","0.002","1207","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cd N4 O8 -","- C24 H20 Cd N4 O8 -","- C48 H40 Cd2 N8 O16 -","2","1","JH2323","Cai-Juan Zhao; Rui-Feng Zhang","[2,2'-Bis(pyridin-2-ylmethoxy)biphenyl-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium","Acta Crystallographica, Section E","2011","67","11","m1487","m1487","10.1107/S1600536811039687","","","0.71073","MoKα","","0.0312","0.0253","","","0.0616","0.0648","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231795","11.0458","0.0019","14.816","0.003","12.273","0.002","90","","99.031","0.003","90","","1983.6","0.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[bis(1<i>H</i>-pyrazol-1-yl)methane-κ^2^<i>N</i>^2^,<i>N</i>^2'^](formato- κ^2^<i>O</i>,<i>O</i>')copper(II) perchlorate","","- C15 H17 Cl Cu N8 O6 -","- C15 H17 Cl Cu N8 O6 -","- C60 H68 Cl4 Cu4 N32 O24 -","4","1","JH2326","Cai-Juan Zhao; Rui-Feng Zhang","Bis[bis(1<i>H</i>-pyrazol-1-yl)methane-κ^2^<i>N</i>^2^,<i>N</i>^2'^](formato-κ^2^<i>O</i>,<i>O</i>')copper(II) perchlorate","Acta Crystallographica, Section E","2011","67","11","m1486","m1486","10.1107/S1600536811039675","","","0.71073","MoKα","","0.0801","0.0524","","","0.1382","0.1653","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231796","8.4866","0.0002","14.8476","0.0004","10.1406","0.0003","90","","100.734","0.002","90","","1255.41","0.06","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[bis(<i>N</i>,<i>N</i>-dimethylacetamide)-1κ<i>O</i>,2κ<i>O</i>- bis(μ~4~-thiophene-2,5-dicarboxylato- 1:2:1':2'κ^4^<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^5^:<i>O</i>^5'^)dizinc]","","- C20 H22 N2 O10 S2 Zn2 -","- C20 H21.982 N2 O10 S2 Zn2 -","- C40 H43.964 N4 O20 S4 Zn4 -","2","0.5","XU5337","Du, Ming-Ming; Ng, Seik Weng","Poly[bis(<i>N</i>,<i>N</i>-dimethylacetamide)-1κ<i>O</i>,2κ<i>O</i>-bis(μ~4~-thiophene-2,5-dicarboxylato-1:2:1':2'κ^4^<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^5^:<i>O</i>^5'^)dizinc]","Acta Crystallographica, Section E","2011","67","11","m1488","m1488","10.1107/S160053681103981X","","","0.71073","MoKα","","0.0529","0.0339","","","0.0823","0.0886","","","","","","0.934","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231797","8.926","0.004","27.537","0.012","11.719","0.005","90","","101.97","0.004","90","","2818","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Benzyl-2-[(triphenyl-λ^5^-phosphanylidene)amino]-4,5,6,7- tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carbonitrile","","- C33 H28 N3 P S -","- C33 H28 N3 P S -","- C132 H112 N12 P4 S4 -","4","1","AA2019","Chen, Hong; Yan, Kai","6-Benzyl-2-[(triphenyl-λ^5^-phosphanylidene)amino]-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2011","67","10","o2548","","10.1107/S1600536811035082","","","0.71073","MoKα","","0.0628","0.0537","","","0.1372","0.1446","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231798","14.844","0.003","4.5731","0.0009","11.814","0.002","90","","95.88","0.03","90","","797.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 4,4'-(diazenediyl)dibenzoate","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","0.5","AA2020","Niu, Yongsheng; Huang, Jianping; Zhao, Chunpu; Gao, Pan; Yu, Youzhu","Diethyl 4,4'-(diazenediyl)dibenzoate","Acta Crystallographica Section E","2011","67","10","o2671","","10.1107/S1600536811036877","","","0.71073","MoKα","","0.0584","0.0499","","","0.1397","0.1486","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231799","12.7","0.003","21.447","0.004","9.114","0.0018","90","","95.84","0.03","90","","2469.6","0.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)cobalt(II) hydrogen phosphate","","- C18 H19 Co N12 O4 P -","- C18 H19 Co N12 O4 P -","- C72 H76 Co4 N48 O16 P4 -","4","1","AA2021","Liang, Zhiqiang; Wang, Fuxiang; Wu, Qihui; Zhi, Xia; Pan, Qinhe","Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)cobalt(II) hydrogen phosphate","Acta Crystallographica Section E","2011","67","10","m1399","","10.1107/S1600536811037299","","","0.71073","MoKα","","0.1428","0.0765","","","0.1303","0.1519","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231800","10.435","0.002","14.36","0.003","8.2922","0.0017","90","","96.925","0.003","90","","1233.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(1<i>H</i>-Benzimidazol-1-yl)methyl]benzoic acid","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","AA2023","Kuai, Hai-Wei; Cheng, Xiao-Chun","Monoclinic polymorph of 4-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section E","2011","67","10","o2787","","10.1107/S1600536811039043","","","0.71073","MoKα","","0.0691","0.041","","","0.0745","0.0821","","","","","","0.823","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231801","14.2105","0.0012","21.5452","0.0019","7.7064","0.0007","90","","102.063","0.002","90","","2307.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Aquabis(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)iodidomanganese(II) iodide dihydrate","","- C16 H18 I2 Mn N8 O3 -","- C16 H18 I2 Mn N8 O3 -","- C64 H72 I8 Mn4 N32 O12 -","4","1","AA2026","Ha, Kwang","<i>cis</i>-Aquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iodidomanganese(II) iodide dihydrate","Acta Crystallographica Section E","2011","67","10","m1414","","10.1107/S1600536811037810","","","0.71073","MoKα","","0.0833","0.0372","","","0.0715","0.0961","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231802","17.993","0.006","11.77","0.004","23.428","0.007","90","","106.981","0.004","90","","4745","3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aqua(dicyanamido-κ<i>N</i>^1^)(2,9-dimethyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)‒ 2,9-dimethyl-1,10-phenanthroline‒water (2/1/2)","","- C46 H44 Co2 N14 O10 -","- C46 H44 Co2 N14 O10 -","- C184 H176 Co8 N56 O40 -","4","0.5","BH2369","Cui, Feng-Hua; Zhao, Pei-Zheng","Aqua(dicyanamido-κ<i>N</i>^1^)(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)‒2,9-dimethyl-1,10-phenanthroline‒water (2/1/2)","Acta Crystallographica Section E","2011","67","10","m1341","m1342","10.1107/S1600536811035148","","","0.71073","MoKα","","0.1049","0.0656","","","0.1685","0.1959","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231803","8.5081","0.0003","8.5573","0.0003","10.0117","0.0004","94.671","0.003","106.903","0.002","98.334","0.003","684.16","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 1-(2-hydroxyethyl)-2-propyl-1<i>H</i>-benzimidazole-5-carboxylate","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","BH2376","Hamzah, Nurasyikin; Ngah, Nurziana; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad","Ethyl 1-(2-hydroxyethyl)-2-propyl-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2011","67","10","o2704","","10.1107/S1600536811037421","","","0.71073","MoKα","","0.0433","0.0358","","","0.0827","0.0865","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231804","12.9184","0.0009","20.7309","0.0016","20.6731","0.0015","90","","94.077","0.001","90","","5522.5","0.7","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(tetra-<i>n</i>-butylammonium) (5-chloro-2-methylphenylimido)- μ~6~-oxido-dodeca-μ~2~-oxido-pentaoxidohexamolybdate(VI)","","- C39 H78 Cl Mo6 N3 O18 -","- C39 H78 Cl Mo6 N3 O18 -","- C156 H312 Cl4 Mo24 N12 O72 -","4","1","BH2377","Li, Qiang; Xiao, Zichen; Chen, Liye; Zhang, Jin","A new mono-functionalized organoimido hexamolybdate derivative: bis(tetra-<i>n</i>-butylammonium) (5-chloro-2-methylphenylimido)-μ~6~-oxido-dodeca-μ~2~-oxido-pentaoxidohexamolybdate(VI)","Acta Crystallographica Section E","2011","67","10","m1404","m1405","10.1107/S1600536811036063","","","0.71073","MoKα","","0.0837","0.0486","","","0.1053","0.1184","","","","","","0.93","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231805","7.6882","0.0018","9.151","0.002","10.939","0.003","98.536","0.005","97.787","0.005","101.489","0.005","734.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(4-Chlorobutanoyl)-<i>N</i>'-(2,5-dimethoxyphenyl)thiourea","","- C13 H17 Cl N2 O3 S -","- C13 H17 Cl N2 O3 S -","- C26 H34 Cl2 N4 O6 S2 -","2","1","BH2378","Yusof, M. Sukeri M.; Azmi, Norafiqah R.; Yamin, Bohari M.","<i>N</i>-(4-Chlorobutanoyl)-<i>N</i>'-(2,5-dimethoxyphenyl)thiourea","Acta Crystallographica Section E","2011","67","10","o2609","","10.1107/S1600536811036002","","","0.71073","MoKα","","0.0457","0.0394","","","0.1002","0.1049","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231806","23.6375","0.0004","9.126","0.0001","20.2269","0.0003","90","","93.976","0.001","90","","4352.76","0.11","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","{μ-1,2-Bis[bis(4-methoxyphenyl)phosphanyl]-1,2-diethylhydrazine- κ^2^<i>P</i>:<i>P</i>'}bis[chloridogold(I)] tetrahydrofuran disolvate","","- C40 H54 Au2 Cl2 N2 O6 P2 -","- C40 H54 Au2 Cl2 N2 O6 P2 -","- C160 H216 Au8 Cl8 N8 O24 P8 -","4","0.5","BH2379","Kriel, Frederik H.; Fernandes, Manuel A.; Coates, Judy","{μ-1,2-Bis[bis(4-methoxyphenyl)phosphanyl]-1,2-diethylhydrazine-κ^2^<i>P</i>:<i>P</i>'}bis[chloridogold(I)] tetrahydrofuran disolvate","Acta Crystallographica Section E","2011","67","10","m1426","","10.1107/S1600536811038499","","","0.71073","MoKα","","0.026","0.0224","","","0.0573","0.0585","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231807","12.6048","0.0002","7.3389","0.0002","14.3877","0.0003","90","","107.622","0.001","90","","1268.48","0.05","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((<i>E</i>)-{2-[<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>- pyrazol-4-yl)carboximidoyl]benzylidene}amino)-1,5-dimethyl-2-phenyl- 2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C30 H28 N6 O2 -","- C30 H28 N6 O2 -","- C60 H56 N12 O4 -","2","1","BH2383","Potgieter, Kim; Hosten, Eric; Gerber, Thomas; Betz, Richard","4-((<i>E</i>)-{2-[<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)carboximidoyl]benzylidene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","Acta Crystallographica Section E","2011","67","10","o2785","o2786","10.1107/S1600536811039158","","","0.71073","MoKα","","0.0494","0.0355","","","0.0748","0.0791","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231808","26.739","0.005","7.3613","0.0015","16.072","0.003","90","","120.67","0.03","90","","2721","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diiodidobis{4-[2-(2-methylphenyl)ethenyl]pyridine-κ<i>N</i>}cadmium","","- C28 H26 Cd I2 N2 -","- C28 H26 Cd I2 N2 -","- C112 H104 Cd4 I8 N8 -","4","0.5","BQ2302","Liu, Dong","Diiodidobis{4-[2-(2-methylphenyl)ethenyl]pyridine-κ<i>N</i>}cadmium","Acta Crystallographica Section E","2011","67","10","m1407","","10.1107/S1600536811037573","","","0.71073","MoKα","","0.0448","0.0289","","","0.0556","0.0582","","","","","","0.83","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231809","8.2747","0.0007","11.0464","0.0009","17.021","0.001","82.722","0.007","79.529","0.007","80.267","0.007","1500.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-<i>N</i>-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C60 H64 Cl4 N4 O8 S4 -","4","2","BQ2304","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme; Shakuntala, K.","4-Chloro-<i>N</i>-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","10","o2674","","10.1107/S1600536811037536","","","0.71073","MoKα","","0.1007","0.0658","","","0.1464","0.1663","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231810","5.5307","0.001","8.1324","0.0015","14.857","0.002","90","","95.12","0.004","90","","665.57","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-Chlorophenyl)-2-oxoethyl 4-hydroxybenzoate","","- C15 H11 Cl O4 -","- C15 H11 Cl O4 -","- C30 H22 Cl2 O8 -","2","1","BQ2305","Fun, Hoong-Kun; Shahani, Tara; Garudachari, B.; Isloor, Arun M.; Shivananda, Kammasandra N.","2-(4-Chlorophenyl)-2-oxoethyl 4-hydroxybenzoate","Acta Crystallographica Section E","2011","67","10","o2682","","10.1107/S1600536811037500","","","0.71073","MoKα","","0.0713","0.0443","","","0.0929","0.1057","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231811","12.021","0.001","7.5458","0.0007","16.837","0.001","90","","92.324","0.007","90","","1526","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","BQ2306","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","2,4-Dichloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","10","o2691","","10.1107/S1600536811037767","","","0.71073","MoKα","","0.0602","0.038","","","0.0988","0.1074","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231812","9.1755","0.0018","19.825","0.004","15.173","0.003","90","","90.88","0.03","90","","2759.7","0.9","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis(1,4,7-trithiacyclononane)nickel(II) bis(tetrafluoridoborate) nitromethane disolvate","","- C14 H30 B2 F8 N2 Ni O4 S6 -","- C14 H30 B2 F8 N2 Ni O4 S6 -","- C56 H120 B8 F32 N8 Ni4 O16 S24 -","4","1","BR2171","Lee, John P.; Grant, Gregory J.; Noll, Bruce C.","Bis(1,4,7-trithiacyclononane)nickel(II) bis(tetrafluoridoborate) nitromethane disolvate","Acta Crystallographica Section E","2011","67","10","m1417","m1418","10.1107/S1600536811037809","","","0.71073","MoKα","","0.0522","0.0373","","","0.0834","0.0902","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231813","9.76453","0.00004","9.69622","0.00004","10.95952","0.00004","90","","101.766","0.0002","90","","1015.83","0.007","297","","298","","101.325","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lithium cobalt(II) pyrophosphate","Lithium cobalt(II) pyrophosphate","","- Co Li1.865 O7 P2 -","- Co Li1.865 O7 P2 -","- Co8 Li14.92 O56 P16 -","8","2","BR2175","Zhou, Hui; Upreti, Shailesh; Chernova, Natasha A.; Whittingham, M. Stanley","Lithium cobalt(II) pyrophosphate, Li~1.86~CoP~2~O~7~, from synchrotron X-ray powder data","Acta Crystallographica Section E","2011","67","10","i58","i59","10.1107/S1600536811038451","powder diffraction","","0.413988","Synchrotron","","","","","","","","","","1.62","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231814","7.551","0.005","8.743","0.003","11.269","0.005","69.295","0.005","87.493","0.004","78.892","0.005","682.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]-2-[(1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide","","- C11 H9 Cl N4 O S2 -","- C11 H9 Cl N4 O S2 -","- C22 H18 Cl2 N8 O2 S4 -","2","1","BT5593","Mohan, S.; Ananthan, S.; Ramesh, P.; Saravanan, D.; Ponnuswamy, M. N.","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]-2-[(1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide","Acta Crystallographica Section E","2011","67","10","o2612","","10.1107/S1600536811035549","","","0.71073","MoKα","","0.0512","0.0427","","","0.1133","0.1214","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231815","13.3038","0.0009","13.3038","0.0009","22.7868","0.0011","90","","90","","90","","4033.1","0.4","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","1,8-Bis-(4-methoxy-3-nitrophenyl)naphthalene","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C192 H144 N16 O48 -","8","0.5","BT5623","Prabhakaran, Panchami; Puranik, Vedavati G.; Sanjayan, Gangadhar J.","1,8-Bis(4-methoxy-3-nitrophenyl)naphthalene","Acta Crystallographica Section E","2011","67","10","o2630","","10.1107/S1600536811036567","","","0.71073","MoKα","","0.0394","0.0348","","","0.085","0.0875","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231816","10.6936","0.0006","7.5331","0.0004","19.5654","0.0012","90","","96.647","0.002","90","","1565.52","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 1-phenylsulfonyl-1<i>H</i>-indole-2-carboxylate","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C68 H60 N4 O16 S4 -","4","1","BT5624","Ramathilagam, C.; Saravanan, V.; Mohanakrishnan, A. K.; Umarani, P. R.; Manivannan, V.","Ethyl 1-phenylsulfonyl-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section E","2011","67","10","o2549","","10.1107/S1600536811035392","","","0.71073","MoKα","","0.0603","0.042","","","0.1125","0.1291","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231817","7.29","0.0015","7.532","0.0015","14.09","0.003","87.31","0.03","81.36","0.03","80.78","0.03","754.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-methylpyrazine-2-carboxylato- κ^2^<i>N</i>^1^,<i>O</i>^2^)cadmium","","- C12 H14 Cd N4 O6 -","- C12 H14 Cd N4 O6 -","- C24 H28 Cd2 N8 O12 -","2","1","BT5630","Albanez, Joselyn; Brito, Iván; Cárdenas, Alejandro; López-Rodríguez, Matías","Diaquabis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)cadmium","Acta Crystallographica Section E","2011","67","10","m1339","m1340","10.1107/S1600536811035045","","","0.71073","MoKα","","0.0761","0.0578","","","0.1387","0.1589","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231818","10.864","0.0002","9.6125","0.0002","16.7242","0.0004","90","","106.608","0.002","90","","1673.65","0.06","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Dichloro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C17 H18 Cl2 N2 O2 -","- C17 H18 Cl2 N2 O2 -","- C68 H72 Cl8 N8 O8 -","4","1","BT5631","Rivera, Augusto; Sadat-Bernal, John; Ríos-Motta, Jaime; Pojarová, Michaela; Dušek, Michal","4,4'-Dichloro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2011","67","10","o2581","","10.1107/S1600536811035677","","","1.5418","CuKα","","0.0378","0.0353","","","0.098","0.1005","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231819","7.1001","0.0018","11.431","0.003","13.783","0.003","90","","93.403","0.006","90","","1116.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Chloro-3-(3-methylphenyl)-1,2,4-triazolo[4,3-<i>b</i>]pyridazine","","- C12 H9 Cl N4 -","- C12 H9 Cl N4 -","- C48 H36 Cl4 N16 -","4","1","BT5632","Preis, Jasmin; Schollmeyer, Dieter; Detert, Heiner","6-Chloro-3-(3-methylphenyl)-1,2,4-triazolo[4,3-<i>b</i>]pyridazine","Acta Crystallographica Section E","2011","67","10","o2551","","10.1107/S1600536811035288","","","0.71069","MoKα","","0.129","0.0499","","","0.1106","0.1324","","","","","","0.841","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231820","14.692","0.002","16.562","0.002","7.5254","0.001","90","","104.82","0.001","90","","1770.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-1-(4-Bromophenyl)ethylidene]-4-hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1,2-benzothiazine-3-carbohydrazide","","- C18 H16 Br N3 O4 S -","- C18 H16 Br N3 O4 S -","- C72 H64 Br4 N12 O16 S4 -","4","1","BT5633","Ahmad, Naveed; Zia-ur-Rehman, Muhammad; Siddiqui, Hamid Latif; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","<i>N</i>'-[(<i>E</i>)-1-(4-Bromophenyl)ethylidene]-4-hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1,2-benzothiazine-3-carbohydrazide","Acta Crystallographica Section E","2011","67","10","o2613","","10.1107/S1600536811035641","","","0.71073","MoKα","","0.0438","0.0288","","","0.0651","0.0703","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231821","9.2115","0.0002","11.584","0.0002","10.464","0.0002","90","","101.591","0.002","90","","1093.8","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[3-(5-Hydroxy-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5- yl)propyl]dimethylammonium 3-carboxyprop-2-enoate","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C48 H54 N2 O10 -","2","1","BT5634","Jasinski, Jerry P.; Golen, James A.; Siddegowda, M. S.; Yathirajan, H. S.; Narayana, B.","[3-(5-Hydroxy-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-yl)propyl]dimethylammonium 3-carboxyprop-2-enoate","Acta Crystallographica Section E","2011","67","10","o2600","o2601","10.1107/S1600536811036257","","","0.71073","MoKα","","0.0356","0.0334","","","0.091","0.0933","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231822","8.886","0.0004","9.3428","0.0005","12.1494","0.0006","72.289","0.003","74.319","0.002","63.429","0.002","848.63","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-Methyl 3-(4-chlorophenyl)-2-{2-[(<i>E</i>)-(hydroxyimino)methyl] phenoxymethyl}acrylate","","- C18 H16 Cl N O4 -","- C18 H16 Cl N O4 -","- C36 H32 Cl2 N2 O8 -","2","1","BT5635","SakthiMurugesan, K.; Govindan, E.; Srinivasan, J.; Bakthadoss, M.; SubbiahPandi, A.","(<i>E</i>)-Methyl 3-(4-chlorophenyl)-2-{2-[(<i>E</i>)-(hydroxyimino)methyl]phenoxymethyl}acrylate","Acta Crystallographica Section E","2011","67","10","o2754","","10.1107/S1600536811038372","","","0.71073","MoKα","","0.079","0.0511","","","0.1404","0.1613","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231823","8.9721","0.0007","21.7653","0.0019","7.3725","0.0005","90","","120.214","0.005","90","","1244.12","0.18","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,4-Dimethyl-2-phenyl-6,7-dihydro-1<i>H</i>-pyrazolo[4,3-<i>b</i>]pyridine- 3,5(2<i>H</i>,4<i>H</i>)-dione","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","BT5636","Weisser, Marc; Schollmeyer, Dieter; Laufer, Stefan","1,4-Dimethyl-2-phenyl-6,7-dihydro-1<i>H</i>-pyrazolo[4,3-<i>b</i>]pyridine-3,5(2<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","10","o2586","","10.1107/S1600536811036233","","","0.71073","MoKα","","0.0294","0.0273","","","0.0696","0.0707","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231824","17.7495","0.0013","9.4273","0.0006","9.4684","0.0007","90","","103.052","0.003","90","","1543.42","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylidene]cyclohexane-1- carbohydrazide","","- C14 H10 I2 N2 O2 -","- C14 H10 I2 N2 O2 -","- C56 H40 I8 N8 O8 -","4","1","BT5637","Thirugnanasundar, A.; Suresh, J.; Meenakshi, C.; Chakkaravarthi, G.; Rajagopal, G.","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylidene]cyclohexane-1-carbohydrazide","Acta Crystallographica Section E","2011","67","10","o2620","","10.1107/S1600536811036488","","","0.71073","MoKα","","0.0697","0.0584","","","0.1608","0.1718","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231825","7.244","0.0003","11.0798","0.0005","14.8247","0.0005","68.818","0.004","87.773","0.003","81.241","0.004","1096.36","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-(4-methylphenyl)-5-phenyl-4-phenylsulfonyl-1<i>H</i>-pyrazole-3-\ carboxylate","","- C25 H22 N2 O4 S -","- C25 H22 N2 O4 S -","- C50 H44 N4 O8 S2 -","2","1","BT5639","Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","Ethyl 1-(4-methylphenyl)-5-phenyl-4-phenylsulfonyl-1<i>H</i>-pyrazole-3-carboxylate","Acta Crystallographica Section E","2011","67","10","o2623","o2624","10.1107/S1600536811036580","","","1.54184","CuKα","","0.0355","0.0339","","","0.0896","0.091","","","","","","0.845","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231826","8.0114","0.0002","8.6138","0.0002","13.4827","0.0004","96.466","0.001","97.185","0.001","106.546","0.002","874.08","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-Methyl 2-[(4-bromo-2-formylphenoxy)methyl]-3-<i>o</i>-tolylacrylate","","- C19 H17 Br O4 -","- C19 H17 Br O4 -","- C38 H34 Br2 O8 -","2","1","BT5640","Vijayakumar, S.; Madhanraj, R.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","(<i>Z</i>)-Methyl 2-[(4-bromo-2-formylphenoxy)methyl]-3-<i>o</i>-tolylacrylate","Acta Crystallographica Section E","2011","67","10","o2690","","10.1107/S1600536811037731","","","0.71073","MoKα","","0.0985","0.0428","","","0.1069","0.1251","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231827","8.2578","0.0007","12.665","0.001","14.299","0.002","90","","92.187","0.007","90","","1494.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chloro-<i>N</i>-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C60 H64 Cl4 N4 O8 S4 -","4","1","BT5641","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","10","o2648","","10.1107/S1600536811036956","","","0.71073","MoKα","","0.0567","0.0396","","","0.1065","0.1142","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231828","24.307","0.0008","14.888","0.0006","12.4365","0.0005","90","","94.929","0.003","90","","4483.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-<i>N</i>-(2,5-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C168 H156 Cl24 N12 O24 S12 -","12","3","BT5642","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","2,4-Dichloro-<i>N</i>-(2,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","10","o2649","","10.1107/S1600536811036968","","","0.71073","MoKα","","0.0586","0.0379","","","0.0895","0.0985","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231829","14.4271","0.001","7.3026","0.0005","21.1337","0.0015","90","","94.472","0.001","90","","2219.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol- κ^2^<i>N</i>^7^,<i>N</i>^8^]diiodidomercury(II)","","- C23 H14 Hg I2 N4 O -","- C23 H14 Hg I2 N4 O -","- C92 H56 Hg4 I8 N16 O4 -","4","1","BT5643","Li, Tian-Le","[1-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol-κ^2^<i>N</i>^7^,<i>N</i>^8^]diiodidomercury(II)","Acta Crystallographica Section E","2011","67","10","m1396","","10.1107/S1600536811037160","","","0.71073","MoKα","","0.0491","0.0286","","","0.0517","0.0574","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231830","7.8381","0.0006","14.778","0.001","13.66","0.001","90","","101.84","0.009","90","","1548.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-<i>N</i>-(3,4-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","BT5644","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","2,4-Dichloro-<i>N</i>-(3,4-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","10","o2712","","10.1107/S1600536811038256","","","0.71073","MoKα","","0.0525","0.0381","","","0.0974","0.1053","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231831","14.1489","0.0019","8.1786","0.0011","8.6931","0.0012","90","","107.129","0.002","90","","961.3","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","4-(aminosulfonyl)anilinium nitrate","4-Sulfamoylanilinium nitrate","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","BT5645","Pandiarajan, S.; Balasubramanian, S.; Ravikumar, B.; Athimoolam, S.","4-Sulfamoylanilinium nitrate","Acta Crystallographica Section E","2011","67","10","o2788","","10.1107/S1600536811038827","","","0.71073","MoKα","","0.025","0.0249","","","0.0613","0.0613","","","","","","1.145","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231832","13.7683","0.0005","16.2557","0.0003","9.7945","0.0004","90","","127.546","0.006","90","","1738.07","0.17","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Amino-1-(4-bromophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C22 H14 Br N3 -","- C22 H14 Br N3 -","- C88 H56 Br4 N12 -","4","1","BT5646","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Ng, Seik Weng","3-Amino-1-(4-bromophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2011","67","10","o2745","","10.1107/S1600536811038517","","","1.54184","CuKα","","0.0206","0.0205","","","0.0555","0.0556","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231833","6.3699","0.0007","10.6084","0.001","10.8139","0.0011","70.059","0.01","79.455","0.013","78.869","0.012","668.55","0.13","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxy-2-methyl-1-phenyl-1<i>H</i>-indole-3-carbonitrile","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","BT5647","Yan, Qiao; Qi, Xiuxiang","6-Methoxy-2-methyl-1-phenyl-1<i>H</i>-indole-3-carbonitrile","Acta Crystallographica Section E","2011","67","10","o2798","","10.1107/S1600536811038724","","","0.71073","MoKα","","0.0788","0.0414","","","0.0836","0.0953","","","","","","0.887","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231834","10.0764","0.0007","36.069","0.002","5.8322","0.0004","90","","90","","90","","2119.7","0.2","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-{(1<i>E</i>)-1-[(3-{(<i>E</i>)-[1-(2-Hydroxy-4- methoxyphenyl)ethylidene]amino}-2,2-dimethylpropyl)imino]ethyl}-5-methoxyphenol","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","0.5","BT5648","Ghaemi, Akbar; Rayati, Saeed; Elahi, Ehsan; Ng, Seik Weng; Tiekink, Edward R. T.","2-{(1<i>E</i>)-1-[(3-{(<i>E</i>)-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]amino}-2,2-dimethylpropyl)imino]ethyl}-5-methoxyphenol","Acta Crystallographica Section E","2011","67","10","o2760","","10.1107/S1600536811038815","","","0.71073","MoKα","","0.0667","0.0545","","","0.1474","0.1551","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231835","11.839","0.0006","6.7053","0.0003","12.0875","0.0006","90","","101.399","0.005","90","","940.63","0.08","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-Hydroxy-4,8-dimethyl-12-(piperidin-1-ylmethyl)-3,14-dioxatricyclo [9.3.0.0^2,4^]tetradec-7-en-13-one","","- C20 H31 N O4 -","- C20 H31 N O4 -","- C40 H62 N2 O8 -","2","1","BT5649","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Elhakmaoui, Ahmed; Berraho, Moha","9-Hydroxy-4,8-dimethyl-12-(piperidin-1-ylmethyl)-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2011","67","10","o2768","o2769","10.1107/S1600536811038803","","","0.71073","MoKα","","0.0293","0.0279","","","0.07","0.0706","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231836","9.694","0.0005","27.4495","0.0009","9.9025","0.0004","90","","106.73","0.005","90","","2523.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Chlorophenyl)-4-methylbenzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","2","BT5650","Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(2-Chlorophenyl)-4-methylbenzamide","Acta Crystallographica Section E","2011","67","10","o2767","","10.1107/S1600536811038840","","","0.71073","MoKα","","0.1256","0.0428","","","0.1079","0.1256","","","","","","0.849","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231837","8.233","0.0002","35.5366","0.001","10.1505","0.0003","90","","112.925","0.001","90","","2735.2","0.13","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate","1-(4,4'-Difluorobenzhydryl)piperazinium 2-(2-phenylethyl)benzoate","","- C32 H32 F2 N2 O2 -","- C32 H32 F2 N2 O2 -","- C128 H128 F8 N8 O8 -","4","2","BT5651","Betz, Richard; Gerber, Thomas; Hosten, Eric; Dayananda, Alaloor S.; Yathirajan, Hemmige S.","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-(2-phenylethyl)benzoate","Acta Crystallographica Section E","2011","67","10","o2783","o2784","10.1107/S160053681103902X","","","0.71073","MoKα","","0.0541","0.0504","","","0.1264","0.1293","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231838","5.5928","0.0003","17.5004","0.0007","20.1431","0.0007","90","","90","","90","","1971.53","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-{1-[5-(4-Chlorobenzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}- 4-methylbenzenesulfonamide","","- C18 H18 Cl N3 O3 S2 -","- C18 H18 Cl N3 O3 S2 -","- C72 H72 Cl4 N12 O12 S8 -","4","1","BT5653","Syed, Tayyaba; Hameed, Shahid; Jones, Peter G.","(<i>S</i>)-<i>N</i>-{1-[5-(4-Chlorobenzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","10","o2793","","10.1107/S1600536811039134","","","1.54184","CuKα","","0.0276","0.0262","","","0.0682","0.0691","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231839","7.4201","0.0002","27.8329","0.0007","10.179","0.0003","90","","118.44","0.003","90","","1848.5","0.1","144.9","","144.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Cyclohexyl-4-[(2-nitroanilino)methyl]thiophene-2-sulfonamide","","- C17 H21 N3 O4 S2 -","- C17 H21 N3 O4 S2 -","- C68 H84 N12 O16 S8 -","4","1","BV2190","He, Yu-xin; Tong, Rong-sheng; Wu, Jin-wei; Jing, Zou; Shi, Jian-you","<i>N</i>-Cyclohexyl-4-[(2-nitroanilino)methyl]thiophene-2-sulfonamide","Acta Crystallographica Section E","2011","67","10","o2779","","10.1107/S160053681103861X","","","0.7107","MoKα","","0.0715","0.0576","","","0.1213","0.129","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231840","9.4959","0.0019","11.974","0.002","12.183","0.002","98.87","0.03","102.73","0.03","98.89","0.03","1309.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","μ-Oxalato-bis[bis(2,2'-bipyridine)manganese(II)] bis(perchlorate) 2,2'-bipyridine solvate","","- C52 H40 Cl2 Mn2 N10 O12 -","- C52 H40 Cl2 Mn2 N10 O12 -","- C52 H40 Cl2 Mn2 N10 O12 -","1","0.5","BV2191","Li, Kang-kang; Zhang, Chun; Xu, Wei","μ-Oxalato-bis[bis(2,2'-bipyridine)manganese(II)] bis(perchlorate) 2,2'-bipyridine solvate","Acta Crystallographica Section E","2011","67","10","m1443","m1444","10.1107/S1600536811038475","","","0.71073","MoKα","","0.1815","0.0719","","","0.1595","0.2213","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231841","7.8799","0.0009","12.8197","0.0015","12.9563","0.0015","113.302","0.002","101.695","0.002","104.053","0.003","1098.6","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Aquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iodidomanganese(II) iodide monohydrate","","- C16 H16 I2 Mn N8 O2 -","- C16 H16 I2 Mn N8 O2 -","- C32 H32 I4 Mn2 N16 O4 -","2","1","BV2192","Ha, Kwang","<i>cis</i>-Aquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iodidomanganese(II) iodide monohydrate","Acta Crystallographica Section E","2011","67","10","m1453","","10.1107/S160053681103875X","","","0.71073","MoKα","","0.1176","0.0515","","","0.0874","0.1255","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231842","7.7191","0.0002","8.51","0.0002","9.963","0.0002","79.971","0.001","67.663","0.001","64.605","0.001","546.81","0.02","133","2","133","2","","","","","","","","4","P 1","P 1","1","","(7<i>R</i>,8<i>S</i>,9<i>S</i>,12<i>S</i>)-1-Benzyloxy-13,14- didehydro-12-hydroxy-2,13-dimethoxy-<i>N</i>-methylmorphinane","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C26 H31 N O4 -","1","1","BX2370","Zheng, Xing-Liang; Jiang, Ning-Fei; Luo, Dan; Gao, Hong-Sheng; Ding, Ai-Shun","(7<i>R</i>,8<i>S</i>,9<i>S</i>,12<i>S</i>)-1-Benzyloxy-13,14-didehydro-12-hydroxy-2,13-dimethoxy-<i>N</i>-methylmorphinane","Acta Crystallographica Section E","2011","67","10","o2662","o2663","10.1107/S1600536811037226","","","1.54178","CuKα","","0.0285","0.0284","","","0.0752","0.0752","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231843","8.8325","0.0002","15.3276","0.0003","12.4792","0.0002","90","","100.072","0.002","90","","1663.41","0.06","160","","160","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Heptyl-1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecan-1-ium iodide","","- C14 H29 I N4 -","- C14 H29 I N4 -","- C56 H116 I4 N16 -","4","1","BX2371","Rivera, Augusto; Sadat-Bernal, John; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","1-Heptyl-1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecan-1-ium iodide","Acta Crystallographica Section E","2011","67","10","o2629","","10.1107/S1600536811036403","","","0.7107","MoKα","","0.0375","0.0273","","","0.061","0.0649","","","","","","1.61","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231844","7.8614","0.0004","9.41","0.0006","11.8477","0.0007","85.783","0.002","78.159","0.002","89.45","0.002","855.46","0.09","296","1","296","1","","","","","","","","6","P 1","P 1","1","","<i>N</i>-[1-(3-Chlorophenyl)-1-oxopropan-2-yl]-<i>tert</i>-butanaminium bromide propanol hemisolvate","","- C14.5 H23 Br Cl N O1.5 -","- C14.5 H23 Br Cl N O1.5 -","- C29 H46 Br2 Cl2 N2 O3 -","2","2","BX2372","Liu, Min; Hu, Xiu-Rong; Gu, Jian-Ming; Tang, Gu-Ping","Bupropion hydrobromide propanol hemisolvate","Acta Crystallographica Section E","2011","67","10","o2772","","10.1107/S1600536811037093","","","0.71073","MoKα","","0.0942","0.0427","","","0.0882","0.138","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231845","10.6901","0.0019","15.669","0.003","9.6094","0.0017","90","","90","","90","","1609.6","0.5","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Poly[tris(μ~3~-2-aminoethanesulfonato)cobalt(II)potassium]","","- C6 H18 Co K N3 O9 S3 -","- C6 H18 Co K N3 O9 S3 -","- C24 H72 Co4 K4 N12 O36 S12 -","4","1","BX2374","Li, Xiao-lin; Yu, Jing; Ou, Yang-Miao","Poly[tris(μ~3~-2-aminoethanesulfonato)cobalt(II)potassium]","Acta Crystallographica Section E","2011","67","10","m1466","m1467","10.1107/S1600536811039390","","","0.71073","MoKα","","0.027","0.0241","","","0.056","0.0577","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231846","8.103","0.0006","13.5209","0.0012","17.7536","0.0017","89.388","0.002","83.744","0.001","88.21","0.002","1932.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Hexane-1,6-diaminium bis[3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate] methanol disolvate","","- C26 H32 Br8 N2 O10 -","- C26 H32 Br8 N2 O10 -","- C52 H64 Br16 N4 O20 -","2","1","CI5198","Li, Jian","Hexane-1,6-diaminium bis[3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate] methanol disolvate","Acta Crystallographica Section E","2011","67","10","o2566","","10.1107/S1600536811035537","","","0.71073","MoKα","","0.1599","0.067","","","0.1406","0.1581","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231847","11.6305","0.0005","8.4039","0.0004","14.3128","0.0008","90","","93.126","0.001","90","","1396.87","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1-phenylsulfonyl-1<i>H</i>-indole-3-carbaldehyde","","- C16 H13 N O3 S -","- C16 H13 N O3 S -","- C64 H52 N4 O12 S4 -","4","1","CI5199","Ramathilagam, C.; Saravanan, V.; Mohanakrishnan, A. K.; Umarani, P. R.; Manivannan, V.","2-Methyl-1-phenylsulfonyl-1<i>H</i>-indole-3-carbaldehyde","Acta Crystallographica Section E","2011","67","10","o2614","","10.1107/S1600536811035665","","","0.71073","MoKα","","0.0572","0.0407","","","0.1056","0.1162","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231848","11.4785","0.0002","5.8396","0.0001","30.9591","0.0005","90","","106.412","0.001","90","","1990.63","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-phenethylpiperidin-4-one","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","CI5200","Ali, Mohamed Ashraf; Choon, Tan Soo; Almansour, Abdulrahman I.; Shahani, Tara; Fun, Hoong-Kun","(3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-phenethylpiperidin-4-one","Acta Crystallographica Section E","2011","67","10","o2605","","10.1107/S1600536811035744","","","0.71073","MoKα","","0.0958","0.0704","","","0.1609","0.1726","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231849","10.7988","0.0008","12.0509","0.0008","15.0238","0.001","90","","104.536","0.002","90","","1892.5","0.2","297","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-2-[(2<i>E</i>)-1-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-(2-methoxy phenyl)prop-2-en-1-yl]cyclohex-2-en-1-one","","- C22 H24 O5 -","- C22 H24 O5 -","- C88 H96 O20 -","4","1","CV5143","Cha, Joo Hwan; Son, Myung Hee; Min, Sun-Joon; Cho, Yong Seo; Lee, Jae Kyun","3-Hydroxy-2-[(2<i>E</i>)-1-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-yl]cyclohex-2-en-1-one","Acta Crystallographica Section E","2011","67","10","o2739","","10.1107/S1600536811038207","","","0.71075","MoKα","","","0.0384","","","","0.1187","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231850","15.2981","0.0011","5.7338","0.0003","24.4051","0.0012","90","","112.031","0.007","90","","1984.4","0.2","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","acetylferrocene‒2-chloro-1-ferrocenylethanone (1/1)","","- C24 H23 Cl Fe2 O2 -","- C24 H23 Cl Fe2 O2 -","- C96 H92 Cl4 Fe8 O8 -","4","1","CV5144","Erben, Milan; Vinklárek, Jaromír; Růžička, Aleš","Acetylferrocene‒2-chloro-1-ferrocenylethanone (1/1)","Acta Crystallographica Section E","2011","67","10","m1447","m1448","10.1107/S1600536811038244","","","0.71073","MoKα","","0.0962","0.0589","","","0.1297","0.1514","","","","","","0.973","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231851","10.9637","0.0012","8.0627","0.0008","11.0352","0.0013","90","","94.746","0.001","90","","972.13","0.18","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Phenyl-7<i>H</i>-dinaphtho[2,1-<i>b</i>:1',2'-<i>d</i>]phosphole 7-oxide","","- C26 H17 O P -","- C26 H17 O P -","- C52 H34 O2 P2 -","2","1","CV5145","Yao, Lan; Zhao, Chang-Qiu","7-Phenyl-7<i>H</i>-dinaphtho[2,1-<i>b</i>:1',2'-<i>d</i>]phosphole 7-oxide","Acta Crystallographica Section E","2011","67","10","o2799","","10.1107/S1600536811038177","","","0.71073","MoKα","","0.0622","0.0424","","","0.0608","0.0646","","","","","","1.028","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2231852","8.0061","0.0019","17.768","0.004","8.864","0.002","90","","98.353","0.003","90","","1247.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{2-[(thiophen-2-ylmethyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}palladium(II)","","- C11 H10 Cl2 N2 Pd S -","- C11 H10 Cl2 N2 Pd S -","- C44 H40 Cl8 N8 Pd4 S4 -","4","1","CV5147","Onani, Martin O.; Motswainyana, William M.","Dichlorido{2-[(thiophen-2-ylmethyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}palladium(II)","Acta Crystallographica Section E","2011","67","10","m1392","","10.1107/S1600536811037214","","","0.71073","MoKα","","0.051","0.0423","","","0.1335","0.1436","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231853","7.0867","0.0014","7.3614","0.0015","10.418","0.002","95.51","0.03","102.51","0.03","97.27","0.03","522","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridyl- κ^2^<i>N</i>:<i>N</i>'] 3,3'-(<i>p</i>-phenylene)diacrylate]","","- C22 H24 N2 Ni O8 -","- C22 H24 N2 Ni O8 -","- C22 H24 N2 Ni O8 -","1","0.5","CV5150","Li, Ni-Ya","<i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'] 3,3'-(<i>p</i>-phenylene)diacrylate]","Acta Crystallographica Section E","2011","67","10","m1397","","10.1107/S1600536811036993","","","0.71073","MoKα","","0.0276","0.0262","","","0.0659","0.0668","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231854","7.4833","0.0008","8.7888","0.0009","10.9061","0.001","66.919","0.005","82.848","0.006","82.689","0.006","652.31","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-cyclopentylsulfonyl-2-methyl-1-benzofuran","","- C14 H15 Cl O3 S -","- C14 H15 Cl O3 S -","- C28 H30 Cl2 O6 S2 -","2","1","CV5153","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-Chloro-3-cyclopentylsulfonyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","10","o2805","","10.1107/S160053681103933X","","","0.71073","MoKα","","0.0544","0.044","","","0.1329","0.1426","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231855","5.5075","0.0002","13.6114","0.0005","12.6822","0.0004","90","","90","","90","","950.72","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(2-Nitrooxyethyl)picolinamide","<i>N</i>-(2-Nitrooxyethyl)pyridine-2-carboxamide","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C32 H36 N12 O16 -","4","1","CV5154","Paixão, Drielly A.; Guilardi, Silvana; Fátima, Ângelo de; Araujo, Débora P.; Oliveira, Francinely C.","<i>N</i>-(2-Nitrooxyethyl)picolinamide","Acta Crystallographica Section E","2011","67","10","o2816","","10.1107/S1600536811039572","","","0.71073","MoKα","","0.0496","0.038","","","","0.1079","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231856","9.7008","0.001","19.813","0.002","11.6253","0.0012","90","","112.009","0.001","90","","2071.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquaterbium(III)]-tetrakis(μ~2~-pyridine-4- carboxylato-κ^2^<i>O</i>:<i>O</i>')-[diaquaterbium(III)]-bis(μ~2~- pyridine-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')]","","- C36 H32 N6 O16 Tb2 -","- C36 H32 N6 O16 Tb2 -","- C72 H64 N12 O32 Tb4 -","2","0.5","DN2711","Zhang, Xiangfei; Zhai, Bin","<i>catena</i>-Poly[[diaquaterbium(III)]-tetrakis(μ~2~-pyridine-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')-[diaquaterbium(III)]-bis(μ~2~-pyridine-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')]","Acta Crystallographica Section E","2011","67","10","m1439","m1440","10.1107/S1600536811038487","","","0.71073","MoKα","","0.0484","0.0346","","","0.0988","0.105","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231857","4.919","0.003","9.995","0.007","10.382","0.007","90","","99.05","0.03","90","","504.1","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-5-Oxo-<i>N</i>-phenylpyrrolidine-2-carboxamide","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","DN2719","Qin, Wei-Yan; Liu, Bo; Ma, Jing; Wang, Hui-Juan","(<i>S</i>)-5-Oxo-<i>N</i>-phenylpyrrolidine-2-carboxamide","Acta Crystallographica Section E","2011","67","10","o2763","","10.1107/S160053681103786X","","","0.71073","MoKα","","0.0364","0.032","","","0.0787","0.082","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231858","11.6955","0.0006","7.6889","0.0004","13.7588","0.001","90","","111.978","0.007","90","","1147.35","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C11 H13 N3 O S -","- C11 H13 N3 O S -","- C44 H52 N12 O4 S4 -","4","1","DS2131","Ganguly, Biplab; Foi, Ana; Doctorovich, Fabio; K. Dey, Benu; G. Roy, Tapashi","5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2011","67","10","o2777","","10.1107/S1600536811036658","","","0.71073","MoKα","","0.0491","0.0466","","","","0.1299","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231859","9.2217","0.0011","11.5041","0.0012","12.9149","0.0017","90","","90","","90","","1370.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>,6<i>R</i>)-6-Bromo-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2<i>H</i>- cyclopenta[<i>b</i>]pyran-7-one","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C60 H60 Br4 O8 -","4","1","DS2143","Ieawsuwan, Winai; Bolte, Michael","(5<i>S</i>,6<i>R</i>)-6-Bromo-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-cyclopenta[<i>b</i>]pyran-7-one","Acta Crystallographica Section E","2011","67","10","o2748","","10.1107/S1600536811038232","","","0.71073","MoKα","","0.1051","0.082","","","0.1986","0.2168","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231860","26.4","0.005","8.893","0.005","17.492","0.005","90","","90","","90","","4107","3","197","2","197","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Acridine 0.75-hydrate","","- C13 H10.5 N O0.75 -","- C13 H10.5 N O0.75 -","- C208 H168 N16 O12 -","16","2","EZ2255","Schur, Einat; Bernstein, Joel; Lemmerer, Andreas; Vainer, Radion","Acridine 0.75-hydrate","Acta Crystallographica Section E","2011","67","10","o2761","","10.1107/S1600536811038220","","","0.71073","MoKα","","0.1336","0.0575","","","0.1437","0.1967","","","","","","0.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231861","7.3036","0.0005","16.4409","0.001","8.2455","0.0005","90","","102.132","0.0009","90","","967.99","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Imino-3-(2-nitrophenyl)-1,3-thiazolidin-4-one","","- C9 H7 N3 O3 S -","- C9 H7 N3 O3 S -","- C36 H28 N12 O12 S4 -","4","1","EZ2256","Zia-ur-Rehman, Muhammad; Elsegood, Mark R. J.; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","2-Imino-3-(2-nitrophenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","10","o2564","","10.1107/S1600536811033812","","","0.71073","MoKα","","0.0362","0.0329","","","0.0903","0.0929","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231862","22.505","0.007","9.142","0.003","29.606","0.009","90","","102.877","0.005","90","","5938","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Diphenylphosphanyl-<i>N</i>-{[diphenyl(2-pyridylimino)-λ^5^- phosphanyl]methyl}pyridin-2-amine","","- C35 H30 N4 P2 -","- C35 H30 N4 P2 -","- C280 H240 N32 P16 -","8","1","EZ2257","Peng, Xiao; Yuan, Yan; Chen, Xue","<i>N</i>-Diphenylphosphanyl-<i>N</i>-{[diphenyl(2-pyridylimino)-λ^5^-phosphanyl]methyl}pyridin-2-amine","Acta Crystallographica Section E","2011","67","10","o2683","","10.1107/S1600536811037007","","","0.71073","MoKα","","0.0868","0.0596","","","0.1173","0.1261","","","","","","1.149","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231863","27.3765","0.0004","9.2784","0.0002","10.363","0.0002","90","","93.087","0.001","90","","2628.49","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(1<i>H</i>-1,3-Benzodiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone","","- C15 H11 Cl N2 O S -","- C15 H11 Cl N2 O S -","- C120 H88 Cl8 N16 O8 S8 -","8","1","EZ2258","Abdel-Aziz, Hatem A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(1<i>H</i>-1,3-Benzodiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone","Acta Crystallographica Section E","2011","67","10","o2639","","10.1107/S160053681103666X","","","1.5418","CuKα","","0.0307","0.0294","","","0.0783","0.0791","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231864","13.493","0.003","5.6288","0.0011","26.309","0.005","90","","100.87","0.03","90","","1962.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[Bis(3-phenyl-1<i>H</i>-pyrazol-1-yl)methyl]benzene-1,2-diol","","- C25 H20 N4 O2 -","- C25 H20 N4 O2 -","- C100 H80 N16 O8 -","4","1","EZ2261","Blasberg, Florian; Lerner, Hans-Wolfram; Bolte, Michael","4-[Bis(3-phenyl-1<i>H</i>-pyrazol-1-yl)methyl]benzene-1,2-diol","Acta Crystallographica Section E","2011","67","10","o2741","","10.1107/S1600536811037949","","","0.71073","MoKα","","0.1848","0.0687","","","0.0932","0.1214","","","","","","0.824","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231865","22.144","0.003","9.4915","0.0014","21.844","0.003","90","","99.071","0.003","90","","4533.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-propanamidobenzoate","","- C22 H24 Cl N5 O3 -","- C22 H24 Cl N5 O3 -","- C176 H192 Cl8 N40 O24 -","8","1","FF2025","Natarajan, Sampath; Mathews, Rita","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-propanamidobenzoate","Acta Crystallographica Section E","2011","67","10","o2567","","10.1107/S1600536811035501","","","0.71073","MoKα","","0.1651","0.0881","","","0.1907","0.228","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231866","19.113","0.0005","18.391","0.0004","15.814","0.0004","90","","97.41","0.001","90","","5512.3","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dibromidooxido[(<i>Z</i>)-<i>N</i>'-(propan-2-ylidene)benzohydrazidato](triphenylphosphane)rhenium(V)","","- C28 H26 Br2 N2 O2 P Re -","- C28 H26 Br2 N2 O2 P Re -","- C224 H208 Br16 N16 O16 P8 Re8 -","8","2","FF2026","Yumata, Nonzaliseko; Gerber, Thomas; Betz, Richard","Dibromidooxido[(<i>Z</i>)-<i>N</i>'-(propan-2-ylidene)benzohydrazidato](triphenylphosphane)rhenium(V)","Acta Crystallographica Section E","2011","67","10","m1337","","10.1107/S1600536811035811","","","0.71069","MoKα","","0.0437","0.0283","","","0.059","0.0655","","","","","","1.108","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231867","8.8797","0.0018","10.458","0.002","10.561","0.002","87.55","0.03","73.5","0.03","72.31","0.03","894.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[dichloridozinc(II)]-μ- 1,4-bis(pyridin-2-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>']","","- C18 H16 Cl2 N2 O2 Zn -","- C18 H16 Cl2 N2 O2 Zn -","- C36 H32 Cl4 N4 O4 Zn2 -","2","1","FJ2447","Liu, Ying; Zhang, Hong-Sen; Hu, Ming-Xing; Hou, Guang-Feng; Gao, Jin-Sheng","<i>catena</i>-Poly[[dichloridozinc(II)]-μ-1,4-bis(pyridin-2-ylmethoxy)benzene-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","10","m1373","","10.1107/S1600536811035963","","","0.71073","MoKα","","0.0452","0.0317","","","0.0687","0.0734","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231868","12.1359","0.0003","9.8351","0.0003","11.185","0.0003","90","","90","","90","","1335.02","0.06","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Aminopyridinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","FJ2453","Smith, Graham; Wermuth, Urs D.","4-Aminopyridinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","Acta Crystallographica Section E","2011","67","10","o2794","","10.1107/S1600536811039547","","","0.71073","MoKα","","0.0369","0.0278","","","0.058","0.0595","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231869","7.0432","0.0004","7.3702","0.0004","7.7204","0.0004","77.849","0.002","74.831","0.002","85.934","0.002","378.08","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Thorium divanadate dihydrate","Thorium divanadate dihydrate","","- H4 O9 Th V2 -","- H4 O9 Th V2 -","- H8 O18 Th2 V4 -","2","1","FJ2454","Yagoubi, Said; El Ammari, Lahcen; Assani, Abderrazzak; Saadi, Mohamed","Thorium divanadate dihydrate, Th(V~2~O~7~)(H~2~O)~2~","Acta Crystallographica Section E","2011","67","10","i60","","10.1107/S1600536811039584","","","0.71073","MoKα","","0.0148","0.0142","","","0.0324","0.0326","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231870","6.3095","0.0014","17.405","0.004","13.606","0.003","90","","95.59","0.004","90","","1487.1","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[2-(2-Hydroxy-3-methoxybenzylidene)hydrazin-1-ylidene]methyl}-6-methoxyphenol","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","FL2353","Lu, Rong; Wang, Wenxia; Lü, Xingqiang; Zhao, Shunsheng","2-{[2-(2-Hydroxy-3-methoxybenzylidene)hydrazin-1-ylidene]methyl}-6-methoxyphenol","Acta Crystallographica Section E","2011","67","10","o2702","","10.1107/S1600536811036816","","","0.71073","MoKα","","0.1454","0.0606","","","0.1457","0.186","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231871","8.5105","0.0002","11.5644","0.0003","9.9829","0.0003","90","","93.58","0.001","90","","980.59","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Aminoethyl)-3-phenylthiourea","","- C9 H13 N3 S -","- C9 H13 N3 S -","- C36 H52 N12 S4 -","4","1","FY2013","Pansuriya, Pramod; Friedrich, Holger B.; Maguire, Glenn E. M.","1-(2-Aminoethyl)-3-phenylthiourea","Acta Crystallographica Section E","2011","67","10","o2621","","10.1107/S1600536811036476","","","0.71073","MoKα","","0.0413","0.0326","","","0.0843","0.0883","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231872","9.2","0.002","21.68","0.005","9.608","0.002","90","","97.84","0.004","90","","1898.5","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-4-[(2-Aminoanilino)(phenyl)methylidene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C23 H20 N4 O -","- C23 H20 N4 O -","- C92 H80 N16 O4 -","4","1","FY2020","Lu, Rong; Xia, Hua; Lü, Xingqiang; Zhao, Shunsheng","(<i>Z</i>)-4-[(2-Aminoanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","10","o2701","","10.1107/S1600536811037470","","","0.71073","MoKα","","0.0754","0.0428","","","0.1118","0.119","","","","","","0.938","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231873","20.0254","0.0013","33.197","0.002","10.0233","0.0007","90","","90","","90","","6663.3","0.8","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-Cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C20 H19 F O2 S -","- C20 H19 F O2 S -","- C320 H304 F16 O32 S16 -","16","1","GK2398","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-Cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","10","o2591","","10.1107/S1600536811036087","","","0.71073","MoKα","","0.044","0.0414","","","0.104","0.1061","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231874","17.2794","0.0006","7.1853","0.0003","32.9711","0.0012","90","","101.652","0.001","90","","4009.3","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[(<i>E</i>)-(4-Diethylamino-2-hydroxybenzylidene)amino]-1,5-dimethyl- 2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C176 H208 N32 O16 -","8","1","GK2400","Manvizhi, K.; Chakkaravarthi, G.; Anbalagan, G.; Rajagopal, G.","4-[(<i>E</i>)-(4-Diethylamino-2-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","10","o2692","","10.1107/S1600536811037615","","","0.71073","MoKα","","0.0691","0.0485","","","0.1138","0.1264","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231875","11.13","0.0006","6.3501","0.0003","13.1373","0.0007","90","","102.066","0.006","90","","907.99","0.08","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2'-(1,3-Diazinane-1,3-diyl)diacetonitrile","","- C8 H12 N4 -","- C8 H12 N4 -","- C32 H48 N16 -","4","1","GK2401","Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","2,2'-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph","Acta Crystallographica Section E","2011","67","10","o2734","","10.1107/S1600536811038013","","","1.5418","CuKα","","0.0649","0.0387","","","0.0841","0.0926","","","","","","1.3","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231876","8.254","0.0017","12.29","0.003","21.119","0.004","90","","99.23","0.03","90","","2114.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridobis(dimethylformamide- κ<i>O</i>)hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)tetracadmium","","- C24 H38 Cd4 Cl8 N14 O2 -","- C24 H38 Cd4 Cl8 N14 O2 -","- C48 H76 Cd8 Cl16 N28 O4 -","2","0.5","GK2402","Zhu, Run-Qiang","Di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridobis(dimethylformamide-κ<i>O</i>)hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)tetracadmium","Acta Crystallographica Section E","2011","67","10","m1416","","10.1107/S1600536811037834","","","0.71073","MoKα","","0.0354","0.0281","","","0.0667","0.0694","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231877","10.9878","0.0008","11.5275","0.0008","17.1405","0.0012","78.72","0.002","81.796","0.002","78.143","0.002","2071.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","1327 RASC057b PdCl2FcPP+2dmso","<i>rac</i>-Dichlorido({(diphenylphosphanyl)[2-(diphenylphosphanyl) phenyl]methyl}ferrocene-κ^2^<i>P</i>,<i>P</i>')palladium(II) dimethylsulfoxide disolvate","","- C45 H46 Cl2 Fe O2 P2 Pd S2 -","- C44.9932 H46 Cl2 Fe O1.9966 P2 Pd S1.9966 -","- C89.9864 H92 Cl4 Fe2 O3.9932 P4 Pd2 S3.9932 -","2","1","GK2404","Schuecker, Raffael; Weissensteiner, Walter; Mereiter, Kurt","<i>rac</i>-Dichlorido(1-{(diphenylphosphanyl)[2-(diphenylphosphanyl)phenyl]methyl}ferrocene-κ^2^<i>P</i>,<i>P</i>')palladium(II) dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2011","67","10","m1377","m1378","10.1107/S160053681103618X","","","0.71073","MoKα","","0.0223","0.021","","","0.0542","0.0548","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231878","3.8142","0.0001","15.9367","0.0003","21.4121","0.0005","90","","90","","90","","1301.55","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(3-Chloro-2-hydroxyphenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","GK2410","Lokhande, Pradeep; Hasanzadeh, Kamal; Khaledi, Hamid; Mohd Ali, Hapipah","3-(3-Chloro-2-hydroxyphenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","10","o2736","","10.1107/S1600536811038025","","","0.71073","MoKα","","0.0501","0.038","","","0.0711","0.075","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231879","6.838","0.002","18.809","0.005","10.705","0.003","90","","126.901","0.014","90","","1101","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[triaquanickel(II)]-μ-5-carboxybenzene-1,3-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C9 H10 Ni O9 -","- C9 H10 Ni O9 -","- C36 H40 Ni4 O36 -","4","1","GO2022","Yao, Xing-Jun; Yuan, Qian","<i>catena</i>-Poly[[triaquanickel(II)]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2011","67","10","m1331","m1332","10.1107/S1600536811035227","","","0.71073","MoKα","","0.0241","0.0231","","","0.1005","0.1021","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231880","5.7574","0.0012","11.875","0.002","11.691","0.003","90","","109.15","0.03","90","","755.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Poly[[μ~7~-L-cysteato(2-)]disodium]","poly[[μ~7~-(2<i>R</i>)-2-amino-3-sulfonatopropanoato]disodium]","","- C3 H5 N Na2 O5 S -","- C3 H5 N Na2 O5 S -","- C12 H20 N4 Na8 O20 S4 -","4","1","GO2024","Liu, Fu-Hong","Poly[[μ~7~-<small>L</small>-cysteato(2{-})]disodium]","Acta Crystallographica Section E","2011","67","10","m1346","m1347","10.1107/S1600536811035525","","","0.71073","MoKα","","0.0733","0.0601","","","0.1515","0.1594","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231881","14.0843","0.0002","13.7224","0.0002","16.9615","0.0003","90","","101.411","0.001","90","","3213.36","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(anthracen-9-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one","","- C23 H16 O2 -","- C23 H16 O2 -","- C184 H128 O16 -","8","2","HB5945","Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Chanawanno, Kullapa; Joothamongkhon, Jaruwan; Fun, Hoong-Kun","Redetermination of (<i>E</i>)-3-(anthracen-9-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","10","o2554","o2555","10.1107/S1600536811034994","","","0.71073","MoKα","","0.0556","0.0462","","","0.1222","0.1321","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231882","9.2788","0.0004","11.4322","0.0005","12.4204","0.0005","74.566","0.002","76.69","0.002","72.067","0.002","1192.41","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(triphenylphosphane)copper(I)]-di-μ-iodido- [(triphenylphosphane)copper(I)]-μ-{1,2-bis[1-(pyridin- 4-yl)ethylidene]hydrazine}]","","- C50 H44 Cu2 I2 N4 P2 -","- C50 H44 Cu2 I2 N4 P2 -","- C50 H44 Cu2 I2 N4 P2 -","1","0.5","HB6379","Fun, Hoong-Kun; Loh, Wan-Sin; Patra, Goutam K.; Mukherjee, Anindita; Pal, Pankaj K.","<i>catena</i>-Poly[[(triphenylphosphane)copper(I)]-di-μ-iodido-[(triphenylphosphane)copper(I)]-μ-{1,2-bis[1-(pyridin-4-yl)ethylidene]hydrazine}]","Acta Crystallographica Section E","2011","67","10","m1389","","10.1107/S1600536811036555","","","0.71073","MoKα","","0.0378","0.0324","","","0.0824","0.0863","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231883","13.8532","0.0012","13.8532","0.0012","14.507","0.003","90","","90","","90","","2784.1","0.7","294","2","293","2","","","","","","","","6","I -4","I -4","82","","Hexa-μ-chlorido-μ~4~-oxido-tetrakis({1-[(pyridin-2-yl)methyl]- 1<i>H</i>-benzimidazole-κ<i>N</i>^3^}copper(II))","","- C52 H44 Cl6 Cu4 N12 O -","- C52 H44 Cl6 Cu4 N12 O -","- C104 H88 Cl12 Cu8 N24 O2 -","2","0.25","HB6384","Li, Hui; Jiang, Hongshi; Sun, Hong","Hexa-μ-chlorido-μ~4~-oxido-tetrakis({1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}copper(II))","Acta Crystallographica Section E","2011","67","10","m1372","","10.1107/S1600536811035252","","","0.71073","MoKα","","0.0367","0.028","","","0.058","0.0623","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231884","10.7303","0.0001","18.7012","0.0003","6.8952","0.0001","90","","98.61","","90","","1368.06","0.03","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Azido-1-(3,6-dichloro-9<i>H</i>-fluoren-1-yl)ethanone","","- C15 H9 Cl2 N3 O -","- C15 H9 Cl2 N3 O -","- C60 H36 Cl8 N12 O4 -","4","1","HB6387","Fun, Hoong-Kun; Chia, Tze Shyang; Kayarmar, Reshma; Dinesha; Nagaraja, G. K.","2-Azido-1-(3,6-dichloro-9<i>H</i>-fluoren-1-yl)ethanone","Acta Crystallographica Section E","2011","67","10","o2656","o2657","10.1107/S1600536811036762","","","0.71073","MoKα","","0.0374","0.0329","","","0.0817","0.085","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231885","9.992","0.002","9.978","0.002","31.197","0.006","90","","92.5","0.03","90","","3107.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide","","- C15 H16 Cl N5 O -","- C15 H16 Cl N5 O -","- C120 H128 Cl8 N40 O8 -","8","2","HB6389","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide","Acta Crystallographica Section E","2011","67","10","o2575","","10.1107/S160053681103515X","","","0.71073","MoKα","","0.1384","0.0584","","","0.1483","0.2231","","","","","","0.932","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231886","7.5811","0.0006","13.8149","0.0011","10.6657","0.0008","90","","109.261","0.002","90","","1054.52","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-dimethylpyridinium chloride dihydrate","","- C7 H15 Cl N2 O2 -","- C7 H15 Cl N2 O2 -","- C28 H60 Cl4 N8 O8 -","4","1","HB6390","Al-Dajani, Mohammad T. M.; Talaat, Jamal; Salhin, Abdusalam; Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-4,6-dimethylpyridinium chloride dihydrate","Acta Crystallographica Section E","2011","67","10","o2572","","10.1107/S1600536811035100","","","0.71073","MoKα","","0.0642","0.0382","","","0.1103","0.1259","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231887","8.3989","0.0005","12.5738","0.0007","15.3757","0.0009","66.967","0.002","76.565","0.002","77.833","0.002","1440.34","0.15","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","Dinitrobisphenol A","2,2'-dinitro-4,4'-(propane-2,2-diyl)diphenol","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C60 H56 N8 O24 -","4","2","HB6392","Babu, Sainath; Pathak, Chintan; Uppu, Satvika; Jones, Conrad; Fronczek, Frank R.; Uppu, Rao M.","3,3'-Dinitrobisphenol A","Acta Crystallographica Section E","2011","67","10","o2556","o2557","10.1107/S1600536811035458","","","1.54178","CuKα","","0.035","0.034","","","0.091","0.092","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231888","7.0639","0.0007","21.564","0.002","10.698","0.001","90","","107.884","0.002","90","","1550.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Quinoline-2-carbaldehyde","","- C10 H7 N O -","- C10 H7 N O -","- C80 H56 N8 O8 -","8","2","HB6393","Motswainyana, William M.; Onani, Martin O.","Quinoline-2-carbaldehyde","Acta Crystallographica Section E","2011","67","10","o2573","","10.1107/S1600536811035653","","","0.71073","MoKα","","0.091","0.0451","","","0.0974","0.1166","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231889","11.126","0.002","9.833","0.002","8.0076","0.0016","90","","99.34","0.03","90","","864.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl <i>N</i>-(4-chlorophenyl)carbamate","","- C8 H8 Cl N O2 -","- C8 H8 Cl N O2 -","- C32 H32 Cl4 N4 O8 -","4","1","HB6394","Li, Yu-Feng","Methyl <i>N</i>-(4-chlorophenyl)carbamate","Acta Crystallographica Section E","2011","67","10","o2750","","10.1107/S1600536811037123","","","0.71073","MoKα","","0.0907","0.0409","","","0.1114","0.1586","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231890","11.5247","0.0011","18.5693","0.0016","8.1489","0.0007","90","","109.177","0.001","90","","1647.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca- 2(7),3,5,10,12,14-hexaen-1-ium chloride","","- C15 H17 Cl N4 O4 S2 -","- C15 H17 Cl N4 O4 S2 -","- C60 H68 Cl4 N16 O16 S8 -","4","1","HB6395","Xu, Yichao; Jin, Shouwen; Zhu, Jianlong; Liu, YingJia; Shi, ChuanChuan","5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride","Acta Crystallographica Section E","2011","67","10","o2730","","10.1107/S1600536811038189","","","0.71073","MoKα","","0.1049","0.0679","","","0.1771","0.2193","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231891","9.812","0.005","10.974","0.006","16.025","0.009","90","","91.589","0.01","90","","1724.9","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2,2-bis(2,4-dinitrophenyl)ethanoate","","- C15 H10 N4 O10 -","- C15 H10 N4 O10 -","- C60 H40 N16 O40 -","4","1","HB6396","Kalaivani, D.; Malarvizhi, R.; Nethaji, M.; Rajeswari, S.","Methyl 2,2-bis(2,4-dinitrophenyl)ethanoate","Acta Crystallographica Section E","2011","67","10","o2720","","10.1107/S1600536811036440","","","0.71073","MoKα","","0.1327","0.0768","","","0.2373","0.2928","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231892","11.7316","0.0016","20.785","0.003","9.5259","0.0016","90","","99.675","0.003","90","","2289.8","0.6","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-methyl <i>N</i>'-(3-hydroxybenzylidene)hydrazinecarboxylate dihydrate","","- C9 H14 N2 O5 -","- C9 H14 N2 O5 -","- C72 H112 N16 O40 -","8","2","HB6397","Li, Wei-Wei; Yu, Tie-Ming; Lv, Lu-Ping; Hu, Xian-Chao","(<i>E</i>)-Methyl <i>N</i>'-(3-hydroxybenzylidene)hydrazinecarboxylate dihydrate","Acta Crystallographica Section E","2011","67","10","o2584","","10.1107/S1600536811035689","","","0.71073","MoKα","","0.0554","0.0398","","","0.1042","0.1172","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231893","4.8389","0.0011","6.63","0.0015","11.406","0.003","83.067","0.005","81.249","0.005","71.095","0.004","341.16","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4,4'-[<i>p</i>-Phenylenebis(oxy)]dibutanoic acid","","- C14 H18 O6 -","- C14 H18 O6 -","- C14 H18 O6 -","1","0.5","HB6398","Li, Zhi","4,4'-[<i>p</i>-Phenylenebis(oxy)]dibutanoic acid","Acta Crystallographica Section E","2011","67","10","o2654","","10.1107/S1600536811036828","","","0.71073","MoKα","","0.0558","0.0499","","","0.1475","0.1624","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231894","9.6298","0.0001","31.8788","0.0004","11.0963","0.0001","90","","93.502","0.001","90","","3400.05","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(<i>E</i>)-(5-<i>tert</i>-butyl-2-hydroxyphenyl)diazenyl]benzoato}\ dimethyltin(IV)","","- C36 H40 N4 O6 Sn -","- C36 H40 N4 O6 Sn -","- C144 H160 N16 O24 Sn4 -","4","1","HB6399","Basu Baul, Tushar S.; Paul, Anup; Tiekink, Edward R. T.","Bis{2-[(<i>E</i>)-(5-<i>tert</i>-butyl-2-hydroxyphenyl)diazenyl]benzoato}dimethyltin(IV)","Acta Crystallographica Section E","2011","67","10","m1383","m1384","10.1107/S1600536811036543","","","0.71073","MoKα","","0.05","0.033","","","0.065","0.071","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231895","10.7484","0.0005","9.4669","0.0004","15.7198","0.0005","90","","122.166","0.002","90","","1354.04","0.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3-hydroxy-4-methoxybenzylidene)benzohydrazide","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3-hydroxy-4-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","HB6400","Fun, Hoong-Kun; Horkaew, Jirapa; Chantrapromma, Suchada","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3-hydroxy-4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","10","o2644","o2645","10.1107/S1600536811036579","","","0.71073","MoKα","","0.0462","0.041","","","0.1184","0.1245","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231896","10.6439","0.0015","7.2006","0.001","11.7226","0.0017","90","","115.396","0.002","90","","811.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-(4-Fluorophenyl)-3-methylsulfanyl-2-phenyl-1-benzofuran","","- C21 H15 F O S -","- C21 H15 F O S -","- C42 H30 F2 O2 S2 -","2","1","HB6402","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-(4-Fluorophenyl)-3-methylsulfanyl-2-phenyl-1-benzofuran","Acta Crystallographica Section E","2011","67","10","o2742","","10.1107/S1600536811036713","","","0.71073","MoKα","","0.062","0.0383","","","0.0918","0.1055","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231897","17.7233","0.0004","3.863","0.0001","20.4224","0.0005","90","","110.137","0.003","90","","1312.75","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Bromophenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","1","HB6403","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(4-Bromophenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","10","o2650","","10.1107/S1600536811036841","","","1.54184","CuKα","","0.0261","0.0253","","","0.0687","0.0692","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231898","13.2737","0.0001","13.2737","","19.5597","0.0005","90","","90","","90","","3446.25","0.09","100","2","100","2","","","","","","","","6","I -4","I -4","82","","Bis(3-benzoyl-1,1-di-<i>sec</i>-butylthioureato- κ^2^<i>O</i>,<i>S</i>)palladium(II)","","- C32 H46 N4 O2 Pd S2 -","- C32 H46 N4 O2 Pd S2 -","- C128 H184 N16 O8 Pd4 S8 -","4","0.5","HB6404","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","Bis(3-benzoyl-1,1-di-<i>sec</i>-butylthioureato-κ^2^<i>O</i>,<i>S</i>)palladium(II)","Acta Crystallographica Section E","2011","67","10","m1394","","10.1107/S1600536811036853","","","0.71073","MoKα","","0.0249","0.023","","","0.0561","0.058","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231899","15.8496","0.0005","3.8184","0.0001","20.3794","0.0006","90","","123.575","0.002","90","","1027.59","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[2-(4-Chlorophenyl)hydrazinylidene]-3-methyl-1<i>H</i>- pyrazol-5(4<i>H</i>)-one","","- C10 H9 Cl N4 O -","- C10 H9 Cl N4 O -","- C40 H36 Cl4 N16 O4 -","4","1","HB6405","Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna","4-[2-(4-Chlorophenyl)hydrazinylidene]-3-methyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","10","o2670","","10.1107/S1600536811037020","","","0.71073","MoKα","","0.0927","0.0629","","","0.1244","0.1345","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231900","9.7549","0.0005","11.1719","0.0006","11.5629","0.0005","99.043","0.004","93.33","0.004","111.733","0.005","1146.69","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(6,8-Dibromo-2-methylquinolin-3-yl)ethanone","","- C12 H9 Br2 N O -","- C12 H9 Br2 N O -","- C48 H36 Br8 N4 O4 -","4","2","HB6406","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","1-(6,8-Dibromo-2-methylquinolin-3-yl)ethanone","Acta Crystallographica Section E","2011","67","10","o2664","","10.1107/S1600536811037044","","","1.54184","CuKα","","0.0512","0.0493","","","0.1375","0.139","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231901","18.639","0.019","5.035","0.005","21.59","0.02","90","","111.395","0.009","90","","1887","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dicyclohexyl-3-[(pyridin-2-yl)carbonyl]urea monohydrate","","- C19 H29 N3 O3 -","- C19 H29 N3 O3 -","- C76 H116 N12 O12 -","4","1","HB6408","Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","1,3-Dicyclohexyl-3-[(pyridin-2-yl)carbonyl]urea monohydrate from synchrotron radiation","Acta Crystallographica Section E","2011","67","10","o2676","o2677","10.1107/S1600536811037512","","","0.6905","synchrotron","","0.0571","0.048","","","0.119","0.1256","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231902","9.4719","0.0002","10.1223","0.0003","11.9227","0.0003","114.567","0.001","90.343","0.002","102.795","0.002","1007.61","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(<i>R</i>*,<i>S</i>*)-(±)-1-(2-{[2,8-Bis(trifluoromethyl)quinolin- 4-yl](hydroxy)methyl}piperidin-1-yl)ethanone methanol monosolvate","","- C20 H22 F6 N2 O3 -","- C20 H22 F6 N2 O3 -","- C40 H44 F12 N4 O6 -","2","1","HB6409","Gonçalves, Raoni S. B.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","(<i>R</i>*,<i>S</i>*)-(±)-1-(2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-yl)ethanone methanol monosolvate","Acta Crystallographica Section E","2011","67","10","o2714","o2715","10.1107/S1600536811038128","","","0.71073","MoKα","","0.047","0.0401","","","0.1024","0.1103","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231903","8.5529","0.0004","11.008","0.0005","11.8617","0.0005","86.739","0.004","70.928","0.004","70.1","0.004","990.6","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^)bis{(acetato- κ^2^<i>O</i>,<i>O</i>')[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^]lead(II)}","","- C40 H30 N18 O4 Pb2 -","- C40 H30 N18 O4 Pb2 -","- C40 H30 N18 O4 Pb2 -","1","0.5","HB6410","Dayani, Milad; Ghaemi, Akbar; Ng, Seik Weng; Tiekink, Edward R. T.","Bis(μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^)bis{(acetato-κ^2^<i>O</i>,<i>O</i>')[2,4,6-tris(2-pyridyl)-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^]lead(II)}","Acta Crystallographica Section E","2011","67","10","m1419","","10.1107/S1600536811038116","","","0.71073","MoKα","","0.0351","0.0242","","","0.0466","0.0492","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231904","5.7796","0.0004","7.4691","0.0005","16.9842","0.0011","77.956","0.002","89.394","0.002","72.547","0.002","682.97","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[2-(3-methoxyphenyl)hydrazinylidene]-3-oxobutanoate","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C26 H32 N4 O8 -","2","1","HB6413","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul; Shetty, Shobhitha; Kalluraya, Balakrishna","Ethyl 2-[2-(3-methoxyphenyl)hydrazinylidene]-3-oxobutanoate","Acta Crystallographica Section E","2011","67","10","o2809","","10.1107/S1600536811039444","","","0.71073","MoKα","","0.0608","0.0497","","","0.1578","0.1803","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231905","16.9941","0.0013","5.8895","0.0005","12.093","0.0009","90","","91.77","0.001","90","","1209.77","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Chloro-3-phenylbenzo[4,5]thiazolo[2,3-<i>c</i>][1,2,4]triazole","","- C14 H8 Cl N3 S -","- C14 H8 Cl N3 S -","- C56 H32 Cl4 N12 S4 -","4","1","HB6414","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Himaja, M.; Munirajasekhar, D.; Sarojini, B. K.","7-Chloro-3-phenylbenzo[4,5]thiazolo[2,3-<i>c</i>][1,2,4]triazole","Acta Crystallographica Section E","2011","67","10","o2810","","10.1107/S1600536811039456","","","0.71073","MoKα","","0.0417","0.0329","","","0.0943","0.1005","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231906","10.114","0.002","11.867","0.002","21.573","0.004","90","","97.12","0.03","90","","2569.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}- 3-(4-methylphenyl)prop-2-en-1-one","","- C29 H32 N2 O3 -","- C29 H32 N2 O3 -","- C116 H128 N8 O12 -","4","1","HB6419","Zhong, Yan; Wu, Bin","(<i>E</i>)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","10","o2791","","10.1107/S1600536811039353","","","0.71073","MoKα","","0.1424","0.0608","","","0.1492","0.1894","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231907","33.811","0.007","4.598","0.001","9.891","0.002","90","","98.957","0.004","90","","1518.9","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-(Propane-1,3-diyl)bis(3-phenylurea)","","- C17 H20 N4 O2 -","- C17 H20 N4 O2 -","- C68 H80 N16 O8 -","4","0.5","HG5067","Pansuriya, Pramod; Naidu, Hariska; Friedrich, Holger B.; Maguire, Glenn E. M.","1,1'-(Propane-1,3-diyl)bis(3-phenylurea)","Acta Crystallographica Section E","2011","67","10","o2552","","10.1107/S1600536811035343","","","0.71073","MoKα","","0.0356","0.0327","","","0.0899","0.0924","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231908","7.2044","0.0004","10.1704","0.0004","12.1194","0.0003","108.125","0.003","98.115","0.004","99.37","0.005","815.08","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(2-<i>p</i>-Tolylbenzo[<i>g</i>]quinolin-3-yl)ethanol","","- C22 H19 N O -","- C22 H19 N O -","- C44 H38 N2 O2 -","2","1","HG5076","Wu, Nan; Zhang, Rongli; Wang, Yumei; Xu, Xin; Xu, Zhou","2-(2-<i>p</i>-Tolylbenzo[<i>g</i>]quinolin-3-yl)ethanol","Acta Crystallographica Section E","2011","67","10","o2770","","10.1107/S1600536811038736","","","0.71073","MoKα","","0.056","0.0425","","","0.1165","0.1265","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231909","8.2084","0.0002","14.127","0.0002","23.1489","0.0004","98.929","0.001","97.914","0.001","103.581","0.001","2534.93","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","4,6,10,12,16,18,22,24-Octa-<i>O</i>-methyl-2,8,14,20- tetrapentylresorcin[4]arene","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","HG5082","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","4,6,10,12,16,18,22,24-Octa-<i>O</i>-methyl-2,8,14,20-tetrapentylresorcin[4]arene","Acta Crystallographica Section E","2011","67","10","o2565","","10.1107/S1600536811034003","","","0.71073","MoKα","","0.0818","0.0509","","","0.1328","0.1482","","","","","","0.987","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231910","12.3716","0.0004","32.692","0.0008","7.44256","0.00018","90","","93.006","0.002","90","","3006.02","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-3-(trimethylsilyl)propan-1-aminium chloride","","- C12 H22 Cl N Si -","- C12 H22 Cl N Si -","- C96 H176 Cl8 N8 Si8 -","8","2","HG5087","Hijji, Yousef M.; Butcher, Ray J.; Jasinski, Jerry P.; White, Zachary; Rosenberg, Robert C.","2-Phenyl-3-(trimethylsilyl)propan-1-aminium chloride","Acta Crystallographica Section E","2011","67","10","o2553","","10.1107/S1600536811035410","","","1.54184","CuKα","","0.138","0.0755","","","0.2071","0.2761","","","","","","1.141","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231911","9.7449","0.0003","10.1063","0.0003","22.8803","0.0007","90","","90","","90","","2253.36","0.12","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-<i>N</i>-(4-chlorophenyl)-2-methylpropanamide","","- C10 H11 Br Cl N O -","- C10 H11 Br Cl N O -","- C80 H88 Br8 Cl8 N8 O8 -","8","1","HG5088","Moreno-Fuquen, Rodolfo; Quintero, David E.; Zuluaga, Fabio; Kennedy, Alan R.; De Almeida Santos, Regina H.","2-Bromo-<i>N</i>-(4-chlorophenyl)-2-methylpropanamide","Acta Crystallographica Section E","2011","67","10","o2580","","10.1107/S1600536811035562","","","0.71073","MoKα","","0.0436","0.0317","","","0.0654","0.0693","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231912","8.3714","0.0003","14.6034","0.0006","8.7518","0.0004","90","","103.118","0.002","90","","1042","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[diaquabis(μ~4~-fumarato- κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)(μ~4~-fumarato- κ^6^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^) (μ~2~-fumaric acid-κ^2^<i>O</i>^1^:<i>O</i>^4^)dipraseodymium(III)]","","- C16 H14 O18 Pr2 -","- C16 H14 O18 Pr2 -","- C32 H28 O36 Pr4 -","2","0.5","HG5089","Liu, Pei-lian; Cao, Wanwan; Wang, Jin; Zeng, Rong-hua; Zeng, Zhuo","Poly[diaquabis(μ~4~-fumarato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)(μ~4~-fumarato-κ^6^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^)(μ~2~-fumaric acid-κ^2^<i>O</i>^1^:<i>O</i>^4^)dipraseodymium(III)]","Acta Crystallographica Section E","2011","67","10","m1433","m1434","10.1107/S1600536811038347","","","0.71073","MoKα","","0.0174","0.0158","","","0.0401","0.0409","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231913","8.9425","0.0002","11.8286","0.0002","23.0922","0.0004","90","","105.72","0.001","90","","2351.27","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,4'-Difluorobenzhydryl piperazinium picrate","4-[bis(4-fluorophenyl)methyl]piperazin-1-ium 2,4,6-trinitrophenolate","","- C23 H21 F2 N5 O7 -","- C23 H21 F2 N5 O7 -","- C92 H84 F8 N20 O28 -","4","1","HG5090","Betz, Richard; Gerber, Thomas; Hosten, Eric; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Narayana, Badiadka","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium picrate","Acta Crystallographica Section E","2011","67","10","o2587","o2588","10.1107/S160053681103580X","","","0.71073","MoKα","","0.0454","0.0392","","","0.1044","0.1107","","","","","","1.027","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231914","12.1437","0.0003","21.295","0.0005","5.7946","0.0001","90","","90","","90","","1498.48","0.06","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-(6-Phenyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-3-yl)-1,3- benzothiazole","","- C17 H11 N5 S2 -","- C17 H11 N5 S2 -","- C68 H44 N20 S8 -","4","1","HG5092","Abdel-Aziz, Hatem A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(6-Phenyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazin-3-yl)-1,3-benzothiazole","Acta Crystallographica Section E","2011","67","10","o2610","","10.1107/S1600536811036452","","","1.5418","CuKα","","0.0345","0.0321","","","0.081","0.0829","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231915","4.79932","0.00007","16.6308","0.0002","10.76331","0.00014","90","","93.225","0.001","90","","857.73","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2<i>R</i>,3<i>S</i>,6<i>S</i>)-3-Acetyloxy-6-(1-phenyl-1<i>H</i>-1,2,3- triazol-4-yl)-3,6-dihydro-2<i>H</i>-pyran-2-yl]methyl acetate","","- C18 H19 N3 O5 -","- C18 H19 N3 O5 -","- C36 H38 N6 O10 -","2","1","HG5093","Zukerman-Schpector, Julio; Stefani, Hélio A.; Silva, Nathalia C. S.; Ng, Seik Weng; Tiekink, Edward R. T.","[(2<i>R</i>,3<i>S</i>,6<i>S</i>)-3-Acetyloxy-6-(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-3,6-dihydro-2<i>H</i>-pyran-2-yl]methyl acetate","Acta Crystallographica Section E","2011","67","10","o2757","o2758","10.1107/S1600536811037305","","","1.54184","CuKα","","0.0335","0.0329","","","0.083","0.0838","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231916","7.8943","0.0001","9.8078","0.0002","23.9145","0.0004","90","","92.803","0.001","90","","1849.38","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methyl-3,3-bis[(4-methylphenyl)sulfanyl]piperidin-2-one","","- C20 H23 N O S2 -","- C20 H23 N O S2 -","- C80 H92 N4 O4 S8 -","4","1","HG5094","Zukerman-Schpector, Julio; Olivato, Paulo R.; Cerqueira Jr, Carlos R.; Santos, Jean M. M.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Methyl-3,3-bis[(4-methylphenyl)sulfanyl]piperidin-2-one","Acta Crystallographica Section E","2011","67","10","o2759","","10.1107/S1600536811037111","","","1.54184","CuKα","","0.0423","0.0394","","","0.1041","0.1066","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231917","33.514","0.003","5.7514","0.0006","7.7172","0.0008","90","","93.808","0.007","90","","1484.2","0.3","126","2","126","2","","","","","","","","5","C 1 2 1","C 2y","5","","(<i>R</i>)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","HG5095","Caracelli, Ignez; Coelho, Daniel C. S.; Olivato, Paulo R.; Correra, Thiago C.; Rodrigues, Alessandro; Tiekink, Edward R. T.","(<i>R</i>)-2-Phenoxy-1-(4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanone","Acta Crystallographica Section E","2011","67","10","o2755","o2756","10.1107/S160053681103858X","","","0.71073","MoKα","","0.0807","0.066","","","0.1687","0.1795","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231918","11.7941","0.0003","8.1725","0.0001","15.3982","0.0003","90","","108.298","0.002","90","","1409.14","0.05","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Diiodido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)","","- C12 H6 Hg I2 N2 O2 -","- C12 H6 Hg I2 N2 O2 -","- C48 H24 Hg4 I8 N8 O8 -","4","1","HG5098","Ghaemi, Akbar; Shojaiean, Rezvan; Ng, Seik Weng; Tiekink, Edward R. T.","Diiodido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)","Acta Crystallographica Section E","2011","67","10","m1449","m1450","10.1107/S1600536811038748","","","0.71073","MoKα","","0.0228","0.0221","","","0.0489","0.0493","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231919","10.4721","0.0007","10.8023","0.0009","10.8487","0.0007","106.699","0.007","99.823","0.005","100.035","0.006","1125.37","0.15","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","{5,5'-Dimethoxy-2,2'-[1,1'-(2,2-dimethylpropane-1,3-diyldinitrilo)\ diethylidyne]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',\ <i>O</i>'}copper(II) monohydrate","","- C23 H30 Cu N2 O5 -","- C23 H30 Cu N2 O5 -","- C46 H60 Cu2 N4 O10 -","2","1","HG5100","Ghaemi, Akbar; Rayati, Saeed; Elahi, Ehsan; Ng, Seik Weng; Tiekink, Edward R. T.","{5,5'-Dimethoxy-2,2'-[1,1'-(2,2-dimethylpropane-1,3-diyldinitrilo)diethylidyne]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) monohydrate","Acta Crystallographica Section E","2011","67","10","m1445","m1446","10.1107/S160053681103889X","","","0.71073","MoKα","","0.0468","0.0371","","","0.0949","0.1051","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231920","17.8088","0.0012","9.4003","0.0004","15.5798","0.0008","90","","90","","90","","2608.2","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Poly[[[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-2,6-dimethylpyridine-3,5-dicarboxylato- κ^2^<i>O</i>^3^:<i>O</i>^5^)zinc] dihydrate]","","- C19 H25 N5 O6 Zn -","- C19 H23 N5 O6 Zn -","- C76 H92 N20 O24 Zn4 -","4","1","HY2452","Yue, Yu-Mei; Qian, Lei; Zhu, Zheng-Hao; Wang, Cheng; Gao, Ting","Poly[[[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-2,6-dimethylpyridine-3,5-dicarboxylato-κ^2^<i>O</i>^3^:<i>O</i>^5^)zinc] dihydrate]","Acta Crystallographica Section E","2011","67","10","m1471","m1472","10.1107/S1600536811039481","","","0.71073","MoKα","","0.0773","0.0619","","","0.162","0.1746","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231921","20.506","0.008","5.534","0.002","20.219","0.008","90","","103.507","0.007","90","","2231","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(3-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]- μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C26 H22 N2 O4 Pb -","- C26 H22 N2 O4 Pb -","- C104 H88 N8 O16 Pb4 -","4","0.5","HY2458","Xie, Jian-Ying; Huang, Fu","<i>catena</i>-Poly[[bis(3-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","10","m1326","","10.1107/S1600536811035021","","","0.71073","MoKα","","0.0206","0.0169","","","0.0401","0.0418","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231922","11.6908","0.0007","11.8643","0.0006","17.2869","0.0013","90","","124.806","0.005","90","","1968.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-3-chlorobenzene-1,2-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^2^)bis[diaqua(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C40 H38 Cl2 Cu2 N4 O12 -","- C40 H38 Cl2 Cu2 N4 O12 -","- C80 H76 Cl4 Cu4 N8 O24 -","2","0.5","HY2462","Li, Fu-An; Xu, Fu; Hu, Xiao-Ming","Bis(μ-3-chlorobenzene-1,2-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^2^)bis[diaqua(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","Acta Crystallographica Section E","2011","67","10","m1366","","10.1107/S1600536811035112","","","0.71073","MoKα","","0.0474","0.0363","","","0.089","0.0943","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231923","7.7742","0.0014","12.472","0.002","12.498","0.002","102.232","0.003","100.737","0.003","104.394","0.003","1110","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(nitrato-κ<i>O</i>)tetrakis[1-phenyl-3-(1<i>H</i>-1,2,4-triazol- 1-yl)propan-1-one]copper(II)","","- C44 H44 Cu N14 O10 -","- C44 H44 Cu N14 O10 -","- C44 H44 Cu N14 O10 -","1","0.5","HY2463","Cai, Hua; Guo, Ying; Li, Jian-Gang; Wu, Yao","Bis(nitrato-κ<i>O</i>)tetrakis[1-phenyl-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one]copper(II)","Acta Crystallographica Section E","2011","67","10","m1385","","10.1107/S160053681103529X","","","0.71073","MoKα","","0.0508","0.0404","","","0.0982","0.105","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231924","9.0721","0.0002","11.703","0.0007","8.2401","0.0009","90","","104.124","0.003","90","","848.41","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1<i>H</i>-pyrazol-5-yl}ethanone","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C32 H44 N12 O8 -","4","1","HY2464","Malinkin, Sergey; Penkova, Larysa; Pavlenko, Vadim A.; Haukka, Matti; Pavlova, Svetlana V.","1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1<i>H</i>-pyrazol-5-yl}ethanone","Acta Crystallographica Section E","2011","67","10","o2634","o2635","10.1107/S1600536811036518","","","0.71073","MoKα","","0.1372","0.1149","","","0.3311","0.3464","","","","","","1.124","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231925","7.2847","0.0006","9.6611","0.0008","10.6263","0.0009","79.6692","0.0013","78.7378","0.0012","88.86","0.0013","721.48","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,5-Bis(2-pyridinium)-3,6-bis(2-pyridyl)pyrazine bis[tetrachloridoaurate(III)]","2,5-Bis(pyridinium-2-yl)-3,6-bis(2-pyridyl)pyrazine bis[tetrachloridoaurate(III)]","","- C24 H18 Au2 Cl8 N6 -","- C24 H18 Au2 Cl8 N6 -","- C24 H18 Au2 Cl8 N6 -","1","0.5","HY2466","Abedi, Anita; Dabbaghi, Azra; Amani, Vahid","2,5-Bis(pyridinium-2-yl)-3,6-bis(2-pyridyl)pyrazine bis[tetrachloridoaurate(III)]","Acta Crystallographica Section E","2011","67","10","m1375","m1376","10.1107/S1600536811036208","","","0.71073","MoKα","","0.0221","0.0189","","","0.0484","0.0498","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231926","11.3736","0.0005","12.0349","0.0006","17.836","0.0008","91.31","0.001","103.187","0.001","106.505","0.001","2269","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-5- hydroxyisophthalato- κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)(μ~3~- 5-hydroxyisophthalato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)(μ~2~-5- hydroxyisophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)didysprosium(III)] dihydrate]","","- C44 H36 Dy2 N4 O19 -","- C44 H36 Dy2 N4 O19 -","- C88 H72 Dy4 N8 O38 -","2","1","HY2467","Zhang, Yan-Lin","Poly[[diaquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-5-hydroxyisophthalato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)(μ~3~-5-hydroxyisophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)(μ~2~-5-hydroxyisophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)didysprosium(III)] dihydrate]","Acta Crystallographica Section E","2011","67","10","m1473","m1474","10.1107/S1600536811039080","","","0.71073","MoKα","","0.0398","0.0347","","","0.091","0.0944","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231927","9.201","0.005","10.335","0.005","11.04","0.006","86.11","0.02","66.51","0.02","73.86","0.018","923.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,4-bis[(pyridin-2- yl)methoxy]benzene-κ^2^<i>N</i>:<i>N</i>']","<i>catena</i>-Poly[dichlorido{μ-1,4-bis[(pyridin-2-yl)methoxy]benzene-\ κ^2^<i>N</i>:<i>N</i>'}mercury(II)]","","- C18 H16 Cl2 Hg N2 O2 -","- C18 H16 Cl2 Hg N2 O2 -","- C36 H32 Cl4 Hg2 N4 O4 -","2","1","HY2469","Liu, Ying; Zhang, Hong-Sen; Hu, Ming-Xing; Hou, Guang-Feng; Gao, Jin-Sheng","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,4-bis[(pyridin-2-yl)methoxy]benzene-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","10","m1427","","10.1107/S1600536811038323","","","0.71073","MoKα","","0.0436","0.0357","","","0.1041","0.1217","","","","","","1.164","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231928","7.7621","0.0001","7.9652","0.0001","8.3416","0.0001","79.618","0.001","65.574","0.001","83.575","0.001","461.483","0.011","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~5~-5-aminoisophthalato)aquabarium]","","- C8 H7 Ba N O5 -","- C8 H7 Ba N O5 -","- C16 H14 Ba2 N2 O10 -","2","1","HY2470","Wu, Cheng-You; Lin, Chia-Her","Poly[(μ~5~-5-aminoisophthalato)aquabarium]","Acta Crystallographica Section E","2011","67","10","m1413","","10.1107/S1600536811037962","","","0.71073","MoKα","","0.0154","0.0149","","","0.0396","0.04","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231929","13.446","0.006","14.125","0.006","20.483","0.008","90","","90","","90","","3890","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')zinc bis(perchlorate) acetonitrile monosolvate","","- C38 H21 Cl2 N7 O14 Zn -","- C38 H21 Cl2 N7 O14 Zn -","- C152 H84 Cl8 N28 O56 Zn4 -","4","1","HY2471","Zhao, Jing; Zhang, Heng; Zhang, Zhaozhi; Zhao, Haiyan; Zhu, Guoyi","Tris(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')zinc bis(perchlorate) acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","10","m1422","m1423","10.1107/S1600536811037081","","","0.71073","MoKα","","0.1233","0.0748","","","0.1946","0.2201","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231930","6.503","0.003","9.249","0.004","9.987","0.004","64.119","0.014","85.868","0.018","73.737","0.014","517.9","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","4,4'-Bipyridine-1,1'-diium 2,3,5,6-tetrabromoterephthalate dihydrate","","- C18 H14 Br4 N2 O6 -","- C18 H14 Br4 N2 O6 -","- C18 H14 Br4 N2 O6 -","1","0.5","IM2306","Kumagai, Hitoshi; Kawata, Satoshi","4,4'-Bipyridine-1,1'-diium 2,3,5,6-tetrabromoterephthalate dihydrate","Acta Crystallographica Section E","2011","67","10","o2636","","10.1107/S1600536811035926","","","0.7107","MoKα","","","0.0312","","","","0.0855","","","","","","1.191","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231931","8.964","0.002","9.013","0.002","12.112","0.003","77.265","0.005","76.881","0.005","76.287","0.004","911.4","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2,2'-Bipyrimidine-1,1'-diium bis(triiodide)‒2,2'-bipyrimidine‒water (1/2/2)","","- C24 H24 I6 N12 O2 -","- C24 H24 I6 N12 O2 -","- C24 H24 I6 N12 O2 -","1","0.5","IM2310","Ha, Kwang","2,2'-Bipyrimidine-1,1'-diium bis(triiodide)‒2,2'-bipyrimidine‒water (1/2/2)","Acta Crystallographica Section E","2011","67","10","o2558","","10.1107/S1600536811034982","","","0.71073","MoKα","","0.0678","0.0534","","","0.1159","0.1322","","","","","","1.306","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231932","7.593","0.005","8.8","0.005","12.658","0.005","108.156","0.005","96.281","0.005","90.536","0.005","798","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido(η^4^-cycloocta-1,5-diene)bis(propanenitrile-κ<i>N</i>)ruthenium(II)","","- C14 H22 Cl2 N2 Ru -","- C14 H22 Cl2 N2 Ru -","- C28 H44 Cl4 N4 Ru2 -","2","1","IM2311","Chiririwa, Haleden; Meijboom, Reinout","Dichlorido(η^4^-cycloocta-1,5-diene)bis(propanenitrile-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section E","2011","67","10","m1336","","10.1107/S1600536811035379","","","0.71069","MoKα","","0.0167","0.0165","","","","0.0432","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231933","16.0251","0.0019","8.455","0.001","17.293","0.002","90","","90","","90","","2343.1","0.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[silver(I)-μ-bis{2-[(<i>E</i>)-phenyldiazenyl]- 1<i>H</i>-imidazol-1-yl}methane] trifluoromethanesulfonate]","","- C20 H16 Ag F3 N8 O3 S -","- C20 H16 Ag F3 N8 O3 S -","- C80 H64 Ag4 F12 N32 O12 S4 -","4","1","IM2314","Wang, Tao; Xu, Ji-Jun; Jin, Chuan-Ming","<i>catena</i>-Poly[[silver(I)-μ-bis{2-[(<i>E</i>)-phenyldiazenyl]-1<i>H</i>-imidazol-1-yl}methane] trifluoromethanesulfonate]","Acta Crystallographica Section E","2011","67","10","m1424","m1425","10.1107/S1600536811035951","","","0.71073","MoKα","","0.0746","0.0649","","","0.1591","0.1666","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231934","8.3634","0.0004","8.9045","0.0004","11.5119","0.0006","75.235","0.002","84.544","0.003","75.054","0.002","800.56","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-(Anthracen-9-ylmethylidene)-4-nitroaniline","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C42 H28 N4 O4 -","2","1","IM2315","Geetha, K.; Kumar, D. K. Andrew Prasanna; Lakshmanan, D.; Savitha, R.; Murugavel, S.","(<i>E</i>)-<i>N</i>-(Anthracen-9-ylmethylidene)-4-nitroaniline","Acta Crystallographica Section E","2011","67","10","o2577","","10.1107/S1600536811035859","","","0.71073","MoKα","","0.1117","0.0699","","","0.2226","0.3061","","","","","","1.123","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231935","7.2771","0.0003","9.2568","0.0005","12.0851","0.0005","83.948","0.004","84.306","0.003","72.133","0.004","768.58","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(4-Chloro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide monohydrate","","- C16 H15 Cl N2 O2 S -","- C16 H15 Cl N2 O2 S -","- C32 H30 Cl2 N4 O4 S2 -","2","1","IM2316","Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Narayana, B.","<i>N</i>-(4-Chloro-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)acetamide monohydrate","Acta Crystallographica Section E","2011","67","10","o2602","o2603","10.1107/S1600536811035872","","","0.71073","MoKα","","0.0364","0.0313","","","0.0855","0.0893","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231936","8.908","0.005","19.567","0.005","13.908","0.005","90","","104.01","0.005","90","","2352.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dichlatazol","{4-[(2,4-Dichlorobenzoyloxy)methyl]-1-phenyl-1<i>H</i>- 1,2,3-triazol-5-yl}methyl 2,4-dichlorobenzoate","","- C24 H15 Cl4 N3 O4 -","- C24 H15 Cl4 N3 O4 -","- C96 H60 Cl16 N12 O16 -","4","1","IS2762","Ismatov, Dilmurot; Azizov, Umarkhon; Talipov, Samat; Ashurov, Jamshid","{4-[(2,4-Dichlorobenzoyloxy)methyl]-1-phenyl-1<i>H</i>-1,2,3-triazol-5-yl}methyl 2,4-dichlorobenzoate","Acta Crystallographica Section E","2011","67","10","o2590","","10.1107/S1600536811035550","","","1.54184","CuKα","","0.0491","0.0374","","","0.1007","0.1069","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231937","21.372","0.003","6.0892","0.0015","11.372","0.003","90","","97.248","0.002","90","","1468.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Bromo-2-{[2-(morpholin-4-yl)ethylimino]methyl}phenolato)dioxidovanadium(V)","","- C13 H16 Br N2 O4 V -","- C13 H16 Br N2 O4 V -","- C52 H64 Br4 N8 O16 V4 -","4","1","IS2767","Wang, Chen-Yi; Wu, Xiang; Cao, Feng; Yuan, Cai-Jun","(4-Bromo-2-{[2-(morpholin-4-yl)ethylimino]methyl}phenolato)dioxidovanadium(V)","Acta Crystallographica Section E","2011","67","10","m1330","","10.1107/S1600536811035240","","","0.71073","MoKα","","0.0805","0.0439","","","0.0871","0.0963","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231938","10.794","0.002","7.0019","0.0014","23.65","0.006","90","","109.02","0.03","90","","1689.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^4^,<i>N</i>^6^-Dimethyl-5-nitro-<i>N</i>^4^,<i>N</i>^6^- diphenylpyrimidine-4,6-diamine","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C72 H68 N20 O8 -","4","1","IS2768","Shi, Fuqiang; Zhu, Li-Hong; Zhang, Long; Li, Ya-Feng","<i>N</i>^4^,<i>N</i>^6^-Dimethyl-5-nitro-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,6-diamine","Acta Crystallographica Section E","2011","67","10","o2559","","10.1107/S1600536811035094","","","0.71073","MoKα","","0.1615","0.0741","","","0.1197","0.1458","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231939","23.1413","0.0007","4.9589","0.0004","11.0879","0.0006","90","","103.075","0.006","90","","1239.41","0.13","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{[(Benzyloxy)carbonyl]amino}butanoic acid","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","IS2769","Kimino, Taira; Fujii, Isao","3-{[(Benzyloxy)carbonyl]amino}butanoic acid","Acta Crystallographica Section E","2011","67","10","o2560","","10.1107/S1600536811035276","","","1.54184","CuKα","","0.079","0.0461","","","0.1113","0.1313","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231940","21.35","0.003","11.067","0.0014","21.064","0.003","90","","100.227","0.002","90","","4897.9","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(2-Hydroxyphenyl)-3,4-dihydroisoquinolin-1(2<i>H</i>)-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C240 H208 N16 O32 -","16","2","IS2770","Yang, Jian; Ma, Yanni; Pan, Meng; Cao, Fangjun; Zhou, Le","2-(2-Hydroxyphenyl)-3,4-dihydroisoquinolin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","10","o2721","","10.1107/S160053681103710X","","","0.71073","MoKα","","0.074","0.0411","","","0.0998","0.12","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231941","8.486","0.0004","8.6175","0.0004","11.7507","0.0006","77.489","0.001","81.732","0.001","67.977","0.001","775.83","0.07","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-[3-(1<i>H</i>-imidazol-1-yl)propylamino]-3-nitrobenzoate","","- C15 H18 N4 O4 -","- C15 H18 N4 O4 -","- C30 H36 N8 O8 -","2","1","IS2771","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Loh, Wan-Sin; Fun, Hoong-Kun","Ethyl 4-[3-(1<i>H</i>-imidazol-1-yl)propylamino]-3-nitrobenzoate","Acta Crystallographica Section E","2011","67","10","o2606","","10.1107/S1600536811036300","","","0.71073","MoKα","","0.0589","0.0494","","","0.1584","0.1731","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231942","12.4401","0.0018","13.264","0.0019","12.8951","0.0018","90","","117.199","0.003","90","","1892.5","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ-2,2'-Bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]","","- C8 H18 Mn2 N4 O14 S2 -","- C8 H18 Mn2 N4 O14 S2 -","- C32 H72 Mn8 N16 O56 S8 -","4","1","IS2772","Ha, Kwang","(μ-2,2'-Bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]","Acta Crystallographica Section E","2011","67","10","m1349","m1350","10.1107/S160053681103604X","","","0.71073","MoKα","","0.0722","0.0375","","","0.0862","0.1104","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231943","24.2052","0.0006","9.7594","0.0003","7.2764","0.0002","90","","90","","90","","1718.89","0.08","100","0.1","100","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Ethylpiperidinium chloride","","- C7 H16 Cl N -","- C7 H16 Cl N -","- C56 H128 Cl8 N8 -","8","1","IS2773","Al-Dajani, Mohammad T. M.; Talaat, Jamal; Salhin, Abdusalam; Hemamalini, Madhukar; Fun, Hoong-Kun","2-Ethylpiperidinium chloride","Acta Crystallographica Section E","2011","67","10","o2653","","10.1107/S1600536811036804","","","0.71073","MoKα","","0.0591","0.04","","","0.0811","0.0882","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231944","14.0931","0.0013","6.4859","0.0006","14.5707","0.0014","90","","117.182","0.002","90","","1184.77","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1<i>H</i>-1,2,4-Triazol-4-ium 4-nitrobenzenesulfonate monohydrate","","- C8 H10 N4 O6 S -","- C8 H10 N4 O6 S -","- C32 H40 N16 O24 S4 -","4","1","IS2774","Hemamalini, Madhukar; Razak, Ibrahim Abdul; Fun, Hoong-Kun","1<i>H</i>-1,2,4-Triazol-4-ium 4-nitrobenzenesulfonate monohydrate","Acta Crystallographica Section E","2011","67","10","o2655","","10.1107/S1600536811036774","","","0.71073","MoKα","","0.0564","0.0428","","","0.1325","0.1444","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231945","8.6207","0.0001","7.1695","0.0001","22.9228","0.0003","90","","99.168","0.001","90","","1398.67","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-phenoxy-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","IS2775","Shahani, Tara; Fun, Hoong-Kun; Shetty, Shobhitha; Kalluraya, Balakrishna","3-Methyl-5-phenoxy-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","10","o2646","","10.1107/S1600536811036786","","","0.71073","MoKα","","0.0611","0.0439","","","0.1159","0.1272","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231946","13.422","0.0011","6.2411","0.0005","21.1374","0.0016","90","","104.575","0.002","90","","1713.7","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol- 4-yl)imino]methyl}-3-(<i>p</i>-tolyl)-1,2,3-oxadiazol-3-ium-5-olate","","- C15 H16 N6 O2 S -","- C15 H16 N6 O2 S -","- C60 H64 N24 O8 S4 -","4","1","IS2776","Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna","(<i>E</i>)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-4-yl)imino]methyl}-3-(<i>p</i>-tolyl)-1,2,3-oxadiazol-3-ium-5-olate","Acta Crystallographica Section E","2011","67","10","o2668","o2669","10.1107/S1600536811037287","","","0.71073","MoKα","","0.059","0.039","","","0.1083","0.1234","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231947","13.5734","0.0015","10.1402","0.0011","10.1496","0.0011","90","","104.305","0.002","90","","1353.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-2-phenyl-1,3-thiazolidin-4-one","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","IS2778","Fun, Hoong-Kun; Hemamalini, Madhukar; Shanmugavelan, Poovan; Ponnuswamy, Alagusundaram; Jagatheesan, Rathinavel","3-Benzyl-2-phenyl-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","10","o2706","","10.1107/S1600536811037706","","","0.71073","MoKα","","0.0647","0.0404","","","0.0989","0.1123","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231948","5.9178","0.0002","16.6269","0.0009","22.8564","0.0011","90","","90","","90","","2248.95","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(1<i>R</i>,3<i>S</i>)-6,7-Dimethoxy-1-phenyl-1,2,3,4- tetrahydroisoquinolin-3-yl]-4-phenyl-1,3-thiazole","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","IS2779","Pawar, Sunayna; Katharigatta, Venugopala; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","2-[(1<i>R</i>,3<i>S</i>)-6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2011","67","10","o2722","","10.1107/S1600536811037494","","","0.71073","MoKα","","0.1346","0.0752","","","0.0946","0.1085","","","","","","1.207","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231949","4.9125","0.001","5.6909","0.0011","10.464","0.002","82.21","0.03","79.72","0.03","78.96","0.03","280.95","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Methyl-1,2-oxazole-3-carboxylic acid","","- C5 H5 N O3 -","- C5 H5 N O3 -","- C10 H10 N2 O6 -","2","1","JH2316","Pan, Mei-Ling; Luo, Yang-Hui; Li, Jin-Feng","5-Methyl-1,2-oxazole-3-carboxylic acid","Acta Crystallographica Section E","2011","67","10","o2545","","10.1107/S160053681103532X","","","0.71073","MoKα","","0.0926","0.0836","","","0.2159","0.2299","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231950","10.9773","0.0002","12.6514","0.0002","12.9171","0.0002","102.387","0.001","104.899","0.001","103.306","0.001","1614.03","0.05","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(benzyloxy)-1,2-bis(4-chlorophenyl)-3,8-dimethoxyacenaphthene","","- C40 H32 Cl2 O4 -","- C40 H32 Cl2 O4 -","- C80 H64 Cl4 O8 -","2","1","JH2320","Takada, Teruhisa; Hijikata, Daichi; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","1,2-Bis(benzyloxy)-1,2-bis(4-chlorophenyl)-3,8-dimethoxyacenaphthene","Acta Crystallographica Section E","2011","67","10","o2562","o2563","10.1107/S1600536811035495","","","1.54187","CuKα","","0.0387","0.0374","","","0.1052","0.1067","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231951","7.1079","0.0008","26.818","0.003","8.1555","0.001","90","","101.408","0.002","90","","1523.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acrylonitrile-κ<i>N</i>)dichlorido(η^4^-cycloocta-1,5-diene)ruthenium(II)","","- C14 H18 Cl2 N2 Ru -","- C14 H18 Cl2 N2 Ru -","- C56 H72 Cl8 N8 Ru4 -","4","1","JH2321","Chiririwa, Haleden; Meijboom, Reinout","Bis(acrylonitrile-κ<i>N</i>)dichlorido(η^4^-cycloocta-1,5-diene)ruthenium(II)","Acta Crystallographica Section E","2011","67","10","m1335","","10.1107/S1600536811035380","","","0.71073","MoKα","","0.0449","0.033","","","","0.0748","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231952","7.333","0.005","7.412","0.005","7.666","0.005","74.621","0.005","83.064","0.005","86.496","0.005","398.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dicaesium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)","","- C2 H12 Co Cs2 O14 P4 -","- C2 H12 Co Cs2 O14 P4 -","- C2 H12 Co Cs2 O14 P4 -","1","0.5","JH2322","van der Merwe, Kina; Visser, Hendrik G.; Venter, Johan A.","Dicaesium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)","Acta Crystallographica Section E","2011","67","10","m1354","","10.1107/S1600536811035355","","","0.71073","MoKα","","","0.015","","","","0.0437","","","","","","0.753","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231953","16.121","0.003","15.568","0.003","7.9607","0.0016","90","","97.42","0.03","90","","1981.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Poly[diaquabis(quinoline-3-carboxylato-κ^2^<i>O,O'</i>-υ^2^)strontium(II)]","<i>catena</i>-Poly[[diaquastrontium]-bis(μ-quinoline-3-carboxylato)]","","- C20 H16 N2 O6 Sr -","- C20 H16 N2 O6 Sr -","- C80 H64 N8 O24 Sr4 -","4","1","JH2325","Miao, Dong-Liang; Li, Shi-Jie; Song, Wen-Dong; Ma, Xiao-Tian; Li, Xiao-Fei","<i>catena</i>-Poly[[diaquastrontium]-bis(μ-quinoline-3-carboxylato)]","Acta Crystallographica Section E","2011","67","10","m1386","m1387","10.1107/S1600536811036610","","","0.71073","MoKα","","0.0674","0.0368","","","0.0709","0.1124","","","","","","1.185","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231954","12.373","0.003","7.3011","0.0015","17.556","0.004","90","","106.88","0.03","90","","1517.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-Dimethylanilinium 4-methylbenzenesulfonate","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","JH2327","Wang, Shi Juan","3,4-Dimethylanilinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","10","o2780","","10.1107/S160053681103892X","","","0.71073","MoKα","","0.1019","0.0824","","","0.2127","0.229","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231955","9.266","0.0019","9.882","0.002","10.26","0.002","109.59","0.03","115.79","0.03","98.39","0.03","748.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl(4-methylphenyl)ammonium naphthalene-1,5-disulfonate dihydrate","","- C28 H38 N2 O8 S2 -","- C28 H38 N2 O8 S2 -","- C28 H38 N2 O8 S2 -","1","0.5","JH2329","Wei, Bin","Dimethyl(4-methylphenyl)ammonium naphthalene-1,5-disulfonate dihydrate","Acta Crystallographica Section E","2011","67","10","o2678","","10.1107/S1600536811037068","","","0.71073","MoKα","","0.0481","0.04","","","0.1089","0.1147","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231956","6.2718","0.0001","19.0285","0.0003","8.453","0.0002","90","","110.184","0.002","90","","946.85","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-{(1<i>S</i>,2<i>S</i>,4a<i>R</i>,8<i>R</i>,8a<i>R</i>)-8-Hydroxy- 4a,8-dimethyl-1-[(2<i>E</i>)-2-methylbut-2-enoyloxy]decahydronaphthalen- 2-yl}acrylic acid","","- C20 H30 O5 -","- C20 H30 O5 -","- C40 H60 O10 -","2","1","JH2330","Kheyrabadi, Rasool; Habibi, Zohreh; Ng, Seik Weng","2-{(1<i>S</i>,2<i>S</i>,4a<i>R</i>,8<i>R</i>,8a<i>R</i>)-8-Hydroxy-4a,8-dimethyl-1-[(2<i>E</i>)-2-methylbut-2-enoyloxy]perhydronaphthalen-2-yl}acrylic acid from <i>Sclerorhachis platyrachis</i>","Acta Crystallographica Section E","2011","67","10","o2699","","10.1107/S1600536811037640","","","1.54184","CuKα","","0.0281","0.0279","","","0.0755","0.0758","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231957","8.7428","0.0002","25.7551","0.0005","6.966","0.0001","90","","97.46","0.001","90","","1555.27","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(1,3-Benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol- 3(2<i>H</i>)-one","","- C18 H15 N3 O S -","- C18 H15 N3 O S -","- C72 H60 N12 O4 S4 -","4","1","JH2331","Chakib, Imane; Zerzouf, Abdelfettah; Rodi, Youssef Kandri; Essassi, El Mokhtar; Ng, Seik Weng","4-(1,3-Benzothiazol-2-yl)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","10","o2700","","10.1107/S1600536811037652","","","0.71073","MoKα","","0.0805","0.0473","","","0.1135","0.1313","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231958","14.203","0.0005","16.1935","0.0006","16.9107","0.0006","90","","102.372","0.0019","90","","3799.1","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-Bis(2-methylphenyl)-<i>N</i>''-(2,2,2- trichloroacetyl)phosphoric triamide","","- C16 H17 Cl3 N3 O2 P -","- C16 H17 Cl3 N3 O2 P -","- C128 H136 Cl24 N24 O16 P8 -","8","1","JJ2101","Pourayoubi, Mehrdad; Keikha, Mojtaba; Parvez, Masood","<i>N</i>,<i>N</i>'-Bis(2-methylphenyl)-<i>N</i>''-(2,2,2-trichloroacetyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","10","o2792","","10.1107/S1600536811039511","","","0.71073","MoKα","","0.1063","0.0707","","","0.1219","0.1412","","","","","","1.105","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231959","4.8538","0.0002","9.5323","0.0004","15.6718","0.0006","90","","90","","90","","725.1","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-Deoxy-α-D-glucopyranose","2-Deoxy-α-D-<i>arabino</i>-hexopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","KJ2184","Hess, David; Klüfers, Peter","2-Deoxy-α-<small>D</small>-<i>arabino</i>-hexopyranose","Acta Crystallographica Section E","2011","67","10","o2615","","10.1107/S1600536811035264","","","0.71073","MoKα","","0.0372","0.035","","","0.095","0.0966","","","","","","1.137","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231960","18.6904","0.0008","6.2611","0.0004","17.3567","0.0007","90","","96.791","0.001","90","","2016.87","0.18","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl <i>N</i>-(4-hydroxybenzyl)-<i>N</i>-[4-(prop-2-ynyloxy)benzyl]carbamate","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","KJ2185","Ao, Lei; Tu, Jie-Hong; Huang, Xuan; Ding, Bao-Yue","<i>tert</i>-Butyl <i>N</i>-(4-hydroxybenzyl)-<i>N</i>-[4-(prop-2-ynyloxy)benzyl]carbamate","Acta Crystallographica Section E","2011","67","10","o2642","","10.1107/S160053681103683X","","","0.71073","MoKα","","0.0937","0.0462","","","0.1111","0.1493","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231961","23.4948","0.0006","23.4948","0.0006","23.4948","0.0006","90","","90","","90","","12969.3","0.6","173","2","173","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Tetrakis(diethyl ether)tetra-μ~4~-oxido-octakis(pentafluorophenyl)octazinc","","- C64 H40 F40 O8 Zn8 -","- C64 H40 F40 O8 Zn8 -","- C384 H240 F240 O48 Zn48 -","6","0.25","KJ2188","Franz, Daniel; Lerner, Hans-Wolfram; Bolte, Michael","Tetrakis(diethyl ether)tetra-μ~4~-oxido-octakis(pentafluorophenyl)octazinc","Acta Crystallographica Section E","2011","67","10","m1395","","10.1107/S160053681103697X","","","0.71073","MoKα","","0.0443","0.0382","","","0.0904","0.0929","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231962","10.0657","0.0007","10.2174","0.0007","11.3598","0.0007","90","","97.649","0.002","90","","1157.91","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Methyl 2-bromomethyl-3-(2-chlorophenyl)acrylate","","- C11 H10 Br Cl O2 -","- C11 H10 Br Cl O2 -","- C44 H40 Br4 Cl4 O8 -","4","1","KJ2189","Madhanraj, R.; Vijayakumar, S.; Selvakumar, R.; Bakthadoss, M.; Murugavel, S.","(<i>Z</i>)-Methyl 2-bromomethyl-3-(2-chlorophenyl)acrylate","Acta Crystallographica Section E","2011","67","10","o2812","","10.1107/S1600536811039663","","","0.71073","MoKα","","0.068","0.034","","","0.0764","0.0888","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231963","11.2562","0.0006","13.1744","0.0007","20.3965","0.0012","90","","90","","90","","3024.7","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[bis(dimethylformamide)[μ~7~-5,5'-(methylenedioxy)diisophthalato]dizinc] dimethylformamide monosolvate]","","- C26 H29 N3 O13 Zn2 -","- C26 H29 N3 O13 Zn2 -","- C104 H116 N12 O52 Zn8 -","4","1","KP2331","Li, Chuan-Qiang; Qiu, Wen-Ge; He, Hong","Poly[[bis(dimethylformamide)[μ~7~-5,5'-(methylenedioxy)diisophthalato]dizinc] dimethylformamide monosolvate]","Acta Crystallographica Section E","2011","67","10","m1406","","10.1107/S1600536811037056","","","0.71073","MoKα","","0.0264","0.0257","","","0.064","0.0643","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231964","13.0924","0.0013","5.8473","0.0006","23.061","0.002","90","","92.865","0.002","90","","1763.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-3,9-Bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane","","- C19 H18 Cl2 O4 -","- C19 H18 Cl2 O4 -","- C76 H72 Cl8 O16 -","4","1","KP2345","Li, Zhengyi; Zhou, Beibei; Chen, Liang; Ge, Ling; Sun, Xiaoqiang","<i>rac</i>-3,9-Bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane","Acta Crystallographica Section E","2011","67","10","o2672","","10.1107/S1600536811037172","","","0.71073","MoKα","","0.0427","0.0341","","","0.0874","0.0914","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231965","12.7479","0.0008","15.8091","0.001","22.8897","0.0015","90","","97.378","0.002","90","","4574.8","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1344 [RuCl(p-cym)(Walphos-002-1)]PF6","(<i>R</i>,<i>R</i>~Fc~,<i>S</i>~Ru~)-Chlorido(η^6^-<i>p</i>-cymene){1-[1- (diphenylphosphanyl)ethyl]-2-[2-(diphenylphosphanyl)phenyl]ferrocene- κ^2^<i>P</i>,<i>P</i>'}ruthenium(II) hexafluoridophosphate","","- C52 H50 Cl F6 Fe P3 Ru -","- C52 H50 Cl F6 Fe P3 Ru -","- C208 H200 Cl4 F24 Fe4 P12 Ru4 -","4","2","KP2346","Schuecker, Raffael; Weissensteiner, Walter; Mereiter, Kurt","(<i>R</i>,<i>R</i>~Fc~,<i>S</i>~Ru~)-Chlorido(η^6^-<i>p</i>-cymene){1-[1-(diphenylphosphanyl)ethyl]-2-[2-(diphenylphosphanyl)phenyl]ferrocene-κ^2^<i>P</i>,<i>P</i>'}ruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2011","67","10","m1379","m1380","10.1107/S1600536811036506","","","0.71073","MoKα","","0.0282","0.027","","","0.0681","0.0688","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231966","10.943","0.003","19.77","0.006","14.23","0.003","90","","129.232","0.013","90","","2384.6","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido[1-(2,6-dimethylphenylimino)-1,2-diphenylpropan-2-ol- κ^2^<i>N</i>,<i>O</i>]palladium(II) methanol monosolvate","","- C24 H27 Cl2 N O2 Pd -","- C24 H27 Cl2 N O2 Pd -","- C96 H108 Cl8 N4 O8 Pd4 -","4","1","KP2349","Liu, Feng-Shou; Huang, Ying-Tang; Shen, Dong-Sheng; Yao, Hua-Gang","Dichlorido[1-(2,6-dimethylphenylimino)-1,2-diphenylpropan-2-ol-κ^2^<i>N</i>,<i>O</i>]palladium(II) methanol monosolvate","Acta Crystallographica Section E","2011","67","10","m1435","","10.1107/S1600536811037986","","","0.71073","MoKα","","0.0577","0.0424","","","0.0755","0.0822","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231967","6.5181","0.0003","13.3206","0.0007","14.3081","0.0007","90","","91.68","0.004","90","","1241.77","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[1,5-Bis(4-aminophenyl)-1,5- dihydrobenzo[1,2-<i>d</i>;4,5-<i>d</i>']diimidazole-2,6-diyl]diphenol","","- C32 H24 N6 O2 -","- C32 H24 N6 O2 -","- C64 H48 N12 O4 -","2","0.5","KP2351","Blagus, Anita; Kaitner, Branko","2,2'-[1,5-Bis(4-aminophenyl)-1,5-dihydrobenzo[1,2-<i>d</i>;4,5-<i>d</i>']diimidazole-2,6-diyl]diphenol","Acta Crystallographica Section E","2011","67","10","o2666","o2667","10.1107/S1600536811036737","","","0.71069","MoKα","","0.101","0.0528","","","0.1036","0.1234","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231968","12.901","0.004","5.057","0.002","16.962","0.006","90","","106.513","0.009","90","","1061","0.7","203","","203","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,7-Diethyl-4,10-diisopropyltetracene","","- C28 H32 -","- C28 H32 -","- C56 H64 -","2","0.5","LD2024","Kitamura, Chitoshi; Kano, Hiroyuki; Kawase, Takeshi; Kobayashi, Takashi; Naito, Hiroyoshi","1,7-Diethyl-4,10-diisopropyltetracene","Acta Crystallographica Section E","2011","67","10","o2611","","10.1107/S1600536811036415","","","0.71073","MoKα","","0.1324","0.0814","","","0.203","0.2824","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231969","8.4441","0.0003","9.7556","0.0003","13.8546","0.0005","73.831","0.002","82.858","0.002","87.962","0.002","1087.65","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl <i>rac</i>-(2<i>R</i>,11<i>S</i>,12<i>R</i>)-12-(2-chlorophenyl)- 22-oxo-9,13,21-trioxapentacyclo[12.8.0.0^2,11^.0^3,8^.0^15,20^]docosa- 1(14),3,5,7,15(20),16,18-heptaene-11-carboxylate","","- C27 H19 Cl O6 -","- C27 H19 Cl O6 -","- C54 H38 Cl2 O12 -","2","1","LD2025","Swaminathan, K.; Sethusankar, K.; Sivakumar, G.; Bakthadoss, M.","Methyl <i>rac</i>-(2<i>R</i>,11<i>S</i>,12<i>R</i>)-12-(2-chlorophenyl)-22-oxo-9,13,21-trioxapentacyclo[12.8.0.0^2,11^.0^3,8^.0^15,20^]docosa-1(14),3,5,7,15(20),16,18-heptaene-11-carboxylate","Acta Crystallographica Section E","2011","67","10","o2673","","10.1107/S1600536811037196","","","0.71073","MoKα","","0.0595","0.0458","","","0.1274","0.1426","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231970","8.6788","0.0017","15.117","0.003","13.283","0.003","90","","99.58","0.03","90","","1718.4","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-(6<i>S</i>)-6-Hydroxy-6-{2-[2-(propan-2- ylidene)hydrazinylidene]propyl}indolo[2,1-<i>b</i>]quinazolin-12(6<i>H</i>)-one","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","LD2027","Rodstein, Matthew E.; Steffen, Paul D.; Krivogorsky, Bogdana; Grundt, Peter","<i>rac</i>-(6<i>S</i>)-6-Hydroxy-6-{2-[2-(propan-2-ylidene)hydrazinylidene]propyl}indolo[2,1-<i>b</i>]quinazolin-12(6<i>H</i>)-one","Acta Crystallographica Section E","2011","67","10","o2695","o2696","10.1107/S1600536811037408","","","0.71073","MoKα","","0.098","0.0624","","0.1605","0.1284","0.1605","","","","","","1.0129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231971","10.9296","0.0009","12.2221","0.001","12.3423","0.001","90","","91.443","0.001","90","","1648.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraethyl-<i>N</i>''-(2- fluorobenzoyl)phosphoric triamide","","- C15 H25 F N3 O2 P -","- C15 H25 F N3 O2 P -","- C60 H100 F4 N12 O8 P4 -","4","1","LH5308","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Rheingold, Arnold L.; Golen, James A.","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraethyl-<i>N</i>''-(2-fluorobenzoyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","10","o2643","","10.1107/S1600536811036944","","","0.71073","MoKα","","0.0591","0.0466","","","0.1096","0.1215","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231972","9.2939","0.0008","7.0159","0.0006","10.5536","0.0011","90","","103.322","0.001","90","","669.63","0.11","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-Methylpropan-2-aminium 2-(methoxycarbonyl)benzoate","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C26 H38 N2 O8 -","2","0.5","LH5313","Li, Jian","2-Methylpropan-2-aminium 2-(methoxycarbonyl)benzoate","Acta Crystallographica Section E","2011","67","10","o2705","","10.1107/S1600536811037688","","","0.71073","MoKα","","0.0786","0.0467","","","0.1155","0.1374","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231973","10.087","0.002","11.974","0.002","17.473","0.004","86.34","0.03","81.27","0.02","83.15","0.03","2068.8","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","{<i>N</i>,<i>N</i>-Bis[2-(diphenylphosphanyl)ethyl]aniline}(η^2^-dibenzylideneacetone)palladium(0)","","- C51 H47 N O P2 Pd -","- C51 H47 N O P2 Pd -","- C102 H94 N2 O2 P4 Pd2 -","2","1","LH5314","Keskin, Seyma Gören; Stanley, Julie M.; Mejía, Michelle L.; Holliday, Bradley J.","{<i>N</i>,<i>N</i>-Bis[2-(diphenylphosphanyl)ethyl]aniline}(η^2^-dibenzylideneacetone)palladium(0)","Acta Crystallographica Section E","2011","67","10","m1327","","10.1107/S1600536811033800","","","0.71073","MoKα","","0.0563","0.0414","","","0.0851","0.0887","","","","","","1.582","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231974","10.0152","0.0011","13.1911","0.0015","13.443","0.0015","90","","110.957","0.002","90","","1658.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-Benzoxazol-2-yl)-1-phenylethenyl benzoate","","- C22 H15 N O3 -","- C22 H15 N O3 -","- C88 H60 N4 O12 -","4","1","LH5319","Ghorbani, Mohammad Hassan","2-(1,3-Benzoxazol-2-yl)-1-phenylethenyl benzoate","Acta Crystallographica Section E","2011","67","10","o2723","","10.1107/S1600536811036920","","","0.71073","MoKα","","0.0479","0.0366","","","0.085","0.0929","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231975","10.6514","0.0005","11.5984","0.0005","13.5681","0.0006","103.738","0.003","97.201","0.002","107.584","0.002","1516.59","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Cyclohexyl(methyl)ammonium {bis[cyclohexyl(methyl)amino]phosphoryl}(4-methylphenylsulfonyl)azanide","","- C28 H51 N4 O3 P S -","- C28 H51 N4 O3 P S -","- C56 H102 N8 O6 P2 S2 -","2","1","LH5320","Pourayoubi, Mehrdad; Fadaei, Hassan; Tarahhomi, Atekeh; Parvez, Masood","Cyclohexyl(methyl)ammonium {bis[cyclohexyl(methyl)amino]phosphoryl}(4-methylphenylsulfonyl)azanide","Acta Crystallographica Section E","2011","67","10","o2795","","10.1107/S160053681103950X","","","0.71073","MoKα","","0.1473","0.085","","","0.1534","0.1885","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231976","10.1885","0.0004","11.4967","0.0004","13.2492","0.0005","90","","120.003","0.003","90","","1343.97","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[2-(2-methoxyphenyl)hydrazinylidene]-3-oxobutanoate","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","LH5322","Fun, Hoong-Kun; Hemamalini, Madhukar; Shetty, Shobhitha; Kalluraya, BalaKrishna","Ethyl 2-[2-(2-methoxyphenyl)hydrazinylidene]-3-oxobutanoate","Acta Crystallographica Section E","2011","67","10","o2571","","10.1107/S1600536811034854","","","0.71073","MoKα","","0.0571","0.0438","","","0.107","0.1155","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231977","25.608","0.0018","11.6686","0.0008","9.0823","0.0006","90","","98.907","0.002","90","","2681.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-[2-(4-Bromophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro- 1<i>H</i>-pyrazole-1-carbothioamide","","- C11 H10 Br N5 O S -","- C11 H10 Br N5 O S -","- C88 H80 Br8 N40 O8 S8 -","8","1","LH5323","Fun, Hoong-Kun; Hemamalini, Madhukar; Shetty, Shobhitha; Kalluraya, BalaKrishna","4-[2-(4-Bromophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2011","67","10","o2570","","10.1107/S1600536811034726","","","0.71073","MoKα","","0.0619","0.0396","","","0.1106","0.1269","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231978","7.327","0.003","12.064","0.005","13.691","0.006","65.794","0.008","75.603","0.009","85.484","0.009","1068.8","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-(3-Cinnamoylthioureido)acetic acid dimethyl sulfoxide disolvate","","- C16 H24 N2 O5 S3 -","- C16 H24 N2 O5 S3 -","- C32 H48 N4 O10 S6 -","2","1","LH5324","Hassan, Ibrahim N.; Wan Daud, Wan Ramli; Yamin, Bohari M.; Kassim, Mohammad B.","(<i>E</i>)-2-(3-Cinnamoylthioureido)acetic acid dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2011","67","10","o2686","","10.1107/S1600536811036750","","","0.71073","MoKα","","0.1142","0.0852","","","0.2264","0.2505","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231979","14.2038","0.0017","8.1932","0.001","21.233","0.003","90","","98.298","0.002","90","","2445.1","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1-Dimethylhydrazin-1-ium picrate","","- C8 H11 N5 O7 -","- C8 H11 N5 O7 -","- C64 H88 N40 O56 -","8","1","LH5325","Mu, Xiao-Gang; Wang, Xuan-Jun; Liu, Xiang-Xuan; Cui, Hu; Wang, Huanchun","1,1-Dimethylhydrazin-1-ium picrate","Acta Crystallographica Section E","2011","67","10","o2749","","10.1107/S1600536811038554","","","0.71073","MoKα","","0.0802","0.0549","","","0.1218","0.1347","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231980","9.5546","0.0019","10.91","0.002","26.477","0.005","90","","90","","90","","2760","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-4-ethylpiperazine-1-carboxamide","","- C13 H18 Cl N3 O -","- C13 H18 Cl N3 O -","- C104 H144 Cl8 N24 O8 -","8","1","LH5326","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)-4-ethylpiperazine-1-carboxamide","Acta Crystallographica Section E","2011","67","10","o2574","","10.1107/S1600536811035331","","","0.71073","MoKα","","0.1117","0.0607","","","0.1502","0.1869","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231981","3.8545","0.0016","17.689","0.007","20.752","0.009","86.754","0.008","86.585","0.007","84.169","0.007","1403.3","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2-Methyl-1<i>H</i>-benzimidazol-3-ium hydrogen phthalate","2-Methyl-1<i>H</i>-benzimidazol-3-ium 2-carboxybenzoate","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","2","LH5327","Lin, Feng; Jin, Shouwen; Tong, Kai; He, Haidong; Yu, YuanQi","2-Methyl-1<i>H</i>-benzimidazol-3-ium hydrogen phthalate","Acta Crystallographica Section E","2011","67","10","o2592","","10.1107/S1600536811036178","","","0.71073","MoKα","","0.182","0.0815","","","0.1924","0.2316","","","","","","0.887","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231982","14.2611","0.0004","6.7587","0.0002","16.0316","0.0009","90","","91.252","0.003","90","","1544.86","0.11","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(4-Hydroxyphenyl)-3-(trimethylsilyl)propanaminium chloride","","- C12 H22 Cl N O Si -","- C12 H22 Cl N O Si -","- C48 H88 Cl4 N4 O4 Si4 -","4","1","LH5328","Hijji, Yousef M.; Butcher, Ray J.; Jasinski, Jerry P.; White, Zachary; Rosenberg, Robert C.","2-(4-Hydroxyphenyl)-3-(trimethylsilyl)propanaminium chloride","Acta Crystallographica Section E","2011","67","10","o2694","","10.1107/S1600536811037639","","","1.54184","CuKα","","0.0945","0.061","","","0.1822","0.2443","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231983","29.075","0.003","9.2358","0.001","11.4374","0.0012","90","","103.29","0.002","90","","2989","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Dibromo-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)propan-1-one","","- C15 H11 Br2 Cl O2 -","- C15 H11 Br2 Cl O2 -","- C120 H88 Br16 Cl8 O16 -","8","1","LH5331","Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Khaleel, V. Musthafa; Narayana, B.","2,3-Dibromo-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)propan-1-one","Acta Crystallographica Section E","2011","67","10","o2651","o2652","10.1107/S1600536811036798","","","0.71073","MoKα","","0.0724","0.0372","","","0.1077","0.1219","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231984","14.211","0.006","14.997","0.007","16.19","0.007","94.207","0.004","112.449","0.004","97.986","0.004","3128","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[1,3-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide monosolvate","","- C59 H63 Cd N15 O17 -","- C59 H63 Cd N15 O17 -","- C118 H126 Cd2 N30 O34 -","2","1","LH5332","Wu, Huilu; Kou, Fan; Jia, Fei; Liu, Bin; Yuan, Jingkun","Bis[1,3-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","10","m1461","","10.1107/S1600536811038712","","","0.71073","MoKα","","0.0506","0.0369","","","0.0911","0.1061","","","","","","0.851","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231985","15.2116","0.0002","12.1422","0.0002","8.3497","0.0001","90","","90","","90","","1542.21","0.04","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Amino-4,6-dimethoxypyrimidin-1-ium <i>p</i>-toluenesulfonate","","- C13 H17 N3 O5 S -","- C13 H17 N3 O5 S -","- C52 H68 N12 O20 S4 -","4","1","LH5333","Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas","2-Amino-4,6-dimethoxypyrimidin-1-ium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2011","67","10","o2679","o2680","10.1107/S160053681103755X","","","0.71073","MoKα","","0.0476","0.0354","","","0.0908","0.0979","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231986","17.905","0.004","7.2458","0.0014","15.732","0.003","90","","94.84","0.03","90","","2033.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(4-Dimethylamino-2-methyl-5-phenylfuran-3-yl)methyl]diethylmethylazanium iodide","","- C19 H29 I N2 O -","- C19 H29 I N2 O -","- C76 H116 I4 N8 O4 -","4","1","LH5334","Ayvazyan, Armen","[(4-Dimethylamino-2-methyl-5-phenylfuran-3-yl)methyl]diethylmethylazanium iodide","Acta Crystallographica Section E","2011","67","10","o2693","","10.1107/S1600536811037743","","","0.71073","MoKα","","0.0509","0.0324","","","0.0722","0.0806","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231987","12.3117","0.0014","13.8016","0.0015","19.312","0.002","90","","99.665","0.002","90","","3234.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(1-Benzyl-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl)-3-phenylprop-2- en-1-one","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C152 H136 N24 O8 -","8","2","LH5335","Fun, Hoong-Kun; Hemamalini, Madhukar; Shanmugavelan, Poovan; Ponnuswamy, Alagusundaram; Jagatheesan, Rathinavel","(<i>E</i>)-1-(1-Benzyl-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2011","67","10","o2707","","10.1107/S1600536811037871","","","0.71073","MoKα","","0.119","0.0587","","","0.1797","0.2185","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231988","14.3207","0.0013","5.2003","0.0005","19.5919","0.0018","90","","108.369","0.002","90","","1384.7","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","4-[2-(2-Methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>- pyrazole-1-carbothioamide","","- C12 H13 N5 O2 S -","- C12 H13 N5 O2 S -","- C48 H52 N20 O8 S4 -","4","1","LH5336","Fun, Hoong-Kun; Arshad, Suhana; Shetty, Shobhitha; Kalluraya, Balakrishna","4-[2-(2-Methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2011","67","10","o2711","","10.1107/S1600536811037883","","","0.71073","MoKα","","0.0817","0.0596","","","0.1644","0.1865","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231989","25.0899","0.0017","11.6075","0.0009","9.0806","0.0006","90","","99.516","0.001","90","","2608.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-[2-(4-Chlorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>- pyrazole-1-carbothioamide","","- C11 H10 Cl N5 O S -","- C11 H10 Cl N5 O S -","- C88 H80 Cl8 N40 O8 S8 -","8","1","LH5337","Fun, Hoong-Kun; Arshad, Suhana; Shetty, Shobhitha; Kalluraya, Balakrishna","4-[2-(4-Chlorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2011","67","10","o2740","","10.1107/S1600536811038463","","","0.71073","MoKα","","0.0471","0.0379","","","0.1096","0.1202","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231990","6.1409","0.0004","5.1952","0.0015","13.1844","0.0018","90","","95.118","0.012","90","","418.95","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-<i>O</i>-Acetyl-D-ribono-1,4-lactone","","- C7 H10 O6 -","- C7 H10 O6 -","- C14 H20 O12 -","2","1","LR2026","Bortoluzzi, Adailton J.; Sebrão, Damianni; Sá, Marcus M.; Nascimento, M. G.","5-<i>O</i>-Acetyl-<small>D</small>-ribono-1,4-lactone","Acta Crystallographica Section E","2011","67","10","o2778","","10.1107/S1600536811038670","","","0.71073","MoKα","","0.0741","0.0468","","","0.1234","0.1346","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231991","6.1247","0.0002","10.3063","0.0003","10.1141","0.0003","90","","100.312","0.002","90","","628.12","0.03","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Morpholine Hydrobromide","morpholinium bromide","","- C4 H10 Br N O -","- C4 H10 Br N O -","- C16 H40 Br4 N4 O4 -","4","1","LR2027","Padayachy, Kamentheren; Mgcima, Zolani; Fernandes, Manuel A.; Marques, Helder M.; de Sousa, Alvaro S.","Hydrogen-bond interactions in morpholinium bromide","Acta Crystallographica Section E","2011","67","10","o2594","","10.1107/S1600536811035598","","","0.71073","MoKα","","0.043","0.0388","","","0.0977","0.0995","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231992","5.5354","0.0004","8.0039","0.0004","35.8207","0.0017","90","","90","","90","","1587.03","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>)-4-(biphenyl-4-yl)-7-chloro-1,2,3,4-tetrahydroquinoline","","- C21 H18 Cl N -","- C21 H18 Cl N -","- C84 H72 Cl4 N4 -","4","1","LR2028","Theissmann, Thomas; Bolte, Michael","(4<i>R</i>)-4-(Biphenyl-4-yl)-7-chloro-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2011","67","10","o2747","","10.1107/S160053681103830X","","","0.71073","MoKα","","0.0327","0.03","","","0.0774","0.0787","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231993","7.8716","0.0008","12.2725","0.0012","17.21","0.0016","90","","90","","90","","1662.6","0.3","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11α,15α-Dihydroxyandrost-4-ene-3,17-dione","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","LW2070","Shen, Yan-Bing; Wang, Min; Liang, Qi-Kun; Luo, Jian-Mei","11α,15α-Dihydroxyandrost-4-ene-3,17-dione","Acta Crystallographica Section E","2011","67","10","o2752","","10.1107/S1600536811038608","","","0.71073","MoKα","","0.0416","0.0369","","","0.079","0.081","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231994","7.84","0.0016","10.464","0.002","10.514","0.002","63.84","0.03","79.62","0.03","89.42","0.03","759.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","8-Thia-1,6-diazabicyclo[4.3.0]nonane-7,9-dione","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C24 H32 N8 O8 S4 -","4","2","LX2196","Xi, Bin-bin; Shi, Lu; Huang, Hai; Wang, Qin; Zhu, Hong-Jun","8-Thia-1,6-diazabicyclo[4.3.0]nonane-7,9-dione","Acta Crystallographica Section E","2011","67","10","o2771","","10.1107/S1600536811038785","","","0.71073","MoKα","","0.0663","0.044","","","0.1114","0.1252","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231995","8.677","0.0009","10.0816","0.0011","11.6293","0.0012","90","","95.747","0.002","90","","1012.2","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Amino-4-hydroxy-4-trifluoromethyl-3,4-dihydroquinolin-2(1<i>H</i>)-one","","- C10 H9 F3 N2 O2 -","- C10 H9 F3 N2 O2 -","- C40 H36 F12 N8 O8 -","4","1","MW2019","Qin, Yuan; Xi, Haitao; Chen, Liang; Sun, Xiaoqiang","7-Amino-4-hydroxy-4-trifluoromethyl-3,4-dihydroquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","10","o2616","","10.1107/S1600536811035471","","","0.71073","MoKα","","0.0465","0.0396","","","0.1074","0.1116","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231996","10.1306","0.0015","27.673","0.004","20.201","0.003","90","","94.61","0.004","90","","5644.9","1.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>trans</i>-Carbonylchloridobis[tris(naphthalen-1-yl)phosphane- κ<i>P</i>]rhodium(I) acetone trisolvate","","- C70 H60 Cl O4 P2 Rh -","- C70 H60 Cl O4 P2 Rh -","- C280 H240 Cl4 O16 P8 Rh4 -","4","1","MW2021","Meijboom, Reinout","<i>trans</i>-Carbonylchloridobis[tris(naphthalen-1-yl)phosphane-κ<i>P</i>]rhodium(I) acetone trisolvate","Acta Crystallographica Section E","2011","67","10","m1438","","10.1107/S1600536811038505","","","0.71073","MoKα","","0.0616","0.0464","","","","0.0976","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231997","35.538","0.007","8.555","0.0017","17.072","0.003","90","","105.21","0.03","90","","5008.5","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-{(1<i>Z</i>)-1-[6-(4-Chlorophenoxy)hexyloxy]-1-(2,4-difluorophenyl)prop- 1-en-2-yl}-1<i>H</i>-1,2,4-triazol-4-ium nitrate","","- C23 H25 Cl F2 N4 O5 -","- C23 H25 Cl F2 N4 O5 -","- C184 H200 Cl8 F16 N32 O40 -","8","1","NC2240","Wan, Wen-qian; Wang, Kai; Hu, Yong-hong; Shen, Fei; Yang, Wen-ge","1-{(1<i>Z</i>)-1-[6-(4-Chlorophenoxy)hexyloxy]-1-(2,4-difluorophenyl)prop-1-en-2-yl}-1<i>H</i>-1,2,4-triazol-4-ium nitrate","Acta Crystallographica Section E","2011","67","10","o2617","","10.1107/S1600536811034933","","","0.71073","MoKα","","0.163","0.064","","","0.1384","0.1764","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231998","6.229","0.0005","6.6327","0.0005","8.6831","0.0007","108.931","0.007","103.499","0.007","96.969","0.006","322.3","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Diaquadichloridobis(pyridine-κ<i>N</i>)manganese(II)","","- C10 H14 Cl2 Mn N2 O2 -","- C10 H14 Cl2 Mn N2 O2 -","- C10 H14 Cl2 Mn N2 O2 -","1","0.5","NG5215","Karthikeyan, M.; Karthikeyan, S.; Manimaran, Bala.","Diaquadichloridobis(pyridine-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2011","67","10","m1367","","10.1107/S160053681103546X","","","0.71073","MoKα","","0.0238","0.0216","","","0.0548","0.0556","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231999","16.2019","0.0018","7.624","0.0009","14.7368","0.0018","90","","97.007","0.003","90","","1806.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-ylidene}- 2-cyano-<i>N</i>-(2-methylphenyl)acetamide","","- C19 H18 Cl N5 O -","- C19 H18 Cl N5 O -","- C76 H72 Cl4 N20 O4 -","4","1","NG5220","Wu, Jian","(<i>E</i>)-2-{1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-ylidene}-2-cyano-<i>N</i>-(2-methylphenyl)acetamide","Acta Crystallographica Section E","2011","67","10","o2697","","10.1107/S1600536811037524","","","0.71073","MoKα","","0.0668","0.0486","","","0.1292","0.1387","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232000","10.7094","0.0007","19.9917","0.0006","16.7885","0.0019","90","","121.552","0.007","90","","3063","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bromidotetrakis(2-isopropyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) bromide","","- C24 H40 Br2 Cu N8 -","- C24 H40 Br2 Cu N8 -","- C96 H160 Br8 Cu4 N32 -","4","1","NG5221","Godlewska, Sylwia; Socha, Joanna; Baranowska, Katarzyna; Dołega, Anna","Bromidotetrakis(2-isopropyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) bromide","Acta Crystallographica Section E","2011","67","10","m1338","","10.1107/S1600536811035215","","","0.71073","MoKα","","0.0423","0.0333","","","0.0895","0.0917","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232001","4.7211","0.0005","11.4263","0.0013","13.3693","0.0015","90","","90","","90","","721.2","0.14","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3<i>Z</i>)-3-Hydrazinylideneindolin-2-one","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","NG5222","Ara Jamal, Rifat; Ashiq, Uzma; Yousuf, Sammer","(3<i>Z</i>)-3-Hydrazinylideneindolin-2-one","Acta Crystallographica Section E","2011","67","10","o2576","","10.1107/S1600536811035367","","","0.71073","MoKα","","0.0308","0.0296","","","0.0782","0.0792","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232002","10.833","0.002","10.968","0.002","16.095","0.003","90","","109.14","0.03","90","","1806.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis{[1,2-bis(pyridin-2-ylmethoxy)benzene- κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']chloridocadmium}","","- C36 H32 Cd2 Cl4 N4 O4 -","- C36 H32 Cd2 Cl4 N4 O4 -","- C72 H64 Cd4 Cl8 N8 O8 -","2","0.5","NG5223","Gao, Jin-Sheng; Yu, Ying-Hui; Liu, Ying; Hou, Guang-Feng","Di-μ-chlorido-bis{[1,2-bis(pyridin-2-ylmethoxy)benzene-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']chloridocadmium}","Acta Crystallographica Section E","2011","67","10","m1415","","10.1107/S1600536811037858","","","0.71073","MoKα","","0.0227","0.0194","","","0.047","0.048","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232003","16.491","0.004","15.403","0.004","17.719","0.004","90","","110.187","0.005","90","","4224.3","1.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomanganese(II)","","- C20 H16 I2 Mn N4 -","- C20 H16 I2 Mn N4 -","- C160 H128 I16 Mn8 N32 -","8","1","NG5226","Ha, Kwang","A second monoclinic polymorph of bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomanganese(II)","Acta Crystallographica Section E","2011","67","10","m1351","","10.1107/S1600536811036051","","","0.71073","MoKα","","0.1416","0.0494","","","0.0739","0.1009","","","","","","0.894","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232004","13.5513","0.0012","13.5513","","24.566","0.003","90","","90","","90","","4511.2","0.7","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","4-(6-Chloroimidazo[1,2-<i>b</i>]pyridazin-3-yl)benzonitrile","","- C13 H7 Cl N4 -","- C13 H7 Cl N4 -","- C208 H112 Cl16 N64 -","16","1","NG5227","Zhao, Yiliang; Ng, Clarissa K. L.","4-(6-Chloroimidazo[1,2-<i>b</i>]pyridazin-3-yl)benzonitrile","Acta Crystallographica Section E","2011","67","10","o2710","","10.1107/S1600536811037901","","","0.71073","MoKα","","0.072","0.0429","","","0.1236","0.1411","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232005","6.898","0.0014","8.9282","0.0018","11.427","0.002","73.76","0.03","86.8","0.03","84.21","0.03","671.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-<i>N</i>-methyl-5-nitro-<i>N</i>-phenylpyrimidin-4-amine","","- C11 H9 Cl N4 O2 -","- C11 H9 Cl N4 O2 -","- C22 H18 Cl2 N8 O4 -","2","1","NG5229","Shi, Fuqiang; Zhu, Li-Hong; Mu, Li; Zhang, Long; Li, Ya-Feng","6-Chloro-<i>N</i>-methyl-5-nitro-<i>N</i>-phenylpyrimidin-4-amine","Acta Crystallographica Section E","2011","67","10","o2689","","10.1107/S1600536811037664","","","0.71073","MoKα","","0.079","0.0492","","","0.1382","0.1539","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232006","9.0211","0.0012","9.2685","0.0012","10.7284","0.0014","81.174","0.002","66.699","0.001","68.368","0.001","765.81","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Bromophenyl)-3,4-dihydroisoquinolin-2-ium thiocyanate hemihydrate","","- C16 H14 Br N2 O0.5 S -","- C16 H14 Br N2 O0.5 S -","- C32 H28 Br2 N4 O S2 -","2","1","NG5230","Ma, Yanni; Cao, Fangjun; Zhu, Bin; Hu, Weigang; Zhou, Le","2-(4-Bromophenyl)-3,4-dihydroisoquinolin-2-ium thiocyanate hemihydrate","Acta Crystallographica Section E","2011","67","10","o2766","","10.1107/S1600536811038542","","","0.71073","MoKα","","0.0477","0.0344","","","0.0922","0.1","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232007","18.2217","0.0005","7.4666","0.0002","23.6916","0.0005","90","","122.685","0.001","90","","2712.93","0.12","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)nicotinohydrazide","","- C13 H9 Br Cl N3 O2 -","- C13 H9 Br Cl N3 O2 -","- C104 H72 Br8 Cl8 N24 O16 -","8","2","NG5231","Prabhu, M.; Parthipan, K.; Ramu, A.; Chakkaravarthi, G.; Rajagopal, G.","(<i>E</i>)-<i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)nicotinohydrazide","Acta Crystallographica Section E","2011","67","10","o2716","","10.1107/S1600536811038268","","","0.71073","MoKα","","0.1018","0.0474","","","0.1073","0.1253","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232008","5.548","0.0001","11.0716","0.0003","18.9641","0.0005","82.247","0.001","86.915","0.001","85.674","0.001","1149.81","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Benzyl 2-{4-[2-(4-chlorobenzoylamino)ethyl]phenoxy}-2-methylpropionate","","- C26 H26 Cl N O4 -","- C26 H26 Cl N O4 -","- C52 H52 Cl2 N2 O8 -","2","1","NG5234","Mustafa, Ghulam; Tasneem, Sania; Khan, Islam Ullah; Ashfaq, Muhammad; Arshad, Muhammad Nadeem","Benzyl 2-{4-[2-(4-chlorobenzoylamino)ethyl]phenoxy}-2-methylpropionate","Acta Crystallographica Section E","2011","67","10","o2803","","10.1107/S1600536811039249","","","0.71073","MoKα","","0.0651","0.0485","","","0.1262","0.1416","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232009","15.8047","0.0004","8.7762","0.0003","19.0108","0.0006","90","","96.353","0.002","90","","2620.7","0.14","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Di-<i>n</i>-propyl 4,4'-dihydroxy-3,3'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro -1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}dibenzoate","","- C29 H38 N2 O6 -","- C29 H38 N2 O6 -","- C116 H152 N8 O24 -","4","0.5","NK2109","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","Di-<i>n</i>-propyl 4,4'-dihydroxy-3,3'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}dibenzoate","Acta Crystallographica Section E","2011","67","10","o2627","o2628","10.1107/S1600536811036385","","","1.5418","CuKα","","0.0524","0.0394","","","0.0982","0.1049","","","","","","1.57","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232010","9.0053","0.0002","9.3655","0.0003","12.1793","0.0003","75.299","0.001","74.756","0.001","64.891","0.001","885.43","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-Methyl 3-(4-ethylphenyl)-2-{2-[(<i>E</i>)-(hydroxyimino)methyl] phenoxymethyl}acrylate","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C40 H42 N2 O8 -","2","1","NK2110","Govindan, E.; SakthiMurugesan, K.; Srinivasan, J.; Bakthadoss, M.; SubbiahPandi, A.","(<i>E</i>)-Methyl 3-(4-ethylphenyl)-2-{2-[(<i>E</i>)-(hydroxyimino)methyl]phenoxymethyl}acrylate","Acta Crystallographica Section E","2011","67","10","o2753","","10.1107/S1600536811038359","","","0.71073","MoKα","","0.0875","0.0532","","","0.1611","0.1885","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232011","11.9738","0.0005","12.023","0.0004","6.9571","0.0003","90","","105.401","0.004","90","","965.59","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rubidium 5-nitrosalicylate monohydrate","Poly[aqua(μ-2-hydroxy-5-nitrobenzoato- κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^)rubidium]","","- C7 H6 N O6 Rb -","- C7 H6 N O6 Rb -","- C28 H24 N4 O24 Rb4 -","4","1","NK2111","Smith, Graham; Wermuth, Urs D.; Williams, Michael L.","Poly[aqua(μ~3~-2-hydroxy-5-nitrobenzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^)rubidium]","Acta Crystallographica Section E","2011","67","10","m1400","","10.1107/S1600536811037561","","","0.71073","MoKα","","0.0587","0.0539","","","0.1762","0.1805","","","","","","1.167","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232012","5.2413","0.0011","26.45","0.006","12.429","0.003","90","","90.169","0.003","90","","1723.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,6-Dibromonaphthalene-2,7-diyl bis(trifluoromethanesulfonate)","","- C12 H4 Br2 F6 O6 S2 -","- C12 H4 Br2 F6 O6 S2 -","- C48 H16 Br8 F24 O24 S8 -","4","1","NK2112","Wu, Xiang-Xiang; Wan, Yan; Ng, Seik Weng","3,6-Dibromonaphthalene-2,7-diyl bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2011","67","10","o2698","","10.1107/S1600536811037755","","","0.71073","MoKα","","0.0488","0.0437","","","0.0916","0.0939","","","","","","1.157","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232013","8.9308","0.0009","13.8582","0.0014","8.5692","0.0008","90","","102.427","0.001","90","","1035.72","0.18","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(3,4-Dimethoxyphenyl)propan-1-one","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","NR2005","Yang, Biao; Han, Changri; Song, Xiaoping; Chen, Guangying; Song, Xinming","1-(3,4-Dimethoxyphenyl)propan-1-one","Acta Crystallographica Section E","2011","67","10","o2568","","10.1107/S1600536811035173","","","0.71073","MoKα","","0.0655","0.0412","","","0.1001","0.1222","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232014","5.859","0.0012","20.248","0.004","13.148","0.003","90","","92.568","0.002","90","","1558.2","0.6","129","2","129","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(2,4,6-Triisopropylphenyl)ethanone","","- C17 H26 O -","- C17 H26 O -","- C68 H104 O4 -","4","1","NR2011","Blair, Amber D.; Hendsbee, Arthur D.; Masuda, Jason D.","1-(2,4,6-Triisopropylphenyl)ethanone","Acta Crystallographica Section E","2011","67","10","o2731","","10.1107/S1600536811038293","","","0.71073","MoKα","","0.0606","0.0476","","","0.1104","0.1195","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232015","10.8202","0.0004","13.5186","0.0005","13.9844","0.0005","102.351","0.003","103.466","0.003","104.868","0.003","1839.43","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) trihydrate","","- C40 H34 Mn N6 O11 -","- C40 H34 Mn N6 O11 -","- C80 H68 Mn2 N12 O22 -","2","1","OM2447","Eshtiagh-Hosseini, Hossien; Mirzaei, Masoud; Eydizadeh, Ehsan; Yousefi, Zakieh; Molčanov, Krešimir","Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) trihydrate","Acta Crystallographica Section E","2011","67","10","m1411","m1412","10.1107/S1600536811036981","","","1.54184","CuKα","","","0.0377","","","","0.1141","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232016","11.4657","0.0002","25.796","0.0003","13.8366","0.0002","90","","120.687","0.001","90","","3519.37","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'; κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato- κ^2^<i>O</i>,<i>O</i>')holmium(III)]","","- C78 H70 Ho2 N4 O18 -","- C78 H70 Ho2 N4 O18 -","- C156 H140 Ho4 N8 O36 -","2","0.5","PK2341","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')holmium(III)]","Acta Crystallographica Section E","2011","67","10","m1401","","10.1107/S160053681103738X","","","0.71073","MoKα","","0.0597","0.0327","","","0.0563","0.062","","","","","","1.004","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2232017","10.756","0.0002","4.7855","0.0001","26.1838","0.0005","90","","91.024","0.002","90","","1347.54","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1-Benzofuran-2-yl)-2-(phenylsulfonyl)ethanone","","- C16 H12 O4 S -","- C16 H12 O4 S -","- C64 H48 O16 S4 -","4","1","PK2346","Abdel-Aziz, Hatem A.; Ng, Seik Weng; Tiekink, Edward R. T.","1-(1-Benzofuran-2-yl)-2-(phenylsulfonyl)ethanone","Acta Crystallographica Section E","2011","67","10","o2675","","10.1107/S1600536811037366","","","1.5418","CuKα","","0.0342","0.0324","","","0.0846","0.0861","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232018","39.2849","0.0014","7.3369","0.0003","19.5158","0.0007","90","","107.773","0.002","90","","5356.6","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-Diphenylmethyl-4-[3-(4-fluorobenzoyl)propyl]piperazine-1,4-diium dichloride monohydrate","","- C27 H33 Cl2 F N2 O2 -","- C27 H33 Cl2 F N2 O2 -","- C216 H264 Cl16 F8 N16 O16 -","8","1","PV2438","Wang, Jing; Wang, Yongli; Yang, Caiqin","1-Diphenylmethyl-4-[3-(4-fluorobenzoyl)propyl]piperazine-1,4-diium dichloride monohydrate","Acta Crystallographica Section E","2011","67","10","o2719","","10.1107/S1600536811037378","","","0.7107","MoKα","","0.0575","0.0464","","","0.1284","0.1379","","","","","","1.033","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2232019","11.6139","0.0008","8.5605","0.0005","14.4174","0.0009","90","","99.907","0.002","90","","1412.02","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one","","- C15 H13 Cl O3 S -","- C15 H13 Cl O3 S -","- C60 H52 Cl4 O12 S4 -","4","1","PV2439","Prabhu, A. N.; Jayarama, A.; Sankolli, Ravish; Guru Row, T. N.; Upadhyaya, V.","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","10","o2665","","10.1107/S1600536811037135","","","0.71073","MoKα","","0.0563","0.0379","","","0.0936","0.1017","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232020","7.958","0.0016","31.635","0.006","9.185","0.0018","90","","97.29","0.03","90","","2293.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-[(<i>Z</i>)-8-(4-Chlorophenoxy)-3-(2,4-difluorophenyl)-4-oxaocta- 2-en-2-yl]-1<i>H</i>-1,2,4-triazol-4-ium nitrate","","- C21 H21 Cl F2 N4 O5 -","- C21 H21 Cl F2 N4 O5 -","- C84 H84 Cl4 F8 N16 O20 -","4","1","PV2445","Chen, Jian-long; Wang, Kai; Shen, Yan; Ren, Li-li; Chen, Guo-guang","1-[(<i>Z</i>)-8-(4-Chlorophenoxy)-3-(2,4-difluorophenyl)-4-oxaocta-2-en-2-yl]-1<i>H</i>-1,2,4-triazol-4-ium nitrate","Acta Crystallographica Section E","2011","67","10","o2800","","10.1107/S1600536811038761","","","0.71073","MoKα","","0.1528","0.0662","","","0.1159","0.1403","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232021","5.6467","0.0004","10.3597","0.0006","11.1934","0.0006","86.43","0.005","89.177","0.005","83.763","0.005","649.63","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenyl)-2-(phenylsulfonyl)ethanone","","- C14 H11 Br O3 S -","- C14 H11 Br O3 S -","- C28 H22 Br2 O6 S2 -","2","1","PV2446","Abdel-Aziz, Hatem A.; Ng, Seik Weng; Tiekink, Edward R. T.","1-(4-Bromophenyl)-2-(phenylsulfonyl)ethanone","Acta Crystallographica Section E","2011","67","10","o2640","","10.1107/S1600536811036671","","","1.5418","CuKα","","0.0404","0.039","","","0.1059","0.1084","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232022","7.0399","0.0002","7.1714","0.0002","10.367","0.0003","90.267","0.001","98.997","0.001","110.358","0.001","483.67","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>'-(phenylsulfonyl)carbamimidic azide","1-azido-<i>N</i>'-(phenylsulfonyl)methanimidamide","","- C7 H7 N5 O2 S -","- C7 H7 N5 O2 S -","- C14 H14 N10 O4 S2 -","2","1","PV2447","Khan, Islam Ullah; Mahmood, Ayyaz; Arshad, Muhammad Nadeem; Shahzad, Sohail Anjum","1-Azido-<i>N</i>'-(phenylsulfonyl)methanimidamide","Acta Crystallographica Section E","2011","67","10","o2703","","10.1107/S1600536811037718","","","0.71073","MoKα","","0.0341","0.0315","","","0.0943","0.0973","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232023","10.7786","0.001","9.3152","0.0009","18.1211","0.0017","90","","92.324","0.001","90","","1817.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquabis{μ~2~-3,5-bis[(pyridin-4-yl)methylamino]\ benzoato}nickel] monohydrate]","","- C38 H40 N8 Ni O7 -","- C38 H40 N8 Ni O7 -","- C76 H80 N16 Ni2 O14 -","2","0.5","PV2448","Kuai, Hai-Wei; Cheng, Xiao-Chun","<i>catena</i>-Poly[[diaquabis{μ~2~-3,5-bis[(pyridin-4-yl)methylamino]benzoato}nickel] monohydrate]","Acta Crystallographica Section E","2011","67","10","m1458","m1459","10.1107/S1600536811038633","","","0.71073","MoKα","","0.0756","0.0425","","","0.0832","0.0938","","","","","","0.902","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232024","8.6031","0.0003","8.8247","0.0003","10.4609","0.0004","80.514","0.002","87.499","0.002","72.114","0.002","745.45","0.05","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","9-<i>p</i>-Tolyl-9<i>H</i>-carbazole-3-carbonitrile","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","PV2449","Ramathilagam, C.; Venkatesan, N.; Rajakumar, P.; Umarani, P. R.; Manivannan, V.","9-<i>p</i>-Tolyl-9<i>H</i>-carbazole-3-carbonitrile","Acta Crystallographica Section E","2011","67","10","o2796","","10.1107/S1600536811039286","","","0.71073","MoKα","","0.0617","0.0427","","","0.1098","0.1227","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232025","9.4139","0.0019","13.31","0.003","16.087","0.003","90","","103.1","0.03","90","","1963.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[tetra-μ~3~-acetato-hexa-μ~2~-acetato-diaqua-μ~2~-oxalato- tetralanthanum(III)] dihydrate]","","- C11 H19 La2 O14 -","- C11 H19 La2 O14 -","- C44 H76 La8 O56 -","4","1","QK2021","Di, Wen-Jing; Lan, Shao-Min; Zhang, Qun; Liang, Yun-Xiao","Poly[[tetra-μ~3~-acetato-hexa-μ~2~-acetatodiaqua-μ~2~-oxalato-tetralanthanum(III)] dihydrate]","Acta Crystallographica Section E","2011","67","10","m1436","m1437","10.1107/S1600536811038037","","","0.71073","MoKα","","0.0223","0.0192","","","0.0405","0.0418","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232026","11.405","0.002","12.949","0.003","18.132","0.004","104.19","0.03","101.13","0.03","108.96","0.03","2344.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido-1κ^2^<i>Cl</i>,2κ<i>Cl</i>-(2,6-dimethylphenolato-2κ<i>O</i>)- μ-oxido-bis{1,2(η^5^)-2,3,4,5-tetramethyl-1-[4- (trimethylsilyl)phenyl]cyclopentadienyl}dititanium(IV)","","- C44 H59 Cl3 O2 Si2 Ti2 -","- C44 H59 Cl3 O2 Si2 Ti2 -","- C88 H118 Cl6 O4 Si4 Ti4 -","2","1","QM2025","Luo, Xuyang; Wu, Qiaolin; Mu, Ying","Trichlorido-1κ^2^<i>Cl</i>,2κ<i>Cl</i>-(2,6-dimethylphenolato-2κ<i>O</i>)-μ-oxido-bis{1,2(η^5^)-2,3,4,5-tetramethyl-1-[4-(trimethylsilyl)phenyl]cyclopentadienyl}dititanium(IV)","Acta Crystallographica Section E","2011","67","10","m1355","","10.1107/S1600536811035306","","","0.71073","MoKα","","0.1022","0.0571","","","0.1521","0.1875","","","","","","1.053","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2232027","8.1","0.0004","8.8622","0.0005","10.6898","0.0006","84.023","0.003","81.514","0.003","72.378","0.003","721.9","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Chlorophenylsulfonyl)-2,5-dimethyl-1-benzofuran","","- C16 H13 Cl O3 S -","- C16 H13 Cl O3 S -","- C32 H26 Cl2 O6 S2 -","2","1","QM2026","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-(3-Chlorophenylsulfonyl)-2,5-dimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","10","o2578","","10.1107/S1600536811035720","","","0.71073","MoKα","","0.0509","0.0402","","","0.1041","0.11","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232028","10.6571","0.0004","17.2432","0.0006","10.8602","0.0004","90","","113.571","0.002","90","","1829.19","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(4-Bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-one","","- C21 H17 Br Cl N O -","- C21 H17 Br Cl N O -","- C84 H68 Br4 Cl4 N4 O4 -","4","1","QM2027","Pourayoubi, Mehrdad; Shobeiri, Zohreh; Bruno, Giuseppe; Amiri Rudbari, Hadi","3-(4-Bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2011","67","10","o2647","","10.1107/S1600536811036932","","","0.71073","MoKα","","0.0437","0.0329","","","0.0761","0.0835","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232029","6.4916","0.0003","12.8242","0.0007","16.7122","0.0008","90","","96.258","0.003","90","","1382.99","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Hydroxy-2<i>H</i>-1,3-benzodioxole-5-carbaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C64 H48 O32 -","8","2","QM2028","Momin, Mehbub I. K.; Koorbanally, Neil; Ramjugernath, Deresh; Bala, Muhammad D.","6-Hydroxy-2<i>H</i>-1,3-benzodioxole-5-carbaldehyde","Acta Crystallographica Section E","2011","67","10","o2681","","10.1107/S1600536811037019","","","0.71073","MoKα","","0.1125","0.0454","","","0.0985","0.125","","","","","","0.942","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232030","11.1223","0.0002","12.018","0.0003","16.0461","0.0005","90","","90","","90","","2144.85","0.09","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>fac</i>-(2-Amidoethyl-κ^2^<i>C</i>^1^,<i>O</i>)trichlorido- (urea-κ<i>O</i>)tin(IV)","","- C4 H10 Cl3 N3 O2 Sn -","- C4 H10 Cl3 N3 O2 Sn -","- C32 H80 Cl24 N24 O16 Sn8 -","8","1","QM2029","Howie, R. Alan; de Lima, Geraldo M.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","<i>fac</i>-(2-Amidoethyl-κ^2^<i>C</i>^1^,<i>O</i>)trichlorido(urea-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2011","67","10","m1420","m1421","10.1107/S1600536811038281","","","0.71073","MoKα","","0.0258","0.0222","","","0.0483","0.0505","","","","","","1.103","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232031","15.023","0.003","13.86","0.003","24.856","0.004","90","","102.192","0.002","90","","5058.8","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)- 1<i>H</i>-indole-3-carbohydrazide","","- C18 H16 Br N3 O3 -","- C18 H16 Br N3 O3 -","- C216 H192 Br12 N36 O36 -","12","3","QM2030","Li, Xiao-Yan","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-1<i>H</i>-indole-3-carbohydrazide","Acta Crystallographica Section E","2011","67","10","o2815","","10.1107/S1600536811039195","","","0.71073","MoKα","","0.1606","0.0507","","","0.0905","0.1252","","","","","","0.97","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2232032","23.3474","0.0007","23.3474","0.0007","12.8536","0.0007","90","","90","","90","","7006.5","0.5","295","2","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2-Methyl-3-{2-nitro-1-[2-(prop-2-yn-1-yloxy)phenyl]ethyl}-1<i>H</i>-indole","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C320 H288 N32 O48 -","16","1","RK2291","Narayanan, P.; Sethusankar, K.; Ramachandiran, K.; Perumal, P. T.","2-Methyl-3-{2-nitro-1-[2-(prop-2-yn-1-yloxy)phenyl]ethyl}-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","10","o2658","","10.1107/S1600536811036907","","","0.71073","MoKα","","0.0809","0.0491","","","0.1219","0.1487","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232033","11.8148","0.0007","19.1072","0.0011","18.5668","0.0013","90","","104.732","0.004","90","","4053.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Dichloridobis{[4-(dimethylamino)phenyl]diphenylphosphane- κ<i>P</i>}platinum(II) ethyl acetate monosolvate","","- C44 H48 Cl2 N2 O2 P2 Pt -","- C44 H48 Cl2 N2 O2 P2 Pt -","- C176 H192 Cl8 N8 O8 P8 Pt4 -","4","1","RK2293","Muller, Alfred; Meijboom, Reinout","<i>cis</i>-Dichloridobis{[4-(dimethylamino)phenyl]diphenylphosphane-κ<i>P</i>}platinum(II) ethyl acetate monosolvate","Acta Crystallographica Section E","2011","67","10","m1353","","10.1107/S1600536811035628","","","0.71073","MoKα","","0.1277","0.058","","","","0.1443","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232034","17.8151","0.0007","4.987","0.0002","18.8418","0.0008","90","","97.834","0.002","90","","1658.36","0.12","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-Methyl 3-(2,4-dichlorophenyl)-2-[(2-formylphenoxy)methyl]acrylate","","- C18 H14 Cl2 O4 -","- C18 H14 Cl2 O4 -","- C72 H56 Cl8 O16 -","4","1","RK2294","Gangadharan, Rajeswari; Sethusankar, K.; Selvakumar, Raman; Bakthadoss, Manickam","(<i>Z</i>)-Methyl 3-(2,4-dichlorophenyl)-2-[(2-formylphenoxy)methyl]acrylate","Acta Crystallographica Section E","2011","67","10","o2738","","10.1107/S1600536811037925","","","0.71073","MoKα","","0.0866","0.0508","","","0.1246","0.1494","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232035","9.014","0.004","10.242","0.004","9.289","0.004","90","","108.194","0.004","90","","814.7","0.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","3,4,4a,5,6,7,9,9a-Octahydro-4a-hydroxyl-9-(4-hydroxyphenyl)-1<i>H</i>- xanthene-1,8(2<i>H</i>)-dione","4a-Hydroxy-9-(4-hydroxyphenyl)-4,4a,5,6,9,9a-hexahydro-3<i>H</i>-xanthene- 1,8(2<i>H</i>,7<i>H</i>)-dione","","- C19 H20 O5 -","- C19 H20 O5 -","- C38 H40 O10 -","2","1","RK2296","Wang, Liying; Lu, Weicheng; Yang, Yan; Zhu, Yulin","4a-Hydroxy-9-(4-hydroxyphenyl)-4,4a,5,6,9,9a-hexahydro-3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","10","o2751","","10.1107/S1600536811038335","","","0.71073","MoKα","","0.0485","0.042","","","0.1069","0.1126","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232036","10.591","0.005","16.733","0.006","9.671","0.005","90","","102.316","0.005","90","","1674.4","1.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(1<i>E</i>)-4-Diethylamino-2-hydroxybenzylidene]benzohydrazide","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","RK2298","Prabhu, M.; Meenakshi, C.; Chakkaravarthi, G.; Rajagopal, G.","<i>N</i>'-[(1<i>E</i>)-4-Diethylamino-2-hydroxybenzidene]benzohydrazide","Acta Crystallographica Section E","2011","67","10","o2633","","10.1107/S160053681103652X","","","0.71073","MoKα","","0.1083","0.0716","","","0.1767","0.2031","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232037","8.6876","0.0017","12.912","0.002","14.851","0.003","90","","105.55","0.003","90","","1604.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","dichlorotricarbonyl[bis(4-methylthiazol-2-yl)methane]tungsten(II)","[Bis(4-methyl-1,3-thiazol-2-yl- κ<i>N</i>)methane]tricarbonyldichloridotungsten(II)","","- C12 H10 Cl2 N2 O3 S2 W -","- C12 H10 Cl2 N2 O3 S2 W -","- C48 H40 Cl8 N8 O12 S8 W4 -","4","1","RK2300","Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.","[Bis(4-methyl-1,3-thiazol-2-yl-κ<i>N</i>)methane]tricarbonyldichloridotungsten(II)","Acta Crystallographica Section E","2011","67","10","m1460","","10.1107/S1600536811038104","","","0.71073","MoKα","","0.0508","0.0418","","","0.0955","0.0992","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232038","15.0592","0.0007","7.6768","0.0003","16.9274","0.0008","90","","106.137","0.002","90","","1879.81","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2-Benzoylphenyl)(2-methoxy-1-naphthyl)methanone","","- C25 H18 O3 -","- C25 H18 O3 -","- C100 H72 O12 -","4","1","RK2301","Jagadeesan, G.; Sethusankar, K.; Sivasakthikumaran, R.; Mohanakrishnan, Arasambattu K.","(2-Benzoylphenyl)(2-methoxy-1-naphthyl)methanone","Acta Crystallographica Section E","2011","67","10","o2737","","10.1107/S1600536811038049","","","0.71073","MoKα","","0.0774","0.0455","","","0.1182","0.142","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232039","13.9773","0.0009","13.8623","0.0009","20.045","0.0014","90","","110.383","0.01","90","","3640.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetra-<i>n</i>-butylammonium bromide","","- C16 H36 Br N -","- C16 H36 Br N -","- C128 H288 Br8 N8 -","8","1","RN2089","Elsegood, Mark R. J.","Tetra-<i>n</i>-butylammonium bromide: a redetermination at 150K addressing the merohedral twinning","Acta Crystallographica Section E","2011","67","10","o2599","","10.1107/S1600536811032612","","","0.71073","MoKα","","0.0406","0.0283","","","0.0678","0.0728","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232040","29.2734","0.0018","10.2321","0.0006","17.5643","0.0011","90","","106.483","0.001","90","","5044.8","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Hydroxydiphenylphosphane)chloridogold(I)","","- C12 H11 Au Cl O P -","- C12 H11 Au Cl O P -","- C192 H176 Au16 Cl16 O16 P16 -","16","2","RU2011","Sithole, Sicelo V.; Staples, Richard J.; Van Zyl, Werner E.","A second polymorph of chlorido(hydroxydiphenylphosphane)gold(I)","Acta Crystallographica Section E","2011","67","10","m1328","m1329","10.1107/S1600536811035732","","","0.71073","MoKα","","0.0233","0.0194","","","0.0463","0.0479","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232041","10.092","0.003","13.588","0.004","12.287","0.004","90","","102.961","0.006","90","","1642","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)cobalt(II) dihydrate","","- C12 H18 Co N4 O8 -","- C12 H18 Co N4 O8 -","- C48 H72 Co4 N16 O32 -","4","1","RU2012","Shi, Qi-Ying; Zhang, Guo-Chun; Zhou, Chun-Sheng; Yang, Qi","Diaquabis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)cobalt(II) dihydrate","Acta Crystallographica Section E","2011","67","10","m1430","","10.1107/S1600536811038591","","","0.71073","MoKα","","0.0457","0.031","","","0.071","0.0746","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232042","7.0242","0.0006","8.1388","0.0006","8.7118","0.0005","86.536","0.006","66.806","0.007","74.374","0.007","440.28","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis[diacetonitrilechloridooxidovanadium(IV)]","","- C8 H12 Cl4 N4 O2 V2 -","- C8 H12 Cl4 N4 O2 V2 -","- C8 H12 Cl4 N4 O2 V2 -","1","0.5","RU2013","Dastych, Dalibor; Rotter, Pavel; Demo, Gabriel; Dastychová, Lenka","Di-μ-chlorido-bis[diacetonitrilechloridooxidovanadium(IV)]","Acta Crystallographica Section E","2011","67","10","m1398","","10.1107/S1600536811037184","","","0.7107","MoKα","","0.0335","0.0314","","","0.1025","0.1031","","","","","","1.248","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232043","7.5612","0.0007","9.2236","0.001","11.7298","0.0013","99.038","0.006","106.595","0.006","91.314","0.006","772.26","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- B10 H6 K2 O19 -","- B10 H6 K2 O19 -","- B20 H12 K4 O38 -","2","1","RU2014","Gao, Yi-Hong","Potassium decaborate monohydrate","Acta Crystallographica Section E","2011","67","10","i57","","10.1107/S1600536811039109","","","0.71073","MoKα","","0.0763","0.0453","","","0.0989","0.1129","","","","","","1.004","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232044","15.817","0.003","29.768","0.006","11.372","0.002","90","","91.03","0.03","90","","5353.5","1.8","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato- κ^2^<i>O</i>,<i>O</i>')samarium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","","- C24 H72 Ag N14 O10 P4 S4 Sm W -","- C24 H72 Ag N14 O10 P4 S4 Sm W -","- C96 H288 Ag4 N56 O40 P16 S16 Sm4 W4 -","4","1","RZ2631","Zhang, Jinfang","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')samarium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","Acta Crystallographica Section E","2011","67","10","m1365","","10.1107/S1600536811035574","","","0.71073","MoKα","","0.0347","0.0314","","","0.0743","0.0775","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232045","16.618","0.003","11.455","0.002","18.993","0.004","90","","114.01","0.03","90","","3302.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[5-methoxy-2-\ (naphth[1,2-<i>d</i>][1,3]oxazol-2-yl)phenyl-κ^2^<i>C</i>^1^,\ <i>N</i>]iridium(III)","","- C41 H31 Ir N2 O6 -","- C41 H31 Ir N2 O6 -","- C164 H124 Ir4 N8 O24 -","4","1","RZ2632","Li, Song; Yin, Guo-Jie; Wang, Shi-Min; Zhou, Yuan-Yuan","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[5-methoxy-2-(naphth[1,2-<i>d</i>][1,3]oxazol-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2011","67","10","m1343","","10.1107/S1600536811035690","","","0.71073","MoKα","","0.0439","0.0387","","","0.0893","0.0927","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232046","7.1565","0.0018","11.394","0.003","14.332","0.004","96.414","0.005","99.066","0.006","94.085","0.006","1142.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1,2-Bis(N'-4-methylbenzoylthioureido)benzene","1-(4-Methylbenzoyl)-3-{2-[3-(4-methylbenzoyl)thioureido]phenyl}thiourea","","- C24 H22 N4 O2 S2 -","- C24 H22 N4 O2 S2 -","- C48 H44 N8 O4 S4 -","2","1","RZ2633","Osman, Uwaisulqarni M.; Yamin, Bohari M.","1-(4-Methylbenzoyl)-3-{2-[3-(4-methylbenzoyl)thioureido]phenyl}thiourea","Acta Crystallographica Section E","2011","67","10","o2583","","10.1107/S1600536811035586","","","0.71073","MoKα","","0.1128","0.0637","","","0.125","0.1426","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232047","19.5823","0.0019","5.6386","0.0008","28.45","0.003","90","","94.912","0.009","90","","3129.8","0.6","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>,4<i>E</i>)-<i>N</i>-Benzyl-2-cyano-5-phenylpenta-2,4-dienamide","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C152 H128 N16 O8 -","8","1","RZ2635","Li, Xin-Li","(2<i>E</i>,4<i>E</i>)-<i>N</i>-Benzyl-2-cyano-5-phenylpenta-2,4-dienamide","Acta Crystallographica Section E","2011","67","10","o2622","","10.1107/S1600536811036397","","","1.54184","CuKα","","0.0761","0.0473","","","0.1112","0.1369","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232048","19.292","0.003","10.1211","0.001","20.953","0.003","90","","91.824","0.011","90","","4089.1","1","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquachloridobis(2-ethoxy-6-formylphenolato- κ^2^<i>O</i>^1^,<i>O</i>^6^)chromium(III) acetonitrile hemisolvate","","- C19 H21.5 Cl Cr N0.5 O7 -","- C19 H21.5 Cl Cr N0.5 O7 -","- C152 H172 Cl8 Cr8 N4 O56 -","8","1","RZ2636","Ghelenji, Safoora; Kargar, Hadi; Sharafi, Zahra; Kia, Reza","Aquachloridobis(2-ethoxy-6-formylphenolato-κ^2^<i>O</i>^1^,<i>O</i>^6^)chromium(III) acetonitrile hemisolvate","Acta Crystallographica Section E","2011","67","10","m1393","","10.1107/S1600536811037275","","","0.71073","MoKα","","0.1399","0.0508","","","0.0639","0.0784","","","","","","0.801","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232049","7.4763","0.0018","25.742","0.006","7.6564","0.0019","90","","110.485","0.005","90","","1380.3","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(3-Nitrophenyl)ethanone (2-methylphenyl)hydrazone","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","RZ2637","Zeb, A.; Yousuf, S.","(<i>E</i>)-1-(3-Nitrophenyl)ethanone (2-methylphenyl)hydrazone","Acta Crystallographica Section E","2011","67","10","o2801","","10.1107/S1600536811037846","","","0.71073","MoKα","","0.0836","0.0602","","","0.1527","0.1758","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232050","6.9982","0.0003","8.2887","0.0004","8.5353","0.0004","63.931","0.002","83.209","0.003","85.057","0.003","441.28","0.04","296","","296","","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-6-methyl-1,3,5-triazin-1-ium tetrafluoroborate","","- C4 H8 B F4 N5 -","- C4 H8 B F4 N5 -","- C8 H16 B2 F8 N10 -","2","1","RZ2638","Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium tetrafluoroborate","Acta Crystallographica Section E","2011","67","10","o2762","","10.1107/S1600536811038797","","","0.71073","MoKα","","0.0737","0.0656","","","0.1921","0.2025","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232051","12.458","0.001","13.7528","0.0011","19.3128","0.0015","90","","100.183","0.002","90","","3256.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(1-Benzyl-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one","","- C19 H16 F N3 O -","- C19 H16 F N3 O -","- C152 H128 F8 N24 O8 -","8","2","RZ2639","Fun, Hoong-Kun; Hemamalini, Madhukar; Shanmugavelan, Poovan; Ponnuswamy, Alagusundaram; Jagatheesan, Rathinavel","(<i>E</i>)-1-(1-Benzyl-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","10","o2776","","10.1107/S1600536811038943","","","0.71073","MoKα","","0.1152","0.0487","","","0.1243","0.1577","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232052","13.2901","0.0002","9.636","0.0001","9.9152","0.0001","90","","102.855","0.001","90","","1237.95","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-2-(furan-2-yl)-1,3-thiazolidin-4-one","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","RZ2640","Fun, Hoong-Kun; Hemamalini, Madhukar; Shanmugavelan, Poovan; Ponnuswamy, Alagusundaram; Jagatheesan, Rathinavel","3-Benzyl-2-(furan-2-yl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","10","o2807","o2808","10.1107/S1600536811039432","","","0.71073","MoKα","","0.0659","0.0458","","","0.0885","0.1042","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232053","31.563","0.002","44.508","0.003","3.9504","0.0003","90","","90","","90","","5549.5","0.7","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","(2<i>E</i>)-1-(pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","(2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C272 H272 N16 O64 -","16","1","RZ2642","Fun, Hoong-Kun; Chantrapromma, Suchada; Suwunwong, Thitipone","(2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","10","o2789","o2790","10.1107/S1600536811039110","","","0.71073","MoKα","","0.0578","0.0431","","","0.0959","0.1046","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232054","14.365","0.003","10.709","0.002","7.5709","0.0015","90","","91.45","0.03","90","","1164.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetato) iron(II)","","- C18 H20 Fe N6 O10 S2 -","- C18 H20 Fe N6 O10 S2 -","- C36 H40 Fe2 N12 O20 S4 -","2","0.5","SI2366","Wang, Hai-Rong; Li, Guo-Ting","Tetraaquabis(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetato)iron(II)","Acta Crystallographica Section E","2011","67","10","m1457","","10.1107/S1600536811038918","","","0.71073","MoKα","","0.039","0.0364","","","0.0768","0.0783","","","","","","1.131","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2232055","7.3454","0.0005","10.7319","0.0008","15.0196","0.0011","102.518","0.006","103.648","0.006","94.892","0.006","1111.54","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4,4'-bipyridine‒3-(thiophen-3-yl)acrylic acid (1/2)","","- C24 H20 N2 O4 S2 -","- C24 H20 N2 O4 S2 -","- C48 H40 N4 O8 S4 -","2","1","SI2368","Rajakannu, Palanisamy; Hussain, Firasat; Sathiyendiran, Malaichamy","4,4'-Bipyridine‒3-(thiophen-3-yl)acrylic acid (1/2)","Acta Crystallographica Section E","2011","67","10","o2595","","10.1107/S1600536811035823","","","1.54184","CuKα","","0.0556","0.0447","","","0.1219","0.1315","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232056","36.8219","0.0015","15.9526","0.0007","25.9325","0.0009","90","","90","","90","","15232.9","1.1","296","1","296","1","","","","","","","","4","F d d 2","F 2 -2d","43","","3-<i>tert</i>-Butyl-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate","","- C20 H23 Cl O4 -","- C20 H23 Cl O4 -","- C640 H736 Cl32 O128 -","32","2","SI2372","Wang, Zong-cheng; Cheng, Jing-li; Zhao, Jin-hao; Yu, Feng","3-<i>tert</i>-Butyl-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate","Acta Crystallographica Section E","2011","67","10","o2804","","10.1107/S1600536811034684","","","0.71073","MoKα","","0.0841","0.0348","","","0.0731","0.0947","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232057","7.179","0.0014","13.49","0.003","10.129","0.002","90","","99.11","0.03","90","","968.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Poly{bis-2-[(1<i>H</i>-1,2,4-triazol-1-yl) methyl]-1<i>H</i>-imidazole-4,5-dicarboxylato iron(II)}","<i>catena</i>-Poly[iron(II)-bis{μ-5-carboxy-2-[(1<i>H</i>-1,2,4-triazol-1- yl)methyl]-1<i>H</i>-imidazole-4-carboxylato}]","","- C16 H12 Fe N10 O8 -","- C16 H12 Fe N10 O8 -","- C32 H24 Fe2 N20 O16 -","2","0.5","SU2292","Tong, Yan; Wang, Hui-Jie","<i>catena</i>-Poly[iron(II)-bis{μ-5-carboxy-2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-imidazole-4-carboxylato}]","Acta Crystallographica Section E","2011","67","10","m1462","m1463","10.1107/S1600536811036026","","","0.71073","MoKα","","0.028","0.0271","","","0.0726","0.0734","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232058","17.9119","0.0006","9.7744","0.0003","13.3835","0.0004","90","","90","","90","","2343.16","0.13","296","2","296","2","","","","","","","","6","P n n 2","P 2 -2n","34","","Bis(triphenylphosphanylidene)iminium dichloridotriphenylstannate(IV)","","- C54 H45 Cl2 N P2 Sn -","- C54 H45 Cl2 N P2 Sn -","- C108 H90 Cl4 N2 P4 Sn2 -","2","0.5","SU2296","De Lorentiis, Lucio; Graiff, Claudia; Predieri, Giovanni","Bis(triphenylphosphanylidene)iminium dichloridotriphenylstannate(IV)","Acta Crystallographica Section E","2011","67","10","m1356","","10.1107/S1600536811035422","","","0.71073","MoKα","","0.0305","0.0253","","","0.0623","0.0648","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232059","5.0598","0.0003","14.7702","0.0011","35.026","0.002","90","","90","","90","","2617.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Aminophenyl)-4-methylbenzenesulfonamide","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C104 H112 N16 O16 S8 -","8","2","SU2300","Rehman, Jeveria; Ejaz; Khan, Islam Ullah; Harrison, William T. A.","<i>N</i>-(4-Aminophenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","10","o2709","","10.1107/S1600536811036191","","","0.71073","MoKα","","0.1358","0.0579","","","0.0988","0.1222","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232060","6.7013","0.0003","15.8951","0.0007","17.3891","0.0007","90","","93.181","0.004","90","","1849.4","0.14","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Caloxanthone C","5,10-Dihydroxy-2,2-dimethyl-12-(2-methylbut-3-en- 2-yl)pyrano[3,2-<i>b</i>]xanthen-6(2<i>H</i>)-one","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","1","SU2302","Ee, Gwendoline Cheng Lian; Mah, Siau Hui; Kwong, Huey Chong; Teh, Soek Sin; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik","Caloxanthone C: a pyranoxanthone from the stem bark of <i>Calophyllum soulattri</i>","Acta Crystallographica Section E","2011","67","10","o2607","o2608","10.1107/S1600536811036294","","","1.54184","CuKα","","0.0615","0.056","","0.17","0.1659","0.17","","","","","","1.0011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232061","11.6467","0.0003","16.5474","0.0004","15.7584","0.0003","90","","90","","90","","3037","0.12","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(triphenylphosphanylidene)ammonium hydrogen dichloride","","- C36 H31 Cl2 N P2 -","- C36 H31 Cl2 N P2 -","- C144 H124 Cl8 N4 P8 -","4","0.5","SU2304","Gellhaar, Jorit; Knapp, Carsten","Bis(triphenyl-λ^5^-phosphanylidene)ammonium hydrogen dichloride","Acta Crystallographica Section E","2011","67","10","o2546","","10.1107/S1600536811035057","","","0.71073","MoKα","","0.0377","0.0327","","","0.0821","0.0851","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232062","20.387","0.004","9","0.0016","9.8355","0.0017","90","","94.32","0.002","90","","1799.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Dimethylamino-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide","","- C16 H15 I2 N3 O2 -","- C16 H15 I2 N3 O2 -","- C64 H60 I8 N12 O8 -","4","1","SU2309","Mao, Fu-Lin; Li, Wen-Sheng; Zhou, Xiao-Ping","4-Dimethylamino-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","10","o2547","","10.1107/S1600536811035070","","","0.71073","MoKα","","0.0749","0.0424","","","0.0834","0.0943","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232063","7.589","0.003","16.104","0.006","18.256","0.006","74.739","0.006","86.435","0.006","88.619","0.006","2148.2","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole- κ<i>N</i>^3^]diaquacobalt(II) bis(3-carboxy-5-nitrobenzoate)","","- C40 H32 Co N14 O14 -","- C40 H32 Co N14 O14 -","- C80 H64 Co2 N28 O28 -","2","1","SU2310","Wang, Xi; Shao, Chun-Fu; Li, Cheng-Peng","<i>trans</i>-Bis[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^3^]diaquacobalt(II) bis(3-carboxy-5-nitrobenzoate)","Acta Crystallographica Section E","2011","67","10","m1344","m1345","10.1107/S1600536811035446","","","0.71073","MoKα","","0.0602","0.0392","","","0.0868","0.0976","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232064","8.449","0.0002","12.8352","0.0002","14.6752","0.0004","106.577","0.0012","90.4341","0.0009","99.7915","0.0012","1500.43","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tri-μ-chloridobis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrachloridoferrate(III)","","- C24 H36 Cl7 Fe Ru2 -","- C24 H36 Cl7 Fe Ru2 -","- C48 H72 Cl14 Fe2 Ru4 -","2","1","SU2311","Štěpnička, Petr; Schulz, Jiří; Císařová, Ivana","Tri-μ-chlorido-bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrachloridoferrate(III)","Acta Crystallographica Section E","2011","67","10","m1363","m1364","10.1107/S160053681103621X","","","0.71073","MoKα","","0.0306","0.0255","","","0.0579","0.0607","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232065","7.7407","0.0004","9.1005","0.0004","10.5035","0.0005","84.84","0.003","80.929","0.003","88.086","0.003","727.56","0.06","91","2","91","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 5-hydroxy-6-oxo-4-phenyl-5,6-dihydro-4<i>H</i>- cyclopenta[<i>b</i>]thiophene-5-carboxylate","","- C16 H14 O4 S -","- C16 H14 O4 S -","- C32 H28 O8 S2 -","2","1","SU2314","McAdam, C. John; Moratti, Stephen C.; Simpson, Jim; Shi, Zheng","Ethyl 5-hydroxy-6-oxo-4-phenyl-5,6-dihydro-4<i>H</i>-cyclopenta[<i>b</i>]thiophene-5-carboxylate","Acta Crystallographica Section E","2011","67","10","o2764","o2765","10.1107/S1600536811037032","","","0.71073","MoKα","","0.0391","0.032","","","0.0751","0.0791","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232066","12.2266","0.0019","14.212","0.003","15.805","0.002","107.507","0.003","108.475","0.003","95.885","0.003","2424","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-[(1<i>E</i>)-(2-hydroxynaphthalen-1-yl)methylidene]-2-\ methoxybenzohydrazide","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C114 H96 N12 O18 -","6","3","SU2316","Li, Xiao-Yan","<i>N</i>'-[(1<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylidene]-2-methoxybenzohydrazide","Acta Crystallographica Section E","2011","67","10","o2713","","10.1107/S1600536811038153","","","0.71073","MoKα","","0.2108","0.0607","","","0.1252","0.1841","","","","","","0.935","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232067","9.1561","0.0009","20.6965","0.0016","28.482","0.002","90","","90","","90","","5397.3","0.8","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{5,5'-Bis(diethylamino)-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","","- C27 H38 Mo N4 O4 -","- C27 H38 Mo N4 O4 -","- C216 H304 Mo8 N32 O32 -","8","1","TK2784","Kargar, Hadi; Kia, Reza","{5,5'-Bis(diethylamino)-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","Acta Crystallographica Section E","2011","67","10","m1348","","10.1107/S1600536811035069","","","0.71073","MoKα","","0.1191","0.0412","","","0.0701","0.0853","","","","","","0.804","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232068","6.812","0.0006","8.7659","0.0007","12.1393","0.001","90","","97.009","0.003","90","","719.46","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-Hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)urea","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","TK2785","Choi, Hyeong; Shim, Yong Suk; Lee, Sung Chun; Kang, Sung Kwon; Sung, Chang Keun","1-(2-Hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)urea","Acta Crystallographica Section E","2011","67","10","o2632","","10.1107/S1600536811036464","","","0.71073","MoKα","","0.0646","0.0603","","","","0.1655","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232069","9.8858","0.0003","13.2737","0.0005","13.6121","0.0008","113.961","0.003","98.153","0.003","107.778","0.002","1480.02","0.13","89","2","89","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-[1-(1-Benzothiophen-2-yl)ethylidene]- <i>N</i>-phenylhydrazinecarboxamide","","- C17 H15 N3 O S -","- C17 H15 N3 O S -","- C68 H60 N12 O4 S4 -","4","2","TK2786","Kayed, Safa'a Faris; Farina, Yang; Simpson, Jim; Baba, Ibrahim","(<i>E</i>)-2-[1-(1-Benzothiophen-2-yl)ethylidene]-<i>N</i>-phenylhydrazinecarboxamide","Acta Crystallographica Section E","2011","67","10","o2687","o2688","10.1107/S1600536811037457","","","0.71073","MoKα","","0.0905","0.054","","","0.1279","0.1465","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232070","6.456","0.005","6.551","0.005","10.8","0.005","93.12","0.005","105.95","0.005","108.46","0.005","411.5","0.5","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","1,4-Bis(1,1-dimethylpropyl)-2,5-dimethoxybenzene","","- C18 H30 O2 -","- C18 H30 O2 -","- C18 H30 O2 -","1","0.5","TK2787","Amimoto, Kiichi","1,4-Bis(1,1-dimethylpropyl)-2,5-dimethoxybenzene","Acta Crystallographica Section E","2011","67","10","o2708","","10.1107/S160053681103772X","","","0.71069","MoKα","","0.0459","0.0419","","","","0.1139","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232071","28.0966","0.0002","28.0966","0.0002","16.0265","0.0002","90","","90","","120","","10956.6","0.18","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","10,21-dimethyl-2,7,13,18-tetraphenyl-3,6,14,17- tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8(24),9,11,13,17,19,21- decaene-23,24-diol cyclohexane 0.33-solvate","","- C48 H44 N4 O2 -","- C48 H44 N4 O2 -","- C432 H396 N36 O18 -","9","0.5","TK2788","Asatkar, Ashish K.; Verma, Vinay K.; Jain, Tripti A.; Singh, Rajendra; Gupta, Sushil K.; Butcher, Ray J.","10,21-Dimethyl-2,7,13,18-tetraphenyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8(24),9,11,13,17,19,21-decaene-23,24-diol cyclohexane 0.33-solvate","Acta Crystallographica Section E","2011","67","10","o2724","o2725","10.1107/S1600536811036622","","","0.71073","MoKα","","0.0852","0.0631","","","0.2023","0.2215","","","","","","0.933","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2232072","7.7177","0.0002","11.0539","0.0005","14.7236","0.0005","91.26","0.003","103.992","0.003","106.357","0.003","1163.99","0.08","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-[4-(2-Chlorophenyl)but-3-en-2-ylidene]malononitrile","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C52 H36 Cl4 N8 -","4","2","TK2789","Kang, Tai-Ran","(<i>E</i>)-2-[4-(2-Chlorophenyl)but-3-en-2-ylidene]malononitrile","Acta Crystallographica Section E","2011","67","10","o2661","","10.1107/S1600536811037159","","","1.54184","CuKα","","0.0514","0.0482","","","0.1367","0.1403","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232073","7.7087","0.0001","8.405","0.0001","11.238","0.0001","82.401","0.001","75.57","0.001","67.842","0.001","652.486","0.014","100","","100","","","","","","","","","3","P -1","-P 1","2","","(2,4-Dihydroxy-6-methoxyphenyl)(3,5-dihydroxyphenyl)methanone monohydrate","","- C14 H14 O7 -","- C14 H14 O7 -","- C28 H28 O14 -","2","1","TK2790","Nargis, Jamila; Wong, Keng-Chong; Khairuddin, Melati; Chantrapromma, Suchada; Fun, Hoong-Kun","(2,4-Dihydroxy-6-methoxyphenyl)(3,5-dihydroxyphenyl)methanone monohydrate","Acta Crystallographica Section E","2011","67","10","o2717","o2718","10.1107/S1600536811037913","","","0.71073","MoKα","","0.0573","0.0516","","","0.1278","0.1311","","","","","","1.171","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232074","7.0327","0.0014","7.6488","0.0015","36.939","0.007","90","","91.315","0.005","90","","1986.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(5-Bromopyridin-3-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridine- 5-ylsulfonyl)thiophen-2-yl]-1,3,4-oxadiazole","","- C18 H13 Br N4 O3 S3 -","- C18 H13 Br N4 O3 S3 -","- C72 H52 Br4 N16 O12 S12 -","4","1","TK2791","Fun, Hoong-Kun; Hemamalini, Madhukar; Rai, Sankappa; Isloor, A. M.; Shetty, Prakash","2-(5-Bromopyridin-3-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridine-5-ylsulfonyl)thiophen-2-yl]-1,3,4-oxadiazole","Acta Crystallographica Section E","2011","67","10","o2743","o2744","10.1107/S1600536811038529","","","0.71073","MoKα","","0.0991","0.0459","","","0.1043","0.1232","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232075","7.9108","0.0001","12.0943","0.0001","12.9498","0.0002","69.253","0.001","76.794","0.001","77.46","0.001","1115.3","0.03","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","2-(Biphenyl-4-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridine- 5-ylsulfonyl)thiophen-2-yl]-1,3,4-oxadiazole","","- C25 H19 N3 O3 S3 -","- C25 H19 N3 O3 S3 -","- C50 H38 N6 O6 S6 -","2","1","TK2792","Fun, Hoong-Kun; Hemamalini, Madhukar; Rai, Sankappa; Isloor, A. M.; Shetty, Prakash","2-(Biphenyl-4-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridine-5-ylsulfonyl)thiophen-2-yl]-1,3,4-oxadiazole","Acta Crystallographica Section E","2011","67","10","o2781","o2782","10.1107/S1600536811038621","","","0.71073","MoKα","","0.0928","0.0529","","","0.106","0.1216","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232076","8.894","0.005","9.711","0.005","16.461","0.009","90","","94.429","0.011","90","","1417.5","1.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^1^,<i>N</i>^2^)platinum(II)","","- C14 H10 Cl2 N4 Pt -","- C14 H10 Cl2 N4 Pt -","- C56 H40 Cl8 N16 Pt4 -","4","1","TK2794","Ha, Kwang","Dichlorido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^1^,<i>N</i>^2^)platinum(II)","Acta Crystallographica Section E","2011","67","10","m1454","","10.1107/S1600536811038906","","","0.71073","MoKα","","0.0365","0.0238","","","0.0489","0.0555","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232077","11.618","0.003","11.618","0.003","17.761","0.004","90","","90","","90","","2397.3","1","290","2","290","2","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","2,4-Dibromo-6-<i>tert</i>-butylbenzene-1,3-diol","","- C10 H12 Br2 O2 -","- C10 H12 Br2 O2 -","- C80 H96 Br16 O16 -","8","1","VM2103","Wang, Xia; Niu, Jun-long; Zhi, Cai-xia","2,4-Dibromo-6-<i>tert</i>-butylbenzene-1,3-diol","Acta Crystallographica Section E","2011","67","10","o2618","","10.1107/S1600536811034866","","","0.71073","MoKα","","0.1122","0.0493","","","0.051","0.059","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232078","11.541","0.003","7.908","0.002","8.798","0.002","90","","102.55","0.02","90","","783.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C34 H34 Cl2 N4 O4 -","2","0.5","VM2112","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide","Acta Crystallographica Section E","2011","67","10","o2579","","10.1107/S1600536811035616","","","0.71073","MoKα","","0.1813","0.1046","","","0.1404","0.1641","","","","","","1.281","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232079","13.602","0.003","7.235","0.0014","16.786","0.003","90","","104.32","0.03","90","","1600.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4,6-Diamino-1,3-phenylene)bis(phenylmethanone)","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","VM2115","Tian, Da-Min; Xu, Hui","(4,6-Diamino-1,3-phenylene)bis(phenylmethanone)","Acta Crystallographica Section E","2011","67","10","o2619","","10.1107/S1600536811032752","","","0.71073","MoKα","","0.0838","0.0519","","","0.1372","0.1591","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232080","19.5224","0.0014","3.7316","0.0003","18.4103","0.0014","90","","116.087","0.001","90","","1204.56","0.16","173","0.1","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(guanidinium) chloranilate","Bis(guanidinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)","","- C8 H12 Cl2 N6 O4 -","- C8 H12 Cl2 N6 O4 -","- C32 H48 Cl8 N24 O16 -","4","0.5","VM2118","Udachin, Konstantin A.; Zaman, Md. Badruz; Ripmeester, John A.","Bis(guanidinium) chloranilate","Acta Crystallographica Section E","2011","67","10","o2625","","10.1107/S1600536811036373","","","0.7107","MoKα","","0.0293","0.0263","","","0.0757","0.0779","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232081","13.016","0.005","14.617","0.005","4.037","0.005","90","","90","","90","","768.1","1","180.6","","180.6","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-Bromo-4-methyl-2-nitrobenzene","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","VM2119","Li, Ping; Wang, Hai; Zhang, XiMan; Chen, HongYu","1-Bromo-4-methyl-2-nitrobenzene","Acta Crystallographica Section E","2011","67","10","o2641","","10.1107/S1600536811036439","","","0.71073","MoKα","","0.0671","0.0529","","","0.1243","0.1313","","","","","","1.186","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232082","6.4587","0.0013","7.0719","0.0014","14.688","0.003","78.6","0.03","78.77","0.03","89.5","0.03","644.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Ethylimidazolium terephthalate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C26 H28 N4 O8 -","2","1","VM2120","Zhu, Run-Qiang; Yu, Chun-Hua","2-Ethylimidazolium terephthalate","Acta Crystallographica Section E","2011","67","10","o2746","","10.1107/S1600536811038578","","","0.71073","MoKα","","0.0803","0.0603","","","0.1593","0.1713","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232083","11.997","0.002","7.2959","0.0015","9.1453","0.0018","90","","96","0.03","90","","796.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-diium naphthalene-1,5-disulfonate","","- C14 H18 N2 O6 S2 -","- C14 H18 N2 O6 S2 -","- C28 H36 N4 O12 S4 -","2","0.5","VM2121","Wei, Bin","Piperazine-1,4-diium naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2011","67","10","o2811","","10.1107/S1600536811038955","","","0.71073","MoKα","","0.0396","0.0342","","","0.085","0.0875","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232084","26.087","0.003","5.9585","0.0008","7.8146","0.001","90","","90","","90","","1214.7","0.3","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","7<i>H</i>-1-Benzofuro[2,3-<i>b</i>]carbazole","","- C18 H11 N O -","- C18 H11 N O -","- C72 H44 N4 O4 -","4","1","VM2122","Panchatcharam, R.; Dhayalan, V.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.","7<i>H</i>-1-Benzofuro[2,3-<i>b</i>]carbazole","Acta Crystallographica Section E","2011","67","10","o2797","","10.1107/S1600536811039018","","","0.71073","MoKα","","0.0411","0.0333","","","0.0798","0.0842","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232085","7.146","0.0014","10.553","0.002","11.849","0.002","74.76","0.03","88.84","0.03","82.66","0.03","855","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[μ~2~-aqua-diaquabis(μ~4~-pyridazine-3,6-dicarboxylato) tetralithium] monohydrate]","","- C12 H12 Li4 N4 O12 -","- C12 H12 Li4 N4 O12 -","- C24 H24 Li8 N8 O24 -","2","1","VM2123","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[μ~2~-aqua-diaquabis(μ~4~-pyridazine-3,6-dicarboxylato)tetralithium] monohydrate]","Acta Crystallographica Section E","2011","67","10","m1455","m1456","10.1107/S1600536811038992","","","0.71073","MoKα","","0.0699","0.0451","","","0.1276","0.1422","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232086","11.2237","0.0001","15.1606","0.0002","7.8752","0.0001","90","","108.45","0.0008","90","","1271.15","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-3,5-dimethyl-1λ^6^,2-thiazine-1,1-dione","","- C12 H12 Cl N O2 S -","- C12 H12 Cl N O2 S -","- C48 H48 Cl4 N4 O8 S4 -","4","1","VM2124","Braim, Rostam R.; Aziz Ketuly, Kamal; A. Hadi, A. Hamid; Khaledi, Hamid","2-(4-Chlorophenyl)-3,5-dimethyl-1λ^6^,2-thiazine-1,1-dione","Acta Crystallographica Section E","2011","67","10","o2775","","10.1107/S1600536811038852","","","0.71073","MoKα","","0.0351","0.0302","","","0.0768","0.0803","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232087","6.8694","0.0002","13.286","0.0004","8.3541","0.0003","90","","91.375","0.001","90","","762.23","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Disodium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate","","- C2 H16 Co Na2 O16 P4 -","- C2 H16 Co Na2 O16 P4 -","- C4 H32 Co2 Na4 O32 P8 -","2","0.5","WM2520","van der Merwe, Kina; Visser, Hendrik G.; Venter, Johan A.","Disodium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate","Acta Crystallographica Section E","2011","67","10","m1468","m1469","10.1107/S1600536811038530","","","0.71073","MoKα","","","0.0192","","","","0.0554","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232088","10.4535","0.0017","11.4306","0.0018","12.221","0.002","84.93","0.003","86.308","0.003","64.092","0.002","1307.8","0.4","184.5","0.2","184.5","0.2","","","","","","","","5","P -1","-P 1","2","","[(<i>E</i>)-10-(2,6-Dimethylphenylimino)-9-methyl-9,10-dihydrophenanthren-9- olato]pentamethyldialuminum(III)","","- C28 H35 Al2 N O -","- C28 H35 Al2 N O -","- C56 H70 Al4 N2 O2 -","2","1","WM2522","Gao, Bo; Su, Qing; Gao, Wei; Mu, Ying","[(<i>E</i>)-10-(2,6-Dimethylphenylimino)-9-methyl-9,10-dihydrophenanthren-9-olato]pentamethyldialuminum(III)","Acta Crystallographica Section E","2011","67","10","m1374","","10.1107/S1600536811036312","","","0.71073","MoKα","","0.0838","0.0542","","","0.1301","0.1497","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232089","14.7385","0.0016","18.552","0.002","14.2504","0.0015","90","","90","","90","","3896.5","0.7","168","2","168","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-Acetato-aqua-μ-(5-bromo-2-{1,3-bis[2-(5-bromo-2- oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)methanoldinickel(II) methanol disolvate monohydrate","","- C32 H43 Br3 N4 Ni2 O10 -","- C32 H43 Br3 N4 Ni2 O10 -","- C128 H172 Br12 N16 Ni8 O40 -","4","1","WM2523","Khan, Ahmed Raza; Tesema, Yohannes; Butcher, Ray J.; Gultneh, Yilma","μ-Acetato-aqua-μ-(5-bromo-2-{1,3-bis[2-(5-bromo-2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)methanoldinickel(II) methanol disolvate monohydrate","Acta Crystallographica Section E","2011","67","10","m1381","m1382","10.1107/S1600536811035409","","","0.71073","MoKα","","0.0658","0.0408","","","0.0825","0.0919","","","","","","0.961","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232090","11.4876","0.0002","25.8305","0.0004","13.8715","0.0002","90","","120.554","0.001","90","","3544.58","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ~2~-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';\ κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-\ phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-\ κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]","","- C78 H70 Gd2 N4 O18 -","- C78 H70 Gd2 N4 O18 -","- C156 H140 Gd4 N8 O36 -","2","0.5","WM2524","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Tetrakis(μ~2~-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]","Acta Crystallographica Section E","2011","67","10","m1357","","10.1107/S1600536811036130","","","0.71073","MoKα","","0.0234","0.0205","","","0.0421","0.0431","","","","","","1.149","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232091","11.5474","0.0002","25.9919","0.0004","13.9632","0.0002","90","","119.961","0.0001","90","","3630.85","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ~2~-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';\ κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-\ phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-\ κ^2^<i>O</i>,<i>O</i>')lanthanum(III)]","","- C78 H70 La2 N4 O18 -","- C78 H70 La2 N4 O18 -","- C156 H140 La4 N8 O36 -","2","0.5","WM2525","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Tetrakis(μ~2~-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)]","Acta Crystallographica Section E","2011","67","10","m1358","","10.1107/S1600536811036117","","","0.71073","MoKα","","0.0287","0.0216","","","0.0471","0.0498","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232092","4.8858","0.0003","5.1605","0.0004","13.3651","0.0009","93.725","0.006","99.734","0.006","104.245","0.006","319.9","0.04","200","","200","2","","","","","","","","5","P 1","P 1","1","Palladium di(hydrogen L-glutamate)","Bis(hydrogen L-glutamato)palladium(II)","","- C10 H16 N2 O8 Pd -","- C10 H16 N2 O8 Pd -","- C10 H16 N2 O8 Pd -","1","1","WM2526","Seifert, Antje; Wagner, Christoph; Merzweiler, Kurt","Bis(hydrogen <small>L</small>-glutamato)palladium(II)","Acta Crystallographica Section E","2011","67","10","m1362","","10.1107/S1600536811035860","","","0.71073","MoKα","","0.0298","0.0292","","","0.066","0.0663","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232093","11.5137","0.0002","25.9311","0.0006","13.962","0.0003","90","","120.149","0.001","90","","3604.63","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ~2~-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';\ κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-\ phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-\ κ^2^<i>O</i>,<i>O</i>')cerium(III)]","","- C78 H70 Ce2 N4 O18 -","- C78 H70 Ce2 N4 O18 -","- C156 H140 Ce4 N8 O36 -","2","0.5","WM2527","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Tetrakis(μ~2~-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')cerium(III)]","Acta Crystallographica Section E","2011","67","10","m1359","m1360","10.1107/S1600536811036129","","","0.71073","MoKα","","0.0406","0.0318","","","0.0572","0.0599","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232094","11.3577","0.0004","12.2091","0.0005","14.1438","0.0006","99.111","0.002","91.089","0.002","114.32","0.002","1756.94","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ~2~-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')ytterbium(III)]","","- C78 H70 N4 O18 Yb2 -","- C78 H70 N4 O18 Yb2 -","- C78 H70 N4 O18 Yb2 -","1","0.5","WM2528","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Bis(μ~2~-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')ytterbium(III)]","Acta Crystallographica Section E","2011","67","10","m1361","","10.1107/S1600536811036105","","","0.71073","MoKα","","0.0414","0.0299","","","0.0629","0.0662","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232095","24.943","0.003","14.4343","0.0018","29.688","0.004","90","","101.19","0.003","90","","10486","2","90","2","90","2","","","","","","","","5","P 1 c 1","P -2yc","7","(<i>N</i>,<i>N</i>'-<i>o</i>-Phenylenebis(pyridine-2-carboxamidato)) (dimethylaminopyridine) (nitrosyl)manganese(II) heptakis ethanol solvate hydrate","octakis{[4-(dimethylamino)pyridine](nitrosyl)[<i>N</i>,<i>N</i>'-(<i>o</i>- phenylene)bis(pyridine-2-carboxamidato)]manganese(II)} ethanol heptasolvate 3.5-hydrate","","- C26.75 H28.12 Mn N7 O4.31 -","- C26.75 H27.25 Mn N7 O4.3125 -","- C428 H436 Mn16 N112 O69 -","16","8","WM2529","Olmstead, Marilyn M.; Eroy-Reveles, A. Alegra; Mascharak, Pradip K.","[Mn(bpb)(DMAP)(NO)], an {Mn‒NO}^6^ nitrosyl with <i>Z</i>' = 8","Acta Crystallographica Section E","2011","67","10","m1451","m1452","10.1107/S1600536811038669","","","0.71073","MoKα","","0.2135","0.0679","","","0.1206","0.1514","","","","","","0.637","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232096","9.978","0.002","16.059","0.003","28.509","0.005","90","","101.582","0.001","90","","4475.2","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(5,7-dimethylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)hafnium(IV) dimethylformamide disolvate","","- C50 H54 Hf N6 O6 -","- C50 H54 Hf N6 O6 -","- C200 H216 Hf4 N24 O24 -","4","1","WM2534","Viljoen, J. Augustinus; Visser, Hendrik G.; Roodt, Andreas","Tetrakis(5,7-dimethylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)hafnium(IV) dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","10","m1428","m1429","10.1107/S1600536811038311","","","0.71073","MoKα","","0.0418","0.0288","","","","0.0657","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232097","10.5675","0.0008","19.7014","0.0009","10.4207","0.0007","90","","118.479","0.009","90","","1907","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-dihydropyrazine","2-(2-Chlorophenyl)-3-methyl-5,6-diphenyl-2,3-dihydropyrazine","","- C23 H19 Cl N2 -","- C23 H19 Cl N2 -","- C92 H76 Cl4 N8 -","4","1","WN2451","Anuradha, N.; Chitra, S.; Thiruvalluvar, A.; Pandiarajan, K.; Butcher, R. J.; Jasinski, J. P.; Golen, J. A.","2-(2-Chlorophenyl)-3-methyl-5,6-diphenyl-2,3-dihydropyrazine","Acta Crystallographica Section E","2011","67","10","o2598","","10.1107/S1600536811036336","","","1.54184","CuKα","","0.0618","0.0515","","","0.1405","0.1501","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232098","5.53418","0.00008","18.7308","0.0003","5.5157","0.00008","90","","95.2195","0.0014","90","","569.385","0.015","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","7-Aminoheptylazanium iodide","7-Aminoheptylazanium iodide","","- C7 H19 I N2 -","- C7 H19 I N2 -","- C14 H38 I2 N4 -","2","1","WN2452","Reiss, Guido J.","7-Aminoheptylazanium iodide","Acta Crystallographica Section E","2011","67","10","o2684","o2685","10.1107/S1600536811037329","","","0.71073","MoKα","","0.0174","0.0173","","","0.0392","0.0393","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232099","7.6504","0.0002","12.4989","0.0003","12.7787","0.0003","90","","98.375","0.002","90","","1208.89","0.05","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-[1-(4-Fluorophenyl)pent-1-en-3-ylidene]malononitrile","","- C14 H11 F N2 -","- C14 H11 F N2 -","- C56 H44 F4 N8 -","4","1","XU5286","Kang, Tai-Ran","(<i>E</i>)-2-[1-(4-Fluorophenyl)pent-1-en-3-ylidene]malononitrile","Acta Crystallographica Section E","2011","67","10","o2582","","10.1107/S1600536811035884","","","1.54184","CuKα","","0.0435","0.0406","","","0.1136","0.1173","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232100","26.8587","0.0007","8.8158","0.0002","11.2035","0.0003","90","","90","","90","","2652.78","0.12","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3-Amino-1-methyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C17 H13 N3 -","- C17 H13 N3 -","- C136 H104 N24 -","8","2","XU5310","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng","3-Amino-1-methyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2011","67","10","o2569","","10.1107/S1600536811035008","","","1.54184","CuKα","","0.038","0.034","","","0.0874","0.0911","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232101","11.4196","0.0013","12.0357","0.0014","17.886","0.002","91.008","0.001","103.204","0.001","106.648","0.001","2283.9","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(2,2'-bipyridine)bis(μ~3~-5-hydroxyisophthalato)(μ~2~- 5-hydroxyisophthalato)digadolinium(III)] trihydrate]","","- C44 H38 Gd2 N4 O20 -","- C44 H38 Gd2 N4 O20 -","- C88 H76 Gd4 N8 O40 -","2","1","XU5312","Zhang, Yan-Lin","Poly[[diaquabis(2,2'-bipyridine)bis(μ~3~-5-hydroxyisophthalato)(μ~2~-5-hydroxyisophthalato)digadolinium(III)] trihydrate]","Acta Crystallographica Section E","2011","67","10","m1368","m1369","10.1107/S1600536811035999","","","0.71073","MoKα","","0.0411","0.0323","","","0.0704","0.0757","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232102","5.8457","0.0006","10.322","0.002","26.626","0.002","90","","92.322","0.009","90","","1605.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(Naphthalen-1-yl)-3-(1-phenyl-1<i>H</i>-pyrazol-4-yl)prop- 2-en-1-one","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","XU5313","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng","(<i>E</i>)-1-(Naphthalen-1-yl)-3-(1-phenyl-1<i>H</i>-pyrazol-4-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","10","o2550","","10.1107/S1600536811035124","","","0.71073","MoKα","","0.1008","0.0599","","","0.1275","0.1403","","","","","","0.959","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232103","9.101","0.001","12.2579","0.0014","15.9251","0.0017","90","","118.307","0.001","90","","1564.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxy-4-methyl-1-[1-(phenylsulfonyl)propan-2-yl]benzene","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C68 H80 O12 S4 -","4","1","XU5314","Shi, Bao-Jun; Ding, Li-Chun; Chen, Gang; Du, Zhen-Ting","2-Methoxy-4-methyl-1-[1-(phenylsulfonyl)propan-2-yl]benzene","Acta Crystallographica Section E","2011","67","10","o2589","","10.1107/S1600536811035987","","","0.71073","MoKα","","0.1072","0.0546","","","0.1369","0.1866","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232104","10.765","0.0002","13.0111","0.0003","16.5272","0.0004","90","","125.235","0.002","90","","1890.77","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-5- hydroxyisophthalato- κ^4^<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)cadmium]","","- C20 H16 Cd N2 O5 -","- C20 H16 Cd N2 O5 -","- C80 H64 Cd4 N8 O20 -","4","1","XU5315","Hu, Xi-Ying; Zhai, Wen-Hang; Ma, Ning; Yang, Guang-Rui","Poly[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-5-hydroxyisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)cadmium]","Acta Crystallographica Section E","2011","67","10","m1352","","10.1107/S1600536811035975","","","0.71073","MoKα","","0.0292","0.0244","","","0.0611","0.0633","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232105","8.6269","0.0019","10.5832","0.0017","14.323","0.002","97.271","0.018","102.199","0.006","104.489","0.008","1215.1","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","Poly[[aquatris(μ~4~-benzene-1,2-dicarboxylato)dilanthanum(III)] hemihydrate]","","- C48 H30 La4 O27 -","- C48 H30 La4 O27 -","- C48 H30 La4 O27 -","1","0.5","XU5316","Lush, Shie Fu; Shen, Fwu Ming","Poly[[aquatris(μ~4~-benzene-1,2-dicarboxylato)dilanthanum(III)] hemihydrate]","Acta Crystallographica Section E","2011","67","10","m1370","m1371","10.1107/S1600536811036282","","","0.71073","MoKα","","0.048","0.0366","","","0.0819","0.0865","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232106","14.083","0.003","6.3928","0.0013","9.922","0.002","90","","122.29","0.03","90","","755.1","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[(1<i>H</i>-Imidazol-2-yl)disulfanyl]-1<i>H</i>-imidazole","","- C6 H6 N4 S2 -","- C6 H6 N4 S2 -","- C24 H24 N16 S8 -","4","0.5","XU5318","Feizbakhsh Bazargani, Mona; Talavat, Laleh; Naderi, Soheila; Khavasi, Hamid Reza","2-[(1<i>H</i>-Imidazol-2-yl)disulfanyl]-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","10","o2585","","10.1107/S1600536811036014","","","0.71073","MoKα","","0.0569","0.0549","","","","0.1847","","","","","","1.176","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232107","9.7948","0.0001","10.9356","0.0002","22.324","0.0003","90","","90","","90","","2391.17","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Diethyl 4-methyl 5-(4-nitrophenyl)-4-phenylpyrrolidine-2,2,4-tricarboxylate","","- C24 H26 N2 O8 -","- C24 H26 N2 O8 -","- C96 H104 N8 O32 -","4","1","XU5319","He, Long","2,2-Diethyl 4-methyl 5-(4-nitrophenyl)-4-phenylpyrrolidine-2,2,4-tricarboxylate","Acta Crystallographica Section E","2011","67","10","o2593","","10.1107/S1600536811036038","","","1.54184","CuKα","","0.0258","0.0254","","","0.0676","0.0678","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232108","18.6304","0.0004","18.7399","0.0004","8.5209","0.0002","90","","90.229","0.002","90","","2974.89","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Chlorophenyl)-8-methyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C17 H15 Cl N2 O -","- C17 H15 Cl N2 O -","- C136 H120 Cl8 N16 O8 -","8","1","XU5320","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Badahdah, Khadija O.; Ng, Seik Weng","4-(4-Chlorophenyl)-8-methyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2011","67","10","o2596","","10.1107/S1600536811036142","","","1.54184","CuKα","","0.0703","0.0646","","","0.1811","0.1872","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232109","11.0699","0.0007","7.6018","0.0003","18.2247","0.0009","90","","100.505","0.006","90","","1507.92","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7- octahydroquinoline-3-carbonitrile","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C68 H68 Cl4 N8 O4 -","4","1","XU5321","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Badahdah, Khadija O.; Ng, Seik Weng","4-(4-Chlorophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2011","67","10","o2597","","10.1107/S1600536811036154","","","1.54184","CuKα","","0.1226","0.0785","","","0.2462","0.2729","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232110","6.728","0.0003","10.6406","0.0005","15.3127","0.0007","91.7293","0.0014","91.1313","0.0013","100.882","0.0013","1075.67","0.09","296","1","296","1","","","","","","","","6","P 1","P 1","1","","7-[(1<i>S</i>,6<i>S</i>)-8-aza-2-azoniabicyclo[4.3.0]non-8-yl]-1-cyclopropyl-6- fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid chloride monohydrate","","- C21 H27 Cl F N3 O5 -","- C21 H27 Cl F N3 O5 -","- C42 H54 Cl2 F2 N6 O10 -","2","2","XU5322","Qian, Jing-Jing; Gu, Jian-Ming; Shen, Jin; Hu, Xiu-Rong; Wu, Su-Xiang","Moxifloxacinium chloride monohydrate","Acta Crystallographica Section E","2011","67","10","o2773","o2774","10.1107/S160053681103707X","","","0.71073","MoKα","","0.0678","0.039","","","0.0895","0.1177","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232111","9.991","0.0009","18.91","0.0017","8.9747","0.0007","90","","90","","90","","1695.6","0.3","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(<i>R</i>~p~,<i>R</i>~p~)-Bis[(3-menthyloxy)(phenyl)phosphinoyl] disulfide","(<i>R</i>~P~,<i>R</i>~P~)-Bis[(2-isopropyl-5- methylcyclohexyloxy)(phenyl)phosphinoyl] disulfide","","- C32 H48 O4 P2 S2 -","- C32 H48 O4 P2 S2 -","- C64 H96 O8 P4 S4 -","2","0.5","XU5323","Xu, Zhong-Yuan; Zhao, Chang-Qiu","(<i>R</i>~P~,<i>R</i>~P~)-Bis[(3-menthyloxy)(phenyl)phosphinoyl] disulfide","Acta Crystallographica Section E","2011","67","10","o2802","","10.1107/S1600536811038165","","","0.71073","MoKα","","0.0627","0.0407","","","0.0736","0.0799","","","","","","0.908","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232112","9.175","0.002","8.686","0.002","9.574","0.002","90","","105.928","0.003","90","","733.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[<i>trans</i>-diaquabis[μ~2~-2-(pyridin-3-yl)acetato- κ^2^<i>N</i>,<i>O</i>]zinc]","","- C14 H16 N2 O6 Zn -","- C14 H16 N2 O6 Zn -","- C28 H32 N4 O12 Zn2 -","2","0.5","XU5324","Li, Yue-Hua; Du, Lin; Li, Zong-Ze; Zhao, Qi-Hua","Poly[<i>trans</i>-diaquabis[μ~2~-2-(pyridin-3-yl)acetato-κ^2^<i>N</i>:<i>O</i>]zinc]","Acta Crystallographica Section E","2011","67","10","m1441","m1442","10.1107/S1600536811038190","","","0.71073","MoKα","","0.0732","0.0423","","","0.0805","0.0977","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232113","12.306","0.003","7.8827","0.0016","18.883","0.004","90","","94.82","0.03","90","","1825.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloridobis[4-(1<i>H</i>-pyrazol-3-yl)pyridine-κ<i>N</i>^1^]zinc","","- C16 H14 Cl2 N6 Zn -","- C16 H14 Cl2 N6 Zn -","- C64 H56 Cl8 N24 Zn4 -","4","1","XU5325","Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Zhang, Cheng-Ming","Dichloridobis[4-(1<i>H</i>-pyrazol-3-yl)pyridine-κ<i>N</i>^1^]zinc","Acta Crystallographica Section E","2011","67","10","m1408","","10.1107/S1600536811037585","","","0.71073","MoKα","","0.144","0.08","","","0.1191","0.1381","","","","","","1.112","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232114","20.452","0.0004","12.5201","0.0002","15.8328","0.0002","90","","90","","90","","4054.16","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1,1,1-Trifluoro-4-(thiophen-2-yl)-4-[(2-{[4,4,4-trifluoro-3-oxo-1-(thiophen-2- yl)but-1-en-1-yl]amino}ethyl)amino]but-3-en-2-one","","- C18 H14 F6 N2 O2 S2 -","- C18 H14 F6 N2 O2 S2 -","- C144 H112 F48 N16 O16 S16 -","8","2","XU5326","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng","1,1,1-Trifluoro-4-(thiophen-2-yl)-4-[(2-{[4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-yl]amino}ethyl)amino]but-3-en-2-one","Acta Crystallographica Section E","2011","67","10","o2659","o2660","10.1107/S1600536811036889","","","0.71073","MoKα","","0.0538","0.0461","","","0.1143","0.1217","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232115","10.1457","0.0014","10.8728","0.0015","13.7552","0.0019","79.123","0.002","78.844","0.003","86.317","0.002","1461.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tetraaquatetrakis[μ~3~-5-(pyridine-4- carboxamido)isophthalato]cobalt(II)digadolinium(III)] tetrahydrate]","","- C56 H48 Co Gd2 N8 O28 -","- C56 H48 Co Gd2 N8 O28 -","- C56 H48 Co Gd2 N8 O28 -","1","0.5","XU5327","Deng, Yi-Fang; Chen, Man-Sheng; Zhang, Chun-Hua; Kuang, Dai-Zhi","Poly[[tetraaquatetrakis[μ~3~-5-(pyridine-4-carboxamido)isophthalato]cobalt(II)digadolinium(III)] tetrahydrate]","Acta Crystallographica Section E","2011","67","10","m1431","m1432","10.1107/S1600536811038074","","","0.71073","MoKα","","0.0356","0.0313","","","0.0688","0.0699","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232116","6.729","0.004","7.192","0.004","10.388","0.006","94.751","0.009","92.503","0.007","95.901","0.01","497.7","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Isopropyl 4-nitrobenzoate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","XU5329","Zou, Pei; Xie, Min-Hao; Wu, Hao; Liu, Ya-Ling; Chen, Zheng-Ping","Isopropyl 4-nitrobenzoate","Acta Crystallographica Section E","2011","67","10","o2806","","10.1107/S1600536811039407","","","0.71073","MoKα","","0.0667","0.0458","","","0.1309","0.1501","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232117","14.926","0.004","13.847","0.004","17.717","0.005","90","","96.919","0.004","90","","3635.1","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-phenylquinoline-4-carboxylato)bis[aqua(1,10-phenanthroline)(2- phenylquinoline-4-carboxylato)manganese(II)] dihydrate","","- C88 H64 Mn2 N8 O12 -","- C88 H64 Mn2 N8 O12 -","- C176 H128 Mn4 N16 O24 -","2","0.5","XU5330","Li, Wei-Wei; Bing, Yue; Zha, Mei-Qin; Li, Tian-Hua; Li, Xing","Bis(μ-2-phenylquinoline-4-carboxylato)bis[aqua(1,10-phenanthroline)(2-phenylquinoline-4-carboxylato)manganese(II)] dihydrate","Acta Crystallographica Section E","2011","67","10","m1464","m1465","10.1107/S1600536811039341","","","0.71073","MoKα","","0.0685","0.0394","","","0.0981","0.1126","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232118","7.9499","0.0014","10.7281","0.0019","13.905","0.002","80.499","0.002","80.921","0.002","70.538","0.002","1096.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-aminobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>- (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc","","- C24 H20 N4 O4 Zn -","- C24 H20 N4 O4 Zn -","- C48 H40 N8 O8 Zn2 -","2","1","XU5334","Huang, Miao-Ling; Wang, Ling-Ling","Bis(4-aminobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc","Acta Crystallographica Section E","2011","67","10","m1470","","10.1107/S1600536811039389","","","0.71073","MoKα","","0.0453","0.0349","","","0.0844","0.09","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232119","10.213","0.002","16.058","0.003","14.633","0.003","90","","100.75","0.03","90","","2357.7","0.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'- bipyridyl-κ^2^<i>N</i>,<i>N</i>')(2-phenylacetato-κ<i>O</i>)copper(II)] dihydrate","","- C52 H48 Cu2 N4 O10 -","- C52 H48 Cu2 N4 O10 -","- C104 H96 Cu4 N8 O20 -","2","0.5","YA2144","Xu, Wei; Jin, Ling; Liu, Bin-Bin","Bis(μ-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(2-phenylacetato-κ<i>O</i>)copper(II)] dihydrate","Acta Crystallographica Section E","2011","67","10","m1334","","10.1107/S1600536811035483","","","0.71073","MoKα","","0.046","0.031","","","0.073","0.09","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232120","9.3665","0.0017","10.2069","0.0012","9.7774","0.0016","90","","114.42","0.02","90","","851.1","0.3","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","<i>N</i>-(3-Chloro-4-fluorophenyl)-2,2-diphenylacetamide","","- C20 H15 Cl F N O -","- C20 H15 Cl F N O -","- C40 H30 Cl2 F2 N2 O2 -","2","1","YA2145","Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Narayana, B.; Yathirajan, H. S.","<i>N</i>-(3-Chloro-4-fluorophenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2011","67","10","o2604","","10.1107/S1600536811036075","","","0.71073","MoKα","","0.05","0.042","","","0.099","0.109","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232121","14.711","0.005","10.169","0.003","16.832","0.005","90","","97.275","0.006","90","","2497.7","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2-Pyridyl)pyridinium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(nitrato- κ^2^<i>O</i>,<i>O</i>')bismuthate(III)","","- C20 H17 Bi N8 O12 -","- C20 H17 Bi N8 O12 -","- C80 H68 Bi4 N32 O48 -","4","0.5","YK2019","Meng, Zhao-Hui; Zhang, Shu-Shen","2-(2-Pyridyl)pyridinium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')bismuthate(III)","Acta Crystallographica Section E","2011","67","10","m1402","m1403","10.1107/S160053681103769X","","","0.71073","MoKα","","0.0475","0.0353","","","0.0809","0.0841","","","","","","1.016","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2232122","8.19","0.008","13.914","0.003","11.675","0.004","90","","102.38","0.02","90","","1299.5","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-3-(4-chlorobenzoyl)imidazo[1,2-<i>a</i>]pyridin-1-ium-2-olate","","- C15 H11 Cl N2 O2 -","- C15 H11 Cl N2 O2 -","- C60 H44 Cl4 N8 O8 -","4","1","YK2022","Rybakov, Victor B.; Babaev, Eugene V.","1-Methyl-3-(4-chlorobenzoyl)imidazo[1,2-<i>a</i>]pyridin-1-ium-2-olate","Acta Crystallographica Section E","2011","67","10","o2814","","10.1107/S1600536811039614","","","0.71073","MoKα","","0.0953","0.0439","","","0.0871","0.1065","","","","","","0.941","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232123","8.2599","0.0001","10.595","0.0002","11.1097","0.0002","111.784","0.001","94.066","0.001","102.749","0.001","867.94","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(2,2'-bipyridine)(μ~3~-7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato)cadmium] monohydrate]","","- C18 H18 Cd N2 O6 -","- C18 H18 Cd N2 O6 -","- C36 H36 Cd2 N4 O12 -","2","1","ZB2016","Zhang, Ling-Ling; Li, Shi-Kun; Feng, Jie; Lin, Qiu-Yue","Poly[[(2,2'-bipyridine)(<i>{μ</i>}~3~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmium] monohydrate]","Acta Crystallographica Section E","2011","67","10","m1390","m1391","10.1107/S1600536811036634","","","0.71073","MoKα","","0.0242","0.0221","","","0.0578","0.0592","","","","","","0.952","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2232124","6.8048","0.0004","8.6071","0.0005","15.8244","0.0008","90","","99.445","0.005","90","","914.26","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(Prop-2-yn-1-yl)-1,3-benzothiazol-2-amine","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","1","ZJ2020","Agarwal, Alka; Singh, Manavendra Kumar; Singh, Suryabhan; Bhattacharya, S.; Awasthi, Satish K.","<i>N</i>-(Prop-2-yn-1-yl)-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2011","67","10","o2637","o2638","10.1107/S1600536811035136","","","0.71073","MoKα","","0.078","0.043","","","0.1113","0.1314","","","","","","0.876","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232125","21.8417","0.0014","7.371","0.0004","16.2467","0.001","90","","108.68","0.007","90","","2477.9","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(3-Chlorophenyl)-2-methyl-4-nitro-1<i>H</i>-imidazole-5-carboxamide","","- C11 H9 Cl N4 O3 -","- C11 H9 Cl N4 O3 -","- C88 H72 Cl8 N32 O24 -","8","1","ZK2021","Korzański, Artur; Wagner, Paweł; Kubicki, Maciej","1-(3-Chlorophenyl)-2-methyl-4-nitro-1<i>H</i>-imidazole-5-carboxamide","Acta Crystallographica Section E","2011","67","10","o2626","","10.1107/S1600536811036609","","","0.71073","MoKα","","0.0494","0.0382","","","0.0967","0.1043","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232126","8.3341","0.0006","13.047","0.0009","16.0729","0.0012","107.737","0.001","102.541","0.001","95.259","0.001","1601.3","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","{<i>N</i>'-[1-(2-Pyridyl)ethylidene-κ<i>N</i>]benzohydrazidato-κ^2^<i>N</i>',\ <i>O</i>}{<i>N</i>'-[1-(2-pyridyl)ethylidene-κ<i>N</i>]benzohydrazide-\ κ^2^<i>N</i>',<i>O</i>}copper(II) trichloroacetate","","- C30 H25 Cl3 Cu N6 O4 -","- C30 H25 Cl3 Cu N6 O4 -","- C60 H50 Cl6 Cu2 N12 O8 -","2","1","ZK2027","Datta, Amitabha; Chuang, Nien-Tsu; Wen, Yun-Sheng; Huang, Jui-Hsien; Sheu, Shiann-Cherng","{<i>N</i>'-[1-(2-Pyridyl)ethylidene-κ<i>N</i>]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}{<i>N</i>'-[1-(2-pyridyl)ethylidene-κ<i>N</i>]benzohydrazide-κ^2^<i>N</i>',<i>O</i>}copper(II) trichloroacetate","Acta Crystallographica Section E","2011","67","10","m1388","","10.1107/S1600536811036592","","","0.71073","MoKα","","0.0705","0.0585","","","0.176","0.1888","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232127","7.7414","0.0012","30.418","0.005","16.949","0.003","90","","90","","90","","3991.1","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(2,4,6-trimethylanilinium) sulfate monohydrate","","- C18 H30 N2 O5 S -","- C18 H30 N2 O5 S -","- C144 H240 N16 O40 S8 -","8","2","ZK2028","Rong, Tao","Bis(2,4,6-trimethylanilinium) sulfate monohydrate","Acta Crystallographica Section E","2011","67","10","o2729","","10.1107/S1600536811038086","","","0.71073","MoKα","","0.0778","0.0614","","","0.1341","0.1425","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232128","8.5971","0.001","20.182","0.003","15.794","0.002","90","","102.05","0.007","90","","2680","0.6","297","0.5","297","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloridodiphenyl{[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]-4- phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}tin(IV) methanol monosolvate","","- C25 H25 Cl N4 O S2 Sn -","- C25 H25 Cl N4 O S2 Sn -","- C100 H100 Cl4 N16 O4 S8 Sn4 -","4","1","ZK2029","Arumugam, Sri Ranjini; Dasary, Samuel S. R.; Venkatraman, Ramaiyer; Yu, Hongtao; Fronczek, Frank R.","Chloridodiphenyl{[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]-4-phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}tin(IV) methanol monosolvate","Acta Crystallographica Section E","2011","67","10","m1409","m1410","10.1107/S1600536811037627","","","0.71073","MoKα","","0.0559","0.0322","","","0.0626","0.0697","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232129","10.5238","0.0004","12.2289","0.0004","15.0504","0.0005","90","","111.34","0.002","90","","1804.1","0.11","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2,7-Dimethoxynaphthalen-1-yl)(2,4,6-trimethylphenyl)methanone","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","ZK2031","Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","(2,7-Dimethoxynaphthalen-1-yl)(2,4,6-trimethylphenyl)methanone","Acta Crystallographica Section E","2011","67","10","o2813","","10.1107/S1600536811039225","","","1.54187","CuKα","","0.0421","0.0387","","","0.1086","0.1121","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232130","3.8878","0.0006","21.686","0.003","7.3919","0.0011","90","","90.294","0.011","90","","623.21","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-nitro-N-(3-nitrophenyl)benzamide","4-Nitro-<i>N</i>-(3-nitrophenyl)benzamide","","- C13 H9 N3 O5 -","- C13 H9 N3 O5 -","- C26 H18 N6 O10 -","2","1","ZL2389","Johnston, Dean H.; Taylor, Colin R.","4-Nitro-<i>N</i>-(3-nitrophenyl)benzamide","Acta Crystallographica Section E","2011","67","10","o2735","","10.1107/S1600536811038062","","","0.71073","MoKα","","0.0409","0.0339","","","0.078","0.0831","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232131","7.977","0.003","13.88","0.005","12.134","0.004","90","","97.944","0.007","90","","1330.6","0.8","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diaquaiodido(2,3,5,6-tetra-2-pyridylpyrazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) iodide monohydrate","","- C24 H22 I2 Mn N6 O3 -","- C24 H22 I2 Mn N6 O3 -","- C48 H44 I4 Mn2 N12 O6 -","2","1","ZQ2121","Ha, Kwang","Diaquaiodido(2,3,5,6-tetra-2-pyridylpyrazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) iodide monohydrate","Acta Crystallographica Section E","2011","67","10","m1333","","10.1107/S1600536811035434","","","0.71073","MoKα","","0.0647","0.0399","","","0.0718","0.115","","","","","","1.227","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232132","10.6037","0.0002","13.6564","0.0003","16.2893","0.0004","90","","90","","90","","2358.83","0.09","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","deacetylnomilin monohydrate","1-hydroxy-1,2-dihydroobacunoic acid 3,4-lactone monohydrate","","- C26 H34 O9 -","- C26 H34 O9 -","- C104 H136 O36 -","4","1","ZS2135","Li, Guo-Qiang; Ye, Yong-Shu; Yang, Yi-Ting; Luo, Hu-Jie; Li, Yao-Lan","Deacetylnomilin monohydrate","Acta Crystallographica Section E","2011","67","10","o2561","","10.1107/S1600536811035033","","","1.5418","CuKα","","0.034","0.0321","","","0.0834","0.0852","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232133","6.77","0.002","13.17","0.005","14.851","0.005","78.114","0.012","81.715","0.015","87.318","0.016","1282","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-3-{4-[(2-Hydroxybenzylidene)amino]-3-phenyl-5-sulfanylidene- 4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","","- C30 H24 N4 O2 S -","- C30 H24 N4 O2 S -","- C60 H48 N8 O4 S2 -","2","1","ZS2139","Liu, Qing-lei; Wang, Wei; Gao, Yan; Zhang, Jing-jing; Jia, Xiao-yu","<i>rac</i>-3-{4-[(2-Hydroxybenzylidene)amino]-3-phenyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2011","67","10","o2726","","10.1107/S1600536811035203","","","0.71073","MoKα","","0.0615","0.0397","","","0.0858","0.0936","","","","","","0.948","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232134","13.3303","0.0013","21.832","0.002","9.2773","0.0009","90","","98.213","0.003","90","","2672.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-3-{4-[(4-Nitrobenzylidene)amino]-3-phenyl-5-sulfanylidene- 4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","","- C30 H23 N5 O3 S -","- C30 H23 N5 O3 S -","- C120 H92 N20 O12 S4 -","4","1","ZS2140","Wang, Wei; Gao, Yan; Xu, Chao; Wu, Wen-peng; Liu, Qing-lei","<i>rac</i>-3-{4-[(4-Nitrobenzylidene)amino]-3-phenyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2011","67","10","o2727","","10.1107/S1600536811035197","","","0.71073","MoKα","","0.0626","0.0492","","","0.1226","0.131","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232135","8.154","0.003","21.194","0.006","12.878","0.004","90","","107.965","0.005","90","","2117","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-3-{4-[(Furan-2-ylmethylidene)amino]-3-methyl-5-sulfanylidene- 4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","","- C23 H20 N4 O2 S -","- C23 H20 N4 O2 S -","- C92 H80 N16 O8 S4 -","4","1","ZS2141","Wang, Wei; Gao, Yan; Wu, Wen-peng; Xu, Chao; Liu, Qing-lei","<i>rac</i>-3-{4-[(Furan-2-ylmethylidene)amino]-3-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl}-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2011","67","10","o2728","","10.1107/S1600536811035185","","","0.71073","MoKα","","0.047","0.0397","","","0.1019","0.106","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232136","8.1634","0.0008","8.8413","0.0009","18.9968","0.0018","89.493","0.001","79.27","0.002","65.663","0.001","1223.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2-(tritylsulfanyl)ethyl 3-iodobenzoate","2-(Tritylsulfanyl)ethyl 3-iodobenzoate","","- C28 H23 I O2 S -","- C28 H23 I O2 S -","- C56 H46 I2 O4 S2 -","2","1","ZS2142","Zhu, Xin; Ng, Seik Weng","2-(Tritylsulfanyl)ethyl 3-iodobenzoate","Acta Crystallographica Section E","2011","67","10","o2631","","10.1107/S1600536811036427","","","0.71073","MoKα","","0.0578","0.0447","","","0.1131","0.1257","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232137","16.6029","0.0003","7.40255","0.00012","14.8666","0.0003","90","","110.487","0.002","90","","1711.6","0.06","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-hydroxy-3,4',6,7-tetramethoxyflavone","5-Hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","","- C19 H18 O7 -","- C19 H18 O7 -","- C76 H72 O28 -","4","1","ZS2143","Geng, Hua-Wei; Wang, Guo-Cai; Li, Guo-Qiang; Jiang, Ren-Wang; Li, Yao-Lan","5-Hydroxy-3,4',6,7-tetramethoxyflavone","Acta Crystallographica Section E","2011","67","10","o2733","","10.1107/S160053681103827X","","","1.5418","CuKα","","0.0391","0.035","","","0.0932","0.0973","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232138","7.567","0.0003","7.7208","0.0003","9.3072","0.0004","81.212","0.003","76.59","0.003","71.385","0.003","499.43","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","2,6,6-trimethylcyclohexene-1-carbaldehyde oxime","2,6,6-Trimethylcyclohexene-1-carbaldehyde oxime","","- C10 H17 N O -","- C10 H17 N O -","- C20 H34 N2 O2 -","2","1","ZS2144","Parthasarathy, Rajasekaran; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Sulochana, Nagarajan","2,6,6-Trimethylcyclohexene-1-carbaldehyde oxime","Acta Crystallographica Section E","2011","67","10","o2732","","10.1107/S1600536811037895","","","0.71073","MoKα","","0.0832","0.0533","","","0.168","0.1908","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232139","5.6969","0.0015","12.657","0.003","17.604","0.005","90","","90","","90","","1269.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","AA2024","Kuai, Hai-Wei; Cheng, Xiao-Chun","Orthorhombic polymorph of 4-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section E","2011","67","11","o3014","","10.1107/S1600536811042838","","","0.71073","MoKα","","0.0596","0.0387","","","0.0809","0.0887","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232140","11.5817","0.0012","9.0152","0.001","14.8607","0.0016","90","","112.749","0.002","90","","1430.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (9a<i>R</i>*,10<i>S</i>*,11<i>R</i>*,13a<i>S</i>*,13b<i>S</i>*)- 9-oxo-6,7,9,9a,10,11-hexahydro-5<i>H</i>,13b<i>H</i>-11,13a- epoxypyrrolo[2',1':3,4][1,4]diazepino[2,1-<i>a</i>]isoindole-10-carboxylate","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","AA2027","Toze, Flavien A. A.; Airiyan, Inga K.; Nikitina, Eugeniya V.; Sorokina, Elena A.; Khrustalev, Victor N.","Methyl (9a<i>R</i>*,10<i>S</i>*,11<i>R</i>*,13a<i>S</i>*,13b<i>S</i>*)-9-oxo-6,7,9,9a,10,11-hexahydro-5<i>H</i>,13b<i>H</i>-11,13a-epoxypyrrolo[2',1':3,4][1,4]diazepino[2,1-<i>a</i>]isoindole-10-carboxylate","Acta Crystallographica Section E","2011","67","11","o2852","o2853","10.1107/S1600536811040360","","","0.71073","MoKα","","0.0423","0.0372","","","0.095","0.0993","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232141","22.573","0.005","10.729","0.002","17.024","0.003","90","","90","","90","","4123","1.4","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[(μ~2~-1,3-di-4-pyridylpropane)(μ~3~-1,3-phenylenediacetato)cadmium]","","- C23 H22 Cd N2 O4 -","- C23 H22 Cd N2 O4 -","- C184 H176 Cd8 N16 O32 -","8","1","AA2028","Liu, Dong; Li, Ni-Ya","Poly[(μ~2~-1,3-di-4-pyridylpropane)(μ~3~-1,3-phenylenediacetato)cadmium]","Acta Crystallographica Section E","2011","67","11","m1540","","10.1107/S1600536811041432","","","0.71073","MoKα","","0.0846","0.0614","","","0.0994","0.1082","","","","","","1.192","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232142","5.029","0.0007","5.49","0.0008","36.254","0.005","90","","90","","90","","1000.9","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-Benzylglycine hydrochloride","1-Carboxy-3-phenylpropan-2-aminium chloride","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","AA2029","Hosten, Eric; Gerber, Thomas; Betz, Richard","1-Carboxy-3-phenylpropan-2-aminium chloride","Acta Crystallographica Section E","2011","67","11","o2947","","10.1107/S1600536811041638","","","0.71069","MoKα","","0.0834","0.0795","","","0.1758","0.1772","","","","","","1.335","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232143","7.8313","0.0005","10.7772","0.0008","17.3009","0.0012","90","","101.464","0.001","90","","1431.06","0.17","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(nitrato-κ<i>O</i>)bis[4,4,5,5-tetramethyl-2-(5-methyl-1<i>H</i>-imidazol- 4-yl-κ<i>N</i>^3^)-2-imidazoline-1-oxyl 3-oxide-κ<i>O</i>]nickel(II)","","- C22 H34 N10 Ni O10 -","- C22 H34 N10 Ni O10 -","- C44 H68 N20 Ni2 O20 -","2","0.5","BG2419","Chang, Jiu Li; Gao, Zhi Yong","Bis(nitrato-κ<i>O</i>)bis[4,4,5,5-tetramethyl-2-(5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)-2-imidazoline-1-oxyl 3-oxide-κ<i>O</i>]nickel(II)","Acta Crystallographica Section E","2011","67","11","m1506","","10.1107/S1600536811040402","","","0.71073","MoKα","","0.0338","0.0289","","","0.0798","0.0836","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232144","9.7477","0.0016","10.261","0.0018","11.048","0.0019","88.849","0.003","72.115","0.004","83.121","0.003","1043.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ-benzene-1,4-dicarboxylato)bis[μ-4-(1<i>H</i>-1,3,7,8- tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)benzoato]dizinc] tetrahydrate]","","- C48 H34 N8 O12 Zn2 -","- C48 H26 N8 O12 Zn2 -","- C48 H26 N8 O12 Zn2 -","1","0.5","BG2420","Wang, Chun-Jie; Wang, Qian-Qian; Xu, Xiang-Jun; Liu, Chun-Bo; Che, Guang-Bo","Poly[[(μ-benzene-1,4-dicarboxylato)bis[μ-4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)benzoato]dizinc] tetrahydrate]","Acta Crystallographica Section E","2011","67","11","m1493","m1494","10.1107/S1600536811040062","","","0.71073","MoKα","","0.0801","0.0564","","","0.1246","0.1387","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232145","3.9425","0.0001","9.2588","0.0002","19.2368","0.0003","90","","90","","90","","702.2","0.03","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Thieno[3,4-<i>d</i>][1,3]dithiole-2-thione","","- C5 H2 S4 -","- C5 H2 S4 -","- C20 H8 S16 -","4","1","BG2422","Wen, Hua-wen; Fang, Qi","Thieno[3,4-<i>d</i>][1,3]dithiole-2-thione","Acta Crystallographica Section E","2011","67","11","o3097","","10.1107/S1600536811044084","","","0.71073","MoKα","","0.0248","0.0213","","","0.0512","0.0525","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232146","21.4805","0.0008","17.6053","0.001","17.5723","0.0008","90","","90","","90","","6645.3","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakis(μ~3~-9-oxa-10-boraanthracen-10-olato)tetrakis[(diethyl ether)lithium]","","- C64 H72 B4 Li4 O12 -","- C64 H72 B4 Li4 O12 -","- C256 H288 B16 Li16 O48 -","4","1","BG2423","Franz, Daniel; Lerner, Hans-Wolfram; Büttner, Dominik; Bolte, Michael","Tetrakis(μ~3~-9-oxa-10-boraanthracen-10-olato)tetrakis[(diethyl ether)lithium]","Acta Crystallographica Section E","2011","67","11","m1525","","10.1107/S1600536811041201","","","0.71073","MoKα","","0.0914","0.0773","","","0.195","0.2036","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232147","5.62","0.0011","8.8577","0.0018","14.481","0.003","90","","96.55","0.03","90","","716.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[bis(1-ethyl-1<i>H</i>imidazole-κ<i>N</i>^3^)copper(II)]- μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C12 H16 Cu N4 O4 -","- C12 H16 Cu N4 O4 -","- C24 H32 Cu2 N8 O8 -","2","0.5","BG2425","Xu, Qian","<i>catena</i>-Poly[[bis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2011","67","11","m1585","","10.1107/S1600536811043121","","","0.71073","MoKα","","0.0603","0.04","","","0.0853","0.0924","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232148","18.1696","0.0008","10.0728","0.0005","15.8413","0.0007","90","","103.779","0.003","90","","2815.8","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[5,5-Bis(4-benzyloxyphenyl)-3-cyano-4-methyl-2,5-dihydrofuran-2- ylidene]malononitrile","","- C35 H25 N3 O3 -","- C35 H25 N3 O3 -","- C140 H100 N12 O12 -","4","1","BG2427","Gainsford, Graeme J.; Anderson, Jack; Bhuiyan, M. Delower H.; Kay, Andrew J.","C—H···π packing interactions in 2-[5,5-bis(4-benzyloxyphenyl)-3-cyano-4-methyl-2,5-dihydrofuran-2-ylidene]malononitrile","Acta Crystallographica Section E","2011","67","11","o3046","o3047","10.1107/S1600536811043480","","","0.71073","MoKα","","0.0791","0.047","","","0.1008","0.1149","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232149","8.1448","0.0016","14.179","0.003","15.91","0.003","73.9","0.03","88.59","0.03","89.53","0.03","1764.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(4,4'-bipyridine-κ<i>N</i>)bis(1,4-dioxo-1,4-dihydronaphthalen-2-olato- κ^2^<i>O</i>^1^,<i>O</i>^2^)zinc 4,4'-bipyridine monosolvate dihydrate","","- C40 H32 N4 O9 Zn -","- C40 H32 N4 O9 Zn -","- C80 H64 N8 O18 Zn2 -","2","1","BH2363","Silva, Marcos M. P.; Carvalho, Lucas J.; Lanznaster, Maurício; Resende, Jackson A. L. C.","Aqua(4,4'-bipyridine-κ<i>N</i>)bis(1,4-dioxo-1,4-dihydronaphthalen-2-olato-κ^2^<i>O</i>^1^,<i>O</i>^2^)zinc 4,4'-bipyridine monosolvate dihydrate","Acta Crystallographica Section E","2011","67","11","m1489","m1490","10.1107/S1600536811038682","","","0.71073","MoKα","","0.1051","0.044","","","","0.0886","","","","","","0.91","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232150","11.9474","0.0002","5.9406","0.0001","27.3861","0.0004","90","","90.861","0.001","90","","1943.5","0.05","119.9","","119.9","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-[(2,3,3a,4,5,6,7,7a-Octahydro-1<i>H</i>-1,3-benzimidazole-1,3- diyl)bis(methylene)]bis(1<i>H</i>-benzotriazole)","","- C21 H24 N8 -","- C21 H24 N8 -","- C84 H96 N32 -","4","1","BH2381","Rivera, Augusto; Pacheco, Dency José; Ríos-Motta, Jaime; Pojarová, Michaela; Dušek, Michal","1,1'-[(2,3,3a,4,5,6,7,7a-Octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1<i>H</i>-benzotriazole)","Acta Crystallographica Section E","2011","67","11","o3071","","10.1107/S160053681104044X","","","1.5418","CuKα","","0.0588","0.0515","","","0.1288","0.1374","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232151","7.9966","0.001","14.1981","0.0018","12.9266","0.0017","90","","94.169","0.003","90","","1463.8","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridobis[4,4,5,5-tetramethyl-2-(5-methyl-1<i>H</i>-imidazol-4-yl- κ<i>N</i>^3^)-2-imidazoline-1-oxyl 3-oxide-κ<i>O</i>]copper(II)","","- C22 H34 Cl2 Cu N8 O4 -","- C22 H34 Cl2 Cu N8 O4 -","- C44 H68 Cl4 Cu2 N16 O8 -","2","0.5","BH2382","Gao, Zhi Yong; Zhang, Wen Bei","Dichloridobis[4,4,5,5-tetramethyl-2-(5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)-2-imidazoline-1-oxyl 3-oxide-κ<i>O</i>]copper(II)","Acta Crystallographica Section E","2011","67","11","m1504","","10.1107/S1600536811040475","","","0.71073","MoKα","","0.0738","0.0595","","","0.1845","0.2023","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232152","10.2322","0.0006","10.6188","0.0005","11.2658","0.0006","69.419","0.001","79.269","0.001","81.536","0.001","1121.45","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>''-(2,6- difluorobenzoyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide","","- C21 H32 F2 N3 O2 P -","- C21 H32 F2 N3 O2 P -","- C42 H64 F4 N6 O4 P2 -","2","1","BH2384","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>''-(2,6-difluorobenzoyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide","Acta Crystallographica Section E","2011","67","11","o3027","","10.1107/S1600536811043029","","","0.71073","MoKα","","0.0426","0.0366","","","0.0931","0.0973","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232153","10.463","0.0013","10.463","0.0013","15.276","0.002","90","","90","","90","","1672.3","0.4","173","2","173","2","","","","","","","","5","I -4","I -4","82","","hexa-μ~2~-bromido-μ~4~-oxido-tetrakis[(diethyl ether)magnesium]","","- C16 H40 Br6 Mg4 O5 -","- C16 H40 Br6 Mg4 O5 -","- C32 H80 Br12 Mg8 O10 -","2","0.25","BH2385","Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","The low-temperature structure of diethyl ether magnesium oxybromide","Acta Crystallographica Section E","2011","67","11","m1614","","10.1107/S1600536811043820","","","0.71073","MoKα","","0.0268","0.0263","","","0.0669","0.067","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232154","7.106","0.005","8.976","0.006","10.225","0.006","69.566","0.005","73.434","0.005","83.056","0.005","585.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido{<i>N</i>-[1-(pyrazin-2-yl)ethylidene-κ<i>N</i>^1^]ethane-1,2- diamine-κ^2^<i>N</i>,<i>N</i>'}zinc","","- C8 H12 Cl2 N4 Zn -","- C8 H12 Cl2 N4 Zn -","- C16 H24 Cl4 N8 Zn2 -","2","1","BH2386","Liu, Jia-Cheng; Li, Meng; Mohammed Omer, Abedelwahed Saeed; Wei, Yun; Guo, Guo-Zhe","Dichlorido{<i>N</i>-[1-(pyrazin-2-yl)ethylidene-κ<i>N</i>^1^]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}zinc","Acta Crystallographica Section E","2011","67","11","m1555","","10.1107/S1600536811042115","","","0.71073","MoKα","","0.038","0.0305","","","0.0691","0.071","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232155","5.973","0.0002","15.3905","0.0003","11.7713","0.0004","90","","100.499","0.0013","90","","1063.99","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>R</i>)-<i>N</i>-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (<i>E</i>)-but-2-enoate","","- C24 H29 Fe N O3 -","- C24 H29 Fe N O3 -","- C48 H58 Fe2 N2 O6 -","2","1","BH2388","Štěpnička, Petr; Císařová, Ivana","(<i>R</i>)-<i>N</i>-(Ferrocenylmethyl)-1-hydroxy-3-phenylpropan-2-aminium (<i>E</i>)-but-2-enoate","Acta Crystallographica Section E","2011","67","11","m1619","m1620","10.1107/S1600536811044096","","","0.71073","MoKα","","0.0358","0.0302","","","0.0642","0.067","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232156","8.8694","0.0008","9.7501","0.0009","10.3796","0.0011","83.369","0.002","76.196","0.001","80.038","0.001","855.95","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-Allyl-2-methoxyphenyl 3,4-dichlorobenzenesulfonate","","- C16 H14 Cl2 O4 S -","- C16 H14 Cl2 O4 S -","- C32 H28 Cl4 O8 S2 -","2","1","BH2390","Ma, Ya-Tuan; Gao, Zhao-Feng; Liu, Qi-Chao; Jin, Gang; Gao, Jin-Ming","4-Allyl-2-methoxyphenyl 3,4-dichlorobenzenesulfonate","Acta Crystallographica Section E","2011","67","11","o3082","","10.1107/S1600536811044163","","","0.71073","MoKα","","0.0877","0.0476","","","0.1115","0.14","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232157","10.296","0.002","23.503","0.005","7.906","0.0016","90","","90","","90","","1913.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","3-Methoxymethyl-16β,17β-epiestriol-16β,17β-diyl sulfate","","- C20 H26 O6 S -","- C20 H26 O6 S -","- C80 H104 O24 S4 -","4","1","BQ2303","Chen, Jian-Jun; Wang, Hai-Dong; Yao, Cheng","3-Methoxymethyl-16β,17β-epiestriol-16β,17β-diyl sulfate","Acta Crystallographica Section E","2011","67","11","o2910","","10.1107/S1600536811039213","","","0.71073","MoKα","","0.0998","0.0643","","","0.1606","0.1821","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232158","23.067","0.002","8.0794","0.0005","16.47","0.001","90","","101.575","0.007","90","","3007","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4-Dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C112 H104 Cl16 N8 O16 S8 -","8","1","BQ2307","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","2,4-Dichloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2842","","10.1107/S1600536811040189","","","0.71073","MoKα","","0.0539","0.0458","","","0.1184","0.1244","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232159","5.2694","0.0002","14.0877","0.0005","16.5665","0.0009","90","","92.588","0.004","90","","1228.54","0.09","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-<i>N</i>-(4-methylphenyl)benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","BQ2308","Rodrigues, Vinola Z.; Vrábel, Viktor; Gowda, B. Thimme; Kožíšek, Jozef","3-Methyl-<i>N</i>-(4-methylphenyl)benzamide","Acta Crystallographica Section E","2011","67","11","o2894","","10.1107/S1600536811040967","","","0.71073","MoKα","","0.0825","0.036","","","0.0799","0.0879","","","","","","0.827","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232160","7.8078","0.0003","12.1704","0.0005","27.1217","0.0009","90","","93.564","0.003","90","","2572.23","0.17","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(3-Chlorophenyl)-4-methylbenzamide hemihydrate","","- C14 H13 Cl N O1.5 -","- C14 H13 Cl N O1.5 -","- C112 H104 Cl8 N8 O12 -","8","1","BQ2309","Rodrigues, Vinola Z.; Kucková, Lenka; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(3-Chlorophenyl)-4-methylbenzamide hemihydrate","Acta Crystallographica Section E","2011","67","11","o2899","","10.1107/S1600536811040992","","","0.71073","MoKα","","0.1133","0.0579","","","0.118","0.1417","","","","","","1.012","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232161","10.344","0.002","12.086","0.002","13.331","0.003","71.54","0.03","88.37","0.03","69.37","0.03","1473","0.7","223.15","","223.15","","","","","","","","","6","P -1","-P 1","2","","Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium sulfate hexahydrate","","- C24 H32 Cd N4 O12 S -","- C24 H32 Cd N4 O12 S -","- C48 H64 Cd2 N8 O24 S2 -","2","1","BQ2310","Zhong, Kai-Long","Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium sulfate hexahydrate","Acta Crystallographica Section E","2011","67","11","m1609","m1610","10.1107/S1600536811043194","","","0.71073","MoKα","","0.0512","0.0397","","","0.0768","0.0815","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232162","6.2738","0.0013","11.852","0.002","19.496","0.004","105.25","0.03","94.63","0.03","99.87","0.03","1365.8","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis(4-bromobenzoato-κ<i>O</i>)zinc]-μ- 1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'] acetonitrile monosolvate]","","- C28 H21 Br2 N3 O4 Zn -","- C28 H21 Br2 N3 O4 Zn -","- C56 H42 Br4 N6 O8 Zn2 -","2","1","BQ2311","Li, Ni-Ya; Sun, Deng-Ming","<i>catena</i>-Poly[[[bis(4-bromobenzoato-κ<i>O</i>)zinc]-μ-1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'] acetonitrile monosolvate]","Acta Crystallographica Section E","2011","67","11","m1553","","10.1107/S1600536811042188","","","0.71073","MoKα","","0.0997","0.0534","","","0.0948","0.1097","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232163","8.761","0.0008","9.6281","0.0009","10.7951","0.0011","76.878","0.001","83.028","0.002","77.632","0.001","863.69","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro- 4<i>H</i>-chromene-3-carbonitrile ethanol monosolvate","","- C18 H19 Cl N2 O3 -","- C18 H19 Cl N2 O3 -","- C36 H38 Cl2 N4 O6 -","2","1","BQ2312","Qiao, Yan; Kong, Lingqian; Chen, Guifang; Li, Shengli; Gao, Zhiqing","2-Amino-4-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile ethanol monosolvate","Acta Crystallographica Section E","2011","67","11","o3099","","10.1107/S1600536811043650","","","0.71073","MoKα","","0.145","0.0823","","","0.1967","0.2302","","","","","","0.899","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232164","9.4626","0.0019","10.113","0.002","11.351","0.002","98.95","0.03","92.19","0.03","116.88","0.03","949.8","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~2~-1,2-bis(4-pyridyl)ethene](μ~3~-1,3-phenylenediacetato)cadmium]","","- C22 H18 Cd N2 O4 -","- C22 H18 Cd N2 O4 -","- C44 H36 Cd2 N4 O8 -","2","1","BQ2313","Liu, Dong","Poly[[μ~2~-1,2-bis(4-pyridyl)ethene](μ~3~-1,3-phenylenediacetato)cadmium]","Acta Crystallographica Section E","2011","67","11","m1599","","10.1107/S1600536811043467","","","0.71073","MoKα","","0.0367","0.033","","","0.0826","0.0831","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232165","9.715","0.0008","11.3607","0.0009","16.8591","0.0014","102.605","0.001","102.984","0.001","104.752","0.001","1676.8","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Tris{2-[(furan-2-methyl)iminomethyl]-4-methylphenolato}cobalt(III)","","- C39 H36 Co N3 O6 -","- C39 H36 Co N3 O6 -","- C78 H72 Co2 N6 O12 -","2","1","BR2174","Li, Chunyan","Tris{2-[(furan-2-methyl)iminomethyl]-4-methylphenolato}cobalt(III)","Acta Crystallographica Section E","2011","67","11","m1640","","10.1107/S1600536811044588","","","0.71073","MoKα","","0.0444","0.0395","","","0.1086","0.1111","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232166","22.5087","0.0016","4.8717","0.0004","28.864","0.002","90","","111.505","0.001","90","","2944.8","0.4","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{2,4-dibromo-6-[(2-phenylethyl)iminomethyl]phenolato- κ^2^<i>N</i>,<i>O</i>}cobalt(II)","","- C30 H24 Br4 Co N2 O2 -","- C30 H24 Br4 Co N2 O2 -","- C120 H96 Br16 Co4 N8 O8 -","4","0.5","BR2176","Yin, Yanli; Wang, Jinrong; Zhao, Yongliang; Huang, Liang","Bis{2,4-dibromo-6-[(2-phenylethyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II)","Acta Crystallographica Section E","2011","67","11","m1642","","10.1107/S160053681104459X","","","0.71073","MoKα","","0.0386","0.0324","","","0.1044","0.108","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232167","8.1767","0.0008","9.7687","0.0009","8.0451","0.0008","99.49","0.02","106.07","0.02","113.29","0.02","539.09","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Ag1 As1 Mo3 Na2 O13","silver disodium trimolybdenum(VI) nonaoxide arsenate","","- Ag1.06 As Mo3 Na1.94 O13 -","- Ag1.062 As Mo3 Na1.938 O13 -","- Ag2.124 As2 Mo6 Na3.876 O26 -","2","1","BR2178","Hamza, Hamadi; Zid, Mohamed Faouzi; Driss, Ahmed","AgNa~2~Mo~3~O~9~AsO~4~","Acta Crystallographica Section E","2011","67","11","i63","","10.1107/S1600536811041961","","","0.71073","MoKα","","0.031","0.0236","","","0.06","0.0629","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232168","6.2383","0.0002","14.2296","0.0005","15.653","0.0006","105.942","0.003","95.737","0.003","98.041","0.003","1308.87","0.08","119.9","","119.9","","","","","","","","","4","P -1","-P 1","2","","4,4'-Di-<i>tert</i>-butyl-2,2'-[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a- octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl)bis(methylene)]diphenol","","- C29 H42 N2 O2 -","- C29 H42 N2 O2 -","- C58 H84 N4 O4 -","2","1","BT5652","Rivera, Augusto; Pacheco, Dency José; Ríos-Motta, Jaime; Pojarová, Michaela; Dušek, Michal","4,4'-Di-<i>tert</i>-butyl-2,2'-[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl)bis(methylene)]diphenol","Acta Crystallographica Section E","2011","67","11","o2923","","10.1107/S1600536811039171","","","1.5418","CuKα","","0.0688","0.0535","","","0.1309","0.1429","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232169","8.1132","0.0004","10.9796","0.0007","15.245","0.0008","89.58","0.005","81.028","0.004","70.028","0.005","1259.19","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","Diethyl 4,4'-dihydroxy-3,3'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a- octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}dibenzoate","","- C27 H34 N2 O6 -","- C27 H34 N2 O6 -","- C54 H68 N4 O12 -","2","1","BT5654","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","Diethyl 4,4'-dihydroxy-3,3'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}dibenzoate","Acta Crystallographica Section E","2011","67","11","o2817","o2818","10.1107/S1600536811039559","","","1.5418","CuKα","","0.0608","0.0433","","","0.103","0.111","","","","","","1.64","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232170","9.5595","0.001","9.5883","0.001","14.4661","0.0016","73.619","0.001","87.492","0.002","69.617","0.001","1190.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(methyl xanthato)-κ<i>S</i>;κ^2^<i>S</i>:<i>S</i>'- (triphenylphosphane-κ<i>P</i>)palladium(II)","","- C22 H21 O2 P Pd S4 -","- C22 H21 O2 P Pd S4 -","- C44 H42 O4 P2 Pd2 S8 -","2","1","BT5655","Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","Bis(methyl xanthato)-κ<i>S</i>;κ^2^<i>S</i>:<i>S</i>'-(triphenylphosphane-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2011","67","11","m1518","","10.1107/S1600536811040487","","","0.71073","MoKα","","0.0275","0.0253","","","0.0634","0.0643","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232171","5.6818","0.0003","9.0957","0.0006","10.9259","0.0007","105.586","0.005","103.633","0.005","101.383","0.005","507.65","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[(<i>E</i>)-4,4'-(ethane-1,2-diyl)dipyridinium [[bis(thiocyanato-κ<i>N</i>)ferrate(II)]-di-μ-thiocyanato- κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]]","","- C16 H14 Fe N6 S4 -","- C16 H14 Fe N6 S4 -","- C16 H14 Fe N6 S4 -","1","0.5","BT5657","Wöhlert, Susanne; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[(<i>E</i>)-4,4'-(ethane-1,2-diyl)dipyridinium [[bis(thiocyanato-κ<i>N</i>)ferrate(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]]","Acta Crystallographica Section E","2011","67","11","m1503","","10.1107/S1600536811039924","","","0.71073","MoKα","","0.0325","0.0262","","","0.0611","0.063","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232172","26.3472","0.0006","9.1432","0.0001","21.6585","0.0004","90","","121.139","0.003","90","","4465.7","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 4,4'-dihydroxy-3,3'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro- 1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}dibenzoate","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C200 H240 N16 O48 -","8","1","BT5658","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","Dimethyl 4,4'-dihydroxy-3,3'-{[(3a<i>RS</i>,7a<i>RS</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}dibenzoate","Acta Crystallographica Section E","2011","67","11","o2911","o2912","10.1107/S1600536811040906","","","1.5418","CuKα","","0.0429","0.0347","","","0.0909","0.0971","","","","","","1.54","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232173","15.1378","0.0005","21.2006","0.0008","6.9744","0.0003","90","","92.6106","0.0007","90","","2235.97","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Bromoimidazo[1,2-<i>a</i>]pyridin-8-amine","","- C7 H6 Br N3 -","- C7 H6 Br N3 -","- C84 H72 Br12 N36 -","12","3","BT5659","Dahmani, Siham; Kandri Rodi, Youssef; Capet, Frederic; Essassi, El Mokhtar; Ng, Seik Weng","6-Bromoimidazo[1,2-<i>a</i>]pyridin-8-amine","Acta Crystallographica Section E","2011","67","11","o2838","","10.1107/S1600536811040177","","","0.71073","MoKα","","0.043","0.031","","","0.0718","0.0777","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232174","7.417","0.0006","8.5406","0.0007","24.098","0.0019","90","","90","","90","","1526.5","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Dimethoxy-4-methyl-3-[(<i>S</i>)-<i>p</i>-tolylsulfinyl]benzene","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","BT5660","Mastranzo, Virginia M.; Olivares, José Luis; Sánchez-Obregón, Rubén; Yuste, Francisco; Toscano, Rubén A.","1,2-Dimethoxy-4-methyl-3-[(<i>S</i>)-<i>p</i>-tolylsulfinyl]benzene","Acta Crystallographica Section E","2011","67","11","o2950","","10.1107/S1600536811041420","","","0.71073","MoKα","","0.0419","0.0387","","","0.0968","0.0993","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232175","13.4379","0.0009","10.2493","0.0011","9.26","0.0007","90","","92.893","0.006","90","","1273.75","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(3-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BT5661","Rodrigues, Vinola Z.; Fronc, Marek; Gowda, B. Thimme; Kožíšek, Jozef","4-Chloro-<i>N</i>-(3-methylphenyl)benzamide","Acta Crystallographica Section E","2011","67","11","o2903","","10.1107/S1600536811040864","","","0.71073","MoKα","","0.0718","0.0403","","","0.1078","0.1171","","","","","","0.942","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232176","10.092","0.001","12.585","0.001","18.523","0.002","96.404","0.009","95.279","0.009","103.39","0.01","2257.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-<i>N</i>-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C90 H96 Cl6 N6 O12 S6 -","6","3","BT5662","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2891","","10.1107/S1600536811040876","","","0.71073","MoKα","","0.1608","0.0703","","","0.122","0.1517","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232177","8.275","0.002","8.43","0.002","11.195","0.002","92.12","0.01","96.15","0.01","109.58","0.02","729.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-<i>N</i>-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C30 H32 Cl2 N2 O4 S2 -","2","1","BT5663","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2890","","10.1107/S1600536811040888","","","0.71073","MoKα","","0.0452","0.0382","","","0.0904","0.0957","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232178","7.4349","0.0003","7.5431","0.0003","13.7531","0.0006","84.307","0.001","83.153","0.001","73.333","0.001","731.91","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquacobalt(II) bis[4-(pyridin-2-ylmethoxy)benzoate] dihydrate","","- C26 H36 Co N2 O14 -","- C26 H36 Co N2 O14 -","- C26 H36 Co N2 O14 -","1","0.5","BT5664","Zhang, Li-Wei; Gao, Shan; Ng, Seik Weng","Hexaaquacobalt(II) bis[4-(pyridin-2-ylmethoxy)benzoate] dihydrate","Acta Crystallographica Section E","2011","67","11","m1519","","10.1107/S1600536811040931","","","0.71073","MoKα","","0.0658","0.036","","","0.09","0.138","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232179","7.4895","0.0018","7.6409","0.0018","13.791","0.003","84.498","0.004","82.851","0.005","72.576","0.005","745.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquamanganese(II) bis[4-(pyridin-2-ylmethoxy)benzoate] dihydrate","","- C26 H36 Mn N2 O14 -","- C26 H36 Mn N2 O14 -","- C26 H36 Mn N2 O14 -","1","0.5","BT5665","Zhang, Li-Wei; Gao, Shan; Ng, Seik Weng","Hexaaquamanganese(II) bis[4-(pyridin-2-ylmethoxy)benzoate] dihydrate","Acta Crystallographica Section E","2011","67","11","m1520","","10.1107/S1600536811040943","","","0.71073","MoKα","","0.0978","0.0602","","","0.1496","0.1914","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232180","18.8627","0.0009","13.5779","0.0007","8.9535","0.0004","90","","101.403","0.001","90","","2247.87","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexaaquacobalt(II) bis(2,2'-sulfanediyldiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobaltate(II) tetrahydrate","","- C8 H28 Co2 O18 S2 -","- C8 H28 Co2 O18 S2 -","- C32 H112 Co8 O72 S8 -","4","1","BT5666","Wang, Huang; Gao, Shan; Ng, Seik Weng","Hexaaquacobalt(II) bis(2,2'-sulfanediyldiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobaltate(II) tetrahydrate","Acta Crystallographica Section E","2011","67","11","m1521","","10.1107/S1600536811040979","","","0.71073","MoKα","","0.0277","0.0257","","","0.0644","0.067","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232181","7.491","0.0015","7.5031","0.0015","17.43","0.004","90","","90","","90","","979.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethylanilinium chloride monohydrate","","- C8 H14 Cl N O -","- C8 H14 Cl N O -","- C32 H56 Cl4 N4 O4 -","4","1","BT5667","Biglari Mazlaghani, Hossein; Talei Bavil Olyai, Mohamad Reza; Hossein Zadeh, Soudeh; Notash, Behrouz","2,3-Dimethylanilinium chloride monohydrate","Acta Crystallographica Section E","2011","67","11","o3089","","10.1107/S1600536811043765","","","0.71073","MoKα","","0.052","0.0383","","","0.0979","0.1044","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232182","20.2969","0.0014","7.185","0.0005","8.8662","0.0005","90","","93.75","0.005","90","","1290.22","0.15","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>-(4-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BT5668","Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef","2-Chloro-<i>N</i>-(4-methylphenyl)benzamide","Acta Crystallographica Section E","2011","67","11","o2940","","10.1107/S1600536811041651","","","0.71073","MoKα","","0.1107","0.0573","","","0.1152","0.1384","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232183","6.475","0.0006","7.1561","0.0008","19.594","0.002","90","","107.555","0.001","90","","865.62","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(4-methylbenzylidene)benzene-1,4-diamine","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","BT5670","Li, Haoyang; Xiang, Yonggang; Han, Hongfei","<i>N</i>,<i>N</i>'-Bis(4-methylbenzylidene)benzene-1,4-diamine","Acta Crystallographica Section E","2011","67","11","o2953","","10.1107/S1600536811041675","","","0.71073","MoKα","","0.0914","0.044","","","0.1067","0.1447","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232184","8.7028","0.0009","19.872","0.002","14.5181","0.0014","90","","97.845","0.002","90","","2487.3","0.4","293","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]- μ-(<i>E</i>)-3,3'-(but-2-ene-2,3-diyl)dibenzoato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] hemihydrate]","","- C28 H23 Co N2 O4.5 -","- C28 H23 Co N2 O4.5 -","- C112 H92 Co4 N8 O18 -","4","1","BT5671","Li, Zong-Sheng; Ng, Seik Weng","<i>catena</i>-Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-(<i>E</i>)-3,3'-(but-2-ene-2,3-diyl)dibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] hemihydrate]","Acta Crystallographica Section E","2011","67","11","m1546","","10.1107/S1600536811041699","","","0.71073","MoKα","","0.0998","0.0448","","","0.0974","0.119","","","","","","0.963","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232185","10.505","0.0008","12.5694","0.0005","10.6483","0.0005","90","","115.594","0.002","90","","1268.06","0.13","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenyl)-<i>N</i>,<i>N</i>-dimethyl-3-oxopropan-1-aminium chloride","","- C11 H15 Br Cl N O -","- C11 H15 Br Cl N O -","- C44 H60 Br4 Cl4 N4 O4 -","4","1","BT5672","Abonia, Rodrigo; Schollmeyer, Dieter; Arteaga, Danny","3-(4-Bromophenyl)-<i>N</i>,<i>N</i>-dimethyl-3-oxopropan-1-aminium chloride","Acta Crystallographica Section E","2011","67","11","o2969","","10.1107/S1600536811041985","","","1.54178","CuKα","","0.0514","0.0448","","","0.1184","0.1229","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232186","8.027","0.003","13.582","0.005","19.591","0.007","90","","90","","90","","2135.9","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[(triaquacadmium)-μ-5-hydroxyisophthalato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","","- C8 H10 Cd O8 -","- C8 H10 Cd O8 -","- C64 H80 Cd8 O64 -","8","1","BT5673","Wei, Xiao-Hong; Zhao, Jun","<i>catena</i>-Poly[(triaquacadmium)-μ-5-hydroxyisophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","Acta Crystallographica Section E","2011","67","11","m1560","","10.1107/S160053681104236X","","","0.71073","MoKα","","0.0245","0.0234","","","0.0618","0.063","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232187","8.8808","0.0004","4.894","0.0002","13.7792","0.0005","90","","96.136","0.004","90","","595.45","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-Methoxy-4-methyl-9,10-anthraquinone","","- C16 H12 O3 -","- C16 H12 O3 -","- C32 H24 O6 -","2","1","BT5675","Osman, Che Puteh; Ahmad, Rohaya; Ismail, Nor Hadiani; Awang, Khalijah; Ng, Seik Weng","1-Methoxy-4-methyl-9,10-anthraquinone","Acta Crystallographica Section E","2011","67","11","o2973","","10.1107/S1600536811041912","","","1.54184","CuKα","","0.0375","0.0362","","","0.1056","0.1077","","","","","","1.159","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232188","8.395","0.0003","8.9983","0.0004","28.5375","0.0011","90","","97.188","0.002","90","","2138.8","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2-(2-Methoxy-1-naphthoyl)phenyl](1-naphthyl)methanone","","- C29 H20 O3 -","- C29 H20 O3 -","- C116 H80 O12 -","4","1","BT5676","Jagadeesan, G.; Sethusankar, K.; Sivasakthikumaran, R.; Mohanakrishnan, Arasambattu K.","[2-(2-Methoxy-1-naphthoyl)phenyl](1-naphthyl)methanone","Acta Crystallographica Section E","2011","67","11","o3036","","10.1107/S1600536811042747","","","0.71073","MoKα","","0.09","0.049","","","0.1136","0.1369","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232189","10.7711","0.0009","7.8736","0.0007","31.61","0.003","90","","90","","90","","2680.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(<i>Z</i>)-Benzylidene]-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C16 H13 N O S -","- C16 H13 N O S -","- C128 H104 N8 O8 S8 -","8","1","BT5678","Sabari, V.; Jagadeesan, G.; Selvakumar, Raman; Bakthadoss, Mannickam; Aravindhan, S.","3-[(<i>Z</i>)-Benzylidene]-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o3061","","10.1107/S1600536811042991","","","0.71073","MoKα","","0.0512","0.0387","","","0.1047","0.1119","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232190","9.2007","0.0009","9.8803","0.0009","16.163","0.002","90","","99.286","0.009","90","","1450.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(2,3-dichlorophenyl)-2-methylbenzenesulfonamide","","- C13 H10 Cl3 N O2 S -","- C13 H10 Cl3 N O2 S -","- C52 H40 Cl12 N4 O8 S4 -","4","1","BT5680","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme; Shakuntala, K.","4-Chloro-<i>N</i>-(2,3-dichlorophenyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o3040","","10.1107/S1600536811043005","","","0.71073","MoKα","","0.0463","0.0348","","","0.0909","0.0966","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232191","5.3837","0.0003","7.7382","0.0005","15.0551","0.0008","83.146","0.005","80.436","0.004","89.527","0.005","614.02","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Chlorophenyl)-4-methylbenzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C28 H24 Cl2 N2 O2 -","2","1","BT5681","Rodrigues, Vinola Z.; Vrábel, Viktor; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(4-Chlorophenyl)-4-methylbenzamide","Acta Crystallographica Section E","2011","67","11","o3065","","10.1107/S1600536811043315","","","0.71073","MoKα","","0.0592","0.0471","","","0.1459","0.1524","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232192","7.9638","0.0008","8.8494","0.0009","11.649","0.001","97.002","0.008","102.726","0.009","100.408","0.009","776.35","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-<i>N</i>-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide","","- C13 H10 Cl3 N O2 S -","- C13 H10 Cl3 N O2 S -","- C26 H20 Cl6 N2 O4 S2 -","2","1","BT5682","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme; Shakuntala, K.","4-Chloro-<i>N</i>-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o3066","","10.1107/S1600536811043327","","","0.71073","MoKα","","0.0556","0.0476","","","0.1335","0.1399","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232193","11.4139","0.0002","11.6957","0.0002","16.5262","0.0002","90","","102.037","0.001","90","","2157.63","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3'-(4-Chlorobenzoyl)-4'-(4-chlorophenyl)-1'-methylspiro[indoline-3,2'- pyrrolidin]-2-one","","- C25 H20 Cl2 N2 O2 -","- C25 H20 Cl2 N2 O2 -","- C100 H80 Cl8 N8 O8 -","4","1","BT5687","Srinivasan, T.; Suhitha, S.; Purushothaman, S.; Raghunathan, R.; Velmurugan, D.","3'-(4-Chlorobenzoyl)-4'-(4-chlorophenyl)-1'-methylspiro[indoline-3,2'-pyrrolidin]-2-one","Acta Crystallographica Section E","2011","67","11","o3128","","10.1107/S1600536811044618","","","0.71073","MoKα","","0.0633","0.0405","","","0.101","0.1142","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232194","12.596","0.002","11.276","0.002","8.0936","0.0012","90","","90","","90","","1149.6","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(1,3-Benzothiazol-2-yl)guanidin-2-ium acetate","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","BX2373","Horton, Peter N.; Coles, Simon J.; Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Soliman, A. M.","2-(1,3-Benzothiazol-2-yl)guanidin-2-ium acetate","Acta Crystallographica Section E","2011","67","11","o2920","","10.1107/S160053681104089X","","","0.71073","MoKα","","0.1397","0.0776","","","0.1296","0.1541","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232195","10.989","0.002","12.369","0.003","14.143","0.003","66.58","0.03","87.79","0.03","85.46","0.03","1758.4","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Tetra-μ-2-methylbenzoato-κ^8^<i>O</i>:<i>O</i>'- bis[(ethanol-κ<i>O</i>)copper(II)]","","- C36 H40 Cu2 O10 -","- C36 H40 Cu2 O10 -","- C72 H80 Cu4 O20 -","2","1","CV5148","Ni, Sheng-Liang; Yu, Jie-Lian; Wang, Yuan-Ling; Lin, Jian-Li","Tetra-μ-2-methylbenzoato-κ^8^<i>O</i>:<i>O</i>'-bis[(ethanol-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2011","67","11","m1565","","10.1107/S1600536811042322","","","0.71073","MoKα","","0.1343","0.0497","","","0.099","0.1657","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232196","12.7848","0.0003","6.7767","0.0002","16.1702","0.0004","90","","105.081","0.002","90","","1352.72","0.06","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Chloroanilinium 4-methylbenzenesulfonate","","- C13 H14 Cl N O3 S -","- C13 H14 Cl N O3 S -","- C52 H56 Cl4 N4 O12 S4 -","4","1","CV5151","Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Yathirajan, H. S.; Narayana, B.","3-Chloroanilinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","11","o2925","","10.1107/S1600536811041043","","","0.71073","MoKα","","0.0462","0.0373","","","0.1018","0.1088","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232197","8.8396","0.0003","12.2251","0.0005","28.3202","0.0011","90","","95.018","0.002","90","","3048.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2'-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]- 1,1'-binaphthalen-2-ol methanol monosolvate","","- C36 H39 N O3 -","- C36 H39 N O3 -","- C144 H156 N4 O12 -","4","1","CV5152","He, Dian; Li, Chong; Wang, Xiaohong","(<i>E</i>)-2'-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]-1,1'-binaphthalen-2-ol methanol monosolvate","Acta Crystallographica Section E","2011","67","11","o2914","","10.1107/S1600536811040116","","","0.71073","MoKα","","0.1403","0.0569","","","0.136","0.1768","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232198","8.393","0.007","9.843","0.007","10.634","0.007","98.11","0.03","108.42","0.03","98.77","0.03","806.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquamanganese(II)]-bis[μ-1,3-bis(1<i>H</i>-imidazol-1- ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] dinitrate]","","- C28 H32 Mn N10 O8 -","- C28 H32 Mn N10 O8 -","- C28 H32 Mn N10 O8 -","1","0.5","CV5155","Wang, Xiao-Dan; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","<i>catena</i>-Poly[[[diaquamanganese(II)]-bis[μ-1,3-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] dinitrate]","Acta Crystallographica Section E","2011","67","11","m1480","","10.1107/S1600536811039882","","","0.71073","MoKα","","0.0824","0.049","","","0.1077","0.124","","","","","","1.068","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2232199","9.6067","0.0011","11.484","0.0013","11.9127","0.0014","73.652","0.001","84.202","0.002","69.26","0.001","1179.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(2,4-Difluorophenyl)[1-(1<i>H</i>-1,2,4-triazol-1-yl)cyclopropyl]methanone","","- C12 H9 F2 N3 O -","- C12 H9 F2 N3 O -","- C48 H36 F8 N12 O4 -","4","2","CV5156","Wu, Chunli; Lei, Wei; Ma, Huiyan; Qiao, Jiabin; Li, Aixing","(2,4-Difluorophenyl)[1-(1<i>H</i>-1,2,4-triazol-1-yl)cyclopropyl]methanone","Acta Crystallographica Section E","2011","67","11","o2913","","10.1107/S1600536811040037","","","0.71073","MoKα","","0.0654","0.0381","","","0.091","0.1106","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232200","9.2478","0.0004","9.4057","0.0004","12.7838","0.0005","78.811","0.002","79.235","0.001","79.469","0.002","1059.17","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>'-[(1<i>E</i>)-3-Bromo-5-chloro-2-hydroxybenzylidene]-4- <i>tert</i>-butylbenzohydrazide ethanol monosolvate","","- C20 H24 Br Cl N2 O3 -","- C20 H24 Br Cl N2 O3 -","- C40 H48 Br2 Cl2 N4 O6 -","2","1","CV5157","Thirugnanasundar, A.; Parthipan, K.; Anthonisamy, V. S. Xavier; Chakkaravarthi, G.; Rajagopal, G.","<i>N</i>'-[(1<i>E</i>)-3-Bromo-5-chloro-2-hydroxybenzylidene]-4-<i>tert</i>-butylbenzohydrazide ethanol monosolvate","Acta Crystallographica Section E","2011","67","11","o2857","","10.1107/S160053681104027X","","","0.71073","MoKα","","0.1121","0.052","","","0.1483","0.18","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232201","11.128","0.004","8.757","0.003","15.057","0.005","90","","105.093","0.006","90","","1416.7","0.8","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-{[4-(Dimethylamino)benzyl]amino}-5-(4-hydroxy-3,5-dimethoxyphenyl)- 5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol- 6(8<i>H</i>)-one methanol monosolvate","","- C31 H36 N2 O8 -","- C31 H36 N2 O8 -","- C62 H72 N4 O16 -","2","1","CV5160","Chen, Hong; Tian, Dan-Li; Chen, Hong; Shi, Shao-Yu; Ai, Ting","9-{[4-(Dimethylamino)benzyl]amino}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one methanol monosolvate","Acta Crystallographica Section E","2011","67","11","o3042","","10.1107/S1600536811043054","","","0.71073","MoKα","","0.0628","0.0519","","","0.1002","0.1071","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232202","6.563","0.003","9.87","0.004","10.876","0.004","90","","99.802","0.008","90","","694.2","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aquacopper(II)]-μ-iminodiacetato- κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']","","- C4 H7 Cu N O5 -","- C4 H7 Cu N O5 -","- C16 H28 Cu4 N4 O20 -","4","1","CV5163","Zhong, Qin; Wang, Yu-Hong; Zhang, Xue-Ting","<i>catena</i>-Poly[[aquacopper(II)]-μ~2~-iminodiacetato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']","Acta Crystallographica Section E","2011","67","11","m1528","","10.1107/S1600536811041286","","","0.71075","MoKα","","0.0425","0.0335","","","0.0785","0.0823","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232203","5.0714","0.0006","31.43","0.003","8.4128","0.0007","90","","94.388","0.001","90","","1337","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[1-(4-Chlorophenyl)ethylidene]benzohydrazide","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","CV5164","Zeng, Suyuan; Li, Lei","<i>N</i>'-[1-(4-Chlorophenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","11","o3043","","10.1107/S1600536811042887","","","0.71073","MoKα","","0.2241","0.0887","","","0.176","0.2054","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232204","13.167","0.009","6.463","0.005","8.19","0.006","90","","90","","90","","697","0.9","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","5-Chloro-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C6 H7 Cl N2 O -","- C6 H7 Cl N2 O -","- C24 H28 Cl4 N8 O4 -","4","0.5","CV5167","Shen, Yong-Jun; Xu, Mei; Fan, Chong-Guang","5-Chloro-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","11","o2936","","10.1107/S1600536811041407","","","0.71073","MoKα","","0.0311","0.0272","","","0.08","0.0814","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232205","8.855","0.0018","12.442","0.003","10.919","0.002","90","","91.75","0.03","90","","1202.4","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(benzyltrimethylammonium) dichromate(VI)","","- C20 H32 Cr2 N2 O7 -","- C20 H32 Cr2 N2 O7 -","- C40 H64 Cr4 N4 O14 -","2","0.5","CV5168","Jin, Lei; Liu, Ning","Bis(benzyltrimethylammonium) dichromate(VI)","Acta Crystallographica Section E","2011","67","11","m1586","","10.1107/S1600536811043091","","","0.71073","MoKα","","0.0464","0.0404","","","0.1046","0.1082","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232206","6.0099","0.0012","33.575","0.003","7.319","0.002","90","","94.235","0.002","90","","1472.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(2-Hydroxy-4-methoxybenzylidene)-3-nitrobenzohydrazide","","- C15 H13 N3 O5 -","- C15 H13 N3 O5 -","- C60 H52 N12 O20 -","4","1","CV5171","Tang, Chun-Bao","<i>N</i>'-(2-Hydroxy-4-methoxybenzylidene)-3-nitrobenzohydrazide","Acta Crystallographica Section E","2011","67","11","o2960","","10.1107/S160053681104178X","","","0.71073","MoKα","","0.1079","0.0564","","","0.1172","0.1401","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232207","8.023","0.002","11.852","0.004","16.318","0.005","90","","100.387","0.004","90","","1526.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-3,5-dihydroxybenzohydrazide dihydrate","","- C14 H15 Cl N2 O5 -","- C14 H15 Cl N2 O5 -","- C56 H60 Cl4 N8 O20 -","4","1","CV5172","Yuan, Ling; Nan, Yi; Li, Jing-Yuan; Huang, Xiu-Lan","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-3,5-dihydroxybenzohydrazide dihydrate","Acta Crystallographica Section E","2011","67","11","o3017","","10.1107/S1600536811042681","","","0.71073","MoKα","","0.0898","0.051","","","0.1175","0.1398","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232208","31.973","0.003","8.775","0.0008","22.6861","0.0002","90","","106.766","0.001","90","","6094.3","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8- tetrahydro-4<i>H</i>-chromene-3-carbonitrile","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C272 H256 N32 O48 -","16","2","CV5173","Kong, Lingqian; Ju, Xiuping; Qiao, Yan; Zhang, Jidong; Gao, Zhiqing","2-Amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section E","2011","67","11","o3100","","10.1107/S1600536811043674","","","0.71073","MoKα","","0.1603","0.0523","","","0.1084","0.1603","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232209","7.581","0.0004","9.2635","0.0004","21.4193","0.0009","90","","91.612","0.002","90","","1503.61","0.12","91","2","91","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-(1-Acryloyl-2,2,6,6-tetramethylpiperidin-4-yl)acrylamide","","- C15 H24 N2 O2 -","- C15 H24 N2 O2 -","- C60 H96 N8 O8 -","4","2","CV5174","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","<i>N</i>-(1-Acryloyl-2,2,6,6-tetramethylpiperidin-4-yl)acrylamide","Acta Crystallographica Section E","2011","67","11","o3024","o3025","10.1107/S1600536811042693","","","0.71073","MoKα","","0.031","0.0295","","","0.067","0.0692","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232210","8.2364","0.0005","16.9882","0.001","13.1568","0.0008","90","","99.102","0.001","90","","1817.74","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(6a<i>S</i>*,6b<i>S</i>*,11<i>R</i>*,11a<i>R</i>*)-6-(2-Furylmethyl)-5,12- dioxo-5,6,6a,6b,7,11,11a,12-octahydrofuro[3',2':5,6]isoindolo[2,1- <i>a</i>]quinazoline-11-carboxylic acid","","- C23 H18 N2 O6 -","- C23 H18 N2 O6 -","- C92 H72 N8 O24 -","4","1","CV5175","Obushak, Mykola D.; Horak, Yuri I.; Zaytsev, Vladimir P.; Motorygina, Ekaterina L.; Zubkov, Fedor I.; Khrustalev, Victor N.","(6a<i>S</i>*,6b<i>S</i>*,11<i>R</i>*,11a<i>R</i>*)-6-(2-Furylmethyl)-5,12-dioxo-5,6,6a,6b,7,11,11a,12-octahydrofuro[3',2':5,6]isoindolo[2,1-<i>a</i>]quinazoline-11-carboxylic acid","Acta Crystallographica Section E","2011","67","11","o3031","o3032","10.1107/S160053681104311X","","","0.71073","MoKα","","0.075","0.0595","","","0.1439","0.1596","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232211","25.021","0.003","8.8724","0.0008","16.3827","0.0016","90","","114.721","0.002","90","","3303.6","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4-[4-(dimethylamino)phenyl]-5-oxo-5,6,7,8-tetrahydro- 4<i>H</i>-chromene-3-carbonitrile","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C144 H152 N24 O16 -","8","1","CV5176","Qiao, Yan; Chen, Guifang; Kong, Lingqian; Ju, Xiuping; Gao, Zhiqing","2-Amino-4-[4-(dimethylamino)phenyl]-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section E","2011","67","11","o3067","","10.1107/S1600536811043662","","","0.71073","MoKα","","0.1298","0.06","","","0.1462","0.187","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232212","16.5435","0.0011","10.7359","0.0007","23.0706","0.0014","90","","107.333","0.001","90","","3911.5","0.4","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{1-[4-(benzyloxy)phenyl]-4,4,4-trifluorobutane-1,3- dionato(1-)}dipyridinecobalt(II)","","- C44 H34 Co F6 N2 O6 -","- C44 H34 Co F6 N2 O6 -","- C176 H136 Co4 F24 N8 O24 -","4","0.5","CV5178","Fan, Ling; Chen, Yongzhou; Wei, Xianhong; Yin, Guodong","Bis{1-[4-(benzyloxy)phenyl]-4,4,4-trifluorobutane-1,3-dionato(1{-})}dipyridinecobalt(II)","Acta Crystallographica Section E","2011","67","11","m1606","","10.1107/S1600536811043157","","","0.71073","MoKα","","0.0913","0.0512","","","0.1322","0.151","","","","","","1.086","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232213","8.1944","0.0006","19.3719","0.001","7.1241","0.0003","90","","111.025","0.006","90","","1055.6","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloroselanyl-3,5-diethyl-1<i>H</i>-pyrazol-2-ium chloride","","- C7 H12 Cl2 N2 Se -","- C7 H12 Cl2 N2 Se -","- C28 H48 Cl8 N8 Se4 -","4","1","CV5179","Seredyuk, Maksym; Znovjyak, Kateryna O.; Sliva, Tetyana Yu.; Haukka, Matti; Fritsky, Igor O.","4-Chloroselanyl-3,5-diethyl-1<i>H</i>-pyrazol-2-ium chloride","Acta Crystallographica Section E","2011","67","11","o3083","","10.1107/S1600536811043790","","","0.71073","MoKα","","0.0387","0.0258","","","0.0458","0.0491","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232214","15.251","0.006","10.555","0.004","10.541","0.004","90","","90.423","0.006","90","","1696.8","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[5-(4-bromophenyl)-4-(<i>tert</i>-butoxycarbonyl)pyrrolidine-2- carboxylato]copper(II) dihydrate","","- C32 H42 Br2 Cu N2 O10 -","- C32 H42 Br2 Cu N2 O10 -","- C64 H84 Br4 Cu2 N4 O20 -","2","0.5","CV5181","Kudryavtsev, Konstantin V.; Churakov, Andrei V.; Dogan, Ozdemir","Bis[5-(4-bromophenyl)-4-(<i>tert</i>-butoxycarbonyl)pyrrolidine-2-carboxylato]copper(II) dihydrate","Acta Crystallographica Section E","2011","67","11","m1623","","10.1107/S1600536811043893","","","0.71073","MoKα","","0.074","0.0655","","","0.1523","0.1606","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232215","21.165","0.005","10.609","0.003","15.641","0.004","90","","130.484","0.004","90","","2671.2","1.2","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-(azido-κ<i>N</i>)bis(methanol- κ<i>O</i>)-μ~3~-oxido-trichromium(III) methanol monosolvate","","- C15 H30 Cr3 N3 O16 -","- C15 H30 Cr3 N3 O16 -","- C60 H120 Cr12 N12 O64 -","4","1","DS2137","Jiang, Guo-Qing; Li, Jian-Hua; Wang, Miao; Shi, Yu-Jun","Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-(azido-κ<i>N</i>)bis(methanol-κ<i>O</i>)-μ~3~-oxido-trichromium(III) methanol monosolvate","Acta Crystallographica Section E","2011","67","11","m1483","","10.1107/S1600536811039699","","","0.71073","MoKα","","0.0704","0.0586","","","0.127","0.1299","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232216","9.6319","0.0016","11.945","0.002","13.581","0.004","108.627","0.004","101.655","0.004","105.044","0.003","1358.9","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","Bis{μ-(<i>E</i>)-methyl 4-[(2-carbamothioylhydrazinylidene)methyl]benzoate- κ^2^<i>S</i>:<i>S</i>}bis[iodido(triphenylphosphane-κ<i>P</i>)copper(I)]","","- C56 H52 Cu2 I2 N6 O4 P2 S2 -","- C56 H52 Cu2 I2 N6 O4 P2 S2 -","- C56 H52 Cu2 I2 N6 O4 P2 S2 -","1","0.5","DS2140","Mandal, Soumik; Nethi, Vamsidhar; Gupta, Parna","Bis{μ-(<i>E</i>)-methyl 4-[(2-carbamothioylhydrazinylidene)methyl]benzoate-κ^2^<i>S</i>:<i>S</i>}bis[iodido(triphenylphosphane-κ<i>P</i>)copper(I)]","Acta Crystallographica Section E","2011","67","11","m1535","","10.1107/S1600536811041845","","","0.71073","MoKα","","0.0601","0.036","","","0.0664","0.073","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232217","8.2127","0.0007","12.619","0.001","14.284","0.001","90","","90.434","0.008","90","","1480.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-<i>N</i>-(2,4-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","DS2145","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","2,4-Dichloro-<i>N</i>-(2,4-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2824","","10.1107/S1600536811039274","","","0.71073","MoKα","","0.1306","0.0747","","","0.1236","0.1431","","","","","","1.197","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232218","9.0756","0.0006","9.7406","0.0007","16.432","0.001","90","","98.157","0.006","90","","1437.92","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-<i>N</i>-(2,3-dichlorophenyl)benzenesulfonamide","","- C12 H7 Cl4 N O2 S -","- C12 H7 Cl4 N O2 S -","- C48 H28 Cl16 N4 O8 S4 -","4","1","DS2148","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","2,4-Dichloro-<i>N</i>-(2,3-dichlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2893","","10.1107/S1600536811040980","","","0.71073","MoKα","","0.0413","0.0308","","","0.0812","0.0854","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232219","5.3236","0.0001","16.834","0.0004","14.9845","0.0003","90","","96.5","0.001","90","","1334.24","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Heptane-1,7-diaminium dinitrate","","- C7 H20 N4 O6 -","- C7 H20 N4 O6 -","- C28 H80 N16 O24 -","4","1","EZ2262","Arderne, Charmaine","Heptane-1,7-diaminium dinitrate","Acta Crystallographica Section E","2011","67","11","o3007","","10.1107/S1600536811042917","","","0.71073","MoKα","","0.0569","0.0418","","","0.113","0.1242","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232220","12.7754","0.0004","25.7788","0.0008","9.5813","0.0003","90","","104.209","0.004","90","","3058.92","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrobenzoic acid‒<i>N</i>-(pyrimidin-2-yl)aniline (1/1)","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C136 H112 N32 O32 -","8","2","EZ2266","Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitrobenzoic acid‒<i>N</i>-(pyrimidin-2-yl)aniline (1/1)","Acta Crystallographica Section E","2011","67","11","o3080","o3081","10.1107/S1600536811044175","","","0.71073","MoKα","","0.0697","0.0474","","","0.104","0.1184","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232221","18.464","0.004","7.6392","0.0018","13.625","0.003","90","","126.999","0.004","90","","1534.8","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,5'-[(1,4-Phenylenedimethylene)bis(sulfanediyl)]bis(1- methyl-1<i>H</i>-1,2,3,4-tetrazole)","1-methyl-5-({4-[(1-methyl-1<i>H</i>-1,2,3,4-tetrazol-5- yl)sulfanylmethyl]phenyl}methylsulfanyl)-1<i>H</i>-1,2,3,4-tetrazole","","- C12 H14 N8 S2 -","- C12 H14 N8 S2 -","- C48 H56 N32 S8 -","4","0.5","FB2238","He, Dan-Feng; Deng, Jin-Jun; Zhou, Fu-Jiang; Liu, Hong-Sheng; Wang, Li-Min","5,5'-[(1,4-Phenylenedimethylene)bis(sulfanediyl)]bis(1-methyl-1<i>H</i>-1,2,3,4-tetrazole)","Acta Crystallographica Section E","2011","67","11","o3063","","10.1107/S1600536811043182","","","0.71073","MoKα","","0.0531","0.0402","","","0.1085","0.116","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232222","8.1956","0.0013","20.777","0.003","7.9715","0.0012","90","","104.24","0.002","90","","1315.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-2-nitro-4'-(trifluoromethyl)biphenyl","","- C14 H10 F3 N O3 -","- C14 H10 F3 N O3 -","- C56 H40 F12 N4 O12 -","4","1","FF2027","Hou, Yan-Jun; Li, Xin-Min; Chu, Wen-Yi; Sun, Zhi-Zhong","4-Methoxy-2-nitro-4'-(trifluoromethyl)biphenyl","Acta Crystallographica Section E","2011","67","11","o2915","","10.1107/S1600536811039092","","","0.71073","MoKα","","0.0882","0.0495","","","0.1347","0.1609","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232223","8.021","0.004","8.1696","0.0016","17.919","0.003","87.31","0.05","88.914","0.019","70.1","0.003","1102.9","0.6","293","2","293","","","","","","","","","7","P -1","-P 1","2","","poly[tetrakis[(4-chlorophenyl)methanaminium] [cadmate-μ-cyclohexaphosphorato]]","","- C28 H36 Cd Cl4 N4 O18 P6 -","- C28 H36 Cd Cl4 N4 O18 P6 -","- C28 H36 Cd Cl4 N4 O18 P6 -","1","0.5","FF2028","Abid, Sonia; Al-Deyab, S. Salem; Rzaigui, Mohamed","The one-dimensional coordination polymer poly[tetrakis[(4-chlorophenyl)methanaminium] [cadmate-μ-cyclohexaphosphorato]]","Acta Crystallographica Section E","2011","67","11","m1549","m1550","10.1107/S160053681104133X","","","0.71073","Mokα","","0.03","0.0272","","","0.0727","0.0743","","","","","","1.142","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232224","11.9868","0.0011","14.7498","0.0014","18.7887","0.0017","89.613","0.002","85.858","0.001","88.49","0.001","3312","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","Tetrakis(triphenylphosphane-κ<i>P</i>)silver(I) trifluoromethanesulfonate dichloromethane monosolvate","","- C74 H62 Ag Cl2 F3 O3 P4 S -","- C74 H62 Ag Cl2 F3 O3 P4 S -","- C148 H124 Ag2 Cl4 F6 O6 P8 S2 -","2","1","FF2029","Jiang, Yu-Hang; Cui, Li-Na; Huang, Xu; Jin, Qiong-Hua; Zhang, Cun-Lin","Tetrakis(triphenylphosphane-κ<i>P</i>)silver(I) trifluoromethanesulfonate dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","11","m1499","","10.1107/S1600536811040670","","","0.71073","MoKα","","0.133","0.0686","","","0.1681","0.2148","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232225","34.3212","0.001","7.7028","0.0002","18.4128","0.0005","90","","104.455","0.003","90","","4713.7","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","5-chloro-7-iodo-8-hydroxyquinolinium dichlorido(5-chloro-7-iodoquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)palladium(II) dihydrate","","- C18 H14 Cl4 I2 N2 O4 Pd -","- C18 H13 Cl4 I2 N2 O4 Pd -","- C144 H104 Cl32 I16 N16 O32 Pd8 -","8","1","FF2030","Vranec, Peter; Potočňák, Ivan","A potential anticancer agent: 5-chloro-7-iodo-8-hydroxyquinolinium dichlorido(5-chloro-7-iodoquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)palladium(II) dihydrate","Acta Crystallographica Section E","2011","67","11","m1508","m1509","10.1107/S1600536811040803","","","0.71073","MoKα","","0.0417","0.0322","","","0.078","0.0802","","","","","","1.143","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232226","9.0122","0.0014","9.0122","0.0014","6.5744","0.0013","90","","90","","120","","462.43","0.14","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Pentaterbium lithium tristannide","","- Li Sn3 Tb5 -","- Li Sn3 Tb5 -","- Li2 Sn6 Tb10 -","2","0.0833333","FF2031","Stetskiv, Andrij; Tarasiuk, Ivan; Misztal, Renata; Pavlyuk, Volodymyr","Pentaterbium lithium tristannide, Tb~5~LiSn~3~","Acta Crystallographica Section E","2011","67","11","i61","","10.1107/S1600536811041328","","","0.71073","MoKα","","0.0212","0.0207","","","0.0655","0.0658","","","","","","1.325","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232227","8.0268","0.0008","8.1242","0.0007","23.7912","0.0019","90","","90","","90","","1551.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-nitroanilinium bromide","2-Nitroanilinium bromide","","- C6 H7 Br N2 O2 -","- C6 H7 Br N2 O2 -","- C48 H56 Br8 N16 O16 -","8","1","FF2032","Anitha, R.; Athimoolam, S.; Bahadur, S. Asath; Gunasekaran, M.","2-Nitroanilinium bromide","Acta Crystallographica Section E","2011","67","11","o3035","","10.1107/S1600536811041948","","","0.71073","MoKα","","0.0408","0.0307","","","0.0735","0.0763","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232228","4.7692","0.0001","9.6442","0.0002","17.4049","0.0003","89.77","0.0001","87.589","0.001","80.061","0.001","787.82","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-(3-Fluorophenyl)-3-methylsulfanyl-5-phenyl-1-benzofuran","","- C21 H15 F O S -","- C21 H15 F O S -","- C42 H30 F2 O2 S2 -","2","1","FF2033","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(3-Fluorophenyl)-3-methylsulfanyl-5-phenyl-1-benzofuran","Acta Crystallographica Section E","2011","67","11","o3006","","10.1107/S1600536811042541","","","0.71073","MoKα","","0.0373","0.0337","","","0.0884","0.0914","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232229","7.6883","0.0006","22.8748","0.0018","10.1","0.0007","90","","100.493","0.009","90","","1746.6","0.2","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Dichlorido(furfurylamine-κ<i>N</i>)(η^6^-hexamethylbenzene)ruthenium(II)","","- C17 H25 Cl2 N O Ru -","- C17 H25 Cl2 N O Ru -","- C68 H100 Cl8 N4 O4 Ru4 -","4","1","FF2034","Garci, Amine; Thai, Trieu-Tien; Süss-Fink, Georg; Therrien, Bruno","Dichlorido(furfurylamine-κ<i>N</i>)(η^6^-hexamethylbenzene)ruthenium(II)","Acta Crystallographica Section E","2011","67","11","m1592","","10.1107/S1600536811043170","","","0.71073","MoKα","","0.0443","0.0328","","","0.0776","0.0805","","","","","","0.938","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232230","10.2613","0.0005","15.4294","0.0008","7.9951","0.0004","90","","98.889","0.001","90","","1250.63","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Diaquabis(dimethyl sulfoxide-κ<i>O</i>)disaccharinatocadmium","Diaquabis(dimethyl sulfoxide)bis(1,1,3-trioxo-2,3-dihydro-1λ^6^,2-benzothiazol-2-ido)cadmium","","- C18 H24 Cd N2 O10 S4 -","- C18 H24 Cd N2 O10 S4 -","- C36 H48 Cd2 N4 O20 S8 -","2","0.5","FF2035","Potwana, Fezile S. W.; Van Zyl, Werner E.","Diaquabis(dimethyl sulfoxide-κ<i>O</i>)disaccharinatocadmium","Acta Crystallographica Section E","2011","67","11","m1635","","10.1107/S1600536811044497","","","0.71073","MoKα","","0.0332","0.0253","","","0.0575","0.0608","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232231","15.0947","0.0016","13.3402","0.001","15.4847","0.0016","90","","116.026","0.011","90","","2801.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido[1-(2-chloroethyl)-3-(pyridin-4-ylmethyl-κ<i>N</i>)urea](η^6^- hexamethylbenzene)ruthenium(II) chloroform monosolvate","","- C22 H31 Cl6 N3 O Ru -","- C22 H31 Cl6 N3 O Ru -","- C88 H124 Cl24 N12 O4 Ru4 -","4","1","FF2037","Auzias, Mathieu; Süss-Fink, Georg; Therrien, Bruno","Dichlorido[1-(2-chloroethyl)-3-(pyridin-4-ylmethyl-κ<i>N</i>)urea](η^6^-hexamethylbenzene)ruthenium(II) chloroform monosolvate","Acta Crystallographica Section E","2011","67","11","m1613","","10.1107/S1600536811043728","","","0.71073","MoKα","","0.0623","0.0371","","","0.0832","0.0884","","","","","","0.885","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232232","7.5477","0.0003","7.5477","0.0003","53.351","0.004","90","","90","","90","","3039.3","0.3","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","[6-(Hydroxymethyl)pyridin-2-yl]methyl ferrocene-1-carboxylate","","- C18 H17 Fe N O3 -","- C18 H17 Fe N O3 -","- C144 H136 Fe8 N8 O24 -","8","1","FF2038","Auzias, Mathieu; Süss-Fink, Georg; Therrien, Bruno","[6-(Hydroxymethyl)pyridin-2-yl]methyl ferrocene-1-carboxylate","Acta Crystallographica Section E","2011","67","11","m1618","","10.1107/S1600536811043972","","","0.71073","MoKα","","0.0516","0.0378","","","0.0793","0.0826","","","","","","0.862","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232233","7.669","0.0003","9.0445","0.0003","12.2304","0.0004","90","","119.132","0.002","90","","741.02","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium pentaborate","","- B5 H2 K O9 -","- B5 H2 K O9 -","- B20 H8 K4 O36 -","4","1","FI2113","Wu, Qi","Potassium pentaborate","Acta Crystallographica Section E","2011","67","11","i67","","10.1107/S1600536811043807","","","0.71073","MoKα","","0.032","0.0297","","","0.0708","0.0722","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232234","4.2066","0.0002","8.4338","0.0003","11.5113","0.0006","91.122","0.004","90.195","0.003","97.033","0.001","405.24","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-(pyridin-2-yl)ethanolato]bis[bromidocopper(II)]","","- C14 H16 Br2 Cu2 N2 O2 -","- C14 H16 Br2 Cu2 N2 O2 -","- C14 H16 Br2 Cu2 N2 O2 -","1","0.5","FI2115","Shaikh, M. Mobin; Mathur, Saloni; Uddin, Md. Jamal","Bis[μ-2-(pyridin-2-yl)ethanolato]bis[bromidocopper(II)]","Acta Crystallographica Section E","2011","67","11","m1612","","10.1107/S1600536811043637","","","0.71073","MoKα","","0.0331","0.0314","","","0.0854","0.0874","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232235","14.5439","0.0003","17.5881","0.0004","7.7104","0.0002","90","","114.777","0.001","90","","1790.76","0.07","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>-Dimethylethane-1,2-diaminium bis(3-hydroxybenzoate)","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","1","FJ2425","Sarkar, Anindita; Cukrowski, Ignacy","<i>N</i>,<i>N</i>-Dimethylethane-1,2-diaminium bis(3-hydroxybenzoate)","Acta Crystallographica Section E","2011","67","11","o2901","","10.1107/S1600536811040578","","","0.71073","MoKα","","0.0474","0.0364","","","0.0729","0.0773","","","","","","0.96","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232236","10.1176","0.0013","14.9136","0.0018","12.2648","0.0015","90","","108.487","0.002","90","","1755.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-methyl-4-phenylpyrido[1,2-<i>a</i>]benzimidazole-3-carboxylate","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","FJ2449","Ge, Yan Qing; Ge, Hai Yan; Cao, Xiao Qun","Ethyl 2-methyl-4-phenylpyrido[1,2-<i>a</i>]benzimidazole-3-carboxylate","Acta Crystallographica Section E","2011","67","11","o2846","","10.1107/S1600536811039973","","","0.71073","MoKα","","0.046","0.0355","","","0.0875","0.0962","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232237","5.233","0.0004","13.47","0.001","11.176","0.0009","90","","97.291","0.002","90","","781.41","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Phenyl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-1-thio-α-D-<i>erythro</i>-hex-2-\ enopyranoside","","- C16 H18 O5 S -","- C16 H18 O5 S -","- C32 H36 O10 S2 -","2","1","FJ2451","Kinfe, Henok H.; Mebrahtu, Fanuel M.; Muller, Alfred","Phenyl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-1-thio-α-<small>D</small>-<i>erythro</i>-hex-2-enopyranoside","Acta Crystallographica Section E","2011","67","11","o2840","o2841","10.1107/S1600536811040165","","","0.71073","MoKα","","0.0253","0.0247","","","","0.0658","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232238","13.512","0.0012","12.765","0.001","13.591","0.0012","90","","103.933","0.002","90","","2275.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~2~-2,2'-diethyl-1,1'-(butane-1,4-diyl)diimidazole- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxyisophthalato- κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc]","","- C22 H26 N4 O5 Zn -","- C22 H26 N4 O5 Zn -","- C88 H104 N16 O20 Zn4 -","4","1","FJ2452","Liu, Ying-Ying; Wang, Xing; Yan, Yong-Sheng","Poly[[μ~2~-2,2'-diethyl-1,1'-(butane-1,4-diyl)diimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc]","Acta Crystallographica Section E","2011","67","11","m1477","","10.1107/S1600536811039377","","","0.71069","MoKα","","0.0575","0.0358","","","0.0778","0.0867","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232239","15.0626","0.0001","15.0626","0.0001","15.0626","0.0001","90","","90","","90","","3417.43","0.04","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","tricalcium oxynitride silicate","","- Ca2.894 N1.76 O4.24 Si2 -","- Ca2.894 N1.76 O4.24 Si2 -","- Ca69.456 N42.24 O101.76 Si48 -","24","1","FJ2455","Sharafat, Ali; Berastegui, Pedro; Esmaeilzadeh, Saeid; Eriksson, Lars; Grins, Jekabs","A cubic calcium oxynitrido-silicate, Ca~2.89~Si~2~N~1.76~O~4.24~","Acta Crystallographica Section E","2011","67","11","i66","","10.1107/S1600536811042607","","","0.71073","MoKα","","0.0398","0.0319","","","0.0667","0.0689","","","","","","1.22","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232240","22.323","0.004","15.494","0.004","14.331","0.003","90","","120.618","0.004","90","","4265.6","1.6","198","1","198","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(μ-diethylphosphido-κ^2^<i>P</i>:<i>P</i>)bis[bis(2,4,6- trimethylphenyl)indium(III)]","","- C44 H64 In2 P2 -","- C44 H64 In2 P2 -","- C176 H256 In8 P8 -","4","0.5","FJ2456","Briand, Glen G.; Decken, Andreas; Knackstedt, Dane A.; Martin, Caleb D.","Bis(μ-diethylphosphido-κ^2^<i>P</i>:<i>P</i>)bis[bis(2,4,6-trimethylphenyl)indium(III)]","Acta Crystallographica Section E","2011","67","11","m1578","","10.1107/S1600536811042668","","","0.71073","MoKα","","0.0586","0.0309","","","0.0649","0.0778","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232241","8.0899","0.0005","10.7562","0.0006","22.5093","0.0013","90","","90","","90","","1958.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-4,9-dimethyl-13-(pipyridin-1-ylmethyl)-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one","","- C20 H31 N O5 -","- C20 H31 N O5 -","- C80 H124 N4 O20 -","4","1","FJ2458","Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Elhakmaoui, Ahmed; Berraho, Moha","10α-Hydroxy-4,9-dimethyl-13-(pipyridin-1-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one","Acta Crystallographica Section E","2011","67","11","o3003","o3004","10.1107/S1600536811042644","","","0.71073","MoKα","","0.0611","0.0355","","","0.0753","0.0866","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232242","10.6857","0.0004","12.9413","0.0005","11.8793","0.0004","90","","113.471","0.002","90","","1506.83","0.1","90","0.5","90","0.5","101.3","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Trimethylsilyl)prop-2-ynyl <i>p</i>-toluenesulfonate","","- C13 H18 O3 S Si -","- C13 H18 O3 S Si -","- C52 H72 O12 S4 Si4 -","4","1","FJ2461","Schmitt, Devin C.; Morales, Guillermo A.; Fronczek, Frank R.; Watkins, Steven F.","3-(Trimethylsilyl)prop-2-ynyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2011","67","11","o3110","","10.1107/S1600536811043595","","","0.71073","MoKα","","","0.0453","","","","0.1075","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232243","8.6291","0.0003","27.5913","0.0014","11.7246","0.0005","90","","90","","90","","2791.5","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[2-(Cyclohexa-1,4-dien-1-yl)ethoxy]benzene-1,2-dicarbonitrile","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","FK2042","Keleşoğlu, Zeynep; Çelenk Kaya, Elif; Kaya, Afşin Ahmet; Kantekin, Halit; Büyükgüngör, Orhan","4-[2-(Cyclohexa-1,4-dien-1-yl)ethoxy]benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2011","67","11","o2989","","10.1107/S1600536811042164","","","0.71073","MoKα","","0.0788","0.0497","","","0.1239","0.1387","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232244","7.4252","0.0003","7.9601","0.0003","11.4375","0.0004","92.736","0.003","92.939","0.003","91.091","0.003","674.2","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-[3-(4-Nitrophenyl)propanoyl]urea acetic acid monosolvate","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C24 H30 N6 O12 -","2","1","FY2022","Merzouki, Soraya; Mouats, Chabane; Bendeif, El-Eulmi; Pillet, Sebastien; Bouchouit, Karim","1-[3-(4-Nitrophenyl)propanoyl]urea acetic acid monosolvate","Acta Crystallographica Section E","2011","67","11","o2892","","10.1107/S1600536811039729","","","0.71073","MoKα","","0.0451","0.0406","","","0.107","0.1106","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232245","9.038","0.002","10.515","0.002","11.869","0.002","90","","99.77","0.03","90","","1111.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(3-fluorophenyl)-1-(propan-2-ylidene)thiosemicarbazone","<i>N</i>-(3-fluorophenyl)-2-(propan-2-ylidene)hydrazinecarbothioamide","","- C10 H12 F N3 S -","- C10 H12 F N3 S -","- C40 H48 F4 N12 S4 -","4","1","FY2024","Miroslaw, Barbara; Szulczyk, Daniel; Koziol, Anna E.; Struga, Marta","4-(3-Fluorophenyl)-1-(propan-2-ylidene)thiosemicarbazone","Acta Crystallographica Section E","2011","67","11","o3010","","10.1107/S1600536811042504","","","1.54178","CuKα","","0.1096","0.0681","","","0.1843","0.2168","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232246","5.4292","0.0009","26.496","0.003","14.818","0.002","90","","90","","90","","2131.6","0.5","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,1'-[<i>m</i>-Phenylenebis(nitrilomethanylylidene)]dinaphthalen-2-ol‒1,1'- [<i>m</i>-phenylenebis(iminomethanylylidene)]dinaphthalen-2(1<i>H</i>)-one (0.58/0.42)","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","0.5","FY2025","Blagus, Anita; Kaitner, Branko","1,1'-[<i>m</i>-Phenylenebis(nitrilomethanylylidene)]dinaphthalen-2-ol‒1,1'-[<i>m</i>-phenylenebis(iminomethanylylidene)]dinaphthalen-2(1<i>H</i>)-one (0.58/0.42)","Acta Crystallographica Section E","2011","67","11","o2908","o2909","10.1107/S1600536811040918","","","0.71073","MoKα","","0.0721","0.0591","","","0.1545","0.1658","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232247","6.0909","0.0003","16.0581","0.0006","15.6579","0.0007","90","","95.2044","0.0014","90","","1525.16","0.12","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis[3,5-bis(2-pyridyl)pyrazol]-<i>trans</i>-bishydrogensulfato-dicopper(II) dimethanol solvate","Bis[μ-3,5-bis(2-pyridyl)pyrazolato]bis(hydrogensulfato)dicopper(II) methanol disolvate","","- C28 H28 Cu2 N8 O10 S2 -","- C28 H28 Cu2 N8 O10 S2 -","- C56 H56 Cu4 N16 O20 S4 -","2","0.5","GK2397","Mishima, Akio; Fuyuhiro, Akira; Kumagai, Hitoshi; Kawata, Satoshi","Bis[μ-3,5-bis(2-pyridyl)pyrazolato]bis(hydrogensulfato)dicopper(II) methanol disolvate","Acta Crystallographica Section E","2011","67","11","m1523","m1524","10.1107/S1600536811038700","","","0.71075","MoKα","","","0.0241","","","","0.0683","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232248","15.4091","0.0008","15.4436","0.0007","15.9883","0.0011","69.813","0.005","69.949","0.005","73.214","0.004","3291.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)iron(II) sulfate‒ 1<i>H</i>-imidazole (1/2)","","- C24 H32 Fe N16 O4 S -","- C24 H32 Fe N16 O4 S -","- C96 H128 Fe4 N64 O16 S4 -","4","2","GK2405","Nistor, Alexandra; Shova, Sergiu; Cazacu, Maria; Lazar, Alina","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)iron(II) sulfate‒1<i>H</i>-imidazole (1/2)","Acta Crystallographica Section E","2011","67","11","m1600","m1601","10.1107/S1600536811043169","","","0.71073","MoKα","","0.1423","0.0646","","","0.0855","0.1073","","","","","","0.853","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232249","7.2614","0.0005","7.9228","0.0008","13.6436","0.0015","87.724","0.004","74.719","0.006","82.007","0.006","749.81","0.13","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Dibromido{2-[(4-nitrophenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}zinc(II)","","- C12 H9 Br2 N3 O2 Zn -","- C12 H9 Br2 N3 O2 Zn -","- C24 H18 Br4 N6 O4 Zn2 -","2","1","GK2406","Salehzadeh, Sadegh; Khalaj, Mehdi; Dehghanpour, Saeed; Tarmoradi, Isaac","Dibromido{2-[(4-nitrophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}zinc(II)","Acta Crystallographica Section E","2011","67","11","m1556","","10.1107/S1600536811042231","","","0.71073","MoKα","","0.0746","0.0558","","","0.1276","0.1398","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232250","15.49","0.003","15.252","0.003","19.951","0.004","90","","90","","90","","4713.5","1.6","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[(2-{(<i>E</i>)-[(2,3- dihydroxypropyl)imino]methyl}phenolato)copper(II)] methanol monosolvate","","- C21 H28 Cl2 Cu2 N2 O7 -","- C21 H28 Cl2 Cu2 N2 O7 -","- C168 H224 Cl16 Cu16 N16 O56 -","8","1","GK2407","Li, Yong","Di-μ-chlorido-bis[(2-{(<i>E</i>)-[(2,3-dihydroxypropyl)imino]methyl}phenolato)copper(II)] methanol monosolvate","Acta Crystallographica Section E","2011","67","11","m1539","","10.1107/S1600536811041481","","","0.71073","MoKα","","0.0487","0.0411","","","0.088","0.0915","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232251","9.5043","0.0008","10.757","0.0007","15.1279","0.0012","90.501","0.006","105.873","0.007","114.601","0.007","1339.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diisopropyl 1-(4-methoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4- dihydropyridine-3,5-dicarboxylate","","- C28 H32 N2 O7 -","- C28 H32 N2 O7 -","- C56 H64 N4 O14 -","2","1","GK2409","Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Pawar, Milind P.; Joshi, Hitendra S.","Diisopropyl 1-(4-methoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2011","67","11","o2979","","10.1107/S1600536811042073","","","0.71073","MoKα","","0.1368","0.0691","","","0.17","0.2034","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232252","12.5102","0.0009","7.2054","0.0004","17.0881","0.0012","90","","107.178","0.008","90","","1471.63","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4- tetrahydropyrimidine-5-carboxylate","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C60 H64 N8 O16 S4 -","4","1","GK2420","Nayak, Susanta K.; Venugopala, K. N.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.; Row, Tayur N. Guru","Ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2011","67","11","o3069","o3070","10.1107/S1600536811043649","","","0.71073","MoKα","","0.0507","0.0379","","","0.0942","0.103","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232253","9.7211","0.0017","17.921","0.003","19.603","0.004","90","","91.333","0.003","90","","3414.2","1.1","566","2","566","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(4<i>H</i>-1,2,4-triazol-4-yl)pyridine dihydrate","","- C9 H11 N7 O2 -","- C9 H11 N7 O2 -","- C108 H132 N84 O24 -","12","3","GO2026","Jiao, De-quan; Han, Xiao Tong; Zhou, Qiong; Wang, Ying","2,6-Bis(4<i>H</i>-1,2,4-triazol-4-yl)pyridine dihydrate","Acta Crystallographica Section E","2011","67","11","o2944","","10.1107/S1600536811041687","","","0.71073","MoKα","","0.1173","0.0506","","","0.1074","0.1325","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232254","7.6274","0.0015","9.0614","0.0018","9.3838","0.0019","61.8","0.03","81.98","0.03","75.85","0.03","554","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium perchlorate","","- C8 H6 Cl F3 N2 O4 -","- C8 H6 Cl F3 N2 O4 -","- C16 H12 Cl2 F6 N4 O8 -","2","1","GO2027","Liu, Ming-Liang","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium perchlorate","Acta Crystallographica Section E","2011","67","11","o2821","","10.1107/S1600536811039298","","","0.71073","MoKα","","0.0686","0.0512","","","0.1293","0.1398","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232255","9.9684","0.0014","10.4129","0.0015","12.526","0.003","97.687","0.005","98.363","0.005","114.499","0.003","1143","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido[2-diphenylphosphanyl-<i>N</i>-(pyridin-3-ylmethyl)benzylidenamine- κ^2^<i>P</i>,<i>N</i>]platinum(II)","","- C25 H21 Cl2 N2 P Pt -","- C25 H21 Cl2 N2 P Pt -","- C50 H42 Cl4 N4 P2 Pt2 -","2","1","GO2028","Chiririwa, Haleden; Meijboom, Reinout","Dichlorido[2-diphenylphosphanyl-<i>N</i>-(pyridin-3-ylmethyl)benzylidenamine-κ^2^<i>P</i>,<i>N</i>]platinum(II)","Acta Crystallographica Section E","2011","67","11","m1497","","10.1107/S1600536811040086","","","0.71073","MoKα","","0.045","0.0324","","","0.0578","0.0621","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232256","12.0686","0.0007","13.4007","0.0007","17.8182","0.001","90","","105.819","0.001","90","","2772.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2,6- diisopropylaniline-κ^2^<i>P</i>,<i>N</i>}platinum(II)","","- C31 H32 Cl2 N P Pt -","- C31 H32 Cl2 N P Pt -","- C124 H128 Cl8 N4 P4 Pt4 -","4","1","GO2029","Chiririwa, Haleden; Meijboom, Reinout","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2,6-diisopropylaniline-κ^2^<i>P</i>,<i>N</i>}platinum(II)","Acta Crystallographica Section E","2011","67","11","m1496","","10.1107/S1600536811040098","","","0.71073","MoKα","","0.0251","0.0211","","","0.0496","0.0511","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232257","13.1894","0.0004","13.7384","0.0005","13.8299","0.0005","84.103","0.003","87.161","0.003","77.398","0.003","2431.73","0.15","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","Bromidotris(triphenylphosphane)silver acetonitrile monosolvate monohydrate","","- C56 H50 Ag Br N O P3 -","- C56 H48 Ag Br N O P3 -","- C112 H96 Ag2 Br2 N2 O2 P6 -","2","1","GO2030","Owczarzak, Anita M.; Kyros, Loukas; Hadjikakou, Sotiris K.; Kubicki, Maciej","Bromidotris(triphenylphosphane)silver acetonitrile monosolvate monohydrate","Acta Crystallographica Section E","2011","67","11","m1507","","10.1107/S1600536811040827","","","0.71073","MoKα","","0.0586","0.0429","","","0.096","0.1022","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232258","26.844","0.005","7.7071","0.0015","28.605","0.006","90","","114.52","0.03","90","","5384","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(3-methylanilinium) tetrachloridozincate chloride hemihydrate","","- C21 H31 Cl5 N3 O0.5 Zn -","- C21 H31 Cl5 N3 O0.5 Zn -","- C168 H248 Cl40 N24 O4 Zn8 -","8","1","GO2034","Liu, Ming-Liang","Tris(3-methylanilinium) tetrachloridozincate chloride hemihydrate","Acta Crystallographica Section E","2011","67","11","m1622","","10.1107/S1600536811044230","","","0.71073","MoKα","","0.1106","0.0595","","","0.1163","0.1349","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232259","5.307","0.0011","10.567","0.002","11.816","0.002","90.96","0.03","91.84","0.03","98.6","0.03","654.7","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Pentyl (<i>E</i>)-3-(3,4-dihydroxyphenyl)acrylate","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","GW2109","Wang, Jun; Gu, Shuangshuang; Zhang, Leixia; Wu, Fuan; Guo, Xijie","Pentyl (<i>E</i>)-3-(3,4-dihydroxyphenyl)acrylate","Acta Crystallographica Section E","2011","67","11","o2871","","10.1107/S1600536811040499","","","0.71073","MoKα","","0.0831","0.0566","","","0.154","0.1692","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232260","9.799","0.002","5.9064","0.001","10.755","0.003","90","","106.781","0.018","90","","596","0.2","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","indigo B","2-(3-oxoindolin-2-ylidene)indolin-3-one","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C32 H20 N4 O4 -","2","0.5","HB6323","Kettner, Florian; Hüter, Lucie; Schäfer, Johanna; Röder, Konstantin; Purgahn, Uta; Krautscheid, Harald","Selective crystallization of indigo B by a modified sublimation method and its redetermined structure","Acta Crystallographica Section E","2011","67","11","o2867","","10.1107/S1600536811040220","","","0.71073","MoKα","","","0.0364","","","","0.0955","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232261","14.272","0.003","8.633","0.003","15.338","0.003","90","","110.945","0.002","90","","1764.9","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2-{[1-(Pyridin-2-yl)ethylidene]aminomethyl}pyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc","","- C15 H13 N5 S2 Zn -","- C15 H13 N5 S2 Zn -","- C60 H52 N20 S8 Zn4 -","4","0.5","HB6391","Wang, Chen-Yi; Li, Jing-Fen; Wu, Xiang; Tu, Hai-Yu; Zhu, Pei-Fei","(2-{[1-(Pyridin-2-yl)ethylidene]aminomethyl}pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc","Acta Crystallographica Section E","2011","67","11","m1616","","10.1107/S1600536811043984","","","0.71073","MoKα","","0.0569","0.0403","","","0.1","0.1093","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232262","6.361","0.0005","9.497","0.001","11.021","0.0012","65.97","0.02","80.52","0.02","88.13","0.02","599.34","0.14","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","2-Methyl-1-phenyl-1<i>H</i>-indole-3-carbonitrile","","- C16 H12 N2 -","- C16 H12 N2 -","- C32 H24 N4 -","2","1","HB6411","Yang, Kun; Li, Pei-Fan; Liu, Yan; Fang, Zhi-Zhong","2-Methyl-1-phenyl-1<i>H</i>-indole-3-carbonitrile","Acta Crystallographica Section E","2011","67","11","o2902","","10.1107/S1600536811039250","","","0.71075","MoKα","","0.0604","0.0441","","","0.1124","0.1195","","","","","","0.983","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232263","9.0811","0.0001","11.73","0.0001","14.0859","0.0002","75.828","0.001","75.47","0.001","77.635","0.001","1389.49","0.03","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","5-[(<i>E</i>)-Benzylidene]-2-hydroxy-8,9-diphenyl-3,10- diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa- 1(19),12(20),13,15,17-pentaen-6-one","","- C38 H30 N2 O2 -","- C38 H30 N2 O2 -","- C76 H60 N4 O4 -","2","1","HB6415","Kumar, Raju Suresh; Osman, Hasnah; Kia, Yalda; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","5-[(<i>E</i>)-Benzylidene]-2-hydroxy-8,9-diphenyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(19),12(20),13,15,17-pentaen-6-one","Acta Crystallographica Section E","2011","67","11","o2877","o2878","10.1107/S1600536811040645","","","0.71073","MoKα","","0.0545","0.045","","","0.1127","0.1201","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232264","13.8754","0.0015","12.5349","0.0013","7.7093","0.0008","90","","93.566","0.002","90","","1338.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(4-Fluorobenzylidene)-2-(4-fluorophenyl)acetohydrazide","","- C15 H12 F2 N2 O -","- C15 H12 F2 N2 O -","- C60 H48 F8 N8 O4 -","4","1","HB6416","Fun, Hoong-Kun; Hemamalini, Madhukar; Sumangala, V.; Nagaraja, G. K.; Poojary, Boja","<i>N</i>'-(4-Fluorobenzylidene)-2-(4-fluorophenyl)acetohydrazide","Acta Crystallographica Section E","2011","67","11","o2835","","10.1107/S1600536811039845","","","0.71073","MoKα","","0.0816","0.045","","","0.1277","0.1525","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232265","8.575","0.002","11.067","0.003","16.333","0.005","99.001","0.006","96.164","0.005","102.259","0.006","1480","0.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","2-(2-bromoethyl)isoindoline-1,3-dione","2-(2-Bromoethyl)isoindoline-1,3-dione","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C60 H48 Br6 N6 O12 -","6","3","HB6417","Sun, Xiao-Qiang; An, Dong; Shao, Ying","2-(2-Bromoethyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","11","o2832","","10.1107/S1600536811039808","","","0.71073","MoKα","","0.1","0.0606","","","0.1622","0.1765","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232266","14.7694","0.0019","12.1602","0.0016","8.0929","0.001","90","","95.886","0.002","90","","1445.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-2-oxoethyl 3-(trifluoromethyl)benzoate","","- C16 H10 F4 O3 -","- C16 H10 F4 O3 -","- C64 H40 F16 O12 -","4","1","HB6418","Fun, Hoong-Kun; Arshad, Suhana; Garudachari, B.; Isloor, A. M.; Shivananda, Kammasandra N.","2-(4-Fluorophenyl)-2-oxoethyl 3-(trifluoromethyl)benzoate","Acta Crystallographica Section E","2011","67","11","o2836","","10.1107/S160053681103947X","","","0.71073","MoKα","","0.0978","0.0574","","","0.1536","0.1821","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232267","11.799","0.005","12.136","0.005","15.023","0.005","92.753","0.005","94.538","0.006","112.103","0.005","1979.8","1.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","2-Diethylamino-6-methylpyrimidin-4(3<i>H</i>)-one","","- C9 H15 N3 O -","- C9 H15 N3 O -","- C72 H120 N24 O8 -","8","4","HB6420","Wang, Mei-Yi","2-Diethylamino-6-methylpyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o2904","","10.1107/S1600536811040451","","","0.71073","MoKα","","0.0704","0.0452","","","0.0872","0.0968","","","","","","0.961","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232268","31.5519","0.0013","31.5519","0.0013","9.0255","0.0006","90","","90","","120","","7781.3","0.7","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","{2,2'-[<i>o</i>-Phenylenebis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) monohydrate","","- C20 H16 N2 Ni O3 -","- C20 H16 N2 Ni O3 -","- C360 H288 N36 Ni18 O54 -","18","1","HB6421","Ghaemi, Akbar; Fayyazi, Kazem; Keyvani, Bahram; Ng, Seik Weng; Tiekink, Edward R. T.","{2,2'-[<i>o</i>-Phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) monohydrate","Acta Crystallographica Section E","2011","67","11","m1481","m1482","10.1107/S1600536811039730","","","0.71073","MoKα","","0.0638","0.0406","","","0.104","0.1203","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232269","17.0923","0.0013","9.6719","0.0007","9.5592","0.0007","90","","92.399","0.001","90","","1578.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(4-Chlorobenzylidene)-2-[4-(methylsulfanyl)phenyl]acetohydrazide","","- C16 H15 Cl N2 O S -","- C16 H15 Cl N2 O S -","- C64 H60 Cl4 N8 O4 S4 -","4","1","HB6422","Fun, Hoong-Kun; Hemamalini, Madhukar; Sumangala, V.; Prasad, D. Jagadeesh; Poojary, Boja","<i>N</i>'-(4-Chlorobenzylidene)-2-[4-(methylsulfanyl)phenyl]acetohydrazide","Acta Crystallographica Section E","2011","67","11","o2847","","10.1107/S1600536811039857","","","0.71073","MoKα","","0.0628","0.0411","","","0.1076","0.1222","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232270","10.5247","0.0002","17.7765","0.0003","12.8773","0.0002","90","","96.877","0.002","90","","2391.91","0.07","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraisobutylpyridine-2,6-dicarboxamide","","- C23 H39 N3 O2 -","- C23 H39 N3 O2 -","- C92 H156 N12 O8 -","4","1","HB6423","Pojarová, Michaela; Dušek, Michal; Makrlík, Emanuel; Babain, Vasily A.; Vaňura, Petr","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraisobutylpyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2011","67","11","o2896","o2897","10.1107/S1600536811040608","","","1.5418","CuKα","","0.0436","0.0399","","","0.1074","0.1115","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232271","7.3035","0.0006","8.9731","0.0008","11.1943","0.001","103.578","0.002","103.408","0.002","96.934","0.001","681.67","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(1<i>H</i>-benzimidazol-1-yl)methane monohydrate","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C30 H28 N8 O2 -","2","1","HB6425","Shi, Tao; Jin, Shouwen; Zhu, Jianlong; Liu, YingJia; Shi, ChuanChuan","Bis(1<i>H</i>-benzimidazol-1-yl)methane monohydrate","Acta Crystallographica Section E","2011","67","11","o2943","","10.1107/S1600536811041572","","","0.71073","MoKα","","0.1178","0.0567","","","0.135","0.1806","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232272","9.3269","0.0003","11.8635","0.0004","14.2095","0.0004","75.904","0.002","74.726","0.002","77.627","0.002","1452.01","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-[(<i>E</i>)-4-Fluorobenzylidene]-8-(4-fluorophenyl)-2-hydroxy-9- phenyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa- 1(20),12,14,16,18-pentaen-6-one","","- C38 H28 F2 N2 O2 -","- C38 H28 F2 N2 O2 -","- C76 H56 F4 N4 O4 -","2","1","HB6426","Kumar, Raju Suresh; Osman, Hasnah; Rahim, A. S. Abdul; Hemamalini, Madhukar; Fun, Hoong-Kun","5-[(<i>E</i>)-4-Fluorobenzylidene]-8-(4-fluorophenyl)-2-hydroxy-9-phenyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(20),12,14,16,18-pentaen-6-one","Acta Crystallographica Section E","2011","67","11","o2879","o2880","10.1107/S1600536811040633","","","0.71073","MoKα","","0.0682","0.0438","","","0.1011","0.1148","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232273","14.3187","0.0008","12.8628","0.0007","16.1168","0.001","90","","103.79","0.003","90","","2882.8","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-Bis(2-methoxyphenyl)thiourea","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C120 H128 N16 O16 S8 -","8","1","HB6427","van Rooyen, Jason; Betz, Richard; van Brecht, Bernardus J. A. M.","1,3-Bis(2-methoxyphenyl)thiourea","Acta Crystallographica Section E","2011","67","11","o2889","","10.1107/S1600536811040852","","","0.71073","MoKα","","0.0481","0.0329","","","0.0839","0.0899","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232274","9.8627","0.0007","10.5674","0.0007","13.1565","0.0009","90","","90","","90","","1371.21","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β,8β-Dihydroxyeremophil-7(11)-en-8α,12-olide","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","HB6428","Zhang, Zhan-Xin; Fei, Dong-Qing","6β,8β-Dihydroxyeremophil-7(11)-en-8α,12-olide","Acta Crystallographica Section E","2011","67","11","o2957","","10.1107/S160053681104150X","","","0.71073","MoKα","","0.0425","0.0343","","","0.0827","0.0873","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232275","6.2917","0.0002","7.7893","0.0002","26.7497","0.0008","90","","98.234","0.002","90","","1297.43","0.07","100","1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-2-oxoethyl 4-hydroxybenzoate","","- C15 H11 Br O4 -","- C15 H11 Br O4 -","- C60 H44 Br4 O16 -","4","1","HB6429","Fun, Hoong-Kun; Loh, Wan-Sin; Garudachari, B.; Isloor, Arun M.; Satyanarayana, M. N.","2-(4-Bromophenyl)-2-oxoethyl 4-hydroxybenzoate","Acta Crystallographica Section E","2011","67","11","o2854","","10.1107/S1600536811040311","","","0.71073","MoKα","","0.0505","0.0336","","","0.0793","0.0863","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232276","14.9779","0.0018","7.3709","0.001","5.8157","0.001","90","","90","","90","","642.06","0.16","113","2","113","2","","","","","","","","6","P m n 21","P 2ac -2","31","","Diphenyl chlorothiophosphonate","","- C12 H10 Cl O2 P S -","- C12 H10 Cl O2 P S -","- C24 H20 Cl2 O4 P2 S2 -","2","0.5","HB6430","Zhang, Yan-Fei; Zhao, Pei-Hua; Liu, Jun-Jie; Zhao, Gui-Zhe","Diphenyl chlorothiophosphonate","Acta Crystallographica Section E","2011","67","11","o2861","","10.1107/S160053681104030X","","","0.71073","MoKα","","0.029","0.026","","","0.0586","0.0594","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232277","10.6287","0.0001","11.8672","0.0002","12.6588","0.0002","84.439","0.001","75.105","0.001","68.553","0.001","1436.19","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","14-Hydroxy-11-[(<i>E</i>)-4-methoxybenzylidene]-8-(4-methoxyphenyl)-5- thia-3,13- diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa- 1(22),15(23),16,18,20-pentaen-10-one","","- C36 H32 N2 O4 S -","- C36 H32 N2 O4 S -","- C72 H64 N4 O8 S2 -","2","1","HB6431","Kumar, Raju Suresh; Osman, Hasnah; Rahim, A. S. Abdul; Hemamalini, Madhukar; Fun, Hoong-Kun","14-Hydroxy-11-[(<i>E</i>)-4-methoxybenzylidene]-8-(4-methoxyphenyl)-5-thia-3,13-diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa-1(22),15(23),16,18,20-pentaen-10-one","Acta Crystallographica Section E","2011","67","11","o2881","o2882","10.1107/S160053681104061X","","","0.71073","MoKα","","0.0651","0.05","","","0.1279","0.1419","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232278","9.139","0.005","13.48","0.005","16.786","0.01","77.773","0.019","89.5","0.02","71.187","0.018","1909.1","1.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","μ-Propane-1,3-dithiolato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'- bis[dicarbonyl(triphenylphosphane-κ<i>P</i>)iron(II)](<i>Fe</i>—<i>Fe</i>)","","- C43 H36 Fe2 O4 P2 S2 -","- C43 H36 Fe2 O4 P2 S2 -","- C86 H72 Fe4 O8 P4 S4 -","2","1","HB6432","Yin, Bang-Shao; Li, Tian-Bao; Yang, Ming-Sheng","μ-Propane-1,3-dithiolato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'-bis[dicarbonyl(triphenylphosphane-κ<i>P</i>)iron(II)](<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2011","67","11","m1502","","10.1107/S1600536811040621","","","0.71073","MoKα","","0.1199","0.0752","","","0.1339","0.1457","","","","","","0.972","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232279","13.248","0.002","18.345","0.003","9.3908","0.0017","90","","105.283","0.003","90","","2201.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline)manganese(II)]- μ-adamantane-1,3-dicarboxylato] monohydrate]","","- C24 H26 Mn N2 O6 -","- C24 H26 Mn N2 O6 -","- C96 H104 Mn4 N8 O24 -","4","1","HB6433","Liu, Jian-Qiang; Huang, Yun-Sheng","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline)manganese(II)]-μ-adamantane-1,3-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2011","67","11","m1541","m1542","10.1107/S1600536811041900","","","0.71073","MoKα","","0.0702","0.0402","","","0.1046","0.1159","","","","","","0.832","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232280","13.9357","0.0014","15.1693","0.0015","16.2257","0.0017","76.735","0.001","72.565","0.001","81.201","0.002","3172","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Tris(3-amino-5,6-dimethyl-1,2,4-triazine-κ<i>N</i>^2^)silver(I) trifluromethanesulfonate‒3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","","- C21 H32 Ag F3 N16 O3 S -","- C21 H32 Ag F3 N16 O3 S -","- C84 H128 Ag4 F12 N64 O12 S4 -","4","2","HB6434","Jiang, Yu-Hang; Cui, Li-Na; Huang, Xu; Jin, Qiong-Hua; Zhang, Cun-Lin","Tris(3-amino-5,6-dimethyl-1,2,4-triazine-κ<i>N</i>^2^)silver(I) trifluromethanesulfonate‒3-amino-5,6-dimethyl-1,2,4-triazine (1/1)","Acta Crystallographica Section E","2011","67","11","m1526","m1527","10.1107/S1600536811040748","","","0.71073","MoKα","","0.1562","0.0687","","","0.1493","0.1917","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232281","28.5303","0.0003","7.4915","0.0001","15.4789","0.0002","90","","116.407","0.001","90","","2963.17","0.07","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(5<i>E</i>)-5-(2,4-Dichlorobenzylidene)-2-(piperidin-1-yl)- 1,3-thiazol-4(5<i>H</i>)-one","","- C15 H14 Cl2 N2 O S -","- C15 H14 Cl2 N2 O S -","- C120 H112 Cl16 N16 O8 S8 -","8","1","HB6435","Fun, Hoong-Kun; Hemamalini, Madhukar; Lobo, Prajwal L.; Prasad, D. Jagadeesh; Poojary, Boja","(5<i>E</i>)-5-(2,4-Dichlorobenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o2884","","10.1107/S1600536811040785","","","0.71073","MoKα","","0.0303","0.0261","","","0.0713","0.074","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232282","16.522","0.002","4.4381","0.0006","11.9457","0.0015","90","","103.478","0.003","90","","851.81","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-2-(4-Fluorobenzylidene)hydrazinecarboxamide","","- C8 H8 F N3 O -","- C8 H8 F N3 O -","- C32 H32 F4 N12 O4 -","4","1","HB6436","Fun, Hoong-Kun; Chia, Tze Shyang; Malladi, Shridhar; Isloor, Arun M.; Shivananda, Kammasandra N.","(2<i>E</i>)-2-(4-Fluorobenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2011","67","11","o2885","o2886","10.1107/S1600536811040797","","","0.71073","MoKα","","0.0743","0.0532","","","0.1722","0.2085","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232283","6.8137","0.0003","12.5753","0.0007","18.5071","0.0009","90","","91.825","0.003","90","","1584.96","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2<i>H</i>-1,3-Benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)- 1,3-thiazolidin-4-one","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","HB6438","Facchinetti, Victor; Gomes, Claudia R. B.; Cunico, Wilson; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","3-(2<i>H</i>-1,3-Benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","11","o2970","o2971","10.1107/S1600536811041262","","","0.71073","MoKα","","0.1525","0.0683","","","0.1428","0.1799","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232284","6.0078","0.0004","7.4897","0.0004","22.3145","0.0015","88.818","0.004","89.901","0.002","80.493","0.004","990.07","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","[1-(3-Chlorophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]methanol hemihydrate","","- C9 H9 Cl N3 O1.5 -","- C9 H9 Cl N3 O1.5 -","- C36 H36 Cl4 N12 O6 -","4","2","HB6439","Boechat, Nübia; de Ferreira, Maria; Bastos, Monica M.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","[1-(3-Chlorophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]methanol hemihydrate","Acta Crystallographica Section E","2011","67","11","o2934","o2935","10.1107/S1600536811041560","","","0.71073","MoKα","","0.091","0.0642","","","0.139","0.1625","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232285","9.285","0.003","16.843","0.005","12.66","0.004","90","","102.127","0.006","90","","1935.7","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aza-1-azoniabicyclo[2.2.2]octane‒2-aminobenzoate‒2-aminobenzoic acid (1/1/1)","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C80 H104 N16 O16 -","4","1","HB6440","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","4-Aza-1-azoniabicyclo[2.2.2]octane‒2-aminobenzoate‒2-aminobenzoic acid (1/1/1)","Acta Crystallographica Section E","2011","67","11","o2933","","10.1107/S1600536811041559","","","0.71073","MoKα","","0.065","0.056","","","0.123","0.128","","","","","","1.13","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232286","8.2974","0.0001","9.9316","0.0002","10.7251","0.0002","115.797","0.001","93.019","0.001","111.565","0.001","715.78","0.02","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","<i>N</i>-Benzyl-4-methyl-6-phenylpyrimidin-2-amine","","- C18 H17 N3 -","- C18 H17 N3 -","- C36 H34 N6 -","2","1","HB6441","Fun, Hoong-Kun; Hemamalini, Madhukar; Hazra, Anita; Goswami, Shyamaprosad","<i>N</i>-Benzyl-4-methyl-6-phenylpyrimidin-2-amine","Acta Crystallographica Section E","2011","67","11","o2932","","10.1107/S1600536811041365","","","0.71073","MoKα","","0.0432","0.038","","","0.0981","0.1029","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232287","13.865","0.004","15.398","0.004","14.459","0.005","90","","98.357","0.004","90","","3054.1","1.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>- [(diphenylphosphoryl)diphenylphosphane-1κ<i>P</i>]-μ-ethane-1,2-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'-diiron(I)(<i>Fe</i>—<i>Fe</i>)","","- C31 H24 Fe2 O6 P2 S2 -","- C31 H24 Fe2 O6 P2 S2 -","- C124 H96 Fe8 O24 P8 S8 -","4","1","HB6442","Liu, Xu-Feng; Yu, Xiao-Yong","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-[(diphenylphosphoryl)diphenylphosphane-1κ<i>P</i>]-μ-ethane-1,2-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'-diiron(I)(<i>Fe{—</i>Fe})","Acta Crystallographica Section E","2011","67","11","m1552","","10.1107/S1600536811042139","","","0.71073","MoKα","","0.0314","0.0255","","","0.0569","0.0585","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232288","7.6954","0.0016","28.345","0.003","8.3877","0.0018","90","","105.175","0.002","90","","1765.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>'-(3-Ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4- methylbenzohydrazidato-κ^2^<i>O</i>,<i>N</i>'](methanolato- κ<i>O</i>)oxidovanadium(V)","","- C18 H19 N2 O5 V -","- C18 H19 N2 O5 V -","- C72 H76 N8 O20 V4 -","4","1","HB6443","Wang, Chen-Yi; Wu, Xiang; Cao, Feng; Yuan, Cai-Jun","[<i>N</i>'-(3-Ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-methylbenzohydrazidato-κ^2^<i>O</i>,<i>N</i>'](methanolato-κ<i>O</i>)oxidovanadium(V)","Acta Crystallographica Section E","2011","67","11","m1538","","10.1107/S1600536811041547","","","0.71073","MoKα","","0.0672","0.0446","","","0.1009","0.1098","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232289","14.4623","0.0008","10.9202","0.0006","19.5592","0.001","90","","90","","90","","3089","0.3","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","1","HB6444","Horkaew, Jirapa; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","11","o2985","","10.1107/S1600536811041535","","","0.71073","MoKα","","0.0481","0.0391","","","0.102","0.1093","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232290","5.9222","0.0008","10.4859","0.0013","15.601","0.002","79.528","0.002","87.824","0.002","75.186","0.002","921","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[2-(5-bromo-1<i>H</i>-indol-3-yl)ethyl]- <i>N</i>,<i>N</i>'-(but-2-ene-1,4-diyl)bis(4-methylbenzenesulfonamide)","","- C38 H38 Br2 N4 O4 S2 -","- C38 H38 Br2 N4 O4 S2 -","- C38 H38 Br2 N4 O4 S2 -","1","0.5","HB6445","Lou, Yongbing","(<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[2-(5-bromo-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>,<i>N</i>'-(but-2-ene-1,4-diyl)bis(4-methylbenzenesulfonamide)","Acta Crystallographica Section E","2011","67","11","o2987","","10.1107/S1600536811041791","","","0.71073","MoKα","","0.0591","0.0497","","","0.1427","0.1517","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232291","15.7241","0.0005","6.8989","0.0002","20.66","0.0008","90","","97.196","0.003","90","","2223.52","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>trans</i>-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11- diene-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')bis(nitrito- κ<i>N</i>)cobalt(III) perchlorate hemihydrate","","- C16 H33 Cl Co N6 O8.5 -","- C16 H33 Cl Co N6 O8.5 -","- C64 H132 Cl4 Co4 N24 O34 -","4","2","HB6448","Roy, Tapashi G.; Nath, Babul C.; Begum, Khadija; Ng, Seik Weng; Tiekink, Edward R. T.","<i>trans</i>-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')bis(nitrito-κ<i>N</i>)cobalt(III) perchlorate hemihydrate","Acta Crystallographica Section E","2011","67","11","m1576","m1577","10.1107/S1600536811042784","","","0.71073","MoKα","","0.0566","0.0426","","","0.1153","0.135","","","","","","1.074","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232292","10.117","0.0003","16.6017","0.0004","11.991","0.0003","90","","108.818","0.003","90","","1906.35","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(4<i>E</i>,11<i>E</i>)-5,7,12,14-Tetrabenzyl-7,14-dimethyl- 1,4,8,11-tetraazacyclotetradeca-4,11-diene]copper(II) bis(perchlorate)","","- C40 H48 Cl2 Cu N4 O8 -","- C40 H48 Cl2 Cu N4 O8 -","- C80 H96 Cl4 Cu2 N8 O16 -","2","0.5","HB6449","Roy, Tapashi G.; Hazari, Saroj K. S.; Nath, Babul C.; Ng, Seik Weng; Tiekink, Edward R. T.","[(4<i>E</i>,11<i>E</i>)-5,7,12,14-Tetrabenzyl-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene]copper(II) bis(perchlorate)","Acta Crystallographica Section E","2011","67","11","m1581","m1582","10.1107/S1600536811042796","","","0.71073","MoKα","","0.0695","0.0591","","","0.1392","0.1453","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232293","6.162","0.004","9.616","0.005","10.656","0.007","114.279","0.019","92.42","0.05","96.5","0.04","569.1","0.6","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","1,4-Bis(4-<i>tert</i>-butylbenzyl)piperazine","","- C26 H38 N2 -","- C26 H38 N2 -","- C26 H38 N2 -","1","0.5","HB6451","Luo, Li-Juan; Weng, Jian-Quan","1,4-Bis(4-<i>tert</i>-butylbenzyl)piperazine","Acta Crystallographica Section E","2011","67","11","o3094","","10.1107/S1600536811044114","","","0.71073","MoKα","","0.0631","0.041","","","0.0931","0.0985","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232294","11.074","0.006","8.906","0.005","15.814","0.008","90","","91.815","0.012","90","","1558.9","1.4","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)benzylamine-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) dichloromethane monosolvate","","- C32 H29 Cl4 N Ni P2 -","- C32 H29 Cl4 N Ni P2 -","- C64 H58 Cl8 N2 Ni2 P4 -","2","1","HB6452","Yin, Bang-Shao; Li, Tian-Bao; Yang, Ming-Sheng","[<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)benzylamine-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","11","m1571","","10.1107/S1600536811042759","","","0.71073","MoKα","","0.0287","0.0258","","","0.0483","0.0486","","","","","","0.925","","","","has coordinates,has Fobs","211407","2020-10-21","18:00:00",""
"2232295","10.21","0.004","19.308","0.007","15.538","0.004","90","","122.669","0.018","90","","2578.5","1.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)propanamine- κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)","","- C27 H27 Cl2 N Ni P2 -","- C27 H27 Cl2 N Ni P2 -","- C108 H108 Cl8 N4 Ni4 P8 -","4","1","HB6453","Yin, Bang-Shao; Li, Tian-Bao; Yang, Ming-Sheng","[<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)propanamine-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)","Acta Crystallographica Section E","2011","67","11","m1572","","10.1107/S1600536811042760","","","0.71073","MoKα","","0.0814","0.0684","","","0.1667","0.1749","","","","","","1.15","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232296","5.9132","0.0004","8.5044","0.0006","27.8767","0.0018","90","","95.88","0.001","90","","1394.49","0.16","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-2-oxoethyl 4-methylbenzoate","","- C16 H13 Cl O3 -","- C16 H13 Cl O3 -","- C64 H52 Cl4 O12 -","4","1","HB6454","Fun, Hoong-Kun; Loh, Wan-Sin; Garudachari, B.; Isloor, Arun M.; Satyanarayana, M. N.","2-(4-Chlorophenyl)-2-oxoethyl 4-methylbenzoate","Acta Crystallographica Section E","2011","67","11","o3030","","10.1107/S1600536811042851","","","0.71073","MoKα","","0.0767","0.046","","","0.1237","0.1439","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232297","10.484","0.003","11.26","0.003","20.033","0.006","90","","90","","90","","2364.9","1.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3-diaminopyridinium salicylate","2,3-Diaminopyridinium 2-hydroxybenzoate","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","1","HB6455","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium 2-hydroxybenzoate","Acta Crystallographica Section E","2011","67","11","o3121","","10.1107/S1600536811044461","","","0.71073","MoKα","","0.0984","0.0499","","","0.117","0.1438","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232298","9.6185","0.0008","10.6596","0.0009","11.8537","0.001","67.377","0.002","75.777","0.001","69.934","0.002","1044.64","0.15","296","","296","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(1,3-diphenyl-1<i>H</i>- pyrazol-4-yl)prop-2-en-1-one","","- C24 H16 Cl2 N2 O -","- C24 H16 Cl2 N2 O -","- C48 H32 Cl4 N4 O2 -","2","1","HB6456","Fun, Hoong-Kun; Quah, Ching Kheng; Malladi, Shridhar; Isloor, Arun M.; Shivananda, Kammasandra N.","(<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","11","o3102","o3103","10.1107/S1600536811044382","","","0.71073","MoKα","","0.0725","0.043","","","0.116","0.1343","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232299","7.0407","0.0007","15.5775","0.0016","13.6244","0.0012","90","","101.491","0.002","90","","1464.3","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","2,3-Diaminopyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C48 H60 N12 O28 S4 -","4","1","HB6457","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2011","67","11","o3122","","10.1107/S160053681104445X","","","0.71073","MoKα","","0.0356","0.0326","","","0.0852","0.0874","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232300","7.7052","0.0001","21.4626","0.0004","7.845","0.0001","90","","119.473","0.001","90","","1129.46","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-diaminopyridinium hydrogen glutarate","2,3-Diaminopyridinium 4-carboxybutanoate","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C40 H60 N12 O16 -","4","1","HB6458","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium 4-carboxybutanoate","Acta Crystallographica Section E","2011","67","11","o3123","","10.1107/S1600536811044473","","","0.71073","MoKα","","0.0703","0.0495","","","0.1097","0.1232","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232301","7.807","0.0002","22.0878","0.0005","13.1278","0.0003","90","","101.42","0.002","90","","2218.93","0.09","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine- 3',2''-indan]-1,3,1''-trione","","- C28 H20 F3 N O3 -","- C28 H20 F3 N O3 -","- C112 H80 F12 N4 O12 -","4","1","HB6459","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Hemamalini, Madhukar; Fun, Hoong-Kun","1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2011","67","11","o3125","","10.1107/S1600536811044527","","","0.71073","MoKα","","0.1336","0.0703","","","0.1345","0.1615","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232302","7.8392","0.0001","21.5849","0.0005","12.7823","0.0003","90","","98.422","0.001","90","","2139.55","0.08","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4'-(4-Bromophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]- 1,3,1''-trione","","- C27 H20 Br N O3 -","- C27 H20 Br N O3 -","- C108 H80 Br4 N4 O12 -","4","1","HB6460","Wei, Ang Chee; Ali, Mohamed Ashraf; Ismail, Rusli; Hemamalini, Madhukar; Fun, Hoong-Kun","4'-(4-Bromophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2011","67","11","o3124","","10.1107/S1600536811044515","","","0.71073","MoKα","","0.0648","0.0409","","","0.0856","0.0937","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232303","5.829","0.0015","31.914","0.003","7.644","0.0011","90","","91.535","0.002","90","","1421.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","HB6461","Yang, De-Suo","<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","11","o3090","","10.1107/S1600536811043960","","","0.71073","MoKα","","0.1135","0.0603","","","0.1264","0.1466","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232304","11.4203","0.0014","9.9357","0.0013","19.656","0.003","90","","94.653","0.003","90","","2223","0.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[3-(4-Bromophenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1- (2,4-dichlorophenyl)prop-2-en-1-one","","- C24 H15 Br Cl2 N2 O -","- C24 H15 Br Cl2 N2 O -","- C96 H60 Br4 Cl8 N8 O4 -","4","1","HB6462","Fun, Hoong-Kun; Quah, Ching Kheng; Malladi, Shridhar; Isloor, Arun M.; Shivananda, Kammasandra N.","(<i>E</i>)-3-[3-(4-Bromophenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]-1-(2,4-dichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","11","o3104","","10.1107/S1600536811044424","","","0.71073","MoKα","","0.1486","0.052","","","0.11","0.1395","","","","","","0.977","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232305","11.5037","0.0009","9.9197","0.0008","19.6867","0.0016","90","","94.986","0.002","90","","2238","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl- 1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C25 H18 Cl2 N2 O2 -","- C25 H18 Cl2 N2 O2 -","- C100 H72 Cl8 N8 O8 -","4","1","HB6463","Fun, Hoong-Kun; Quah, Ching Kheng; Malladi, Shridhar; Hebbar, Raghavendra; Isloor, Arun M.","(<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","Acta Crystallographica Section E","2011","67","11","o3105","","10.1107/S1600536811044400","","","0.71073","MoKα","","0.0958","0.0534","","","0.13","0.1545","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232306","8.5065","0.0015","10.2176","0.0017","13.709","0.003","103.84","0.005","98.515","0.005","109.034","0.004","1060","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Methylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)- 7-(trifluoromethyl)quinoline","","- C23 H20 F3 N5 O -","- C23 H20 F3 N5 O -","- C46 H40 F6 N10 O2 -","2","1","HB6464","Fun, Hoong-Kun; Arshad, Suhana; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","4-(4-Methylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-(trifluoromethyl)quinoline","Acta Crystallographica Section E","2011","67","11","o3117","o3118","10.1107/S1600536811044370","","","0.71073","MoKα","","0.0969","0.0614","","","0.1815","0.2312","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232307","15.8781","0.001","3.7157","0.0002","18.0651","0.0013","90","","102.252","0.006","90","","1041.53","0.12","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>N</i>-(3-Chlorophenyl)-3-nitropyridin-2-amine","","- C11 H8 Cl N3 O2 -","- C11 H8 Cl N3 O2 -","- C44 H32 Cl4 N12 O8 -","4","1","HB6466","Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-(3-Chlorophenyl)-3-nitropyridin-2-amine","Acta Crystallographica Section E","2011","67","11","o3076","","10.1107/S1600536811044011","","","1.54184","CuKα","","0.0483","0.0405","","","0.1112","0.1191","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232308","14.4725","0.0011","6.7744","0.0005","31.31","0.002","90","","90","","90","","3069.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Bromophenyl)-4-[2-(4-nitrophenyl)hydrazinyl]furan-2(5<i>H</i>)-one","","- C16 H12 Br N3 O4 -","- C16 H12 Br N3 O4 -","- C128 H96 Br8 N24 O32 -","8","1","HB6467","Xiao, Zhu-Ping; Yi, Li-Cheng; Li, Jia-Liang; Zhang, Bo; Liao, Mei-Ling","3-(4-Bromophenyl)-4-[2-(4-nitrophenyl)hydrazinyl]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o3086","","10.1107/S1600536811043947","","","0.71073","MoKα","","0.0656","0.0361","","","0.0839","0.0958","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232309","7.7305","0.0005","27.4374","0.0018","12.6242","0.0009","90","","92.145","0.001","90","","2675.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Chloroanilino)-3-phenylfuran-2(5<i>H</i>)-one","","- C16 H12 Cl N O2 -","- C16 H12 Cl N O2 -","- C128 H96 Cl8 N8 O16 -","8","2","HB6469","Xiao, Zhu-Ping; Huang, Ze-Jun; Liu, Xiao-Yang; Xiang, Kai-Shuang; Yu, She-Rong","4-(2-Chloroanilino)-3-phenylfuran-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o3091","","10.1107/S1600536811044308","","","0.71073","MoKα","","0.0587","0.0475","","","0.1367","0.1442","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232310","8.1572","0.0002","11.2821","0.0003","12.4256","0.0003","90","","90","","90","","1143.53","0.05","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(<i>o</i>-Tolyl)piperazin-1-ium chloride","","- C11 H17 Cl N2 -","- C11 H17 Cl N2 -","- C44 H68 Cl4 N8 -","4","1","HB6474","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","4-(<i>o</i>-Tolyl)piperazin-1-ium chloride","Acta Crystallographica Section E","2011","67","11","o3115","","10.1107/S1600536811044394","","","0.71073","MoKα","","0.0402","0.0321","","","0.0863","0.092","","","","","","0.948","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232311","26.738","0.003","4.893","0.002","12.735","0.002","90","","90","","90","","1666.1","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>'-[(2-Methoxynaphthalen-1-yl)methylidene]-4-methylbenzohydrazide","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","HB6475","Meng, Xu-Feng; Wang, Dong-Yue; Ma, Jing-Jun","<i>N</i>'-[(2-Methoxynaphthalen-1-yl)methylidene]-4-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","11","o3109","","10.1107/S1600536811044291","","","0.71073","MoKα","","0.0711","0.043","","","0.0891","0.1004","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232312","12.419","0.0005","26.1925","0.0011","19.1638","0.0008","90","","107.407","0.001","90","","5948.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,10,16,22-Tetrakis(2-chloroacetoxy)-6,12,18,24-tetramethoxy- 2,8,14,20-tetrapentylresorcin[4]arene","","- C60 H76 Cl4 O12 -","- C60 H76 Cl4 O12 -","- C240 H304 Cl16 O48 -","4","1","HG5096","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","4,10,16,22-Tetrakis(2-chloroacetoxy)-6,12,18,24-tetramethoxy-2,8,14,20-tetrapentylresorcin[4]arene","Acta Crystallographica Section E","2011","67","11","o2907","","10.1107/S160053681103916X","","","0.71073","MoKα","","0.1073","0.0632","","","0.1718","0.1986","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232313","10.6066","0.0014","9.5667","0.0012","18.824","0.002","90","","94.264","0.007","90","","1904.8","0.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3,4-Dichlorophenyl)-4-phenylbenzo[<i>h</i>]quinoline","","- C25 H15 Cl2 N -","- C25 H15 Cl2 N -","- C100 H60 Cl8 N4 -","4","1","HG5101","Wu, Nan; Xu, Zhou","2-(3,4-Dichlorophenyl)-4-phenylbenzo[<i>h</i>]quinoline","Acta Crystallographica Section E","2011","67","11","o2850","","10.1107/S1600536811040049","","","0.71073","MoKα","","0.0488","0.0391","","","0.1057","0.1101","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232314","15.123","0.002","7.039","0.001","26.405","0.003","90","","95.25","0.01","90","","2799","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-allyl-3-phenylquinoxalin-2(1<i>H</i>)-one","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","2","HG5102","Benzeid, Hanane; Bouhfid, Rachid; Massip, Stephane; Leger, Jean Michel; Essassi, El Mokhtar","1-Allyl-3-phenylquinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o2990","","10.1107/S1600536811042474","","","1.5418","CuKα","","0.0639","0.0517","","","0.1401","0.1517","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232315","12.008","0.003","13.016","0.004","13.663","0.004","90","","97.154","0.004","90","","2118.8","1","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>E</i>)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3- [3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one","","- C22 H26 O9 -","- C22 H26 O9 -","- C88 H104 O36 -","4","2","HG5103","Chang, Liu-Shuan; Li, Chen-Yang; Zhao, Yan-Mei; Xu, Fang; Gu, Zheng-Yi","(<i>E</i>)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2011","67","11","o2931","","10.1107/S1600536811041213","","","0.71073","MoKα","","0.0443","0.0384","","","0.0734","0.0756","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232316","5.6271","0.0004","24.8915","0.0017","7.7752","0.0006","90","","108.69","0.02","90","","1031.62","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Creatininium hydrogen maleate","2-amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 3-carboxyprop-2-enoate","","- C8 H11 N3 O5 -","- C8 H11 N3 O5 -","- C32 H44 N12 O20 -","4","1","HG5104","Jahubar Ali, A.; Athimoolam, S.; Asath Bahadur, S.","Creatininium hydrogen maleate","Acta Crystallographica Section E","2011","67","11","o2905","","10.1107/S1600536811040050","","","0.71073","MoKα","","0.0395","0.0376","","","0.0995","0.1019","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232317","8.519","0.0001","37.9428","0.0005","8.5578","0.0001","90","","93.661","0.001","90","","2760.53","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium thiocyanate","","- C13 H24 N2 S -","- C13 H24 N2 S -","- C104 H192 N16 S8 -","8","2","HG5105","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","Dicyclohexylammonium thiocyanate: monoclinic polymorph","Acta Crystallographica Section E","2011","67","11","o2843","","10.1107/S1600536811040001","","","1.54184","CuKα","","0.0318","0.0299","","","0.077","0.0786","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232318","8.3387","0.0009","9.6266","0.001","13.9398","0.0014","90","","99.442","0.002","90","","1103.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,3-tribenzylindolin-2-one","1,3,3-Tribenzylindolin-2-one","","- C29 H25 N O -","- C29 H25 N O -","- C58 H50 N2 O2 -","2","1","HG5107","Liu, Yufang; Liu, Bo; Dong, Zhenming; Jin, Shuo","1,3,3-Tribenzylindolin-2-one","Acta Crystallographica Section E","2011","67","11","o2998","","10.1107/S1600536811042425","","","0.71073","MoKα","","0.0424","0.0329","","","0.0719","0.0762","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232319","10.5717","0.0004","17.7004","0.0006","12.8744","0.0004","90","","115.945","0.001","90","","2166.3","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[1-(3-Methylphenyl)-5-phenyl-4-phenylsulfonyl-1<i>H</i>-pyrazol-3-yl]ethanone","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C96 H80 N8 O12 S4 -","4","1","HG5108","Ghazzali, Mohamed; Abdel-Aziz, Hatem A.; Al-Farhan, Khalid; Ng, Seik Weng","1-[1-(3-Methylphenyl)-5-phenyl-4-phenylsulfonyl-1<i>H</i>-pyrazol-3-yl]ethanone","Acta Crystallographica Section E","2011","67","11","o2922","","10.1107/S1600536811041122","","","0.71073","MoKα","","0.0669","0.0409","","","0.1059","0.1314","","","","","","1.164","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232320","10.256","0.001","13.757","0.0014","11.983","0.0012","90","","104.827","0.005","90","","1634.4","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(3-Nitrophenyl)-9,10-dihydro-7<i>H</i>- benzo[<i>h</i>]cyclopenta[<i>b</i>]quinolin-8(11<i>H</i>)-one","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C88 H64 N8 O12 -","4","1","HG5109","Li, Tuanjie; Zhang, Honghong","7-(3-Nitrophenyl)-9,10-dihydro-7<i>H</i>-benzo[<i>h</i>]cyclopenta[<i>b</i>]quinolin-8(11<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o3068","","10.1107/S1600536811043546","","","0.71075","MoKα","","0.0718","0.0546","","","0.1202","0.1296","","","","","","1.123","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232321","7.0961","0.0003","7.5168","0.0004","12.1627","0.0006","100.067","0.004","94.751","0.004","115.011","0.005","569.87","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-[<i>N</i>-(3-Amino-4-nitrophenyl)carboximidoyl]phenol","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","HG5110","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","2-[<i>N</i>-(3-Amino-4-nitrophenyl)carboximidoyl]phenol","Acta Crystallographica Section E","2011","67","11","o2964","","10.1107/S160053681104181X","","","1.54184","CuKα","","0.0364","0.0346","","","0.1111","0.113","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232322","9.9002","0.0003","17.1297","0.0004","17.1976","0.0004","80.842","0.002","89.373","0.002","73.216","0.002","2754.77","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","4","HG5111","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","11","o2962","o2963","10.1107/S1600536811041808","","","1.54184","CuKα","","0.0466","0.0409","","","0.1113","0.1187","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232323","21.435","0.006","8.151","0.002","8.494","0.002","90","","90","","90","","1484","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-5-methyl-3-nitropyridine","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","2","HG5113","Zhang, Da-Tong; Huo, Ling-Yan","2-Chloro-5-methyl-3-nitropyridine","Acta Crystallographica Section E","2011","67","11","o3134","","10.1107/S160053681104400X","","","0.71073","MoKα","","0.048","0.0366","","","0.0869","0.0934","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232324","8.8177","0.0004","9.5279","0.0005","14.9394","0.0005","90","","99.024","0.003","90","","1239.59","0.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Nitrophenyl 4-bromobenzoate","","- C13 H8 Br N O4 -","- C13 H8 Br N O4 -","- C52 H32 Br4 N4 O16 -","4","1","HG5114","Moreno-Fuquen, Rodolfo","4-Nitrophenyl 4-bromobenzoate","Acta Crystallographica Section E","2011","67","11","o3114","","10.1107/S1600536811043923","","","0.71073","MoKα","","0.0644","0.0482","","","0.1213","0.1365","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232325","7.2818","0.0018","11.977","0.002","25.362","0.005","90","","90","","90","","2211.9","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-nitro-2-(p-tolyloxy)pyridine","2-(4-Methylphenoxy)-5-nitropyridine","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C96 H80 N16 O24 -","8","1","HG5116","Nasir, Shah Bakhtiar; Fairuz, Zainal Abidin; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Methylphenoxy)-5-nitropyridine","Acta Crystallographica Section E","2011","67","11","o3077","","10.1107/S1600536811044047","","","0.71073","MoKα","","0.0972","0.0474","","","0.1172","0.1466","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232326","7.1802","0.0009","7.6509","0.001","10.812","0.0014","106.957","0.002","91.859","0.002","95.72","0.002","564.12","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N-(4-Methyl-2-pyridyl)-m-toluidine","4-Methyl-<i>N</i>-(3-methylphenyl)pyridin-2-amine","","- C13 H14 N2 -","- C13 H14 N2 -","- C26 H28 N4 -","2","1","HG5117","Fairuz, Zainal Abidin; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","4-Methyl-<i>N</i>-(3-methylphenyl)pyridin-2-amine","Acta Crystallographica Section E","2011","67","11","o3078","","10.1107/S1600536811044059","","","0.71073","MoKα","","0.0832","0.053","","","0.1426","0.1679","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232327","6.7389","0.0012","8.9182","0.0016","21.072","0.004","90","","94.289","0.003","90","","1262.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(napthalen-2-yloxy)-5-nitropyridine","2-(Naphthalen-2-yloxy)-5-nitropyridine","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C60 H40 N8 O12 -","4","1","HG5118","Nasir, Shah Bakhtiar; Fairuz, Zainal Abidin; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","2-(Naphthalen-2-yloxy)-5-nitropyridine","Acta Crystallographica Section E","2011","67","11","o3079","","10.1107/S1600536811044060","","","0.71073","MoKα","","0.1131","0.0544","","","0.1575","0.1925","","","","","","0.937","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232328","7.3029","0.0009","13.211","0.002","17.224","0.003","90","","90","","90","","1661.7","0.4","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,4a<i>S</i>,4 b<i>S</i>,7<i>R</i>,10a<i>R</i>)- 4-Hydroxy-4a,7-dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a- decahydrophenanthren-1-one","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","HG5120","Caracelli, Ignez; Zukerman-Schpector, Julio; Machado, André T. Lousada; Brocksom, Timothy J.; Ferreira, M. Lúcia; Tiekink, Edward R. T.","(4<i>R</i>,4a<i>S</i>,4b<i>S</i>,7<i>R</i>,10a<i>R</i>)-4-Hydroxy-4a,7-dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthren-1-one","Acta Crystallographica Section E","2011","67","11","o3136","","10.1107/S1600536811044540","","","0.71073","MoKα","","0.0717","0.0369","","","0.0983","0.1128","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232329","7.7497","0.001","5.8826","0.0008","21.845","0.003","90","","92.459","0.002","90","","995","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(2-Methoxyphenoxy)pyrazine","2-(2-Methoxyphenoxy)pyrazine","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","HG5121","Nasir, Shah Bakhtiar; Fairuz, Zainal Abidin; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","2-(2-Methoxyphenoxy)pyrazine","Acta Crystallographica Section E","2011","67","11","o3088","","10.1107/S1600536811044321","","","0.71073","MoKα","","0.0577","0.0388","","","0.0953","0.1074","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232330","7.6285","0.0009","11.3242","0.0013","18.566","0.002","90","","95.717","0.002","90","","1595.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[<i>N</i>-(4- methylphenyl)pyridin-2-amine-κ<i>N</i>^1^]copper(II)}(<i>Cu</i>—<i>Cu</i>)","","- C32 H36 Cu2 N4 O8 -","- C32 H36 Cu2 N4 O8 -","- C64 H72 Cu4 N8 O16 -","2","0.5","HG5122","Fairuz, Zainal Abidin; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[<i>N</i>-(4-methylphenyl)pyridin-2-amine-κ<i>N</i>^1^]copper(II)}(<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section E","2011","67","11","m1636","","10.1107/S1600536811044333","","","0.71073","MoKα","","0.0965","0.077","","","0.1983","0.2085","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232331","11.0738","0.0009","7.5002","0.0006","18.0539","0.0014","90","","100.579","0.001","90","","1474","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2- phenoxypyrimidine-κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>)","","- C28 H28 Cu2 N4 O10 -","- C28 H28 Cu2 N4 O10 -","- C56 H56 Cu4 N8 O20 -","2","0.5","HG5123","Fairuz, Zainal Abidin; Abdullah, Zanariah; Nasir, Shah Bakhtiar; Ng, Seik Weng; Tiekink, Edward R. T.","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-phenoxypyrimidine-κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section E","2011","67","11","m1637","","10.1107/S1600536811044345","","","0.71073","MoKα","","0.0619","0.0563","","","0.1698","0.1748","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232332","9.0093","0.0001","8.2137","0.0001","28.6398","0.0003","90","","98.427","0.001","90","","2096.45","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzylsulfanyl-4-pentyl-6-(phenylsulfanyl)pyrimidine-5-carbonitrile","","- C23 H23 N3 S2 -","- C23 H23 N3 S2 -","- C92 H92 N12 S8 -","4","1","HG5126","El-Emam, Ali A.; Al-Deeb, Omar A.; Al-Turkistani, Abdulghafoor A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Benzylsulfanyl-4-pentyl-6-(phenylsulfanyl)pyrimidine-5-carbonitrile","Acta Crystallographica Section E","2011","67","11","o3126","","10.1107/S1600536811044746","","","1.54184","CuKα","","0.0315","0.0296","","","0.0816","0.0836","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232333","16.7262","0.0002","12.5663","0.0001","13.5562","0.0002","90","","102.473","0.001","90","","2782.08","0.06","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>'-(Adamantan-2-ylidene)thiophene-2-carbohydrazide","","- C15 H18 N2 O S -","- C15 H18 N2 O S -","- C120 H144 N16 O8 S8 -","8","1","HG5127","Kadi, Adnan A.; Alanzi, Amer M.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>'-(Adamantan-2-ylidene)thiophene-2-carbohydrazide","Acta Crystallographica Section E","2011","67","11","o3127","","10.1107/S1600536811044758","","","1.54184","CuKα","","0.0343","0.0324","","","0.0854","0.087","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232334","15","0.003","17.484","0.004","25.158","0.005","90","","90.98","0.03","90","","6597","2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Trirubidium‒tris-18-crown-6-heptaantimonide‒ammonia (1/4)","Tris[(1,4,7,10,13,16-hexaoxacyclooctadecane)rubidium] heptaantimonide‒ ammonia (1/4)","","- C36 H84 N4 O18 Rb3 Sb7 -","- C36 H84 N4 O18 Rb3 Sb7 -","- C144 H336 N16 O72 Rb12 Sb28 -","4","1","HP2013","Mutzbauer, Fabian; Korber, Nikolaus","Tris[(1,4,7,10,13,16-hexaoxacyclooctadecane)rubidium] heptaantimonide‒ammonia (1/4)","Acta Crystallographica Section E","2011","67","11","m1551","","10.1107/S1600536811041237","","","0.71073","MoKα","","0.054","0.0361","","","0.0779","0.0825","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232335","16.371","0.003","8.8526","0.0018","9.5041","0.0019","90","","94.18","0.03","90","","1373.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(acetato-κ<i>O</i>)[4-(1<i>H</i>-pyrazol-3- yl)pyridine-κ<i>N</i>^1^]zinc]-μ-acetato-κ^2^<i>O</i>:<i>O</i>']","","- C12 H13 N3 O4 Zn -","- C12 H7 N3 O4 Zn -","- C48 H28 N12 O16 Zn4 -","4","1","HY2465","Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Yi, Zhi-Wen","<i>catena</i>-Poly[[(acetato-κ<i>O</i>)[4-(1<i>H</i>-pyrazol-3-yl)pyridine-κ<i>N</i>^1^]zinc]-μ-acetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","11","m1512","","10.1107/S1600536811040190","","","0.71073","MoKα","","0.0784","0.0557","","","0.1219","0.1314","","","","","","1.062","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2232336","21.259","0.002","15.7647","0.0017","20.949","0.003","90","","148.768","0.005","90","","3640.4","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[tris[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] tris(perchlorate) dihydrate]","","- C30 H28 Ag3 Cl3 N6 O14 -","- C30 H28 Ag3 Cl3 N6 O14 -","- C120 H112 Ag12 Cl12 N24 O56 -","4","0.5","HY2472","Hu, Xiao-Ming; Li, Fu-An","<i>catena</i>-Poly[[tris[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']] tris(perchlorate) dihydrate]","Acta Crystallographica Section E","2011","67","11","m1505","","10.1107/S1600536811040153","","","0.71073","MoKα","","0.0839","0.0615","","","0.1529","0.1696","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232337","9.476","0.002","14.846","0.004","15.724","0.004","90","","90","","90","","2212.1","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[μ-2,2'-diethyl-1,1'-(propane-1,3-diyl)di-1<i>H</i>-imidazole- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-hydroxyisophthalato- κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc]","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C84 H96 N16 O20 Zn4 -","4","1","HY2473","Liu, Ying-Ying; Wang, Chun-Jie; Yan, Yong-Sheng","Poly[[μ-2,2'-diethyl-1,1'-(propane-1,3-diyl)di-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc]","Acta Crystallographica Section E","2011","67","11","m1544","","10.1107/S1600536811041456","","","0.71073","MoKα","","0.0599","0.0503","","","0.1298","0.1359","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232338","7.646","0.005","10.34","0.004","11.375","0.004","78.751","0.003","73.436","0.004","82.882","0.005","843.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaquabis(μ~3~-3-carboxylato-4-hydroxybenzenesulfonato)tri-μ~2~- pyrazine-tetrasilver(I)] dihydrate]","","- C26 H28 Ag4 N6 O16 S2 -","- C26 H28 Ag4 N6 O16 S2 -","- C26 H28 Ag4 N6 O16 S2 -","1","0.5","HY2474","Liu, Ying-Ying; Wang, Shen-Tang; Yan, Yong-Sheng","Poly[[diaquabis(μ~3~-3-carboxylato-4-hydroxybenzenesulfonato)tri-μ~2~-pyrazine-tetrasilver(I)] dihydrate]","Acta Crystallographica Section E","2011","67","11","m1545","","10.1107/S1600536811041626","","","0.71073","MoKα","","0.0563","0.0329","","","0.0649","0.0725","","","","","","0.88","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232339","8.4729","0.0004","14.149","0.0008","12.528","0.0006","90","","100.152","0.004","90","","1478.38","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromidobis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II)","","- C10 H16 Br2 Co N4 -","- C10 H16 Br2 Co N4 -","- C40 H64 Br8 Co4 N16 -","4","1","HY2475","Tomyn, Stefania; Pavlenko, Vadim A.; Gumienna-Kontecka, Elżbieta; Penkova, Larysa; Kotova, Natalia V.","Dibromidobis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II)","Acta Crystallographica Section E","2011","67","11","m1491","","10.1107/S1600536811039560","","","0.71073","MoKα","","0.0601","0.035","","","0.0659","0.0721","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232340","10.0597","0.0009","10.7824","0.001","13.7261","0.0013","79.141","0.003","78.801","0.001","86.578","0.003","1433.9","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tetraaquatetrakis[μ~3~-5-(pyridine-4- carboxamido)isophthalato]cobalt(II)diholmium(III)] tetrahydrate]","","- C56 H48 Co Ho2 N8 O28 -","- C56 H48 Co Ho2 N8 O28 -","- C56 H48 Co Ho2 N8 O28 -","1","0.5","HY2478","Deng, Yi-Fang; Chen, Man-Sheng; Zhang, Chun-Hua; Nie, Xue","Poly[[tetraaquatetrakis[μ~3~-5-(pyridine-4-carboxamido)isophthalato]cobalt(II)diholmium(III)] tetrahydrate]","Acta Crystallographica Section E","2011","67","11","m1574","m1575","10.1107/S1600536811042814","","","0.71073","MoKα","","0.0473","0.0459","","","0.1211","0.1226","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232341","12.8617","0.0012","12.8617","0.0012","6.2122","0.0009","90","","90","","120","","889.96","0.17","120","2","120","2","","","","","","","","5","P 6","P 6","168","","<i>fac</i>-Tris(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(III)","","- C18 H12 Co N3 O6 -","- C18 H12 Co N3 O6 -","- C36 H24 Co2 N6 O12 -","2","0.333333","HY2479","Golenia, Irina A.; Boyko, Alexander N.; Kotova, Natalia V.; Haukka, Matti; Kalibabchuk, Valentina A.","<i>fac</i>-Tris(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(III)","Acta Crystallographica Section E","2011","67","11","m1596","m1597","10.1107/S1600536811043303","","","0.71073","MoKα","","0.0753","0.0682","","","0.1873","0.1972","","","","","","1.158","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232342","10.0147","0.0008","21.8935","0.0018","10.7478","0.0008","90","","94.192","0.002","90","","2350.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>SP</i>-4-2)-Chlorido{<i>N</i>-[2- (diphenylphosphanyl)benzylidene]benzylamine- κ^2^<i>P</i>,<i>N</i>}(methyl)palladium(II)","","- C27 H25 Cl N P Pd -","- C27 H25 Cl N P Pd -","- C108 H100 Cl4 N4 P4 Pd4 -","4","1","IM2317","Chiririwa, Haleden; Meijboom, Reinout","(<i>SP</i>-4-2)-Chlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]benzylamine-κ^2^<i>P</i>,<i>N</i>}(methyl)palladium(II)","Acta Crystallographica Section E","2011","67","11","m1498","","10.1107/S1600536811040074","","","0.71073","MoKα","","0.0432","0.0338","","","0.0859","0.0908","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232343","9.031","0.005","10.752","0.006","19.217","0.005","90","","100.738","0.005","90","","1833.3","1.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Phenylsulfonyl-7<i>H</i>-benzofurano[2,3-<i>b</i>]carbazole","","- C24 H15 N O3 S -","- C24 H15 N O3 S -","- C96 H60 N4 O12 S4 -","4","1","IM2318","Panchatcharam, R.; Dhayalan, V.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.","7-Phenylsulfonyl-7<i>H</i>-benzofurano[2,3-<i>b</i>]carbazole","Acta Crystallographica Section E","2011","67","11","o2829","","10.1107/S1600536811039705","","","0.71073","MoKα","","0.0793","0.041","","","0.0961","0.112","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232344","8.0224","0.0002","12.1532","0.0002","15.4147","0.0004","90","","90","","90","","1502.9","0.06","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>R</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-3-Chloro-2,8- dihydroxy-3,7-dimethyl-11-methylidene-13-oxabicyclo[8.3.0]tridec-6-en-12-one","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C60 H84 Cl4 O16 -","4","1","IM2319","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Elhakmaoui, Ahmed; Akssira, Mohamed; Berraho, Moha","(1<i>S</i>,2<i>R</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-3-Chloro-2,8-dihydroxy-3,7-dimethyl-11-methylidene-13-oxabicyclo[8.3.0]tridec-6-en-12-one","Acta Crystallographica Section E","2011","67","11","o2826","o2827","10.1107/S1600536811039717","","","0.71073","MoKα","","0.0282","0.0265","","","0.0681","0.0695","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232345","16.961","0.003","3.953","0.0008","17.698","0.003","90","","93.168","0.011","90","","1184.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Bromophenyl)quinazolin-4(3<i>H</i>)-one","","- C14 H9 Br N2 O -","- C14 H9 Br N2 O -","- C56 H36 Br4 N8 O4 -","4","1","IM2320","Srinivasan, T.; Suhitha, S.; Priya, M. Gnana Ruba; Girija, K.; Chandran, N. Ravi; Velmurugan, D.","3-(4-Bromophenyl)quinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o2928","","10.1107/S1600536811040736","","","0.71073","MoKα","","0.0797","0.036","","","0.0806","0.0941","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232346","9.3157","0.0004","10.5376","0.0004","13.4474","0.0006","101.338","0.002","100.087","0.002","100.57","0.002","1241.42","0.09","124","2","124","2","","","","","","","","4","P -1","-P 1","2","","2-(3-Cyano-4-{7-[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]hepta- 1,3,5-trienyl}-5,5-dimethyl-2,5-dihydrofuran-2-ylidene)malononitrile","","- C29 H28 N4 O2 -","- C29 H28 N4 O2 -","- C58 H56 N8 O4 -","2","1","IM2321","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","2-(3-Cyano-4-{7-[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]hepta-1,3,5-trienyl}-5,5-dimethyl-2,5-dihydrofuran-2-ylidene)malononitrile","Acta Crystallographica Section E","2011","67","11","o3026","","10.1107/S1600536811042036","","","0.71073","MoKα","","0.0624","0.0455","","","0.1175","0.13","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232347","26.1947","0.0017","9.7258","0.0005","21.2247","0.0014","90","","127.411","0.001","90","","4295","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~-biphenyl-3,3'-dicarboxylato)(1,10-phenanthroline)cadmium]","","- C26 H16 Cd N2 O4 -","- C26 H16 Cd N2 O4 -","- C208 H128 Cd8 N16 O32 -","8","1","IM2322","Qiu, Yu-E","Poly[(μ~3~-biphenyl-3,3'-dicarboxylato)(1,10-phenanthroline)cadmium]","Acta Crystallographica Section E","2011","67","11","m1557","","10.1107/S1600536811042085","","","0.71073","MoKα","","0.0478","0.0328","","","0.0683","0.0745","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232348","32.9827","0.0006","4.55881","0.00009","29.3435","0.0005","90","","109.481","0.002","90","","4159.56","0.14","206","2","206","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Decyl-6-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C17 H25 N3 O3 -","- C17 H25 N3 O3 -","- C136 H200 N24 O24 -","8","1","IM2324","Ouzidan, Younes; Kandri Rodi, Youssef; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","1-Decyl-6-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o2937","","10.1107/S1600536811041389","","","1.54184","CuKα","","0.0477","0.0411","","","0.1205","0.1257","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232349","10.03","0.002","19.223","0.003","7.9652","0.0017","90","","103.073","0.003","90","","1495.9","0.5","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-benzoylindolizine-1-carboxylate","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","IM2326","Gu, Wei-Jin; Zhuang, Jin; Jiang, Yu-Liang; Wang, Bing-Xiang","Ethyl 3-benzoylindolizine-1-carboxylate","Acta Crystallographica Section E","2011","67","11","o3033","","10.1107/S160053681104284X","","","0.71073","MoKα","","0.0897","0.0476","","","0.1105","0.1288","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232350","73.342","0.004","9.6065","0.0004","11.8737","0.0007","90","","92.432","0.004","90","","8358.2","0.8","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1<i>R</i>,2<i>S</i>)-Methyl 1-(4-chlorophenyl)-3-oxo-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2- carboxylate 0.2-hydrate","","- C19 H14.4 Cl N O3.2 -","- C19 H14 Cl N O3.2 -","- C380 H280 Cl20 N20 O64 -","20","5","IM2327","Raja, Sadiya; Bolte, Michael","(1<i>R</i>,2<i>S</i>)-Methyl 1-(4-chlorophenyl)-3-oxo-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2-carboxylate 0.2-hydrate","Acta Crystallographica Section E","2011","67","11","o2991","","10.1107/S1600536811042358","","","0.71073","MoKα","","0.0774","0.0552","","","0.1353","0.1443","","","","","","0.9","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2232351","10.428","0.0005","13.4075","0.0006","21.5565","0.0008","90","","90","","90","","3013.9","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Hydroxyphenyl)-3,4,5-trimethoxybenzamide","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C128 H136 N8 O40 -","8","1","IS2785","Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun","<i>N</i>-(4-Hydroxyphenyl)-3,4,5-trimethoxybenzamide","Acta Crystallographica Section E","2011","67","11","o2865","","10.1107/S1600536811040554","","","0.71073","MoKα","","0.0857","0.0542","","","","0.1335","","","","","","0.968","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232352","12.6837","0.0011","9.4047","0.0011","25.641","0.003","90","","90","","90","","3058.6","0.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Bromophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C144 H112 Br8 N8 O8 -","8","1","IS2786","Fun, Hoong-Kun; Quah, Ching Kheng; Narayana, B.; Nayak, Prakash S.; Sarojini, B. K.","<i>N</i>-(4-Bromophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2011","67","11","o2926","o2927","10.1107/S1600536811041110","","","0.71073","MoKα","","0.0876","0.0513","","","0.1489","0.182","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232353","10.2249","0.0016","12.3767","0.0018","14.149","0.002","90","","93.473","0.002","90","","1787.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-<i>sec</i>-butyl-2-(4-fluorophenyl)-1<i>H</i>-benzimidazole- 5-carboxylate","","- C20 H21 F N2 O2 -","- C20 H21 F N2 O2 -","- C80 H84 F4 N8 O8 -","4","1","IS2787","Arumugam, Natarajan; Ngah, Nurziana; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad","Ethyl 1-<i>sec</i>-butyl-2-(4-fluorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2011","67","11","o2938","","10.1107/S1600536811041663","","","0.71073","MoKα","","0.0638","0.0466","","","0.1344","0.1497","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232354","8.1544","0.0001","9.5284","0.0001","11.3237","0.0002","77.09","0.001","74.152","0.001","71.288","0.001","792.7","0.02","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","<i>N</i>-Butyl-4,6-diphenylpyrimidin-2-amine","","- C20 H21 N3 -","- C20 H21 N3 -","- C40 H42 N6 -","2","1","IS2788","Fun, Hoong-Kun; Hemamalini, Madhukar; Hazra, Anita; Goswami, Shyamaprosad","<i>N</i>-Butyl-4,6-diphenylpyrimidin-2-amine","Acta Crystallographica Section E","2011","67","11","o2956","","10.1107/S160053681104147X","","","0.71073","MoKα","","0.0581","0.0477","","","0.1261","0.1357","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232355","6.849","0.0001","15.0815","0.0002","17.8519","0.0003","90","","90","","90","","1843.98","0.05","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,1'-{2,2'-[1,4-Phenylenebis(methylene)]bis(oxy)bis(2,1-phenylene)}diethanone","1-(2-{4-[(2-Acetylphenoxy)methyl]benzyloxy}phenyl)ethanone","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","0.5","IS2792","Al-Mohammed, Nassir N. N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","1,1'-{2,2'-[1,4-Phenylenebis(methylene)]bis(oxy)bis(2,1-phenylene)}diethanone","Acta Crystallographica Section E","2011","67","11","o3016","","10.1107/S1600536811042528","","","0.71073","MoKα","","0.0428","0.035","","","0.0946","0.0999","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232356","7.5015","0.0005","7.9962","0.0005","13.2468","0.0008","86.507","0.001","80.342","0.001","76.332","0.001","760.96","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-1-(2,5-Dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C34 H30 N2 O10 -","2","1","IS2794","Fun, Hoong-Kun; Chia, Tze Shyang; Narayana, B.; Nayak, Prakash S.; Sarojini, B. K.","(2<i>E</i>)-1-(2,5-Dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","11","o3058","o3059","10.1107/S1600536811043224","","","0.71073","MoKα","","0.0649","0.0479","","","0.153","0.1793","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232357","8.7936","0.0012","15.528","0.002","12.3351","0.0017","90","","102.118","0.003","90","","1646.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,3-Di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)diiodidopalladium(II)","","- C14 H10 I2 N4 Pd -","- C14 H10 I2 N4 Pd -","- C56 H40 I8 N16 Pd4 -","4","1","IS2795","Ha, Kwang","(2,3-Di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)diiodidopalladium(II)","Acta Crystallographica Section E","2011","67","11","m1626","","10.1107/S1600536811044023","","","0.71073","MoKα","","0.0453","0.0353","","","0.0925","0.1029","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232358","7.9003","0.0001","8.24","0.0001","10.1378","0.0001","103.409","0.001","99.864","0.001","99.372","0.001","618.184","0.013","100","1","100","","","","","","","","","6","P -1","-P 1","2","","4-[(2,4-Difluorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro- 1<i>H</i>-pyrazole-1-carbothioamide","","- C11 H9 F2 N5 O S -","- C11 H9 F2 N5 O S -","- C22 H18 F4 N10 O2 S2 -","2","1","IS2796","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul; Shetty, Shobhitha; Kalluraya, Balakrishna","4-[(2,4-Difluorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2011","67","11","o3116","","10.1107/S1600536811044576","","","0.71073","MoKα","","0.0415","0.0334","","","0.0862","0.0914","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232359","5.4519","0.0001","31.2382","0.0005","9.7206","0.0001","90","","120.41","0.001","90","","1427.74","0.04","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-2-oxoethyl 2-methylbenzoate","","- C16 H13 Br O3 -","- C16 H13 Br O3 -","- C64 H52 Br4 O12 -","4","1","IS2797","Fun, Hoong-Kun; Ooi, Chin Wei; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 2-methylbenzoate","Acta Crystallographica Section E","2011","67","11","o3119","","10.1107/S1600536811044564","","","0.71073","MoKα","","0.0553","0.0401","","","0.0885","0.0936","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232360","7.4463","0.0006","15.0032","0.0014","35.975","0.002","90","","90","","90","","4019.1","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Carboxy-2-(2-cyclopropylamino-4-methylpyridinium-3-ylamino)pyridinium dinitrate dihydrate","","- C15 H22 N6 O10 -","- C15 H22 N6 O10 -","- C120 H176 N48 O80 -","8","1","JH2324","Dong, Qiong; Jin, Shouwen; Tong, Kai; He, Haidong; Yu, YuanQi","3-Carboxy-2-(2-cyclopropylamino-4-methylpyridinium-3-ylamino)pyridinium dinitrate dihydrate","Acta Crystallographica Section E","2011","67","11","o2864","","10.1107/S1600536811040323","","","0.71073","MoKα","","0.1293","0.084","","","0.2638","0.2947","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232361","24.3475","0.001","13.9748","0.0006","11.0267","0.0004","90","","90","","90","","3751.9","0.3","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-{[2- (dimethylamino)ethyl]nitrilobis(methylene)}diphenolato)dioxidomolybdenum(VI) chloroform monosolvate","","- C35 H55 Cl3 Mo N2 O4 -","- C35 H55 Cl3 Mo N2 O4 -","- C140 H220 Cl12 Mo4 N8 O16 -","4","1","JJ2100","Lei, Xiangyang; Chelamalla, Nagasree","(4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-{[2-(dimethylamino)ethyl]nitrilobis(methylene)}diphenolato)dioxidomolybdenum(VI) chloroform monosolvate","Acta Crystallographica Section E","2011","67","11","m1510","","10.1107/S160053681104092X","","","1.54178","CuKα","","0.0332","0.0305","","","0.0769","0.0778","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232362","6.7534","0.0008","13.4879","0.0016","31.132","0.004","90","","90","","90","","2835.8","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1361 LCz-1081-1-1 18beta-GA-propargylamide","Propargylaminyl 3α-hydroxy-11-oxo-18β-olean-12-en-29-oate","","- C33 H49 N O3 -","- C33 H49 N O3 -","- C132 H196 N4 O12 -","4","1","JJ2102","Czollner, Laszlo; Jordis, Ulrich; Mereiter, Kurt","Propargylaminyl 3α-hydroxy-11-oxo-18β-olean-12-en-29-oate","Acta Crystallographica Section E","2011","67","11","o3052","o3053","10.1107/S1600536811043534","","","0.71073","MoKα","","0.034","0.0331","","","0.0884","0.0893","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232363","21.589","0.015","14.181","0.01","16.5","0.012","90","","97.289","0.009","90","","5011","6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-Oxido-bis[bis(phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ<i>O</i>)iron(III)] octahydrate","","- C48 H48 Fe2 N8 O17 S2 -","- C48 H48 Fe2 N8 O17 S2 -","- C192 H192 Fe8 N32 O68 S8 -","4","0.5","JJ2103","Zhang, JingYa; Wang, Ling; Liu, Yanju","μ-Oxido-bis[bis(phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)] octahydrate","Acta Crystallographica Section E","2011","67","11","m1568","m1569","10.1107/S1600536811042723","","","0.71073","MoKα","","0.0538","0.0369","","","0.0999","0.1073","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232364","14.612","0.002","5.975","0.0006","18.014","0.002","90","","110.814","0.014","90","","1470.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-2-Oxo-4-(1-phenylethylamino)-1,2-dihydroquinoline-3-carboxylic acid","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","JJ2104","Shishkina, Svitlana V.; Ukrainets, Igor V.; Mospanova, Elena V.","(<i>RS</i>)-2-Oxo-4-(1-phenylethylamino)-1,2-dihydroquinoline-3-carboxylic acid","Acta Crystallographica Section E","2011","67","11","o3054","","10.1107/S1600536811043297","","","0.71073","MoKα","","0.0939","0.0305","","","0.0294","0.0328","","","","","","0.655","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232365","6.5722","0.0002","22.465","0.0008","7.4314","0.0002","90","","93.237","0.002","90","","1095.45","0.06","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{[4-(Pyridin-2-yl)pyrimidin-2-yl]sulfanyl}acetic acid","","- C11 H9 N3 O2 S -","- C11 H9 N3 O2 S -","- C44 H36 N12 O8 S4 -","4","1","KJ2186","Wang, Lin; Dong, Hua-Ze","2-{[4-(Pyridin-2-yl)pyrimidin-2-yl]sulfanyl}acetic acid","Acta Crystallographica Section E","2011","67","11","o2916","","10.1107/S1600536811039791","","","0.71073","MoKα","","0.0436","0.0347","","","0.0905","0.0958","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232366","13.384","0.003","13.892","0.003","11.349","0.002","90","","101.953","0.003","90","","2064.4","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-({(<i>E</i>)-[2-(But-3-en-1-yl)-1-(prop-2-en-1-yl)-4-sulfanyl- 1<i>H</i>-imidazol-5-yl]methylidene}amino)-3-phenyl-1<i>H</i>- 1,2,4-triazole-5(4<i>H</i>)-thione","","- C19 H20 N6 S2 -","- C19 H20 N6 S2 -","- C76 H80 N24 S8 -","4","1","KJ2187","Natarajan, Sampath; Mathews, Rita","4-({(<i>E</i>)-[2-(But-3-en-1-yl)-1-(prop-2-en-1-yl)-4-sulfanyl-1<i>H</i>-imidazol-5-yl]methylidene}amino)-3-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","11","o2828","","10.1107/S1600536811039833","","","0.71073","MoKα","","0.0592","0.0531","","","0.1348","0.1394","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232367","10.7841","0.0005","11.0582","0.0006","21.482","0.0009","90","","113.359","0.002","90","","2351.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1,3-Diphenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-yl)-1,3-diphenyl-1<i>H</i>- pyrazole","","- C30 H24 N4 -","- C30 H24 N4 -","- C120 H96 N16 -","4","1","KJ2190","Fun, Hoong-Kun; Chia, Tze Shyang; Malladi, Shridhar; Isloor, Arun M.; Shivananda, Kammasandra N.","4-(1,3-Diphenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-yl)-1,3-diphenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","11","o2822","o2823","10.1107/S1600536811039869","","","0.71073","MoKα","","0.0645","0.0432","","","0.107","0.1204","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232368","6.0712","0.0006","13.4343","0.0013","10.0821","0.001","90","","96.882","0.002","90","","816.39","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>rac</i>-Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7- hexahydrobenzo[<i>c</i>][1,2]oxazole-5-carboxylate","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","KP2333","Ismiyev, Arif I.; Maharramov, Abel M.; Rashidov, Bahruz A.; Mammadova, Gunay Z.; Askerov, Rizvan K.","<i>rac</i>-Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexahydrobenzo[<i>c</i>][1,2]oxazole-5-carboxylate","Acta Crystallographica Section E","2011","67","11","o3018","","10.1107/S1600536811042395","","","0.71073","MoKα","","0.1138","0.0586","","","0.0997","0.1151","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232369","5.0409","0.001","8.3178","0.0017","12.9","0.003","90","","109.76","0.03","90","","509","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Dioxopiperazine-2,5-diacetamide","","- C8 H12 N4 O4 -","- C8 H12 N4 O4 -","- C16 H24 N8 O8 -","2","0.5","KP2350","Li, Ping; Zhang, Chun; Xu, Wei","<i>meso</i>-3,6-Dioxopiperazine-2,5-diacetamide","Acta Crystallographica Section E","2011","67","11","o3041","","10.1107/S1600536811043376","","","0.71073","MoKα","","0.0543","0.0367","","","0.0855","0.098","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232370","5.708","0.0006","7.3644","0.0008","40.642","0.005","90","","90","","90","","1708.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(Dodecyloxy)benzonitrile","","- C19 H29 N O -","- C19 H29 N O -","- C76 H116 N4 O4 -","4","1","KP2353","Kwong, Huey Chong; Rahman, Mohamad Zaki Ab.; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik","4-(Dodecyloxy)benzonitrile","Acta Crystallographica Section E","2011","67","11","o3000","","10.1107/S1600536811041602","","","1.5418","CuKα","","0.0573","0.0461","","0.1274","0.12","0.1274","","","","","","0.978","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232371","18.6491","0.0017","16.2454","0.0014","8.4004","0.0005","90","","112.214","0.001","90","","2356.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(2-aminopyridinium)hexachloro-indium","Tris(2-aminopyridinium) hexachloridoindate(III)","","- C15 H21 Cl6 In N6 -","- C15 H21 Cl6 In N6 -","- C60 H84 Cl24 In4 N24 -","4","0.5","KP2354","Jin, Xu-Dong; Sun, Li-Cai; Wang, Hai-Bo; Ge, Chun-Hua","Tris(2-aminopyridinium) hexachloridoindate(III)","Acta Crystallographica Section E","2011","67","11","m1602","","10.1107/S1600536811043285","","","0.71073","MoKα","","0.0475","0.0355","","","0.0852","0.0996","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232372","7.4547","0.0015","14.26","0.003","14.845","0.003","108.01","0.03","91.9","0.03","93.37","0.03","1496","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Aminobenzonitrile‒3,5-dinitrobenzoic acid (1/1)","","- C14 H10 N4 O6 -","- C14 H10 N4 O6 -","- C56 H40 N16 O24 -","4","2","KP2355","Ding, Xuehua; Wang, Shi; He, Wenrui; Huang, Wei","3-Aminobenzonitrile‒3,5-dinitrobenzoic acid (1/1)","Acta Crystallographica Section E","2011","67","11","o2833","","10.1107/S1600536811039870","","","0.71073","MoKα","","0.1437","0.0617","","","0.1263","0.1588","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232373","5.9548","0.0005","11.9548","0.001","14.8133","0.0012","90","","91.429","0.002","90","","1054.21","0.15","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyldi-<i>o</i>-phenylene)bis(pyridine- 2-carboxamide)","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","0.5","KP2356","Sarkar, Shuranjan; Lee, Hong-In","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyldi-<i>o</i>-phenylene)bis(pyridine-2-carboxamide)","Acta Crystallographica Section E","2011","67","11","o2988","","10.1107/S1600536811042309","","","0.71073","MoKα","","0.1439","0.0471","","","0.064","0.0895","","","","","","0.837","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232374","17.4222","0.0011","4.4686","0.0005","15.9374","0.001","90","","116.3","0.01","90","","1112.34","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(4-{[(2-Oxo-1,2-dihydronaphthalen-1- ylidene)methyl]amino}anilino)methylidene]naphthalen-2(1<i>H</i>)-one dihydrate","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C56 H48 N4 O8 -","2","0.5","KP2357","Blagus, Anita; Kaitner, Branko","1-[(4-{[(2-Oxo-1,2-dihydronaphthalen-1-ylidene)methyl]amino}anilino)methylidene]naphthalen-2(1<i>H</i>)-one dihydrate","Acta Crystallographica Section E","2011","67","11","o2958","o2959","10.1107/S1600536811041870","","","0.71073","MoKα","","0.1132","0.0613","","","0.1597","0.19","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232375","16.4781","0.0005","9.8872","0.0002","19.6509","0.0006","90","","111.575","0.0012","90","","2977.26","0.14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-Di-<i>tert</i>-butyl-<i>N</i>''-(2-chloroacetyl)phosphoric triamide","","- C10 H23 Cl N3 O2 P -","- C10 H23 Cl N3 O2 P -","- C80 H184 Cl8 N24 O16 P8 -","8","1","LD2026","Pourayoubi, Mehrdad; Elahi, Behrouz; Parvez, Masood","<i>N</i>,<i>N</i>'-Di-<i>tert</i>-butyl-<i>N</i>''-(2-chloroacetyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","11","o2848","","10.1107/S1600536811040773","","","0.71073","MoKα","","0.0522","0.043","","","0.0972","0.1034","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232376","10.0907","0.0002","16.3943","0.0004","11.8266","0.0002","90","","107.941","0.001","90","","1861.34","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-Dimethyl 2-(<i>tert</i>-butylamino)-5-oxo-4,5- dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","1","LD2028","Inglebert, S. Antony; Sethusankar, K.; Arun, Yuvaraj; Perumal, Paramasivam T.","<i>rac</i>-Dimethyl 2-(<i>tert</i>-butylamino)-5-oxo-4,5-dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate","Acta Crystallographica Section E","2011","67","11","o2955","","10.1107/S1600536811041493","","","0.71073","MoKα","","0.0894","0.0497","","","0.1304","0.1581","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232377","7.2356","0.0014","8.1104","0.0016","18.626","0.004","95.05","0.03","99.2","0.02","112.14","0.03","986.2","0.4","153","1","153","1","","","","","","","","5","P -1","-P 1","2","1,1',1''-{[4-(3,4-Ethylenedioxythiophen-2- yl)phenyl]methanetriyl}tris(1<i>H</i>-pyrazole)","1-[bis(1<i>H</i>-imidazol-1-yl)(4-{2<i>H</i>,3<i>H</i>- thieno[3,4-<i>b</i>][1,4]dioxin-5-yl}phenyl)methyl]-1<i>H</i>-imidazole","","- C22 H18 N6 O2 S -","- C22 H18 N6 O2 S -","- C44 H36 N12 O4 S2 -","2","1","LH5310","Chen, Xiao-Yan; Yang, Xiaoping; Holliday, Bradley J.","1,1',1''-{[4-(3,4-Ethylenedioxythiophen-2-yl)phenyl]methanetriyl}tris(1<i>H</i>-pyrazole)","Acta Crystallographica Section E","2011","67","11","o3021","","10.1107/S160053681104253X","","","0.71073","MoKα","","0.0722","0.0521","","","0.1257","0.1481","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232378","10.0207","0.0002","15.6475","0.0002","20.3837","0.0004","90","","90","","90","","3196.14","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[diaqua[μ~5~-(<i>R</i>,<i>S</i>)-2-({2-[(1,2- dicarboxylatoethyl)amino]ethyl}amino)butanedioate]cobaltate(III)sodium] dihydrate]","","- C20 H40 Co2 N4 Na2 O24 -","- C20 H40 Co2 N4 Na2 O24 -","- C80 H160 Co8 N16 Na8 O96 -","4","0.5","LH5329","Trunova, Olena K.; Dudko, Anatolij V.; Makotryk, Tamara O.; Osadcha, Olena V.; Pekhnyo, Vasily I.; Shovkova, Ganna V.","Poly[[diaqua[μ~5~-(<i>R</i>,<i>S</i>)-2-({2-[(1,2-dicarboxylatoethyl)amino]ethyl}amino)butanedioato]cobaltate(III)sodium] dihydrate]","Acta Crystallographica Section E","2011","67","11","m1547","m1548","10.1107/S160053681104013X","","","0.71073","MoKα","","0.0397","0.0293","","","0.0621","0.0649","","","","","","0.967","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2232379","14.5385","0.0007","6.4939","0.0003","14.5522","0.0007","90","","91.429","0.004","90","","1373.47","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Fluoroanilinium 4-methylbenzenesulfonate","","- C13 H14 F N O3 S -","- C13 H14 F N O3 S -","- C52 H56 F4 N4 O12 S4 -","4","1","LH5330","Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Yathirajan, H. S.; Narayana, B.","3-Fluoroanilinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","11","o2924","","10.1107/S1600536811041055","","","1.54178","CuKα","","0.0514","0.0397","","","0.1124","0.1211","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232380","11.0001","0.0003","10.808","0.0002","9.6903","0.0002","90","","106.83","0.002","90","","1102.73","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)terephthalamide; terephthalic acid","","- C26 H20 N4 O6 -","- C26 H20 N4 O6 -","- C52 H40 N8 O12 -","2","0.5","LH5338","Lu, Ji-lin; Liu, Xue-wen; Li, Lin; Chen, Yuan-dao; Shen, Guang-yu","<i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)terephthalamide‒terephthalic acid (1/1)","Acta Crystallographica Section E","2011","67","11","o3064","","10.1107/S1600536811041596","","","0.71073","MoKα","","0.0477","0.0395","","","0.0882","0.095","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232381","9.251","0.0002","20.0273","0.0004","10.7301","0.0002","90","","90.84","0.002","90","","1987.78","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-{7-Methoxyspiro[chromeno[4,3-<i>d</i>]thiazole- 4,1'-cyclohexan]-2-yl}-<i>N</i>,<i>N</i>-dimethylacetimidamide","","- C20 H25 N3 O2 S -","- C20 H25 N3 O2 S -","- C80 H100 N12 O8 S4 -","4","1","LH5340","Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Vyas, Poorvesh M.; Joshi, Mihir J.; Menpara, Kalpesh M.; Ladva, Kartik D.","(<i>E</i>)-<i>N</i>'-{7-Methoxyspiro[chromeno[4,3-<i>d</i>]thiazole-4,1'-cyclohexan]-2-yl}-<i>N</i>,<i>N</i>-dimethylacetimidamide","Acta Crystallographica Section E","2011","67","11","o2855","o2856","10.1107/S1600536811040359","","","0.71073","MoKα","","0.0561","0.0431","","","0.1065","0.1125","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232382","22.0249","0.0009","6.4628","0.0001","22.2739","0.0008","90","","118.694","0.005","90","","2781.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(1-Adamantylmethyl)-1<i>H</i>-benzimidazole","","- C18 H22 N2 -","- C18 H22 N2 -","- C144 H176 N16 -","8","2","LH5341","Černochová, Jarmila; Nečas, Marek; Kuřitka, Ivo; Vícha, Robert","1-(1-Adamantylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2011","67","11","o2906","","10.1107/S1600536811041018","","","0.71073","MoKα","","0.0537","0.0302","","","0.0611","0.0639","","","","","","0.833","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232383","10.411","0.002","7.391","0.0015","13.556","0.003","90","","108.57","0.03","90","","988.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(methanol-κ<i>O</i>)bis(quinoline-2-carboxylato- κ^2^<i>N</i>,<i>O</i>)nickel(II)","","- C22 H20 N2 Ni O6 -","- C22 H20 N2 Ni O6 -","- C44 H40 N4 Ni2 O12 -","2","0.5","LH5343","Kang, Juhye; Yeo, Jin Kie; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee","Bis(methanol-κ<i>O</i>)bis(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","Acta Crystallographica Section E","2011","67","11","m1511","","10.1107/S1600536811041134","","","0.71073","MoKα","","0.0318","0.0273","","","0.0743","0.0762","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232384","31.125","0.003","3.756","0.0003","12.3615","0.0012","90","","90","","90","","1445.1","0.2","185","1","185","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Chloro-4-nitrobenzoic acid‒quinoline (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C64 H44 Cl4 N8 O16 -","4","1","LH5345","Gotoh, Kazuma; Ishida, Hiroyuki","2-Chloro-4-nitrobenzoic acid‒quinoline (1/1)","Acta Crystallographica Section E","2011","67","11","o2883","","10.1107/S160053681104075X","","","0.71075","MoKα","","0.0493","0.0416","","","0.0797","0.0831","","","","","","1.063","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232385","14.73","0.002","5.4063","0.0008","20.983","0.003","90","","106.62","0.002","90","","1601.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[zinc-μ-[2-(2-{[2-(2- hydroxybenzoyl)hydrazinylidene]methyl}phenoxy)acetato(2-)]] monohydrate]","","- C16 H14 N2 O6 Zn -","- C16 H14 N2 O6 Zn -","- C64 H56 N8 O24 Zn4 -","4","1","LH5346","Luo, Feihua; Yang, Li; Zhang, Ping; Liu, Dan","<i>catena</i>-Poly[[zinc-μ-[2-(2-{[2-(2-hydroxybenzoyl)hydrazinylidene]methyl}phenoxy)acetato(2‒)]] monohydrate]","Acta Crystallographica Section E","2011","67","11","m1608","","10.1107/S1600536811043510","","","0.71073","MoKα","","0.0472","0.0418","","","0.1058","0.1091","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232386","15.286","0.0008","4.8436","0.0002","11.9803","0.0006","90","","111.812","0.006","90","","823.51","0.08","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","ethylenediaminium 4,4'-sulfonyldibenzoate","Ethane-1,2-diaminium 4,4'-sulfonyldibenzoate","","- C16 H18 N2 O6 S -","- C16 H18 N2 O6 S -","- C32 H36 N4 O12 S2 -","2","0.5","LH5347","Smith, Graham; Wermuth, Urs D.","Ethane-1,2-diaminium 4,4'-sulfonyldibenzoate","Acta Crystallographica Section E","2011","67","11","o2966","","10.1107/S1600536811041274","","","0.71073","MoKα","","0.0456","0.034","","","0.0898","0.0984","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232387","10.2132","0.0005","9.8588","0.0004","20.2711","0.0009","90","","93.621","0.002","90","","2037.02","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(3-Fluorobenzoyl)-<i>N</i>',<i>N</i>''-bis(4-methylphenyl)phosphoric triamide","","- C21 H21 F N3 O2 P -","- C21 H21 F N3 O2 P -","- C84 H84 F4 N12 O8 P4 -","4","1","LH5349","Pourayoubi, Mehrdad; Shoghpour, Samad; Bruno, Giuseppe; Amiri Rudbari, Hadi","<i>N</i>-(3-Fluorobenzoyl)-<i>N</i>',<i>N</i>''-bis(4-methylphenyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","11","o3034","","10.1107/S1600536811045314","","","0.71073","MoKα","","0.0529","0.0391","","","0.1006","0.1089","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232388","7.7666","0.0005","9.6059","0.0008","31.181","0.002","90","","90","","90","","2326.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10αHydroxy-4,9-dimethyl-13-[(4-phenylpiperazin-1-yl)methyl]- 3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","LH5350","Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Elhakmaoui, Ahmed; Berraho, Moha","10α-Hydroxy-4,9-dimethyl-13-[(4-phenylpiperazin-1-yl)methyl]-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one","Acta Crystallographica Section E","2011","67","11","o2981","o2982","10.1107/S1600536811042012","","","0.71073","MoKα","","0.0484","0.0398","","","0.099","0.1038","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232389","7.809","0.0014","24.811","0.004","9.6783","0.0013","90","","125.05","0.01","90","","1535.1","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3,5-Dichlorophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H13 Cl2 N O -","- C18 H13 Cl2 N O -","- C72 H52 Cl8 N4 O4 -","4","1","LH5351","Fun, Hoong-Kun; Quah, Ching Kheng; Narayana, B.; Nayak, Prakash S.; Sarojini, B. K.","<i>N</i>-(3,5-Dichlorophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2011","67","11","o2941","o2942","10.1107/S1600536811041468","","","0.71073","MoKα","","0.131","0.0738","","","0.1702","0.1976","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232390","7.7652","0.0005","11.9129","0.0008","13.3353","0.0009","90","","90.304","0.001","90","","1233.58","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,5'-Selenobis(2-hydroxybenzaldehyde)","","- C14 H10 O4 Se -","- C14 H10 O4 Se -","- C56 H40 O16 Se4 -","4","1","LH5352","Wu, Ming-Hu; Liu, Wen-Ju","5,5'-Selenobis(2-hydroxybenzaldehyde)","Acta Crystallographica Section E","2011","67","11","o2983","","10.1107/S1600536811042097","","","0.71073","MoKα","","0.0514","0.0409","","","0.1082","0.1216","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232391","7.5004","0.0006","9.3155","0.0007","14.1498","0.0012","90","","103.841","0.001","90","","959.94","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II)","","- C18 H16 Cl4 N2 Ni O2 -","- C18 H16 Cl4 N2 Ni O2 -","- C36 H32 Cl8 N4 Ni2 O4 -","2","0.5","LH5353","Huang, Qiu Ping; Zhang, Shu Hua; Guo, Jing Jing; Feng, Chao; Tang, Fu Shun","Bis[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]nickel(II)","Acta Crystallographica Section E","2011","67","11","m1611","","10.1107/S160053681104325X","","","0.71073","MoKα","","0.0457","0.0312","","","0.0516","0.0547","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232392","9.1705","0.0005","12.5446","0.0009","12.7788","0.0008","66.278","0.004","77.261","0.004","71.537","0.004","1269.23","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium 3-amino-5-nitrobenzoate sesquihydrate","","- C48 H50 F12 N8 O13 -","- C24 H25 F6 N4 O6.5 -","- C48 H50 F12 N8 O13 -","2","1","LH5355","de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Ng, Seik Weng; Tiekink, Edward R. T.","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium 3-amino-5-nitrobenzoate sesquihydrate","Acta Crystallographica Section E","2011","67","11","o3019","o3020","10.1107/S160053681104270X","","","0.71073","MoKα","","0.1197","0.0642","","","0.1472","0.1735","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2232393","7.9717","0.0009","16.4327","0.0019","14.356","0.0016","90","","95.133","0.002","90","","1873","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[1-(4-Hydroxy-3-methoxybenzyl)-1<i>H</i>-benzimidazol-2-yl]-2-methoxyphenol","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","LH5356","Xiao, Zuo-an; Gao, Tao; Huang, Fa-jun; Jiang, Ting-ting","4-[1-(4-Hydroxy-3-methoxybenzyl)-1<i>H</i>-benzimidazol-2-yl]-2-methoxyphenol","Acta Crystallographica Section E","2011","67","11","o3087","","10.1107/S1600536811043935","","","0.71073","MoKα","","0.0708","0.0579","","","0.1455","0.1544","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232394","12.553","0.0017","4.6499","0.0007","18.274","0.003","90","","105.786","0.002","90","","1026.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-6,7-dimethoxyquinoline","","- C11 H10 Cl N O2 -","- C11 H10 Cl N O2 -","- C44 H40 Cl4 N4 O8 -","4","1","LR2029","Wu, Min","4-Chloro-6,7-dimethoxyquinoline","Acta Crystallographica Section E","2011","67","11","o3012","","10.1107/S1600536811042589","","","0.71073","MoKα","","0.0426","0.0371","","","0.1097","0.1148","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232395","5.4066","0.0005","20.3556","0.0016","14.5567","0.0011","90","","93.853","0.005","90","","1598.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Decane-1,10-diaminium dinitrate","","- C10 H26 N4 O6 -","- C10 H26 N4 O6 -","- C40 H104 N16 O24 -","4","1","LR2031","Arderne, Charmaine","Decane-1,10-diaminium dinitrate","Acta Crystallographica Section E","2011","67","11","o3008","","10.1107/S1600536811042929","","","0.71073","MoKα","","0.1646","0.0554","","","0.1145","0.1574","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232396","13.7829","0.001","13.7829","","27.8235","0.0017","90","","90","","90","","5285.6","0.5","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Bis(μ-4-bromobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';<i>O</i>:<i>O</i>, <i>O</i>'-bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']bis[(4- bromobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","","- C54 H44 Br4 Cd2 N4 O8 -","- C54 H44 Br4 Cd2 N4 O8 -","- C216 H176 Br16 Cd8 N16 O32 -","4","0.5","LR2033","Liu, Dong; Zi, Yan-Qin; Ng, Seik Weng","Bis(μ-4-bromobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';<i>O</i>:<i>O</i>,<i>O</i>'-bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']bis[(4-bromobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","Acta Crystallographica Section E","2011","67","11","m1621","","10.1107/S1600536811043996","","","0.71073","MoKα","","0.0501","0.0438","","","0.1001","0.1036","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232397","7.9518","0.0016","9.1215","0.0018","9.4319","0.0019","74.33","0.03","88.6","0.03","74.74","0.03","634.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(diisopropylammonium) naphthalene-1,5-disulfonate","","- C22 H38 N2 O6 S2 -","- C22 H38 N2 O6 S2 -","- C22 H38 N2 O6 S2 -","1","0.5","MW2025","Jin, Yu","Bis(diisopropylammonium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2011","67","11","o3048","","10.1107/S1600536811043492","","","0.71073","MoKα","","0.0508","0.0459","","","0.1248","0.1285","","","","","","1.123","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232398","33.6581","0.0006","9.4265","0.0002","6.8978","0.0001","90","","90","","90","","2188.52","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","opipramol dihydrochloride","4-{3-[2-azatricyclo[9.4.0.0^3,8^]pentadeca-1(15),3,5,7,11,13-\ hexaen-2-yl]propyl}-1-(2-hydroxyethyl)piperazine-1,4-diium dichloride","","- C23 H31 Cl2 N3 O -","- C23 H31 Cl2 N3 O -","- C92 H124 Cl8 N12 O4 -","4","1","MW2030","Betz, Richard; Gerber, Thomas; Hosten, Eric; Siddaraju, Budanoor P.; Yathirajan, Hemmige S.","Opipramol dihydrochloride","Acta Crystallographica Section E","2011","67","11","o2994","o2995","10.1107/S1600536811042280","","","0.71073","MoKα","","0.0312","0.0274","","","0.0692","0.0711","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232399","6.8561","0.0002","8.0705","0.0002","13.9069","0.0003","103.719","0.001","91.28","0.001","106.973","0.001","711.5","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H15 F O2 S -","- C17 H15 F O2 S -","- C34 H30 F2 O4 S2 -","2","1","MW2033","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-(3-Fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","11","o3113","","10.1107/S1600536811043716","","","0.71073","MoKα","","0.0381","0.0352","","","0.0955","0.0978","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232400","9.6381","0.0002","11.9668","0.0004","11.9892","0.0003","109.95","0.001","95.348","0.001","101.411","0.001","1254.6","0.06","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","Tris(pyridin-2-ylmethanol)nickel(II) hexafluoridophosphate trifluoroacetate","","- C20 H21 F9 N3 Ni O5 P -","- C20 H21 F9 N3 Ni O5 P -","- C40 H42 F18 N6 Ni2 O10 P2 -","2","1","NC2249","Hamaguchi, Tomohiko; Nagata, Tomoko; Kawata, Satoshi; Ando, Isao","Tris(pyridin-2-ylmethanol)nickel(II) hexafluoridophosphate trifluoroacetate","Acta Crystallographica Section E","2011","67","11","m1632","","10.1107/S160053681104431X","","","0.71075","MoKα","","0.0358","0.0327","","","0.0851","0.0878","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232401","8.1321","0.0009","8.1604","0.0009","12.456","0.001","80.991","0.009","72.903","0.008","78.979","0.008","771.04","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-<i>N</i>-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C30 H32 Cl2 N2 O4 S2 -","2","1","NC2250","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2930","","10.1107/S1600536811041341","","","0.71073","MoKα","","0.0458","0.0366","","","0.1016","0.1085","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232402","11.3337","0.0016","11.3337","","8.9121","0.0018","90","","90","","90","","1144.8","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Poly[tetraaquadi-μ~4~-oxalato-lutetium(III)potassium]","","- C4 H8 K Lu O12 -","- C4 H8 K Lu O12 -","- C16 H32 K4 Lu4 O48 -","4","0.25","NG5233","Zhang, Feng-Ming; Sun, Tao-Zhu; Hou, Guang-Feng; Yan, Peng-Fei; Li, Guang-Ming","Poly[tetraaquadi-μ~4~-oxalato-lutetium(III)potassium]","Acta Crystallographica Section E","2011","67","11","m1591","","10.1107/S1600536811042061","","","0.71073","MoKα","","0.0174","0.0143","","","0.0338","0.0348","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232403","7.737","0.002","13.165","0.004","16.889","0.006","90","","90","","90","","1720.3","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[bis(μ-2-formyl-6-methoxyphenolato)copper(II)sodium]- μ-nitrato]","","- C16 H14 Cu N Na O9 -","- C16 H14 Cu N Na O9 -","- C64 H56 Cu4 N4 Na4 O36 -","4","1","NG5236","Gao, Po; Hou, Hai-Ge; Gao, Ting; Yang, Jing-Lin; Yang, Yu","<i>catena</i>-Poly[[bis(μ-2-formyl-6-methoxyphenolato)copper(II)sodium]-μ-nitrato]","Acta Crystallographica Section E","2011","67","11","m1522","","10.1107/S1600536811040025","","","0.71073","MoKα","","0.0235","0.0213","","","0.0558","0.0566","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232404","8.5344","0.0002","8.8477","0.0003","12.4383","0.0004","77.924","0.002","75.382","0.002","86.537","0.002","888.67","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{4-[(3-Methylphenyl)sulfamoyl]phenyl}benzamide","","- C20 H18 N2 O3 S -","- C20 H18 N2 O3 S -","- C40 H36 N4 O6 S2 -","2","1","NG5238","Lahtinen, Manu; Damodara, Jyothi; Upadhyaya, Poornima; Nonappa; Kolehmainen, Erkki","<i>N</i>-{4-[(3-Methylphenyl)sulfamoyl]phenyl}benzamide","Acta Crystallographica Section E","2011","67","11","o2866","","10.1107/S1600536811040384","","","0.71073","MoKα","","0.0489","0.0371","","","0.082","0.0877","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232405","9.0875","0.0009","10.9002","0.0011","12.6448","0.0013","101.886","0.0012","92.4964","0.0012","110.086","0.0012","1142.2","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","μ~4~-Orthothiocarbonato-tetrakis[tricarbonyliron(I)](2 <i>Fe</i>—<i>Fe</i>)","","- C13 Fe4 O12 S4 -","- C13 Fe4 O12 S4 -","- C26 Fe8 O24 S8 -","2","1","NG5239","Shi, Yao-Cheng; Cheng, Huan-Ren; Yuan, Li-Min; Li, Qian-Kun","μ~4~-Orthothiocarbonato-tetrakis[tricarbonyliron(I)](2 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2011","67","11","m1534","","10.1107/S1600536811041936","","","0.71073","MoKα","","0.0352","0.0263","","","0.0649","0.0704","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232406","10.9021","0.0019","12.7992","0.0016","27.9421","0.0014","90","","90.492","0.016","90","","3898.8","0.9","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-Bis(1-acetyl-5-methyl-1<i>H</i>-pyrazol-3-yl)ferrocene","","- C22 H22 Fe N4 O2 -","- C22 H22 Fe N4 O2 -","- C176 H176 Fe8 N32 O16 -","8","2","NG5240","Zhu, Bei-Bei; Shi, Yao-Cheng; Shen, Wen-Bin; Li, Qian-Kun","1,1'-Bis(1-acetyl-5-methyl-1<i>H</i>-pyrazol-3-yl)ferrocene","Acta Crystallographica Section E","2011","67","11","m1533","","10.1107/S1600536811041924","","","0.71073","MoKα","","0.1574","0.077","","","0.1309","0.1596","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232407","30.1352","0.0013","5.5552","0.0003","18.2232","0.0008","90","","92.753","0.002","90","","3047.2","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(3-Ethoxy-2-hydroxybenzylidene)-<i>N</i>-phenylhydrazinecarboxamide","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C128 H136 N24 O24 -","8","1","NG5242","Sithambaresan, M.; Kurup, M. R. Prathapachandra","2-(3-Ethoxy-2-hydroxybenzylidene)-<i>N</i>-phenylhydrazinecarboxamide","Acta Crystallographica Section E","2011","67","11","o2972","","10.1107/S1600536811041857","","","0.71073","MoKα","","0.0539","0.0402","","","0.1131","0.1365","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232408","9.304","0.005","26.756","0.005","7.129","0.005","90","0.005","91.259","0.005","90","0.005","1774.2","1.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-Imidazol-1-yl)-4,6-dimethylpyrimidine","","- C9 H10 N4 -","- C9 H10 N4 -","- C72 H80 N32 -","8","2","NG5247","Yu, Dao-Hui; Wu, Jie-Ying","2-(1<i>H</i>-Imidazol-1-yl)-4,6-dimethylpyrimidine","Acta Crystallographica Section E","2011","67","11","o3111","","10.1107/S1600536811044357","","","0.71069","MoKα","","0.0801","0.0635","","","0.1844","0.197","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232409","9.323","0.0019","10.17","0.002","21.862","0.004","90","","96.33","0.03","90","","2060.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl (<i>Z</i>)-2-(2-fluorobenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro- 2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C23 H19 F N2 O3 S -","- C23 H19 F N2 O3 S -","- C92 H76 F4 N8 O12 S4 -","4","1","NG5248","Zhao, Cheng-Guang; Hu, Jie; Zhang, Ya-Li; Zhang, Jing; Yang, Shu-Lin","Ethyl (<i>Z</i>)-2-(2-fluorobenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2011","67","11","o3009","","10.1107/S1600536811042899","","","0.71073","MoKα","","0.0742","0.0523","","","0.1319","0.1467","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232410","10.7364","0.0013","9.8983","0.0012","24.02","0.003","90","","93.151","0.001","90","","2548.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(1,2-Dimethyl-1<i>H</i>-indol-3-yl)-1-{5-[3-(1,3-dioxolan-2-yl)phenyl]- 2-methylthiophen-3-yl}-3,3,4,4,5,5-hexafluorocyclopent-1-ene","","- C29 H23 F6 N O2 S -","- C29 H23 F6 N O2 S -","- C116 H92 F24 N4 O8 S4 -","4","1","NG5249","Wang, Li-qin; Yan, Liu-shui; Liu, Gang","2-(1,2-Dimethyl-1<i>H</i>-indol-3-yl)-1-{5-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylthiophen-3-yl}-3,3,4,4,5,5-hexafluorocyclopent-1-ene","Acta Crystallographica Section E","2011","67","11","o3051","","10.1107/S1600536811043509","","","0.71073","MoKα","","0.0559","0.0408","","","0.1115","0.126","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232411","12.8455","0.0017","13.2879","0.001","13.4197","0.0009","119.572","0.002","101.544","0.002","96.039","0.002","1895.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(μ-Piperazine-1,4-dicarbodithioato- κ^4^<i>S</i>^1^,<i>S</i>^1'^:<i>S</i>^4^,<i>S</i>^4'^) bis[bis(triphenylphosphane-κ<i>P</i>)gold(I)] chloroform disolvate","","- C80 H70 Au2 Cl6 N2 P4 S4 -","- C80 H70 Au2 Cl6 N2 P4 S4 -","- C80 H70 Au2 Cl6 N2 P4 S4 -","1","0.5","NG5253","Guzei, Ilia A.; Spencer, Lara C.; Lillywhite, Stacy; Darkwa, James","(μ-Piperazine-1,4-dicarbodithioato-κ^4^<i>S</i>^1^,<i>S</i>^1'^:<i>S</i>^4^,<i>S</i>^4'^)bis[bis(triphenylphosphane-κ<i>P</i>)gold(I)] chloroform disolvate","Acta Crystallographica Section E","2011","67","11","m1629","m1630","10.1107/S1600536811044229","","","1.54178","Cu-Kα","","0.0281","0.0281","","","0.0739","0.074","","","","","","1.152","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232412","8.3414","0.0009","15.327","0.0016","11.7208","0.0012","90","","101.027","0.002","90","","1470.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)palladium(II)","","- C14 H10 Cl2 N4 Pd -","- C14 H10 Cl2 N4 Pd -","- C56 H40 Cl8 N16 Pd4 -","4","1","NG5256","Ha, Kwang","Dichlorido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)palladium(II)","Acta Crystallographica Section E","2011","67","11","m1615","","10.1107/S1600536811043753","","","0.71073","MoKα","","0.0451","0.0278","","","0.0544","0.0748","","","","","","1.176","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232413","15.561","0.002","6.982","0.003","14.082","0.005","90","","103.271","0.005","90","","1489.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Tricarbonyl(pyridine-κ<i>N</i>)(1,1,1-trifluoroacetylacetonato- κ^2^<i>O</i>,<i>O</i>')rhenium(I)","","- C13 H9 F3 N O5 Re -","- C13 H9 F3 N O5 Re -","- C52 H36 F12 N4 O20 Re4 -","4","1","NG5257","Visser, Hendrik G.; Roodt, Andreas; Volmink, Amanda-lee; Kemp, Gerdus","<i>fac</i>-Tricarbonyl(pyridine-κ<i>N</i>)(1,1,1-trifluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')rhenium(I)","Acta Crystallographica Section E","2011","67","11","m1631","","10.1107/S160053681104476X","","","0.71073","MoKα","","0.0323","0.0251","","","","0.0593","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232414","8.2377","0.001","23.513","0.003","9.0894","0.001","90","","113.512","0.003","90","","1614.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Trityl-2-(tritylsulfanyl)aniline","","- C44 H35 N S -","- C44 H35 N S -","- C88 H70 N2 S2 -","2","1","NK2100","Neuba, Adam; Flörke, Ulrich; Henkel, Gerald","<i>N</i>-Trityl-2-(tritylsulfanyl)aniline","Acta Crystallographica Section E","2011","67","11","o2887","","10.1107/S1600536811039183","","","0.71073","MoKα","","0.0874","0.058","","","0.0909","0.0992","","","","","","0.907","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232415","8.1743","0.0006","10.3955","0.001","11.397","0.001","105.86","0.006","108.929","0.005","104.099","0.005","820.37","0.14","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(3-cyanopyridine- κ<i>N</i>^1^)ruthenium(II,III)](<i>Ru</i>—<i>Ru</i>) hexafluoridophosphate 1,2-dichloroethane monosolvate","","- C22 H24 Cl2 F6 N4 O8 P Ru2 -","- C22 H24 Cl2 F6 N4 O8 P Ru2 -","- C22 H24 Cl2 F6 N4 O8 P Ru2 -","1","0.5","NK2113","Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S.","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(3-cyanopyridine-κ<i>N</i>^1^)ruthenium(II,III)](<i>Ru</i>—<i>Ru</i>) hexafluoridophosphate 1,2-dichloroethane monosolvate","Acta Crystallographica Section E","2011","67","11","m1554","","10.1107/S1600536811041997","","","0.71073","MoKα","","0.0337","0.0279","","","0.0726","0.0775","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232416","19.0915","0.0009","9.9636","0.0005","10.4203","0.0005","90","","104.619","0.0013","90","","1917.98","0.16","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-<i>a</i>]quinoxalin-1- yl)methanone","","- C24 H18 N2 O3 S -","- C24 H18 N2 O3 S -","- C96 H72 N8 O12 S4 -","4","1","NK2116","Dürüst, Yaşar; Sağırlı, Akın; Fronczek, Frank R.","(Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-<i>a</i>]quinoxalin-1-yl)methanone","Acta Crystallographica Section E","2011","67","11","o2859","o2860","10.1107/S1600536811040335","","","1.54178","CuKα","","0.0297","0.0291","","","0.0757","0.0761","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232417","8.5065","0.0017","8.6829","0.0017","10.815","0.002","96.97","0.03","91.51","0.02","109.4","0.03","746","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","4-(tri(1H-pyrazol-1-yl)methyl)phenol","4-[Tris(1<i>H</i>-pyrazol-1-yl)methyl]phenol","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C32 H28 N12 O2 -","2","1","PK2340","Chen, Xiao-Yan; Yang, Xiaoping; Holliday, Bradley J.","4-[Tris(1<i>H</i>-pyrazol-1-yl)methyl]phenol","Acta Crystallographica Section E","2011","67","11","o3045","","10.1107/S1600536811043042","","","0.71073","MoKα","","0.0659","0.0428","","","0.0886","0.0991","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232418","7.0047","0.0011","14.171","0.002","21.681","0.003","90","","90","","90","","2152.1","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[2-(2-Hydroxyethylamino)ethylimino]methyl}phenol","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C88 H128 N16 O16 -","8","2","PK2347","Germán-Acacio, Juan M.; Tlahuext, Hugo; Höpfl, Herbert","(<i>E</i>)-2-{[2-(2-Hydroxyethylamino)ethylimino]methyl}phenol","Acta Crystallographica Section E","2011","67","11","o2849","","10.1107/S1600536811039997","","","0.71073","MoKα","","0.0627","0.0523","","","0.1102","0.115","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232419","4.9232","0.0005","15.4162","0.0015","18.2102","0.0017","90","","90","","90","","1382.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(1-Naphthyl)benzenesulfonamide","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","PK2348","Zhang, Sifang; Zhang, Yuewen; Wang, Chuntao; Zhu, Ruitao","<i>N</i>-(1-Naphthyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2831","","10.1107/S1600536811039201","","","0.71073","MoKα","","0.0418","0.0348","","","0.0799","0.0839","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232420","10.5823","0.0004","9.1053","0.0003","16.4163","0.0006","90","","90","","90","","1581.79","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(Ethane-1,2-diyl)bis(3-phenylthiourea)","","- C16 H18 N4 S2 -","- C16 H18 N4 S2 -","- C64 H72 N16 S8 -","4","0.5","PK2349","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","1,1'-(Ethane-1,2-diyl)bis(3-phenylthiourea)","Acta Crystallographica Section E","2011","67","11","o2819","","10.1107/S1600536811039936","","","0.71073","MoKα","","0.0712","0.0544","","","0.1207","0.1346","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232421","9.335","0.001","10.435","0.002","11.8581","0.0015","90","","107.632","0.008","90","","1100.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Gallic acid pyridine monosolvate","3,4,5-trihydroxybenzoic acid pyridine monosolvate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C48 H44 N4 O20 -","4","1","PK2351","Dong, Fu-Yue; Wu, Jie; Tian, Hai-Yan; Ye, Qing-Mei; Jiang, Ren-Wang","Gallic acid pyridine monosolvate","Acta Crystallographica Section E","2011","67","11","o3096","","10.1107/S1600536811043868","","","0.71073","MoKα","","0.1396","0.0658","","","0.1404","0.1717","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232422","14.539","0.001","7.391","0.001","15.686","0.001","90","","108.752","0.002","90","","1596.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6,6'-(Pyridine-2,6-diyl)bis(pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione)","","- C19 H9 N5 O4 -","- C19 H9 N5 O4 -","- C76 H36 N20 O16 -","4","0.5","PK2352","Van der Berg, P. C. W.; Visser, Hendrik G.; Roodt, Andreas","6,6'-(Pyridine-2,6-diyl)bis(pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione)","Acta Crystallographica Section E","2011","67","11","o3130","","10.1107/S160053681104414X","","","0.71073","MoKα","","0.038","0.0335","","","","0.0907","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232423","7.744","0.002","21.389","0.006","7.241","0.002","90","","110.504","0.004","90","","1123.4","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-chloro-3,5-dinitrobenzoate","","- C9 H7 Cl N2 O6 -","- C9 H7 Cl N2 O6 -","- C36 H28 Cl4 N8 O24 -","4","1","PV2450","Wu, Hao; Xie, Min-Hao; Liu, Ya-Ling; He, Yong-Jun; Zou, Pei","Ethyl 4-chloro-3,5-dinitrobenzoate","Acta Crystallographica Section E","2011","67","11","o2917","","10.1107/S160053681103978X","","","0.71073","MoKα","","0.0613","0.0414","","","0.0891","0.0979","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232424","7.959","0.0016","12.039","0.002","16.298","0.003","104.27","0.03","100.09","0.03","100.02","0.03","1450.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(4-Benzhydrylpiperazin-1-yl)-3-(3,4-diethoxyphenyl)prop-2-en-1-one ethanol monosolvate","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C64 H80 N4 O8 -","2","1","PV2451","Zhong, Yan; Wu, Bin","(<i>E</i>)-1-(4-Benzhydrylpiperazin-1-yl)-3-(3,4-diethoxyphenyl)prop-2-en-1-one ethanol monosolvate","Acta Crystallographica Section E","2011","67","11","o2992","","10.1107/S1600536811042267","","","0.71073","MoKα","","0.1049","0.0667","","","0.1477","0.1655","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232425","5.2985","0.0001","18.8511","0.0003","19.5973","0.0004","90","","90","","90","","1957.43","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-Anhydro-3,6-di-<i>O</i>-benzyl-2-deoxy-1,2-<i>C</i>-dichloromethylene- D-<i>glycero</i>-D-<i>gulo</i>-hexitol","","- C21 H22 Cl2 O4 -","- C21 H22 Cl2 O4 -","- C84 H88 Cl8 O16 -","4","1","PV2453","Kinfe, Henok H.; Aderibigbe, Blessing A.; Muller, Alfred","1,5-Anhydro-3,6-di-<i>O</i>-benzyl-2-deoxy-1,2-<i>C</i>-dichloromethylene-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-hexitol","Acta Crystallographica Section E","2011","67","11","o2888","","10.1107/S1600536811040815","","","1.54178","CuKα","","0.0241","0.0226","","","","0.0547","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232426","6.8554","0.0005","8.0926","0.0006","10.1024","0.0007","78.936","0.001","78.867","0.001","83.665","0.001","538.13","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","exo-3,4-Dibromo-6,7-benzobicyclo[3.2.1]octa-2,6-diene","10,11-dibromotricyclo[6.3.1.0^2,7^]dodeca-2,4,6,9-tetraene","","- C12 H10 Br2 -","- C12 H10 Br2 -","- C24 H20 Br4 -","2","1","PV2455","Johnson, Kevin R. D.; Bender, Christopher O.; Boeré, René T.","<i>exo</i>-10,11-Dibromotricyclo[6.3.1.0^2,7^]dodeca-2,4,6,9-tetraene","Acta Crystallographica Section E","2011","67","11","o2975","","10.1107/S1600536811041730","","","0.71073","MoKα","","0.0171","0.0158","","","0.0394","0.0403","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232427","19.0755","0.001","15.9409","0.0009","37.533","0.002","90","","90","","90","","11413.1","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaquatetrakis(1,3-di-4-pyridylpropane-κ<i>N</i>)manganese(II) bis(perchlorate) sesquihydrate","","- C52 H62 Cl2 Mn N8 O11.5 -","- C52 H62 Cl2 Mn N8 O11.5 -","- C416 H496 Cl16 Mn8 N64 O92 -","8","1","PV2456","Kuai, Hai-Wei; Cheng, Xiao-Chun","Diaquatetrakis(1,3-di-4-pyridylpropane-κ<i>N</i>)manganese(II) bis(perchlorate) sesquihydrate","Acta Crystallographica Section E","2011","67","11","m1543","","10.1107/S1600536811041511","","","0.71073","MoKα","","0.0903","0.0568","","","0.1705","0.1875","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232428","6.0585","0.0009","23.544","0.003","8.3308","0.0009","90","","118.787","0.008","90","","1041.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[diaqua(<i>cis</i>-cyclohexane-1,2-dicarboxylato)cadmium]","","- C8 H14 Cd O6 -","- C8 H14 Cd O6 -","- C32 H56 Cd4 O24 -","4","1","PV2458","Zhu, Xiao-Hong; Cheng, Xiao-Chun","<i>catena</i>-Poly[diaqua(<i>cis</i>-cyclohexane-1,2-dicarboxylato)cadmium]","Acta Crystallographica Section E","2011","67","11","m1617","","10.1107/S1600536811044187","","","0.71073","MoKα","","0.063","0.0622","","","0.1314","0.1317","","","","","","1.505","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232429","11.2322","0.0002","6.524","0.0001","21.0087","0.0004","90","","90.597","0.001","90","","1539.41","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{[2-(Piperazin-4-ium-1-yl)ethyliminio]methyl}phenolate 0.06-chloride 0.94-perchlorate","","- C13 H20 Cl N3 O4.75 -","- C13 H20 Cl N3 O4.748 -","- C52 H80 Cl4 N12 O18.992 -","4","1","PV2459","Reisi, Mohammad Reza; Khaledi, Hamid; Mohd Ali, Hapipah","2-{[2-(Piperazin-4-ium-1-yl)ethyliminio]methyl}phenolate 0.06-chloride 0.94-perchlorate","Acta Crystallographica Section E","2011","67","11","o2986","","10.1107/S1600536811042255","","","0.71073","MoKα","","0.0543","0.0452","","","0.1207","0.1271","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232430","6.0261","0.0005","8.0655","0.0004","10.9129","0.0009","83.904","0.005","89.386","0.004","68.416","0.004","490.19","0.06","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(2-Methylcyclohexylidene)hydrazinecarbothioamide","","- C8 H15 N3 S -","- C8 H15 N3 S -","- C16 H30 N6 S2 -","2","1","PV2460","Hicks, Justin W.; Lough, Alan J.; Wilson, Alan A.; Vasdev, Neil","(<i>E</i>)-2-(2-Methylcyclohexylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2011","67","11","o3005","","10.1107/S1600536811042486","","","0.71073","MoKα","","0.067","0.0479","","","0.1096","0.1215","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232431","27.282","0.003","9.4315","0.001","11.5884","0.001","90","","110.729","0.001","90","","2788.8","0.5","86","0.5","86","0.5","101.3","","","","","","","4","C 1 2 1","C 2y","5","","<i>tert</i>-Butyl (2<i>S</i>)-2-{3-[(<i>R</i>)-bis(<i>tert</i>- butoxycarbonyl)amino]-2-oxopiperidin-1-yl}-3-methylbutanoate","","- C24 H42 N2 O7 -","- C24 H42 N2 O7 -","- C96 H168 N8 O28 -","4","1","PV2462","Kangas, Michael J.; Fronczek, Frank R.; Watkins, Steven F.","<i>tert</i>-Butyl (2<i>S</i>)-2-{3-[(<i>R</i>)-bis(<i>tert</i>-butoxycarbonyl)amino]-2-oxopiperidin-1-yl}-3-methylbutanoate","Acta Crystallographica Section E","2011","67","11","o3057","","10.1107/S1600536811043212","","","1.54178","CuKα","","0.0265","0.0262","","","0.0704","0.0707","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232432","7.578","0.004","8.141","0.004","14.235","0.009","103.32","0.02","93.75","0.05","105.39","0.03","816.4","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C34 H32 N4 O12 -","2","1","QM2031","Zheng, Juanjuan; Wang, Xueyuan; Pang, Dongying; Sun, Yan; Su, Wei","Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2011","67","11","o2820","","10.1107/S1600536811039626","","","0.71073","MoKα","","0.0601","0.0379","","","0.0858","0.0966","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232433","7.1583","0.0008","13.2036","0.0012","11.251","0.0014","90","","90.642","0.009","90","","1063.3","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(9<i>R</i>,10<i>R</i>,10a<i>R</i>)-9-(2-Bromophenyl)-10-nitro-6-phenyl- 10,10a-dihydro-9<i>H</i>-benzo[<i>c</i>]chromene-8-carbaldehyde","","- C26 H18 Br N O4 -","- C26 H18 Br N O4 -","- C52 H36 Br2 N2 O8 -","2","1","QM2032","Dufour, Jeremy; Maji, Modhu Sudan; Bolte, Michael","(9<i>R</i>,10<i>R</i>,10a<i>R</i>)-9-(2-Bromophenyl)-10-nitro-6-phenyl-10,10a-dihydro-9<i>H</i>-benzo[<i>c</i>]chromene-8-carbaldehyde","Acta Crystallographica Section E","2011","67","11","o2844","","10.1107/S160053681103995X","","","0.71073","MoKα","","0.0399","0.0358","","","0.0854","0.087","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232434","6.41","0.003","10.253","0.003","13.49","0.003","71.111","0.002","87.998","0.002","86.473","0.002","837.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Methanolato-κ<i>O</i>)[<i>N</i>'-(3-methoxy-2-oxidobenzylidene-\ κ<i>O</i>^2^)-4-nitrobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V)","","- C16 H14 N3 O7 V -","- C16 H14 N3 O7 V -","- C32 H28 N6 O14 V2 -","2","1","QM2033","Wang, Chen-Yi; Tu, Hai-Yu; Zhu, Pei-Fei; Sheng, Su-Jun","(Methanolato-κ<i>O</i>)[<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-nitrobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V)","Acta Crystallographica Section E","2011","67","11","m1495","","10.1107/S1600536811040207","","","0.71073","MoKα","","0.0719","0.051","","","0.1085","0.1152","","","","","","1.152","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232435","22.6634","0.0008","12.9587","0.0005","17.6627","0.0007","90","","119.061","0.001","90","","4534.3","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>''-(3-fluorobenzoyl)- <i>N</i>,<i>N</i>'-dimethylphosphoric triamide","","- C21 H33 F N3 O2 P -","- C21 H33 F N3 O2 P -","- C168 H264 F8 N24 O16 P8 -","8","1","QM2034","Pourayoubi, Mehrdad; Shoghpour, Samad; Bruno, Giuseppe; Amiri Rudbari, Hadi","<i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>''-(3-fluorobenzoyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide","Acta Crystallographica Section E","2011","67","11","o3028","o3029","10.1107/S1600536811043017","","","0.71073","MoKα","","0.0655","0.0493","","","0.1414","0.1572","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232436","17.387","0.003","7.576","0.002","17.855","0.003","90","","90.962","0.002","90","","2351.6","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Cyano-<i>N</i>'-[1-(2-hydroxyphenyl)ethylidene]acetohydrazide monohydrate","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C88 H104 N24 O24 -","8","2","QM2036","Li, Hongbo; Chen, Peng; You, Zhonglu","2-Cyano-<i>N</i>'-[1-(2-hydroxyphenyl)ethylidene]acetohydrazide monohydrate","Acta Crystallographica Section E","2011","67","11","o3001","","10.1107/S1600536811042565","","","0.71073","MoKα","","0.1468","0.0699","","","0.1246","0.1468","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232437","6.701","0.002","9.492","0.003","13.011","0.003","105.866","0.002","92.535","0.002","94.496","0.002","791.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3-nitrobenzohydrazide methanol monosolvate","","- C15 H14 Br N3 O5 -","- C15 H14 Br N3 O5 -","- C30 H28 Br2 N6 O10 -","2","1","QM2037","Tang, Chun-Bao","<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3-nitrobenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","11","o3002","","10.1107/S1600536811042553","","","0.71073","MoKα","","0.2523","0.0734","","","0.1626","0.2363","","","","","","0.93","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232438","10.057","0.003","8.168","0.003","16.741","0.005","90","","96.684","0.003","90","","1365.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{μ-2-[1-(pyridin-2-ylmethylimino)ethyl]phenolato}bis(azidozinc)","","- C28 H26 N10 O2 Zn2 -","- C28 H26 N10 O2 Zn2 -","- C56 H52 N20 O4 Zn4 -","2","0.5","QM2038","Miao, Jian-Ying","Bis{μ-2-[1-(pyridin-2-ylmethylimino)ethyl]phenolato}bis(azidozinc)","Acta Crystallographica Section E","2011","67","11","m1598","","10.1107/S1600536811043455","","","0.71073","MoKα","","0.0501","0.0325","","","0.0676","0.0741","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232439","10.9977","0.0006","11.9586","0.0005","13.0364","0.0005","90","","108.739","0.003","90","","1623.63","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-Tricarbonyl(η^4^-1,3-diacetoxy-5,5-dimethylcyclohexa-1,3- diene)iron(0)","","- C15 H16 Fe O7 -","- C15 H16 Fe O7 -","- C60 H64 Fe4 O28 -","4","1","RK2295","Romanski, Steffen; Neudörfl, Jörg-M.; Schmalz, Hans-Günther","(<i>RS</i>)-Tricarbonyl(η^4^-1,3-diacetoxy-5,5-dimethylcyclohexa-1,3-diene)iron(0)","Acta Crystallographica Section E","2011","67","11","m1530","","10.1107/S1600536811041298","","","0.71073","MoKα","","0.0446","0.0306","","","0.0743","0.0781","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232440","5.3359","0.0002","19.2285","0.0006","5.6017","0.0002","90","","97.334","0.003","90","","570.04","0.03","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-benzyl-3-nitroaniline","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C26 H24 N4 O4 -","2","1","RK2302","Stilinović, Vladimir; Portada, Tomislav","<i>N</i>-Benzyl-3-nitroaniline","Acta Crystallographica Section E","2011","67","11","o3013","","10.1107/S1600536811042632","","","0.71073","MoKα","","0.0391","0.0343","","","","0.0808","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232441","31.52","0.006","6.1211","0.0012","20.11","0.004","90","","110.92","0.03","90","","3624.2","1.4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,4',5-Triacetoxy-trans-stilbene","5-[2-(4-Acetyloxyphenyl)ethenyl]benzene-1,3-diyl diacetate","","- C20 H18 O6 -","- C20 H18 O6 -","- C160 H144 O48 -","8","1","RK2305","Tang, Lin; Dai, Dongmei; Gong, Yanqing; Zhong, Jialiang","5-[2-(4-Acetyloxyphenyl)ethenyl]benzene-1,3-diyl diacetate","Acta Crystallographica Section E","2011","67","11","o3129","","10.1107/S1600536811044722","","","1.54178","CuKα","","0.0707","0.0601","","","0.178","0.1913","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232442","6.8331","0.0014","6.8804","0.0014","18.618","0.004","99.47","0.03","93.87","0.03","102.69","0.03","837.4","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Benzene-1,3-dicarboxylic acid111,2-bis(4-pyridyl)ethene (1/1)","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","1","RK2306","Liu, Dong; Li, Ni-Ya","Benzene-1,3-dicarboxylic acid‒1,2-bis(4-pyridyl)ethene (1/1)","Acta Crystallographica Section E","2011","67","11","o3039","","10.1107/S1600536811043418","","","0.71073","MoKα","","0.0821","0.0514","","","0.1193","0.1365","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232443","8.042","0.0004","6.0818","0.0003","15.1836","0.0007","90","","101.195","0.001","90","","728.5","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Benzothiazole-2(3<i>H</i>)-selone","","- C7 H5 N S Se -","- C7 H5 N S Se -","- C28 H20 N4 S4 Se4 -","4","1","RK2309","Mammadova, Gunay Z.; Matsulevich, Zhanna V.; Osmanov, Vladimir K.; Borisov, Alexander V.; Khrustalev, Victor N.","1,3-Benzothiazole-2(3<i>H</i>)-selone","Acta Crystallographica Section E","2011","67","11","o3050","","10.1107/S1600536811043339","","","0.71073","MoKα","","0.0172","0.0164","","","0.0409","0.0413","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232444","8.3277","0.0012","8.3277","0.0012","14.334","0.003","90","","90","","90","","994.1","0.3","293","","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Pentalanthanum dizinc stannide","","- La5 Sn Zn2 -","- La5 Sn Zn2 -","- La20 Sn4 Zn8 -","4","0.125","RU2016","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Chumak, Igor; Ehrenberg, Helmut","La~5~Zn~2~Sn","Acta Crystallographica Section E","2011","67","11","i65","","10.1107/S1600536811042413","","","0.71073","MoKα","","0.0371","0.0265","","","0.0532","0.0561","","","","","","1.138","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232445","9.3968","0.0019","11.286","0.002","11.703","0.002","87.2","0.03","84.6","0.03","86.03","0.03","1231.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-1,3-bis[(2-methyl-1<i>H</i>-benzimidazol-1-yl)methyl]benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^}bis(diiodidocadmium)","","- C48 H44 Cd2 I4 N8 -","- C48 H44 Cd2 I4 N8 -","- C48 H44 Cd2 I4 N8 -","1","0.5","RZ2634","Hu, Jiyong; Liu, Junhong; Zhao, Jin'an","Bis{μ-1,3-bis[(2-methyl-1<i>H</i>-benzimidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}bis(diiodidocadmium)","Acta Crystallographica Section E","2011","67","11","m1566","","10.1107/S1600536811042334","","","0.71073","MoKα","","0.0459","0.0374","","","0.075","0.0797","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232446","6.1649","0.0005","11.9489","0.0009","31.982","0.002","90","","90","","90","","2355.9","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Steroid","3α-Dimethylamino-20-(<i>N</i>-methylacetamido)pregn-5-ene","","- C26 H44 N2 O -","- C26 H44 N2 O -","- C104 H176 N8 O4 -","4","1","RZ2641","Yousuf, S.; Musharraf, S. G.; Iqbal, N.; Adhikari, A.; Choudhary, M. I.","3α-Dimethylamino-20-(<i>N</i>-methylacetamido)pregn-5-ene","Acta Crystallographica Section E","2011","67","11","o2918","","10.1107/S160053681103964X","","","0.71073","MoKα","","0.0619","0.0439","","","0.1117","0.1306","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232447","11.9313","0.0009","8.67","0.0007","15.2363","0.0009","90","","112.455","0.005","90","","1456.61","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(2-nitrophenyl)ethylidene]hydrazine","","- C14 H11 N5 O6 -","- C14 H11 N5 O6 -","- C56 H44 N20 O24 -","4","1","RZ2643","Nilwanna, Boonlerd; Chantrapromma, Suchada; Jansrisewangwong, Patcharaporn; Fun, Hoong-Kun","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(2-nitrophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2011","67","11","o3084","o3085","10.1107/S1600536811042620","","","0.71073","MoKα","","0.0548","0.0405","","","0.1009","0.1103","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232448","6.57","0.002","10.343","0.003","12.707","0.003","100.371","0.002","91.864","0.002","101.663","0.002","829.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide methanol monosolvate","","- C16 H17 Cl N2 O4 -","- C16 H17 Cl N2 O4 -","- C32 H34 Cl2 N4 O8 -","2","1","RZ2644","Zhi, Feng; Wang, Rong; Zhang, Yi; Wang, Qiang; Yang, Yi-Lin","4-Chloro-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2011","67","11","o2825","","10.1107/S1600536811039778","","","0.71073","MoKα","","0.0966","0.0511","","","0.1213","0.1438","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232449","7.5478","0.0009","15.8275","0.0017","22.229","0.003","90","","99.727","0.001","90","","2617.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[bis[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']- di-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>-disilver(I)]","","- C56 H52 Ag2 N2 P4 S2 -","- C56 H52 Ag2 N2 P4 S2 -","- C112 H104 Ag4 N4 P8 S4 -","2","0.5","RZ2645","Cui, Li-Na; Jiang, Yu-Han; Zhou, Li-Li; Jin, Qiong-Hua; Zhang, Cun-Lin","Poly[bis[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']-di-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>-disilver(I)]","Acta Crystallographica Section E","2011","67","11","m1529","","10.1107/S1600536811041250","","","0.71073","MoKα","","0.071","0.038","","","0.0664","0.0789","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232450","11.336","0.002","7.744","0.0015","16.157","0.003","90","","95.4","0.03","90","","1412.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C15 H12 Cl F2 N O3 -","- C15 H12 Cl F2 N O3 -","- C60 H48 Cl4 F8 N4 O12 -","4","1","RZ2646","Sun, Hong-shun; Jiang, Long; Li, Yu-Long; Lu, Xin-hua; Xu, Hong","Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2011","67","11","o2974","","10.1107/S160053681104205X","","","0.71073","MoKα","","0.0861","0.0534","","","0.1352","0.1581","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232451","15.4205","0.0002","8.23702","0.0001","15.3832","0.0002","90","","111.3","0.01","90","","1820.49","0.13","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3,6-Dimethoxynaphthalen-2-yl)(2,4,6-trimethylphenyl)methanone","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","RZ2647","Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","(3,6-Dimethoxynaphthalen-2-yl)(2,4,6-trimethylphenyl)methanone","Acta Crystallographica Section E","2011","67","11","o3062","","10.1107/S1600536811042401","","","1.54187","CuKα","","0.0454","0.0433","","","0.1282","0.1303","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232452","14.114","0.004","8.298","0.002","14.629","0.004","90","","93.959","0.002","90","","1709.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-methyl-3-(2-methylprop-1-enyl)-2-oxo-4-phenyl- 1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","RZ2648","Wang, Xi-Cun; Tang, Xue-Hong; Da, Yu-Xia; Zhang, Zhang; Quan, Zheng-Jun","Ethyl 6-methyl-3-(2-methylprop-1-enyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2011","67","11","o2993","","10.1107/S1600536811042243","","","0.71073","MoKα","","0.066","0.0502","","","0.1157","0.1292","","","","","","0.963","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232453","8.075","0.001","9.479","0.001","10.103","0.002","84.9","0.02","78.49","0.01","79.28","0.01","743.46","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2,4-Dichloro-<i>N</i>-(3,5-dichlorophenyl)benzenesulfonamide","","- C12 H7 Cl4 N O2 S -","- C12 H7 Cl4 N O2 S -","- C24 H14 Cl8 N2 O4 S2 -","2","1","RZ2649","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","2,4-Dichloro-<i>N</i>-(3,5-dichlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2976","","10.1107/S160053681104219X","","","0.71073","MoKα","","0.0503","0.0379","","","0.0944","0.1035","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232454","22.8482","0.001","31.2117","0.0013","3.9876","0.0002","90","","90","","90","","2843.7","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C128 H128 O32 S8 -","8","2","RZ2650","Fun, Hoong-Kun; Suwunwong, Thitipone; Anantapong, Teerasak; Karalai, Chatchanok; Chantrapromma, Suchada","(<i>E</i>)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","11","o3074","o3075","10.1107/S1600536811042930","","","0.71073","MoKα","","0.11","0.0657","","","0.1519","0.1776","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232455","9.3711","0.0011","11.721","0.0014","11.964","0.0014","82.814","0.001","88.854","0.001","76.644","0.001","1268.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-(3,4-Dichlorobenzyl)pyridinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato- κ^2^<i>S</i>,<i>S</i>')nickelate(III)","","- C18 H10 Cl2 N Ni S10 -","- C18 H10 Cl2 N Ni S10 -","- C36 H20 Cl4 N2 Ni2 S20 -","2","1","RZ2651","Liu, Guang-Xiang","1-(3,4-Dichlorobenzyl)pyridinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)","Acta Crystallographica Section E","2011","67","11","m1570","","10.1107/S160053681104267X","","","0.71073","MoKα","","0.0349","0.0296","","","0.0777","0.0818","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232456","7.3222","0.0014","12.267","0.002","14.628","0.003","98.425","0.002","98.466","0.002","96.216","0.003","1274.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Iodobenzyl)-3-methylpyridinium bis(benzene-1,2-dithiolato)nickelate(III)","","- C25 H21 I N Ni S4 -","- C25 H21 I N Ni S4 -","- C50 H42 I2 N2 Ni2 S8 -","2","1","RZ2652","Liu, Guang-Xiang","1-(4-Iodobenzyl)-3-methylpyridinium bis(benzene-1,2-dithiolato)nickelate(III)","Acta Crystallographica Section E","2011","67","11","m1607","","10.1107/S1600536811043522","","","0.71073","MoKα","","0.0694","0.0559","","","0.1776","0.1957","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232457","13.69","0.0013","7.9611","0.0007","9.9042","0.001","90","","90","","90","","1079.43","0.18","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(Furan-2-yl)[(furan-2-yl)carbonyldisulfanyl]methanone","","- C10 H6 O4 S2 -","- C10 H6 O4 S2 -","- C40 H24 O16 S8 -","4","0.5","RZ2653","Wang, Qian; Shu, Youqin; Hou, Xuehui","(Furan-2-yl)[(furan-2-yl)carbonyldisulfanyl]methanone","Acta Crystallographica Section E","2011","67","11","o3055","","10.1107/S160053681104356X","","","0.71073","MoKα","","0.046","0.0324","","","0.089","0.1033","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232458","7.2534","0.0002","20.827","0.0006","9.0681","0.0003","90","","106.746","0.004","90","","1311.79","0.07","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(pyridin-2-yl)benzene-1,4-diamine","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","1","RZ2657","Wicher, Barbara; Gdaniec, Maria","A third polymorph of <i>N</i>,<i>N</i>'-bis(pyridin-2-yl)benzene-1,4-diamine","Acta Crystallographica Section E","2011","67","11","o3095","","10.1107/S1600536811044539","","","1.54178","CuKα","","0.0371","0.0353","","","0.0922","0.0936","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232459","9.928","0.0002","14.8845","0.0003","10.2498","0.0002","90","","115.758","0.001","90","","1364.15","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,2'-(2-aminoethylimino)di(ethylammonium)] di-μ-sulfido-bis[disulfidostannate(IV)]","","- C12 H40 N8 S6 Sn2 -","- C12 H40 N8 S6 Sn2 -","- C24 H80 N16 S12 Sn4 -","2","0.5","SI2373","Karey, Emma; Rosmus, Kimberly A.; Aitken, Jennifer A.; MacNeil, Joseph","Bis[2,2'-(2-aminoethylimino)di(ethylammonium)] di-μ-sulfido-bis[disulfidostannate(IV)]","Acta Crystallographica Section E","2011","67","11","m1516","m1517","10.1107/S1600536811038657","","","0.71073","MoKα","","0.0242","0.021","","","0.0558","0.0577","","","","","","1.042","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2232460","12.6248","0.0014","16.5113","0.0018","15.5218","0.0017","90","","94.372","0.001","90","","3226.1","0.6","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Pr(thd)2((CH3)3CCOO)(CH3OH)]2","Di-μ-pivalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>, <i>O</i>'-bis[(methanol-κ<i>O</i>)bis(2,2,6,6-tetramethylheptane-3,5- dionato)praseodymium(III)]","","- C56 H102 O14 Pr2 -","- C56 H102 O14 Pr2 -","- C112 H204 O28 Pr4 -","2","0.5","SU2313","Meng, Qingguo; Cross, Ann M.; May, P. Stanley; Sykes, Andrew G.; Berry, Mary T.","Di-μ-pivalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(methanol-κ<i>O</i>)bis(2,2,6,6-tetramethylheptane-3,5-dionato)praseodymium(III)]","Acta Crystallographica Section E","2011","67","11","m1514","m1515","10.1107/S1600536811040128","","","0.71073","MoKα","","0.05","0.035","","","0.0786","0.0965","","","","","","1.245","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232461","10.4569","0.0006","15.0979","0.0009","19.911","0.0011","90","","101.755","0.006","90","","3077.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olato- κ^2^<i>O</i>,<i>O</i>)bis[2-(2-pyridyl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C39 H35 Ir N2 O2 -","- C39 H35 Ir N2 O2 -","- C156 H140 Ir4 N8 O8 -","4","1","SU2315","Luo, Kaijun; Jia, Juan; Chen, Yanfang; Luo, Daibing","(3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olato-κ^2^<i>O</i>,<i>O</i>)bis[2-(2-pyridyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2011","67","11","m1513","","10.1107/S1600536811039262","","","0.71073","MoKα","","0.0603","0.0376","","","0.072","0.0758","","","","","","0.972","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232462","3.6599","0.0002","24.1977","0.001","11.1963","0.0005","90","","92.344","0.004","90","","990.73","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(7-amino-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-4-ium) bis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cuprate(II) dihydrate","","- C14 H16 Cu N10 O10 -","- C14 H16 Cu N10 O10 -","- C28 H32 Cu2 N20 O20 -","2","0.5","SU2318","Caballero, Ana B.; Castillo, Óscar; Rodríguez-Diéguez, Antonio; Salas, Juan M.","Bis(7-amino-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-4-ium) bis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cuprate(II) dihydrate","Acta Crystallographica Section E","2011","67","11","m1531","m1532","10.1107/S1600536811040724","","","0.71073","MoKα","","0.0615","0.0369","","","0.0873","0.0918","","","","","","0.908","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232463","41.128","0.002","5.7205","0.0005","18.9783","0.0011","90","","90.94","0.004","90","","4464.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","(<i>S</i>)-<i>N</i>-[1-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2- phenylethyl]-4-methylbenzenesulfonamide","","- C24 H23 N3 O3 S2 -","- C24 H23 N3 O3 S2 -","- C192 H184 N24 O24 S16 -","8","2","SU2319","Syed, Tayyaba; Hameed, Shahid; Jones, Peter G.","(<i>S</i>)-<i>N</i>-[1-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2875","o2876","10.1107/S1600536811040669","","","1.54184","CuKα","","0.0353","0.031","","","0.078","0.08","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232464","15.5268","0.0018","29.977","0.004","6.6207","0.0008","90","","90","","90","","3081.6","0.7","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","[(2<i>R</i>,3<i>S</i>,5<i>R</i>)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4- tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate","","- C14 H16 N2 O8 -","- C14 H16 N2 O8 -","- C112 H128 N16 O64 -","8","2","SU2320","Jia, Xue-Fei; Liu, Nan; Fang, Liang-Liang; Zhang, Xin-Ying","[(2<i>R</i>,3<i>S</i>,5<i>R</i>)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate","Acta Crystallographica Section E","2011","67","11","o2951","o2952","10.1107/S1600536811041304","","","0.71073","MoKα","","0.093","0.045","","","0.0896","0.1096","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232465","7.15329","0.00014","7.19541","0.00015","27.2811","0.0005","90","","92.9738","0.0018","90","","1402.29","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-dichlorobenzene-1,4-diol 2,3-dichlorocyclohexa-2,5-diene-1,4-dione monohydrate","","- C12 H8 Cl4 O5 -","- C12 H8 Cl4 O5 -","- C48 H32 Cl16 O20 -","4","1","SU2322","Guégano, Xavier; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","2,3-Dichloro-1,4-hydroquinone 2,3-dichloro-1,4-benzoquinone monohydrate: a quinhydrone-type 1:1 donor-acceptor [<i>D</i>—<i>A</i>] charge-transfer complex","Acta Crystallographica Section E","2011","67","11","o2967","o2968","10.1107/S1600536811041377","","","0.71073","MoKα","","0.0407","0.0307","","","0.0736","0.0771","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232466","16.4319","0.0006","7.8024","0.0003","16.1217","0.0006","90","","111.543","0.002","90","","1922.54","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-[1,3-Phenylenebis(methylene)]dibenzenesulfonamide","","- C20 H20 N2 O4 S2 -","- C20 H20 N2 O4 S2 -","- C80 H80 N8 O16 S8 -","4","0.5","SU2323","Ejaz; Khan, Islam Ullah; Ahmad, Hira; Harrison, William T. A.","<i>N</i>,<i>N</i>'-[1,3-Phenylenebis(methylene)]dibenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o3037","","10.1107/S1600536811040694","","","0.71073","MoKα","","0.0513","0.037","","","0.0945","0.1025","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232467","9.1865","0.0003","19.0679","0.0007","14.387","0.0005","90","","106.122","0.001","90","","2421.02","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-[1,3- phenylenebis(methylene)]dibenzenesulfonamide","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","1","SU2324","Ejaz; Khan, Islam Ullah; Ahmad, Hira; Harrison, William T. A.; Sheikh, Tahir Ali","<i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-[1,3-phenylenebis(methylene)]dibenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o3038","","10.1107/S1600536811040700","","","0.71073","MoKα","","0.0686","0.0448","","","0.114","0.1323","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232468","13.2075","0.0008","6.5888","0.0004","15.1224","0.0008","90","","103.738","0.003","90","","1278.33","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[Chloro(phenyl)methyl]-6-methyl-1,2-benzoxazole","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C60 H48 Cl4 N4 O4 -","4","1","SU2326","Kayalvizhi, M.; Vasuki, G.; Ramamurthi, K.; Veerareddy, A.; Laxminarasimha, G.","3-[Chloro(phenyl)methyl]-6-methyl-1,2-benzoxazole","Acta Crystallographica Section E","2011","67","11","o2999","","10.1107/S1600536811042462","","","0.71073","MoKα","","0.0591","0.0408","","","0.1075","0.1252","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232469","28.6702","0.0005","28.6702","0.0005","9.0146","0.0002","90","","90","","120","","6417.1","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","<i>catena</i>-Poly[[lead(II)-μ-(2-oxidobenzaldehyde isonicotinoylhydrazonato)] methanol monosolvate]","","- C14 H13 N3 O3 Pb -","- C14 H13 N3 O3 Pb -","- C252 H234 N54 O54 Pb18 -","18","1","SU2329","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","<i>catena</i>-Poly[[lead(II)-μ-(2-oxidobenzaldehyde isonicotinoylhydrazonato)] methanol monosolvate]","Acta Crystallographica Section E","2011","67","11","m1583","","10.1107/S1600536811043078","","","0.71073","MoKα","","0.0161","0.0146","","","0.0318","0.0322","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232470","7.3304","0.001","10.5414","0.0015","9.2106","0.0013","90","","105.487","0.002","90","","685.89","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(2,6-difluorobenzylidene)ethane-1,2-diamine","","- C16 H12 F4 N2 -","- C16 H12 F4 N2 -","- C32 H24 F8 N4 -","2","0.5","SU2335","Khaledi, Mohammad; Kia, Reza; Clegg, William; Harrington, Ross W.","(<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(2,6-difluorobenzylidene)ethane-1,2-diamine","Acta Crystallographica Section E","2011","67","11","o3107","","10.1107/S1600536811044692","","","0.71073","MoKα","","0.049","0.0431","","","0.1176","0.1241","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232471","6.4672","0.0008","8.9296","0.0012","14.4939","0.0019","104.956","0.002","94.474","0.002","93.679","0.002","803.1","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^4^-Bis(2,6-difluorobenzylidene)butane-1,4-diamine","","- C18 H16 F4 N2 -","- C18 H16 F4 N2 -","- C36 H32 F8 N4 -","2","1","SU2336","Khaledi, Mohammad; Kia, Reza; Clegg, William; Harrington, Ross W.","(<i>E</i>,<i>E</i>)-<i>N</i>^1^,<i>N</i>^4^-Bis(2,6-difluorobenzylidene)butane-1,4-diamine","Acta Crystallographica Section E","2011","67","11","o3108","","10.1107/S1600536811044801","","","0.71073","MoKα","","0.0454","0.0369","","","0.0931","0.0998","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232472","9.743","0.006","17.41","0.008","7.956","0.003","90","","90.89","0.02","90","","1349.4","1.2","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pentoxifylline","3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione","","- C13 H18 N4 O3 -","- C13 H18 N4 O3 -","- C52 H72 N16 O12 -","4","1","TK2793","Stepanovs, Dmitrijs; Mishnev, Anatoly","Monoclinic polymorph of 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione","Acta Crystallographica Section E","2011","67","11","o2851","","10.1107/S1600536811040232","","","0.71073","MoKα","","0.1271","0.066","","","0.1284","0.1503","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232473","15.0219","0.0009","11.3585","0.0008","7.5077","0.0004","90","","99.73","0.004","90","","1262.58","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylphenyl 4-bromobenzoate","","- C14 H11 Br O2 -","- C14 H11 Br O2 -","- C56 H44 Br4 O8 -","4","1","TK2795","Moreno-Fuquen, Rodolfo; Ellena, Javier; De Simone, Carlos A.","4-Methylphenyl 4-bromobenzoate","Acta Crystallographica Section E","2011","67","11","o2869","","10.1107/S1600536811040426","","","0.71073","MoKα","","0.0722","0.0415","","","0.1052","0.1247","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232474","8.64","0.008","12.561","0.011","19.3","0.02","101.815","0.015","98.817","0.016","107.895","0.011","1898","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis(thiocyanato-κ<i>N</i>)tetrakis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II)‒3,4,5-trimethyl-1<i>H</i>-pyrazole (1/1)","","- C32 H50 N12 Ni S2 -","- C32 H50 N12 Ni S2 -","- C64 H100 N24 Ni2 S4 -","2","1","TK2796","Hossaini Sadr, Moayad; Engle, James T.; Ziegler, Christopher J.; Soltani, Behzad; Mousavi, Zahra","<i>trans</i>-Bis(thiocyanato-κ<i>N</i>)tetrakis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II)‒3,4,5-trimethyl-1<i>H</i>-pyrazole (1/1)","Acta Crystallographica Section E","2011","67","11","m1603","m1604","10.1107/S1600536811041419","","","0.71073","MoKα","","0.1056","0.0733","","","0.1891","0.2398","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232475","14.563","0.002","10.033","0.002","10.162","0.002","90","","92.6","0.02","90","","1483.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Chloro-<i>N</i>-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide","","- C13 H10 Cl3 N O2 S -","- C13 H10 Cl3 N O2 S -","- C52 H40 Cl12 N4 O8 S4 -","4","1","TK2797","Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2939","","10.1107/S1600536811041717","","","0.71073","MoKα","","0.0595","0.0454","","","0.1151","0.1255","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232476","9.2764","0.0011","9.9863","0.0011","12.7115","0.0015","81.695","0.009","75.882","0.01","64.48","0.011","1029.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Butylpyridinium bis(1,2-dicyanoethene-1,2-dithiolato)nicklate(III)","","- C17 H14 N5 Ni S4 -","- C17 H14 N5 Ni S4 -","- C34 H28 N10 Ni2 S8 -","2","1","TK2798","Duan, Hai-Bao","1-Butylpyridinium bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(III)","Acta Crystallographica Section E","2011","67","11","m1567","","10.1107/S1600536811042103","","","1.54178","CuKα","","0.0465","0.036","","","0.1041","0.1092","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232477","17.1738","0.0014","10.5718","0.0008","14.1457","0.0011","90","","101.192","0.005","90","","2519.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde","","- C13 H8 Cl2 N2 O2 -","- C13 H8 Cl2 N2 O2 -","- C104 H64 Cl16 N16 O16 -","8","2","TK2799","Neves, Cláudia M. B.; Fernandes, José A.; Simões, Mário M. Q.; Neves, M. Graça P. M. S.; Cavaleiro, José A. S.; Almeida Paz, Filipe A.","2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde","Acta Crystallographica Section E","2011","67","11","o3022","o3023","10.1107/S1600536811042619","","","0.71073","MoKα","","0.0538","0.0323","","","0.0751","0.0851","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232478","14.2351","0.0002","14.301","0.0003","15.3021","0.0003","64.626","0.001","79.725","0.001","60.96","0.001","2459.04","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tris(dicyclohexylammonium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-1-yl)-1-phosphonatoethane]phosphonate ethanol monosolvate monohydrate","","- C43 H87 N5 O9 P2 -","- C43 H86 N5 O9 P2 -","- C86 H172 N10 O18 P4 -","2","1","TK2800","Sarkar, Anindita; Cukrowski, Ignacy","Tris(dicyclohexylammonium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-1-yl)-1-phosphonatoethane]phosphonate ethanol monosolvate monohydrate","Acta Crystallographica Section E","2011","67","11","o2980","","10.1107/S1600536811042206","","","0.71073","MoKα","","0.0549","0.0394","","","0.1053","0.1132","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232479","12.5888","0.0009","14.1443","0.001","13.2354","0.0011","90","","107.128","0.003","90","","2252.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido{<i>N</i>-[2-(diphenylphosphanyl)benzyl]-1-(pyridin-2-yl)methanamine- κ<i>P</i>}gold(I)","","- C25 H23 Au Cl N2 P -","- C25 H23 Au Cl N2 P -","- C100 H92 Au4 Cl4 N8 P4 -","4","1","TK5001","Traut, Telisha; Kriel, Frederik H.; van Zyl, Werner E.; Williams, D. Bradley G.","Chlorido{<i>N</i>-[2-(diphenylphosphanyl)benzyl]-1-(pyridin-2-yl)methanamine-κ<i>P</i>}gold(I)","Acta Crystallographica Section E","2011","67","11","m1625","","10.1107/S1600536811044205","","","0.71073","MoKα","","0.0444","0.0291","","","0.0618","0.0665","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232480","9.1854","0.0001","16.7389","0.0002","13.7379","0.0002","90","","98.283","0.001","90","","2090.22","0.05","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(4-bromophenyl)-1-[3-(1<i>H</i>-imidazol-1-yl)propyl]- 1<i>H</i>-benzimidazole-5-carboxylate monohydrate","","- C22 H23 Br N4 O3 -","- C22 H23 Br N4 O3 -","- C88 H92 Br4 N16 O12 -","4","1","TK5002","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Hemamalini, Madhukar; Fun, Hoong-Kun","Ethyl 2-(4-bromophenyl)-1-[3-(1<i>H</i>-imidazol-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate monohydrate","Acta Crystallographica Section E","2011","67","11","o3060","","10.1107/S160053681104342X","","","0.71073","MoKα","","0.0612","0.0369","","","0.0776","0.0849","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232481","10.3679","0.0005","8.8238","0.0004","15.7591","0.0008","90","","90.893","0.003","90","","1441.53","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","ammine-triphenylborane","Ammonia‒triphenylborane","","- C18 H18 B N -","- C18 H18 B N -","- C72 H72 B4 N4 -","4","2","TK5004","Dabrowski, Marek; Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz; Warkocka, Jolanta","Ammonia‒triphenylborane","Acta Crystallographica Section E","2011","67","11","o3098","","10.1107/S1600536811044503","","","0.71073","MoKα","","0.0747","0.0432","","","0.0948","0.0961","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232482","8.1681","0.001","9.548","0.0011","10.1137","0.0012","84.543","0.002","71.4","0.002","71.475","0.002","708.81","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^1^,<i>N</i>^2^)palladium(II)","","- C14 H10 Cl2 N4 Pd -","- C14 H10 Cl2 N4 Pd -","- C28 H20 Cl4 N8 Pd2 -","2","1","TK5006","Ha, Kwang","Dichlorido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^1^,<i>N</i>^2^)palladium(II)","Acta Crystallographica Section E","2011","67","11","m1634","","10.1107/S1600536811044369","","","0.71073","MoKα","","0.0794","0.0458","","","0.0774","0.1146","","","","","","1.236","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232483","5.2112","0.0002","15.5354","0.0005","13.8711","0.0005","90","","105.855","0.002","90","","1080.26","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Nitroisatin-3-thiosemicarbazone","1-(5-Nitro-2-oxoindolin-3-ylidene)thiosemicarbazide","","- C9 H7 N5 O3 S -","- C9 H7 N5 O3 S -","- C36 H28 N20 O12 S4 -","4","1","VM2117","Bandeira, Katlen C. T.; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg; de Oliveira, Adriano Bof","1-(5-Nitro-2-oxoindolin-3-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2011","67","11","o2858","","10.1107/S1600536811040293","","","0.71073","MoKα","","0.0767","0.0405","","","0.0905","0.1077","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232484","11.9999","0.0003","14.6811","0.0003","8.0806","0.0002","90","","109.509","0.001","90","","1341.84","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(2-chlorophenyl)thiourea","","- C13 H10 Cl2 N2 S -","- C13 H10 Cl2 N2 S -","- C52 H40 Cl8 N8 S4 -","4","1","VM2125","Yeo, Chien Ing; Tiekink, Edward R. T.","1,3-Bis(2-chlorophenyl)thiourea: a monoclinic polymorph","Acta Crystallographica Section E","2011","67","11","o2965","","10.1107/S1600536811041894","","","0.71073","MoKα","","0.0596","0.0375","","","0.0802","0.09","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232485","9.0479","0.0018","14.922","0.003","7.4711","0.0015","90","","94.17","0.03","90","","1006","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[2-methyl-1<i>H</i>-imidazol-3-ium [(aquachloridocadmate)-di-μ-chlorido]]","","- C4 H9 Cd Cl3 N2 O -","- C4 H9 Cd Cl3 N2 O -","- C16 H36 Cd4 Cl12 N8 O4 -","4","1","VM2126","Zhu, Run-Qiang","<i>catena</i>-Poly[2-methyl-1<i>H</i>-imidazol-3-ium [(aquachloridocadmate)-di-μ-chlorido]]","Acta Crystallographica Section E","2011","67","11","m1584","","10.1107/S1600536811042905","","","0.71073","MoKα","","0.0373","0.0325","","","0.0797","0.0825","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232486","7.339","0.0015","7.688","0.0015","24.113","0.005","90.54","0.03","92.18","0.03","94.23","0.03","1355.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid","","- C14 H8 Cl F3 O3 -","- C14 H8 Cl F3 O3 -","- C56 H32 Cl4 F12 O12 -","4","2","VM2129","Liu, Yan-Ju; Liu, Jie","3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid","Acta Crystallographica Section E","2011","67","11","o3049","","10.1107/S1600536811043479","","","0.71073","MoKα","","0.1763","0.0676","","","0.1192","0.1665","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232487","10.6101","0.0002","8.5749","0.0001","13.6083","0.0002","90","","97.149","0.001","90","","1228.47","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-Fluoro-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","","- C13 H13 F O3 S -","- C13 H13 F O3 S -","- C52 H52 F4 O12 S4 -","4","1","VM2132","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(5-Fluoro-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2011","67","11","o3112","","10.1107/S1600536811044436","","","0.71073","MoKα","","0.0361","0.0323","","","0.0818","0.0844","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232488","11.6395","0.0002","8.3692","0.0001","25.5235","0.0004","90","","101.46","0.002","90","","2436.76","0.07","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-benzoato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[aquabis(benzoato-κ^2^<i>O</i>,<i>O</i>')(dimethylformamide- κ<i>O</i>)europium(III)]","","- C48 H48 Eu2 N2 O16 -","- C48 H48 Eu2 N2 O16 -","- C96 H96 Eu4 N4 O32 -","2","0.5","VN2018","Wang, Zhiliang; Zhou, Xianju","Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aquabis(benzoato-κ^2^<i>O</i>,<i>O</i>')(dimethylformamide-κ<i>O</i>)europium(III)]","Acta Crystallographica Section E","2011","67","11","m1579","m1580","10.1107/S1600536811042735","","","1.54184","CuKα","","0.0489","0.0445","","","0.114","0.12","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232489","20.8852","0.0012","20.8852","0.0012","37.62","0.004","90","","90","","120","","14211.1","1.9","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Dichloridobis[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4- triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]chromium(III) chloride","","- C30 H28 Cl3 Cr N8 O2 -","- C30 H28 Cl2.99933 Cr N8 O2 -","- C540 H504 Cl53.988 Cr18 N144 O36 -","18","0.5","WM2515","Jin, Xiaofei; Wang, Zuoxiang; Cao, Shouping","Dichloridobis[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]chromium(III) chloride","Acta Crystallographica Section E","2011","67","11","m1492","","10.1107/S1600536811039328","","","0.71073","MoKα","","0.0512","0.0389","","","0.1132","0.1194","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232490","14.054","0.003","14.054","0.003","6.1718","0.0016","90","","90","","90","","1219","0.5","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Heptasodium tetraaluminium tetrakis(diphosphate) orthophosphate","","- Al4 Na7 O32 P9 -","- Al4 Na7 O32 P9 -","- Al8 Na14 O64 P18 -","2","0.25","WM2530","Zhao, Dan","Heptasodium tetraaluminium tetrakis(diphosphate) orthophosphate, Na~7~Al~4~(P~2~O~7~)~4~(PO~4~)","Acta Crystallographica Section E","2011","67","11","i64","","10.1107/S1600536811041729","","","0.71073","MoKα","","0.0181","0.017","","","0.0467","0.0471","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232491","14.0171","0.0008","14.0171","0.0008","15.3966","0.0014","90","","90","","120","","2619.8","0.3","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) μ-oxido-bis[trichloridoferrate(III)]","","- C18 H42 Cl6 Fe2 Mn N6 O7 -","- C18 H42 Cl6 Fe2 Mn N6 O7 -","- C54 H126 Cl18 Fe6 Mn3 N18 O21 -","3","0.166667","WM2531","Chygorin, Eduard N.; Petrusenko, Svitlana R.; Kokozay, Volodymyr N.; Smal, Yuri O.; Omelchenko, Irina V.; Shishkin, Oleg V.","Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) μ-oxido-bis[trichloridoferrate(III)]","Acta Crystallographica Section E","2011","67","11","m1563","m1564","10.1107/S1600536811041523","","","0.71073","MoKα","","0.0505","0.0385","","","0.0873","0.0924","","","","","","0.981","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232492","11.763","0.01","12.402","0.012","13.284","0.013","84.66","0.03","78.19","0.03","76.33","0.03","1841","3","294.15","","294","","","","","","","","","7","P -1","-P 1","2","","[1,2-Bis(diphenylphosphanyl)ethane-2κ^2^<i>P</i>,<i>P</i>']tetracarbonyl- 1κ^3^<i>C</i>,2κ<i>C</i>-(μ-3-cyclopentyl-2-azapropane-1,3-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')diiron(II)(<i>Fe</i>—<i>Fe</i>)","","- C37 H37 Fe2 N O4 P2 S2 -","- C37 H37 Fe2 N O4 P2 S2 -","- C74 H74 Fe4 N2 O8 P4 S4 -","2","1","WM2535","Si, Youtao; Chen, Hui; Chen, ChangNeng","[1,2-Bis(diphenylphosphanyl)ethane-2κ^2^<i>P</i>,<i>P</i>']tetracarbonyl-1κ^3^<i>C</i>,2κ<i>C</i>-(μ-2-cyclopentyl-2-azapropane-1,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')diiron(II)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2011","67","11","m1500","m1501","10.1107/S1600536811040347","","","0.71073","MoKα","","0.125","0.0694","","","0.1658","0.2086","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232493","10.0816","0.0009","10.7844","0.001","13.7316","0.0012","79.174","0.001","78.771","0.002","86.355","0.002","1437.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tetraaquatetrakis[μ~3~-5-(pyridine-4- carboxamido)isophthalato]cobalt(II)dierbium(III)] tetrahydrate]","","- C56 H48 Co Er2 N8 O28 -","- C56 H48 Co Er2 N8 O28 -","- C56 H48 Co Er2 N8 O28 -","1","0.5","WM2536","Deng, Yi-Fang; Chen, Man-Sheng; Zhang, Chun-Hua; Tan, Xiong-Wen","Poly[[tetraaquatetrakis[μ~3~-5-(pyridine-4-carboxamido)isophthalato]cobalt(II)dierbium(III)] tetrahydrate]","Acta Crystallographica Section E","2011","67","11","m1478","m1479","10.1107/S1600536811039948","","","0.71073","MoKα","","0.054","0.0523","","","0.1349","0.1363","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232494","23.6748","0.0014","11.6289","0.0007","9.644","0.0006","90","","96.353","0.004","90","","2638.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~2~-2- phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')cobalt(II)]","","- C28 H26 Co N2 O6 -","- C28 H26 Co N2 O6 -","- C112 H104 Co4 N8 O24 -","4","0.5","WM2537","Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang","Poly[(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~2~-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')cobalt(II)]","Acta Crystallographica Section E","2011","67","11","m1587","m1588","10.1107/S1600536811042875","","","0.71073","MoKα","","0.0321","0.0267","","","0.0657","0.0677","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232495","17.632","0.004","17.632","0.004","20.955","0.003","90","","90","","90","","6515","2","122","1","122","1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","Cr-F-Nd square","<i>cyclo</i>-Tetra-μ-fluorido-1:2κ^2^<i>F</i>;2:3κ^2^<i>F</i>; 3:4κ^2^<i>F</i>;1:4κ^2^<i>F</i>-octanitrato-1κ^8^<i>O</i>,<i>O</i>'; 3κ^8^<i>O</i>,<i>O</i>'-tetrakis(1,10-phenanthroline)- 2κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'-2,4-dichromium(III)- 1,3-dineodymium(III) methanol tetrasolvate monohydrate","","- C52 H50 Cr2 F4 N16 Nd2 O29 -","- C52 H48 Cr2 F4 N16 Nd2 O29 -","- C208 H192 Cr8 F16 N64 Nd8 O116 -","4","0.25","WM2538","Birk, Torben; Schau-Magnussen, Magnus; Weyhermüller, Thomas; Bendix, Jesper","<i>cyclo</i>-Tetra-μ-fluorido-1:2κ^2^<i>F</i>;2:3κ^2^<i>F</i>;3:4κ^2^<i>F</i>;1:4κ^2^<i>F</i>-octanitrato-1κ^8^<i>O</i>,<i>O</i>';3κ^8^<i>O</i>,<i>O</i>'-tetrakis(1,10-phenanthroline)-2κ^4^<i>N</i>,<i>N</i>';4κ^4^<i>N</i>,<i>N</i>'-2,4-dichromium(III)-1,3-dineodymium(III) methanol tetrasolvate monohydrate","Acta Crystallographica Section E","2011","67","11","m1561","m1562","10.1107/S1600536811042383","","","0.71073","MoKα","","0.067","0.0357","","","0.0749","0.1024","","","","","","1.265","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232496","11.8324","0.0006","10.4423","0.0004","8.0903","0.0004","90","","110.48","0.004","90","","936.44","0.08","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","tetracopper dicadmium hexadecaarsenide","","- As16 Cd1.65 Cu4.35 -","- As16 Cd1.652 Cu4.348 -","- As32 Cd3.304 Cu8.696 -","2","0.25","WM2539","Osters, Oliver; Nilges, Tom","Cu~4.35~Cd~1.65~As~16~: the first polyarsenic compound in the Cu‒Cd‒As system","Acta Crystallographica Section E","2011","67","11","i62","","10.1107/S1600536811042127","","","0.71073","MoKα","","0.0464","0.0355","","","0.0693","0.0721","","","","","","1.83","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232497","7.853","0.0001","10.6264","0.0001","14.125","0.0002","98.801","0.001","105.523","0.001","102.383","0.001","1081.23","0.02","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(2-Carbamoylethyl-κ^2^<i>C</i>^1^,<i>O</i>)triiodidotin(IV)","","- C3 H6 I3 N O Sn -","- C3 H6 I3 N O Sn -","- C12 H24 I12 N4 O4 Sn4 -","4","2","WM2541","de Lima, Geraldo M.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","(2-Carbamoylethyl-κ^2^<i>C</i>^1^,<i>O</i>)triiodidotin(IV)","Acta Crystallographica Section E","2011","67","11","m1536","m1537","10.1107/S1600536811041778","","","0.71073","MoKα","","0.0279","0.0273","","","0.0784","0.0788","","","","","","1.118","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232498","7.02312","0.00014","7.77072","0.00015","41.1902","0.0008","89.5447","0.0015","88.6733","0.0016","84.8679","0.0016","2238.29","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","rubidium <i>trans</i>-2-nitrocinnamate 1.5 hydrate","Poly[tetra-μ-aqua-diaquatetrakis[μ-(<i>E</i>)-2-nitrocinnamato]tetrarubidium]","","- C9 H9 N O5.5 Rb -","- C9 H9 N O5.5 Rb -","- C72 H72 N8 O44 Rb8 -","8","4","WM2542","Smith, Graham; Wermuth, Urs D.","Poly[tetra-μ-aqua-diaquatetrakis[μ-(<i>E</i>)-2-nitrocinnamato]tetrarubidium]","Acta Crystallographica Section E","2011","67","11","m1594","m1595","10.1107/S1600536811043406","","","0.71073","MoKα","","0.0641","0.0388","","","0.0603","0.0641","","","","","","1.053","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2232499","7.4572","0.0015","18.297","0.004","8.7321","0.0017","90","","113.6","0.03","90","","1091.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane]dichloridonickel(II)]","","- C20 H28 Cl2 N8 Ni -","- C20 H28 Cl2 N8 Ni -","- C40 H56 Cl4 N16 Ni2 -","2","0.5","WM2543","Zhang, Jia; Song, Jiang-Feng","Poly[bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane]dichloridonickel(II)]","Acta Crystallographica Section E","2011","67","11","m1633","","10.1107/S1600536811044448","","","0.71073","MoKα","","0.0439","0.0373","","","0.0868","0.0888","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232500","9.5135","0.0001","26.9042","0.0003","6.7837","0.0001","90","","107.686","0.001","90","","1654.24","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl pyrido[2,3-<i>b</i>]pyrazine-3-carboxylate","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C72 H56 N24 O16 -","8","2","WN2453","Fun, Hoong-Kun; Hemamalini, Madhukar; Hazra, Anita; Goswami, Shyamaprosad","Methyl pyrido[2,3-<i>b</i>]pyrazine-3-carboxylate","Acta Crystallographica Section E","2011","67","11","o3120","","10.1107/S1600536811044412","","","0.71073","MoKα","","0.0495","0.0413","","","0.1084","0.1148","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232501","8.771","0.0003","10.871","0.0004","12.672","0.0004","90","","90","","90","","1208.27","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-(2,6-Dibromo-4-fluoroanilino)pent-3-en-2-one","","- C11 H10 Br2 F N O -","- C11 H10 Br2 F N O -","- C44 H40 Br8 F4 N4 O4 -","4","1","WN2454","Venter, Gertruida J.S.; Steyl, Gideon; Roodt, Andreas","4-(2,6-Dibromo-4-fluoroanilino)pent-3-en-2-one","Acta Crystallographica Section E","2011","67","11","o3092","o3093","10.1107/S1600536811044606","","","0.71073","MoKα","","","0.0281","","","","0.0628","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232502","7.6598","0.0001","8.1117","0.0001","12.9966","0.0002","90","","94.466","0.001","90","","805.079","0.019","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>,<i>E</i>)-1,2-Bis[4-(prop-2-yn-1-yloxy)benzylidene]hydrazine","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","XU5328","Al-Mehana, Wisam Naji Atiyah; Yahya, Rosiyah; Lo, Kong Mun","(<i>E</i>,<i>E</i>)-1,2-Bis[4-(prop-2-yn-1-yloxy)benzylidene]hydrazine","Acta Crystallographica Section E","2011","67","11","o2900","","10.1107/S160053681104102X","","","0.71073","MoKα","","0.0397","0.0371","","","0.1073","0.1112","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232503","5.246","0.0012","11.781","0.005","12.4","0.005","102.347","0.003","100.93","0.004","101.874","0.004","710.4","0.4","293","2","294","2","","","","","","","","6","P -1","-P 1","2","","Methyl (<i>E</i>)-3-(2-bromo-4,5-dimethoxybenzylidene)dithiocarbazate","","- C11 H13 Br N2 O2 S2 -","- C11 H13 Br N2 O2 S2 -","- C22 H26 Br2 N4 O4 S4 -","2","1","XU5332","Fan, Zheng; Huang, Yan-Lan; Tong, Fang; Huang, Yi-Wei; Shan, Shang","Methyl (<i>E</i>)-3-(2-bromo-4,5-dimethoxybenzylidene)dithiocarbazate","Acta Crystallographica Section E","2011","67","11","o2919","","10.1107/S1600536811039304","","","0.71073","MoKα","","0.0493","0.0345","","","0.0735","0.0792","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232504","13.8981","0.0007","11.7006","0.0008","10.5034","0.0005","90","","95.318","0.005","90","","1700.67","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Chloro-2-{[4-(3,5-dichloropyridin-2-yloxy)phenylimino]methyl}phenol","","- C18 H11 Cl3 N2 O2 -","- C18 H11 Cl3 N2 O2 -","- C72 H44 Cl12 N8 O8 -","4","1","XU5335","Ji, Hong-Bo; Zhang, Pei-Zhi; Wu, Jun","(<i>E</i>)-4-Chloro-2-{[4-(3,5-dichloropyridin-2-yloxy)phenylimino]methyl}phenol","Acta Crystallographica Section E","2011","67","11","o2984","","10.1107/S1600536811041584","","","0.71073","MoKα","","0.0654","0.0397","","","0.0871","0.1004","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232505","15.6696","0.0014","11.7501","0.0011","15.9042","0.0016","90","","90","","90","","2928.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-1-(phenylsulfonyl)propan-2-ol","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C128 H144 O24 S8 -","8","1","XU5336","Shi, Bao-Jun; Huang, Liang-Zhu; Li, You-Qiang; Si, Chang-Mei; Du, Zhen-Ting","2-(4-Methylphenyl)-1-(phenylsulfonyl)propan-2-ol","Acta Crystallographica Section E","2011","67","11","o2845","","10.1107/S1600536811039894","","","0.71073","MoKα","","0.0907","0.0436","","","0.1026","0.1414","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232506","10.5661","0.0006","6.9715","0.0004","18.4141","0.001","90","","101.858","0.001","90","","1327.47","0.13","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Ethyl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","XU5338","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Khalilov, Ali N.; Gurbanov, Atash V.; Ng, Seik Weng","(<i>E</i>)-Ethyl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2011","67","11","o2830","","10.1107/S1600536811040013","","","0.71073","MoKα","","0.0681","0.0459","","","0.1213","0.1343","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232507","9.9738","0.0009","10.9397","0.001","27.91","0.003","90","","90","","90","","3045.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(<i>R</i>)-(6-Bromo-2-methoxyquinolin-3- yl)(phenyl)methyl]-<i>N</i>-[(<i>S</i>)-1-(4-methoxyphenyl)ethyl]- 2-(piperazin-1-yl)acetamide","","- C32 H35 Br N4 O3 -","- C32 H35 Br N4 O3 -","- C128 H140 Br4 N16 O12 -","4","1","XU5339","Yuan, Lei; Wang, Rui; Li, Chang-Yi; Wang, Zhi-Qiang; Sun, Tie-Min","<i>N</i>-[(<i>R</i>)-(6-Bromo-2-methoxyquinolin-3-yl)(phenyl)methyl]-<i>N</i>-[(<i>S</i>)-1-(4-methoxyphenyl)ethyl]-2-(piperazin-1-yl)acetamide","Acta Crystallographica Section E","2011","67","11","o2921","","10.1107/S1600536811040955","","","0.71073","MoKα","","0.0772","0.0564","","","0.1561","0.1703","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232508","16.1116","0.0006","4.8211","0.0002","27.5125","0.001","90","","92.574","0.003","90","","2134.89","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-(3,5-dimethylbenzyl)-5-ethyl-1-(phenoxyethoxymethyl)uracil","6-(3,5-Dimethylbenzyl)-5-ethyl-1-[(2-phenoxyethoxy)methyl]-1,2,3,4- tetrahydropyrimidine-2,4-dione","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","XU5341","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Ng, Seik Weng","6-(3,5-Dimethylbenzyl)-5-ethyl-1-[(2-phenoxyethoxy)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione","Acta Crystallographica Section E","2011","67","11","o2839","","10.1107/S1600536811039821","","","1.54184","CuKα","","0.0754","0.048","","","0.1104","0.1298","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232509","11.8548","0.0006","12.3969","0.0008","8.1676","0.0004","90","","107.45","0.03","90","","1145.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Benzyl-6,7-dihydro-5<i>H</i>-pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","XU5342","Sun, Hong-Shun; Jiang, Long; Xu, Hong; Lu, Xin-Hua; Li, Yu-Long","6-Benzyl-6,7-dihydro-5<i>H</i>-pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione","Acta Crystallographica Section E","2011","67","11","o2895","","10.1107/S1600536811041006","","","0.71073","MoKα","","0.1152","0.0582","","","0.1457","0.1736","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232510","22.215","0.003","8.6259","0.0013","15.062","0.002","90","","122.097","0.002","90","","2445.1","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-(1-Phenylethylidene)indolin-2-one","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","1","XU5343","Wang, Qi; Zhang, Yue-Jun; Yuan, Mao-Sen; Wang, Jun-Ru","(<i>E</i>)-3-(1-Phenylethylidene)indolin-2-one","Acta Crystallographica Section E","2011","67","11","o2929","","10.1107/S1600536811041316","","","0.71073","MoKα","","0.061","0.04","","","0.1062","0.1249","","","","","","0.914","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232511","8.2645","0.0003","5.6449","0.0002","23.8341","0.0009","90","","98.147","0.002","90","","1100.69","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Hydroxyphenyl)-1,3-benzothiazole-6-carbaldehyde","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","1","XU5345","Chen, Kew-Yu; Fang, Tzu-Chien; Chang, Ming-Jen; Tsai, Hsing-Yang; Luo, Ming-Hui","2-(2-Hydroxyphenyl)-1,3-benzothiazole-6-carbaldehyde","Acta Crystallographica Section E","2011","67","11","o2862","","10.1107/S1600536811040712","","","0.71073","MoKα","","0.0454","0.0291","","","0.0558","0.0575","","","","","","0.895","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232512","5.323","0.003","12.664","0.006","15.993","0.008","90","","90","","90","","1078.1","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Methyl-5-nitro-1<i>H</i>-imidazole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C32 H40 N24 O16 -","8","1","XU5346","Diao, Ying; Wang, Wen-Yan; Wei, Zhi-Hua; Wang, Jian-Long","1-Methyl-5-nitro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","11","o3072","","10.1107/S1600536811041705","","","0.71073","MoKα","","0.044","0.0359","","","0.084","0.0884","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232513","14.099","0.007","8.227","0.004","15.356","0.008","90","","114.758","0.007","90","","1617.5","1.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2',4,4',6-pentanitrobibenzyl","2-[2-(2,4-Dinitrophenyl)ethyl]-1,3,5-trinitrobenzene","","- C14 H9 N5 O10 -","- C14 H9 N5 O10 -","- C56 H36 N20 O40 -","4","1","XU5347","Wei, Zhi-Hua; Wang, Wen-Yan; Diao, Ying; Wang, Jian-Long","2-[2-(2,4-Dinitrophenyl)ethyl]-1,3,5-trinitrobenzene","Acta Crystallographica Section E","2011","67","11","o2898","","10.1107/S1600536811041031","","","0.71073","MoKα","","0.0525","0.0399","","","0.1008","0.1065","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232514","5.8468","0.0005","8.1253","0.0011","17.977","0.002","90","","97.154","0.008","90","","847.38","0.17","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(2,4,6-trinitrophenyl)ethane","","- C14 H8 N6 O12 -","- C14 H8 N6 O12 -","- C28 H16 N12 O24 -","2","0.5","XU5348","Wang, Wen-Yan; Diao, Ying; Wei, Zhi-Hua; Wang, Jian-Long","1,2-Bis(2,4,6-trinitrophenyl)ethane","Acta Crystallographica Section E","2011","67","11","o3044","","10.1107/S1600536811042802","","","0.71073","MoKα","","0.0439","0.0343","","","0.0952","0.0992","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232515","9.8527","0.0005","7.283","0.0004","14.6432","0.0009","90","","100.879","0.001","90","","1031.87","0.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(μ~2~-2,2- dimethylcyclopentane-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)cadmium]","","- C19 H20 Cd N2 O4 -","- C19 H20 Cd N2 O4 -","- C38 H40 Cd2 N4 O8 -","2","0.5","XU5349","Zhang, Xian-Fa; Gao, Shan; Ng, Seik Weng","Poly[(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(μ~2~-2,2-dimethylcyclopentane-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)cadmium]","Acta Crystallographica Section E","2011","67","11","m1593","","10.1107/S1600536811042656","","","0.71073","MoKα","","0.0737","0.0537","","","0.143","0.1708","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232516","19.1255","0.0004","9.5702","0.0002","8.6312","0.0001","90","","90.383","0.001","90","","1579.78","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenol","","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","- C68 H104 N4 O4 -","2","0.5","XU5350","Tee, Jia Ti; Abdullah, Norbani; Khaledi, Hamid","4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2011","67","11","o2954","","10.1107/S1600536811041614","","","0.71073","MoKα","","0.0526","0.0428","","","0.108","0.1144","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232517","10.267","0.005","5.15","0.002","31.686","0.011","90","","97.141","0.005","90","","1662.4","1.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazate","","- C16 H16 N2 O S2 -","- C16 H16 N2 O S2 -","- C64 H64 N8 O4 S8 -","4","1","XU5352","Fan, Zheng; Huang, Yan-Lan; Wang, Zhao; Guo, Han-Qi; Shan, Shang","Benzyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazate","Acta Crystallographica Section E","2011","67","11","o3011","","10.1107/S1600536811042140","","","0.71073","MoKα","","0.0984","0.0551","","","0.1141","0.1285","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232518","6.26","0.003","11.889","0.005","12.235","0.005","111.931","0.005","91.725","0.004","99.771","0.004","828.1","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Benzyl (<i>E</i>)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate","","- C16 H15 Br N2 O S2 -","- C16 H15 Br N2 O S2 -","- C32 H30 Br2 N4 O2 S4 -","2","1","XU5353","Fan, Zheng; Huang, Yan-Lan; Wang, Zhao; Guo, Han-Qi; Shan, Shang","Benzyl (<i>E</i>)-3-(2-bromo-5-methoxybenzylidene)dithiocarbazate","Acta Crystallographica Section E","2011","67","11","o3015","","10.1107/S1600536811042826","","","0.71073","MoKα","","0.0491","0.0335","","","0.0648","0.0694","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232519","6.8219","0.0018","9.55","0.003","10.449","0.003","108.177","0.003","102.381","0.004","98.602","0.004","614.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Benzene-1,4-diol‒5-(1<i>H</i>-imidazol-1-yl)pyrimidine (1/1)","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C26 H24 N8 O4 -","2","1","XU5356","Jiang, Yan-Ke; Hou, Gui-Ge","Benzene-1,4-diol‒5-(1<i>H</i>-imidazol-1-yl)pyrimidine (1/1)","Acta Crystallographica Section E","2011","67","11","o3073","","10.1107/S1600536811043819","","","0.71073","MoKα","","0.0549","0.0454","","","0.1085","0.1152","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232520","9.854","0.004","9.948","0.004","14.139","0.006","98.537","0.004","106.668","0.004","99.737","0.004","1279.9","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-[4-(1<i>H</i>-Tetrazol-5-yl)phenoxy]benzaldehyde","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","2","XU5357","Lu, Jing; Xu, Jiao; Ni, Li-Wei; Ma, Wei-Li; Du, Zhen-Ting","4-[4-(1<i>H</i>-Tetrazol-5-yl)phenoxy]benzaldehyde","Acta Crystallographica Section E","2011","67","11","o3106","","10.1107/S1600536811044254","","","0.71073","MoKα","","0.1057","0.0557","","","0.1177","0.1417","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232521","12.2001","0.0005","8.8473","0.0004","17.1341","0.0005","90","","136.08","0.002","90","","1282.86","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(4-fluorobenzoato-κ<i>O</i>)bis(nicotinamide- κ<i>N</i>^1^)nickel(II)","","- C26 H24 F2 N4 Ni O8 -","- C26 H24 F2 N4 Ni O8 -","- C52 H48 F4 N8 Ni2 O16 -","2","0.5","XU5359","Necefoğlu, Hacali; Öztürk, Vijdan; Özbek, Füreya Elif; Adıgüzel, Vedat; Hökelek, Tuncer","<i>trans</i>-Diaquabis(4-fluorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)nickel(II)","Acta Crystallographica Section E","2011","67","11","m1638","m1639","10.1107/S1600536811044771","","","0.71073","MoKα","","0.0349","0.0295","","","0.0745","0.0773","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232522","10.3054","0.0013","9.2376","0.0012","21.892","0.003","90","","90","","90","","2084.1","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate","","- C11 H9 N O5 -","- C11 H9 N O5 -","- C88 H72 N8 O40 -","8","1","YK2020","Zhu, Haifeng; Guo, Miao; Chen, Han; Jin, Haixiao; Liang, Hongze","2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate","Acta Crystallographica Section E","2011","67","11","o2863","","10.1107/S1600536811040566","","","0.71073","MoKα","","0.0494","0.0348","","","0.0746","0.0821","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232523","7.8527","0.0008","8.0281","0.0009","12.0022","0.0013","97.934","0.009","89.227","0.009","117.867","0.008","661.37","0.13","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]naphtho[2,3-<i>e</i>][1,4]dithiine- 5,10-dione","","- C13 H4 O2 S5 -","- C13 H4 O2 S5 -","- C26 H8 O4 S10 -","2","1","YK2021","Méndez-Rojas, Miguel Angel; Bernès, Sylvain; Pérez-Benítez, Aarón; Romero Zarazúa, María Fernanda; Castellanos-Uribe, Adrián","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]naphtho[2,3-<i>e</i>][1,4]dithiine-5,10-dione","Acta Crystallographica Section E","2011","67","11","o2837","","10.1107/S1600536811039079","","","0.71073","MoKα","","0.0533","0.0345","","","0.0807","0.0903","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232524","14.3297","0.0014","15.7428","0.0016","17.1867","0.0016","90","","90","","90","","3877.1","0.7","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[1-<i>tert</i>-Butyl-3-(pyridin-2-ylmethyl-κ<i>N</i>)imidazol-2- ylidene-κ<i>C</i>^1^]carbonyldichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","- C16 H23 Cl2 N3 O2 Ru S -","- C16 H23 Cl2 N3 O2 Ru S -","- C128 H184 Cl16 N24 O16 Ru8 S8 -","8","1","ZB2017","Cheng, Yong; Hua, Wen-Qian; Zhou, Ying-Hua","[1-<i>tert</i>-Butyl-3-(pyridin-2-ylmethyl-κ<i>N</i>)imidazol-2-ylidene-κ<i>C</i>^1^]carbonyldichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","Acta Crystallographica Section E","2011","67","11","m1573","","10.1107/S1600536811042590","","","0.71073","MoKα","","0.0458","0.0395","","","0.1067","0.1098","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232525","7.3497","0.0002","11.1642","0.0003","17.0758","0.0012","90","","90","","90","","1401.13","0.11","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(8S)-12,17-Epoxy-13,14,15,16-tetranorlabdane (pyamber)","(4a<i>R</i>,6a<i>S</i>,10a<i>R</i>,10b<i>S</i>)-7,7,10a- Trimethyl-1,4,4a,5,6,6a,7,8,9,10,10a,10b- dodecahydro-2<i>H</i>-naphtho[2,1-<i>c</i>]pyran","","- C16 H28 O -","- C16 H28 O -","- C64 H112 O4 -","4","1","ZJ2024","Evans, Gary B.; Gainsford, Graeme J.","(4a<i>R</i>,6a<i>S</i>,10a<i>R</i>,10b<i>S</i>)-7,7,10a-Trimethyl-1,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-2<i>H</i>-naphtho[2,1-<i>c</i>]pyran (Pyamber)","Acta Crystallographica Section E","2011","67","11","o2870","","10.1107/S1600536811038694","","","1.54178","CuKα","","0.0366","0.034","","","0.0884","0.0912","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232526","6.6916","0.0002","7.4708","0.0002","12.6414","0.0003","100.459","0.001","93.019","0.002","102.043","0.001","605.09","0.03","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-2-(4-Nitrobenzylidene)-1-benzofuran-3(2<i>H</i>)-one","","- C15 H9 N O4 -","- C15 H9 N O4 -","- C30 H18 N2 O8 -","2","1","ZJ2025","Reddy, J. Satyanarayana; Ravikumar, N.; Prasad, J. Venkata; Krishna, G. Gopi; Solomon, K. Anand","(<i>Z</i>)-2-(4-Nitrobenzylidene)-1-benzofuran-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o2961","","10.1107/S1600536811041869","","","0.71073","MoKα","","0.0414","0.0365","","","0.0993","0.1051","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232527","9.13","0.0013","9.706","0.0014","16.701","0.002","90","","90","","90","","1480","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(6<i>R</i>,7<i>R</i>)-3-Hydroxymethyl-7-(2-phenylacetamido)-3-cephem- 4-carboxylic acid lactone","<i>N</i>-[(4<i>R</i>,5<i>R</i>)-3,11-Dioxo-10-oxa-6-thia-2- azatricyclo[6.3.0.0^2,5^]undec-1(8)-en-4-yl]-2-phenylacetamide","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C64 H56 N8 O16 S4 -","4","1","ZJ2026","Zhou, Xiao-Liang; Wang, Hao; Wang, Yan; Shi, Pei-Ji","(6<i>R</i>,7<i>R</i>)-3-Hydroxymethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic acid lactone","Acta Crystallographica Section E","2011","67","11","o3101","","10.1107/S1600536811043881","","","0.71075","MoKα","","0.0315","0.0274","","","0.0636","0.065","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232528","9.6326","0.0003","8.665","0.0002","25.7944","0.0008","90","","90","","90","","2152.97","0.11","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Chloro-<i>N</i>-(4-methoxyphenyl)propanamide","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C80 H96 Cl8 N8 O16 -","8","1","ZJ2028","Betz, Richard; Gerber, Thomas; Hosten, Eric; Siddegowda, Maravanahalli S.; Yathirajan, Hemmige S.","3-Chloro-<i>N</i>-(4-methoxyphenyl)propanamide","Acta Crystallographica Section E","2011","67","11","o2868","","10.1107/S1600536811040682","","","0.71073","MoKα","","0.0398","0.0355","","","0.0919","0.0955","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232529","8.988","0.0013","11.444","0.0015","14.8604","0.0018","70.212","0.011","88.973","0.013","67.02","0.009","1312.6","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","3-[3-Methyl-4-(4-nitrobenzylideneamino)-5-sulfanylidene-4,5-dihydro-1<i>H</i>- 1,2,4-triazol-1-yl]-1,3-diphenylpropan-1-one dichloromethane monosolvate","","- C26 H23 Cl2 N5 O3 S -","- C25.9998 H22.9996 Cl1.9996 N5 O3 S -","- C51.9996 H45.9992 Cl3.9992 N10 O6 S2 -","2","1","ZK2024","Wang, Wei; Jia, Wei-Min; Xu, Chao; Wu, Wen-Peng; Liu, Qing-Lei","3-[3-Methyl-4-(4-nitrobenzylideneamino)-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl]-1,3-diphenylpropan-1-one dichloromethane monosolvate","Acta Crystallographica Section E","2011","67","11","o3135","","10.1107/S1600536811043777","","","0.71073","MoKα","","0.0689","0.0522","","","0.1487","0.1591","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232530","12.215","0.0011","20.864","0.002","12.108","0.0012","90","","90.528","0.001","90","","3085.6","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)nickel(II) dinitrate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C21 H25 N15 Ni O7 -","- C21 H25 N15 Ni O7 -","- C84 H100 N60 Ni4 O28 -","4","1","ZK2032","Qiu, Qi-Ming; Yang, Wei; Li, Zhong-Feng; Jin, Qiong-Hua; Zhang, Cun-Lin","Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)nickel(II) dinitrate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","11","m1589","m1590","10.1107/S1600536811043030","","","0.71073","MoKα","","0.1911","0.1093","","","0.2433","0.2764","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232531","6.8537","0.0001","21.5613","0.0005","15.3472","0.0003","90","","113.857","0.001","90","","2074.15","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","paliperidone","3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9- hydroxy-2-methyl-1,6,7,8,9,9a-hexahydropyrido[1,2-<i>a</i>]pyrimidin-4-one","","- C23 H27 F N4 O3 -","- C23 H27 F N4 O3 -","- C92 H108 F4 N16 O12 -","4","1","ZL2406","Betz, Richard; Gerber, Thomas; Hosten, Eric; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Thomas, Saji","Paliperidone: 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-1,6,7,8,9,9a-hexahydropyrido[1,2-<i>a</i>]pyrimidin-4-one","Acta Crystallographica Section E","2011","67","11","o2945","o2946","10.1107/S160053681104164X","","","0.71073","MoKα","","0.0579","0.0446","","","0.1191","0.1295","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232532","12.7747","0.0003","13.2926","0.0003","15.4218","0.0004","90","","90","","90","","2618.76","0.11","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Thailandepsin A","(<i>E</i>)-(1<i>S</i>,5<i>S</i>,6<i>R</i>,9<i>S</i>,20<i>R</i>)-6-[(2<i>S</i>)- butan-2-yl]-5-hydroxy-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia- 7,19,22-triazabicyclo[7.7.6]docosa-15-ene-3,8,18,21-tetraone","","- C23 H37 N3 O6 S3 -","- C23 H37 N3 O6 S3 -","- C92 H148 N12 O24 S12 -","4","1","ZL2411","Wang, Cheng; Cheng, Yi-Qiang","Thailandepsin A","Acta Crystallographica Section E","2011","67","11","o2948","o2949","10.1107/S1600536811041390","","","1.54178","CuKα","","0.0269","0.0269","","","0.0711","0.0711","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232533","22.5742","0.0005","6.8101","0.0001","13.8475","0.0003","90","","98.405","0.001","90","","2105.95","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-fluorophenyl)prop-2-en-1-one","","- C28 H19 F3 O2 -","- C28 H19 F3 O2 -","- C112 H76 F12 O8 -","4","1","ZL2413","Betz, Richard; Gerber, Thomas; Hosten, Eric; Samshuddin, S.; Narayana, Badiadka; Sarojini, Balladka K.","(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","11","o2996","o2997","10.1107/S1600536811042279","","","0.71073","MoKα","","0.0521","0.0379","","","0.0938","0.1023","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232534","8.686","0.0017","13.532","0.003","14.871","0.003","73.18","0.03","73.53","0.03","72.37","0.03","1557.4","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)manganese(II) dimethylformamide hemisolvate","","- C13.5 H15.5 Mn N2.5 O6.5 -","- C13.5 H15.5 Mn N2.5 O6.5 -","- C54 H62 Mn4 N10 O26 -","4","2","ZL2414","Golenya, Irina A.; Boyko, Alexander N.; Kalibabchuk, Valentina A.; Haukka, Matti; Tomyn, Stefania V.","Diaquabis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)manganese(II) dimethylformamide hemisolvate","Acta Crystallographica Section E","2011","67","11","m1558","m1559","10.1107/S1600536811042218","","","0.71073","MoKα","","0.0745","0.0557","","","0.1495","0.1569","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232535","14.321","0.0005","12.759","0.0005","13.797","0.0003","90","","102.821","0.003","90","","2458.16","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-Methylpiperazine-1,4-diium tetrachloridozincate hemihydrate","","- C5 H15 Cl4 N2 O0.5 Zn -","- C5 H15 Cl4 N2 O0.5 Zn -","- C40 H120 Cl32 N16 O4 Zn8 -","8","1","ZQ2122","Walha, Sondra; Naïli, Houcine; Yahyaoui, Samia; Mhiri, Tahar","1-Methylpiperazine-1,4-diium tetrachloridozincate hemihydrate","Acta Crystallographica Section E","2011","67","11","m1605","","10.1107/S1600536811043236","","","0.71073","MoKα","","0.0844","0.0503","","","0.0691","0.0798","","","","","","1.237","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232536","7.2302","0.0004","14.4055","0.0006","14.6663","0.0006","90","","94.414","0.001","90","","1523.03","0.12","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","4-(<i>E</i>)-3-(2-Chlorophenyl)acryloyloxytrichodermin","8-{[(<i>E</i>)-3-(2-Chlorophenyl)acryloyloxy]imino}-12,13-epoxytrichethec- 9-en-4-yl (<i>E</i>)-3-(2-chlorophenyl)acrylate","","- C33 H31 Cl2 N O6 -","- C33 H31 Cl2 N O6 -","- C66 H62 Cl4 N2 O12 -","2","1","ZQ2124","Xu, Xiao-Jun; Li, Xiao-Liang; Cheng, Jing-li; Zhao, Jin-hao","8-{[(<i>E</i>)-3-(2-Chlorophenyl)acryloyloxy]imino}-12,13-epoxytrichethec-9-en-4-yl (<i>E</i>)-3-(2-chlorophenyl)acrylate","Acta Crystallographica Section E","2011","67","11","o2834","","10.1107/S1600536811039638","","","0.71073","MoKα","","0.0952","0.0396","","","0.0885","0.1298","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232537","9.06","0.003","8.894","0.002","14.26","0.004","90","","97.95","0.03","90","","1138","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)ethanamine- κ<i>N</i>]zinc(II)","","- C7 H13 Cl2 N3 Zn -","- C7 H13 Cl2 N3 Zn -","- C28 H52 Cl8 N12 Zn4 -","4","1","ZQ2129","Guzei, Ilia A.; Spencer, Lara C.; Segapelo, Tebogo V.; Darkwa, James","Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)ethanamine-κ<i>N</i>]zinc(II)","Acta Crystallographica Section E","2011","67","11","m1627","m1628","10.1107/S1600536811044217","","","1.54178","Cu-Kα","","0.0206","0.0199","","","0.051","0.0514","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232538","6.9611","0.0002","12.6093","0.0002","17.4933","0.0003","90","","90","","90","","1535.47","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Amino-4-phenyl-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒ 3-amino-1-phenyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile (5/3)","","- C20.75 H15 N3 -","- C20.75 H15 N3 -","- C83 H60 N12 -","4","1","ZS2145","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng","2-Amino-4-phenyl-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒3-amino-1-phenyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile (5/3)","Acta Crystallographica Section E","2011","67","11","o2872","","10.1107/S1600536811040505","","","1.54184","CuKα","","0.0427","0.0404","","","0.1161","0.1192","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232539","8.9347","0.0003","14.4915","0.0005","14.7818","0.0006","90","","103.446","0.004","90","","1861.45","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(3,4-dimethoxyphenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3- carbonitrile‒3-amino-1-(3,4-dimethoxyphenyl)-9,10-dihydrophenanthrene-2,4- dicarbonitrile (1/19)","","- C23.9 H19 N3 O2 -","- C23.9 H19 N3 O2 -","- C95.6 H76 N12 O8 -","4","1","ZS2146","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng","2-Amino-4-(3,4-dimethoxyphenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒3-amino-1-(3,4-dimethoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile (1/19)","Acta Crystallographica Section E","2011","67","11","o2873","","10.1107/S1600536811040517","","","0.71073","MoKα","","0.0711","0.049","","","0.1097","0.124","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2232540","19.2576","0.0007","9.5103","0.0002","20.2266","0.0007","90","","114.018","0.004","90","","3383.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-chlorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒ 3-amino-1-(4-chlorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile (1/4)","","- C21.6 H14 Cl N3 -","- C21.6 H14 Cl N3 -","- C172.8 H112 Cl8 N24 -","8","2","ZS2147","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng","2-Amino-4-(4-chlorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒3-amino-1-(4-chlorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile (1/4)","Acta Crystallographica Section E","2011","67","11","o2874","","10.1107/S1600536811040529","","","1.54184","CuKα","","0.0537","0.0512","","","0.1286","0.1302","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2232541","8.2069","0.001","9.9393","0.0016","11.142","0.0017","87.408","0.01","70.61","0.007","78.983","0.009","841.3","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","<i>rac</i>-<i>syn</i>-Diethyl 2-hydroxy-4-oxo-1-phenylcyclohexane-1,2-dicarboxylate","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","ZS2151","Wang, Ya-Jun; Ni, Sheng-Liang; Meng, Yue","<i>rac</i>-<i>syn</i>-Diethyl 2-hydroxy-4-oxo-1-phenylcyclohexane-1,2-dicarboxylate","Acta Crystallographica Section E","2011","67","11","o2977","o2978","10.1107/S1600536811042048","","","0.7107","MoKα","","0.0499","0.0421","","","0.0976","0.1031","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232542","8.6412","0.0002","10.7998","0.0002","36.1685","0.0007","90","","90","","90","","3375.36","0.12","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tuberostemoamide hemihydrate","(1'<i>S</i>,2<i>R</i>,2'<i>R</i>,3'<i>S</i>,6'<i>R</i>)-3'-ethyl-4-methyl- 5<i>H</i>-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0^2,6^]tridecane]- 5,11'-dione hemihydrate","","- C17 H24 N O4.5 -","- C17 H24 N O4.5 -","- C136 H192 N8 O36 -","8","2","ZS2152","Zhang, Rong-Rong; Ma, Zhi-Guo; Li, Guo-Qiang; But, Paul Pui-Hay; Jiang, Ren-Wang","Tuberostemoamide hemihydrate","Acta Crystallographica Section E","2011","67","11","o3056","","10.1107/S1600536811043340","","","1.54184","CuKα","","0.053","0.0497","","","0.1376","0.1421","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232543","16.295","0.005","16.295","0.005","28.946","0.005","90","","90","","90","","7686","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[tetra-<i>n</i>-butylammonium [(μ~5~-benzene-1,3,5-tricarboxylato)(μ~4~- benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trizincate] 0.25-hydrate]","","- C34 H43 N O13.25 Zn3 -","- C34 H43 N O13.25 Zn3 -","- C272 H344 N8 O106 Zn24 -","8","1","ZS2153","Zhu, Xiao-Hong; Cheng, Xiao-Chun","Poly[tetra-<i>n</i>-butylammonium [(μ~5~-benzene-1,3,5-tricarboxylato)(μ~4~-benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trizincate] 0.25-hydrate]","Acta Crystallographica Section E","2011","67","11","m1641","","10.1107/S1600536811044485","","","0.71073","MoKα","","0.0642","0.0372","","","0.0934","0.0985","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232544","8.1171","0.0004","9.5784","0.0004","10.0609","0.0005","67.236","0.002","88.513","0.002","81.336","0.002","712.61","0.06","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Dichlorido{2-[(3,4-dimethylphenyl)iminomethyl]pyridine- κ^2^<i>N</i>,<i>N</i>'}copper(II)","","- C14 H14 Cl2 Cu N2 -","- C14 H14 Cl2 Cu N2 -","- C28 H28 Cl4 Cu2 N4 -","2","1","ZS2154","Khalaj, Mehdi; Dehghanpour, Saeed; Salehzadeh, Sadegh; Mahmoudi, Ali","Dichlorido{2-[(3,4-dimethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}copper(II)","Acta Crystallographica Section E","2011","67","11","m1624","","10.1107/S160053681104390X","","","0.71073","MoKα","","0.0779","0.0469","","","0.1078","0.126","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232545","6.7608","0.0002","8.5154","0.0002","20.6503","0.0009","90","","97.237","0.002","90","","1179.39","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4,6-Dimethylpyrimidin-2-yl)-1,3-benzothiazol-2-amine","","- C13 H12 N4 S -","- C13 H12 N4 S -","- C52 H48 N16 S4 -","4","1","ZS2156","Mohamed, Shaaban K.; Horton, Peter N.; El-Remaily, Mahmoud A. A.; Abdel-Ghany, Hussam; Ng, Seik Weng","<i>N</i>-(4,6-Dimethylpyrimidin-2-yl)-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2011","67","11","o3131","","10.1107/S1600536811044631","","","0.71073","MoKα","","0.0661","0.0476","","","0.1137","0.126","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232546","3.8857","0.0005","11.0349","0.0017","22.186","0.003","90","","90","","90","","951.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1,3-Benzothiazol-2-yl)guanidinium chloride","","- C8 H9 Cl N4 S -","- C8 H9 Cl N4 S -","- C32 H36 Cl4 N16 S4 -","4","1","ZS2157","Mohamed, Shaaban K.; Horton, Peter N.; El-Remaily, Mahmoud A.A.; Ng, Seik Weng","2-(1,3-Benzothiazol-2-yl)guanidinium chloride","Acta Crystallographica Section E","2011","67","11","o3132","","10.1107/S1600536811044643","","","0.71073","MoKα","","0.0303","0.0298","","","0.076","0.0762","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232547","6.669","0.002","8.152","0.004","9.63","0.003","65.062","0.002","85.02","0.002","73.71","0.002","455.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(1,3-Benzoxazol-2-yl)guanidinium chloride","","- C8 H9 Cl N4 O -","- C8 H9 Cl N4 O -","- C16 H18 Cl2 N8 O2 -","2","1","ZS2158","Mohamed, Shaaban K.; Horton, Peter N.; El-Remaily, Mahmoud A.A.; Ng, Seik Weng","2-(1,3-Benzoxazol-2-yl)guanidinium chloride","Acta Crystallographica Section E","2011","67","11","o3133","","10.1107/S1600536811044655","","","0.71073","MoKα","","0.0408","0.0358","","","0.0852","0.0885","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232548","11.9279","0.0005","15.408","0.0012","15.9651","0.0014","83.752","0.007","68.178","0.004","76.339","0.005","2646.1","0.3","150","1","150","1","","","","","","","","7","P -1","-P 1","2","Dichloridobis{2-[(dimethylamino)methyl]phenyl}bis{2- [(dimethylazaniumyl)methyl]phenyl}di-μ-hydroxido-di-μ~3~-oxido- tetraphenyltetratin(IV) dichloride deuterochloroform decasolvate","bis{2-[2-(dimethylazaniumyl)methyl]phenyl}-2κ<i>C</i>^1^,3κ<i>C</i>^1^- bis{2-[(dimethylamino)methyl]phenyl}-1κ<i>C</i>^1^,4κ<i>C</i>^1^- dichlorido-1κ<i>Cl</i>,4κ<i>Cl</i>- di-μ-hydroxido-1:2κ^2^<i>O</i>:<i>O</i>;3:4κ^2^<i>O</i>:<i>O</i>- di-μ~3~-oxido-1:2:3κ^3^<i>O</i>:<i>O</i>:<i>O</i>;2:3:4κ^3^<i>O</i>: <i>O</i>:<i>O</i>-tetraphenyl- 1κ<i>C</i>^1^,2κ<i>C</i>^1^,3κ<i>C</i>^1^,4κ<i>C</i>^1^-tetratin(IV) dichloride deuterochloroform decasolvate","","- C70 H72 Cl34 D10 N4 O4 Sn4 -","- C70 H72 Cl34 D10 N4 O4 Sn4 -","- C70 H72 Cl34 D10 N4 O4 Sn4 -","1","0.5","AA2022","Turek, Jan; Padělková, Zdeňka","Dichloridobis{2-[(dimethylamino)methyl]phenyl}bis{2-[(dimethylazaniumyl)methyl]phenyl}di-μ-hydroxido-di-μ~3~-oxido-tetraphenyltetratin(IV) dichloride deuterochloroform decasolvate","Acta Crystallographica Section E","2011","67","12","m1890","m1891","10.1107/S1600536811048872","","","0.71073","MoKα","","0.0754","0.0537","","","0.1301","0.1458","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232549","16.704","0.003","19.86","0.003","15.343","0.003","90","","102.007","0.003","90","","4978.6","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C240 H192 N32 O32 -","16","4","AA2025","Kuai, Hai-Wei; Cheng, Xiao-Chun","Second monoclinic polymorph of 4-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section E","2011","67","12","o3208","","10.1107/S1600536811045983","","","0.71073","MoKα","","0.1652","0.0548","","","0.0769","0.0942","","","","","","0.876","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232550","23.851","0.0013","12.9688","0.0007","12.3835","0.0007","90","","114.077","0.001","90","","3497.2","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis{2,6-bis[(2-hydroxy-5-methylphenyl)iminomethyl]pyridine} monohydrate","","- C42 H40 N6 O5 -","- C42 H40 N6 O5 -","- C168 H160 N24 O20 -","4","0.5","AA2032","Kose, Muhammet; McKee, Vickie","Bis{2,6-bis[(2-hydroxy-5-methylphenyl)iminomethyl]pyridine} monohydrate","Acta Crystallographica Section E","2011","67","12","o3193","","10.1107/S1600536811045399","","","0.71073","MoKα","","0.055","0.0422","","","0.1148","0.124","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232551","13.907","0.005","12.662","0.005","21.354","0.005","90","","136.982","0.013","90","","2565.3","1.6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>cyclo</i>-Tetra-μ-oxido-tetrakis[(acetylacetonato- κ^2^<i>O</i>,<i>O</i>')bis(ethanolato-κ<i>O</i>)niobium(V)]","","- C36 H68 Nb4 O20 -","- C36 H68 Nb4 O20 -","- C72 H136 Nb8 O40 -","2","0.5","BG2426","Herbst, Leandra; Visser, Hendrik G.; Roodt, Andreas; Muller, Theunis J.","<i>cyclo</i>-Tetra-μ-oxido-tetrakis[(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis(ethanolato-κ<i>O</i>)niobium(V)]","Acta Crystallographica Section E","2011","67","12","m1669","m1670","10.1107/S1600536811044138","","","0.71073","MoKα","","0.0389","0.0309","","","","0.0796","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2232552","11.667","0.002","9.6376","0.0019","12.307","0.003","90","","101.02","0.03","90","","1358.3","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6',7'-Dimethoxy-1',2'-dihydrospiro[cyclohexane-1,2'-quinazoline]-4'(3'<i>H</i>)-one","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","BG2428","Zhang, Li-Jun; Song, Yang; Luo, Xiang-Ning; Li, Hui","6',7'-Dimethoxy-1',2'-dihydrospiro[cyclohexane-1,2'-quinazolin]-4'(3'<i>H</i>)-one","Acta Crystallographica Section E","2011","67","12","o3389","","10.1107/S1600536811048732","","","0.71073","MoKα","","0.0432","0.0363","","","0.0964","0.1","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232553","7.5101","0.0003","11.1065","0.0004","15.0228","0.0006","90","","90","","90","","1253.07","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,6<i>S</i>,2<i>R</i>)-9,13-dimethyl-5-methylene-3- oxatricyclo[8.3.0.0^2,6^]trideca-9,12-diene-4,11-dione","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","BG2432","Priestap, Horacio A.; Abboud, Khalil A.; Velandia, Alvaro E.; Lopez, Luis A.; Barbieri, Manuel A.","Dehydroleucodin: a guaiane-type sesquiterpene lactone","Acta Crystallographica Section E","2011","67","12","o3470","","10.1107/S1600536811048938","","","1.54178","CuKα","","0.0271","0.0269","","","0.0683","0.0684","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232554","15.0953","0.001","12.0379","0.0008","19.8066","0.0013","90","","109.748","0.0013","90","","3387.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bromido(pyrimidinyl-κ<i>C</i>^5^)bis(triphenylphosphane- κ<i>P</i>)palladium(II)","","- C40 H33 Br N2 P2 Pd -","- C40 H33 Br N2 P2 Pd -","- C160 H132 Br4 N8 P8 Pd4 -","4","1","BG2434","Wang, Hsiao-Fen; Zeng, Weng-Feng; Lee, Gene-Hsiang; Yih, Kuang-Hway","<i>trans</i>-Bromido(pyrimidinyl-κ<i>C</i>^5^)bis(triphenylphosphane-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2011","67","12","m1820","","10.1107/S1600536811049348","","","0.71073","MoKα","","0.0824","0.0515","","","0.1108","0.1317","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232555","12.3274","0.0013","15.7586","0.0016","10.3848","0.0011","90","","104.719","0.002","90","","1951.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-([1,1'-Biphenyl]-4-yl)-2-(1,3,3-trimethylindolin-2-ylidene)ethanone","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","BH2373","Vázquez-Vuelvas, Oscar F.; Pineda-Contreras, Armando; Morales-Morales, David; Hernández-Ortega, Simón; Tlenkopatchev, Mikhail","(<i>E</i>)-1-([1,1'-Biphenyl]-4-yl)-2-(1,3,3-trimethylindolin-2-ylidene)ethanone","Acta Crystallographica Section E","2011","67","12","o3223","","10.1107/S1600536811045168","","","0.71073","MoKα","","0.0533","0.0384","","","0.1","0.106","","","","","","0.97","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232556","16.656","0.006","5.296","0.002","29.442","0.011","90","","102.453","0.006","90","","2536","1.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dibromidobis{1-[4-(pyridin-4-yl)phenyl]ethanone-κ<i>N</i>}mercury(II)","","- C26 H22 Br2 Hg N2 O2 -","- C26 H22 Br2 Hg N2 O2 -","- C104 H88 Br8 Hg4 N8 O8 -","4","0.5","BH2387","Zhang, Wen-Shen; Liu, Zhi-Juan; Xu, Feng; Xun, Qi-Ning","Dibromidobis{1-[4-(pyridin-4-yl)phenyl]ethanone-κ<i>N</i>}mercury(II)","Acta Crystallographica Section E","2011","67","12","m1849","","10.1107/S1600536811049993","","","0.71073","MoKα","","0.1042","0.052","","","0.1141","0.1305","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232557","17.3841","0.0018","5.048","0.0008","22.808","0.002","90","","93.76","0.001","90","","1997.2","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(chloroacetato-κ^2^<i>O</i>,<i>O</i>')bis(2-fluorobenzyl- κ<i>C</i>^1^)tin(IV)","","- C18 H16 Cl2 F2 O4 Sn -","- C18 H16 Cl2 F2 O4 Sn -","- C72 H64 Cl8 F8 O16 Sn4 -","4","0.5","BH2395","Deng, Aixia; Teng, Mouyong; Xie, Qian; Yan, Nana","Bis(chloroacetato-κ^2^<i>O</i>,<i>O</i>')bis(2-fluorobenzyl-κ<i>C</i>^1^)tin(IV)","Acta Crystallographica Section E","2011","67","12","m1905","","10.1107/S1600536811051002","","","0.71073","MoKα","","0.0397","0.0329","","","0.0688","0.0712","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232558","9.4527","0.0003","10.7457","0.0003","11.5791","0.0003","115.592","0.001","93.324","0.002","105.206","0.002","1003.61","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-12-phenylsulfonyl-12<i>H</i>-naphtho[1,2-<i>b</i>]carbazole","","- C27 H19 N O2 S -","- C27 H19 N O2 S -","- C54 H38 N2 O4 S2 -","2","1","BH2396","Vasudhevan, S.; Karunakaran, R. Joel","5-Methyl-12-phenylsulfonyl-12<i>H</i>-naphtho[1,2-<i>b</i>]carbazole","Acta Crystallographica Section E","2011","67","12","o3480","","10.1107/S160053681104949X","","","0.71073","MoKα","","0.0489","0.0394","","","0.1104","0.1201","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232559","15.631","0.003","8.2487","0.0014","16","0.003","90","","105.438","0.005","90","","1988.5","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,6-Di-<i>tert</i>-butyl-2,8-dimethoxydibenzo[<i>b</i>,<i>d</i>]furan","6,10-di-<i>tert</i>-butyl-4,12-dimethoxy-8-oxatricyclo[7.4.0.0^2,7^]trideca- 1(9),2(7),3,5,10,12-hexaene","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","BQ2314","Chung, Dayeon; Otgonbaatar, Enkhzul; Son, Seok Hwan; Chung, Minchul; Kwak, Chee-Hun","4,6-Di-<i>tert</i>-butyl-2,8-dimethoxydibenzo[<i>b</i>,<i>d</i>]furan","Acta Crystallographica Section E","2011","67","12","o3356","","10.1107/S1600536811048379","","","0.71073","MoKα","","0.1364","0.0759","","","0.1858","0.2292","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232560","7.612","0.0013","13.883","0.002","13.049","0.002","90","","105.117","0.003","90","","1331.3","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6-Fluoro-2-(4-methoxyphenyl)imidazo[2,1-<i>b</i>][1,3]benzothiazole","","- C16 H11 F N2 O S -","- C16 H11 F N2 O S -","- C64 H44 F4 N8 O4 S4 -","4","2","BQ2315","Fun, Hoong-Kun; Hemamalini, Madhukar; Umesha, K.; Sarojini, B. K.; Narayana, B.","6-Fluoro-2-(4-methoxyphenyl)imidazo[2,1-<i>b</i>][1,3]benzothiazole","Acta Crystallographica Section E","2011","67","12","o3265","o3266","10.1107/S1600536811046666","","","0.71073","MoKα","","0.1186","0.0514","","","0.0943","0.1164","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232561","10.5307","0.0002","17.9659","0.0004","22.429","0.0005","90","","90","","90","","4243.42","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(4-aminophenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium] dichloride hydrate","","- C9 H13 Cl N3 O0.5 -","- C9 H13 Cl N3 O0.5 -","- C144 H208 Cl16 N48 O8 -","16","2","BQ2316","Molčanov, Krešimir; Stolić, Ivana; Kojić-Prodić, Biserka; Bajić, Miroslav","Bis[2-(4-aminophenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium] dichloride monohydrate","Acta Crystallographica Section E","2011","67","12","o3450","o3451","10.1107/S1600536811050070","","","1.54184","CuKα","","","0.045","","","","0.1164","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232562","12.131","0.0011","7.399","0.0007","25.466","0.002","90","","90","","90","","2285.8","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chloro-2-methylphenyl)maleamic acid","","- C11 H10 Cl N O3 -","- C11 H10 Cl N O3 -","- C88 H80 Cl8 N8 O24 -","8","1","BQ2317","Shakuntala, K.; Vrábel, Viktor; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(4-Chloro-2-methylphenyl)maleamic acid","Acta Crystallographica Section E","2011","67","12","o3317","","10.1107/S1600536811047817","","","0.71073","MoKα","","0.0375","0.033","","","0.0859","0.0893","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232563","24.2009","0.0011","14.1546","0.0005","15.8347","0.0007","90","","116.271","0.005","90","","4864","0.4","295.15","","295.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(2,4,5-tricarboxybenzoate) monohydrate","","- C56 H36 N6 Ni O17 -","- C56 H36 N6 Ni O17 -","- C224 H144 N24 Ni4 O68 -","4","0.5","BQ2318","Zhong, Kai-Long; Ni, Chao; Qian, Ming-Yi","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(2,4,5-tricarboxybenzoate) monohydrate","Acta Crystallographica Section E","2011","67","12","m1814","m1815","10.1107/S1600536811048914","","","0.71073","MoKα","","0.0772","0.0409","","","0.0511","0.0536","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232564","11.1699","0.0005","4.9171","0.0002","21.4778","0.0008","90","","90.339","0.003","90","","1179.62","0.08","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloro-<i>N</i>-(2-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BQ2320","Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef","3-Chloro-<i>N</i>-(2-methylphenyl)benzamide","Acta Crystallographica Section E","2011","67","12","o3381","","10.1107/S1600536811048756","","","0.71073","MoKα","","0.0414","0.0356","","","0.0926","0.0977","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232565","12.893","0.004","12.893","0.004","12.893","0.004","90","","90","","90","","2143.2","1.2","188","2","188","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylguanidinium iodide","","- C19 H36 I N3 -","- C19 H36 I N3 -","- C76 H144 I4 N12 -","4","0.333333","BQ2321","Said, Farouq F.; Ali, Basem F.; Richeson, Darrin","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylguanidinium iodide","Acta Crystallographica Section E","2011","67","12","o3467","","10.1107/S1600536811049683","","","0.71073","MoKα","","0.0594","0.0381","","","0.0689","0.0759","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232566","8.8791","0.0002","9.221","0.0002","27.1292","0.0006","90","","90","","90","","2221.18","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1521","{(<i>R</i>,<i>S</i>~Fc~,<i>S</i>~Fc~)-2''-Bromo-2-[1-(dimethylamino)ethyl- κ<i>N</i>]-1,1''-biferrocene}trihydridoboron","","- C24 H29 B Br Fe2 N -","- C24 H29 B Br Fe2 N -","- C96 H116 B4 Br4 Fe8 N4 -","4","1","BQ2322","Wang, Yaping; Zirakzadeh, Afrooz; Weissensteiner, Walter; Mereiter, Kurt","{(<i>R</i>,<i>S</i>~Fc~,<i>S</i>~Fc~)-2''-Bromo-2-[1-(dimethylamino)ethyl-κ<i>N</i>]-1,1''-biferrocene}trihydridoboron","Acta Crystallographica Section E","2011","67","12","m1806","m1807","10.1107/S1600536811049270","","","0.71073","MoKα","","0.0246","0.0231","","","0.0529","0.0535","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232567","8.18603","0.00014","10.82977","0.00014","8.19874","0.00013","90","","110.369","0.0019","90","","681.39","0.02","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4<i>R</i>,6<i>S</i>,7<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-Ethyl-7,8-dihydroxy- 4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium iodide","","- C11 H22 I N O2 -","- C11 H22 I N O2 -","- C22 H44 I2 N2 O4 -","2","1","BQ2323","Vrábel, Viktor; Sivý, Július; Švorc, Ľubomír; Šafář, Peter; Žužiová, Jozefína","(4<i>R</i>,6<i>S</i>,7<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-Ethyl-7,8-dihydroxy-4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium iodide","Acta Crystallographica Section E","2011","67","12","o3520","o3521","10.1107/S1600536811051099","","","0.71073","MoKα","","0.0203","0.0188","","","0.0488","0.0494","","","","","","0.913","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232568","11.486","0.002","6.6615","0.0014","5.2406","0.0011","90","","90","","90","","400.98","0.14","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","sodium calcium arsenate","","- As Ca Na O4 -","- As Ca Na O4 -","- As4 Ca4 Na4 O16 -","4","0.5","BR2179","Lin, Jinru; Sun, Wei; Mi, Jin-Xiao; Pan, Yuanming","A sodium calcium arsenate, NaCa(AsO~4~)","Acta Crystallographica Section E","2011","67","12","i69","","10.1107/S160053681104428X","","","0.71073","MoKα","","0.0212","0.0209","","","0.067","0.0674","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232569","10.2304","0.0003","15.1418","0.0006","7.8615","0.0003","90","","98.068","0.002","90","","1205.75","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Diaquabis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)cobalt(II)","Diaquabis(dimethyl sulfoxide-κ<i>O</i>)bis(1,1,3-trioxo-2,3- dihydro-1λ^6^,2-benzothiazol-2-ido-κ<i>N</i>)cobalt(II)","","- C18 H24 Co N2 O10 S4 -","- C18 H24 Co N2 O10 S4 -","- C36 H48 Co2 N4 O20 S8 -","2","0.5","BR2180","Potwana, Fezile S. W.; Van Zyl, Werner E.","Diaquabis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2011","67","12","m1667","m1668","10.1107/S1600536811045296","","","0.71073","MoKα","","0.0475","0.0304","","","0.0756","0.0814","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232570","8.334","0.003","10.649","0.003","16.763","0.005","90","","107.632","0.004","90","","1417.8","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetra-μ~2~-acetato-tetraaquadi-μ~3~-oxido-octaoxidotetrauranium(VI) methanol disolvate tetrahydrate","","- C10 H28 O24 U4 -","- C10 H28 O24 U4 -","- C20 H56 O48 U8 -","2","0.5","BR2182","Sleem, Hisham; Georghiou, Paris; Dawe, Louise N.","Tetra-μ~2~-acetato-tetraaquadi-μ~3~-oxido-octaoxidotetrauranium(VI) methanol disolvate tetrahydrate","Acta Crystallographica Section E","2011","67","12","m1880","m1881","10.1107/S1600536811050549","","","0.71075","MoKα","","0.0355","0.0339","","","0.0869","0.0884","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232571","21.322","0.002","10.9876","0.0011","16.3844","0.0016","90","","121.02","0.002","90","","3289.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[3-dimethylamino-1-(pyridin-2-yl)prop-2-en-1-one- κ^2^<i>N</i>^1^,<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>)gadolinium(III) ethanol disolvate","","- C24 H36 Gd N7 O13 -","- C24 H36 Gd N7 O13 -","- C96 H144 Gd4 N28 O52 -","4","0.5","BR2183","Liu, Xia; Hu, Dahua","Bis[3-dimethylamino-1-(pyridin-2-yl)prop-2-en-1-one-κ^2^<i>N</i>^1^,<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>)gadolinium(III) ethanol disolvate","Acta Crystallographica Section E","2011","67","12","m1876","","10.1107/S1600536811050458","","","0.71073","MoKα","","0.0607","0.0489","","","0.083","0.087","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232572","12.7273","0.0012","13.7474","0.0013","16.533","0.003","101.808","0.002","101.339","0.002","109.743","0.002","2551.8","0.6","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","weixrs01","[2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>'] chlorido(4-methylphenylsulfonyl-κ<i>S</i>)palladium(II) dichloromethane trisolvate monohydrate","","- C54 H47 Cl7 O3 P2 Pd S -","- C54 H47 Cl7 O3 P2 Pd S -","- C108 H94 Cl14 O6 P4 Pd2 S2 -","2","1","BR2184","Shrestha, Ruja; Brennessel, William W.; Weix, Daniel J.","[2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']chlorido(4-methylphenylsulfonyl-κ<i>S</i>)palladium(II) dichloromethane trisolvate monohydrate","Acta Crystallographica Section E","2011","67","12","m1830","","10.1107/S1600536811049889","","","0.71073","MoKα","","0.0825","0.0505","","","0.1138","0.1277","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232573","7.5731","0.0003","7.6865","0.0003","22.2867","0.0008","90","","97.437","0.002","90","","1286.41","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(6-Chloro-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-ylidene)propanedinitrile","","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","- C60 H40 Cl4 N12 -","4","1","BT5656","Sekar, M.; Velmurugan, R.; Vijayasankar, A. V.; Ramesh, P.; Ponnuswamy, M. N.","2-(6-Chloro-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-ylidene)propanedinitrile","Acta Crystallographica Section E","2011","67","12","o3268","","10.1107/S1600536811046575","","","0.71073","MoKα","","0.0852","0.0534","","","0.1426","0.1644","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232574","17.3682","0.0007","14.9974","0.0008","6.6861","0.0003","90","","92.226","0.002","90","","1740.27","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromo-2-(3-phenylallylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","","- C21 H16 Br N O -","- C21 H16 Br N O -","- C84 H64 Br4 N4 O4 -","4","1","BT5677","Velmurugan, R.; Sekar, M.; Vijayasankar, A. V.; Ramesh, P.; Ponnuswamy, M. N.","6-Bromo-2-(3-phenylallylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","Acta Crystallographica Section E","2011","67","12","o3269","","10.1107/S1600536811046563","","","0.71073","MoKα","","0.1106","0.0441","","","0.1076","0.1365","","","","","","0.974","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232575","5.3651","0.0011","18.631","0.004","8.5428","0.0017","90","","94.48","0.03","90","","851.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dimethylanilinium chloride","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","BT5679","Hossein Zadeh, Soudeh; Talei Bavil Olyai, Mohamad Reza; Biglari Mazlaghani, Hossein; Notash, Behrouz","A second monoclinic polymorph of 2,4-dimethylanilinium chloride","Acta Crystallographica Section E","2011","67","12","o3190","","10.1107/S160053681104551X","","","0.71073","MoKα","","0.0566","0.0422","","","0.0988","0.1044","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232576","7.6396","0.0009","8.4381","0.0008","10.8967","0.0013","88.395","0.006","71.392","0.007","71.217","0.006","628.08","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","2-(6-Methyl-1,2,3,4-Tetrahydro-9H-carbazol-1-ylidene)propanedinitrile","2-(6-Methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-ylidene)propanedinitrile","","- C16 H13 N3 -","- C16 H13 N3 -","- C32 H26 N6 -","2","1","BT5683","Sekar, M.; Velmurugan, R.; Chandramohan, A.; Ramesh, P.; Ponnuswamy, M. N.","2-(6-Methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-ylidene)propanedinitrile","Acta Crystallographica Section E","2011","67","12","o3270","","10.1107/S160053681104654X","","","0.71073","MoKα","","0.0654","0.0501","","","0.1404","0.1541","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232577","13.8655","0.0005","6.3081","0.0003","17.4583","0.0007","90","","103.666","0.002","90","","1483.76","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-Bromo-2-[(<i>E</i>)-thiophen-2-ylmethylidene]-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","","- C17 H12 Br N O S -","- C17 H12 Br N O S -","- C68 H48 Br4 N4 O4 S4 -","4","1","BT5684","Velmurugan, R.; Sekar, M.; Vijayasankar, A. V.; Ramesh, P.; Ponnuswamy, M. N.","6-Bromo-2-[(<i>E</i>)-thiophen-2-ylmethylidene]-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","Acta Crystallographica Section E","2011","67","12","o3271","","10.1107/S1600536811046551","","","0.71073","MoKα","","0.1499","0.0469","","","0.1081","0.1481","","","","","","0.85","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232578","7.8087","0.0005","9.4353","0.0006","12.8788","0.0011","76.82","0.003","77.381","0.003","83.413","0.003","899.46","0.11","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","Bis[methyl 3-(propylamino)but-2-enoato]zinc","","- C16 H28 N2 O4 Zn -","- C16 H28 N2 O4 Zn -","- C32 H56 N4 O8 Zn2 -","2","1","BT5685","Onakoya, Olamide O.; Johnson, Keneshia O.; Butcher, Raymond J.; Matthews, Jason S.","Bis[methyl 3-(propylamino)but-2-enoato]zinc","Acta Crystallographica Section E","2011","67","12","m1692","","10.1107/S160053681104520X","","","0.71073","MoKα","","0.0312","0.0268","","","0.0673","0.0702","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232579","7.208","0.001","9.164","0.002","11.368","0.002","78.506","0.001","75.478","0.005","86.774","0.005","712.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Phenylimidazolium hemi(benzene-1,4-dicarboxylate) trihydrate","","- C26 H34 N4 O10 -","- C26 H34 N4 O10 -","- C26 H34 N4 O10 -","1","0.5","BT5686","Li, Heng-Da","2-Phenylimidazolium hemi(benzene-1,4-dicarboxylate) trihydrate","Acta Crystallographica Section E","2011","67","12","o3156","","10.1107/S1600536811044953","","","0.71073","MoKα","","0.1067","0.0513","","","0.0958","0.1198","","","","","","0.986","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2232580","9.9727","0.0019","12.174","0.002","18.558","0.003","90","","90","","90","","2253.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-bromotertiarybutylsalicylidene-2-aminopyridine","3-Bromo-5-<i>tert</i>-butyl-2-hydroxybenzaldehyde","","- C11 H13 Br O2 -","- C11 H13 Br O2 -","- C88 H104 Br8 O16 -","8","1","BT5688","Balasubramani, V.; Vinuchakkaravarthy, T.; Gopi, Sreeraj; Narasimhan, S.; Velmurugan, D.","3-Bromo-5-<i>tert</i>-butyl-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2011","67","12","o3375","","10.1107/S1600536811048847","","","0.71073","MoKα","","0.1268","0.056","","","0.1311","0.1623","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232581","8.2798","0.0002","22.1975","0.0005","9.2537","0.0002","90","","99.857","0.002","90","","1675.64","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenylacrylate","(<i>E</i>)-Methyl 2-[(4-bromo-2-formylphenoxy)methyl]-3-phenylacrylate","","- C18 H15 Br O4 -","- C18 H15 Br O4 -","- C72 H60 Br4 O16 -","4","1","BT5689","Anuradha, T.; Sivakumar, G.; Seshadri, P. R.; Bakthadoss, M.","(<i>E</i>)-Methyl 2-[(4-bromo-2-formylphenoxy)methyl]-3-phenylacrylate","Acta Crystallographica Section E","2011","67","12","o3322","","10.1107/S1600536811047520","","","0.71073","MoKα","","0.0814","0.0419","","","0.102","0.1157","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232582","15.9048","0.0006","9.0323","0.0004","9.6774","0.0003","90","","93.619","0.003","90","","1387.45","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3,5-Dimethylphenyl)-4-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","BT5690","Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(3,5-Dimethylphenyl)-4-methylbenzamide","Acta Crystallographica Section E","2011","67","12","o3147","","10.1107/S1600536811044904","","","0.71073","MoKα","","0.0917","0.0448","","","0.1273","0.1428","","","","","","0.953","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232583","5.3934","0.0003","7.7679","0.0005","13.7831","0.0008","105.887","0.005","100.849","0.004","90.023","0.004","544.64","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-<i>N</i>-phenylbenzamide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C26 H20 Cl2 N2 O2 -","2","1","BT5692","Rodrigues, Vinola Z.; Kucková, Lenka; Gowda, B. Thimme; Kožíšek, Jozef","4-Chloro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2011","67","12","o3171","","10.1107/S1600536811045107","","","0.71073","MoKα","","0.0465","0.0401","","","0.1106","0.1154","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232584","6.7546","0.0006","20.9647","0.0018","13.3508","0.0013","90","","99.772","0.001","90","","1863.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(<i>E</i>)-2,4-dihydroxyacetophenone 2,4-dinitrophenylhydrazone <i>N</i>,<i>N</i>-dimethylformamide monosolvate","4-{(1<i>E</i>)-1-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C17 H19 N5 O7 -","- C17 H19 N5 O7 -","- C68 H76 N20 O28 -","4","1","BT5693","Han, Hongfei; Liu, Yaohua","A monoclinic polymorph with <i>Z</i> = 4 of (<i>E</i>)-2,4-dihydroxyacetophenone 2,4-dinitrophenylhydrazone <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2011","67","12","o3434","","10.1107/S1600536811050161","","","0.71073","MoKα","","0.1073","0.0522","","","0.1188","0.1418","","","","","","0.88","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232585","15.9987","0.0013","8.56","0.002","22.951","0.003","90","","90","","90","","3143.1","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,7-Bis(2,6-diisopropylphenyl)benzo[<i>lmn</i>][3,8]phenanthroline- 1,3,6,8(2<i>H</i>,7<i>H</i>)-tetraone","","- C38 H38 N2 O4 -","- C38 H38 N2 O4 -","- C152 H152 N8 O16 -","4","1","BT5694","Wu, Xiang-Xiang; Zhang, Shu-Ling; Ng, Seik Weng","2,7-Bis(2,6-diisopropylphenyl)benzo[<i>lmn</i>][3,8]phenanthroline-1,3,6,8(2<i>H</i>,7<i>H</i>)-tetraone","Acta Crystallographica Section E","2011","67","12","o3173","","10.1107/S1600536811045065","","","0.71073","MoKα","","0.0631","0.0579","","","0.1399","0.1438","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232586","17.2168","0.0008","15.0298","0.0007","6.1283","0.0003","90","","110.819","0.003","90","","1482.25","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(3-methylanilinium) sulfate","","- C14 H20 N2 O4 S -","- C14 H20 N2 O4 S -","- C56 H80 N8 O16 S4 -","4","0.5","BT5698","Rademeyer, M.","Bis(3-methylanilinium) sulfate","Acta Crystallographica Section E","2011","67","12","o3172","","10.1107/S1600536811045624","","","0.71073","MoKα","","0.062","0.0377","","","0.1109","0.1348","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232587","5.7253","0.0005","7.516","0.0006","15.7642","0.0013","95.166","0.006","96.148","0.007","92.353","0.007","670.83","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4-Chloroanilinium 4-methylbenzenesulfonate","","- C13 H14 Cl N O3 S -","- C13 H14 Cl N O3 S -","- C26 H28 Cl2 N2 O6 S2 -","2","1","BT5699","Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Yathirajan, H. S.; Narayana, B.","4-Chloroanilinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","12","o3288","o3289","10.1107/S160053681104712X","","","0.71073","MoKα","","0.0353","0.0321","","","0.0864","0.0882","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232588","10.1459","0.0007","9.9506","0.0007","18.372","0.0013","90","","95.097","0.003","90","","1847.5","0.2","296","2","296","2","101","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[7-Ethoxy-2-(prop-2-en-1-yl)-2<i>H</i>-indazol-6-yl]-4- methylbenzenesulfonamide","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C76 H84 N12 O12 S4 -","4","1","BT5700","Abbassi, Najat; Rakib, El Mostapha; Hannioui, Abdellah; Zouihri, Hafid","<i>N</i>-[7-Ethoxy-2-(prop-2-en-1-yl)-2<i>H</i>-indazol-6-yl]-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","12","o3211","","10.1107/S1600536811045855","","","0.71073","MoKα","","0.0391","0.0358","","","0.0979","0.1001","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232589","24.105","0.004","5.9547","0.001","23.17","0.004","90","","103.638","0.003","90","","3232","0.9","150","","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Amino-5-(4-methylbenzoyl)-4-(4-methylphenyl)pyrimidin-2(1<i>H</i>)-one","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C152 H136 N24 O16 -","8","1","BT5701","Öztürk Yíldírím, Sema; Özpozan, Nilgün; Butcher, Ray J.","1-Amino-5-(4-methylbenzoyl)-4-(4-methylphenyl)pyrimidin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","12","o3309","","10.1107/S1600536811047301","","","0.71073","MoKα","","0.1166","0.0514","","","0.1091","0.1355","","","","","","0.958","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232590","9.0559","0.0003","25.8904","0.001","9.3844","0.0003","90","","103.423","0.002","90","","2140.17","0.13","296","2","296","2","101","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Formylphenyl)-4-methoxy-<i>N</i>-(4- methoxyphenylsulfonyl)benzenesulfonamide","","- C21 H19 N O7 S2 -","- C21 H19 N O7 S2 -","- C84 H76 N4 O28 S8 -","4","1","BT5702","Abbassi, Najat; Rakib, El Mostapha; Hannioui, Abdellah; Zouihri, Hafid","<i>N</i>-(2-Formylphenyl)-4-methoxy-<i>N</i>-(4-methoxyphenylsulfonyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","12","o3304","","10.1107/S1600536811047192","","","0.71073","MoKα","","0.0883","0.0467","","","0.1154","0.1391","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232591","6.1136","0.0002","9.094","0.0004","18.6839","0.0008","90","","91.459","0.003","90","","1038.43","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Chloro-2-(phenyldiazenyl)pyridine","","- C11 H8 Cl N3 -","- C11 H8 Cl N3 -","- C44 H32 Cl4 N12 -","4","1","BT5703","Thies, Steffen; Näther, Christian; Herges, Rainer","5-Chloro-2-(phenyldiazenyl)pyridine","Acta Crystallographica Section E","2011","67","12","o3298","","10.1107/S1600536811047556","","","0.71073","MoKα","","0.0509","0.0436","","","0.1132","0.1174","","","","","","1.145","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232592","6.9138","0.0001","8.3364","0.0002","11.2358","0.0002","81.448","0.001","73.831","0.001","82.486","0.001","612.33","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,3-Diaminopyridinium 6-carboxypyridine-2-carboxylate","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C24 H24 N8 O8 -","2","1","BT5705","Foroughian, Mahsa; Foroumadi, Alireza; Notash, Behrouz; Bruno, Giuseppe; Amiri Rudbari, Hadi; Aghabozorg, Hossein","2,3-Diaminopyridinium 6-carboxypyridine-2-carboxylate","Acta Crystallographica Section E","2011","67","12","o3325","","10.1107/S1600536811047647","","","0.71073","MoKα","","0.0389","0.0347","","","0.1013","0.1067","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232593","22.2591","0.0005","7.7624","0.0002","11.4312","0.0002","90","","97.454","0.001","90","","1958.44","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Biphenyl-4-yl)[2-(4-methylbenzoyl)phenyl]methanone","","- C27 H20 O2 -","- C27 H20 O2 -","- C108 H80 O8 -","4","1","BT5706","Silambarasan, V.; Srinivasan, T.; Sivasakthikumaran, S.; Mohanakrishnan, A. K.; Velmurugan, D.","(Biphenyl-4-yl)[2-(4-methylbenzoyl)phenyl]methanone","Acta Crystallographica Section E","2011","67","12","o3276","","10.1107/S1600536811047131","","","0.71073","MoKα","","0.0638","0.0472","","","0.1324","0.1471","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232594","7.8598","0.0016","8.9291","0.0018","13.672","0.003","90","","96.39","0.03","90","","953.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Bis(1,3-thiazol-2-yl)methylenediamine","","- C7 H8 N4 S2 -","- C7 H8 N4 S2 -","- C28 H32 N16 S8 -","4","1","BT5707","Salimi, Farshid; Sahebalzamani, Hajar; Maleki, Masume; Notash, Behrouz","<i>N</i>,<i>N</i>'-Bis(1,3-thiazol-2-yl)methylenediamine","Acta Crystallographica Section E","2011","67","12","o3320","","10.1107/S1600536811047659","","","0.71073","MoKα","","0.1088","0.0593","","","0.1376","0.1615","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232595","10.9266","0.0005","8.5717","0.0003","16.8073","0.0007","90","","97.873","0.004","90","","1559.33","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato- κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc","","- C12 H14 N4 O7 Zn -","- C12 H14 N4 O7 Zn -","- C48 H56 N16 O28 Zn4 -","4","1","BT5709","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc","Acta Crystallographica Section E","2011","67","12","m1866","m1867","10.1107/S1600536811050227","","","0.71073","MoKα","","0.0475","0.0371","","","","0.0843","","","","","","1.084","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232596","6.109","0.0007","8.9537","0.0011","31.292","0.004","83.141","0.001","88.896","0.001","75.184","0.001","1642.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6-Benzyl-3-[(6-chloropyridin-3-yl)methyl]-6,7-dihydro-3<i>H</i>- 1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7-imine","","- C17 H14 Cl N7 -","- C17 H14 Cl N7 -","- C68 H56 Cl4 N28 -","4","2","BT5710","Pan, Dong-Feng; Chen, Xiao-Bao; Gao, Hai-Tao; Feng, Chun; Chen, Ping","6-Benzyl-3-[(6-chloropyridin-3-yl)methyl]-6,7-dihydro-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7-imine","Acta Crystallographica Section E","2011","67","12","o3326","","10.1107/S1600536811047568","","","0.71073","MoKα","","0.0654","0.0474","","","0.111","0.1225","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232597","11.8061","0.0009","14.3419","0.0007","10.7891","0.0008","90","","118.478","0.003","90","","1605.78","0.19","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Diethylamino-3,5-diisopropylbenzaldehyde","","- C17 H27 N O -","- C17 H27 N O -","- C68 H108 N4 O4 -","4","0.5","BT5711","Wink, Christoph; Schollmeyer, Dieter; Detert, Heiner","4-Diethylamino-3,5-diisopropylbenzaldehyde","Acta Crystallographica Section E","2011","67","12","o3336","","10.1107/S1600536811047672","","","1.54178","CuKα","","0.0747","0.0566","","","0.1638","0.1858","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232598","9.4032","0.0003","10.0963","0.0002","25.9904","0.0007","90","","90","","90","","2467.46","0.11","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-Chloro-<i>N</i>-(3-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","1","BT5712","Rodrigues, Vinola Z.; Kucková, Lenka; Gowda, B. Thimme; Kožíšek, Jozef","3-Chloro-<i>N</i>-(3-methylphenyl)benzamide","Acta Crystallographica Section E","2011","67","12","o3277","","10.1107/S1600536811047271","","","0.71073","MoKα","","0.1418","0.0627","","","0.1551","0.1907","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232599","7.7946","0.0006","8.932","0.0006","19.691","0.0013","90","","96.635","0.006","90","","1361.73","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Azaniumylethyl)piperazine-1,4-diium trinitrate","","- C6 H18 N6 O9 -","- C6 H18 N6 O9 -","- C24 H72 N24 O36 -","4","1","BT5713","Rademeyer, M.","1-(2-Azaniumylethyl)piperazine-1,4-diium trinitrate","Acta Crystallographica Section E","2011","67","12","o3301","","10.1107/S1600536811047507","","","0.71073","MoKα","","0.0726","0.042","","","0.1194","0.1289","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232600","7.6018","0.0006","15.0917","0.0012","14.2776","0.0012","90","","98.903","0.001","90","","1618.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1λ^5^,4λ^5^-Diazatetracyclo[6.6.2.0^4,16^.0^11,15^hexadeca- 1(15),4(16),5,7,9,11,13-heptaene-1,4-bis(ylium) tri-iodidocuprate(I)","4,5-Dihydro-3a,5a-diazoniapyrene triiodidocuprate(I)","","- C14 H12 Cu I3 N2 -","- C14 H12 Cu I3 N2 -","- C56 H48 Cu4 I12 N8 -","4","1","BT5714","Wu, Di; Hao, Peng-Chao; Niu, Yun-Yin; Ng, Seik Weng; Tiekink, Edward R. T.","4,5-Dihydro-3a,5a-diazoniapyrene triiodidocuprate(I)","Acta Crystallographica Section E","2011","67","12","m1839","","10.1107/S1600536811050136","","","0.71073","MoKα","","0.0402","0.0282","","","0.0596","0.0645","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232601","7.5542","0.0013","8.7861","0.0015","10.3389","0.0017","101.28","0.002","109.236","0.002","108.869","0.002","576.96","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[copper(II)-bis[μ-bis(pyridin-3-yl)methanone- κ^2^<i>N</i>:<i>N</i>']] bis(tetrafluoridoborate)]","","- C22 H16 B2 Cu F8 N4 O2 -","- C22 H16 B2 Cu F8 N4 O2 -","- C22 H16 B2 Cu F8 N4 O2 -","1","0.5","BT5715","Liu, Bin","<i>catena</i>-Poly[[copper(II)-bis[μ-bis(pyridin-3-yl)methanone-κ^2^<i>N</i>:<i>N</i>']] bis(tetrafluoridoborate)]","Acta Crystallographica Section E","2011","67","12","m1888","m1889","10.1107/S1600536811050628","","","0.71073","MoKα","","0.0534","0.0492","","","0.1289","0.1345","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232602","3.8564","0.0005","27.178","0.003","10.4681","0.0009","90","","99.966","0.009","90","","1080.6","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-2-Cyano-3-(2,3-dimethoxyphenyl)acrylic acid","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","2","BT5719","Khalaji, Aliakbar Dehno; Fejfarová, Karla; Dušek, Michal","(<i>E</i>)-2-Cyano-3-(2,3-dimethoxyphenyl)acrylic acid","Acta Crystallographica Section E","2011","67","12","o3508","o3509","10.1107/S1600536811051129","","","1.5418","CuKα","","0.0565","0.0487","","","0.124","0.1291","","","","","","1.73","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232603","11.913","0.002","8.0783","0.0016","19.997","0.004","90","","95.66","0.03","90","","1915.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{μ-4-chloro-<i>N</i>'-[(<i>E</i>)-1-(5-chloro-2- oxidophenyl)ethylidene]benzohydrazidato}bis[pyridinecopper(II)]","","- C40 H30 Cl4 Cu2 N6 O4 -","- C40 H30 Cl4 Cu2 N6 O4 -","- C80 H60 Cl8 Cu4 N12 O8 -","2","0.5","BT5720","Chang, Jian-Guo","Bis{μ-4-chloro-<i>N</i>'-[(<i>E</i>)-1-(5-chloro-2-oxidophenyl)ethylidene]benzohydrazidato}bis[pyridinecopper(II)]","Acta Crystallographica Section E","2011","67","12","m1886","","10.1107/S1600536811050720","","","0.71073","MoKα","","0.0314","0.026","","","0.0618","0.0644","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232604","9.7475","0.0005","21.7053","0.0012","11.2643","0.0006","90","","109.987","0.002","90","","2239.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4- methylbenzenesulfonamido]methyl}-3-phenylprop-2-enoate","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C100 H92 N4 O20 S4 -","4","1","BT5721","Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-phenylprop-2-enoate","Acta Crystallographica Section E","2011","67","12","o3511","","10.1107/S1600536811050756","","","0.71073","MoKα","","0.0823","0.0482","","","0.1273","0.1529","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232605","11.1019","0.0005","11.174","0.0004","17.8156","0.0007","90","","100.986","0.002","90","","2169.57","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1',6-Dimethyl-4'-phenyldispiro[1-benzopyran-3(4<i>H</i>),3'- pyrrolidine-2',3''-indoline]-2,2''-dione","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","BT5722","Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","1',6-Dimethyl-4'-phenyldispiro[1-benzopyran-3(4<i>H</i>),3'-pyrrolidine-2',3''-indoline]-2,2''-dione","Acta Crystallographica Section E","2011","67","12","o3516","o3517","10.1107/S1600536811050768","","","0.71073","MoKα","","0.0742","0.0426","","","0.1012","0.116","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232606","13.7981","0.0004","13.1429","0.0004","14.9447","0.0004","90","","91.693","0.002","90","","2708.99","0.14","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,2,3,4-Tetrahydroisoquinoline-2-carbodithioato- κ^2^<i>S</i>,<i>S</i>')(thiocyanato-κ<i>N</i>)(triphenylphosphane)nickel(II)","","- C29 H25 N2 Ni P S3 -","- C29 H25 N2 Ni P S3 -","- C116 H100 N8 Ni4 P4 S12 -","4","1","BT5724","Valarmathi, P.; Thirumaran, S.; Selvanayagam, S.","(1,2,3,4-Tetrahydroisoquinoline-2-carbodithioato-κ^2^<i>S</i>,<i>S</i>')(thiocyanato-κ<i>N</i>)(triphenylphosphane)nickel(II)","Acta Crystallographica Section E","2011","67","12","m1882","","10.1107/S1600536811050550","","","0.71073","MoKα","","0.0683","0.0423","","","0.1093","0.1233","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232607","5.8092","0.0004","4.9253","0.0002","23.1887","0.0012","90","","94.229","0.005","90","","661.67","0.06","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>-(2,3-Dimethylphenyl)-2-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","BT5725","Rodrigues, Vinola Z.; Gowda, B. Thimme; Sivý, Július; Vrábel, Viktor; Kožíšek, Jozef","<i>N</i>-(2,3-Dimethylphenyl)-2-methylbenzamide","Acta Crystallographica Section E","2011","67","12","o3496","","10.1107/S1600536811050732","","","0.71073","MoKα","","0.0735","0.0675","","","0.2037","0.2078","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232608","18.043","0.002","12.046","0.001","15.596","0.002","90","","118.77","0.02","90","","2971.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(3-Chlorobenzoyl)-2-methylbenzenesulfonamide","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C112 H96 Cl8 N8 O24 S8 -","8","1","BT5728","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorobenzoyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","12","o3489","","10.1107/S1600536811050574","","","0.71073","MoKα","","0.0533","0.0424","","","0.1059","0.1134","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232609","11.546","0.001","5.0302","0.0005","23.387","0.002","90","","93.69","0.01","90","","1355.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzoyl-3-nitrobenzenesulfonamide","","- C13 H10 N2 O5 S -","- C13 H10 N2 O5 S -","- C52 H40 N8 O20 S4 -","4","1","BT5732","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-Benzoyl-3-nitrobenzenesulfonamide","Acta Crystallographica Section E","2011","67","12","o3515","","10.1107/S1600536811051142","","","0.71073","MoKα","","0.0545","0.0401","","","0.0866","0.0929","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232610","17.1903","0.0007","10.3925","0.0005","13.3613","0.0005","90","","110.272","0.002","90","","2239.14","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-Diethylanilinium 2,4-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,4-tetrahydropyrimidin-6-olate","","- C20 H20 N6 O9 -","- C20 H20 N6 O9 -","- C80 H80 N24 O36 -","4","1","BV2193","Buvaneswari, Manickam; Kalaivani, Doraisamyraja","<i>N</i>,<i>N</i>-Diethylanilinium 2,4-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,4-tetrahydropyrimidin-6-olate","Acta Crystallographica Section E","2011","67","12","o3452","","10.1107/S1600536811049506","","","0.71073","MoKα","","0.0533","0.0382","","","0.0948","0.1053","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232611","11.6745","0.0009","16.0848","0.0014","5.9301","0.0004","90","","90","","90","","1113.57","0.15","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidin-1-yl oxide","","- C9 H14 Br2 N O2 -","- C9 H14 Br2 N O2 -","- C36 H56 Br8 N4 O8 -","4","0.5","BX2376","Zhu, Guang-Zhou; Xu, Suo-Ping; Li, Cui-Yun","3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidin-1-yl oxide","Acta Crystallographica Section E","2011","67","12","o3262","","10.1107/S1600536811046812","","","0.71073","MoKα","","0.0519","0.0335","","","0.0795","0.0886","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232612","11.6652","0.0007","8.3921","0.0005","12.8966","0.0007","90","","106.634","0.002","90","","1209.69","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-bis(pyridin-2-yl)methanediamine","","- C13 H16 N4 -","- C13 H16 N4 -","- C52 H64 N16 -","4","1","BX2378","Lee, Moon-Sun; Yoon, Minyoung; Yang, O-bong; Lee, Dong-Heon; Park, Gyungse","<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-bis(pyridin-2-yl)methanediamine","Acta Crystallographica Section E","2011","67","12","o3226","","10.1107/S1600536811046320","","","0.71073","MoKα","","0.0467","0.0378","","","0.1156","0.125","","","","","","0.963","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232613","10.4274","0.0003","8.1487","0.0003","13.2342","0.0004","90","","126.937","0.002","90","","898.81","0.06","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene-3-carbonitrile","","- C9 H10 N2 S -","- C9 H10 N2 S -","- C36 H40 N8 S4 -","4","1","BX2379","Silva, Willams L.; do Lima, Maria; Galdino, Suely L.; Pitta, Ivan R.; De Simone, Carlos A.","2-Amino-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene-3-carbonitrile","Acta Crystallographica Section E","2011","67","12","o3161","","10.1107/S1600536811045338","","","0.71073","MoKα","","0.0579","0.0454","","","0.1246","0.137","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232614","11.389","0.002","15.714","0.003","11.766","0.002","90","","98.925","0.003","90","","2080.2","0.6","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,11α-Dihydroxy-12-ursen-3-yl palmitate","","- C46 H80 O3 -","- C46 H80 O3 -","- C92 H160 O6 -","2","1","BX2380","Yuan, Yong-Liang; Bai, Su-Ping; Liang, Hui-Juan; Ye, Dan-Dan","3β,11α-Dihydroxy-12-ursen-3-yl palmitate","Acta Crystallographica Section E","2011","67","12","o3355","","10.1107/S1600536811047106","","","0.71073","MoKα","","0.0468","0.0429","","","0.0962","0.0979","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232615","7.479","0.0015","10.008","0.002","10.158","0.002","71.16","0.03","83.3","0.03","84.62","0.03","713.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Ethoxycarbonyl-<i>N</i>,<i>N</i>,<i>N</i>-trimethylanilinium iodide","","- C12 H18 I N O2 -","- C12 H18 I N O2 -","- C24 H36 I2 N2 O4 -","2","1","BX2381","Tang, Xiao-Yan","4-Ethoxycarbonyl-<i>N</i>,<i>N</i>,<i>N</i>-trimethylanilinium iodide","Acta Crystallographica Section E","2011","67","12","o3454","","10.1107/S1600536811049361","","","0.71073","MoKα","","0.0602","0.0439","","","0.0766","0.0816","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232616","8.398","0.0009","10.2559","0.0011","12.1121","0.0013","114.199","0.002","93.462","0.001","103.972","0.001","908.29","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Chlorido[1-(pyridin-2-yl)ethanone oximato-κ^2^<i>N</i>,<i>N</i>'][1-(2-pyridyl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>']copper(II) trihydrate","","- C14 H21 Cl Cu N4 O5 -","- C14 H21 Cl Cu N4 O5 -","- C28 H42 Cl2 Cu2 N8 O10 -","2","1","BX2382","Qiu, Xiumin; Li, Leilei; Li, Dacheng","Chlorido[1-(pyridin-2-yl)ethanone oximato-κ^2^<i>N</i>,<i>N</i>'][1-(2-pyridyl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>']copper(II) trihydrate","Acta Crystallographica Section E","2011","67","12","m1810","m1811","10.1107/S1600536811049129","","","0.71073","MoKα","","0.0522","0.0351","","","0.0833","0.0961","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232617","6.9367","0.0003","13.9983","0.0003","11.1446","0.0005","90","","106.043","0.002","90","","1040.02","0.07","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[<i>cis</i>-aquadibromidocobalt(II)]-μ- (pyrazine-2-carboxylic acid)-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] monohydrate]","","- C5 H8 Br2 Co N2 O4 -","- C5 H8 Br2 Co N2 O4 -","- C20 H32 Br8 Co4 N8 O16 -","4","1","BX2383","Dares, Christopher; Fournier, Rene; Lever, A. B. P.","<i>catena</i>-Poly[[[<i>cis</i>-aquadibromidocobalt(II)]-μ-(pyrazine-2-carboxylic acid)-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1798","m1799","10.1107/S1600536811048628","","","0.71073","MoKα","","0.0461","0.0363","","","0.0839","0.0882","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232618","4.2616","0.0009","22.47","0.005","9.3894","0.0019","90","","90.64","0.03","90","","899.1","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 5-chloro-2-nitrobenzoate","","- C8 H6 Cl N O4 -","- C8 H6 Cl N O4 -","- C32 H24 Cl4 N4 O16 -","4","1","CV5162","Liang, Yan-Shu; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke","Methyl 5-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2011","67","12","o3139","","10.1107/S1600536811044072","","","0.71073","MoKα","","0.045","0.0411","","","0.1121","0.1164","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232619","9.8306","0.0014","11.0841","0.0014","11.9602","0.0013","69.601","0.003","79.867","0.004","72.588","0.004","1161.8","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2,2'-[3-(2-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5- dimethylcyclohex-2-en-1-one)","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C50 H58 N2 O12 -","2","1","CV5170","Cha, Joo Hwan; Kim, Young Hee; Min, Sun-Joon; Cho, Yong Seo; Lee, Jae Kyun","(<i>E</i>)-2,2'-[3-(2-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2011","67","12","o3153","","10.1107/S1600536811043686","","","0.71075","MoKα","","","0.0638","","","","0.1907","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232620","11.208","0.003","15.432","0.003","8.982","0.002","90","","90.701","0.002","90","","1553.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]-4-nitrobenzohydrazide","","- C18 H13 N3 O4 -","- C18 H13 N3 O4 -","- C72 H52 N12 O16 -","4","1","CV5182","An, Yan; Li, Xiaofeng; Zhang, Yingjie","<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]-4-nitrobenzohydrazide","Acta Crystallographica Section E","2011","67","12","o3278","","10.1107/S1600536811045685","","","0.71073","MoKα","","0.1311","0.0694","","","0.1095","0.1271","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232621","6.902","0.0003","11.3965","0.0006","14.8362","0.0008","96.177","0.002","93.381","0.002","106.446","0.002","1107.85","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methylphenyl)prop-2-en-1-one","","- C29 H22 F2 O2 -","- C29 H22 F2 O2 -","- C58 H44 F4 O4 -","2","1","CV5183","Betz, Richard; Gerber, Thomas; Hosten, Eric; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3181","o3182","10.1107/S160053681104579X","","","0.71073","MoKα","","0.0566","0.039","","","0.1013","0.109","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232622","8.0867","0.0001","15.3271","0.0003","20.3369","0.0004","90","","90","","90","","2520.67","0.08","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-Ethyl-10<i>H</i>-phenothiazine-3-carbaldehyde","","- C15 H13 N O S -","- C15 H13 N O S -","- C120 H104 N8 O8 S8 -","8","1","CV5184","Yu, Dao-Hui; Wang, Jian-Qing; Kong, Lin; Liu, Zhao-di","10-Ethyl-10<i>H</i>-phenothiazine-3-carbaldehyde","Acta Crystallographica Section E","2011","67","12","o3344","","10.1107/S1600536811047799","","","0.71073","MoKα","","0.0477","0.0408","","","0.1019","0.1086","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232623","10.673","0.001","22.906","0.002","11.2939","0.0011","90","","95.784","0.001","90","","2747","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{[4-(Dimethylamino)benzylidene]amino}phenyl disulfide","","- C30 H30 N4 S2 -","- C30 H30 N4 S2 -","- C120 H120 N16 S8 -","4","1","CV5186","He, Qing-Peng; Dai, Li; Tan, Bo","2-{[4-(Dimethylamino)benzylidene]amino}phenyl disulfide","Acta Crystallographica Section E","2011","67","12","o3240","","10.1107/S1600536811046277","","","0.71073","MoKα","","0.129","0.0513","","","0.0994","0.1222","","","","","","0.834","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232624","7.0027","0.0008","8.2782","0.0011","12.9164","0.0019","94.953","0.009","102.01","0.005","94.551","0.006","725.99","0.17","93","","93","","","","","","","","","5","P -1","-P 1","2","","2,4-Dibromo-6-[(quinolin-8-ylamino)methylidene]cyclohexa-2,4-dien-1-one monohydrate","","- C16 H12 Br2 N2 O2 -","- C16 H12 Br2 N2 O2 -","- C32 H24 Br4 N4 O4 -","2","1","CV5187","Kawamoto, Keisuke; Shibahara, Takashi","2,4-Dibromo-6-[(quinolin-8-ylamino)methylidene]cyclohexa-2,4-dien-1-one monohydrate","Acta Crystallographica Section E","2011","67","12","o3380","","10.1107/S1600536811048793","","","0.71075","MoKα","","","0.0381","","","","0.1036","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232625","8.018","0.003","8.505","0.003","10.365","0.005","74.56","0.02","83.96","0.03","67.3","0.02","628.5","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","5-(2,4-Dichlorophenoxy)-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C12 H10 Cl2 N2 O2 -","- C12 H10 Cl2 N2 O2 -","- C24 H20 Cl4 N4 O4 -","2","1","CV5188","Shen, Yong-Jun; Xu, Mei; Fan, Chong-Guang","5-(2,4-Dichlorophenoxy)-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","12","o3194","","10.1107/S1600536811045831","","","0.71073","MoKα","","0.0572","0.0543","","","0.1429","0.1458","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232626","5.884","0.003","7.923","0.005","21.898","0.013","90","","93.54","0.03","90","","1018.9","1","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-3-yl)acrylate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","CV5189","Li, Dong-Feng; Zhu, Xiao-Fei; Guan, Shuang; Hou, Rui-Bin","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-3-yl)acrylate","Acta Crystallographica Section E","2011","67","12","o3290","","10.1107/S1600536811046745","","","0.71073","MoKα","","0.0566","0.0416","","","0.1205","0.1355","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232627","12.269","0.003","10.443","0.002","15.702","0.003","90","","108.93","0.03","90","","1903","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorophenoxy)-1-methyl-3-trifluoromethyl-1<i>H</i>- pyrazole-4-carbaldehyde <i>O</i>-[(2-chloropyridin-5-yl)methyl]oxime","","- C18 H13 Cl2 F3 N4 O2 -","- C18 H13 Cl2 F3 N4 O2 -","- C72 H52 Cl8 F12 N16 O8 -","4","1","CV5190","Dai, Hong; Zhu, Peng-Fei; Zhu, Yu-Jun; Fang, Jian-Xin; Shi, Yu-Jun","5-(4-Chlorophenoxy)-1-methyl-3-trifluoromethyl-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-[(2-chloropyridin-5-yl)methyl]oxime","Acta Crystallographica Section E","2011","67","12","o3246","","10.1107/S1600536811046459","","","0.71073","MoKα","","0.0431","0.0349","","","0.0856","0.0904","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232628","4.917","0.002","6.033","0.004","26.68","0.012","90","","90","","90","","791.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(4-Chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","CV5191","Ma, Dong-Sheng; Liu, Pei-Jiang; Zhang, Shuai; Hou, Guang-Feng","2-(4-Chlorophenyl)acetamide","Acta Crystallographica Section E","2011","67","12","o3261","","10.1107/S1600536811046836","","","0.71073","MoKα","","0.0502","0.0366","","","0.0772","0.083","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232629","10.977","0.003","7.688","0.002","15.887","0.005","90","","99.798","0.005","90","","1321.2","0.6","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[6-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]\ butanohydrazide","","- C11 H16 N8 O -","- C11 H16 N8 O -","- C44 H64 N32 O4 -","4","1","CV5192","Yan, Qi-Dong; Xu, Feng; Xu, Jun","<i>N</i>'-[6-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]butanohydrazide","Acta Crystallographica Section E","2011","67","12","o3339","","10.1107/S1600536811048033","","","0.71073","MoKα","","0.0452","0.0364","","","0.0923","0.0979","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232630","8.1405","0.0016","18.68","0.004","13.737","0.003","90","","96.1","0.03","90","","2077.1","0.8","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-Methyl-3-trifluoromethyl-5-[(3-chlorophenyl)sulfanyl]-1<i>H</i>-pyrazole-4- carbaldehyde <i>O</i>-(4-chlorobenzoyl)oxime","","- C19 H12 Cl2 F3 N3 O2 S -","- C19 H12 Cl2 F3 N3 O2 S -","- C76 H48 Cl8 F12 N12 O8 S4 -","4","1","CV5193","Dai, Hong; Zhang, Hai-Jun; Shi, Lei; Luo, Kun-Peng; Shi, Yu-Jun","1-Methyl-3-trifluoromethyl-5-[(3-chlorophenyl)sulfanyl]-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-(4-chlorobenzoyl)oxime","Acta Crystallographica Section E","2011","67","12","o3343","","10.1107/S1600536811047970","","","0.71073","MoKα","","0.0655","0.0494","","","0.1261","0.1374","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232631","10.2421","0.0011","19.672","0.002","11.4739","0.0013","90","","97.198","0.001","90","","2293.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis[2-(benzylideneamino)phenyl] disulfide","","- C26 H20 N2 S2 -","- C26 H20 N2 S2 -","- C104 H80 N8 S8 -","4","1","CV5194","Wang, Yong; Shi, Shanshan; Han, Yanhua; Wei, Guo-Dong","Bis[2-(benzylideneamino)phenyl] disulfide","Acta Crystallographica Section E","2011","67","12","o3364","","10.1107/S1600536811048239","","","0.71073","MoKα","","0.1553","0.0595","","","0.1306","0.1968","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232632","9.7329","0.0005","18.6106","0.0009","24.6522","0.0012","90","","90","","90","","4465.4","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2- en-1-one)","","- C27 H26 O4 -","- C27 H26 O4 -","- C216 H208 O32 -","8","1","CV5195","Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Cha, Joo Hwan; Sato, Hiroyasu","2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2-en-1-one)","Acta Crystallographica Section E","2011","67","12","o3407","","10.1107/S1600536811048355","","","0.71075","MoKα","","","0.0653","","","","0.2305","","","","","","1.105","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232633","6.125","0.003","13.763","0.006","21.537","0.009","90","","90","","90","","1815.5","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>cis</i>-<i>N</i>^1^,<i>N</i>^2^-Bis(2-hydroxybenzylidene)cyclohexane- 1,2-diamine","2-(<i>N</i>-{2-[(2-hydroxybenzylidene)amino]cyclohexyl}carboximidoyl)phenol","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","CV5199","Fan, Ping; Ge, Chunhua; Zhang, Xiangdong; Zhang, Rui; Li, Su","<i>cis</i>-<i>N</i>^1^,<i>N</i>^2^-Bis(2-hydroxybenzylidene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2011","67","12","o3399","","10.1107/S1600536811049038","","","0.71073","MoKα","","0.1064","0.0437","","","0.0923","0.1154","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232634","10.5187","0.0002","12.7525","0.0002","13.7444","0.0002","90","","98.101","0.001","90","","1825.27","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(4-bromophenyl)-1-<i>sec</i>-butyl-1<i>H</i>-benzimidazole-5-carboxylate","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","CV5201","Arumugam, Natarajan; Ngah, Nurziana; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad","Ethyl 2-(4-bromophenyl)-1-<i>sec</i>-butyl-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2011","67","12","o3453","","10.1107/S1600536811048999","","","0.71073","MoKα","","0.0236","0.0221","","","0.0555","0.0562","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232635","11.5004","0.0011","13.6992","0.0013","21.3","0.002","90","","91.065","0.002","90","","3355.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-(3,3'-Dihexyl-2,2'-bithiophene-5,5'-diyl)bis(4,4,5,5-tetramethyl- 1,3,2-dioxaborolane)","","- C32 H52 B2 O4 S2 -","- C32 H52 B2 O4 S2 -","- C128 H208 B8 O16 S8 -","4","1","CV5202","Huang, Lin; Li, Huisheng","2,2'-(3,3'-Dihexyl-2,2'-bithiophene-5,5'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)","Acta Crystallographica Section E","2011","67","12","o3512","","10.1107/S1600536811050938","","","0.71073","MoKα","","0.0509","0.039","","","0.112","0.1177","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232636","9.2415","0.0018","10.047","0.002","11.0949","0.0019","73.312","0.006","66.88","0.006","84.295","0.007","907.4","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","3-Benzylamino-2-cyano-<i>N</i>-[<i>N</i>-(2- fluorophenyl)carbamoyl]-3-(methylsulfanyl)acrylamide","","- C19 H17 F N4 O2 S -","- C19 H17 F N4 O2 S -","- C38 H34 F2 N8 O4 S2 -","2","1","DS2144","Zhong, Shihua; Fan, Mingliang; Liu, Jianbing; Liu, Bingyu","3-Benzylamino-2-cyano-<i>N</i>-[<i>N</i>-(2-fluorophenyl)carbamoyl]-3-(methylsulfanyl)acrylamide","Acta Crystallographica Section E","2011","67","12","o3230","","10.1107/S1600536811046125","","","0.71073","MoKα","","0.0464","0.0347","","","0.0754","0.079","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232637","13.8504","0.001","12.2166","0.0008","9.7164","0.0006","90","","101.248","0.002","90","","1612.48","0.19","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(Phenylsulfonyl)naphtho[2,1-<i>b</i>]furan-1-carboxamide","","- C19 H13 N O4 S -","- C19 H13 N O4 S -","- C76 H52 N4 O16 S4 -","4","1","DS2146","Shetprakash, M.; Suchetan, P. A.; Palakshamurthy, B. S.; Mahadevan, K. M.; Vaidya, V. P.","<i>N</i>-(Phenylsulfonyl)naphtho[2,1-<i>b</i>]furan-1-carboxamide","Acta Crystallographica Section E","2011","67","12","o3491","","10.1107/S1600536811050495","","","0.71073","MoKα","","0.0538","0.0407","","","","0.1334","","","","","","0.848","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232638","6.8109","0.0007","12.0469","0.0013","9.9191","0.0011","90","","102.333","0.001","90","","795.08","0.15","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(aquacalcium)-μ~4~-pyrazine-2,3-dicarboxylato]","","- C6 H4 Ca N2 O5 -","- C6 H4 Ca N2 O5 -","- C24 H16 Ca4 N8 O20 -","4","1","DS2152","Yang, Qing-Feng; Zhang, Yue-Ping; Lu, Jing; Xue, Ping; Wang, Zheng","Poly[(aquacalcium)-μ~4~-pyrazine-2,3-dicarboxylato]","Acta Crystallographica Section E","2011","67","12","m1857","","10.1107/S1600536811050276","","","0.71073","MoKα","","0.0343","0.0283","","","0.0706","0.0746","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232639","7.6878","0.0007","8.2295","0.0008","22.735","0.002","90","","95.752","0.001","90","","1431.1","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(triaquacadmium)-μ-1,4-phenylenediacetato-κ^4^<i>O</i>, <i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]","","- C10 H18 Cd O9 -","- C10 H18 Cd O9 -","- C40 H72 Cd4 O36 -","4","0.5","DS2153","Uebler, Jacob W.; LaDuca, Robert L.","<i>catena</i>-Poly[[(triaquacadmium)-μ-1,4-phenylenediacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]","Acta Crystallographica Section E","2011","67","12","m1771","","10.1107/S1600536811047842","","","0.71073","MoKα","","0.0129","0.0127","","","0.0312","0.0313","","","","","","1.188","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232640","25.0232","0.0009","5.3705","0.0002","8.1289","0.0003","90","","98.537","0.003","90","","1080.32","0.07","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-<i>N</i>-phenylbenzamide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","DS2154","Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef","3-Chloro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2011","67","12","o3329","","10.1107/S1600536811047805","","","0.71073","MoKα","","0.0529","0.0425","","","0.114","0.1235","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232641","7.9444","0.0016","10.643","0.003","15.053","0.003","107.732","0.003","102.473","0.005","93.225","0.007","1173.4","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","1,3-Dimethyl-5-(3-methylphenoxy)-1<i>H</i>-pyrazole-4-carbaldehyde","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","2","DS2155","Dai, Hong; Zhang, Hai-Jun; Shi, Lei; Sun, Hai-Qin; Shi, Yu-Jun","1,3-Dimethyl-5-(3-methylphenoxy)-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","12","o3510","","10.1107/S1600536811050926","","","0.71073","MoKα","","0.0914","0.0573","","","0.0973","0.1004","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232642","14.455","0.002","15.876","0.002","16.013","0.002","87.156","0.003","65.645","0.003","71.291","0.003","3156.3","0.7","293","","293","","","","","","","","","6","P -1","-P 1","2","Corrphycene","Chlorido(12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycenato- κ^4^<i>N</i>)iron(III)","","- C36 H36 Cl Fe N4 O4 -","- C36 H36 Cl Fe N4 O4 -","- C144 H144 Cl4 Fe4 N16 O16 -","4","2","DS2159","Ohgo, Yoshiki; Yokoyama, Yuki; Neya, Saburo; Nakamura, Mikio","Chlorido(12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycenato-κ^4^<i>N</i>)iron(III)","Acta Crystallographica Section E","2011","67","12","m1903","m1904","10.1107/S1600536811051130","","","0.71073","MoKα","","0.1852","0.0973","","","0.2426","0.3046","","","","","","0.931","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232643","7.3292","0.0002","10.8172","0.0003","12.6403","0.0003","90","","120.801","0.001","90","","860.79","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(dihydrogen 3-azaniumyl-1-hydroxypropylidene-1,1-diphosphonato- κ^2^<i>O</i>,<i>O</i>')cobalt(II)","","- C6 H24 Co N2 O16 P4 -","- C6 H24 Co N2 O16 P4 -","- C12 H48 Co2 N4 O32 P8 -","2","0.5","EZ2263","Tsaryk, Natalia V.; Dudko, Anatolij V.; Kozachkova, Alexandra N.; Pekhnyo, Vasily I.","Diaquabis(dihydrogen 3-azaniumyl-1-hydroxypropylidene-1,1-diphosphonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)","Acta Crystallographica Section E","2011","67","12","m1694","","10.1107/S1600536811045120","","","0.71073","MoKα","","0.0367","0.0289","","","0.0765","0.0802","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232644","9.581","0.0009","14.8675","0.0015","14.9056","0.0014","90","","91.538","0.005","90","","2122.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Poly[[tetraaqua(μ~4~-fumarato-κ^5^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''': <i>O</i>''')(μ~3~-fumarato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''') (μ~3~-fumarato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''':<i>O</i>''') dineodymium(III)] trihydrate]","Poly[[tetraaqua-μ~4~-fumarato-di-μ~3~-fumarato-dineodymium(III)] trihydrate]","","- C12 H20 Nd2 O19 -","- C12 H20 Nd2 O19 -","- C48 H80 Nd8 O76 -","4","1","EZ2264","Chen, Hong-ren; Tang, Tian-sheng; Wang, Jin; Liu, Pei-lian; Zhuo, Zeng","Poly[[tetraaqua-μ~4~-fumarato-di-μ~3~-fumarato-dineodymium(III)] trihydrate]","Acta Crystallographica Section E","2011","67","12","m1717","m1718","10.1107/S1600536811046447","","","0.71073","MoKα","","0.0409","0.0303","","","0.0699","0.0748","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232645","7.8804","0.001","11.3152","0.0014","12.3317","0.0014","104.015","0.002","92.015","0.002","101.171","0.002","1042.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile- κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I) perchlorate","","- C20 H12 Ag Cl N8 O4 -","- C20 H12 Ag Cl N8 O4 -","- C40 H24 Ag2 Cl2 N16 O8 -","2","1","EZ2265","Zhang, Fan; Wang, Zhi-Wei; Yang, Yong-Li","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I) perchlorate","Acta Crystallographica Section E","2011","67","12","m1749","","10.1107/S1600536811046708","","","0.71073","MoKα","","0.0502","0.0341","","","0.0813","0.0923","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232646","8.2989","0.0012","16.373","0.002","8.3168","0.0012","90","","111.948","0.002","90","","1048.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazol-1-ium tetraoxidorhenate(VII)","","- C21 H25 N2 O4 Re -","- C21 H25 N2 O4 Re -","- C42 H50 N4 O8 Re2 -","2","0.5","EZ2273","Landman, Marilé; van der Westhuizen, Belinda; Bezuidenhout, Daniela I.; Liles, David C.","1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazol-1-ium tetraoxidorhenate(VII)","Acta Crystallographica Section E","2011","67","12","m1897","","10.1107/S1600536811050677","","","0.71073","MoKα","","0.0362","0.0331","","","0.0813","0.0829","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232647","24.819","0.006","10.918","0.003","17.592","0.004","90","","132.348","0.002","90","","3523.1","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{2-[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine- κ<i>N</i>}copper(II) dinitrate","","- C32 H38 Cu N12 O6 -","- C32 H38 Cu N12 O6 -","- C128 H152 Cu4 N48 O24 -","4","0.5","FF2036","Liu, Jia-Cheng; Guo, Guo-Zhe; Xiao, Chao-Hu; Song, Xue-Yan; Li, Meng","Bis{2-[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}copper(II) dinitrate","Acta Crystallographica Section E","2011","67","12","m1691","","10.1107/S1600536811045636","","","0.71073","MoKα","","0.054","0.0358","","","0.0887","0.1042","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232648","9.101","0.005","9.27","0.005","12.945","0.005","103.73","0.04","92.3","0.04","113.94","0.04","958.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[(1<i>RS</i>,3<i>RS</i>,3a<i>RS</i>,6a<i>SR</i>)-5-Benzyl-4,6-dioxo-3- phenyloctahydropyrrolo[3,4-<i>c</i>]pyrrol-1-yl]acetamide","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C42 H42 N6 O6 -","2","1","FF2039","Kudryavtsev, Konstantin V.; Churakov, Andrei V.; Dogan, Ozdemir","2-[(1<i>RS</i>,3<i>RS</i>,3a<i>RS</i>,6a<i>SR</i>)-5-Benzyl-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-<i>c</i>]pyrrol-1-yl]acetamide","Acta Crystallographica Section E","2011","67","12","o3186","","10.1107/S1600536811045181","","","0.71073","MoKα","","0.0745","0.0354","","","0.0981","0.1082","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232649","6.2266","0.0002","8.068","0.0002","11.9695","0.0003","83.027","0.002","77.993","0.001","87.898","0.001","583.76","0.03","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-5-[(2-Hydroxy-5-methoxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione","","- C10 H9 N3 O2 S2 -","- C10 H9 N3 O2 S2 -","- C20 H18 N6 O4 S4 -","2","1","FF2041","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-5-[(2-Hydroxy-5-methoxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","12","o3311","","10.1107/S1600536811047362","","","0.71073","MoKα","","0.0681","0.04","","","0.0902","0.1015","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232650","12.8429","0.0016","13.4909","0.0017","14.1641","0.0018","110.369","0.002","90.183","0.002","115.632","0.002","2039.6","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,2'-(9,9-Dioctyl-9<i>H</i>-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2- dioxaborolane)","","- C41 H64 B2 O4 -","- C41 H64 B2 O4 -","- C82 H128 B4 O8 -","2","1","FF2043","Huang, Lin","2,2'-(9,9-Dioctyl-9<i>H</i>-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)","Acta Crystallographica Section E","2011","67","12","o3449","","10.1107/S1600536811049452","","","0.71073","MoKα","","0.0782","0.0591","","","0.1743","0.1887","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232651","8.925","0.001","11.3664","0.0014","12.8945","0.0016","90","","99.352","0.009","90","","1290.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-[(3-Ethoxy-2-hydroxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione","","- C11 H11 N3 O2 S2 -","- C11 H11 N3 O2 S2 -","- C44 H44 N12 O8 S8 -","4","1","FF2044","Kargar, Hadi; Kia, Reza","(<i>E</i>)-5-[(3-Ethoxy-2-hydroxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","12","o3437","","10.1107/S1600536811049877","","","0.71073","MoKα","","0.0799","0.046","","","0.0928","0.1027","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232652","9.9495","0.0003","9.9512","0.0003","10.4387","0.0004","67.683","0.002","86.366","0.002","61.979","0.002","835.62","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dichloridobis[diphenyl(4-vinylphenyl)phosphane- κ<i>P</i>]palladium(II)","","- C40 H34 Cl2 P2 Pd -","- C40 H34 Cl2 P2 Pd -","- C40 H34 Cl2 P2 Pd -","1","0.5","FI2114","Meijboom, Reinout","<i>trans</i>-Dichloridobis[diphenyl(4-vinylphenyl)phosphane-κ<i>P</i>]palladium(II)","Acta Crystallographica Section E","2011","67","12","m1663","","10.1107/S1600536811044795","","","0.71069","MoKα","","0.0413","0.041","","","","0.1052","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232653","11.543","0.002","12.282","0.002","8.2793","0.0014","90","","96.476","0.015","90","","1166.3","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(1-vinyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)methanamine- κ<i>N</i>]copper(II) bis(hexafluoridophosphate)","","- C12 H18 Cu F12 N6 P2 -","- C12 H18 Cu F12 N6 P2 -","- C24 H36 Cu2 F24 N12 P4 -","2","0.5","FI2116","Schiller, Alexander; Scopelliti, Rosario; Imhof, Wolfgang","Bis[(1-vinyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)methanamine-κ<i>N</i>]copper(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2011","67","12","m1845","","10.1107/S1600536811050100","","","0.71073","MoKα","","0.0663","0.0473","","","0.1146","0.1232","","","","","","0.974","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232654","4.0671","0.0003","4.0671","0.0003","7.4669","0.0005","90","","90","","90","","123.512","0.015","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","praseodymium(III) oxide bromide","Praseodymium(III) oxide bromide","","- Br O Pr -","- Br O Pr -","- Br2 O2 Pr2 -","2","0.125","FI2117","Talmon-Gros, Pia; Schurz, Christian M.; Schleid, Thomas","The <i>matlockite</i>-type praseodymium(III) oxide bromide PrOBr","Acta Crystallographica Section E","2011","67","12","i74","","10.1107/S1600536811048227","","","0.71069","MoKα","","0.0264","0.0261","","","0.0588","0.0589","","","","","","1.199","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232655","8.026","0.0016","12.923","0.003","11.658","0.002","90","","99.27","0.03","90","","1193.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraaquabis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) naphthalene-1,5-disulfonate","","- C18 H26 Co N4 O10 S2 -","- C18 H26 Co N4 O10 S2 -","- C36 H52 Co2 N8 O20 S4 -","2","0.5","FJ2459","Jin, Yu","Tetraaquabis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2011","67","12","m1686","","10.1107/S160053681104548X","","","0.71073","MoKα","","0.0299","0.0277","","","0.0715","0.0726","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232656","15.398","0.002","11.5131","0.0015","10.9413","0.0011","90","","95.43","0.02","90","","1931","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>Z</i>)-4-ferrocenyl-2-(4-hydroxyanilino)-4-oxobutenoate","","- C22 H21 Fe N O4 -","- C22 H21 Fe N O4 -","- C88 H84 Fe4 N4 O16 -","4","1","FJ2460","Zhu, Bei-Bei; Shi, Yao-Cheng; Zhang, Feng-Min; Yuan, Li-Min; Li, Qian-Kun","Ethyl (<i>Z</i>)-4-ferrocenyl-2-(4-hydroxyanilino)-4-oxobutenoate","Acta Crystallographica Section E","2011","67","12","m1761","","10.1107/S1600536811047763","","","0.71073","MoKα","","0.1001","0.0609","","","0.1499","0.1724","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232657","8.6665","0.0017","23.752","0.005","7.3793","0.0015","90","","110.33","0.03","90","","1424.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Isonicotinamide‒2-naphthoic acid (1/1)","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","FJ2462","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Isonicotinamide‒2-naphthoic acid (1/1)","Acta Crystallographica Section E","2011","67","12","o3440","","10.1107/S1600536811050057","","","0.71073","MoKα","","","0.041","","","","0.1186","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232658","10.011","0.002","8.888","0.002","16.256","0.004","90","","94.528","0.003","90","","1441.9","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>,<i>N</i>-Dimethyl-2-[phenyl(pyridin-2- yl)methylidene]hydrazinecarbothioamide","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C60 H64 N16 S4 -","4","1","FJ2463","Jayakumar, K.; Sithambaresan, M.; Prathapachandra Kurup, M. R.","(<i>Z</i>)-<i>N</i>,<i>N</i>-Dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2011","67","12","o3195","","10.1107/S1600536811045739","","","0.71073","MoKα","","0.0458","0.0389","","","0.1058","0.11","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232659","7.958","0.003","10.89","0.005","12.357","0.005","66.886","0.006","78.637","0.008","73.306","0.008","939.1","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-[(Ferrocen-1-yl)methyl]-3-(naphthalen-1-yl)thiourea","","- C22 H20 Fe N2 S -","- C22 H20 Fe N2 S -","- C44 H40 Fe2 N4 S2 -","2","1","FJ2464","Li, Xia; Liu, Wei","1-[(Ferrocen-1-yl)methyl]-3-(naphthalen-1-yl)thiourea","Acta Crystallographica Section E","2011","67","12","m1744","","10.1107/S1600536811046629","","","0.71073","MoKα","","0.059","0.0401","","","0.0955","0.1054","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232660","23.3751","0.0007","6.9098","0.0002","13.7879","0.0005","90","","99.243","0.002","90","","2198.07","0.12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C28 H19 F2 N O4 -","- C28 H19 F2 N O4 -","- C112 H76 F8 N4 O16 -","4","1","FJ2465","Betz, Richard; Gerber, Thomas; Hosten, Eric; Samshuddin, S.; Narayana, Badiadka; Yathirajan, Hemmige S.","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3179","o3180","10.1107/S1600536811045806","","","0.71073","MoKα","","0.0508","0.0452","","","0.1075","0.1136","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232661","7.4384","0.0015","8.9911","0.0018","11.868","0.002","86.67","0.03","81.66","0.03","85.57","0.03","782.1","0.3","293","2","295","2","","","","","","","","4","P -1","-P 1","2","Glutaric acid‒2-(pyridin-4-yl)-1<i>H</i>-benzimidazole (1/1)","Pentane-1,5-dioic acid‒2-(pyridin-4-yl)-1<i>H</i>-benzimidazole (1/1)","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C34 H34 N6 O8 -","2","1","FJ2466","Lin, Songzhu; Jia, Ruokun; He, Aimin; Gao, Xiaoli","Glutaric acid‒2-(pyridin-4-yl)-1<i>H</i>-benzimidazole (1/1)","Acta Crystallographica Section E","2011","67","12","o3463","","10.1107/S1600536811049695","","","0.71073","MoKα","","0.0853","0.04","","","0.1034","0.1492","","","","","","1.113","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232662","4.87662","0.00013","13.5385","0.0003","14.7981","0.0006","90","","90.858","0.002","90","","976.89","0.05","110","1","110","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-nitrobenzoic acid‒pyrazine (2/1)","","- C18 H12 Cl2 N4 O8 -","- C18 H12 Cl2 N4 O8 -","- C36 H24 Cl4 N8 O16 -","2","0.5","FJ2468","Gotoh, Kazuma; Ishida, Hiroyuki","4-Chloro-2-nitrobenzoic acid‒pyrazine (2/1)","Acta Crystallographica Section E","2011","67","12","o3222","","10.1107/S1600536811046113","","","0.71075","MoKα","","0.0351","0.0289","","","0.078","0.0813","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232663","10.2588","0.0002","18.6417","0.0004","13.3061","0.0002","90","","105.238","0.0012","90","","2455.21","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1',3-tris(trimethylsilyl)titanocene dichloride","[η^5^-1,3-Bis(trimethylsilyl)cyclopentadienyl]dichlorido[η^5^- (trimethylsilyl)cyclopentadienyl]titanium(IV)","","- C19 H34 Cl2 Si3 Ti -","- C19 H34 Cl2 Si3 Ti -","- C76 H136 Cl8 Si12 Ti4 -","4","1","FJ2469","Perdih, Franc","[η^5^-1,3-Bis(trimethylsilyl)cyclopentadienyl]dichlorido[η^5^-(trimethylsilyl)cyclopentadienyl]titanium(IV)","Acta Crystallographica Section E","2011","67","12","m1693","","10.1107/S1600536811046228","","","0.71073","MoKα","","0.0535","0.0365","","","","0.0907","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232664","19.2506","0.0007","8.2855","0.0003","14.888","0.0005","90","","103.46","0.001","90","","2309.42","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)zinc(II)","Bis(dimethyl sulfoxide-κ<i>O</i>)bis(1,1,3-trioxo-2,3-dihydro-1λ^6^,2- benzothiazol-2-ido)zinc(II)","","- C18 H20 N2 O8 S4 Zn -","- C18 H20 N2 O8 S4 Zn -","- C72 H80 N8 O32 S16 Zn4 -","4","1","FJ2470","Potwana, Fezile S. W.; Shandu, Bongakonke E.; Van Zyl, Werner E.","Bis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2011","67","12","m1665","","10.1107/S1600536811045703","","","0.71073","MoKα","","0.039","0.0269","","","0.0619","0.0668","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232665","5.753","0.002","9.512","0.003","14.493","0.005","101.4","0.02","100.06","0.03","97.8","0.03","753.5","0.5","298","1","298","1","101","2","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(2-aminobenzyl)ethane-1,2-diaminium bis(4-methylbenzenesulfonate)","","- C30 H38 N4 O6 S2 -","- C30 H38 N4 O6 S2 -","- C30 H38 N4 O6 S2 -","1","0.5","FJ2471","Garza Rodríguez, Luis Ángel; Bernès, Sylvain; Elizondo Martínez, Perla; Nájera Martínez, Blanca; Rodríguez de Luna, Sara L.","<i>N</i>,<i>N</i>'-Bis(2-aminobenzyl)ethane-1,2-diaminium bis(4-methylbenzenesulfonate)","Acta Crystallographica Section E","2011","67","12","o3235","o3236","10.1107/S1600536811045879","","","0.71073","MoKα","","0.0644","0.0563","","","0.1525","0.1624","","","","","","1.288","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232666","8.6827","0.0013","11.4831","0.0017","11.7317","0.0017","117.773","0.01","101.826","0.014","94.387","0.016","992.8","0.3","298","1","298","1","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(2-azaniumylbenzyl)ethane-1,2-diaminium tetrachloride","","- C16 H26 Cl4 N4 -","- C16 H26 Cl4 N4 -","- C32 H52 Cl8 N8 -","2","1","FJ2472","Garza Rodríguez, Luis Ángel; Bernès, Sylvain; Elizondo Martínez, Perla; Nájera Martínez, Blanca; Pérez Rodríguez, Nancy","<i>N</i>,<i>N</i>'-Bis(2-azaniumylbenzyl)ethane-1,2-diaminium tetrachloride","Acta Crystallographica Section E","2011","67","12","o3237","o3238","10.1107/S1600536811045880","","","0.71073","MoKα","","0.0469","0.0326","","","0.0791","0.0895","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232667","11.218","0.002","15.673","0.003","11.847","0.002","90","","117.417","0.002","90","","1849","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[4-(10<i>H</i>-Indolo[3,2-<i>b</i>]quinolin-11-yl)piperazin-1-yl]propan-1-ol","","- C22 H24 N4 O -","- C22 H24 N4 O -","- C88 H96 N16 O4 -","4","1","FJ2477","Nichol, Gary S.; Boddupally, Peda V. L.; De, Biswanath; Hurley, Laurence H.","3-[4-(10<i>H</i>-Indolo[3,2-<i>b</i>]quinolin-11-yl)piperazin-1-yl]propan-1-ol","Acta Crystallographica Section E","2011","67","12","o3465","o3466","10.1107/S1600536811050215","","","0.71073","MoKα","","0.054","0.0392","","","0.0963","0.1078","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232668","11.7508","0.0006","11.9283","0.0006","17.3129","0.0009","90","","90","","90","","2426.7","0.2","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(1-isopropyl-3- methylimidazolin-2-ylidene)rhodium(I) tetrafluoridoborate","","- C22 H36 B F4 N4 Rh -","- C22 H36 B F4 N4 Rh -","- C88 H144 B4 F16 N16 Rh4 -","4","0.5","FJ2478","Nichol, Gary S.; Rajaseelan, Jonathan; Walton, David P.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(1-isopropyl-3-methylimidazolin-2-ylidene)rhodium(I) tetrafluoridoborate","Acta Crystallographica Section E","2011","67","12","m1860","m1861","10.1107/S1600536811049890","","","0.71073","MoKα","","0.0377","0.0201","","","0.0471","0.0586","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232669","7.432","0.005","14.993","0.005","10.853","0.005","90","","101.738","0.005","90","","1184","1","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-[(2-Hydroxy-3-methoxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione","","- C10 H9 N3 O2 S2 -","- C10 H9 N3 O2 S2 -","- C40 H36 N12 O8 S8 -","4","1","FJ2484","Kargar, Hadi; Kia, Reza","(<i>E</i>)-5-[(2-Hydroxy-3-methoxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","12","o3518","","10.1107/S1600536811050902","","","0.71069","MoKα","","0.1511","0.0573","","","0.064","0.0792","","","","","","0.918","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232670","6.2519","0.0001","9.6773","0.0002","12.9267","0.0002","90.122","0.001","94.726","0.001","101.92","0.001","762.47","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2-(4-Fluorophenyl)-3-isopropylsulfinyl-5,6-methylenedioxy-1-benzofuran","11-(4-fluorophenyl)-12-(propane-2-sulfinyl)-4,6,10- trioxatricyclo[7.3.0.0^3,7^]dodeca-1(9),2,7-triene","","- C18 H15 F O4 S -","- C18 H15 F O4 S -","- C36 H30 F2 O8 S2 -","2","1","FJ2487","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(4-Fluorophenyl)-3-isopropylsulfinyl-5,6-methylenedioxy-1-benzofuran","Acta Crystallographica Section E","2011","67","12","o3504","","10.1107/S1600536811051178","","","0.71073","MoKα","","0.0423","0.0389","","","0.0985","0.1008","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232671","9.7368","0.0014","5.2256","0.001","28.619","0.004","90","","92.126","0.012","90","","1455.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-3-(naphthalen-1-yl)thiourea","","- C18 H14 N2 O S -","- C18 H14 N2 O S -","- C72 H56 N8 O4 S4 -","4","1","FK2043","Saeed, Sohail; Rashid, Naghmana; Jasinski, Jerry P.; Golen, James A.","1-Benzoyl-3-(naphthalen-1-yl)thiourea","Acta Crystallographica Section E","2011","67","12","o3187","","10.1107/S160053681104582X","","","0.71073","MoKα","","0.1107","0.0622","","","0.113","0.1349","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232672","22.4919","0.0014","6.1666","0.0004","22.6801","0.0013","90","","102.015","0.002","90","","3076.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-[(<i>E</i>)-Anthracen-9-ylmethylidene]-3,4-dimethyl-1,2-oxazol-5-amine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","1","FK2045","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Khan, Salman A.; Tahir, M. Nawaz","<i>N</i>-[(<i>E</i>)-Anthracen-9-ylmethylidene]-3,4-dimethyl-1,2-oxazol-5-amine","Acta Crystallographica Section E","2011","67","12","o3487","","10.1107/S1600536811050471","","","0.71073","MoKα","","0.0633","0.0442","","","0.1155","0.1296","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2232673","16.0732","0.0004","7.2497","0.0002","13.1339","0.0003","90","","91.003","0.001","90","","1530.2","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","FK2046","Gohain, Mukut; Muller, Theunis J.; Bezuidenhoudt, Barend C. B.","Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2011","67","12","o3481","","10.1107/S1600536811049865","","","0.71073","MoKα","","0.0508","0.0416","","","","0.1143","","","","","","1.054","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2232674","12.4823","0.0004","10.3535","0.0003","20.0392","0.0005","90","","118.646","0.003","90","","2272.78","0.13","119.9","0.2","119.9","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''- (2-phenylacetyl)phosphoric triamide","","- C24 H28 N3 O2 P -","- C24 H28 N3 O2 P -","- C96 H112 N12 O8 P4 -","4","1","FY2027","Pourayoubi, Mehrdad; Shoghpour, Samad; Torre-Fernández, Laura; García-Granda, Santiago","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''-(2-phenylacetyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","12","o3425","o3426","10.1107/S1600536811049178","","","1.5418","CuKα","","0.0883","0.0731","","","0.2001","0.2155","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232675","9.7995","0.0018","10.034","0.0019","10.481","0.002","100.571","0.003","105.35","0.003","107.957","0.003","905.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-acetamido-3-acetoxy-2-benzyl-3-methylbutanoate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C36 H50 N2 O10 -","2","1","FY2028","Wang, Guang Liang; Zhang, Ji Mei; Zhang, Xin; Xu, Hao; Duan, Gui Yun","Ethyl 4-acetamido-3-acetoxy-2-benzyl-3-methylbutanoate","Acta Crystallographica Section E","2011","67","12","o3418","","10.1107/S1600536811049440","","","0.71073","MoKα","","0.0547","0.0447","","","0.1253","0.1382","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232676","7.5682","0.0003","12.2488","0.0004","20.6905","0.0008","90","","93.99","0.004","90","","1913.39","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(<i>tert</i>-Butyldimethylsilyl)oxy]-6-methoxy-7-methyl- 5-(oxiran-2-ylmethyl)-2-benzofuran-3(1<i>H</i>)-one","","- C19 H28 O5 Si -","- C19 H28 O5 Si -","- C76 H112 O20 Si4 -","4","1","FY2029","Malachowska-Ugarte, Magdalena; Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Dzierzbicka, Krystyna","4-[(<i>tert</i>-Butyldimethylsilyl)oxy]-6-methoxy-7-methyl-5-(oxiran-2-ylmethyl)-2-benzofuran-3(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","12","o3393","","10.1107/S1600536811049026","","","0.71073","MoKα","","0.053","0.0451","","","","0.1229","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232677","7.1583","0.0003","19.1516","0.0008","8.4293","0.0003","90","","94.357","0.004","90","","1152.26","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(Furan-2-yl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","GK2411","Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Pandya, Jalpa R.; Lade, Sunil B.; Joshi, Hitendra S.","(<i>E</i>)-3-(Furan-2-yl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3185","","10.1107/S160053681104373X","","","0.71073","MoKα","","0.0553","0.0386","","","0.0866","0.0962","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232678","20.744","0.004","21.498","0.004","13.623","0.003","90","","90","","90","","6075","2","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","Bis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] octakis-μ-~3~-oxido-hexadeca-μ~2~-oxido-tetradecaoxido-μ~12~- tetraoxosilicato-octamolybdenum(VI)hexavanadium(IV,V) hexahydrate","","- C12 H60 Co2 Mo8 N12 O48 Si V6 -","- C12 H48 Co2 Mo8 N12 O48 Si V6 -","- C48 H192 Co8 Mo32 N48 O192 Si4 V24 -","4","0.5","GK2413","Lu, Yu-Kun; Tian, Ming-Ming; Xu, Shu-Gang; Lü, Ren-Qing; Liu, Yun-Qi","Bis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] octakis-μ-~3~-oxido-hexadeca-μ~2~-oxido-tetradecaoxido-μ~12~-tetraoxosilicato-octamolybdenum(VI)hexavanadium(IV,V) hexahydrate","Acta Crystallographica Section E","2011","67","12","m1776","m1777","10.1107/S1600536811048197","","","0.71073","MoKα","","0.0794","0.0537","","","0.1208","0.1333","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232679","14.4614","0.0005","8.2158","0.0003","21.8894","0.0008","90","","107.231","0.001","90","","2484","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Dichlorobenzyl)pyridinium bis(2-sulfanylidene-1,3-dithiole- 4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)","","- C18 H10 Cl2 N Ni S10 -","- C18 H10 Cl2 N Ni S10 -","- C72 H40 Cl8 N4 Ni4 S40 -","4","1","GK2414","Liu, Guang-Xiang","1-(2,4-Dichlorobenzyl)pyridinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)","Acta Crystallographica Section E","2011","67","12","m1654","","10.1107/S1600536811045004","","","0.71073","MoKα","","0.0395","0.0335","","","0.0883","0.0924","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232680","7.393","0.004","11.122","0.006","16.014","0.008","103.904","0.006","96.04","0.006","103.017","0.006","1227.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2- yl]sulfanyl}acetato)cobalt(II) monohydrate","","- C18 H22 Co N6 O11 S2 -","- C18 H22 Co N6 O11 S2 -","- C36 H44 Co2 N12 O22 S4 -","2","1","GK2415","Yang, Guang-Rui; Li, Guo-Ting","Tetraaquabis(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetato)cobalt(II) monohydrate","Acta Crystallographica Section E","2011","67","12","m1746","m1747","10.1107/S1600536811046526","","","0.71073","MoKα","","0.0916","0.0653","","","0.16","0.1824","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232681","17.9719","0.0014","17.9719","0.0014","29.335","0.005","90","","90","","120","","8205.5","1.7","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","μ~3~-Dodecatungsto(V,VI)aluminato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-tris[aquabis(ethylenediamine- κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C12 H54 Al Cu3 N12 O43 W12 -","- C12 H54 Al Cu3 N12 O43 W12 -","- C72 H324 Al6 Cu18 N72 O258 W72 -","6","0.166667","GK2416","Lu, Yu-Kun; Qu, Yuan-Yuan; Tian, Ming-Ming; Diao, Cheng-Lin; Liu, Yun-Qi","μ~3~-Dodecatungsto(V,VI)aluminato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-tris[aquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","Acta Crystallographica Section E","2011","67","12","m1778","m1779","10.1107/S1600536811048288","","","0.71073","MoKα","","0.0478","0.0348","","","0.0663","0.0706","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232682","27.075","0.011","8.922","0.004","22.983","0.01","90","","132.22","0.05","90","","4112","4","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-Fluorophenyl)-5-[(4-methoxyphenyl)aminomethyl]-6-methyl-2- phenylpyrimidin-4-amine","","- C25 H23 F N4 O -","- C25 H23 F N4 O -","- C200 H184 F8 N32 O8 -","8","1","GK2418","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","<i>N</i>-(2-Fluorophenyl)-5-[(4-methoxyphenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section E","2011","67","12","o3162","","10.1107/S1600536811045028","","","0.71073","MoKα","","0.0674","0.0436","","","0.1148","0.1214","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232683","22.88","0.006","22.044","0.006","13.628","0.004","90","","110.13","0.004","90","","6454","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] bis(μ-2,6-pyridinedicarboxylato)- κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^; κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^- bis[aquadichloridobismuthate(III)] pentahydrate","","- C54 H52 Bi2 Cl6 Cu2 N10 O15 -","- C54 H52 Bi2 Cl6 Cu2 N10 O15 -","- C216 H208 Bi8 Cl24 Cu8 N40 O60 -","4","0.5","GK2419","Wang, Hong-Wei; Liu, Wan-Lan; Feng, Yu-Quan","Bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] bis(μ-2,6-pyridinedicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadichloridobismuthate(III)] pentahydrate","Acta Crystallographica Section E","2011","67","12","m1651","","10.1107/S1600536811045259","","","0.71073","MoKα","","0.0313","0.0248","","","0.0598","0.0631","","","","","","1.036","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2232684","13.0156","0.0003","7.8157","0.0002","12.2264","0.0002","90","","101.027","0.002","90","","1220.78","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-Dibromo-2-[2,5-dibutoxy-4-(3,5-dibromothiophen-2-yl)phenyl]thiophene","","- C22 H22 Br4 O2 S2 -","- C22 H22 Br4 O2 S2 -","- C44 H44 Br8 O4 S4 -","2","0.5","GK2422","Teh, Chin Hoong; Daik, Rusli; Mat Salleh, Muhammad; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","3,5-Dibromo-2-[2,5-dibutoxy-4-(3,5-dibromothiophen-2-yl)phenyl]thiophene","Acta Crystallographica Section E","2011","67","12","o3183","","10.1107/S1600536811045235","","","1.54178","CuKα","","0.031","0.03","","","0.0835","0.0844","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232685","10.8","0.0012","14.0816","0.0016","18.594","0.002","90","","95.997","0.002","90","","2812.3","0.5","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium]-μ-acetato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>'-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2- ylsulfanyl]ethane}-κ^2^<i>N</i>^4^,<i>N</i>^4'^] trihydrate]","","- C24 H28 Cd N6 O7 S2 -","- C24 H28 Cd N6 O7 S2 -","- C96 H112 Cd4 N24 O28 S8 -","4","1","GK2423","Dong, Hua-Ze; Chu, Zhao-Lian","<i>catena</i>-Poly[[[(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium]-μ-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2-ylsulfanyl]ethane}-κ^2^<i>N</i>^4^,<i>N</i>^4'^] trihydrate]","Acta Crystallographica Section E","2011","67","12","m1740","","10.1107/S1600536811046794","","","0.71073","MoKα","","0.0873","0.054","","","0.1026","0.1117","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232686","9.7843","0.0004","3.9514","0.0002","11.6076","0.0005","90","","96.353","0.004","90","","446.01","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6-Bromo-2-methylsulfanyl-1,3-benzothiazole","","- C8 H6 Br N S2 -","- C8 H6 Br N S2 -","- C16 H12 Br2 N2 S4 -","2","1","GK2424","Dobrowolski, Michał A.; Struga, Marta; Szulczyk, Daniel","6-Bromo-2-methylsulfanyl-1,3-benzothiazole","Acta Crystallographica Section E","2011","67","12","o3446","o3447","10.1107/S160053681105015X","","","0.71073","MoKα","","0.0195","0.0165","","","0.0329","0.0332","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232687","17.383","0.004","14.595","0.003","9.476","0.002","90","","90","","90","","2404.1","0.9","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,4-bis(2-hydroxy-phenylbenzylideneamino)benzene","2-{[(4- {[(2-Hydroxyphenyl)(phenyl)methylidene]amino}phenyl)imino](phenyl)methyl}phenol","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C128 H96 N8 O8 -","4","0.5","GK2425","Blagus, Anita; Kaitner, Branko","2-{[(4-{[(2-Hydroxyphenyl)(phenyl)methylidene]amino}phenyl)imino](phenyl)methyl}phenol","Acta Crystallographica Section E","2011","67","12","o3252","","10.1107/S1600536811046988","","","0.71073","MoKα","","0.091","0.0521","","","0.1354","0.1487","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232688","11.093","0.0002","20.0537","0.0003","13.1409","0.0002","90","","90","","90","","2923.27","0.08","193","2","193","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","[8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone","","- C34 H36 O6 -","- C34 H36 O6 -","- C136 H144 O24 -","4","0.5","GK2430","Sasagawa, Kosuke; Muto, Toyokazu; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","[8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone","Acta Crystallographica Section E","2011","67","12","o3354","","10.1107/S1600536811048550","","","1.54187","CuKα","","0.0377","0.0365","","","0.104","0.1051","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232689","7.3802","0.0005","13.7973","0.0009","13.4638","0.0008","90","","96.997","0.003","90","","1360.77","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(2,5-Dimethylthiophen-3-yl)-3-(3-nitrophenyl)prop-2-en-1-one","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","GK2432","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Khan, Salman A.; Tahir, M. Nawaz","(2<i>E</i>)-1-(2,5-Dimethylthiophen-3-yl)-3-(3-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3333","","10.1107/S1600536811047933","","","0.71073","MoKα","","0.092","0.047","","","0.1006","0.1167","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2232690","21.1662","0.0016","9.8317","0.0007","22.565","0.002","90","","117.163","0.001","90","","4177.9","0.6","296","2","296","2","","","","","","","","4","I 1 2 1","I 2y","5","","2-Methoxy-<i>N</i>-[(<i>S</i>)-3-methylbutan-2-yl]- 6-{[(<i>S</i>)-3-methylbutan-2-yl]amino}-3,5-dinitrobenzamide","","- C18 H28 N4 O6 -","- C18 H28 N4 O6 -","- C144 H224 N32 O48 -","8","2","GK2433","Wu, Xuefen; Chen, Xi; Hou, Yimin","2-Methoxy-<i>N</i>-[(<i>S</i>)-3-methylbutan-2-yl]-6-{[(<i>S</i>)-3-methylbutan-2-yl]amino}-3,5-dinitrobenzamide","Acta Crystallographica Section E","2011","67","12","o3482","","10.1107/S1600536811049749","","","0.71073","MoKα","","0.1005","0.06","","","0.1638","0.1877","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232691","21.237","0.0005","6.394","0.0001","23.1045","0.0005","90","","100.585","0.001","90","","3083.96","0.11","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^- Tetrakis(2,3,4,5,6-pentafluorobenzoyl)pyridine-2,6-diamine","","- C33 H3 F20 N3 O4 -","- C33 H3 F20 N3 O4 -","- C132 H12 F80 N12 O16 -","4","0.5","GK2434","Valkonen, Arto; Kolehmainen, Erkki; Ośmiałowski, Borys","<i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^-Tetrakis(2,3,4,5,6-pentafluorobenzoyl)pyridine-2,6-diamine","Acta Crystallographica Section E","2011","67","12","o3429","o3430","10.1107/S1600536811048768","","","0.71073","MoKα","","0.0908","0.0573","","","0.1162","0.1325","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232692","12.9024","0.0005","10.0095","0.0004","20.8585","0.0011","90","","90","","90","","2693.8","0.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Diethyl-3-(4-methoxybenzoyl)thiourea","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C104 H144 N16 O16 S8 -","8","1","GK2435","Al-abbasi, Aisha A.; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","1,1-Diethyl-3-(4-methoxybenzoyl)thiourea","Acta Crystallographica Section E","2011","67","12","o3414","","10.1107/S1600536811049208","","","1.54178","CuKα","","0.0484","0.0416","","","0.1165","0.1323","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232693","8.8548","0.0004","13.8402","0.0007","20.1352","0.001","71.399","0.002","82.731","0.002","72.789","0.002","2232.58","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","1286 [Fe(PNP-triazine-OEt)(CH3CN)3](BF4)2.(CH3CN)2","Tris(acetonitrile-κ<i>N</i>){2,6-bis[(diphenylphosphanyl)amino]-4-ethoxy- 1,3,5-triazine-κ^3^<i>P</i>,<i>N</i>^1^,<i>P</i>'}iron(II) bis(tetrafluoridoborate) acetonitrile disolvate","","- C39 H42 B2 F8 Fe N10 O P2 -","- C39 H42 B2 F8 Fe N10 O P2 -","- C78 H84 B4 F16 Fe2 N20 O2 P4 -","2","1","GK2437","Koley, Moumita; Kirchner, Karl; Mereiter, Kurt","Tris(acetonitrile-κ<i>N</i>){2,6-bis[(diphenylphosphanyl)amino]-4-ethoxy-1,3,5-triazine-κ^3^<i>P</i>,<i>N</i>^1^,<i>P</i>'}iron(II) bis(tetrafluoridoborate) acetonitrile disolvate","Acta Crystallographica Section E","2011","67","12","m1842","m1843","10.1107/S1600536811049804","","","0.71073","MoKα","","0.0443","0.0381","","","0.0979","0.1024","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232694","8.809","0.0002","19.9017","0.0004","20.9053","0.0005","90","","90","","90","","3664.99","0.14","295","2","295","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","<i>catena</i>-Poly[[[(pyridine-κ<i>N</i>)copper(II)]-μ- 3-{1-[(2-aminoethyl)imino]ethyl}-6-methyl-2-oxo-2<i>H</i>-pyran-4-olato- κ^4^<i>N</i>,<i>N</i>,<i>O</i>^4^:<i>O</i>^2^] perchlorate]","","- C15 H18 Cl Cu N3 O7 -","- C15 H18 Cl Cu N3 O7 -","- C120 H144 Cl8 Cu8 N24 O56 -","8","1","GO2033","Ourari, Ali; Derafa, Wassila; Bouacida, Sofiane; Aggoun, Djouhra","<i>catena</i>-Poly[[[(pyridine-κ<i>N</i>)copper(II)]-μ-3-{1-[(2-aminoethyl)imino]ethyl}-6-methyl-2-oxo-2<i>H</i>-pyran-4-olato-κ^4^<i>N</i>,<i>N</i>,<i>O</i>^4^:<i>O</i>^2^] perchlorate]","Acta Crystallographica Section E","2011","67","12","m1720","m1721","10.1107/S1600536811046411","","","0.71073","MoKα","","0.0652","0.0403","","","0.1052","0.1211","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232695","17.1059","0.0005","11.8596","0.0004","24.5073","0.001","90","","108.113","0.002","90","","4725.4","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,8-Bis(3-hydroxy-3-methylbut-1-yn-1-yl)-2,11-dithia[3.3]paracyclophane","2,2'-dimethyl-4,4'-(3,10-dithiatricyclo[10.2.2.2^5,8^]octadeca- 1(14),5,7,12,15,17-hexaen-6,17-diyl)dibut-3-yn-2-ol","","- C26 H28 O2 S2 -","- C26 H28 O2 S2 -","- C208 H224 O16 S16 -","8","1","GO2035","Wu, Di; Huang, Jie","5,8-Bis(3-hydroxy-3-methylbut-1-yn-1-yl)-2,11-dithia[3.3]paracyclophane","Acta Crystallographica Section E","2011","67","12","o3374","","10.1107/S1600536811048446","","","0.71073","MoKα","","0.118","0.0658","","","0.1306","0.1489","","","","","","0.917","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232696","12.047","0.002","8.229","0.0016","13.086","0.003","90","","90","","90","","1297.3","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide monohydrate","","- C11 H10 Cl2 N2 O3 -","- C11 H10 Cl2 N2 O3 -","- C44 H40 Cl8 N8 O12 -","4","1","GW2111","Wang, De-Cai; Huang, Liang-Cheng; Liu, Hua-Quan; Peng, Yu-Ran; Song, Jun-Song","<i>N</i>-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide monohydrate","Acta Crystallographica Section E","2011","67","12","o3207","","10.1107/S1600536811044734","","","0.71073","MoKα","","0.0613","0.0452","","","0.1083","0.1179","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232697","7.2667","0.0005","7.9624","0.0005","8.8306","0.0008","89.28","0.006","75.934","0.007","71.906","0.006","470.01","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","3-Oxo-5-(piperidin-1-yl)-2,3-dihydro-1<i>H</i>-pyrazole-4-carbonitrile","","- C9 H12 N4 O -","- C9 H12 N4 O -","- C18 H24 N8 O2 -","2","1","HB6450","Al-Adiwish, Wedad M.; Yaacob, W. A.; Adan, D.; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","3-Oxo-5-(piperidin-1-yl)-2,3-dihydro-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2011","67","12","o3318","","10.1107/S1600536811047714","","","1.54178","CuKα","","0.0593","0.0568","","","0.1636","0.1664","","","","","","1.113","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232698","10.062","0.0006","14.4431","0.0008","11.1456","0.0007","90","","99.174","0.001","90","","1599.03","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[lead(II)-μ-<i>N</i>'-[1-(pyridin-2- yl-κ<i>N</i>)ethylidene]isonicotinohydrazidato- κ^3^<i>N</i>',<i>O</i>:<i>N</i>^1^] perchlorate]","","- C13 H11 Cl N4 O5 Pb -","- C13 H11 Cl N4 O5 Pb -","- C52 H44 Cl4 N16 O20 Pb4 -","4","1","HB6465","Shahverdizadeh, Gholam Hossein; Tiekink, Edward R. T.; Mirtamizdoust, Babak","<i>catena</i>-Poly[[lead(II)-μ-<i>N</i>'-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]isonicotinohydrazidato-κ^3^<i>N</i>',<i>O</i>:<i>N</i>^1^] perchlorate]","Acta Crystallographica Section E","2011","67","12","m1727","m1728","10.1107/S1600536811046691","","","0.71073","MoKα","","0.0315","0.0222","","","0.0509","0.0555","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232699","17.822","0.006","12.995","0.006","22.381","0.007","90","","90","","90","","5183","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Acetato-κ<i>O</i>)(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11- tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc perchlorate","","- C20 H43 Cl N4 O6 Zn -","- C20 H43 Cl N4 O6 Zn -","- C160 H344 Cl8 N32 O48 Zn8 -","8","1","HB6470","Roy, Tapashi G.; Hazari, Saroj K. S.; Barua, Kanak K.; Tiekink, Edward R. T.","(Acetato-κ<i>O</i>)(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc perchlorate","Acta Crystallographica Section E","2011","67","12","m1659","m1660","10.1107/S1600536811045582","","","0.71073","MoKα","","0.0896","0.0804","","","0.1783","0.1832","","","","","","1.289","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2232700","7.5017","0.0007","7.1542","0.0006","20.6369","0.0018","90","","91.878","0.001","90","","1106.96","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(2-Methoxyphenoxy)-3-nitropyridine","2-(2-Methoxyphenoxy)-3-nitropyridine","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","HB6471","Nasir, Shah Bakhtiar; Fairuz, Zainal Abidin; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","2-(2-Methoxyphenoxy)-3-nitropyridine","Acta Crystallographica Section E","2011","67","12","o3174","","10.1107/S1600536811045247","","","0.71073","MoKα","","0.0475","0.0374","","","0.0954","0.1028","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232701","5.9565","0.0004","7.9936","0.0006","25.0603","0.0018","90","","92.744","0.001","90","","1191.85","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)quinolin-2-amine","","- C15 H11 Cl N2 -","- C15 H11 Cl N2 -","- C60 H44 Cl4 N8 -","4","1","HB6472","Hasan, Zainal Abidin; Abdullah, Zanariah; Tajuddin, Hairul Anuar; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-(4-Chlorophenyl)quinolin-2-amine","Acta Crystallographica Section E","2011","67","12","o3175","","10.1107/S1600536811045521","","","0.71073","MoKα","","0.0569","0.0517","","","0.1313","0.1343","","","","","","1.112","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232702","30.472","0.003","3.8032","0.0004","21.3","0.002","90","","123.153","0.001","90","","2066.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-(4-Chlorphenyl)-3-nitropyridine-2-amine","<i>N</i>-(4-Chlorophenyl)-3-nitropyridin-2-amine","","- C11 H8 Cl N3 O2 -","- C11 H8 Cl N3 O2 -","- C88 H64 Cl8 N24 O16 -","8","1","HB6473","Akhmad Aznan, Aina Mardia; Fairuz, Zainal Abidin; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-(4-Chlorophenyl)-3-nitropyridin-2-amine","Acta Crystallographica Section E","2011","67","12","o3176","","10.1107/S1600536811045570","","","0.71073","MoKα","","0.0461","0.0342","","","0.0834","0.0907","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232703","13.017","0.003","12.771","0.003","11.952","0.003","90","","115.76","0.003","90","","1789.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-<i>tert</i>-Butyl 3-ethyl 1-isopropyl-4,5,6,7-tetrahydro-1<i>H</i>- pyrazolo[4,3-<i>c</i>]pyridine-3,5-dicarboxylate","","- C17 H27 N3 O4 -","- C17 H27 N3 O4 -","- C68 H108 N12 O16 -","4","1","HB6476","Guo, Huan-Mei","5-<i>tert</i>-Butyl 3-ethyl 1-isopropyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2011","67","12","o3239","","10.1107/S1600536811046332","","","0.71073","MoKα","","0.0747","0.0601","","","0.1186","0.1276","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232704","6.5507","0.0009","11.733","0.001","22.338","0.003","90","","90","","90","","1716.9","0.4","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>*,4a<i>S</i>*,4b<i>S</i>*,5<i>R</i>*,10a<i>R</i>*)-4-Hydroxy-4a,5-\ dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthren-1-one","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","HB6477","Caracelli, Ignez; Zukerman-Schpector, Julio; Machado, André T. Lousada; Brocksom, Timothy J.; Ferreira, M. Lúcia; Tiekink, Edward R. T.","(4<i>R</i>*,4a<i>S</i>*,4b<i>S</i>*,5<i>R</i>*,10a<i>R</i>*)-4-Hydroxy-4a,5-dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthren-1-one","Acta Crystallographica Section E","2011","67","12","o3338","","10.1107/S1600536811048008","","","0.71073","MoKα","","0.1028","0.0372","","","0.0958","0.1219","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232705","33.105","0.005","7.1288","0.001","13.4964","0.0019","90","","107.17","0.002","90","","3043.2","0.8","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(2-methoxyphenyl)ethylidene]hydrazine","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C120 H112 N32 O40 -","8","1","HB6478","Fun, Hoong-Kun; Nilwanna, Boonlerd; Jansrisewangwong, Patcharaporn; Kobkeatthawin, Thawanrat; Chantrapromma, Suchada","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(2-methoxyphenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2011","67","12","o3202","o3203","10.1107/S1600536811045417","","","0.71073","MoKα","","0.0595","0.0416","","","0.1085","0.1241","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232706","12.667","0.003","10.321","0.002","18.754","0.004","90","","107.779","0.003","90","","2334.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{1,2-bis[bis(3-methoxypropyl)phosphanyl]ethane-\ κ^2^<i>P</i>,<i>P</i>'}dichloridoosmium(II)","","- C36 H80 Cl2 O8 Os P4 -","- C36 H80 Cl2 O8 Os P4 -","- C72 H160 Cl4 O16 Os2 P8 -","2","0.5","HB6479","Szymczak, Nathaniel K.; Zakharov, Lev N.; Tyler, David R.","Bis{1,2-bis[bis(3-methoxypropyl)phosphanyl]ethane-κ^2^<i>P</i>,<i>P</i>'}dichloridoosmium(II)","Acta Crystallographica Section E","2011","67","12","m1808","","10.1107/S1600536811048926","","","0.71073","MoKα","","0.0339","0.0244","","","0.0531","0.0579","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232707","13.628","0.0008","10.2908","0.0005","10.7299","0.0005","90","","113.039","0.002","90","","1384.77","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-({[(1-Phenylethyl)sulfanyl]methanethioyl}sulfanyl)propanoic acid","","- C12 H14 O2 S3 -","- C12 H14 O2 S3 -","- C48 H56 O8 S12 -","4","1","HB6480","Kannan, M.; Ramkumar, V.; Dhamodharan, R.","3-({[(1-Phenylethyl)sulfanyl]methanethioyl}sulfanyl)propanoic acid","Acta Crystallographica Section E","2011","67","12","o3352","","10.1107/S1600536811046873","","","0.71073","MoKα","","0.0552","0.0359","","","0.0836","0.0948","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232708","26.1649","0.0003","22.0926","0.0003","16.9697","0.0002","90","","90.662","0.001","90","","9808.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(<i>N</i>,<i>N</i>-diisobutylcarbamoyl)methyl]octyl(phenyl)phosphine oxide","","- C24 H42 N O2 P -","- C24 H42 N O2 P -","- C384 H672 N16 O32 P16 -","16","4","HB6481","Pojarová, Michaela; Fejfarová, Karla; Makrlík, Emanuel","Low-temperature superstructure of [(<i>N</i>,<i>N</i>-diisobutylcarbamoyl)methyl]octyl(phenyl)phosphine oxide (CMPO)","Acta Crystallographica Section E","2011","67","12","o3272","o3273","10.1107/S1600536811046939","","","1.5418","CuKα","","0.0702","0.0502","","","0.1225","0.1353","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232709","14.6143","0.0011","14.492","0.0012","9.8419","0.0008","90","","98.208","0.001","90","","2063.1","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[chlorido(1,10-phenanthroline)copper(II)]-μ- {2-[(1<i>S</i>,3<i>S</i>)-3-acetyl-2,2-dimethylcyclobutyl]acetato}]","","- C22 H23 Cl Cu N2 O3 -","- C22 H23 Cl Cu N2 O3 -","- C88 H92 Cl4 Cu4 N8 O12 -","4","1","HB6482","Ma, Shi-ying; Li, Yan-fei","<i>catena</i>-Poly[[chlorido(1,10-phenanthroline)copper(II)]-μ-{2-[(1<i>S</i>,3<i>S</i>)-3-acetyl-2,2-dimethylcyclobutyl]acetato}]","Acta Crystallographica Section E","2011","67","12","m1789","","10.1107/S1600536811048586","","","0.71073","MoKα","","0.0503","0.0357","","","0.0884","0.0965","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232710","15.501","0.003","10.8569","0.0017","8.1579","0.0013","90","","90","","90","","1372.9","0.4","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","AT24","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-diphenylphosphoric triamide","","- C14 H18 N3 O P -","- C14 H18 N3 O P -","- C56 H72 N12 O4 P4 -","4","0.5","HB6483","Pourayoubi, Mehrdad; Yousefi, Mohammad; Eslami, Farnaz; Rheingold, Arnold L.; Chen, Chao","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-diphenylphosphoric triamide","Acta Crystallographica Section E","2011","67","12","o3220","","10.1107/S1600536811046058","","","0.71073","MoKα","","0.0297","0.0284","","","0.0816","0.0835","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232711","13.7998","0.0004","11.0667","0.0003","14.7487","0.0005","90","","112.674","0.001","90","","2078.31","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13-benzylamino-12,14-dioxa-13λ^5^- phosphapentacyclo[13.8.0.0^2,11^.0^3,8^.0^18,23^]tricosa- 1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-one","1,1'-Binaphthyl-2,2'-diyl benzylphosphoramidate","","- C27 H20 N O3 P -","- C27 H20 N O3 P -","- C108 H80 N4 O12 P4 -","4","1","HB6484","Gowda, Ravikumar R.; Ramkumar, Venkatachalam; Chakraborty, Debashis","1,1'-Binaphthyl-2,2'-diyl benzylphosphoramidate","Acta Crystallographica Section E","2011","67","12","o3310","","10.1107/S1600536811046861","","","0.71073","MoKα","","0.0631","0.0392","","","0.0914","0.1038","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232712","11.6242","0.0015","9.7516","0.0013","12.6465","0.0016","90","","96.409","0.002","90","","1424.6","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2,3-Dihydroxybenzylidene)-4-methoxybenzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","HB6485","Promdet, Premrudee; Horkaew, Jirapa; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-<i>N</i>'-(2,3-Dihydroxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2011","67","12","o3224","","10.1107/S1600536811045740","","","0.71073","MoKα","","0.0944","0.0457","","","0.1061","0.1362","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232713","11.858","0.002","12.786","0.003","16.044","0.003","90","","94.63","0.03","90","","2424.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(4-Benzhydrylpiperazin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","HB6487","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(<i>E</i>)-1-(4-Benzhydrylpiperazin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3200","","10.1107/S1600536811045922","","","0.71073","MoKα","","0.1698","0.0768","","","0.1259","0.1551","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232714","10.8303","0.0008","8.9112","0.0007","14.9437","0.0011","90","","101.483","0.001","90","","1413.36","0.18","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Nitro-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]benzohydrazide","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C56 H48 N16 O12 -","4","1","HB6488","Li, Xiaofeng; An, Yan; Chen, Yiqing; Chen, Lishen","2-Nitro-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","12","o3353","","10.1107/S1600536811049257","","","0.71073","MoKα","","0.0563","0.043","","","0.1136","0.1258","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232715","19.3315","0.0006","9.6523","0.0003","29.9731","0.0008","90","","127.817","0.002","90","","4418.1","0.3","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","7'-Phenyl-5',6',7',7a'-tetrahydrodipiro[indan-2,5'- pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione","","- C28 H21 N O3 S -","- C28 H21 N O3 S -","- C224 H168 N8 O24 S8 -","8","2","HB6489","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Quah, Ching Kheng; Fun, Hoong-Kun","7'-Phenyl-5',6',7',7a'-tetrahydrodipiro[indan-2,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2011","67","12","o3218","o3219","10.1107/S1600536811046174","","","0.71073","MoKα","","0.1302","0.0664","","","0.1312","0.155","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232716","9.2274","0.0008","15.0109","0.0009","9.2681","0.0003","90","","90","","90","","1283.74","0.14","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(3,4-Dimethoxyphenyl)-1<i>H</i>-benzimidazole","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","HB6490","Khalaji, Aliakbar Dehno; Foroghnia, Alireza; Khalilzadeh, Mohammad Ali; Fejfarová, Karla; Dušek, Michal","2-(3,4-Dimethoxyphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2011","67","12","o3255","","10.1107/S1600536811046897","","","1.5418","CuKα","","0.0273","0.0262","","","0.0705","0.0716","","","","","","1.46","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232717","9.4119","0.0013","9.4119","0.0013","21.96","0.004","90","","90","","120","","1684.7","0.4","293","2","293","2","","","","","","","","6","P 65","P 65","170","","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium hydrogen sulfate","","- C8 H7 F3 N2 O4 S -","- C8 H7 F3 N2 O4 S -","- C48 H42 F18 N12 O24 S6 -","6","1","HB6491","Liu, Ming-Liang","2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium hydrogen sulfate","Acta Crystallographica Section E","2011","67","12","o3473","","10.1107/S1600536811048811","","","0.71073","MoKα","","0.053","0.0522","","","0.1333","0.1339","","","","","","1.11","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232718","8.3236","0.0017","13.484","0.003","15.808","0.003","90","","90","","90","","1774.2","0.6","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Benzyltriethylammonium aquatrichloridozinc","","- C13 H24 Cl3 N O Zn -","- C13 H24 Cl3 N O Zn -","- C52 H96 Cl12 N4 O4 Zn4 -","4","1","HB6492","Jin, Lei","Benzyltriethylammonium aquatrichloridozincate","Acta Crystallographica Section E","2011","67","12","m1793","","10.1107/S1600536811048823","","","0.71073","MoKα","","0.0428","0.034","","","0.0736","0.077","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232719","10.227","0.002","11.897","0.002","20.149","0.004","90","","100.04","0.03","90","","2414","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}-3-(4- ethoxyphenyl)prop-2-en-1-one","","- C28 H28 F2 N2 O2 -","- C28 H28 F2 N2 O2 -","- C112 H112 F8 N8 O8 -","4","1","HB6495","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(<i>E</i>)-1-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}-3-(4-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3342","","10.1107/S160053681104801X","","","0.71073","MoKα","","0.1164","0.0604","","","0.1583","0.1871","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232720","16.1044","0.0012","8.2099","0.0005","19.0303","0.0013","90","","90","","90","","2516.1","0.3","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","1,3-diisopropyl-naphthalene","1,3-Bis(propan-2-yl)naphthalene","","- C16 H20 -","- C16 H20 -","- C128 H160 -","8","1","HB6496","Schröder, Bernd; Gomes, Ligia Rebelo; Low, John Nicolson","1,3-Bis(propan-2-yl)naphthalene","Acta Crystallographica Section E","2011","67","12","o3334","","10.1107/S1600536811047854","","","0.71073","MoKα","","0.0581","0.0455","","","0.1004","0.1075","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232721","12.7793","0.0005","13.997","0.0007","13.2188","0.0009","90","","109.999","0.008","90","","2221.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzyl 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidine-1- carboxylate","","- C25 H22 F6 N2 O3 -","- C25 H22 F6 N2 O3 -","- C100 H88 F24 N8 O12 -","4","1","HB6498","de Souza, Marcus V. N.; Gonçalves, Raoni S. B.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Benzyl 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidine-1-carboxylate","Acta Crystallographica Section E","2011","67","12","o3313","o3314","10.1107/S1600536811047738","","","0.71073","MoKα","","0.0498","0.0393","","","0.1011","0.1065","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232722","9.888","0.003","10.696","0.003","21.158","0.005","90","","90","","90","","2237.7","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl 2-{[2,8-bis(trifluoromethyl)quinolin-4- yl](hydroxy)methyl}piperidine-1-carboxylate","","- C22 H24 F6 N2 O3 -","- C22 H24 F6 N2 O3 -","- C88 H96 F24 N8 O12 -","4","1","HB6499","Gonçalves, Raoni S. B.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","<i>tert</i>-Butyl 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidine-1-carboxylate","Acta Crystallographica Section E","2011","67","12","o3315","o3316","10.1107/S1600536811047726","","","1.54187","CuKα","","0.0547","0.0541","","","0.1282","0.1297","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232723","8.2277","0.0006","9.338","0.0006","10.5986","0.0007","89.062","0.002","76.752","0.002","83.674","0.002","787.76","0.09","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate","","- C17 H15 Cl O5 -","- C17 H15 Cl O5 -","- C34 H30 Cl2 O10 -","2","1","HB6500","Fun, Hoong-Kun; Quah, Ching Kheng; Vijesh, A. M.; Isloor, A. M.; Arulmoli, T.","2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate","Acta Crystallographica Section E","2011","67","12","o3351","","10.1107/S1600536811048264","","","0.71073","MoKα","","0.0809","0.052","","","0.1694","0.2336","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232724","5.7286","0.0003","7.4225","0.0005","15.4274","0.0009","85.337","0.001","89.772","0.001","82.519","0.001","648.23","0.07","296","","296","","","","","","","","","5","P -1","-P 1","2","","2-(4-Chloroanilino)-1-(4-chlorophenyl)ethanone","","- C14 H11 Cl2 N O -","- C14 H11 Cl2 N O -","- C28 H22 Cl4 N2 O2 -","2","1","HB6501","Fun, Hoong-Kun; Quah, Ching Kheng; Vijesh, A. M.; Isloor, A. M.; Arulmoli, T.","2-(4-Chloroanilino)-1-(4-chlorophenyl)ethanone","Acta Crystallographica Section E","2011","67","12","o3373","","10.1107/S1600536811048276","","","0.71073","MoKα","","0.0539","0.0383","","","0.1073","0.1207","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232725","16.0547","0.0014","11.4125","0.0011","25.364","0.002","90","","94.202","0.002","90","","4634.8","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-(4,4''-Difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-3-(morpholin-4- ylmethyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione","","- C25 H21 F2 N3 O3 S -","- C25 H21 F2 N3 O3 S -","- C200 H168 F16 N24 O24 S8 -","8","1","HB6502","Fun, Hoong-Kun; Arshad, Suhana; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","5-(4,4''-Difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","12","o3372","","10.1107/S1600536811048471","","","0.71073","MoKα","","0.0735","0.0439","","","0.1246","0.1431","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232726","9.9867","0.0002","21.514","0.0003","11.9793","0.0002","90","","117.197","0.001","90","","2289.24","0.07","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(3-Chlorophenyl)-3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4,5- trimethoxyphenyl)-4<i>H</i>-1,2,4-triazole","","- C24 H20 Cl F2 N3 O3 S -","- C24 H20 Cl F2 N3 O3 S -","- C96 H80 Cl4 F8 N12 O12 S4 -","4","1","HB6503","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","4-(3-Chlorophenyl)-3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2011","67","12","o3422","o3423","10.1107/S1600536811048653","","","0.71073","MoKα","","0.0696","0.0489","","","0.1006","0.11","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232727","9.3523","0.0002","10.1949","0.0002","15.6465","0.0004","90","","118.842","0.002","90","","1306.77","0.06","100","1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-2-oxoethyl 4-methoxybenzoate","","- C16 H13 F O4 -","- C16 H13 F O4 -","- C64 H52 F4 O16 -","4","1","HB6504","Fun, Hoong-Kun; Loh, Wan-Sin; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Fluorophenyl)-2-oxoethyl 4-methoxybenzoate","Acta Crystallographica Section E","2011","67","12","o3456","","10.1107/S1600536811049233","","","0.71073","MoKα","","0.0864","0.0549","","","0.1322","0.1513","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232728","30.7759","0.0007","7.2406","0.0002","16.9271","0.0004","90","","120.009","0.001","90","","3266.32","0.14","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 7-pivaloylamino-1,8-naphthyridine-2-carboxylate sesquihydrate","","- C32 H44 N6 O9 -","- C32 H44 N6 O9 -","- C128 H176 N24 O36 -","4","0.5","HB6505","Fun, Hoong-Kun; Hemamalini, Madhukar; Hazra, Anita; Goswami, Shyamaprosad","Ethyl 7-pivaloylamino-1,8-naphthyridine-2-carboxylate sesquihydrate","Acta Crystallographica Section E","2011","67","12","o3415","","10.1107/S160053681104921X","","","0.71073","MoKα","","0.0479","0.0387","","","0.1015","0.1083","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232729","14.6655","0.0003","7.8902","0.0002","28.6651","0.0007","90","","98.251","0.001","90","","3282.61","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[(3,5-Dimethyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]indan-1,3-dione","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","HB6509","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Khan, Salman A.; Tahir, M. Nawaz","2-[(3,5-Dimethyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]indan-1,3-dione","Acta Crystallographica Section E","2011","67","12","o3419","","10.1107/S1600536811049488","","","0.71073","MoKα","","0.0661","0.0418","","","0.0979","0.1121","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2232730","8.578","0.005","11.229","0.005","19.952","0.005","90","","94.952","0.005","90","","1914.7","1.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-aminopyridinium-5-(3-chloro-4,6-dinitrophenyl)-1,3-dimethylbarbiturate","2-Aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethyl-2,4-dioxo- 1,2,3,4-tetrahydropyrimidin-6-olate","","- C17 H15 Cl N6 O7 -","- C17 H15 Cl N6 O7 -","- C68 H60 Cl4 N24 O28 -","4","1","HB6510","Manickkam, Vaduganathan; Kalaivani, Doraisamyraja","2-Aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-6-olate","Acta Crystallographica Section E","2011","67","12","o3475","","10.1107/S1600536811049518","","","0.71073","MoKα","","0.0638","0.0443","","","0.1129","0.1242","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232731","16.8923","0.0007","8.0793","0.0006","23.6427","0.0017","90","","90","","90","","3226.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 Br O4 S -","- C16 H15 Br O4 S -","- C128 H120 Br8 O32 S8 -","8","1","HB6511","Vepuri, Suresh B.; Devarajegowda, H. C.; Al-eryani, Waleed Fadl Ali; Lavanya, K.; Anbazhagan, S.","(<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3474","","10.1107/S1600536811049294","","","0.71073","MoKα","","0.0733","0.0415","","","0.0641","0.0737","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232732","7.187","0.0014","7.58","0.0015","12.012","0.002","80.24","0.03","84.9","0.03","79.74","0.03","633.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-6-chloroindoline-2,3-dione","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C30 H20 Cl2 N2 O4 -","2","1","HB6512","Liu, Hua-quan; Fan, Dong-mei; Wang, De-cai; Ou-yang, Ping-Kai","1-Benzyl-6-chloroindoline-2,3-dione","Acta Crystallographica Section E","2011","67","12","o3427","","10.1107/S1600536811048665","","","0.71073","MoKα","","0.0576","0.0449","","","0.1446","0.1546","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232733","7.658","0.002","7.736","0.002","31.462","0.009","95.414","0.008","93.595","0.013","95.536","0.009","1842.1","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-[(4-chlorophenoxy)methyl]-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate","","- C19 H15 Cl N2 O5 S -","- C19 H15 Cl N2 O5 S -","- C76 H60 Cl4 N8 O20 S4 -","4","2","HB6513","Deng, Zhi-Rong; Wang, Shu-Qing; Dong, Wei-Li; Wang, Run-Ling","Ethyl 4-[(4-chlorophenoxy)methyl]-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate","Acta Crystallographica Section E","2011","67","12","o3433","","10.1107/S1600536811049774","","","0.71073","MoKα","","0.084","0.0582","","","0.1243","0.1379","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232734","9.0661","0.0009","8.0357","0.0009","24.697","0.003","90","","95.651","0.002","90","","1790.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(2-cyanobenzyl)imidazolium bromide","","- C19 H15 Br N4 -","- C19 H15 Br N4 -","- C76 H60 Br4 N16 -","4","1","HB6514","Haque, Rosenani A.; Ahmed, Safaa A.; Zetty, Zulikha H.; Hemamalini, Madhukar; Fun, Hoong-Kun","1,3-Bis(2-cyanobenzyl)imidazolium bromide","Acta Crystallographica Section E","2011","67","12","o3462","","10.1107/S1600536811048951","","","0.71073","MoKα","","0.094","0.0494","","","0.1268","0.1492","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232735","9.0508","0.0001","7.0846","0.0001","23.3337","0.0003","90","","102.509","0.001","90","","1460.67","0.03","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dichlorophenyl)-2-oxoethyl 4-methoxybenzoate","","- C16 H12 Cl2 O4 -","- C16 H12 Cl2 O4 -","- C64 H48 Cl8 O16 -","4","1","HB6515","Fun, Hoong-Kun; Chia, Tze Shyang; Shenvi, Seema; Isloor, Arun M.; Garudachari, B.","2-(2,4-Dichlorophenyl)-2-oxoethyl 4-methoxybenzoate","Acta Crystallographica Section E","2011","67","12","o3379","","10.1107/S1600536811048720","","","0.71073","MoKα","","0.0571","0.0389","","","0.0883","0.0972","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232736","8.127","0.0001","9.4681","0.0001","22.3297","0.0003","90","","90","","90","","1718.21","0.04","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2,4-bis(4-fluorophenyl)-6-methoxybenzoate","Methyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C84 H64 F8 O12 -","4","1","HB6516","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","Methyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","Acta Crystallographica Section E","2011","67","12","o3390","","10.1107/S1600536811048719","","","0.71073","MoKα","","0.059","0.0475","","","0.0959","0.102","","","","","","1.127","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232737","5.012","0.001","19.764","0.004","10.802","0.002","90","","101.42","0.03","90","","1048.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Fluoro-6-[(<i>E</i>)-(pyridin-2-yl)iminomethyl]phenol","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","HB6518","Fang, Rui-Qin; Song, Tao; Shi, Min-Min","2-Fluoro-6-[(<i>E</i>)-(pyridin-2-yl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","12","o3403","","10.1107/S1600536811048963","","","0.71073","MoKα","","0.1623","0.0689","","","0.1349","0.177","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232738","8.8863","0.0018","14.116","0.003","14.251","0.003","87.92","0.03","71.88","0.03","75.2","0.03","1640.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Octakis(3-methylanilinium) hexachloridocadmate tetrachloride","","- C56 H80 Cd Cl10 N8 -","- C56 H80 Cd Cl10 N8 -","- C56 H80 Cd Cl10 N8 -","1","0.5","HB6519","Liu, Ming-Liang","Octakis(3-methylanilinium) hexachloridocadmate tetrachloride","Acta Crystallographica Section E","2011","67","12","m1827","","10.1107/S1600536811049464","","","0.71073","MoKα","","0.0892","0.0532","","","0.1261","0.1436","","","","","","0.905","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232739","9.018","0.002","19.026","0.004","10.193","0.002","90","","106.441","0.003","90","","1677.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-hydroxy-1,1-dioxo-2-(2-phenylethyl)-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxylate","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C72 H68 N4 O20 S4 -","4","1","HB6520","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Danish, Muhammad; Holman, K. Travis","Methyl 4-hydroxy-1,1-dioxo-2-(2-phenylethyl)-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2011","67","12","o3445","","10.1107/S160053681104966X","","","0.71073","MoKα","","0.0885","0.0494","","","0.1009","0.1162","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232740","15.732","0.003","9.189","0.0018","10.414","0.002","90","","97.24","0.03","90","","1493.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-[(<i>E</i>)-(2-hydroxybenzylidene)amino]piperidine-1-carboxylate","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","HB6521","Fang, Rui-Qin; Shan, Zhi-Li; Guo, Xing","Ethyl 4-[(<i>E</i>)-(2-hydroxybenzylidene)amino]piperidine-1-carboxylate","Acta Crystallographica Section E","2011","67","12","o3448","","10.1107/S1600536811049750","","","0.71073","MoKα","","0.1115","0.0647","","","0.1471","0.1737","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232741","7.889","0.004","10.519","0.003","18.712","0.002","90","","97.69","0.03","90","","1538.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium","","- C14 H12 Br2 Cd N2 -","- C14 H12 Br2 Cd N2 -","- C56 H48 Br8 Cd4 N8 -","4","1","HB6522","Warad, Ismail; Boshaala, Ahmed; Al-Resayes, Saud I.; Al-Deyab, Salem S.; Rzaigui, Mohamed","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium","Acta Crystallographica Section E","2011","67","12","m1846","m1847","10.1107/S1600536811050069","","","0.56087","AgKα","","0.1791","0.0628","","","0.1388","0.1767","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232742","9.9591","0.0008","10.0655","0.0011","13.989","0.0012","69.385","0.001","72.225","0.001","75.038","0.002","1231.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-5-methylthiophene-2-carboxylato- κ^2^<i>O</i>:<i>O</i>']","","- C9 H14 O2 S Sn -","- C9 H14 O2 S Sn -","- C36 H56 O8 S4 Sn4 -","4","2","HB6523","Zhu, Qi; Zhang, Rufen","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-5-methylthiophene-2-carboxylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","12","m1834","","10.1107/S1600536811049713","","","0.71073","MoKα","","0.1292","0.0843","","","0.2065","0.2419","","","","","","0.972","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232743","7.9801","0.0003","9.2234","0.0004","10.9682","0.0005","99.049","0.001","90.288","0.001","93.945","0.001","795.26","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methoxybenzenesulfonate","","- C17 H14 O6 S -","- C17 H14 O6 S -","- C34 H28 O12 S2 -","2","1","HB6524","Sinha, Suman; Osman, Hasnah; Wahab, Habibah A.; Hemamalini, Madhukar; Fun, Hoong-Kun","4-Methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methoxybenzenesulfonate","Acta Crystallographica Section E","2011","67","12","o3457","","10.1107/S1600536811049476","","","0.71073","MoKα","","0.0564","0.0406","","","0.1165","0.1305","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232744","12.138","0.002","8.058","0.0016","29.32","0.003","90","","90","","90","","2867.7","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Methoxybenzylidene)-4-methylbenzohydrazide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","HB6527","Liu, Zeng-Xin","<i>N</i>'-(4-Methoxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","12","o3438","","10.1107/S1600536811049932","","","0.71073","MoKα","","0.1865","0.0823","","","0.1668","0.2118","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232745","11.042","0.002","13.588","0.003","8.7936","0.0015","90","","94.406","0.002","90","","1315.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(2-Hydroxybenzylidene)-3-methylbenzohydrazide","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","HB6528","Liu, Zeng-Xin","<i>N</i>'-(2-Hydroxybenzylidene)-3-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","12","o3439","","10.1107/S1600536811049944","","","0.71073","MoKα","","0.1114","0.0618","","","0.1572","0.1861","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232746","7.1383","0.0001","9.3928","0.0001","28.42","0.0004","90","","96.864","0.001","90","","1891.86","0.04","100","1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-(3-Phenyl-1<i>H</i>-pyrazol-4- yl)methylidene]naphtho[2,1-<i>b</i>]furan-2-carbohydrazide monohydrate","","- C23 H18 N4 O3 -","- C23 H18 N4 O3 -","- C92 H72 N16 O12 -","4","1","HB6529","Fun, Hoong-Kun; Loh, Wan-Sin; Malladi, Shridhar; Ganesh, B. M.; Isloor, Arun M.","<i>N</i>'-[(<i>E</i>)-(3-Phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]naphtho[2,1-<i>b</i>]furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2011","67","12","o3471","o3472","10.1107/S1600536811050239","","","0.71073","MoKα","","0.0829","0.0513","","","0.1127","0.1287","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232747","33.3187","0.0007","8.6628","0.0002","13.1811","0.0002","90","","90","","90","","3804.5","0.13","100","0.1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,3-Diaminopyridinium 3-chlorobenzoate‒3-chlorobenzoic acid (1/1)","","- C19 H17 Cl2 N3 O4 -","- C19 H17 Cl2 N3 O4 -","- C152 H136 Cl16 N24 O32 -","8","1","HB6530","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium 3-chlorobenzoate‒3-chlorobenzoic acid (1/1)","Acta Crystallographica Section E","2011","67","12","o3498","","10.1107/S1600536811050422","","","0.71073","MoKα","","0.1038","0.0617","","","0.1287","0.1487","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232748","14.0961","0.0004","14.0961","0.0004","7.5236","0.0004","90","","90","","90","","1494.94","0.1","294","2","294","2","","","","","","","","5","P 4/n :2","-P 4a","85","","Bromidotetrakis(1<i>H</i>-2-ethyl-5-methylimidazole-κ<i>N</i>^3^)copper(II) bromide","","- C24 H40 Br2 Cu N8 -","- C24 H40 Br2 Cu N8 -","- C48 H80 Br4 Cu2 N16 -","2","0.25","HB6533","Godlewska, Sylwia; Baranowska, Katarzyna; Socha, Joanna; Dołega, Anna","Bromidotetrakis(1<i>H</i>-2-ethyl-5-methylimidazole-κ<i>N</i>^3^)copper(II) bromide","Acta Crystallographica Section E","2011","67","12","m1906","","10.1107/S1600536811051117","","","0.71073","MoKα","","0.0501","0.0273","","","0.0703","0.0761","","","","","","0.953","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232749","12.0722","0.0009","12.718","0.0009","11.7739","0.0008","90","","118.698","0.001","90","","1585.6","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-5-(4-methoxyphenyl)-1<i>H</i>-pyrazole-4-carboxylic acid","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","HB6534","Fun, Hoong-Kun; Quah, Ching Kheng; Chandrakantha, B.; Isloor, A. M.; Shetty, Prakash","1-Cyclohexyl-5-(4-methoxyphenyl)-1<i>H</i>-pyrazole-4-carboxylic acid","Acta Crystallographica Section E","2011","67","12","o3513","","10.1107/S1600536811050872","","","0.71073","MoKα","","0.1008","0.0562","","","0.1319","0.1588","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232750","9.6902","0.0006","20.3345","0.0012","12.9556","0.0008","90","","110.636","0.001","90","","2389","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-(3-Bromo-4-methoxyphenyl)-1-(4,4''-difluoro-5'-methoxy- 1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","","- C29 H21 Br F2 O3 -","- C29 H21 Br F2 O3 -","- C116 H84 Br4 F8 O12 -","4","1","HB6536","Fun, Hoong-Kun; Shahani, Tara; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-(3-Bromo-4-methoxyphenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3514","","10.1107/S1600536811050884","","","0.71073","MoKα","","0.0755","0.0557","","","0.1662","0.1826","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232751","6.957","0.0018","15.646","0.002","7.947","0.0013","90","","109.336","0.005","90","","816.2","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Bromo-2-[(<i>E</i>)-2-nitroethenyl]benzene","","- C8 H6 Br N O2 -","- C8 H6 Br N O2 -","- C32 H24 Br4 N4 O8 -","4","1","HB6539","Zhao, Pei-Hua; Feng, Zhan-Heng; Zhang, Mei; Liu, Ya-Qing; Zhao, Gui-Zhe","1-Bromo-2-[(<i>E</i>)-2-nitroethenyl]benzene","Acta Crystallographica Section E","2011","67","12","o3505","","10.1107/S1600536811050963","","","0.71073","MoKα","","0.0303","0.0236","","","0.0552","0.0561","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232752","11.1919","0.0003","11.7913","0.0003","12.2774","0.0003","90.255","0.002","105.05","0.002","102.6","0.002","1523.75","0.07","120","","120","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraethylpyridine-2,6-dicarboxamide","","- C15 H23 N3 O2 -","- C15 H23 N3 O2 -","- C60 H92 N12 O8 -","4","2","HG5112","Pojarová, Michaela; Dušek, Michal; Makrlík, Emanuel; Babain, Vasily A.","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraethylpyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2011","67","12","o3197","","10.1107/S1600536811045727","","","1.5418","CuKα","","0.035","0.0326","","","0.087","0.0893","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232753","9.4654","0.0002","9.6683","0.0002","31.1553","0.0005","90","","90.366","0.001","90","","2851.1","0.1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-dimethylpyrimidin-1-ium 2,3,5-triiodobenzoate 2,3,5-triiodobenzoic acid monosolvate","","- C20 H15 I6 N3 O4 -","- C20 H15 I6 N3 O4 -","- C80 H60 I24 N12 O16 -","4","1","HG5115","Malathy, Sevaiyan; Muthiah, Packianathan Thomas","2-Amino-4,6-dimethylpyrimidin-1-ium 2,3,5-triiodobenzoate 2,3,5-triiodobenzoic acid monosolvate","Acta Crystallographica Section E","2011","67","12","o3241","o3242","10.1107/S160053681104534X","","","0.71073","MoKα","","0.0832","0.0509","","","0.0971","0.1097","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232754","10.882","0.001","6.6015","0.0009","11.656","0.001","90","","102.53","0.02","90","","817.39","0.16","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4a<i>S</i>,4b<i>R</i>,7<i>R</i>,10a<i>S</i>)-3,7-Dimethyl- 10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","HG5119","Caracelli, Ignez; Zukerman-Schpector, Julio; Machado, André T. Lousada; Brocksom, Timothy J.; Ferreira, M. Lúcia; Tiekink, Edward R. T.","(4a<i>S</i>,4b<i>R</i>,7<i>R</i>,10a<i>S</i>)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthrene-1,4-dione","Acta Crystallographica Section E","2011","67","12","o3192","","10.1107/S160053681104517X","","","0.71073","MoKα","","0.137","0.0369","","","0.093","0.1222","","","","","","0.978","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232755","10.8215","0.0008","10.2355","0.0008","21.551","0.0016","90","","90.068","0.001","90","","2387.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Bis(quinolin-8-yl)-2,2'-[(1,3,4-thiadiazole- 2,5-diyl)bis(sulfanediyl)]diacetamide monohydrate","","- C24 H20 N6 O3 S3 -","- C24 H20 N6 O3 S3 -","- C96 H80 N24 O12 S12 -","4","1","HG5124","Li, Xiao-Feng; An, Yan; Huang, Qing-Hua; Wen, Yong-Hong","<i>N</i>,<i>N</i>-Bis(quinolin-8-yl)-2,2'-[(1,3,4-thiadiazole-2,5-diyl)bis(sulfanediyl)]diacetamide monohydrate","Acta Crystallographica Section E","2011","67","12","o3291","","10.1107/S1600536811047222","","","0.71073","MoKα","","0.0615","0.044","","","0.0998","0.1092","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232756","5.8368","0.0002","8.3438","0.0003","27.9684","0.0008","90","","95.177","0.001","90","","1356.54","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-2-oxoethyl 4-methylbenzoate","","- C16 H13 Br O3 -","- C16 H13 Br O3 -","- C64 H52 Br4 O12 -","4","1","HG5125","Fun, Hoong-Kun; Shahani, Tara; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 4-methylbenzoate","Acta Crystallographica Section E","2011","67","12","o3154","","10.1107/S1600536811045272","","","0.71073","MoKα","","0.0361","0.0281","","","0.0693","0.0736","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232757","9.881","0.003","9.904","0.003","11.333","0.004","108.642","0.001","102","0.004","107.346","0.003","945","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","4-(4-Bromophenyl)-3-methyl-1-phenyl-6,7-dihydro-1<i>H</i>- pyrazolo[3,4-<i>b</i>]thieno[2,3-<i>e</i>]pyridine 5,5-dioxide","","- C21 H16 Br N3 O2 S -","- C21 H16 Br N3 O2 S -","- C42 H32 Br2 N6 O4 S2 -","2","1","HG5128","Li, Tuanjie; Zhang, Honghong","4-(4-Bromophenyl)-3-methyl-1-phenyl-6,7-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]thieno[2,3-<i>e</i>]pyridine 5,5-dioxide","Acta Crystallographica Section E","2011","67","12","o3166","","10.1107/S1600536811045697","","","0.71073","MoKα","","0.0557","0.0364","","","0.0918","0.0961","","","","","","0.983","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232758","12.2252","0.0003","17.2508","0.0004","16.7784","0.0003","90","","132.549","0.001","90","","2606.79","0.11","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2-Benzylphenyl)propan-2-ol","","- C16 H18 O -","- C16 H18 O -","- C128 H144 O8 -","8","2","HG5130","Betz, Richard; Gerber, Thomas; Hosten, Eric; Siddaraju, B. P.; Yathirajan, Hemmige S.; Ramesha, A. R.","2-(2-Benzylphenyl)propan-2-ol","Acta Crystallographica Section E","2011","67","12","o3302","","10.1107/S1600536811047143","","","0.71073","MoKα","","0.0691","0.0533","","","0.1328","0.1476","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232759","10.2871","0.0011","11.1375","0.0012","11.5877","0.0013","115.511","0.002","90.075","0.002","97.347","0.002","1186","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","7'-(4-Bromophenyl)-5',6',7',7a'-tetrahydrodispiro[indan-2,5'- pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione","","- C28 H20 Br N O3 S -","- C28 H20 Br N O3 S -","- C56 H40 Br2 N2 O6 S2 -","2","1","HG5131","Wei, Ang Chee; Ali, Mohamed Ashraf; Yoon, Yeong Keng; Quah, Ching Kheng; Fun, Hoong-Kun","7'-(4-Bromophenyl)-5',6',7',7a'-tetrahydrodispiro[indan-2,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2011","67","12","o3274","","10.1107/S1600536811046514","","","0.71073","MoKα","","0.0714","0.0444","","","0.1179","0.1355","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232760","11.2122","0.0014","13.4644","0.0017","14.1451","0.0018","90","","111.906","0.002","90","","1981.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[bis(methanol-κ<i>O</i>)lead(II)]-μ- <i>N</i>'-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]isonicotinohydrazidato- κ^3^<i>N</i>',<i>O</i>:<i>N</i>^1^] perchlorate]","","- C15 H19 Cl N4 O7 Pb -","- C15 H19 Cl N4 O7 Pb -","- C60 H76 Cl4 N16 O28 Pb4 -","4","1","HG5133","Shahverdizadeh, Gholam Hossein; Tiekink, Edward R. T.; Mirtamizdoust, Babak","<i>catena</i>-Poly[[[bis(methanol-κ<i>O</i>)lead(II)]-μ-<i>N</i>'-[1-(pyridin-2-yl-κ<i>N</i>)ethylidene]isonicotinohydrazidato-κ^3^<i>N</i>',<i>O</i>:<i>N</i>^1^] perchlorate]","Acta Crystallographica Section E","2011","67","12","m1729","m1730","10.1107/S1600536811046769","","","0.71073","MoKα","","0.0378","0.0237","","","0.0591","0.0656","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232761","9.0463","0.0001","17.6687","0.0002","19.6178","0.0002","90","","90","","90","","3135.64","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,3<i>S</i>)-<i>N</i>-Benzhydryl-2-benzyl-6,7-dimethoxy-1-phenyl- 1,2,3,4-tetrahydroisoquinoline-3-carbothioamide","","- C38 H36 N2 O2 S -","- C38 H36 N2 O2 S -","- C152 H144 N8 O8 S4 -","4","1","HG5134","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrick. G.; Maguire, Glenn E. M.","(1<i>R</i>,3<i>S</i>)-<i>N</i>-Benzhydryl-2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carbothioamide","Acta Crystallographica Section E","2011","67","12","o3441","","10.1107/S1600536811049324","","","0.71073","MoKα","","0.04","0.0331","","","0.0873","0.09","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232762","13.8526","0.0007","13.9033","0.0007","23.7333","0.0011","102.231","0.001","90.865","0.001","94.9","0.001","4448.3","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","4,5,6,10,11,12,16,17,18,22,23,24-Dodecakis[(methoxycarbonyl)methoxy]- 2,8,14,20-tetrapentylresorcin[4]arene","","- C84 H112 O36 -","- C84 H112 O36 -","- C168 H224 O72 -","2","1","HG5135","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","4,5,6,10,11,12,16,17,18,22,23,24-Dodecakis[(methoxycarbonyl)methoxy]-2,8,14,20-tetrapentylresorcin[4]arene","Acta Crystallographica Section E","2011","67","12","o3305","o3306","10.1107/S1600536811047180","","","0.71073","MoKα","","0.1082","0.073","","","0.2166","0.251","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232763","17.5495","0.0006","9.4617","0.0003","19.0569","0.0006","90","","107.298","0.004","90","","3021.24","0.18","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[3-({(<i>E</i>)-2-[(4-Fluorophenyl)carbamothioyl]hydrazinylidene}methyl)-4- hydroxybenzyl]methyltriphenylphosphonium chloride","","- C33 H28 Cl F N3 O P S -","- C33 H28 Cl F N3 O P S -","- C132 H112 Cl4 F4 N12 O4 P4 S4 -","4","1","HG5137","Sinniah, Saravana Kumar; Tan, Kong Wai; Sim, Kae Shin; Ng, Seik Weng; Tiekink, Edward R. T.","[3-({(<i>E</i>)-2-[(4-Fluorophenyl)carbamothioyl]hydrazinylidene}methyl)-4-hydroxybenzyl]methyltriphenylphosphonium chloride","Acta Crystallographica Section E","2011","67","12","o3330","o3331","10.1107/S1600536811047945","","","0.71073","MoKα","","0.0876","0.0544","","","0.1252","0.1537","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232764","12.9259","0.0003","15.7098","0.0003","9.1007","0.0002","90","","107.578","0.001","90","","1761.73","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzyl-<i>P</i>-(2-ethylphenyl)-<i>P</i>-phenylphosphinic amide","","- C21 H22 N O P -","- C21 H22 N O P -","- C84 H88 N4 O4 P4 -","4","1","HG5139","Kinfe, Henok H.; Hamese, Augustine; Hughes, Tanya; Omondi, Bernard","<i>N</i>-Benzyl-<i>P</i>-(2-ethylphenyl)-<i>P</i>-phenylphosphinic amide","Acta Crystallographica Section E","2011","67","12","o3392","","10.1107/S1600536811049014","","","1.54178","CuKα","","0.0459","0.0441","","","0.1168","0.1183","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232765","7.7095","0.0003","9.6609","0.0004","14.7464","0.0007","90","","98.061","0.004","90","","1087.47","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-Bromoacetyl)ferrocene","","- C12 H11 Br Fe O -","- C12 H11 Br Fe O -","- C48 H44 Br4 Fe4 O4 -","4","1","HG5144","Wu, Xiang-Xiang; Zhu, Xin; Ma, Qiu-Juan; Ng, Seik Weng; Tiekink, Edward R. T.","(2-Bromoacetyl)ferrocene","Acta Crystallographica Section E","2011","67","12","m1875","","10.1107/S1600536811050434","","","0.71073","MoKα","","0.0497","0.0348","","","0.07","0.0786","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232766","14.5219","0.0005","4.7949","0.0002","18.5368","0.0006","90","","90","","90","","1290.74","0.08","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate","","- C10 H8 Cl N3 O7 -","- C10 H8 Cl N3 O7 -","- C40 H32 Cl4 N12 O28 -","4","1","HG5145","Wu, Xiang-Xiang; Wu, Xue-Fen; Hou, Yi-Min; Ng, Seik Weng; Tiekink, Edward R. T.","Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate","Acta Crystallographica Section E","2011","67","12","o3486","","10.1107/S1600536811050446","","","0.71073","MoKα","","0.0349","0.0294","","","0.071","0.0738","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232767","9.0916","0.0005","10.7714","0.0006","12.9736","0.0007","93.119","0.001","96.416","0.001","108.84","0.001","1189.35","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Poly[[tetraaqua(μ~4~-imidazole-4,5-dicarboxylato)(μ~3~-imidazole-4,5- dicarboxylato)-μ~3~-sulfato-μ~2~-sulfato-cobalt(II)digadolinium(III)] monohydrate]","","- C10 H14 Co Gd2 N4 O21 S2 -","- C10 H14 Co Gd2 N4 O21 S2 -","- C20 H28 Co2 Gd4 N8 O42 S4 -","2","1","HP2018","Zhu, Li-Cai","Poly[[tetraaqua(μ~4~-imidazole-4,5-dicarboxylato)(μ~3~-imidazole-4,5-dicarboxylato)-μ~3~-sulfato-μ~2~-sulfato-cobalt(II)digadolinium(III)] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1741","m1742","10.1107/S160053681104726X","","","0.71073","MoKα","","0.026","0.0223","","","0.0526","0.0544","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232768","5.2871","0.0003","5.2871","0.0003","11.5729","0.0007","90","","90","","90","","323.5","0.03","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","sodium neodymium(III) molybdate(VI)","sodium neodymium(III) <i>ortho</i>-oxidomolybdate(vi)","","- Mo2 Na Nd O8 -","- Mo2 Na Nd O8 -","- Mo4 Na2 Nd2 O16 -","2","0.125","HP2019","Schleid, Thomas; Hartenbach, Ingo","Scheelite-type sodium neodymium(III) <i>ortho</i>-oxidomolybdate(VI), NaNd[MoO~4~]~2~","Acta Crystallographica Section E","2011","67","12","i71","","10.1107/S1600536811046976","","","0.71069","MoKα","","0.0343","0.0201","","","0.0389","0.0444","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232769","7.5222","0.0005","10.5307","0.0011","5.5378","0.0004","90","","90","","90","","438.67","0.06","100","2","100","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","<i>catena</i>-Poly[[diacetonitrilecopper(I)]-μ-dicyanamido]","","- C6 H6 Cu N5 -","- C6 H6 Cu N5 -","- C12 H12 Cu2 N10 -","2","0.25","HP2020","Oelkers, Benjamin; Stricker, Marion; Sundermeyer, Jörg","<i>catena</i>-Poly[[diacetonitrilecopper(I)]-μ-dicyanamido]","Acta Crystallographica Section E","2011","67","12","m1784","","10.1107/S1600536811047052","","","0.71073","MoKα","","0.0326","0.032","","","0.0656","0.066","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232770","13.583","0.003","9.2334","0.0018","14.981","0.003","90","","101.83","0.03","90","","1839","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>,<i>N</i>'- dipropylethane-1,2-diaminium tetrachloridocobaltate(II)","","- C12 H30 Cl4 Co N2 -","- C12 H30 Cl4 Co N2 -","- C48 H120 Cl16 Co4 N8 -","4","0.5","HP2021","Närhi, Sari M.; Kostamo, Jatta; Asikkala, Janne; Oilunkaniemi, Raija; Laitinen, Risto S.","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>,<i>N</i>'-dipropylethane-1,2-diaminium tetrachloridocobaltate(II)","Acta Crystallographica Section E","2011","67","12","m1887","","10.1107/S1600536811050744","","","0.71073","MoKα","","0.0471","0.0405","","","0.103","0.1067","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232771","7.5476","0.0002","19.5528","0.0004","19.2752","0.0004","90","","110.431","0.002","90","","2665.63","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis[1-(3-carboxyphenyl)-4,4'-bipyridin-1-ium-κ<i>N</i>^1'^]zinc bis(4,5-carboxybenzene-1,2-dicarboxylate) 2.5-hydrate","","- C54 H47 N4 O26.5 Zn -","- C54 H47 N4 O26.5 Zn -","- C108 H94 N8 O53 Zn2 -","2","0.5","HY2468","Zhang, Jie; Tan, Yi; Fu, Zhiyong","Tetraaquabis[1-(3-carboxyphenyl)-4,4'-bipyridin-1-ium-κ<i>N</i>^1'^]zinc bis(4,5-carboxybenzene-1,2-dicarboxylate) 2.5-hydrate","Acta Crystallographica Section E","2011","67","12","m1701","m1702","10.1107/S1600536811045156","","","0.71073","MoKα","","0.0376","0.0308","","","0.0735","0.0778","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232772","22.5676","0.0019","22.033","0.0018","11.0614","0.0009","90","","90","","90","","5500.1","0.8","292","2","292","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[1,1'-Bis(diphenylphosphanyl)cobaltocenium]carbonylchloridohydrido (triphenylphosphane)ruthenium(II) hexafluoridophosphate dichloromethane disolvate","","- C55 H48 Cl5 Co F6 O P4 Ru -","- C55 H48 Cl5 Co F6 O P4 Ru -","- C220 H192 Cl20 Co4 F24 O4 P16 Ru4 -","4","1","HY2477","Hou, Jian-Guo","[1,1'-Bis(diphenylphosphanyl)cobaltocenium]carbonylchloridohydrido(triphenylphosphane)ruthenium(II) hexafluoridophosphate dichloromethane disolvate","Acta Crystallographica Section E","2011","67","12","m1671","m1672","10.1107/S1600536811044035","","","0.71073","MoKα","","0.0549","0.0478","","","0.108","0.1131","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232773","13.0463","0.0006","13.1785","0.0005","13.4093","0.0004","82.688","0.002","72.147","0.002","67.402","0.002","2025.85","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) dinitrate tetrahydrate","","- C36 H32 N8 Ni O10 -","- C36 H32 N8 Ni O10 -","- C72 H64 N16 Ni2 O20 -","2","1","HY2480","Tabatabaee, Masoumeh; Zaji, Nikoo; Parvez, Masood","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) dinitrate tetrahydrate","Acta Crystallographica Section E","2011","67","12","m1794","m1795","10.1107/S160053681104880X","","","0.71073","MoKα","","0.0685","0.0572","","","0.1509","0.1595","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232774","19.347","0.01","7.105","0.003","12.379","0.006","90","","103.02","0.009","90","","1657.9","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis{3-carboxy-5-[(4-carboxyphenyl)diazenyl]benzoato- κ<i>O</i>^1^}cobalt(II) dihydrate","","- C30 H30 Co N4 O18 -","- C30 H30 Co N4 O18 -","- C60 H60 Co2 N8 O36 -","2","0.5","HY2481","Bai, Liang; Zhao, Jun","Tetraaquabis{3-carboxy-5-[(4-carboxyphenyl)diazenyl]benzoato-κ<i>O</i>^1^}cobalt(II) dihydrate","Acta Crystallographica Section E","2011","67","12","m1689","","10.1107/S1600536811045557","","","0.71073","MoKα","","0.0418","0.0375","","","0.102","0.1054","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232775","11.3502","0.0016","11.3502","0.0016","8.9142","0.0018","90","","90","","90","","1148.4","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Poly[tetraaquadi-μ~4~-oxalato-potassiumytterbium(III)]","","- C4 H8 K O12 Yb -","- C4 H8 K O12 Yb -","- C16 H32 K4 O48 Yb4 -","4","0.25","HY2482","Zhang, Feng-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Guang-Ming","Poly[tetraaquadi-μ~4~-oxalato-potassiumytterbium(III)]","Acta Crystallographica Section E","2011","67","12","m1719","","10.1107/S1600536811046022","","","0.71073","MoKα","","0.0197","0.0166","","","0.0377","0.039","","","","","","0.94","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232776","8.5664","0.0017","9.928","0.002","12.496","0.003","81.47","0.03","71.55","0.03","78.78","0.03","984.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethylidene)benzene-1,4- diamine]zinc dinitrate 1.49-hydrate","","- C36 H38.98 N10 O11.49 Zn -","- C36 H38.976 N10 O11.488 Zn -","- C36 H38.976 N10 O11.488 Zn -","1","0.5","HY2483","Kong, Li; Yu, Haihui; Zhang, Jibo; Cui, Weiyi","Tetraaquabis[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethylidene)benzene-1,4-diamine]zinc dinitrate 1.49-hydrate","Acta Crystallographica Section E","2011","67","12","m1752","","10.1107/S1600536811046915","","","0.71073","MoKα","","0.0523","0.0458","","","0.1308","0.1408","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232777","14.8307","0.0002","12.1463","0.0002","19.8806","0.0003","90","","90","","90","","3581.25","0.09","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(μ-pyrazine-2,3-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')(trimethylphosphane- 1κ<i>P</i>)diiron(I)(<i>Fe</i>—<i>Fe</i>)","","- C12 H11 Fe2 N2 O5 P S2 -","- C12 H11 Fe2 N2 O5 P S2 -","- C96 H88 Fe16 N16 O40 P8 S16 -","8","1","HY2484","Gao, Shang; An, Chun-Ai; Duan, Qian; Jiang, Da-Yong","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(μ-pyrazine-2,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')(trimethylphosphane-1κ<i>P</i>)diiron(I)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2011","67","12","m1750","","10.1107/S1600536811046770","","","0.71073","MoKα","","0.057","0.0336","","","0.064","0.0702","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232778","8.9318","0.0018","15.347","0.003","16.84","0.003","90","","92.62","0.03","90","","2306","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-[(Biphenyl-4,4'-diyl)bis(methylene)]di-1<i>H</i>-imidazol-3-ium tetrachloridomercurate(II)","","- C20 H20 Cl4 Hg N4 -","- C20 H20 Cl4 Hg N4 -","- C80 H80 Cl16 Hg4 N16 -","4","1","HY2485","Wen, Bo; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","1,1'-[(Biphenyl-4,4'-diyl)bis(methylene)]di-1<i>H</i>-imidazol-3-ium tetrachloridomercurate(II)","Acta Crystallographica Section E","2011","67","12","m1756","","10.1107/S1600536811047374","","","0.71073","MoKα","","0.0521","0.0322","","","0.0618","0.0682","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232779","7.954","0.0003","13.2187","0.0003","15.1475","0.0003","90","","90","","90","","1592.63","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Poly[di-μ~2~-aqua-μ~5~-(pyridine-2,6-dicarboxylato)-μ~3~-(pyridine- 2,6-dicarboxylato)-cobalt(II)disodium]","","- C14 H10 Co N2 Na2 O10 -","- C14 H10 Co N2 Na2 O10 -","- C56 H40 Co4 N8 Na8 O40 -","4","1","HY2486","Boyko, Alexander N.; Golenya, Irina A.; Izotova, Yulia A.; Haukka, Matti; Prisyazhnaya, Elena V.","Poly[di-μ~2~-aqua-μ~5~-(pyridine-2,6-dicarboxylato)-μ~3~-(pyridine-2,6-dicarboxylato)-cobalt(II)disodium]","Acta Crystallographica Section E","2011","67","12","m1782","m1783","10.1107/S1600536811048252","","","0.71073","MoKα","","0.027","0.0227","","","0.0523","0.054","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232780","8.399","0.0015","10.0022","0.0018","13.613","0.002","90.692","0.004","103.619","0.004","98.556","0.004","1097.8","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Aquabromidobis(di-2-pyridylamine- κ^2^<i>N</i>,<i>N</i>')manganese(II) bromide","","- C20 H20 Br2 Mn N6 O -","- C20 H20 Br2 Mn N6 O -","- C40 H40 Br4 Mn2 N12 O2 -","2","1","HY2487","Ha, Kwang","<i>cis</i>-Aquabromidobis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')manganese(II) bromide","Acta Crystallographica Section E","2011","67","12","m1773","","10.1107/S1600536811048100","","","0.71073","MoKα","","0.0962","0.0568","","","0.138","0.174","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232781","15.3065","0.0011","5.6605","0.0004","27.536","0.002","90","","95.613","0.001","90","","2374.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis[3-(1<i>H</i>-imidazol-1-yl)-1-phenylpropan-1-one- κ<i>N</i>^3^]nickel(II)]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C26 H24 N4 Ni O6 -","- C26 H24 N4 Ni O6 -","- C104 H96 N16 Ni4 O24 -","4","0.5","HY2488","Guo, Jian-Hua","<i>catena</i>-Poly[[bis[3-(1<i>H</i>-imidazol-1-yl)-1-phenylpropan-1-one-κ<i>N</i>^3^]nickel(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2011","67","12","m1832","","10.1107/S1600536811049646","","","0.71073","MoKα","","0.0614","0.045","","","0.0879","0.0956","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232782","8.1627","0.0016","12.896","0.003","17.435","0.004","90","","96.85","0.03","90","","1822.2","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexaaquamagnesium 5-[1-(carboxylatomethyl)pyridin-1-ium-4-yl]tetrazol-2-ide chloride dihydrate","","- C8 H22 Cl Mg N5 O10 -","- C8 H22 Cl Mg N5 O10 -","- C32 H88 Cl4 Mg4 N20 O40 -","4","1","HY2489","Zhang, Yu","Hexaaquamagnesium 5-[1-(carboxylatomethyl)pyridin-1-ium-4-yl]tetrazol-2-ide chloride dihydrate","Acta Crystallographica Section E","2011","67","12","m1856","","10.1107/S160053681105032X","","","0.71073","MoKα","","0.0797","0.0613","","","0.17","0.1814","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232783","10.7447","0.0007","14.1678","0.0009","18.3858","0.0011","101.328","0.003","91.945","0.003","105.388","0.003","2635","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(1<i>R</i>*,3'<i>S</i>*,4'<i>R</i>*)-4'-(4-Chlorophenyl)-3'-[(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]-1'-methylspiro[acenaphthylene-1,2'-pyrrolidin]-2-one","","- C32 H23 Cl N2 O4 -","- C32 H23 Cl N2 O4 -","- C128 H92 Cl4 N8 O16 -","4","2","IM2325","Vennila, K. N.; Sankaran, M.; Mohan, P. S.; Velmurugan, D.","(1<i>R</i>*,3'<i>S</i>*,4'<i>R</i>*)-4'-(4-Chlorophenyl)-3'-[(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]-1'-methylspiro[acenaphthylene-1,2'-pyrrolidin]-2-one","Acta Crystallographica Section E","2011","67","12","o3376","o3377","10.1107/S1600536811048896","","","0.71073","MoKα","","0.1061","0.0468","","","0.1198","0.1513","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232784","5.8433","0.0007","8.0096","0.0008","13.8089","0.0013","74.061","0.001","84.589","0.001","87.372","0.002","618.54","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-(4-(benzyloxy)-2-hydroxyphenyl)ethanone","1-(4-Benzyloxy-2-hydroxyphenyl)ethanone","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","IM2328","Ma, Ya-Tuan; Yang, Chong-Lin; Li, Zhen-Shuo; Li, Zhong-Qiang; Ding, Juan-Ning","1-(4-Benzyloxy-2-hydroxyphenyl)ethanone","Acta Crystallographica Section E","2011","67","12","o3225","","10.1107/S160053681104637X","","","0.71073","MoKα","","0.0775","0.0454","","","0.101","0.1138","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232785","8.734","0.0017","10.251","0.002","11.39","0.002","71.29","0.03","78.38","0.03","76.75","0.03","931.1","0.4","290","1","290","1","","","","","","","","6","P -1","-P 1","2","","2-<i>n</i>-Butyl-6-chloro-1-(2,4-dimethylphenylsulfonyl)-1<i>H</i>- benzimidazole‒2-<i>n</i>-butyl-5-chloro-1-(2,4-dimethylphenylsulfonyl)- 1<i>H</i>-benzimidazole (0.759/0.241)","","- C19 H21 Cl N2 O2 S -","- C19 H21 Cl N2 O2 S -","- C38 H42 Cl2 N4 O4 S2 -","2","1","IM2330","Abdireymov, K. B.; Mukhamedov, N. S.; Okmanov, R. Ya.; Ayimbetov, M. J.; Tashkhodjaev, B.","2-<i>n</i>-Butyl-6-chloro-1-(2,4-dimethylphenylsulfonyl)-1<i>H</i>-benzimidazole‒2-<i>n</i>-butyl-5-chloro-1-(2,4-dimethylphenylsulfonyl)-1<i>H</i>-benzimidazole (0.759/0.241)","Acta Crystallographica Section E","2011","67","12","o3345","o3346","10.1107/S1600536811047957","","","1.54184","CuKα","","0.075","0.0693","","","0.1832","0.1906","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232786","11.7881","0.0003","9.0056","0.0002","16.3296","0.0004","90","","120.091","0.002","90","","1499.9","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[<i>N</i>-(<i>tert</i>-butylsulfinyl)carbamoyl]benzoate","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","IM2332","Honraedt, Aurelien; Ladeira, Sonia; Berranger, Thierry; Gras, Emmanuel","Ethyl 2-[<i>N</i>-(<i>tert</i>-butylsulfinyl)carbamoyl]benzoate","Acta Crystallographica Section E","2011","67","12","o3350","","10.1107/S1600536811047027","","","0.71073","MoKα","","0.0352","0.0293","","","0.0861","0.0881","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232787","7.1961","0.0003","9.6892","0.0004","15.6136","0.0005","84.76","0.006","83.045","0.005","88.619","0.005","1076.03","0.07","173","2","173","2","","","","","","","","6","P 1","P 1","1","","Bis[(2<i>R</i>,6<i>S</i>)-4-(5-amino-3-carboxy-1-cyclopropyl-6,8-difluoro- 4-oxo-1,4-dihydroquinolin-7-yl)-2,6-dimethylpiperazin-1-ium] sulfate pentahydrate","","- C38 H56 F4 N8 O15 S -","- C38 H56 F4 N8 O15 S -","- C38 H56 F4 N8 O15 S -","1","1","IM2333","Li, Tao; Yang, Lin; Wang, Yuan Cheng; Lian, Qiang","Bis[(2<i>R</i>,6<i>S</i>)-4-(5-amino-3-carboxy-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2,6-dimethylpiperazin-1-ium] sulfate pentahydrate","Acta Crystallographica Section E","2011","67","12","o3366","o3367","10.1107/S160053681104757X","","","0.71073","MoKα","","0.0434","0.0386","","","0.0841","0.0858","","","","","","0.97","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232788","19.5983","0.0007","9.0882","0.0002","10.0473","0.0003","90","","115.593","0.004","90","","1613.98","0.1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Dibenzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","0.5","IM2334","Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","1,3-Dibenzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","12","o3234","","10.1107/S1600536811046071","","","1.54184","CuKα","","0.0435","0.0369","","","0.0979","0.1055","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232789","8.3372","0.0005","15.8303","0.001","6.618","0.001","90","","90","","90","","873.45","0.15","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(4,6-Dimethylpyrimidin-2-yl)thiourea","","- C7 H10 N4 S -","- C7 H10 N4 S -","- C28 H40 N16 S4 -","4","1","IM2335","Saeed, Sohail; Rashid, Naghmana; Jasinski, Jerry P.; Golen, James A.","1-(4,6-Dimethylpyrimidin-2-yl)thiourea","Acta Crystallographica Section E","2011","67","12","o3347","","10.1107/S1600536811048148","","","0.71073","MoKα","","0.0718","0.0527","","","0.1341","0.1442","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232790","5.51441","0.00017","15.6507","0.0004","20.054","0.0006","71.807","0.003","86.612","0.002","80.709","0.002","1622.59","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-1-nonyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C16 H23 Cl N2 O -","- C16 H23 Cl N2 O -","- C64 H92 Cl4 N8 O4 -","4","2","IM2336","Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","5-Chloro-1-nonyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","12","o3340","o3341","10.1107/S1600536811047829","","","1.54184","CuKα","","0.0491","0.0437","","","0.1186","0.1239","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232791","9.7581","0.0002","9.8826","0.0002","8.2794","0.0001","90","","90.68","0.002","90","","798.37","0.02","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-aminothiazolium (1+) dihydrogen phosphate","2-Amino-1,3-thiazolium dihydrogen phosphate","","- C3 H7 N2 O4 P S -","- C3 H7 N2 O4 P S -","- C12 H28 N8 O16 P4 S4 -","4","1","IM2339","Matulková, Irena; Cihelka, Jaroslav; Němec, Ivan; Pojarová, Michaela; Dušek, Michal","2-Amino-1,3-thiazolium dihydrogen phosphate","Acta Crystallographica Section E","2011","67","12","o3410","o3411","10.1107/S160053681104935X","","","1.5418","CuKα","","0.0273","0.0269","","","0.0692","0.0695","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232792","8.7213","0.001","12.8689","0.0014","13.5787","0.0015","107.223","0.001","90.295","0.002","90.931","0.001","1455.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato- κ<i>O</i>]copper(II) monohydrate","","- C32 H32 Cu N4 O5 -","- C32 H32 Cu N4 O5 -","- C64 H64 Cu2 N8 O10 -","2","1","IM2340","Yin, Fu-Jun; Han, Li-Jun; Yang, Shu-Ping; Xu, Xing-You; Gu, Yu","Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-κ<i>O</i>]copper(II) monohydrate","Acta Crystallographica Section E","2011","67","12","m1821","","10.1107/S1600536811049439","","","0.71073","MoKα","","0.0766","0.0449","","","0.0889","0.1019","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232793","10.0241","0.0011","16.1355","0.0016","9.4308","0.0013","90","","92.05","0.006","90","","1524.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-brmotertiarybutylsalicylidene-2-aminopyridine","2-Bromo-4-<i>tert</i>-butyl-6-[(pyridin-2-ylimino)methyl]phenol","","- C16 H17 Br N2 O -","- C16 H17 Br N2 O -","- C64 H68 Br4 N8 O4 -","4","1","IM2341","Balasubramani, V.; Vinuchakkaravarthy, T.; Gopi, Sreeraj; Narasimhan, S.; Velmurugan, D.","2-Bromo-4-<i>tert</i>-butyl-6-[(pyridin-2-ylimino)methyl]phenol","Acta Crystallographica Section E","2011","67","12","o3483","","10.1107/S1600536811050148","","","0.71073","MoKα","","0.0441","0.0333","","","0.0757","0.0805","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232794","8.8897","0.0017","14.773","0.003","14.89","0.003","107.815","0.004","107.314","0.004","91.386","0.004","1763","0.6","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","Aqua(4-fluorobenzoato-κ<i>O</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-fluorobenzoate trihydrate","","- C38 H32 F2 Mn N4 O8 -","- C38 H32 F2 Mn N4 O8 -","- C76 H64 F4 Mn2 N8 O16 -","2","1","IS2782","Li, Yun-Xia; Zhang, Bi-Song; Wu, Chang-Sheng; Zheng, Miao; Lin, Jian-Li","Aqua(4-fluorobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-fluorobenzoate trihydrate","Acta Crystallographica Section E","2011","67","12","m1853","","10.1107/S1600536811049968","","","0.71073","MoKα","","0.1134","0.0848","","","0.1635","0.1776","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232795","24.995","0.001","10.041","0.001","16.258","0.001","90","","96.763","0.001","90","","4052","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Acetonitriletrichloridobis(cyclohexyldiphenylphosphane)rhodium(III) acetonitrile disolvate","","- C42 H51 Cl3 N3 P2 Rh -","- C42 H51 Cl3 N3 P2 Rh -","- C168 H204 Cl12 N12 P8 Rh4 -","4","0.5","IS2783","Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas","Acetonitriletrichloridobis(cyclohexyldiphenylphosphane)rhodium(III) acetonitrile disolvate","Acta Crystallographica Section E","2011","67","12","m1785","m1786","10.1107/S1600536811047477","","","0.71073","MoKα","","0.0243","0.0215","","","","0.0548","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232796","12.1675","0.0002","18.5362","0.0003","15.4084","0.0002","90","","90.448","0.001","90","","3475.09","0.09","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Tetracarbonylbis[tris(3-fluorophenyl)phosphane]chromium(0)","","- C40 H24 Cr F6 O4 P2 -","- C40 H24 Cr F6 O4 P2 -","- C160 H96 Cr4 F24 O16 P8 -","4","1","IS2790","Norlidah, M. N.; Yazid, M. Y.; bin Shawkataly, Omar; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","<i>trans</i>-Tetracarbonylbis[tris(3-fluorophenyl)phosphane]chromium(0)","Acta Crystallographica Section E","2011","67","12","m1652","m1653","10.1107/S1600536811045284","","","0.71073","MoKα","","0.0877","0.0556","","","0.1251","0.1388","","","","","","1.211","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232797","8.628","0.002","6.9795","0.0017","18.222","0.004","90","","90","","90","","1097.3","0.4","294","2","294","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(<i>Z</i>)-1-[2-(Trifluoromethyl)benzylidene]thiosemicarbazide","","- C9 H8 F3 N3 S -","- C9 H8 F3 N3 S -","- C36 H32 F12 N12 S4 -","4","0.5","IS2791","Chen, Xin; Jing, Zuo-Liang","(<i>Z</i>)-1-[2-(Trifluoromethyl)benzylidene]thiosemicarbazide","Acta Crystallographica Section E","2011","67","12","o3369","","10.1107/S1600536811047623","","","0.71073","MoKα","","0.0558","0.0362","","","0.0982","0.113","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232798","20.6446","0.0009","7.0205","0.0004","6.5523","0.0003","90","","93.083","0.003","90","","948.29","0.08","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","1,1'-{[1,4-Phenylenebis(methylene)]bis(oxy)bis(3,1-phenylene)}diethanone","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","0.25","IS2798","Al-Mohammed, Nassir N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","1,1'-{[1,4-Phenylenebis(methylene)]bis(oxy)bis(3,1-phenylene)}diethanone","Acta Crystallographica Section E","2011","67","12","o3140","","10.1107/S1600536811045041","","","0.71073","MoKα","","0.0513","0.0395","","","0.0994","0.1067","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232799","10.65","0.002","7.3924","0.0013","26.691","0.005","90","","93.463","0.005","90","","2097.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Butyl-1-methyl-1<i>H</i>-imidazol-3-ium bis(1,2-dicyanoethene-1,2-dithiolato- κ^2^<i>S</i>,<i>S</i>')nickel(III)","","- C16 H15 N6 Ni S4 -","- C16 H15 N6 Ni S4 -","- C64 H60 N24 Ni4 S16 -","4","1","IS2799","Yu, Shan-Shan","3-Butyl-1-methyl-1<i>H</i>-imidazol-3-ium bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickel(III)","Acta Crystallographica Section E","2011","67","12","m1726","","10.1107/S1600536811046824","","","0.7107","MoKα","","0.0637","0.0502","","","0.0942","0.0993","","","","","","1.156","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232800","8.8859","0.0018","14.36","0.003","25.121","0.005","90","","90","","90","","3205.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>^4^,<i>N</i>^6^-Dimethyl-<i>N</i>^4^,<i>N</i>^6^- diphenylpyrimidine-4,5,6-triamine","","- C18 H19 N5 -","- C18 H19 N5 -","- C144 H152 N40 -","8","1","IS2800","Shi, Fuqiang; Zhu, Li-Hong; Mu, Li; Zhang, Long; Li, Ya-Feng","<i>N</i>^4^,<i>N</i>^6^-Dimethyl-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,5,6-triamine","Acta Crystallographica Section E","2011","67","12","o3249","","10.1107/S1600536811046642","","","0.71073","MoKα","","0.1027","0.0524","","","0.1181","0.1367","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232801","8.5894","0.0009","12.3144","0.0013","12.6109","0.0015","68.181","0.001","87.589","0.002","74.96","0.002","1193.7","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","7'-[4-(Trifluoromethyl)phenyl]-5',6',7',7a'-tetrahydrodispiro[indan-2,5'- pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione","","- C29 H20 F3 N O3 S -","- C29 H20 F3 N O3 S -","- C58 H40 F6 N2 O6 S2 -","2","1","IS5003","Wei, Ang Chee; Ali, Mohamed Ashraf; Ismail, Rusli; Quah, Ching Kheng; Fun, Hoong-Kun","7'-[4-(Trifluoromethyl)phenyl]-5',6',7',7a'-tetrahydrodispiro[indan-2,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2011","67","12","o3293","o3294","10.1107/S1600536811047118","","","0.71073","MoKα","","0.0977","0.0628","","","0.1891","0.2156","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232802","6.9524","0.0005","33.024","0.002","11.603","0.0009","90","","107.267","0.001","90","","2543.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)- 3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","- C33 H24 F2 O3 -","- C33 H24 F2 O3 -","- C132 H96 F8 O12 -","4","1","IS5005","Fun, Hoong-Kun; Hemamalini, Madhukar; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3327","o3328","10.1107/S1600536811047660","","","0.71073","MoKα","","0.1192","0.0647","","","0.1498","0.1797","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232803","8.869","0.003","16.05","0.005","20.925","0.006","90","","90","","90","","2978.6","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[4-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","","- C15 H21 N2 O4 -","- C15 H21 N2 O4 -","- C120 H168 N16 O32 -","8","1","IS5006","Jing, Lin-Lin; Ma, Hui-Ping; Fan, Xiao-Fei; He, Lei; Jia, Zheng-Ping","2-[4-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","Acta Crystallographica Section E","2011","67","12","o3348","","10.1107/S160053681104815X","","","0.71073","MoKα","","0.074","0.0472","","","0.1357","0.1633","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232804","16.1955","0.0002","7.5777","0.0001","16.7706","0.0002","90","","93.49","0.001","90","","2054.35","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Bis(thiophen-2-yl)-3-(2,4,5-trimethoxyphenyl)pentane-1,5-dione","","- C22 H22 O5 S2 -","- C22 H22 O5 S2 -","- C88 H88 O20 S8 -","4","1","IS5007","Fun, Hoong-Kun; Suwunwong, Thitipone; Boonnak, Nawong; Chantrapromma, Suchada","1,5-Bis(thiophen-2-yl)-3-(2,4,5-trimethoxyphenyl)pentane-1,5-dione","Acta Crystallographica Section E","2011","67","12","o3416","o3417","10.1107/S160053681104846X","","","0.71073","MoKα","","0.0483","0.0378","","","0.0953","0.1019","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232805","32.66","0.003","7.1435","0.0007","13.4798","0.0013","90","","112.215","0.002","90","","2911.5","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-[1-(2-Chlorophenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C14 H11 Cl N4 O4 -","- C14 H11 Cl N4 O4 -","- C112 H88 Cl8 N32 O32 -","8","1","IS5008","Chantrapromma, Suchada; Nilwanna, Boonlerd; Jansrisewangwong, Patcharaporn; Kobkeatthawin, Thawanrat; Fun, Hoong-Kun","(<i>E</i>)-1-[1-(2-Chlorophenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2011","67","12","o3499","o3500","10.1107/S160053681105001X","","","0.71073","MoKα","","0.0667","0.0417","","","0.1118","0.1267","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232806","12.1323","0.0019","12.9727","0.0015","9.6714","0.0012","90","","113.213","0.002","90","","1398.9","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(3-Hydroxy-4-methoxybenzylidene)-4-methoxybenzohydrazide","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","IS5009","Fun, Hoong-Kun; Promdet, Premrudee; Chantrapromma, Suchada; Horkaew, Jirapa; Karalai, Chatchanok","(<i>E</i>)-<i>N</i>'-(3-Hydroxy-4-methoxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2011","67","12","o3370","o3371","10.1107/S1600536811048240","","","0.71073","MoKα","","0.0425","0.037","","","0.1026","0.1088","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232807","6.2434","0.0002","9.9348","0.0004","13.6564","0.0006","107.762","0.001","99.506","0.001","94.331","0.001","788.43","0.05","297","","297","2","","","","","","","","5","P -1","-P 1","2","","5-(4-Methoxyphenyl)-3-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C16 H16 N4 O S -","- C16 H16 N4 O S -","- C32 H32 N8 O2 S2 -","2","1","IS5010","Nonthason, Phonpawee; Suwunwong, Thitipone; Chantrapromma, Suchada; Fun, Hoong-Kun","5-(4-Methoxyphenyl)-3-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2011","67","12","o3501","o3502","10.1107/S1600536811050033","","","0.71073","MoKα","","0.0429","0.0368","","","0.1108","0.1218","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232808","9.5112","0.0008","9.5884","0.0009","13.2478","0.0014","72.867","0.007","79.911","0.008","85.399","0.007","1136.17","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-ferrocenecarboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(methanol- κ<i>O</i>)copper(II)] methanol disolvate","","- C48 H52 Cu2 Fe4 O12 -","- C48 H52 Cu2 Fe4 O12 -","- C48 H52 Cu2 Fe4 O12 -","1","0.5","IS5012","Artetxe, Beñat; Vitoria, Pablo; Pache, Aroa; Reinoso, Santiago; Gutiérrez-Zorrilla, Juan M.","Tetrakis(μ~2~-ferrocenecarboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(methanol-κ<i>O</i>)copper(II)] methanol disolvate","Acta Crystallographica Section E","2011","67","12","m1840","m1841","10.1107/S1600536811050185","","","0.71073","MoKα","","0.0987","0.0427","","","0.0696","0.0802","","","","","","0.772","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232809","8.0994","0.0003","13.6566","0.0004","13.8472","0.0005","70.393","0.001","85.264","0.001","89.069","0.001","1437.8","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-(6-Fluoro-1,3-benzothiazol-2-yl)-3-phenyl-1<i>H</i>-pyrazole-4- carbaldehyde","","- C17 H10 F N3 O S -","- C17 H10 F N3 O S -","- C68 H40 F4 N12 O4 S4 -","4","2","IS5013","Fun, Hoong-Kun; Ooi, Chin Wei; Munirajasekhar, D.; Himaja, M.; Sarojini, B. K.","1-(6-Fluoro-1,3-benzothiazol-2-yl)-3-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","12","o3458","o3459","10.1107/S1600536811049634","","","0.71073","MoKα","","0.059","0.0431","","","0.1236","0.144","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232810","6.8959","0.0007","11.0858","0.0007","12.0142","0.0012","100.69","0.002","93.107","0.001","95.354","0.001","896.16","0.14","296","","296","","","","","","","","","4","P -1","-P 1","2","","Ethyl 1-cyclohexyl-5-(4-methoxyphenyl)-1<i>H</i>-pyrazole-4-carboxylate","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","IS5014","Fun, Hoong-Kun; Quah, Ching Kheng; Chandrakantha, B.; Isloor, A. M.; Shetty, Prakash","Ethyl 1-cyclohexyl-5-(4-methoxyphenyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2011","67","12","o3460","o3461","10.1107/S1600536811049282","","","0.71073","MoKα","","0.0641","0.0496","","","0.1491","0.1642","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232811","8.8828","0.0008","11.7228","0.0003","14.4551","0.0009","109.931","0.003","103.585","0.004","99.456","0.003","1325.39","0.16","298","","298","","","","","","","","","6","P -1","-P 1","2","","Bis[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate","","- C24 H18 Cl Fe N6 O9 -","- C24 H18 Cl Fe N6 O9 -","- C48 H36 Cl2 Fe2 N12 O18 -","2","1","JJ2105","Li, Xi-Feng; Qiu, Tian-Bao; Hu, Li-Xin; Hu, Chun-Yue","Bis[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate","Acta Crystallographica Section E","2011","67","12","m1765","m1766","10.1107/S1600536811047684","","","0.71073","MoKα","","0.07","0.0526","","","0.1506","0.1653","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232812","7.6732","0.0004","7.7894","0.0004","14.1225","0.0007","78.535","0.003","80.379","0.003","78.212","0.003","802.73","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","6-[(4-Hydroxyphenyl)diazenyl]-1,10-phenanthrolin-1-ium chloride monohydrate","","- C18 H15 Cl N4 O2 -","- C18 H15 Cl N4 O2 -","- C36 H30 Cl2 N8 O4 -","2","1","JJ2106","Hazeen, Akram; Zhang, Yan; Mao, Minchong; Wheeler, Kraig A.; McGuire, Mark E.","6-[(4-Hydroxyphenyl)diazenyl]-1,10-phenanthrolin-1-ium chloride monohydrate","Acta Crystallographica Section E","2011","67","12","o3151","","10.1107/S1600536811044941","","","1.54178","CuKα","","0.0511","0.0425","","","0.1121","0.118","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232813","6.92","0.0003","12.6556","0.0006","18.8743","0.0008","90","","94.939","0.002","90","","1646.81","0.13","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5,8-dibromo-15-nitro-2,11-dithia[3.3]paracyclophane","13,15-dibromo-6-nitro-3,10-dithiatricyclo[10.2.2.2^5,8^]octadeca- 1(14),5,7,12,15,17-hexaene","","- C16 H13 Br2 N O2 S2 -","- C16 H13 Br2 N O2 S2 -","- C64 H52 Br8 N4 O8 S8 -","4","1","JJ2107","Hu, Fang; Chen, Zhi-Ming","5,8-Dibromo-15-nitro-2,11-dithia[3.3]paracyclophane","Acta Crystallographica Section E","2011","67","12","o3368","","10.1107/S1600536811048434","","","0.71073","MoKα","","0.09","0.0471","","","0.1037","0.119","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232814","10.38","0.002","10.752","0.003","16.025","0.004","90","","106.419","0.004","90","","1715.5","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~4~-benzene-1,3,5-tricarboxylato)bis(dimethyl sulfoxide-κ<i>O</i>) neodymium(III)]","","- C13 H15 Nd O8 S2 -","- C13 H15 Nd O8 S2 -","- C52 H60 Nd4 O32 S8 -","4","1","JJ2108","Li, Zhongyue; Liu, Kun","Poly[(μ~4~-benzene-1,3,5-tricarboxylato)bis(dimethyl sulfoxide-κ<i>O</i>)neodymium(III)]","Acta Crystallographica Section E","2011","67","12","m1833","","10.1107/S1600536811049622","","","0.71073","MoKα","","0.0501","0.0385","","","0.0786","0.0821","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232815","7.902","0.0019","9.61","0.003","14.327","0.004","81.89","0.03","75.04","0.02","87.92","0.02","1040.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(valinato- κ^2^<i>N</i>,<i>O</i>)copper(II) nitrate dihydrate","","- C17 H24 Cu N4 O8 -","- C17 H24 Cu N4 O8 -","- C34 H48 Cu2 N8 O16 -","2","1","JJ2109","Tovar-Tovar, Araceli; García-Ramos, Juan-Carlos; Flores-Alamo, Marcos; Ruiz-Azuara, Lena","Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(valinato-κ^2^<i>N</i>,<i>O</i>)copper(II) nitrate dihydrate","Acta Crystallographica Section E","2011","67","12","m1796","m1797","10.1107/S1600536811047398","","","0.71073","MoKα","","0.0493","0.0372","","","0.0881","0.0941","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232816","24.099","0.003","16.173","0.002","9.837","0.0011","90","","95.906","0.007","90","","3813.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-(4-Benzyloxy-2-hydroxybenzylidene)-<i>N</i>- phenylhydrazinecarbothioamide","","- C21 H19 N3 O2 S -","- C21 H19 N3 O2 S -","- C168 H152 N24 O16 S8 -","8","1","JJ2110","Nisha, K.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(<i>E</i>)-2-(4-Benzyloxy-2-hydroxybenzylidene)-<i>N</i>-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2011","67","12","o3420","","10.1107/S1600536811049658","","","0.71073","MoKα","","0.1085","0.0491","","","0.1158","0.1481","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232817","10.2546","0.0004","8.7643","0.0003","37.5434","0.0013","90","","90","","90","","3374.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-{4-[(4-Oxoquinazolin-3-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}butyl acetate","","- C17 H19 N5 O3 -","- C17 H19 N5 O3 -","- C136 H152 N40 O24 -","8","1","KJ2192","Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","4-{4-[(4-Oxoquinazolin-3-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}butyl acetate","Acta Crystallographica Section E","2011","67","12","o3191","","10.1107/S1600536811045600","","","0.71073","MoKα","","0.0629","0.0467","","","0.1223","0.1326","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232818","18.0007","0.0004","12.5083","0.0003","16.0674","0.0004","90","","91.004","0.001","90","","3617.15","0.15","90","0.5","90","0.5","101.3","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2,9,16,23-Tetrakis(1-methylethyl)-5,6,11,12,13,14,19,20,25,26,27,28- dodecadehydrotetrabenzo[<i>a</i>,<i>e</i>,<i>k</i>,<i>o</i>]cycloeicosene","7,16,25,34-tetrakis(propan-2-yl)pentacyclo[30.4.0.0^4,9^.0^14,19^.0^22,27^] hexatriaconta-1(32),4,6,8,14(19),15,17,22,24,26,33,35-dodecaen- 2,10,12,20,28,30-hexayne","","- C48 H40 -","- C48 H40 -","- C192 H160 -","4","1","KJ2194","Perera, Theshini; Fronczek, Frank R.; Watkins, Steven F.","2,9,16,23-Tetrakis(1-methylethyl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydrotetrabenzo[<i>a</i>,<i>e</i>,<i>k</i>,<i>o</i>]cycloeicosene","Acta Crystallographica Section E","2011","67","12","o3493","","10.1107/S1600536811048604","","","0.71073","MoKα","","","0.0487","","","","0.1265","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232819","9.6239","0.0011","10.1916","0.0011","12.1927","0.0013","90","","95.146","0.002","90","","1191.1","0.2","293","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~3~-5-aminoisophthalato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>N</i>)(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc] 0.25-hydrate]","","- C11 H9.5 N3 O4.25 Zn -","- C11 H9.5 N3 O4.25 Zn -","- C44 H38 N12 O17 Zn4 -","4","1","KP2352","Kuai, Hai-Wei; Cheng, Xiao-Chun","Poly[[(μ~3~-5-aminoisophthalato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>N</i>)(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc] 0.25-hydrate]","Acta Crystallographica Section E","2011","67","12","m1835","","10.1107/S1600536811050045","","","0.71073","MoKα","","0.0655","0.0479","","","0.0957","0.0983","","","","","","1.085","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232820","10.067","0.0005","12.708","0.0007","14.42","0.0007","100.179","0.003","97.519","0.003","108.465","0.003","1687.42","0.16","173","","173","","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-Dichloridobis[diphenyl(4-vinylphenyl)phosphane-κ<i>P</i>] platinum(II)","","- C40 H34 Cl2 P2 Pt -","- C40 H34 Cl2 P2 Pt -","- C80 H68 Cl4 P4 Pt2 -","2","1","KP2359","Ogutu, Hezron; Meijboom, Reinout","<i>cis</i>-Dichloridobis[diphenyl(4-vinylphenyl)phosphane-κ<i>P</i>]platinum(II)","Acta Crystallographica Section E","2011","67","12","m1662","","10.1107/S1600536811043789","","","1.54184","CuKα","","0.0342","0.027","","","","0.0645","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232821","8.3492","0.0003","7.4954","0.0002","14.9246","0.0003","90","","90.674","0.0018","90","","933.93","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>R</i>)-4-[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl]-2-methylpiperazin-1-ium chloride","","- C20 H23 Cl N2 O2 -","- C20 H23 Cl N2 O2 -","- C40 H46 Cl2 N4 O4 -","2","1","KP2361","Ertan, Anne; Sharma, Parhalad; Nagaraju, Dokka; Deepthi, K.; Manjunatha, Sulur G.","(2<i>R</i>)-4-[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl]-2-methylpiperazin-1-ium chloride","Acta Crystallographica Section E","2011","67","12","o3386","o3387","10.1107/S1600536811048306","","","0.71073","MoKα","","0.0454","0.0359","","","0.0797","0.0858","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232822","18.091","0.004","15.245","0.003","19.007","0.004","90","","90","","90","","5242.1","1.9","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-aqua-triaqua[μ~6~-1,3,4,6-tetrakis(carboxylatomethyl)- 7,8-diphenylglycoluril]dizinc] monohydrate]","","- C24 H28 N4 O15 Zn2 -","- C24 H28 N4 O15 Zn2 -","- C192 H224 N32 O120 Zn16 -","8","1","KP2362","Li, Chuan-Qiang; Qiu, Wen-Ge; He, Hong; Wang, Xiuguang","Poly[[μ-aqua-triaqua[μ~6~-1,3,4,6-tetrakis(carboxylatomethyl)-7,8-diphenylglycoluril]dizinc] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1818","m1819","10.1107/S1600536811049191","","","0.71073","MoKα","","0.0681","0.06","","","0.1453","0.1512","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232823","3.5346","0.0007","12.519","0.003","8.3583","0.0017","90","","97.86","0.03","90","","366.38","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[(6-carboxypyrazine-2-carboxylato)lithium]-μ-aqua]","","- C6 H5 Li N2 O5 -","- C6 H5 Li N2 O5 -","- C12 H10 Li2 N4 O10 -","2","0.5","KP2364","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[(6-carboxypyrazine-2-carboxylato)lithium]-μ-aqua]","Acta Crystallographica Section E","2011","67","12","m1708","m1709","10.1107/S1600536811046198","","","0.71073","MoKα","","0.088","0.0539","","","0.1488","0.1705","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232824","11.4087","0.0009","18.6187","0.0014","19.3802","0.0015","108.079","0.002","100.438","0.002","99.438","0.002","3740.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-Bis(benzyldiphenylphosphane-κ<i>P</i>)dichloridoplatinum(II) dichloromethane sesquisolvate","","- C79 H74 Cl10 P4 Pt2 -","- C79 H73.754 Cl10 P4 Pt2 -","- C158 H147.508 Cl20 P8 Pt4 -","2","1","KP2365","Davis, Wade L.; Meijboom, Reinout","<i>cis</i>-Bis(benzyldiphenylphosphane-κ<i>P</i>)dichloridoplatinum(II) dichloromethane sesquisolvate","Acta Crystallographica Section E","2011","67","12","m1800","","10.1107/S1600536811049269","","","0.71073","MoKα","","0.0216","0.0196","","","0.0471","0.0486","","","","","","0.953","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232825","11.73","0.003","11.925","0.003","8.443","0.002","90","","95.791","0.004","90","","1175","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Butyl 3-oxo-2,3-dihydrobenzo[<i>d</i>][1,2]thiazole-2-carboxylate","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","KP2366","Yang, Jian-Xin; Wang, Xiang-Hui; Tan, Xue-Mei; Wang, Yin; Lin, Qiang","Butyl 3-oxo-2,3-dihydrobenzo[<i>d</i>][1,2]thiazole-2-carboxylate","Acta Crystallographica Section E","2011","67","12","o3409","","10.1107/S160053681104791X","","","0.71073","MoKα","","0.0478","0.0362","","","0.0818","0.0877","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232826","11.7463","0.0002","14.7238","0.0003","16.714","0.0004","96.821","0.002","96.351","0.005","95.24","0.002","2836.59","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4,6-Bis(diphenylphosphanyl)dibenzo[<i>b</i>,<i>d</i>]furan","","- C36 H26 O P2 -","- C36 H26 O P2 -","- C144 H104 O4 P8 -","4","2","KP2367","Marimuthu, Thashree; Friedrich, Holger B.; Bala, Muhammad D.","4,6-Bis(diphenylphosphanyl)dibenzo[<i>b</i>,<i>d</i>]furan","Acta Crystallographica Section E","2011","67","12","o3319","","10.1107/S1600536811047787","","","0.71073","MoKα","","0.0715","0.0406","","","0.0878","0.0998","","","","","","0.899","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232827","12.2078","0.001","11.951","0.001","25.326","0.002","90","","90","","90","","3694.9","0.5","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl(pyrazine-1,3-dithiolato- κ^2^<i>S</i>,<i>S</i>')bis(trimethylphosphane-κ<i>P</i>)iron(II)","","- C12 H20 Fe N2 O2 P2 S2 -","- C12 H20 Fe N2 O2 P2 S2 -","- C96 H160 Fe8 N16 O16 P16 S16 -","8","1","KP2368","Gao, Shang; Duan, Qian; An, Chun-ai; Jiang, Da-yong","Dicarbonyl(pyrazine-1,3-dithiolato-κ^2^<i>S</i>,<i>S</i>')bis(trimethylphosphane-κ<i>P</i>)iron(II)","Acta Crystallographica Section E","2011","67","12","m1790","","10.1107/S1600536811048574","","","0.71073","MoKα","","0.0348","0.0288","","","0.0696","0.0727","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232828","6.988","0.003","9.948","0.004","12.686","0.006","90","","98.891","0.005","90","","871.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[chloridodimethyltin(IV)]-μ-chloroacetato- κ^2^<i>O</i>:<i>O</i>']","","- C4 H8 Cl2 O2 Sn -","- C4 H8 Cl2 O2 Sn -","- C16 H32 Cl8 O8 Sn4 -","4","1","KP2369","Zhang, Shaoliang; Zhang, Junhong; Zhang, Rufen","<i>catena</i>-Poly[[chloridodimethyltin(IV)]-μ-chloroacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","12","m1805","","10.1107/S160053681104918X","","","0.71073","MoKα","","0.0579","0.0395","","","0.0891","0.0998","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232829","9.2256","0.0013","9.8561","0.0014","10.0808","0.0014","97.213","0.002","98.658","0.002","99.226","0.002","883.9","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","17,35-Bis[(2-propyn-1-yloxy)methyl]-2,5,8,11,14,20,23,26,29,32- decaoxatricyclo[31.3.1.1^15,19^]octatriaconta-1(37),15,17,19(38),33,35-hexaene","","- C36 H48 O12 -","- C36 H48 O12 -","- C36 H48 O12 -","1","0.5","LD2029","Yang, Yu; Xu, Zhi-kai; Yang, Deng-ke; Pan, Shao-wu; Jiang, La-sheng","Bis{5-[(2-propyn-1-yloxy)methyl]-1,3-phenylene}-32-crown-10","Acta Crystallographica Section E","2011","67","12","o3244","","10.1107/S1600536811046435","","","0.71073","MoKα","","0.0574","0.0419","","","0.1021","0.1126","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232830","24.941","0.002","3.8306","0.0006","15.0868","0.0014","90","","126.116","0.014","90","","1164.4","0.3","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-bromo-<i>N</i>^3^-[(<i>E</i>)-(6-bromopyridin-2-yl)methylidene]pyridine- 3,4-diamine","","- C11 H8 Br2 N4 -","- C11 H8 Br2 N4 -","- C44 H32 Br8 N16 -","4","1","LD2030","Cai, Mingjian","5-Bromo-<i>N</i>^3^-[(<i>E</i>)-(6-bromopyridin-2-yl)methylidene]pyridine-3,4-diamine","Acta Crystallographica Section E","2011","67","12","o3402","","10.1107/S1600536811047702","","","0.71073","MoKα","","0.0312","0.0292","","","0.0544","0.0546","","","","","","0.886","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232831","10.962","0.005","16.663","0.005","8.079","0.005","90","","90","","90","","1475.7","1.2","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>,<i>N</i>'-Dicyclopentyl-<i>N</i>'',<i>N</i>''-dimethylphosphoric triamide","","- C12 H26 N3 O P -","- C12 H26 N3 O P -","- C48 H104 N12 O4 P4 -","4","1","LD2034","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Ghoreishi, Farnaz; Vahdani, Banafsheh","<i>N</i>,<i>N</i>'-Dicyclopentyl-<i>N</i>'',<i>N</i>''-dimethylphosphoric triamide","Acta Crystallographica Section E","2011","67","12","o3401","","10.1107/S1600536811048549","","","0.71069","MoKα","","0.1074","0.0561","","","0.0957","0.108","","","","","","0.883","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232832","5.387","0.0011","23.537","0.005","9.46","0.0019","90","","99.86","0.03","90","","1181.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chloro-2-nitrophenyl)-5-methylisoxazole-4-carboxamide","","- C11 H8 Cl N3 O4 -","- C11 H8 Cl N3 O4 -","- C44 H32 Cl4 N12 O16 -","4","1","LD2035","Wang, De-Cai; Huang, Liang-Cheng; Liu, Zhu-Yun; Wei, Ping; Ou-yang, Ping-Kai","<i>N</i>-(4-Chloro-2-nitrophenyl)-5-methylisoxazole-4-carboxamide","Acta Crystallographica Section E","2011","67","12","o3332","","10.1107/S1600536811047994","","","0.71073","MoKα","","0.0661","0.0419","","","0.1215","0.1431","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232833","5.8485","0.0012","9.1844","0.0017","9.9834","0.0019","72.629","0.003","80.547","0.003","78.98","0.003","499.06","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Isopropyl protocatechuate","Isopropyl 3,4-dihydroxybenzoate","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","LH5339","Shen, Xu-Ji; Zhang, Qun-Zheng; Wang, Shi-Xiang; Zhang, Ya-Jun; Zheng, Xiao-Hui","Isopropyl 3,4-dihydroxybenzoate","Acta Crystallographica Section E","2011","67","12","o3233","","10.1107/S1600536811044965","","","0.71073","MoKα","","0.0641","0.0479","","","0.1205","0.1332","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232834","6.2303","0.0006","5.5941","0.0005","15.1364","0.0015","90","","97.049","0.001","90","","523.56","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Benzyl-3,5-dimethyl-1<i>H</i>-pyrazole","","- C12 H14 N2 -","- C12 H14 N2 -","- C24 H28 N4 -","2","1","LH5342","Wang, Su-Qing; Kong, Cheng","4-Benzyl-3,5-dimethyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","12","o3199","","10.1107/S1600536811045405","","","0.71073","MoKα","","0.0618","0.0447","","","0.1004","0.1072","","","","","","0.949","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232835","12.5485","0.0008","18.5378","0.0011","19.2839","0.0012","64.516","0.001","81.957","0.002","79.675","0.001","3973.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Nitrato-κ<i>O</i>){<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetrakis[(1<i>H</i>- benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) hemiaqua{<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetrakis[(1<i>H</i>- benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) trinitrate dihydrate","","- C76 H81 N24 O14.5 Pb2 -","- C76 H81 N24 O14.5 Pb2 -","- C152 H162 N48 O29 Pb4 -","2","1","LH5344","Xiao, Zuo-an; Jiang, Ting-ting","(Nitrato-κ<i>O</i>){<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) hemiaqua{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) trinitrate dihydrate","Acta Crystallographica Section E","2011","67","12","m1854","m1855","10.1107/S1600536811050082","","","0.71073","MoKα","","0.072","0.0448","","","0.0889","0.1008","","","","","","0.961","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232836","10.6746","0.0003","12.3344","0.0004","15.6158","0.0005","90","","106.901","0.001","90","","1967.25","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 1-(butan-2-yl)-2-(2-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","LH5357","Arumugam, Natarajan; Ngah, Nurziana; Osman, Hasnah; Abdul Rahim, Aisyah Saad","Ethyl 1-(butan-2-yl)-2-(2-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2011","67","12","o3231","o3232","10.1107/S1600536811046095","","","0.71073","MoKα","","0.0582","0.0446","","","0.1122","0.1222","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232837","9.6331","0.0012","11.2657","0.0014","10.7675","0.0013","90","","112.433","0.002","90","","1080.1","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-<i>N</i>-{3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2- ylidene}cyanamide","","- C8 H7 Cl N4 S2 -","- C8 H7 Cl N4 S2 -","- C32 H28 Cl4 N16 S8 -","4","1","LH5358","Li, Yue-Ming; Li, Jian-Ye; Wang, Qian; Hao, Ai-You; Sun, Tao","(<i>Z</i>)-<i>N</i>-{3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide","Acta Crystallographica Section E","2011","67","12","o3303","","10.1107/S1600536811047404","","","0.71073","MoKα","","0.0405","0.0332","","","0.0949","0.1083","","","","","","0.977","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232838","7.0292","0.0003","10.2892","0.0004","12.5439","0.0005","91.361","0.002","90.407","0.002","104.998","0.002","876","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Poly[tetrakis(μ-benzene-1,2-dicarboxylato)di-μ-formato-pentastrontium(II)]","","- C34 H18 O20 Sr5 -","- C34 H18 O20 Sr5 -","- C34 H18 O20 Sr5 -","1","0.5","LH5360","Cheng, Pei-Chi; Zhan, Jun-Xiang; Wu, Cheng-You; Lin, Chia-Her","Poly[tetrakis(μ-benzene-1,2-dicarboxylato)di-μ-formato-pentastrontium(II)]","Acta Crystallographica Section E","2011","67","12","m1647","","10.1107/S1600536811044977","","","0.71073","MoKα","","0.0393","0.0278","","","0.0569","0.0599","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232839","26.327","0.002","12.4462","0.001","25.166","0.002","90","","100.242","0.002","90","","8114.8","1.1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Aqua{tris[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]amine}zinc 5-(dimethylamino)naphthalene-1-sulfonate perchlorate 2.5-hydrate","","- C36 H40 Cl N8 O10.5 S Zn -","- C36 H40 Cl N8 O10.5 S Zn -","- C288 H320 Cl8 N64 O84 S8 Zn8 -","8","1","LH5361","Xiao, Zuo-an; Jiang, Ting-ting","Aqua{tris[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]amine}zinc 5-(dimethylamino)naphthalene-1-sulfonate perchlorate 2.5-hydrate","Acta Crystallographica Section E","2011","67","12","m1755","","10.1107/S1600536811047453","","","0.71073","MoKα","","0.0822","0.0623","","","0.1699","0.1801","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232840","11.1435","0.001","14.1942","0.0012","12.6567","0.0011","90","","112.046","0.001","90","","1855.6","0.3","289","2","289","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis{aqua[bis(1<i>H</i>- benzimidazol-2-ylmethyl)amine]copper(II)} dinitrate","","- C32 H34 Cu2 N18 O8 -","- C32 H34 Cu2 N18 O8 -","- C64 H68 Cu4 N36 O16 -","2","0.5","LH5362","Luo, Yuan-yuan","Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis{aqua[bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine]copper(II)} dinitrate","Acta Crystallographica Section E","2011","67","12","m1703","m1704","10.1107/S1600536811045909","","","0.71073","Mokα","","0.104","0.0706","","","0.1564","0.1714","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232841","10.495","0.005","6.283","0.003","19.247","0.01","90","","97.029","0.008","90","","1259.6","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>tert</i>-Butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate","","- C12 H20 N2 O3 -","- C12 H20 N2 O3 -","- C48 H80 N8 O12 -","4","1","LH5363","Yang, Jie","<i>tert</i>-Butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate","Acta Crystallographica Section E","2011","67","12","o3492","","10.1107/S160053681105046X","","","0.71073","MoKα","","0.0542","0.0499","","","0.1017","0.1045","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232842","9.73","0.003","17.977","0.005","8.57","0.002","90","","106.194","0.002","90","","1439.6","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(4-Hydroxyphenyl)-7-methoxychroman-4-one monohydrate","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","LH5364","Xiao, Zhu-Ping; Peng, Zhu-Yun; Luo, Qun; Wu, Ying; Yang, Ye-Ling","3-(4-Hydroxyphenyl)-7-methoxychroman-4-one monohydrate","Acta Crystallographica Section E","2011","67","12","o3212","","10.1107/S1600536811046034","","","0.71073","MoKα","","0.0837","0.0509","","","0.122","0.1379","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232843","20.8405","0.0016","11.4228","0.0009","15.0728","0.0012","90","","127.479","0.001","90","","2847.5","0.4","288","2","288","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(2,4-dichlorobenzoato)bis(methanol- κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C26 H22 Cl4 Co N2 O6 -","- C26 H22 Cl4 Co N2 O6 -","- C104 H88 Cl16 Co4 N8 O24 -","4","0.5","LH5365","Hyun, Min Young; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee","<i>catena</i>-Poly[[bis(2,4-dichlorobenzoato)bis(methanol-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","12","m1705","","10.1107/S1600536811046149","","","0.71073","MoKα","","0.0484","0.035","","","0.0859","0.0921","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232844","8.263","0.0008","9.3792","0.0009","33.806","0.003","90","","90","","90","","2620","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Naphthalen-1-yl)benzamide","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","LH5366","Zhu, Ruitao; Ren, Yuehong; Li, Wenjuan","<i>N</i>-(Naphthalen-1-yl)benzamide","Acta Crystallographica Section E","2011","67","12","o3204","","10.1107/S1600536811045946","","","0.71073","MoKα","","0.1104","0.0559","","","0.1142","0.1288","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232845","4.7774","0.0011","11.367","0.003","16.159","0.004","90","","90","","90","","877.5","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetic acid","","- C9 H7 N O3 S -","- C9 H7 N O3 S -","- C36 H28 N4 O12 S4 -","4","1","LH5367","Wang, Xiang-hui; Yang, Jian-Xin; You, Cheng-hang; Tan, Xue-mei; Lin, Qiang","2-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetic acid","Acta Crystallographica Section E","2011","67","12","o3295","","10.1107/S1600536811047490","","","0.71073","MoKα","","0.0372","0.0323","","","0.0659","0.0676","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232846","8.7085","0.0004","7.9671","0.0004","10.0697","0.0004","90","","95.409","0.002","90","","695.54","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[tetraaqua(μ~8~-butane-1,2,3,4-tetracarboxylato)distrontium]","","- C8 H14 O12 Sr2 -","- C8 H14 O12 Sr2 -","- C16 H28 O24 Sr4 -","2","0.5","LH5368","Cheng, Pei-Chi; Zhan, Jun-Xiang; Wu, Cheng-You; Lin, Chia-Her","Poly[tetraaqua(μ~8~-butane-1,2,3,4-tetracarboxylato)distrontium]","Acta Crystallographica Section E","2011","67","12","m1700","","10.1107/S1600536811046265","","","0.71073","MoKα","","0.0373","0.0277","","","0.0589","0.061","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232847","10.5677","0.0002","10.5677","0.0002","21.4244","0.0005","90","","90","","90","","2392.6","0.08","298","2","298","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","1-(5,7-Dihydroxy-2,2-dimethylchroman-6-yl)ethanone","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","LH5372","Akerman, Matthew P.; Mkhize, Zimbili; van Heerden, Fanie R.","1-(5,7-Dihydroxy-2,2-dimethylchroman-6-yl)ethanone","Acta Crystallographica Section E","2011","67","12","o3412","","10.1107/S1600536811047982","","","0.71073","MoKα","","0.0379","0.0322","","","0.0889","0.0913","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232848","6.1583","0.0003","9.4491","0.0003","13.671","0.0005","77.614","0.002","80.746","0.002","77.041","0.002","751.89","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Poly[[aqua(μ~5~-3,4,5,6-tetracarboxycyclohexane-1,2- dicarboxylato)strontium] monohydrate]","","- C12 H14 O14 Sr -","- C12 H14 O14 Sr -","- C24 H28 O28 Sr2 -","2","1","LH5373","Cheng, Pei-Chi; Zhan, Jun-Xiang; Wu, Cheng-You; Lin, Chia-Her","Poly[[aqua(μ~5~-3,4,5,6-tetracarboxycyclohexane-1,2-dicarboxylato)strontium] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1899","m1900","10.1107/S1600536811050811","","","0.71073","MoKα","","0.0357","0.0281","","","0.062","0.0645","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232849","16.7907","0.0006","14.5316","0.0005","17.1593","0.0006","90","","106.445","0.001","90","","4015.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-Bis(diphenylphosphanyl-κ<i>P</i>)methane]decacarbonyltri-μ-hydrido- trirhenium(I)(3 <i>Re</i>—<i>Re</i>) dichloromethane solvate","","- C36 H27 Cl2 O10 P2 Re3 -","- C36 H27 Cl2 O10 P2 Re3 -","- C144 H108 Cl8 O40 P8 Re12 -","4","1","LH5374","Abdel-Magied, Ahmed F.; Singh, Amrendra K.; Haukka, Matti; Nordlander, Ebbe","[μ-Bis(diphenylphosphanyl-κ<i>P</i>)methane]decacarbonyltri-μ-hydrido-trirhenium(I)(3 <i>Re</i>—<i>Re</i>) dichloromethane solvate","Acta Crystallographica Section E","2011","67","12","m1816","","10.1107/S1600536811049312","","","0.71073","MoKα","","0.0413","0.032","","","0.0765","0.0812","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232850","11.766","0.003","6.785","0.002","14.42","0.004","90","","110.526","0.004","90","","1078.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Methylhydrazinium picrate","1-Methylhydrazinium 2,4,6-trinitrophenolate","","- C7 H9 N5 O7 -","- C7 H9 N5 O7 -","- C28 H36 N20 O28 -","4","1","LH5375","Mu, Xiao-Gang; Wang, Xuan-Jun; Zhang, Youzhi; Gou, Xiaoli; Li, Xia","1-Methylhydrazinium picrate","Acta Crystallographica Section E","2011","67","12","o3378","","10.1107/S1600536811048677","","","0.71073","MoKα","","0.0456","0.037","","","0.097","0.1025","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232851","8.971","0.0001","9.3142","0.0001","9.4129","0.0001","81.563","0.001","68.921","0.001","80.146","0.001","719.954","0.014","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Acetyl-3-hydroxy-4-phenyl-4,5-dihydro-1<i>H</i>-1,5-benzodiazepin- 2(3<i>H</i>)-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","LH5376","Rida, Mohamed; Alsubari, Abdusalam; Essassi, El Mokhtar; Zouihri, Hafid; Ng, Seik Weng","5-Acetyl-3-hydroxy-4-phenyl-4,5-dihydro-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","12","o3337","","10.1107/S1600536811047878","","","0.71073","MoKα","","0.0542","0.0473","","","0.1363","0.1486","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232852","9.11845","0.00017","9.39881","0.00017","9.96935","0.00018","107.809","0.0007","107.551","0.0007","110.24","0.0007","679.25","0.02","170","1","170","1","","","","","","","","5","P -1","-P 1","2","Morpholinium hydrogen chloranilate methanol monosolvate","Morpholin-1-ium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate methanol monosolvate","","- C11 H15 Cl2 N O6 -","- C11 H15 Cl2 N O6 -","- C22 H30 Cl4 N2 O12 -","2","1","LH5377","Gotoh, Kazuma; Tahara, Yuki; Ishida, Hiroyuki","Morpholinium hydrogen chloranilate methanol monosolvate","Acta Crystallographica Section E","2011","67","12","o3335","","10.1107/S1600536811047891","","","0.71075","MoKα","","0.0318","0.0265","","","0.0749","0.0774","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232853","12.0152","0.0004","17.6609","0.0004","13.1076","0.0003","90","","109.195","0.003","90","","2626.79","0.13","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[<i>S</i>-Allyl-4-(4-hydroxy-2-oxidobenzylidene-κ<i>O</i>)-1-(2- oxidobenzylidene-κ<i>O</i>)isothiosemicarbazidato- κ^2^<i>N</i>^1^,<i>N</i>^4^](ethanol-κ<i>O</i>)dioxidouranium(VI) ethanol monosolvate","","- C22 H27 N3 O7 S U -","- C22 H27 N3 O7 S U -","- C88 H108 N12 O28 S4 U4 -","4","1","LH5378","Takjoo, Reza; Dutkiewicz, Grzegorz; Kubicki, Maciej","[<i>S</i>-Allyl-4-(4-hydroxy-2-oxidobenzylidene-κ<i>O</i>)-1-(2-oxidobenzylidene-κ<i>O</i>)isothiosemicarbazidato-κ^2^<i>N</i>^1^,<i>N</i>^4^](ethanol-κ<i>O</i>)dioxidouranium(VI) ethanol monosolvate","Acta Crystallographica Section E","2011","67","12","m1824","m1825","10.1107/S1600536811049579","","","0.71073","MoKα","","0.0634","0.0412","","","0.1049","0.1202","","","","","","1.014","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2232854","18.369","0.0013","4.0016","0.0003","16.2877","0.0013","90","","112.66","0.004","90","","1104.82","0.15","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[(<i>E</i>)-(5-bromo-2-hydroxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione","","- C9 H6 Br N3 O S2 -","- C9 H6 Br N3 O S2 -","- C36 H24 Br4 N12 O4 S8 -","4","1","LH5379","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","5-[(<i>E</i>)-(5-Bromo-2-hydroxybenzylidene)amino]-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","12","o3436","","10.1107/S1600536811049920","","","0.71073","MoKα","","0.1087","0.0597","","","0.1248","0.1398","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232855","10.7796","0.0018","5.2725","0.0009","15.3427","0.0018","90","","121.54","0.008","90","","743.2","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>E</i>,2<i>E</i>)-1,2-Bis[1-(3-chlorophenyl)ethylidene]hydrazine","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C32 H28 Cl4 N4 -","2","0.5","LH5380","Fun, Hoong-Kun; Jansrisewangwong, Patcharaporn; Karalai, Chatchanok; Chantrapromma, Suchada","(1<i>E</i>,2<i>E</i>)-1,2-Bis[1-(3-chlorophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2011","67","12","o3424","","10.1107/S1600536811049725","","","0.71073","MoKα","","0.0673","0.0514","","","0.1591","0.1797","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232856","16.6548","0.0015","12.9238","0.0012","32.936","0.003","90","","90.126","0.001","90","","7089.2","1.1","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","[1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) perchlorate","","- C39 H34 Cl Cu N2 O4 P2 -","- C39 H34 Cl Cu N2 O4 P2 -","- C312 H272 Cl8 Cu8 N16 O32 P16 -","8","2","LR2032","Xiao, Ye-Lan; Zhou, Li-Li; Gao, Sen; Jin, Qiong-Hua; Zhang, Cun-Lin","[1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) perchlorate","Acta Crystallographica Section E","2011","67","12","m1713","m1714","10.1107/S160053681104606X","","","0.71073","MoKα","","0.0513","0.038","","","0.07","0.0741","","","","","","0.908","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232857","10.2218","0.0003","8.4535","0.0002","15.7633","0.0004","90","","100.3","0.002","90","","1340.16","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-Methyl 3-(3,4-dimethoxyphenyl)-2-[2-(diphenylphosphanyl)benzamido]propanoate","","- C31 H30 N O5 P -","- C31 H30 N O5 P -","- C62 H60 N2 O10 P2 -","2","1","LR2034","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.","(<i>S</i>)-Methyl 3-(3,4-dimethoxyphenyl)-2-[2-(diphenylphosphanyl)benzamido]propanoate","Acta Crystallographica Section E","2011","67","12","o3285","","10.1107/S1600536811047179","","","0.71073","MoKα","","0.0499","0.0343","","","0.0731","0.0788","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232858","9.083","0.0008","10.6375","0.0009","11.9558","0.001","111.853","0.001","95.476","0.001","112.636","0.001","950.39","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{1,2-Bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl- κ<i>N</i>^2^)methyl]benzene}dichloridozinc(II)","","- C18 H22 Cl2 N4 Zn -","- C18 H22 Cl2 N4 Zn -","- C36 H44 Cl4 N8 Zn2 -","2","1","LR2035","Guzei, Ilia A.; Spencer, Lara C.; Budhai, Asheena; Darkwa, James","{1,2-Bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]benzene}dichloridozinc(II)","Acta Crystallographica Section E","2011","67","12","m1715","m1716","10.1107/S1600536811046368","","","0.71073","Mo-Kα","","0.0255","0.0237","","","0.0634","0.0648","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232859","6.3678","0.0002","10.5088","0.0004","10.9216","0.0003","72.58","0.003","78.561","0.003","77.438","0.003","673.64","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]butane","","- C34 H28 N6 O2 -","- C34 H28 N6 O2 -","- C34 H28 N6 O2 -","1","0.5","LR2036","Akerman, Matthew P.; Grimmer, Craig D.; Nikolayenko, Varvara I.; Reddy, Desigan","1,4-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]butane","Acta Crystallographica Section E","2011","67","12","o3478","o3479","10.1107/S1600536811050343","","","0.71073","MoKα","","0.063","0.0527","","","0.1412","0.148","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232860","16.0521","0.0016","19.2628","0.0018","10.4767","0.001","90","","90.024","0.002","90","","3239.5","0.5","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{5,10,15,20-Tetrakis[4-(octyloxy)phenyl]porphyrinato}copper(II)","","- C76 H92 Cu N4 O4 -","- C76 H92 Cu N4 O4 -","- C152 H184 Cu2 N8 O8 -","2","0.5","LX2202","Yang, De-Liang; Zhao, Hong-Bin; Liao, Jun-Xu; Chen, Liang; Wang, Bang-Ying","{5,10,15,20-Tetrakis[4-(octyloxy)phenyl]porphyrinato}copper(II)","Acta Crystallographica Section E","2011","67","12","m1673","","10.1107/S1600536811043698","","","0.71073","MoKα","","0.0968","0.0496","","","0.106","0.1244","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232861","13.288","0.003","23.541","0.005","9.0627","0.0018","90","","98.27","0.03","90","","2805.4","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diethyl 2,5-bis[(2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5- yl)methylideneamino]thiophene-3,4-dicarboxylate acetone monosolvate","","- C27 H28 N2 O9 S3 -","- C27 H28 N2 O9 S3 -","- C108 H112 N8 O36 S12 -","4","0.5","MW2024","Dufresne, Stéphane; Bolduc, Andréanne; Skene, W. G.","Diethyl 2,5-bis[(2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5-yl)methylideneamino]thiophene-3,4-dicarboxylate acetone monosolvate","Acta Crystallographica Section E","2011","67","12","o3138","","10.1107/S160053681104339X","","","1.54178","CuKα","","0.0482","0.0375","","","0.0958","0.1013","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232862","14.0108","0.0006","11.7674","0.0007","25.7068","0.0012","90","","90","","90","","4238.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-phenylphosphinato- κ^2^<i>O</i>:<i>O</i>']","","- C24 H21 O2 P Sn -","- C24 H21 O2 P Sn -","- C192 H168 O16 P8 Sn8 -","8","1","MW2028","Diop, Tidiane; Diop, Libasse; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Stoeckli-Evans, Helen","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-phenylphosphinato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","12","m1674","m1675","10.1107/S1600536811043625","","","0.71073","MoKα","","0.1026","0.0516","","","0.0704","0.0794","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232863","9.6962","0.0004","9.7754","0.0004","10.3676","0.0004","77.896","0.002","63.781","0.002","85.497","0.002","861.87","0.06","90","0.5","90","0.5","101.3","","","","","","","2","P -1","-P 1","2","","Dibenzo[<i>a</i>,<i>e</i>]pentacyclo[12.2.1.1^6,9^.0^2,13^.0^5.10^]octadeca- 2(13),5(10)-diene","","- C26 H24 -","- C26 H24 -","- C52 H48 -","2","1","MW2032","Gautreaux, Dixie; Nauman, Tamara R. Schaller; Fronczek, Frank R.; Watkins, Steven F.","Dibenzo[<i>a</i>,<i>e</i>]pentacyclo[12.2.1.1^6,9^.0^2,13^.0^5.10^]octadeca-2(13),5(10)-diene","Acta Crystallographica Section E","2011","67","12","o3209","","10.1107/S160053681104493X","","","0.71073","MoKα","","","0.045","","","","0.121","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232864","15.726","0.003","11.525","0.002","12.896","0.003","90","","90","","90","","2337.3","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","4-Chloroanilinium perchlorate‒18-crown-16 (1/1)","","- C18 H31 Cl2 N O10 -","- C18 H31 Cl2 N O10 -","- C72 H124 Cl8 N4 O40 -","4","0.5","MW2036","Yu, Chun-Hua","4-Chloroanilinium perchlorate‒18-crown-16 (1/1)","Acta Crystallographica Section E","2011","67","12","o3400","","10.1107/S1600536811048859","","","0.71073","MoKα","","0.0594","0.0454","","","0.1072","0.1138","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232865","12.6865","0.0009","14.522","0.0011","14.025","0.001","90","","93.241","0.004","90","","2579.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl{dicyclohexyl[4-\ (dimethylamino)phenyl]phosphane-κ<i>P</i>}rhodium(I)","","- C26 H39 N O3 P Rh -","- C26 H39 N O3 P Rh -","- C104 H156 N4 O12 P4 Rh4 -","4","1","MW2037","Davis, Wade L.; Meijboom, Reinout","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl{dicyclohexyl[4-(dimethylamino)phenyl]phosphane-κ<i>P</i>}rhodium(I)","Acta Crystallographica Section E","2011","67","12","m1874","","10.1107/S1600536811050483","","","1.54178","CuKα","","0.0366","0.0293","","","0.0727","0.0757","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232866","18.818","0.003","10.649","0.0017","15.864","0.003","90","","112.036","0.002","90","","2946.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis{(acetato- κ^2^<i>O</i>,<i>O</i>')bis[3-(1<i>H</i>-imidazol-1-yl- κ<i>N</i>^3^)-1-phenylpropan-1-one]cadmium} tetrahydrate","","- C56 H68 Cd2 N8 O16 -","- C56 H68 Cd2 N8 O16 -","- C112 H136 Cd4 N16 O32 -","2","0.5","MW2039","Guo, Jian-Hua","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis{(acetato-κ^2^<i>O</i>,<i>O</i>')bis[3-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)-1-phenylpropan-1-one]cadmium} tetrahydrate","Acta Crystallographica Section E","2011","67","12","m1884","","10.1107/S1600536811050021","","","0.71073","MoKα","","0.0621","0.0309","","","0.0647","0.0772","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232867","8.0301","0.0006","8.7842","0.0007","8.1748","0.0006","90","","98.889","0.001","90","","569.71","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Azaniumylethyl)carbamate monohydrate","","- C3 H10 N2 O3 -","- C3 H10 N2 O3 -","- C12 H40 N8 O12 -","4","1","NC2244","Shao, Bo; Wang, Hai-Bin","<i>N</i>-(2-Azaniumylethyl)carbamate monohydrate","Acta Crystallographica Section E","2011","67","12","o3201","","10.1107/S1600536811044850","","","0.71073","MoKα","","0.0348","0.0338","","","0.0913","0.0927","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232868","7.203","0.0003","11.3097","0.0004","14.8372","0.0006","90","","97.391","0.004","90","","1198.65","0.08","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1<i>R</i>*,5<i>S</i>*)-8-(2-Fluoro-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3- one","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C52 H52 F4 N8 O12 -","4","1","NC2245","Yang, Tao; Yang, Jianzhong; Li, Zicheng; Luo, Youfu","(1<i>R</i>*,5<i>S</i>*)-8-(2-Fluoro-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2011","67","12","o3297","","10.1107/S1600536811047350","","","0.7107","MoKα","","0.0687","0.0443","","","0.0985","0.1127","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232869","11.3513","0.0011","10.4585","0.0008","10.2944","0.001","90","","100.954","0.01","90","","1199.86","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Chlorophenyl)-2-oxo-<i>N</i>-phenylacetamide","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C56 H40 Cl4 N4 O8 -","4","1","NC2246","Dai, Jing; Wu, Jin-Long","2-(2-Chlorophenyl)-2-oxo-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2011","67","12","o3152","","10.1107/S1600536811044886","","","0.71073","MoKα","","0.0523","0.034","","","0.0901","0.0954","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232870","9.9621","0.0003","14.8245","0.0005","28.8407","0.001","90","","98.2682","0.0014","90","","4215","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''- (<i>p</i>-tolyl)phosphoric triamide","","- C23 H28 N3 O P -","- C23 H28 N3 O P -","- C184 H224 N24 O8 P8 -","8","2","NC2247","Pourayoubi, Mehrdad; Elahi, Behrouz; Parvez, Masood","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''-(<i>p</i>-tolyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","12","o3221","","10.1107/S1600536811046046","","","0.71073","MoKα","","0.1748","0.1044","","","0.1623","0.1993","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232871","13.9131","0.0004","13.9131","0.0004","24.6789","0.0007","90","","90","","120","","4137.2","0.2","132","2","132","2","","","","","","","","5","R 3 :H","R 3","146","","Tris(tetrahydrofuran-κ<i>O</i>)tris[tris(thiophen-2-yl)methanolato- κ<i>O</i>]terbium(III) tetrahydrofuran monosolvate","","- C55 H59 O7 S9 Tb -","- C54.99 H58.92 O7 S9 Tb -","- C164.97 H176.76 O21 S27 Tb3 -","3","0.333333","NC2251","Veith, Michael; Belot, Celine; Huch, Volker","Tris(tetrahydrofuran-κ<i>O</i>)tris[tris(thiophen-2-yl)methanolato-κ<i>O</i>]terbium(III) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2011","67","12","m1712","","10.1107/S160053681104623X","","","0.71073","MoKα","","0.0351","0.035","","","0.085","0.0852","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232872","14.905","0.0003","5.7849","0.0001","17.8112","0.0003","90","","110.427","0.001","90","","1439.18","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isatin-3-tosylhydrazone","4-Methyl-<i>N</i>'-(2-oxoindolin-3-ylidene)benzene-1-sulfonohydrazide","","- C15 H13 N3 O3 S -","- C15 H13 N3 O3 S -","- C60 H52 N12 O12 S4 -","4","1","NC2252","de Fonseca, Alexandra; Storino, Tomás Garcia; Carratu, Vanessa Santana; Locatelli, Aline; de Oliveira, Adriano Bof","4-Methyl-<i>N</i>'-(2-oxoindolin-3-ylidene)benzene-1-sulfonohydrazide","Acta Crystallographica Section E","2011","67","12","o3256","","10.1107/S1600536811046605","","","0.71073","MoKα","","0.0594","0.0418","","","0.1019","0.1125","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232873","5.2277","0.0002","14.8549","0.0005","17.0509","0.0005","90","","90","","90","","1324.12","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Prop-2-yn-1-yl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-α-D-<i>erythro</i>-hex-2- enopyranoside","","- C13 H16 O6 -","- C13 H16 O6 -","- C52 H64 O24 -","4","1","NC2253","Mesfin, Fanuel M.; Kinfe, Henok H.; Muller, Alfred","Prop-2-yn-1-yl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-α-<small>D</small>-<i>erythro</i>-hex-2-enopyranoside","Acta Crystallographica Section E","2011","67","12","o3308","","10.1107/S1600536811047246","","","1.54178","CuKα","","0.0243","0.0233","","","","0.0582","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232874","28.43","0.004","7.5544","0.001","13.9417","0.0019","90","","108.216","0.002","90","","2844.2","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1- yl)acetato-κ<i>O</i>]copper(II)","","- C32 H30 Cu N4 O4 -","- C32 H30 Cu N4 O4 -","- C128 H120 Cu4 N16 O16 -","4","0.5","NC2255","Yin, Fu-Jun; Han, Li-Jun; Yang, Shu-Ping; Xu, Xing You","Bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(naphthalen-2-yl)acetato-κ<i>O</i>]copper(II)","Acta Crystallographica Section E","2011","67","12","m1772","","10.1107/S1600536811047969","","","0.71073","MoKα","","0.0435","0.0338","","","0.0853","0.0902","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232875","9.0755","0.0006","10.4546","0.0008","11.8246","0.0008","92.958","0.006","105.995","0.005","99.505","0.006","1058.09","0.13","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","<i>rac</i>-4-{(<i>E</i>)-[1-Cyano-1-cyclohexyl-2-(1<i>H</i>-indol- 3-yl)ethyl]iminomethyl}benzonitrile","","- C25 H24 N4 -","- C25 H24 N4 -","- C50 H48 N8 -","2","1","NC2256","Letessier, Julien; Schollmeyer, Dieter; Detert, Heiner; Opatz, Till","<i>rac</i>-4-{(<i>E</i>)-[1-Cyano-1-cyclohexyl-2-(1<i>H</i>-indol-3-yl)ethyl]iminomethyl}benzonitrile","Acta Crystallographica Section E","2011","67","12","o3435","","10.1107/S1600536811049841","","","0.71073","MoKα","","0.0734","0.0414","","","0.0968","0.1066","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232876","7.3207","0.0015","20.971","0.004","9.1613","0.0018","90","","103.96","0.03","90","","1364.9","0.5","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[trimethyl(4-sulfanylphenyl)azanium] [(chloridocadmate)-di-μ-chlorido]]","","- C9 H14 Cd Cl3 N S -","- C9 H14 Cd Cl3 N S -","- C36 H56 Cd4 Cl12 N4 S4 -","4","1","NG5241","Tang, Xiao-Yan; Lang, Jian-Ping","<i>catena</i>-Poly[[trimethyl(4-sulfanylphenyl)azanium] [(chloridocadmate)-di-μ-chlorido]]","Acta Crystallographica Section E","2011","67","12","m1883","","10.1107/S1600536811050513","","","0.71073","MoKα","","0.0267","0.0257","","","0.0682","0.0689","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232877","33.4463","0.0008","7.3287","0.0002","27.2689","0.0007","90","","112.59","0.001","90","","6171.3","0.3","90","0.2","90","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[tris(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]nickel(II) bis{[tris(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]tris(thiocyanato- κ<i>N</i>)nickelate(II)} methanol disolvate","","- C48 H48 N30 Ni3 O2 S6 -","- C48 H48 N30 Ni3 O2 S6 -","- C192 H192 N120 Ni12 O8 S24 -","4","0.5","NG5255","Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad","Bis[tris(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]nickel(II) bis{[tris(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]tris(thiocyanato-κ<i>N</i>)nickelate(II)} methanol disolvate","Acta Crystallographica Section E","2011","67","12","m1656","m1657","10.1107/S1600536811045144","","","1.54178","CuKα","","0.0566","0.0494","","","0.1239","0.1277","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232878","16.2749","0.0005","5.4568","0.0002","12.0438","0.0005","90","","97.533","0.003","90","","1060.37","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","lithium hydrogen <i>cis</i>-cylohexanedicarboxylate dihydrate","<i>catena</i>-Poly[[diaqualithium]-μ-[<i>rac-cis</i>-(2-carboxycyclohexane-1- carboxylato-κ^2^<i>O</i>^1^:<i>O</i>^2^]]","","- C8 H15 Li O6 -","- C8 H15 Li O6 -","- C32 H60 Li4 O24 -","4","1","NG5258","Smith, Graham; Wermuth, Urs D.; Williams, Michael L.","<i>catena</i>-Poly[[diaqualithium]-μ-[<i>rac-cis</i>-(2-carboxycyclohexane-1-carboxylato-κ^2^<i>O</i>^1^:<i>O</i>^2^]]","Acta Crystallographica Section E","2011","67","12","m1658","","10.1107/S1600536811045077","","","0.71073","MoKα","","0.0625","0.0453","","","0.1282","0.1343","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232879","9.228","0.003","7.752","0.002","11.359","0.004","90","","100.88","0.004","90","","798","0.4","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","<i>N</i>^1^,<i>N</i>^4^-Diethynyl-<i>N</i>^1^,<i>N</i>^4^-diphenylbenzene- 1,4-diamine","","- C22 H16 N2 -","- C22 H16 N2 -","- C44 H32 N4 -","2","1","NK2117","Tabata, Hideyuki; Okuno, Tsunehisa","<i>N</i>^1^,<i>N</i>^4^-Diethynyl-<i>N</i>^1^,<i>N</i>^4^-diphenylbenzene-1,4-diamine","Acta Crystallographica Section E","2011","67","12","o3169","","10.1107/S1600536811045351","","","0.71075","MoKα","","","0.0428","","","","0.0926","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232880","23.624","0.008","14.203","0.006","14.715","0.004","90","","115.152","0.012","90","","4469","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-2,7-disulfonate","","- C16 H30 N6 Ni O6 S2 -","- C16 H30 N6 Ni O6 S2 -","- C128 H240 N48 Ni8 O48 S16 -","8","1","NK2123","Gao, Shan; Ng, Seik Weng","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-2,7-disulfonate","Acta Crystallographica Section E","2011","67","12","m1817","","10.1107/S1600536811049063","","","0.71073","MoKα","","0.035","0.0307","","","0.0817","0.0837","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232881","15.69","0.003","11.58","0.002","9.836","0.005","90","","114.65","0.04","90","","1624.3","1.1","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')diiodidocadmium","","- C14 H12 Cd I2 N2 -","- C14 H12 Cd I2 N2 -","- C56 H48 Cd4 I8 N8 -","4","0.5","PK2353","Warad, Ismail; Boshaala, Ahmed; Al-Resayes, Saud I.; Al-Deyab, Salem S.; Rzaigui, Mohamed","(2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')diiodidocadmium","Acta Crystallographica Section E","2011","67","12","m1650","","10.1107/S1600536811044667","","","0.56087","AgKα","","0.095","0.0472","","","0.1091","0.1268","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232882","6.4644","0.0001","8.1978","0.0003","25.176","0.0005","90","","90","","90","","1334.17","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1-Adamantyl)(3-aminophenyl)methanone","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","PK2356","Rouchal, Michal; Nečas, Marek; Vícha, Robert","(1-Adamantyl)(3-aminophenyl)methanone","Acta Crystallographica Section E","2011","67","12","o3198","","10.1107/S1600536811046009","","","0.71073","MoKα","","0.0331","0.0295","","","0.0721","0.0731","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232883","15.5731","0.0016","5.3292","0.0005","18.7731","0.0019","90","","99.246","0.001","90","","1537.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2-(2-Carboxyphenyl)hydrazinylidene]-3-oxo-<i>N</i>-phenylbutyramide","","- C17 H15 N3 O4 -","- C17 H15 N3 O4 -","- C68 H60 N12 O16 -","4","1","PK2357","Dong, Jinlong; Zhang, Gailing; Guo, Meiyu; Wu, Chuan; Ren, Jianguo","2-[2-(2-Carboxyphenyl)hydrazinylidene]-3-oxo-<i>N</i>-phenylbutyramide","Acta Crystallographica Section E","2011","67","12","o3408","","10.1107/S1600536811048173","","","0.71073","MoKα","","0.1096","0.048","","","0.104","0.1371","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232884","14.861","0.003","4.837","0.001","21.31","0.004","90","","106.099","0.004","90","","1471.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]- 2-chlorobenzohydrazide","","- C15 H12 Br Cl N2 O2 -","- C15 H12 Br Cl N2 O2 -","- C60 H48 Br4 Cl4 N8 O8 -","4","1","PK2360","Chang, Jian-Guo","<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]-2-chlorobenzohydrazide","Acta Crystallographica Section E","2011","67","12","o3365","","10.1107/S1600536811048495","","","0.71073","MoKα","","0.0951","0.0432","","","0.0985","0.1187","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232885","17.95","0.009","8.263","0.004","10.188","0.005","90","","123.888","0.008","90","","1254.4","1.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[dibromidomanganese(II)]-μ-2,2'-bipyrimidine- κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^]dihydrate]","","- C8 H10 Br2 Mn N4 O2 -","- C8 H10 Br2 Mn N4 O2 -","- C32 H40 Br8 Mn4 N16 O8 -","4","0.5","PK2362","Ha, Kwang","<i>catena</i>-Poly[[[dibromidomanganese(II)]-μ-2,2'-bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^]dihydrate]","Acta Crystallographica Section E","2011","67","12","m1848","","10.1107/S1600536811049919","","","0.71073","MoKα","","0.0502","0.0326","","","0.0747","0.0966","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232886","8.605","0.004","16.41","0.009","16.556","0.01","90","","107.894","0.008","90","","2225","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","work","Bis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)nickel(II)","","- C22 H18 N8 Ni S2 -","- C22 H18 N8 Ni S2 -","- C88 H72 N32 Ni4 S8 -","4","1","PK2364","Dobrzańska, Liliana","Bis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2011","67","12","m1868","m1869","10.1107/S1600536811050197","","","0.71073","MoKα","","0.1034","0.0656","","","0.1441","0.1605","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232887","16.604","0.0014","9.8516","0.0008","18.4154","0.0016","90","","90","","90","","3012.3","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)cadmium <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C22 H36 Cd N6 O12 -","- C22 H36 Cd N6 O12 -","- C88 H144 Cd4 N24 O48 -","4","1","PK2369","Tong, Shao-Wei; Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; An, Jing-Bo","Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cadmium <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","12","m1870","m1871","10.1107/S1600536811050264","","","0.71073","MoKα","","0.0588","0.0353","","","0.069","0.0791","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232888","5.808","0.0012","11.803","0.002","25.867","0.005","90","","93.1","0.03","90","","1770.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[4-(4-Fluorophenyl)-5-hydroxymethyl-6-isopropylpyrimidin-2-yl]- <i>N</i>-methylmethanesulfonamide","","- C16 H20 F N3 O3 S -","- C16 H20 F N3 O3 S -","- C64 H80 F4 N12 O12 S4 -","4","1","PV2454","Xu, Hong; Sun, Hong-shun; Luo, Feng-mao","<i>N</i>-[4-(4-Fluorophenyl)-5-hydroxymethyl-6-isopropylpyrimidin-2-yl]-<i>N</i>-methylmethanesulfonamide","Acta Crystallographica Section E","2011","67","12","o3432","","10.1107/S1600536811049051","","","0.71073","MoKα","","0.0923","0.0571","","","0.1439","0.168","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232889","7.0332","0.0006","8.3468","0.0007","17.851","0.0015","95.515","0.001","96.786","0.001","97.195","0.001","1025.84","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tetraaquabis(μ~3~-imidazole-4,5-dicarboxylato)tetrakis(μ~2~- imidazole-4,5-dicarboxylato)tricobalt(II)dilutetium(III)] dihydrate]","","- C30 H24 Co3 Lu2 N12 O30 -","- C30 H24 Co3 Lu2 N12 O30 -","- C30 H24 Co3 Lu2 N12 O30 -","1","0.5","PV2457","Zhu, Li-Cai","Poly[[tetraaquabis(μ~3~-imidazole-4,5-dicarboxylato)tetrakis(μ~2~-imidazole-4,5-dicarboxylato)tricobalt(II)dilutetium(III)] dihydrate]","Acta Crystallographica Section E","2011","67","12","m1681","m1682","10.1107/S1600536811045764","","","0.71073","MoKα","","0.0355","0.0307","","","0.0661","0.069","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232890","9.1545","0.0004","10.5954","0.0006","21.1668","0.0013","90","","93.679","0.002","90","","2048.86","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methoxy-3-[(5-methoxy-1<i>H</i>-indol-3-yl)(phenyl)methyl]-1<i>H</i>-indole","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","PV2461","Narayanan, P.; Sethusankar, K.; Ramachandiran, K.; Perumal, P. T.","5-Methoxy-3-[(5-methoxy-1<i>H</i>-indol-3-yl)(phenyl)methyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","12","o3196","","10.1107/S1600536811045491","","","0.71073","MoKα","","0.0587","0.041","","","0.1053","0.1189","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232891","5.0305","0.001","13.616","0.003","16.695","0.003","66.79","0.03","86.17","0.03","88.97","0.03","1048.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[(4-cyanobenzyl)ammonium] bis(perchlorate) monohydrate","","- C16 H20 Cl2 N4 O9 -","- C16 H20 Cl2 N4 O9 -","- C32 H40 Cl4 N8 O18 -","2","1","PV2463","Huang, Yao","Bis[(4-cyanobenzyl)ammonium] bis(perchlorate) monohydrate","Acta Crystallographica Section E","2011","67","12","o3431","","10.1107/S1600536811048884","","","0.71073","MoKα","","0.0917","0.0659","","","0.1613","0.1786","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232892","17.829","0.005","6.713","0.005","9.347","0.005","90","","109.509","0.005","90","","1054.5","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,1,5,5,5-Hexafluoro-2,4-dimethoxypentane-2,4-diol","","- C7 H10 F6 O4 -","- C7 H10 F6 O4 -","- C28 H40 F24 O16 -","4","0.5","PV2464","Koen, Renier; Roodt, Andreas; Visser, Hendrik G.; Muller, Theunis J.","1,1,1,5,5,5-Hexafluoro-2,4-dimethoxypentane-2,4-diol","Acta Crystallographica Section E","2011","67","12","o3155","","10.1107/S1600536811044813","","","0.71073","MoKα","","0.04","0.0302","","","","0.0788","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232893","10.644","0.0014","10.9464","0.0015","15.605","0.002","90","","93.102","0.005","90","","1815.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Carbonylchloridobis(tri-<i>o</i>-tolylphosphane- κ<i>P</i>)rhodium(I)","","- C43 H42 Cl O P2 Rh -","- C43 H42 Cl O P2 Rh -","- C86 H84 Cl2 O2 P4 Rh2 -","2","0.5","PV2465","Warsink, Stefan; Koen, Renier; Roodt, Andreas","<i>trans</i>-Carbonylchloridobis(tri-<i>o</i>-tolylphosphane-κ<i>P</i>)rhodium(I)","Acta Crystallographica Section E","2011","67","12","m1666","","10.1107/S1600536811045715","","","0.71069","MoKα","","0.0738","0.0494","","","0.1248","0.1429","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232894","12.2952","0.0007","9.0696","0.0006","11.5407","0.0007","90","","109.661","0.001","90","","1211.9","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","","- C10 H10 Cl3 N3 -","- C10 H10 Cl3 N3 -","- C40 H40 Cl12 N12 -","4","1","PV2466","Roemmele, Tracey L.; Boeré, René T.","4-Methyl-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide","Acta Crystallographica Section E","2011","67","12","o3137","","10.1107/S1600536811044710","","","0.71073","MoKα","","0.0302","0.0285","","","0.0757","0.0773","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232895","10.266","0.0002","12.6981","0.0003","15.5885","0.0003","90","","90","","90","","2032.1","0.07","293","2","293","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","Bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C22 H22 Co N2 O4 -","- C22 H22 Co N2 O4 -","- C88 H88 Co4 N8 O16 -","4","0.5","PV2467","Perdih, Franc","Bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2011","67","12","m1697","","10.1107/S1600536811046216","","","0.71073","MoKα","","0.0369","0.0319","","","","0.0888","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232896","9.6746","0.0003","9.9435","0.0003","10.7935","0.0003","77.595","0.001","85.433","0.002","76.752","0.001","986.59","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(<i>Z</i>)-Methyl 2-[(2-ethoxy-6-formylphenoxy)methyl]-3-(4-ethylphenyl)acrylate","","- C22 H24 O5 -","- C22 H24 O5 -","- C44 H48 O10 -","2","1","PV2468","Gangadharan, Rajeswari; Sethusankar, K.; Selvakumar, Raman; Bakthadoss, Manickam","(<i>Z</i>)-Methyl 2-[(2-ethoxy-6-formylphenoxy)methyl]-3-(4-ethylphenyl)acrylate","Acta Crystallographica Section E","2011","67","12","o3245","","10.1107/S1600536811046587","","","0.71073","MoKα","","0.0799","0.051","","","0.1406","0.1636","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232897","8.1286","0.0012","8.161","0.0007","8.4878","0.0006","116.164","0.005","106.328","0.007","100.196","0.007","454.41","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,1'-{[1,4-Phenylenebis(methylene)]bis(oxy)bis(4,1-phenylene)}diethanone","","- C24 H22 O4 -","- C24 H22 O4 -","- C24 H22 O4 -","1","0.5","PV2469","Al-Mohammed, Nassir N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","1,1'-{[1,4-Phenylenebis(methylene)]bis(oxy)bis(4,1-phenylene)}diethanone","Acta Crystallographica Section E","2011","67","12","o3164","","10.1107/S160053681104565X","","","0.71073","MoKα","","0.0443","0.0404","","","0.1085","0.1123","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232898","4.8979","0.0001","8.544","0.0002","15.4713","0.0004","98.108","0.001","92.81","0.002","94.784","0.002","637.52","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-Hydroxy-3-methoxybenzaldehyde‒nicotinamide (1/1)","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","PV2471","How, Fiona N.-F.; Amalina, M. S.; Khaledi, Hamid; Mohd Ali, Hapipah","4-Hydroxy-3-methoxybenzaldehyde‒nicotinamide (1/1)","Acta Crystallographica Section E","2011","67","12","o3168","","10.1107/S1600536811045648","","","0.71073","MoKα","","0.0549","0.0447","","","0.1047","0.1116","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232899","21.1089","0.0014","6.5584","0.0004","12.8766","0.0009","90","","105.874","0.001","90","","1714.7","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[diaquabis(μ~3~-1<i>H</i>-imidazole-4,5-dicarboxylato)(μ~2~- sulfato)diytterbium(III)]","","- C10 H8 N4 O14 S Yb2 -","- C10 H8 N4 O14 S Yb2 -","- C40 H32 N16 O56 S4 Yb8 -","4","0.5","PV2472","Zhu, Li-Cai","Poly[diaquabis(μ~3~-1<i>H</i>-imidazole-4,5-dicarboxylato)(μ~2~-sulfato)diytterbium(III)]","Acta Crystallographica Section E","2011","67","12","m1683","","10.1107/S1600536811045673","","","0.71073","MoKα","","0.0228","0.0196","","","0.045","0.0466","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232900","6.8096","0.0012","9.9343","0.0018","16.246","0.003","86.816","0.003","85.588","0.003","81.318","0.003","1082.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl 5-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxybenzylidene)-7-methyl-3-oxo- 2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C24 H22 N2 O6 S -","- C24 H22 N2 O6 S -","- C48 H44 N4 O12 S2 -","2","1","PV2473","Nagarajaiah, H.; Begum, Noor Shahina","Methyl 5-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2011","67","12","o3444","","10.1107/S1600536811048987","","","0.71073","MoKα","","0.0943","0.0685","","","0.1993","0.2789","","","","","","1.326","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232901","8.148","0.004","17.207","0.007","17.72","0.008","90","","103.29","0.01","90","","2417.9","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1<i>H</i>-benzotriazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)(2,2'- bipyridyl-κ^2^<i>N</i>,<i>N</i>)cadmium","","- C22 H16 Cd N8 O6 S2 -","- C22 H16 Cd N8 O6 S2 -","- C88 H64 Cd4 N32 O24 S8 -","4","0.5","PV2474","Zhu, Xiao-Hong; Cheng, Xiao-Chun","Bis(1<i>H</i>-benzotriazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium","Acta Crystallographica Section E","2011","67","12","m1699","","10.1107/S160053681104596X","","","0.71073","MoKα","","0.029","0.0277","","","0.0741","0.0749","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232902","7.5675","0.0016","10.238","0.002","11.974","0.002","79.852","0.002","77.948","0.003","84.092","0.003","890.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(1<i>H</i>-benzotriazole-7-sulfonato-κ<i>O</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium dihydrate","","- C36 H28 Cd N10 O8 S2 -","- C36 H28 Cd N10 O8 S2 -","- C36 H28 Cd N10 O8 S2 -","1","0.5","PV2475","Zhu, Xiao-Hong; Cheng, Xiao-Chun","Bis(1<i>H</i>-benzotriazole-7-sulfonato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium dihydrate","Acta Crystallographica Section E","2011","67","12","m1698","","10.1107/S1600536811045971","","","0.71073","MoKα","","0.0412","0.0379","","","0.0896","0.0919","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232903","13.219","0.002","8.8289","0.0017","13.506","0.002","90","","118.855","0.006","90","","1380.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(4-Bromophenyl)diazenyl]-2-ethoxyaniline","","- C14 H14 Br N3 O -","- C14 H14 Br N3 O -","- C56 H56 Br4 N12 O4 -","4","1","PV2476","Melardi, Mohammad Reza; Attar Gharamaleki, Jafar; Rezabeyk, Soheyla; Rofouei, Mohammad Kazem","4-[(4-Bromophenyl)diazenyl]-2-ethoxyaniline","Acta Crystallographica Section E","2011","67","12","o3396","","10.1107/S160053681104877X","","","0.71073","MoKα","","0.0875","0.0652","","","0.1738","0.1982","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232904","11.0926","0.0011","9.8735","0.001","17.4317","0.0015","90","","116.533","0.005","90","","1708.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua{μ~3~-5-[(pyridin-2-ylmethyl)amino]isophthalato- κ^5^<i>N</i>,<i>N</i>':<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^}cobalt(II)]","","- C14 H19 Co N2 O8.5 -","- C14 H12 Co N2 O5 -","- C56 H48 Co4 N8 O20 -","4","1","PV2477","Zhu, Xiao-Hong; Cheng, Xiao-Chun","Poly[aqua{μ~3~-5-[(pyridin-2-ylmethyl)amino]isophthalato-κ^5^<i>N</i>,<i>N</i>':<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^}cobalt(II)]","Acta Crystallographica Section E","2011","67","12","m1862","","10.1107/S1600536811050318","","","0.71073","MoKα","","0.0477","0.0446","","","0.1224","0.1236","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232905","9.956","0.002","11.624","0.002","21.31","0.004","90","","101.45","0.03","90","","2417.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4- bromophenyl)prop-2-en-1-one","","- C26 H23 Br3 N2 O -","- C26 H23 Br3 N2 O -","- C104 H92 Br12 N8 O4 -","4","1","PV2478","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(<i>E</i>)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3358","","10.1107/S1600536811048380","","","0.71073","MoKα","","0.1668","0.0686","","","0.066","0.0824","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232906","10.8111","0.0007","13.835","0.002","14.868","0.003","73.66","0.03","70.06","0.03","68.65","0.02","1915.4","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido[(4<i>E</i>,11<i>E</i>)-5,7,12,14-tetrabenzyl-7,14-dimethyl- 1,4,8,11-tetraazacyclotetradeca-4,11-diene]cobalt(III) perchlorate","","- C40 H48 Cl3 Co N4 O4 -","- C40 H48 Cl3 Co N4 O4 -","- C80 H96 Cl6 Co2 N8 O8 -","2","1","PV2479","Roy, Tapashi G.; Hazari, Saroj K. S.; Barua, Kanak K.; Ng, Seik Weng; Tiekink, Edward R. T.","Dichlorido[(4<i>E</i>,11<i>E</i>)-5,7,12,14-tetrabenzyl-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene]cobalt(III) perchlorate","Acta Crystallographica Section E","2011","67","12","m1722","m1723","10.1107/S1600536811046484","","","0.71073","MoKα","","0.051","0.0477","","","0.1395","0.1424","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232907","7.7159","0.0011","8.4559","0.0012","10.9742","0.0015","97.286","0.002","104.928","0.002","98.029","0.002","675.07","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-[(1<i>H</i>-Benzimidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","1","PV2480","Cheng, Xiao-Chun","5-[(1<i>H</i>-Benzimidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid","Acta Crystallographica Section E","2011","67","12","o3299","","10.1107/S1600536811047416","","","0.71073","MoKα","","0.0746","0.0417","","","0.087","0.0978","","","","","","0.838","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232908","8.415","0.003","8.458","0.003","8.722","0.003","80.758","0.005","75.88","0.004","88.791","0.005","594.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis{5-[4-(imidazol-1-yl-κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II)","","- C20 H22 Mn N12 O4 -","- C20 H22 Mn N12 O4 -","- C20 H22 Mn N12 O4 -","1","0.5","PV2481","Cheng, Xiao-Chun","Tetraaquabis{5-[4-(imidazol-1-yl-κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II)","Acta Crystallographica Section E","2011","67","12","m1757","","10.1107/S1600536811047428","","","0.71073","MoKα","","0.0357","0.033","","","0.0857","0.0881","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232909","14.5562","0.0019","25.903","0.003","8.9239","0.0012","90","","90","","90","","3364.7","0.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ- 4-sulfonatobenzotriazolido-κ^3^<i>N</i>^3^,<i>O</i>:<i>N</i>^1^]","","- C18 H11 N5 O3 S Zn -","- C18 H11 N5 O3 S Zn -","- C144 H88 N40 O24 S8 Zn8 -","8","1","PV2482","Cheng, Xiao-Chun","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-4-sulfonatobenzotriazolido-κ^3^<i>N</i>^3^,<i>O</i>:<i>N</i>^1^]","Acta Crystallographica Section E","2011","67","12","m1758","","10.1107/S160053681104743X","","","0.71073","MoKα","","0.0642","0.0453","","","0.1242","0.1472","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232910","9.9699","0.0015","11.8308","0.0018","8.1562","0.0012","90","","104.898","0.002","90","","929.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Chlorophenyl)-4-hydroxyfuran-2(5<i>H</i>)-one","","- C10 H7 Cl O3 -","- C10 H7 Cl O3 -","- C40 H28 Cl4 O12 -","4","1","PV2483","Xiao, Zhu-Ping; Yi, Li-Cheng; Li, Jia-Liang; Xiang, Kai-Shuang; Zhang, Bo","3-(2-Chlorophenyl)-4-hydroxyfuran-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","12","o3428","","10.1107/S1600536811048641","","","0.71073","MoKα","","0.0369","0.0339","","","0.1041","0.1076","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232911","12.4143","0.0003","19.244","0.005","17.503","0.005","90","","122.937","0.005","90","","3509.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxido-bis[tris(4,4,4-trifluoro-1-phenylacetylacetonato- κ^2^<i>O</i>,<i>O</i>')hafnium(IV)] dimethylformamide disolvate","","- C66 H52 F18 Hf2 N2 O16 -","- C66 H52 F18 Hf2 N2 O16 -","- C132 H104 F36 Hf4 N4 O32 -","2","0.5","PV2484","Viljoen, J. Augustinus; Visser, Hendrik G.; Roodt, Andreas","Di-μ-hydroxido-bis[tris(4,4,4-trifluoro-1-phenylacetylacetonato-κ^2^<i>O</i>,<i>O</i>')hafnium(IV)] dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","12","m1822","m1823","10.1107/S1600536811049543","","","0.71069","MoKα","","0.0468","0.0304","","","","0.072","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232912","8.5879","0.0003","13.7822","0.0006","11.0964","0.0005","90","","107.277","0.002","90","","1254.11","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-Bis(3-methoxybenzyl)-1,1'-(ethane-1,2-diyl)diimidazolium dibromide dihydrate","","- C24 H32 Br2 N4 O4 -","- C24 H32 Br2 N4 O4 -","- C48 H64 Br4 N8 O8 -","2","0.5","PV2485","Lee, Hon Man; Cheng, Pi-Yun","3,3'-Bis(3-methoxybenzyl)-1,1'-(ethane-1,2-diyl)diimidazolium dibromide dihydrate","Acta Crystallographica Section E","2011","67","12","o3464","","10.1107/S1600536811050240","","","0.71073","MoKα","","0.03","0.0226","","","0.0573","0.0593","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232913","12.4873","0.0002","8.8011","0.0001","15.4425","0.0002","90","","92.458","0.001","90","","1695.6","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-benzoyl-4-(4-methylphenyl)phthalazine","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","PV2486","Sakthivel, Karuppusamy; Srinivasan, Kannupal; Natarajan, Sampath","1-Benzoyl-4-(4-methylphenyl)phthalazine","Acta Crystallographica Section E","2011","67","12","o3497","","10.1107/S1600536811050641","","","0.71073","MoKα","","0.0617","0.0442","","","0.1174","0.1295","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232914","9.6059","0.0002","19.2236","0.0005","13.3772","0.0003","90","","112.905","0.001","90","","2275.46","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C29 H22 F2 O3 -","- C29 H22 F2 O3 -","- C116 H88 F8 O12 -","4","1","QK2026","Betz, Richard; Gerber, Thomas; Hosten, Eric; Samshuddin, S.; Narayana, Badiadka; Yathirajan, Hemmige S.","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3323","o3324","10.1107/S1600536811047696","","","0.71073","MoKα","","0.0534","0.0445","","","0.1157","0.1246","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232915","7.467","0.0015","16.769","0.003","14.301","0.003","90","","97.317","0.003","90","","1776.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{4-Dimethylamino-<i>N</i>'-[1-(2- oxidophenyl)ethylidene]benzohydrazidato}(methanolato)oxidovanadium(V)","","- C18 H20 N3 O4 V -","- C18 H20 N3 O4 V -","- C72 H80 N12 O16 V4 -","4","1","QM2035","Wang, Chen-Yi; Hu, Juan-Juan; Tu, Hai-Yu; Zhu, Pei-Fei; Sheng, Su-Jun","{4-Dimethylamino-<i>N</i>'-[1-(2-oxidophenyl)ethylidene]benzohydrazidato}(methanolato)oxidovanadium(V)","Acta Crystallographica Section E","2011","67","12","m1836","","10.1107/S1600536811050173","","","0.71073","MoKα","","0.1437","0.0832","","","0.1617","0.1851","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232916","12.296","0.002","16.359","0.003","6.969","0.001","90","","101.634","0.002","90","","1373","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Bromo-4-chloro-6-(cyclohexyliminomethyl)phenol","","- C13 H15 Br Cl N O -","- C13 H15 Br Cl N O -","- C52 H60 Br4 Cl4 N4 O4 -","4","1","QM2039","Wang, Dong-Yue; Meng, Xu-Feng; Ma, Jing-Jun","2-Bromo-4-chloro-6-(cyclohexyliminomethyl)phenol","Acta Crystallographica Section E","2011","67","12","o3150","","10.1107/S1600536811045053","","","0.71073","MoKα","","0.1217","0.0729","","","0.1939","0.2272","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232917","13.8808","0.0006","14.8951","0.0008","14.7517","0.0008","90","","111.754","0.002","90","","2832.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[((<i>E</i>)-{2-[(2-Nitrobenzyl)(2-{[(<i>E</i>)-(2-oxidonaphthalen-1- yl)methylidene]azaniumyl}ethyl)amino]ethyl}azaniumylidene)methyl]naphthalen-2- olate monohydrate","","- C33 H32 N4 O5 -","- C33 H32 N4 O5 -","- C132 H128 N16 O20 -","4","1","QM2040","Menati, Saeid; Amiri Rudbari, Hadi; Azadbakht, Reza; Bruno, Giuseppe","1-[((<i>E</i>)-{2-[(2-Nitrobenzyl)(2-{[(<i>E</i>)-(2-oxidonaphthalen-1-yl)methylidene]azaniumyl}ethyl)amino]ethyl}azaniumylidene)methyl]naphthalen-2-olate monohydrate","Acta Crystallographica Section E","2011","67","12","o3321","","10.1107/S1600536811047465","","","0.71073","MoKα","","0.0822","0.0583","","","0.1695","0.1945","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232918","8.6755","0.0002","18.286","0.0004","12.8206","0.0003","90","","96.007","0.001","90","","2022.69","0.08","90","0.5","90","0.5","101.3","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(5<i>R</i>,10<i>S</i>,15<i>R</i>)-<i>rel</i>-5,10,15-trimethyl-10,15- dihydro-5<i>H</i>-tribenzo[<i>a</i>,<i>f</i>,<i>k</i>]trindene","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","1","QM2041","Thomas, Kandace R.; Dhar, Raj K.; Fronczek, Frank R.; Watkins, Steven F.","(5<i>RS</i>,10<i>SR</i>,15<i>RS</i>)-Trimethyltruxene","Acta Crystallographica Section E","2011","67","12","o3494","","10.1107/S1600536811048616","","","0.71073","MoKα","","0.0894","0.0532","","","0.1383","0.1566","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232919","6.7754","0.0004","7.5482","0.0004","14.0467","0.0007","99.057","0.003","102.479","0.002","90.192","0.003","692.14","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(2-Ethoxyphenyl)-1-(3-nitrophenyl)triaz-1-ene","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C28 H28 N8 O6 -","2","1","QM2042","Melardi, Mohammad Reza; Ghannadan, Atefeh; Peyman, Mitra; Bruno, Giuseppe; Amiri Rudbari, Hadi","3-(2-Ethoxyphenyl)-1-(3-nitrophenyl)triaz-1-ene","Acta Crystallographica Section E","2011","67","12","o3485","","10.1107/S1600536811048781","","","0.71073","MoKα","","0.0465","0.0385","","","0.1029","0.1149","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232920","8.1062","0.0004","19.2907","0.0008","16.0959","0.0007","90","","102.072","0.002","90","","2461.32","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(<i>Z</i>)-1-({3-[(3-Aminopropyl)(2- nitrobenzyl)amino]propyl}iminomethyl)naphthalen-2-olato]copper(II) perchlorate","","- C24 H27 Cl Cu N4 O7 -","- C24 H27 Cl Cu N4 O7 -","- C96 H108 Cl4 Cu4 N16 O28 -","4","1","RK2297","Azadbakht, Reza; Amiri Rudbari, Hadi; Menati, Saeid; Bruno, Giuseppe","[(<i>Z</i>)-1-({3-[(3-Aminopropyl)(2-nitrobenzyl)amino]propyl}iminomethyl)naphthalen-2-olato]copper(II) perchlorate","Acta Crystallographica Section E","2011","67","12","m1748","","10.1107/S1600536811045752","","","0.71073","MoKα","","0.0447","0.0386","","","0.1117","0.1174","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232921","13.154","0.004","6.4599","0.0016","11.28","0.003","90","","111.222","0.006","90","","893.5","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis(trimethylsilyl)-2,2'-bipyridine","","- C16 H24 N2 Si2 -","- C16 H24 N2 Si2 -","- C32 H48 N4 Si4 -","2","0.5","RK2303","Zheng, Chang-Ge; Cao, Hua-Peng; Song, Yang","4,4'-Bis(trimethylsilyl)-2,2'-bipyridine","Acta Crystallographica Section E","2011","67","12","o3144","","10.1107/S1600536811043704","","","0.71075","MoKα","","0.0577","0.0457","","","0.1168","0.1247","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232922","11.1355","0.0011","19.5653","0.0019","7.9609","0.0008","90","","107.005","0.002","90","","1658.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(7a<i>R</i>*,12b<i>S</i>*)-8,12b-Dihydro-7a<i>H</i>- indeno[1',2':5,6][1,4]selenazino[2,3,4-<i>ij</i>]quinolin-13-ium hydrogen sulfate","","- C18 H15 N O4 S Se -","- C18 H15 N O4 S Se -","- C72 H60 N4 O16 S4 Se4 -","4","1","RK2313","Mammadova, Gunay Z.; Matsulevich, Zhanna V.; Borisova, Galina N.; Borisov, Alexander V.; Khrustalev, Victor N.","(7a<i>R</i>*,12b<i>S</i>*)-8,12b-Dihydro-7a<i>H</i>-indeno[1',2':5,6][1,4]selenazino[2,3,4-<i>ij</i>]quinolin-13-ium hydrogen sulfate","Acta Crystallographica Section E","2011","67","12","o3286","o3287","10.1107/S1600536811047167","","","0.71073","MoKα","","0.0716","0.0439","","","0.0989","0.1139","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232923","7.0953","0.0002","8.8847","0.0003","9.2212","0.0003","84.47","0.002","67.634","0.002","78.874","0.002","527.3","0.03","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]malononitrile","","- C11 H5 N3 O4 -","- C11 H5 N3 O4 -","- C22 H10 N6 O8 -","2","1","RK2314","Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","2-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]malononitrile","Acta Crystallographica Section E","2011","67","12","o3469","","10.1107/S1600536811049816","","","0.71073","MoKα","","0.061","0.0476","","","0.13","0.1422","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232924","14.458","0.007","10.187","0.005","10.67","0.005","90","","90","","90","","1571.5","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[2-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","","- C15 H21 N2 O4 -","- C15 H21 N2 O4 -","- C60 H84 N8 O16 -","4","1","RK2315","Jing, Lin-Lin; Ma, Hui-Ping; He, Lei; Fan, Peng-Cheng; Jia, Zheng-Ping","2-[2-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","Acta Crystallographica Section E","2011","67","12","o3503","","10.1107/S1600536811050860","","","0.71073","MoKα","","0.0572","0.0422","","","0.0976","0.1068","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232925","11.7509","0.0002","11.9846","0.0002","13.4898","0.0002","78.808","0.001","89.357","0.001","63.535","0.001","1662.2","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(2<i>H</i>-benzotriazol-2-yl)-4-methyl-6- (phenyliminomethyl-κ<i>N</i>)phenolato-κ<i>O</i>]palladium(II)","","- C40 H30 N8 O2 Pd -","- C40 H30 N8 O2 Pd -","- C80 H60 N16 O4 Pd2 -","2","1","RK2317","Su, Jing-Kai; Li, Chen-Yu; Ko, Bao-Tsan","Bis[2-(2<i>H</i>-benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl-κ<i>N</i>)phenolato-κ<i>O</i>]palladium(II)","Acta Crystallographica Section E","2011","67","12","m1831","","10.1107/S1600536811049555","","","0.71073","MoKα","","0.0361","0.0251","","","0.0628","0.0709","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232926","7.0706","0.0006","8.2939","0.0007","13.9856","0.0012","79.2","0.001","88.338","0.001","79.83","0.002","792.96","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(4,4'-bipyridine-κ<i>N</i>)bis(2,4,5-trifluoro-3- hydroxybenzoato-κ<i>O</i>^1^)manganese(II)","","- C34 H24 F6 Mn N4 O8 -","- C34 H24 F6 Mn N4 O8 -","- C34 H24 F6 Mn N4 O8 -","1","0.5","RN2092","Min, Chun-Gang; Yang, Xi-Kun","Diaquabis(4,4'-bipyridine-κ<i>N</i>)bis(2,4,5-trifluoro-3-hydroxybenzoato-κ<i>O</i>^1^)manganese(II)","Acta Crystallographica Section E","2011","67","12","m1826","","10.1107/S1600536811049610","","","0.71073","MoKα","","0.0527","0.0376","","","0.0786","0.0837","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232927","7.6467","0.0003","11.7315","0.0006","6.81","0.0003","91.874","0.004","94.465","0.003","105.933","0.003","584.72","0.05","293","2","293","2","","","","","","","Foote mine, Kings Mountain, North Carolina, USA","6","P -1","-P 1","2","Lithiomarsturite","Lithiomarsturite","Lithiomarsturite","- Ca2 H Li Mn2 O15 Si5 -","- Ca2 H Li Mn2 O15 Si5 -","- Ca4 H2 Li2 Mn4 O30 Si10 -","2","1","RU2015","Yang, Hexiong; Downs, Robert T.; Yang, Yongbo W.","Lithiomarsturite, LiCa~2~Mn~2~Si~5~O~14~(OH)","Acta Crystallographica Section E","2011","67","12","i73","i73","10.1107/S1600536811047581","","","0.71073","MoKα","","0.0481","0.0327","","","0.0726","0.0784","","","","","","1.027","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:40",""
"2232928","22.3143","0.001","22.7057","0.0011","13.4523","0.0006","90","","90","","90","","6815.8","0.5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Barium manganese(II) selenostannate(IV)","","- Ba Mn Se4 Sn -","- Ba Mn Se4 Sn -","- Ba32 Mn32 Se128 Sn32 -","32","2","RU2017","Assoud, Abdeljalil; Kuropatwa, Bryan A.; Kleinke, Holger","Barium manganese(II) selenostannate(IV), BaMnSnSe~4~","Acta Crystallographica Section E","2011","67","12","i72","","10.1107/S1600536811047283","","","0.71073","MoKα","","0.0445","0.0284","","","0.0688","0.0722","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232929","10.7738","0.0012","10.932","0.0013","11.2807","0.0013","111.135","0.002","95.926","0.002","90.424","0.002","1231.2","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","4-(2,4-Dichlorophenyl)-5,5-dimethyl-2-(3-silatranylpropylmino)- 1,3,2-dioxaphosphorinane 2-oxide","","- C20 H31 Cl2 N2 O6 P Si -","- C20 H31 Cl2 N2 O6 P Si -","- C40 H62 Cl4 N4 O12 P2 Si2 -","2","1","RZ2656","Liu, Zhe-Rong; Tan, Xiao-Jing; Wang, De-Jian; Wang, Yan","4-(2,4-Dichlorophenyl)-5,5-dimethyl-2-(3-silatranylpropylmino)-1,3,2-dioxaphosphorinane 2-oxide","Acta Crystallographica Section E","2011","67","12","o3279","","10.1107/S1600536811044928","","","0.71073","MoKα","","0.1037","0.0654","","","0.1634","0.1937","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232930","11.724","0.005","14.777","0.006","24.183","0.01","90","","102.254","0.005","90","","4094","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis(μ~4~- diphenylphosphinato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')bis(μ~2~- trifluoroacetato-κ^2^<i>O</i>:<i>O</i>')tetrasilver(I) acetonitrile disolvate","","- C82 H70 Ag4 F6 N2 O8 P6 -","- C82 H70 Ag4 F6 N2 O8 P6 -","- C164 H140 Ag8 F12 N4 O16 P12 -","2","0.5","RZ2658","Huang, Li-Li; Jia, Chen; Tang, Li-Ping; Jing, Bai; Deng, Qi-Hua","Bis[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis(μ~4~-diphenylphosphinato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')bis(μ~2~-trifluoroacetato-κ^2^<i>O</i>:<i>O</i>')tetrasilver(I) acetonitrile disolvate","Acta Crystallographica Section E","2011","67","12","m1677","m1678","10.1107/S1600536811045466","","","0.71073","MoKα","","0.0571","0.0455","","","0.1096","0.1167","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232931","8.786","0.002","9.277","0.002","9.667","0.002","82.064","0.004","78.058","0.004","83.324","0.004","760.4","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Bis(8-hydroxy-1-methylquinolin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II) dihydrate","","- C28 H24 N6 Ni O4 S4 -","- C28 H24 N6 Ni O4 S4 -","- C28 H24 N6 Ni O4 S4 -","1","0.5","RZ2659","Guan, Zhi-Heng; Jiang, Zhang; Wang, Fang-Ming","Bis(8-hydroxy-1-methylquinolin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II) dihydrate","Acta Crystallographica Section E","2011","67","12","m1661","","10.1107/S1600536811045430","","","0.71073","MoKα","","0.0476","0.0411","","","0.0944","0.0968","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232932","7.231","0.002","20.235","0.006","11.942","0.004","90","","98.03","0.006","90","","1730.2","0.9","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{5-Chloro-2-[(4-nitrobenzylidene)amino]phenyl}(phenyl)methanone","","- C20 H13 Cl N2 O3 -","- C20 H13 Cl N2 O3 -","- C80 H52 Cl4 N8 O12 -","4","1","RZ2660","Aslam, M.; Anis, I.; Afza, N.; Nelofar, A.; Yousuf, S.","{5-Chloro-2-[(4-nitrobenzylidene)amino]phenyl}(phenyl)methanone","Acta Crystallographica Section E","2011","67","12","o3215","","10.1107/S1600536811046162","","","0.71073","MoKα","","0.0836","0.0494","","","0.1104","0.1253","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232933","15.767","0.003","29.616","0.006","11.383","0.002","90","","90.88","0.03","90","","5314.7","1.7","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato- κ^2^<i>O</i>,<i>O</i>')holmium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","","- C24 H72 Ag Ho N14 O10 P4 S4 W -","- C24 H72 Ag Ho N14 O10 P4 S4 W -","- C96 H288 Ag4 Ho4 N56 O40 P16 S16 W4 -","4","1","RZ2661","Zeng, Juxiang; Tang, Guodong; Wei, Changmei","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')holmium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","Acta Crystallographica Section E","2011","67","12","m1724","m1725","10.1107/S1600536811046460","","","0.71073","MoKα","","0.0342","0.0309","","","0.0697","0.0725","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232934","11.8285","0.0009","9.1223","0.0007","14.7952","0.0009","90","","93.698","0.005","90","","1593.1","0.2","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-diamine‒quinoxaline (2/1)","","- C40 H34 N10 -","- C40 H34 N10 -","- C80 H68 N20 -","2","0.5","RZ2662","Wicher, Barbara; Gdaniec, Maria","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-diamine‒quinoxaline (2/1)","Acta Crystallographica Section E","2011","67","12","o3254","","10.1107/S1600536811046356","","","0.71073","MoKα","","0.0604","0.0446","","","0.1105","0.1214","","","","","","0.974","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232935","12.3293","0.0011","14.3519","0.0016","12.2865","0.0013","90","","94.324","0.001","90","","2167.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-3-methylphenylseleninato- κ^2^<i>O</i>:<i>O</i>']","","- C25 H22 O2 Se Sn -","- C25 H22 O2 Se Sn -","- C100 H88 O8 Se4 Sn4 -","4","1","RZ2663","Ru, Jing; Zhang, Rufen","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-3-methylphenylseleninato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","12","m1809","","10.1107/S1600536811049245","","","0.71073","MoKα","","0.0646","0.0376","","","0.0813","0.0966","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232936","5.6505","0.0002","9.9204","0.0003","23.0561","0.0006","90","","90","","90","","1292.41","0.07","100","0.1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-2-(4-methoxybenzenesulfonamido)butanoic acid","","- C11 H15 N O6 S -","- C11 H15 N O6 S -","- C44 H60 N4 O24 S4 -","4","1","RZ2664","Sinha, Suman; Osman, Hasnah; Wahab, Habibah A.; Hemamalini, Madhukar; Fun, Hoong-Kun","3-Hydroxy-2-(4-methoxybenzenesulfonamido)butanoic acid","Acta Crystallographica Section E","2011","67","12","o3275","","10.1107/S1600536811046502","","","0.71073","MoKα","","0.0301","0.0283","","","0.0712","0.0725","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232937","19.105","0.004","8.5062","0.0017","17.399","0.004","90","","99.39","0.03","90","","2789.6","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichloridobis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)","","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","- C128 H112 Cl8 Cu4 N16 -","4","0.5","RZ2665","Hossaini Sadr, Moayad; Soltani, Behzad","Dichloridobis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)","Acta Crystallographica Section E","2011","67","12","m1894","","10.1107/S1600536811050690","","","0.71073","MoKα","","0.0964","0.0744","","","0.1903","0.2146","","","","","","1.107","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232938","9.2224","0.0001","22.8371","0.0002","8.876","0.0001","90","","117.936","0.002","90","","1651.56","0.04","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-diamine‒naphthalene (2/1)","","- C42 H36 N8 -","- C42 H36 N8 -","- C84 H72 N16 -","2","0.5","RZ2666","Wicher, Barbara; Gdaniec, Maria","<i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)benzene-1,4-diamine‒naphthalene (2/1)","Acta Crystallographica Section E","2011","67","12","o3300","","10.1107/S1600536811047519","","","1.54184","CuKα","","0.0372","0.033","","","0.0891","0.0914","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232939","7.3904","0.0009","10.7933","0.0014","10.8999","0.0014","73.12","0.002","87.919","0.003","82.953","0.003","825.7","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","2-[<i>N</i>-(2-benzoyl-4-chlorophenyl)carboximidoyl]phenol","{5-Chloro-2-[(2-hydroxybenzylidene)amino]phenyl}(phenyl)methanone","","- C20 H14 Cl N O2 -","- C20 H14 Cl N O2 -","- C40 H28 Cl2 N2 O4 -","2","1","RZ2667","Aslam, M.; Anis, I.; Afza, N.; Nelofar, A.; Yousuf, S.","{5-Chloro-2-[(2-hydroxybenzylidene)amino]phenyl}(phenyl)methanone","Acta Crystallographica Section E","2011","67","12","o3442","o3443","10.1107/S1600536811048690","","","0.71073","MoKα","","0.0481","0.0379","","","0.1008","0.1093","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232940","18.294","0.003","18.294","0.003","28.738","0.006","90","","90","","120","","8329","3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","4-[(2-Hydroxynaphthalen-1-yl)(morpholin-4-yl)methyl]benzonitrile","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C396 H360 N36 O36 -","18","1","RZ2668","Chen, Xin-Yuan; Zhao, Min-Min; Qian, Xu; Hou, Shao-Gang","4-[(2-Hydroxynaphthalen-1-yl)(morpholin-4-yl)methyl]benzonitrile","Acta Crystallographica Section E","2011","67","12","o3484","","10.1107/S160053681104997X","","","0.71073","MoKα","","0.1514","0.0805","","","0.1786","0.2101","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232941","10.0368","0.0012","8.7865","0.0009","20.684","0.002","90","","102.363","0.002","90","","1781.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2,4-dioxo-5,5-diphenylimidazolidinido-κ<i>N</i>^3^)bis(propane-1,3- diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","","- C36 H42 Co N8 O4 -","- C36 H42 Co N8 O4 -","- C72 H84 Co2 N16 O8 -","2","0.5","RZ2670","Hu, Xilan; Jiang, Qing; Wang, Daqi; Liu, Haifeng","Bis(2,4-dioxo-5,5-diphenylimidazolidinido-κ<i>N</i>^3^)bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2011","67","12","m1885","","10.1107/S1600536811050252","","","0.71073","MoKα","","0.0495","0.0363","","","0.0847","0.0965","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232942","12.311","0.002","8.1229","0.0015","29.956","0.006","90","","90","","90","","2995.6","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-5-({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)pyridine","","- C15 H12 Cl N3 O2 S -","- C15 H12 Cl N3 O2 S -","- C120 H96 Cl8 N24 O16 S8 -","8","1","RZ2672","Ji, Hao; Xu, Xu-Dong","2-Chloro-5-({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)pyridine","Acta Crystallographica Section E","2011","67","12","o3490","","10.1107/S1600536811050410","","","0.71073","MoKα","","0.1257","0.0599","","","0.1207","0.1474","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232943","13.8508","0.0008","11.0612","0.0005","11.0301","0.0006","90","","104.508","0.006","90","","1636","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[2,2-dimethyl-<i>N</i>-(pyridin-2-yl)propanamide-κ<i>N</i>^1^]copper(II)}(<i>Cu</i>—<i>Cu</i>)","","- C28 H40 Cu2 N4 O10 -","- C28 H40 Cu2 N4 O10 -","- C56 H80 Cu4 N8 O20 -","2","0.5","SJ5186","Asem, Samuel; Buchanan, Robert M.; Mashuta, Mark S.","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[2,2-dimethyl-<i>N</i>-(pyridin-2-yl)propanamide-κ<i>N</i>^1^]copper(II)}(<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section E","2011","67","12","m1892","m1893","10.1107/S1600536811050124","","","0.71073","MoKα","","0.0432","0.0345","","","0.0895","0.0938","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232944","6.7945","0.0001","30.8791","0.0007","7.8564","0.0002","90","","102.057","0.001","90","","1611.97","0.06","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[2-(4-methoxyphenyl)ethyl]-3-(thiophen-2-ylmethyl)-1<i>H</i>-1,2,4-triazol- 5(4<i>H</i>)-one monohydrate","","- C16 H19 N3 O3 S -","- C16 H19 N3 O3 S -","- C64 H76 N12 O12 S4 -","4","1","SU2321","Gurumoorthy, Anuradha; Gopalsamy, Vasuki; Ramamurthi, K.; Ünlüer, Dilek; Çelik, Fatih","4-[2-(4-Methoxyphenyl)ethyl]-3-(thiophen-2-ylmethyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2011","67","12","o3188","o3189","10.1107/S1600536811045508","","","0.71073","MoKα","","0.0407","0.0363","","","0.0862","0.0897","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232945","9.559","0.002","10.406","0.002","14.087","0.003","83.39","0.003","78.711","0.003","63.463","0.003","1228.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Tetraethylammonium 2-[bis(4-hydroxyphenyl)methyl]benzoate","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C56 H70 N2 O8 -","2","1","SU2325","Li, Xiaofei; Tong, Yan; Quah, Ching Kheng","Tetraethylammonium 2-[bis(4-hydroxyphenyl)methyl]benzoate","Acta Crystallographica Section E","2011","67","12","o3148","","10.1107/S1600536811045016","","","0.71073","MoKα","","0.0702","0.0513","","","0.1221","0.1362","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232946","9.078","0.005","13.043","0.005","17.755","0.005","90","","90","","90","","2102.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Isopropyltriphenylphosphonium bromide monohydrate","","- C21 H24 Br O P -","- C21 H24 Br O P -","- C84 H96 Br4 O4 P4 -","4","1","SU2327","Wang, Hai; Zhang, Xi-Man; Li, Ping; Chen, Hong-Yu","Isopropyltriphenylphosphonium bromide monohydrate","Acta Crystallographica Section E","2011","67","12","o3149","","10.1107/S1600536811044849","","","0.71069","MoKα","","0.0679","0.0486","","","0.1306","0.1403","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232947","13.9226","0.0004","6.7977","0.0002","22.4531","0.0007","90","","101.874","0.001","90","","2079.53","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-phenylprop-2-en-1-one","","- C28 H20 F2 O2 -","- C28 H20 F2 O2 -","- C112 H80 F8 O8 -","4","1","SU2328","Betz, Richard; Gerber, Thomas; Hosten, Eric; Samshuddin, S.; Narayana, Badiadka; Yathirajan, Hemmige S.","(<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3159","o3160","10.1107/S1600536811045375","","","0.71073","MoKα","","0.0607","0.0368","","","0.0874","0.0942","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232948","8.8355","0.0012","10.0972","0.0014","12.1466","0.0017","72.571","0.003","77.694","0.003","75.7","0.003","990.4","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","{4,6-Bis[(<i>E</i>)-1-methyl-2-(pyridin-2-ylmethylidene)hydrazinyl]pyrimidine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridomanganese(II)","","- C18 H18 Cl2 Mn N8 -","- C18 H18 Cl2 Mn N8 -","- C36 H36 Cl4 Mn2 N16 -","2","1","SU2330","Marzec, Bartosz; Mahimaidoss, Mariyatra; Zhang, Lei; McCabe, Thomas; Schmitt, Wolfgang","{4,6-Bis[(<i>E</i>)-1-methyl-2-(pyridin-2-ylmethylidene)hydrazinyl]pyrimidine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridomanganese(II)","Acta Crystallographica Section E","2011","67","12","m1676","","10.1107/S1600536811043352","","","0.71073","MoKα","","0.0494","0.0388","","","0.0848","0.0884","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232949","7.702","0.0015","14.678","0.003","9.2912","0.0019","90","","96.22","0.03","90","","1044.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis{5-carboxy-2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>- imidazole-4-carboxylato}zinc","","- C16 H16 N10 O10 Zn -","- C16 H16 N10 O10 Zn -","- C32 H32 N20 O20 Zn2 -","2","0.5","SU2331","Hao, Jing-Hao; Wang, Jian-Ling","Diaquabis{5-carboxy-2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-imidazole-4-carboxylato}zinc","Acta Crystallographica Section E","2011","67","12","m1645","m1646","10.1107/S160053681104387X","","","0.71073","MoKα","","0.0548","0.0454","","","0.0898","0.0953","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232950","6.9881","0.0001","11.0108","0.0002","34.9733","0.0007","90","","90","","90","","2691.01","0.08","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20<i>S</i>*,24<i>S</i>*)-25-Hydroxy-20,24-epoxy-<i>A</i>-homo-4-oxadammaran- 3-one","","- C30 H50 O4 -","- C30 H50 O4 -","- C120 H200 O16 -","4","1","SU2332","Mahmod, Ilya Iryani; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Ismail, Intan Safinar","(20<i>S</i>*,24<i>S</i>*)-25-Hydroxy-20,24-epoxy-<i>A</i>-homo-4-oxadammaran-3-one (Chrysura) isolated from the leaves of <i>Walsura chrysogyne</i>","Acta Crystallographica Section E","2011","67","12","o3296","","10.1107/S1600536811047337","","","1.54178","CuKα","","0.0919","0.0917","","","0.2328","0.2328","","","","","","1.214","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232951","8.697","0.0003","8.8385","0.0003","13.3918","0.0004","105.84","0.003","104.453","0.003","99.713","0.002","927.47","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1-[2-(2,5-Dichlorobenzyloxy)-2-phenylethyl]-1<i>H</i>-benzotriazole","","- C21 H17 Cl2 N3 O -","- C21 H17 Cl2 N3 O -","- C42 H34 Cl4 N6 O2 -","2","1","SU2333","Özel Güven, Özden; Bayraktar, Meral; Coles, Simon J.; Hökelek, Tuncer","1-[2-(2,5-Dichlorobenzyloxy)-2-phenylethyl]-1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2011","67","12","o3177","o3178","10.1107/S1600536811044783","","","0.71073","MoKα","","0.0615","0.0433","","","0.1119","0.1199","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232952","12.991","0.008","4.808","0.003","23.757","0.011","90","","120.6","0.02","90","","1277.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2-Chlorobenzylidene)amino]isoindoline-1,3-dione","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","SU2334","Xu, Hua-Jie; Jiang, Xue-Yue; Sheng, Liang-Quan; Liu, Zhao-Di","(<i>E</i>)-2-[(2-Chlorobenzylidene)amino]isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","12","o3184","","10.1107/S1600536811044898","","","0.71073","MoKα","","0.0502","0.0356","","","0.0946","0.1042","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232953","10.6574","0.0004","20.8073","0.0008","6.4015","0.0002","90","","105.673","0.002","90","","1366.76","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(3-methylbut-2-enyl)-<i>N</i>,<i>N</i>'-(1,4- phenylene)dibenzenesulfonamide","","- C28 H32 N2 O4 S2 -","- C28 H32 N2 O4 S2 -","- C56 H64 N4 O8 S4 -","2","0.5","SU2338","Ejaz; Khan, Islam Ullah; Sheikh, Tahir Ali; Harrison, William T. A.","<i>N</i>,<i>N</i>'-Bis(3-methylbut-2-enyl)-<i>N</i>,<i>N</i>'-(1,4-phenylene)dibenzenesulfonamide","Acta Crystallographica Section E","2011","67","12","o3281","","10.1107/S1600536811045661","","","0.71073","MoKα","","0.0612","0.0391","","","0.0935","0.1044","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232954","7.153","0.002","15.503","0.004","13.446","0.004","90","","100.763","0.005","90","","1464.8","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylideneamino]isoindoline-1,3-dione","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","2","SU2339","Xu, Hua-Jie; Su, Peng-Fei; Liu, Zhao-Di","2-[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylideneamino]isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","12","o3165","","10.1107/S1600536811045569","","","0.71073","MoKα","","0.0631","0.0427","","","0.0977","0.1089","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232955","8.47","0.0001","13.1515","0.0002","20.706","0.0002","90","","90","","90","","2306.51","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>)-1-(4-Chlorophenyl)-2-[(<i>S</i>)-2-nitro-1-phenylethyl]- 3-phenylpentan-1-one","","- C25 H24 Cl N O3 -","- C25 H24 Cl N O3 -","- C100 H96 Cl4 N4 O12 -","4","1","SU2340","Duo, De-Long; Ni, Cheng-Yan; Wen, Qing-Song","(2<i>R</i>,3<i>R</i>)-1-(4-Chlorophenyl)-2-[(<i>S</i>)-2-nitro-1-phenylethyl]-3-phenylpentan-1-one","Acta Crystallographica Section E","2011","67","12","o3495","","10.1107/S1600536811050306","","","1.54184","CuKα","","0.0358","0.0349","","","0.0982","0.0993","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232956","8.2744","0.0002","11.3398","0.0002","15.6481","0.0004","87.777","0.001","84.443","0.001","84.257","0.001","1453.4","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Diallyl-2,2',5,5'-tetrachloro-<i>N</i>,<i>N</i>'- [1,3-phenylenebis(methylene)]dibenzenesulfonamide","","- C26 H24 Cl4 N2 O4 S2 -","- C26 H24 Cl4 N2 O4 S2 -","- C52 H48 Cl8 N4 O8 S4 -","2","1","SU2341","Sheikh, Tahir Ali; Ejaz; Khan, Islam Ullah; Harrison, William T. A.","<i>N</i>,<i>N</i>'-Diallyl-2,2',5,5'-tetrachloro-<i>N</i>,<i>N</i>'-[1,3-phenylenebis(methylene)]dibenzenesulfonamide","Acta Crystallographica Section E","2011","67","12","o3280","","10.1107/S1600536811045478","","","0.71073","MoKα","","0.0666","0.0443","","","0.1085","0.1215","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232957","8.574","0.0017","9.845","0.002","11.392","0.002","86.08","0.03","75.79","0.03","87.39","0.03","929.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,6-Dibromo-4-(2-hydroxyethyl)phenol","","- C8 H8 Br2 O2 -","- C8 H8 Br2 O2 -","- C32 H32 Br8 O8 -","4","2","SU2342","Lu, Ding-qiang; Chai, Hong; Ling, Xiu-quan; Chen, Jia; Wang, Jia-li","2,6-Dibromo-4-(2-hydroxyethyl)phenol","Acta Crystallographica Section E","2011","67","12","o3263","o3264","10.1107/S1600536811046538","","","0.71073","MoKα","","0.1263","0.0665","","","0.1352","0.161","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232958","24.3331","0.0004","6.5209","0.0001","30.5663","0.0005","90","","95.025","0.001","90","","4831.43","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,10,15,20-Tetrakis(1-methylpyridinium-4-yl)porphyrin tetraiodide tetrahydrate","","- C44 H46 I4 N8 O4 -","- C44 H38 I4 N8 O4 -","- C176 H152 I16 N32 O16 -","4","1","TK5003","Lourenço, Leandro M. O.; Fernandes, José A.; Neves, Maria G. P. M. S.; Cavaleiro, José A. S.; Tomé, João P. C.; Almeida Paz, Filipe A.","5,10,15,20-Tetrakis(1-methylpyridinium-4-yl)porphyrin tetraiodide tetrahydrate","Acta Crystallographica Section E","2011","67","12","o3157","o3158","10.1107/S1600536811043844","","","1.54178","CuKα","","0.0456","0.0436","","","0.1093","0.1104","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232959","17.0146","0.0004","9.2193","0.0002","15.3843","0.0004","90","","90","","90","","2413.22","0.1","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Hydroxy-2-methyl-1-phenylindolin-3-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","TK5007","Pevec, Andrej; Kafka, Stanislav; Košmrlj, Janez","2-Hydroxy-2-methyl-1-phenylindolin-3-one","Acta Crystallographica Section E","2011","67","12","o3228","o3229","10.1107/S1600536811045302","","","0.71073","MoKα","","0.0721","0.0434","","","0.102","0.1155","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232960","14.6229","0.0006","15.8759","0.0006","15.0284","0.0005","90","","115.907","0.002","90","","3138.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5''-(4-Methoxybenzylidene)-7'-(4-methoxyphenyl)-1''-methyl-5',6',7',7a'- tetrahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole- 6',3''-piperidine]-2,4''-dione","","- C37 H34 N2 O4 S -","- C37 H34 N2 O4 S -","- C148 H136 N8 O16 S4 -","4","1","TK5009","Suresh, J.; Vishnupriya, R.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha","5''-(4-Methoxybenzylidene)-7'-(4-methoxyphenyl)-1''-methyl-5',6',7',7a'-tetrahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''-piperidine]-2,4''-dione","Acta Crystallographica Section E","2011","67","12","o3210","","10.1107/S1600536811045934","","","0.71073","MoKα","","0.089","0.0511","","","0.1258","0.1541","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232961","6.5539","0.0008","11.5029","0.0015","19.524","0.003","90","","90","","90","","1471.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Dicyclohexylimidazolidine-2,4,5-trione","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","TK5010","Talhi, Oualid; Fernandes, José A.; Pinto, Diana C. G. A.; Silva, Artur M. S.; Almeida Paz, Filipe A.","1,3-Dicyclohexylimidazolidine-2,4,5-trione","Acta Crystallographica Section E","2011","67","12","o3243","","10.1107/S1600536811046253","","","0.71073","MoKα","","0.1495","0.1056","","","0.2824","0.3201","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232962","9.1253","0.0003","28.9515","0.0015","10.0376","0.0011","90","","98.3238","0.0012","90","","2623.9","0.3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Undecacarbonyl-μ~2~-methanethiolato-μ~2~-[(pyridin-2-yl)methanethiolato]- μ~4~-sulfido-tetrairon(II)(2 <i>Fe</i>—<i>Fe</i>)","","- C18 H9 Fe4 N O11 S3 -","- C18 H9 Fe4 N O11 S3 -","- C72 H36 Fe16 N4 O44 S12 -","4","1","TK5011","Shi, Yao-Cheng; Lai, Liang; Shen, Wen-Bin; Yuan, Li-Min","Undecacarbonyl-μ~2~-methanethiolato-μ~2~-[(pyridin-2-yl)methanethiolato]-μ~4~-sulfido-tetrairon(II)(2 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2011","67","12","m1763","","10.1107/S1600536811047751","","","0.71073","MoKα","","0.0677","0.049","","","0.0873","0.0932","","","","","","1.185","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232963","9.441","0.002","10.237","0.003","11.023","0.002","75.1","0.02","85.413","0.019","84.11","0.02","1022.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]pyridine-3-carbohydrazide","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","2","TK5012","Emmanuel, Jessy; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]pyridine-3-carbohydrazide","Acta Crystallographica Section E","2011","67","12","o3267","","10.1107/S1600536811046381","","","0.71073","MoKα","","0.0563","0.0398","","","0.1095","0.1169","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232964","16.9997","0.0007","12.7444","0.0006","18.4609","0.0008","90","","99.582","0.002","90","","3943.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Oxido-bis[chlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')dioxidomolybdenum(VI)] 0.2-hydrate","","- C36 H48.4 Cl2 Mo2 N4 O5.2 -","- C36 H48 Cl2 Mo2 N4 O5.2 -","- C144 H192 Cl8 Mo8 N16 O20.8 -","4","1","TK5013","Gomes, Ana C.; Fernandes, José A.; Gamelas, Carla A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","μ-Oxido-bis[chlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dioxidomolybdenum(VI)] 0.2-hydrate","Acta Crystallographica Section E","2011","67","12","m1738","m1739","10.1107/S1600536811046952","","","0.71073","MoKα","","0.0733","0.0395","","","0.0759","0.0858","","","","","","1.023","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2232965","8.4123","0.0017","13.1124","0.0011","16.2327","0.0014","90","","103.931","0.003","90","","1737.9","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1-ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one","","- C20 H19 Fe N O2 -","- C20 H19 Fe N O2 -","- C80 H76 Fe4 N4 O8 -","4","1","TK5015","Zhou, Jie; Ji, Yuan-Yuan; Shi, Yao-Cheng; Shen, Wen-Bin; Yuan, Li-Min","Monoclinic form of (<i>Z</i>)-1-ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one","Acta Crystallographica Section E","2011","67","12","m1762","","10.1107/S1600536811047775","","","0.71073","MoKα","","0.1362","0.0482","","","0.0842","0.1063","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232966","15.4973","0.0004","5.9631","0.0001","14.4526","0.0003","90","","102.661","0.001","90","","1303.12","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-Chlorophenyl)(hydroxy)methylidene]isochromane-1,3-dione","","- C16 H9 Cl O4 -","- C16 H9 Cl O4 -","- C64 H36 Cl4 O16 -","4","1","TK5016","Abou, Akoun; Djandé, Abdoulaye; Sessouma, Bintou; Saba, Adama; Kakou-Yao, Rita","4-[(4-Chlorophenyl)(hydroxy)methylidene]isochromane-1,3-dione","Acta Crystallographica Section E","2011","67","12","o3349","","10.1107/S160053681104829X","","","0.71073","MoKα","","0.0657","0.0532","","","0.1481","0.1631","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232967","16.1038","0.0011","5.7008","0.0004","17.2621","0.0011","90","","91.497","0.004","90","","1584.2","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Propylammonium naphthoyltrifluoroacetonate","Propylammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate","","- C17 H18 F3 N O2 -","- C17 H18 F3 N O2 -","- C68 H72 F12 N4 O8 -","4","1","TK5018","Fernandes, José A.; Bruno, Sofia M.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","Propylammonium 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate","Acta Crystallographica Section E","2011","67","12","o3384","o3385","10.1107/S1600536811048318","","","0.71073","MoKα","","0.0873","0.0504","","","0.1036","0.1173","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232968","7.3603","0.0001","10.3121","0.0002","11.059","0.0002","111.753","0.001","92.864","0.001","101.623","0.001","756.42","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Fluorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 F O3 S -","- C17 H15 F O3 S -","- C34 H30 F2 O6 S2 -","2","1","TK5019","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-(3-Fluorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2011","67","12","o3359","","10.1107/S1600536811048525","","","0.71073","MoKα","","0.0397","0.0359","","","0.0936","0.0963","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232969","16.5255","0.0008","14.6588","0.0007","17.0536","0.0008","90","","90","","90","","4131.1","0.3","171","2","171","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Acetonitrile-κ<i>N</i>)chloridobis[2-(pyridin-2-yl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C24 H19 Cl Ir N3 -","- C24 H19 Cl Ir N3 -","- C192 H152 Cl8 Ir8 N24 -","8","1","TK5023","Blasberg, Florian; Bats, Jan W.; Wagner, Matthias; Lerner, Hans-Wolfram","(Acetonitrile-κ<i>N</i>)chloridobis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2011","67","12","m1837","m1838","10.1107/S1600536811049373","","","0.71073","MoKα","","0.0424","0.0259","","","0.0374","0.0399","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232970","14.4202","0.0008","16.3205","0.0009","17.1122","0.001","90.144","0.003","103.862","0.002","107.547","0.002","3715.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tris(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')molybdenum(II) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxidohexamolybdate(VI) acetonitrile tetrasolvate","","- C62 H84 Mo7 N10 O19 -","- C62 H84 Mo7 N10 O19 -","- C124 H168 Mo14 N20 O38 -","2","1","TK5024","Amarante, Tatiana R.; Fernandes, José A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","Tris(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')molybdenum(II) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxidohexamolybdate(VI) acetonitrile tetrasolvate","Acta Crystallographica Section E","2011","67","12","m1828","m1829","10.1107/S1600536811049385","","","0.71073","MoKα","","0.0656","0.048","","","0.1347","0.1486","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232971","9.427","0.0015","23.68","0.004","8.8554","0.0014","90","","101.572","0.003","90","","1936.6","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dichloridobis(4-phenylpyridine-κ<i>N</i>)palladium(II)","","- C22 H18 Cl2 N2 Pd -","- C22 H18 Cl2 N2 Pd -","- C88 H72 Cl8 N8 Pd4 -","4","0.5","TK5025","Ha, Kwang","<i>trans</i>-Dichloridobis(4-phenylpyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section E","2011","67","12","m1895","","10.1107/S160053681105063X","","","0.71073","MoKα","","0.0453","0.0291","","","0.0676","0.0773","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232972","9.661","0.0002","10.29","0.0002","17.7271","0.0003","84.437","0.002","81.536","0.002","76.165","0.002","1689.02","0.06","160","1","160","1","","","","","","","","3","P -1","-P 1","2","benzimidazole","1-(4-Methylbenzyl)-2-(4-methylphenyl)-1<i>H</i>-benzimidazole","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","2","TK5028","Rosepriya, S.; Thiruvalluvar, A.; Jayamoorthy, K.; Jayabharathi, J.; Linden, Anthony","1-(4-Methylbenzyl)-2-(4-methylphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2011","67","12","o3519","","10.1107/S160053681105077X","","","1.54184","CuKα","","0.0419","0.0394","","","0.1017","0.1042","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232973","7.3427","0.0003","11.5194","0.0005","14.6331","0.0006","90","","100.495","0.001","90","","1217.01","0.09","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ~11~-4,6-dihydroxybenzene-1,3-disulfonato)dipotassium]","","- C6 H6 K2 O9 S2 -","- C6 H6 K2 O9 S2 -","- C24 H24 K8 O36 S8 -","4","1","VM2127","Xie, Zhu-Lin; Lai, Wu-Leng; Yang, Rui-Qing; Xie, Yong-Rong","Poly[aqua(μ~11~-4,6-dihydroxybenzene-1,3-disulfonato)dipotassium]","Acta Crystallographica Section E","2011","67","12","m1745","","10.1107/S1600536811047210","","","0.71073","MoKα","","0.0263","0.0239","","","0.0693","0.0705","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232974","11.6418","0.0001","9.8549","0.0001","17.4291","0.0001","90","","90.3853","0.0007","90","","1999.57","0.03","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(2-amino-1,3-thiazolium) hydrogen sulfate sulfate monohydrate","","- C9 H18 N6 O9 S5 -","- C9 H18 N6 O9 S5 -","- C36 H72 N24 O36 S20 -","4","1","VM2128","Matulková, Irena; Němec, Ivan; Cihelka, Jaroslav; Pojarová, Michaela; Dušek, Michal","Tris(2-amino-1,3-thiazolium) hydrogen sulfate sulfate monohydrate","Acta Crystallographica Section E","2011","67","12","o3216","o3217","10.1107/S1600536811046010","","","1.54178","CuKα","","0.0299","0.029","","","0.0748","0.0754","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232975","5.93","0.0012","17.634","0.004","22.343","0.005","100.38","0.03","95.13","0.03","99.32","0.03","2250.8","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Bromophenyl)-3,6-di-<i>tert</i>-butyl-9<i>H</i>-carbazole","","- C26 H28 Br N -","- C26 H28 Br N -","- C104 H112 Br4 N4 -","4","2","VM2131","Zhang, Jing-Ya; Zhang, Wei-Yi","9-(4-Bromophenyl)-3,6-di-<i>tert</i>-butyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2011","67","12","o3307","","10.1107/S1600536811047386","","","0.71073","MoKα","","0.1723","0.0757","","","0.1327","0.1596","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232976","11.4481","0.0004","29.4169","0.0013","6.412","0.0003","90","","99.669","0.003","90","","2128.68","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorobenzoyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl 4-chlorobenzoate","","- C24 H16 Cl2 N2 O3 -","- C24 H16 Cl2 N2 O3 -","- C96 H64 Cl8 N8 O12 -","4","1","VM2134","Li, Xiao-Xia; Chen, Zhong","4-(4-Chlorobenzoyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl 4-chlorobenzoate","Acta Crystallographica Section E","2011","67","12","o3404","","10.1107/S1600536811048136","","","0.71073","MoKα","","0.1176","0.0449","","","0.0736","0.0931","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232977","34.49","0.003","8.851","0.0007","17.8941","0.0016","90","","90.912","0.001","90","","5461.9","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ~2~-1-(2-carboxybenzoyl)thiosemicarbazide(3-)]hexapyridinetrinickel(II) pyridine monosolvate monohydrate","","- C53 H51 N13 Ni3 O8 S2 -","- C53 H51 N13 Ni3 O8 S2 -","- C212 H204 N52 Ni12 O32 S8 -","4","0.5","VM2135","Cao, Fan; Li, Leilei; Li, Dacheng","Bis[μ~2~-1-(2-carboxybenzoyl)thiosemicarbazide(3{-})]hexapyridinetrinickel(II) pyridine monosolvate monohydrate","Acta Crystallographica Section E","2011","67","12","m1803","","10.1107/S1600536811048367","","","0.71073","MoKα","","0.1168","0.0493","","","0.0915","0.1053","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232978","9.4947","0.0019","13.569","0.003","10.174","0.002","90","","114.56","0.03","90","","1192.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis{μ-1-[(1<i>H</i>-benzimidazol-1-yl)methyl]-1<i>H</i>-1,2,4- triazole}disilver(I) dinitrate","","- C20 H18 Ag2 N12 O6 -","- C20 H18 Ag2 N12 O6 -","- C40 H36 Ag4 N24 O12 -","2","0.5","VM2136","Wang, Yan-zhi; Zhang, Jun; Yang, Huai-xia; Meng, Xiang-ru","A new Ag^I^ complex based on 1-[(1<i>H</i>-benzimidazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2011","67","12","m1788","","10.1107/S1600536811048501","","","0.71073","MoKα","","0.049","0.0425","","","0.0911","0.095","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232979","7.8982","0.0016","5.7107","0.0011","21.503","0.005","90","","109.82","0.03","90","","912.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole)","","- C24 H14 N4 O2 -","- C24 H14 N4 O2 -","- C48 H28 N8 O4 -","2","0.5","VM2137","Wang, Haitao; Jia, Xiaoshi; Qu, Songnan; Bai, Binglian; Li, Min","5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole)","Acta Crystallographica Section E","2011","67","12","o3360","","10.1107/S1600536811048513","","","0.71073","MoKα","","0.0571","0.0386","","","0.0993","0.1058","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232980","15.227","0.003","8.8651","0.0018","18.069","0.004","90","","110.34","0.03","90","","2287","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]- di-μ-chlorido-[(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]-di-μ- chlorido-[(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]-di-μ-chlorido- [bis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]]","","- C15 H24 Cd2 Cl4 N6 -","- C15 H24 Cd2 Cl4 N6 -","- C60 H96 Cd8 Cl16 N24 -","4","1","VN2017","Xu, Qian; Zhu, Run-Qiang","<i>catena</i>-Poly[[bis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]-di-μ-chlorido-[(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]-di-μ-chlorido-[(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]-di-μ-chlorido-[bis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]]","Acta Crystallographica Section E","2011","67","12","m1850","m1851","10.1107/S160053681104894X","","","0.71073","MoKα","","0.0336","0.028","","","0.0572","0.0587","","","","","","1.168","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232981","17.556","0.003","10.9541","0.0015","14.903","0.002","90","","113.354","0.003","90","","2631.2","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis{3-[2-(methylsulfonyl)pyrimidin-4-yl]pyridinium} tetrachloridocadmium","","- C20 H20 Cd Cl4 N6 O4 S2 -","- C20 H20 Cd Cl4 N6 O4 S2 -","- C80 H80 Cd4 Cl16 N24 O16 S8 -","4","0.5","VN2019","Hu, Dahua; Liu, Xia","Bis{3-[2-(methylsulfonyl)pyrimidin-4-yl]pyridinium} tetrachloridocadmium","Acta Crystallographica Section E","2011","67","12","m1813","","10.1107/S1600536811045995","","","0.71073","MoKα","","0.0599","0.039","","","0.0655","0.0697","","","","","","0.895","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2232982","32.132","0.008","8.361","0.002","34.836","0.009","90","","90","","90","","9359","4","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[pentakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)tris(5-phenyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')pentacopper(I)]","","- C53 H36 Cu5 N11 -","- C53 H36 Cu5 N11 -","- C424 H288 Cu40 N88 -","8","1","VN2020","Cui, Shuxin; Zuo, Minghui; Zhang, Jingping; Zhao, Yulong; Tan, Rongxin; Liu, Shujuan; Su, Shuangyue","Poly[pentakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)tris(5-phenyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')pentacopper(I)]","Acta Crystallographica Section E","2011","67","12","m1706","m1707","10.1107/S1600536811045910","","","0.71073","MoKα","","0.1284","0.0633","","","0.103","0.1235","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232983","10.8718","0.0005","12.7103","0.0007","13.3218","0.0007","100.625","0.003","103.687","0.003","111.996","0.003","1580.41","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dicyclohexylammonium bis(hydrogen phenylphosphonato)trimethylstannate(IV)","","- C27 H45 N O6 P2 Sn -","- C27 H45 N O6 P2 Sn -","- C54 H90 N2 O12 P4 Sn2 -","2","1","VN2021","Diop, Tidiane; Diop, Libasse; Diop, Cheikh A. K.; Molloy, Kieran C.; Kociok-Köhn, Gabriele","Dicyclohexylammonium trimethylbis(hydrogen phenylphosphonato)stannate(IV)","Acta Crystallographica Section E","2011","67","12","m1872","m1873","10.1107/S1600536811049567","","","0.71073","MoKα","","0.0615","0.0473","","","0.1146","0.1237","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232984","21.102","0.004","9.487","0.003","7.226","0.002","90","","90","","90","","1446.6","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate","","- C9 H13 Cr N2 O11 -","- C9 H13 Cr N2 O11 -","- C36 H52 Cr4 N8 O44 -","4","1","WM2545","Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed","4-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate","Acta Crystallographica Section E","2011","67","12","m1648","m1649","10.1107/S1600536811044837","","","0.71073","MoKα","","0.0312","0.0253","","","0.063","0.0659","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232985","8.5478","0.0016","8.7207","0.0016","6.2961","0.0012","90","","90","","90","","469.33","0.15","293","2","293","2","","","","","","","Langban, Filipstad, Varmland, Sweden","4","P n n m","-P 2 2n","58","Eveite","dimanganese(II) arsenate(V) hydroxide","Eveite","- As H Mn2 O5 -","- As H Mn2 O5 -","- As4 H4 Mn8 O20 -","4","0.5","WM2546","Yang, Yongbo W.; Stevenson, Ryan A.; Siegel, Alesha M.; Downs, Gordon W.","Redetermination of eveite, Mn~2~AsO~4~(OH), based on single-crystal X-ray diffraction data","Acta Crystallographica Section E","2011","67","12","i68","i68","10.1107/S1600536811044266","","","0.71073","MoKα","","0.0227","0.0206","","","0.0542","0.0553","","","","","","1.087","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:40",""
"2232986","7.835","0.0004","12.3151","0.0008","21.0591","0.0013","90.995","0.002","99.591","0.002","101.22","0.002","1962.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Carbonylchloridobis[tris(4-methoxyphenyl)phosphane-κ<i>P</i>] rhodium(I)","","- C43 H42 Cl O7 P2 Rh -","- C43 H42 Cl O7 P2 Rh -","- C86 H84 Cl2 O14 P4 Rh2 -","2","1","WM2548","Warsink, Stefan; Roodt, Andreas","<i>trans</i>-Carbonylchloridobis[tris(4-methoxyphenyl)phosphane-κ<i>P</i>]rhodium(I)","Acta Crystallographica Section E","2011","67","12","m1695","m1696","10.1107/S1600536811046150","","","0.71073","MoKα","","0.0911","0.052","","","","0.1444","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232987","11.4784","0.0004","8.201","0.0003","7.3799","0.0003","90","","90","","90","","694.7","0.05","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Zirconium Lanthanum Sulfide","Zirconium(IV) dilanthanum(III) pentasulfide","","- La2 S5 Zr -","- La2 S5 Zr -","- La8 S20 Zr4 -","4","0.5","WM2549","Raw, Adam D.; Ibers, James A.","Zirconium(IV) dilanthanum(III) pentasulfide","Acta Crystallographica Section E","2011","67","12","i70","","10.1107/S1600536811045193","","","0.71073","MoKα","","0.0174","0.0169","","","0.056","0.0563","","","","","","2.514","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232988","11.412","0.005","9.519","0.004","15.768","0.006","90","","104.332","0.005","90","","1659.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>O</i>-Phenyl (<i>tert</i>-butylamido)(<i>p</i>-tolylamido)phosphinate","","- C17 H23 N2 O2 P -","- C17 H23 N2 O2 P -","- C68 H92 N8 O8 P4 -","4","1","WM2550","Pourayoubi, Mehrdad; Rheingold, Arnold L.; Chen, Chao; Karimi Ahmadabad, Fatemeh; Tarahhomi, Atekeh","<i>O</i>-Phenyl (<i>tert</i>-butylamido)(<i>p</i>-tolylamido)phosphinate","Acta Crystallographica Section E","2011","67","12","o3405","o3406","10.1107/S1600536811048537","","","0.71073","MoKα","","0.1395","0.0886","","","0.1873","0.2028","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232989","10.7333","0.0002","28.9077","0.0005","14.3276","0.0003","90","","108.274","0.001","90","","4221.3","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis[μ-3-(3-hydroxyphenyl)propenoato]bis{aqua(2,2'-bipyridine)[3-(3-hydroxyphenyl)propenoato]neodymium(III)} 2,2'-bipyridine disolvate dihydrate","","- C94 H78 N8 Nd2 O20 -","- C94 H78 N8 Nd2 O20 -","- C188 H156 N16 Nd4 O40 -","2","0.5","WM2552","Guo, Jing-Ke; Wen, Yi-Hang","Tetrakis[μ-3-(3-hydroxyphenyl)propenoato]bis{aqua(2,2'-bipyridine)[3-(3-hydroxyphenyl)propenoato]neodymium(III)} 2,2'-bipyridine disolvate dihydrate","Acta Crystallographica Section E","2011","67","12","m1907","m1908","10.1107/S1600536811050707","","","0.71073","MoKα","","","0.0452","","","0.0714","0.0828","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232990","6.8326","0.0012","15.137","0.003","10.689","0.003","90","","95.664","0.013","90","","1100.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido{<i>N</i>'-[(pyridin-2-yl)methylidene-κ<i>N</i>]acetohydrazide- κ^2^<i>N</i>',<i>O</i>}copper(II)","","- C8 H9 Cl2 Cu N3 O -","- C8 H9 Cl2 Cu N3 O -","- C32 H36 Cl8 Cu4 N12 O4 -","4","1","WM2553","Datta, Amitabha; Sheu, Shiann-Cherng; Liu, Pei-Hsin; Huang, Jui-Hsien","Dichlorido{<i>N</i>'-[(pyridin-2-yl)methylidene-κ<i>N</i>]acetohydrazide-κ^2^<i>N</i>',<i>O</i>}copper(II)","Acta Crystallographica Section E","2011","67","12","m1852","","10.1107/S1600536811049671","","","0.71073","MoKα","","0.0348","0.0244","","","0.0664","0.07","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232991","8.4105","0.0005","9.35","0.0006","11.1693","0.0007","108.489","0.001","92.826","0.001","116.606","0.001","725.58","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Bis[μ-<i>N</i>-(pyridin-2-ylmethyl)pyridin-2-amine- κ^2^<i>N</i>:<i>N</i>']disilver(I) bis(trifluoromethanesulfonate)","","- C24 H22 Ag2 F6 N6 O6 S2 -","- C24 H22 Ag2 F6 N6 O6 S2 -","- C24 H22 Ag2 F6 N6 O6 S2 -","1","0.5","WM2556","Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min","Bis[μ-<i>N</i>-(pyridin-2-ylmethyl)pyridin-2-amine-κ^2^<i>N</i>:<i>N</i>']disilver(I) bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2011","67","12","m1769","m1770","10.1107/S1600536811047908","","","0.71073","MoKα","","0.0232","0.022","","","0.0577","0.0584","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232992","8.598","0.003","10.156","0.003","13.909","0.004","93.091","0.006","104.402","0.006","98.262","0.006","1159.1","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Aquabis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')iodidomanganese(II) iodide","","- C20 H20 I2 Mn N6 O -","- C20 H20 I2 Mn N6 O -","- C40 H40 I4 Mn2 N12 O2 -","2","1","WM2558","Ha, Kwang","<i>cis</i>-Aquabis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')iodidomanganese(II) iodide","Acta Crystallographica Section E","2011","67","12","m1751","","10.1107/S1600536811047349","","","0.71073","MoKα","","0.0834","0.0499","","","0.1055","0.134","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232993","3.9443","0.0004","3.9443","0.0004","16.2836","0.0017","90","","90","","90","","253.33","0.04","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","uranium phosphide selenide","","- P Se U -","- P Se U -","- P4 Se4 U4 -","4","0.125","WM2560","Oh, George N.; Ibers, James A.","The β-polymorph of uranium phosphide selenide","Acta Crystallographica Section E","2011","67","12","i75","","10.1107/S1600536811049592","","","0.71073","MoKα","","0.0241","0.0241","","","0.0522","0.0522","","","","","","1.312","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232994","15.5222","0.0006","14.1865","0.0007","10.0762","0.0004","90","","124.454","0.003","90","","1829.61","0.15","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Tetrakis(3-cyanopyridine-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)cobalt(II) 1,4-dioxane disolvate","","- C34 H32 Co N10 O4 S2 -","- C34 H32 Co N10 O4 S2 -","- C68 H64 Co2 N20 O8 S4 -","2","0.25","WM2564","Diehr, Stephan; Wöhlert, Susanne; Boeckmann, Jan; Näther, Christian","Tetrakis(3-cyanopyridine-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)cobalt(II) 1,4-dioxane disolvate","Acta Crystallographica Section E","2011","67","12","m1898","","10.1107/S1600536811051087","","","0.71073","MoKα","","0.0531","0.0438","","","0.0943","0.0979","","","","","","1.166","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232995","7.2216","0.0014","17.181","0.003","16.374","0.003","90","","96.34","0.03","90","","2019.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(diiodidocadmium)-μ-{1-[(1<i>H</i>-benzimidazol- 2-yl)methyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>:<i>N</i>'}] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]","","- C14 H17 Cd I2 N5 O -","- C14 H17 Cd I2 N5 O -","- C56 H68 Cd4 I8 N20 O4 -","4","1","WM2569","Liu, Bingtao; Zhao, Lei; Li, Ting; Meng, Xiangru","<i>catena</i>-Poly[[(diiodidocadmium)-μ-{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>:<i>N</i>'}] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]","Acta Crystallographica Section E","2011","67","12","m1901","","10.1107/S1600536811050823","","","0.71073","MoKα","","0.0401","0.0345","","","0.0686","0.0713","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232996","7.8935","0.0006","12.9087","0.0007","15.9055","0.0008","90","","104.214","0.005","90","","1571.07","0.17","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theophylline","1,3-dimethyl-7<i>H</i>-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C56 H64 N32 O16 -","8","2","WN2455","Zhang, Shuo; Fischer, Andreas","A monoclinic polymorph of theophylline","Acta Crystallographica Section E","2011","67","12","o3357","","10.1107/S1600536811047532","","","0.71073","MoKα","","0.09","0.048","","","0.11","0.129","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232997","5.601","0.005","8.269","0.005","17.118","0.005","90","","96.371","0.005","90","","787.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Carboxyanilinium chloride","","- C7 H8 Cl N O2 -","- C7 H8 Cl N O2 -","- C28 H32 Cl4 N4 O8 -","4","1","WN2458","Han, Li-Jun; Yang, Shu-Ping; Tao, Xin; Ma, Yuan-Feng","4-Carboxyanilinium chloride","Acta Crystallographica Section E","2011","67","12","o3247","","10.1107/S1600536811046721","","","0.71073","MoKα","","0.0573","0.0544","","","0.1898","0.1921","","","","","","1.255","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232998","8.7801","0.0006","10.4544","0.0006","12.1998","0.0007","91.842","0.004","95.492","0.004","108.096","0.004","1057.28","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,3-Bis(2-anilino-2-oxoethyl)-1<i>H</i>-imidazol-3-ium chloride acetonitrile monosolvate","","- C21 H22 Cl N5 O2 -","- C21 H22 Cl N5 O2 -","- C42 H44 Cl2 N10 O4 -","2","1","WN2459","Liao, Chuang-Yi; Lee, Hon Man","1,3-Bis(2-anilino-2-oxoethyl)-1<i>H</i>-imidazol-3-ium chloride acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","12","o3362","","10.1107/S1600536811048410","","","0.71073","MoKα","","0.0732","0.0479","","","0.1189","0.1288","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232999","9.7124","0.0004","13.9401","0.0007","16.3729","0.0008","90","","90","","90","","2216.76","0.18","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,9<i>R</i>,10<i>R</i>, 11<i>S</i>,13<i>S</i>,14<i>S</i>,16<i>S</i>,17<i>R</i>)-<i>N</i>-methyl- 8,14-dihydroxy-1,16-trimethoxy-4-(methoxymethylene)aconitane","","- C24 H39 N O5 -","- C24 H39 N O5 -","- C96 H156 N4 O20 -","4","1","XU5344","Lei, Jun; Luo, Ya-Jun; Bian, Qing-Quan; Wang, Xiong-Qing","Talatisamine, a C~19~-diterpenoid alkaloid from Chinese traditional herbal `Chuanwu'","Acta Crystallographica Section E","2011","67","12","o3145","o3146","10.1107/S1600536811044242","","","0.7107","MoKα","","0.0592","0.0439","","","0.0889","0.0967","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233000","39.151","0.003","10.71","0.0007","12.7446","0.0009","90","","106.113","0.002","90","","5134","0.6","183","2","183","2","","","","","","","","7","C 1 2 1","C 2y","5","","Di-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)- 1κ^4^<i>N</i>,3κ^4^<i>N</i>-bis(perchlorato-2κ^2^<i>O</i>,<i>O</i>')- 2-sodium-1,3-dizinc perchlorate","","- C36 H77 Cl3 N8 Na O16 Zn2 -","- C36 H77 Cl3 N8 Na O16 Zn2 -","- C144 H308 Cl12 N32 Na4 O64 Zn8 -","4","1","XU5351","Ou, Guang-Chuan; Ng, Seik Weng","Di-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)-1κ^4^<i>N</i>,3κ^4^<i>N</i>-bis(perchlorato-2κ^2^<i>O</i>,<i>O</i>')-2-sodium-1,3-dizinc perchlorate","Acta Crystallographica Section E","2011","67","12","m1664","","10.1107/S1600536811045363","","","0.71073","MoKα","","0.0977","0.062","","","0.1475","0.1785","","","","","","1.124","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233001","12.3604","0.0017","17.341","0.003","21.101","0.003","90","","90","","90","","4522.8","1.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","9-(2,5-Dimethylphenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","","- C24 H20 F3 N O5 S -","- C24 H20 F3 N O5 S -","- C192 H160 F24 N8 O40 S8 -","8","1","XU5358","Trzybiński, Damian; Krzymiński, Karol; Błażejowski, Jerzy","9-(2,5-Dimethylphenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","Acta Crystallographica Section E","2011","67","12","o3205","o3206","10.1107/S1600536811045090","","","0.71073","MoKα","","0.137","0.0606","","","0.1484","0.1845","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233002","8.64","0.005","5.684","0.003","23.157","0.013","90","","99.102","0.006","90","","1122.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-3-(pyridin-3-yl)-1,2,4- triazolido-κ<i>N</i>^1^]cadmium","","- C22 H18 Cd N12 O2 -","- C22 H18 Cd N12 O2 -","- C44 H36 Cd2 N24 O4 -","2","0.5","XU5363","Yang, Jing-Jing; Zhao, Jun","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-3-(pyridin-3-yl)-1,2,4-triazolido-κ<i>N</i>^1^]cadmium","Acta Crystallographica Section E","2011","67","12","m1690","","10.1107/S1600536811045545","","","0.71073","MoKα","","0.0387","0.0318","","","0.0771","0.0811","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233003","17.81","0.005","47.447","0.009","7.4063","0.0015","90","","90","","90","","6259","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[(4,4'-bipyridine-κ<i>N</i>)[μ~3~-(<i>S</i>)-2-hydroxybutanedioato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^:<i>O</i>^4'^]zinc] dihydrate]","","- C14 H16 N2 O7 Zn -","- C14 H16 N2 O7 Zn -","- C224 H256 N32 O112 Zn16 -","16","1","XU5364","Lu, Yu-Kun; Liu, Jian; Diao, Cheng-Lin; Lü, Ren-Qing; Liu, Yun-Qi","Poly[[(4,4'-bipyridine-κ<i>N</i>)[μ~3~-(<i>S</i>)-2-hydroxybutanedioato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^:<i>O</i>^4'^]zinc] dihydrate]","Acta Crystallographica Section E","2011","67","12","m1684","m1685","10.1107/S1600536811045788","","","0.71073","MoKα","","0.0585","0.0441","","","0.0809","0.0869","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233004","11.085","0.003","16.642","0.004","11.862","0.003","90","","98.997","0.003","90","","2161.3","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(piperazine-1,4-diium) hexachloridobismuthate(III) chloride monohydrate","","- C8 H26 Bi Cl7 N4 O -","- C8 H26 Bi Cl7 N4 O -","- C32 H104 Bi4 Cl28 N16 O4 -","4","1","XU5366","Gao, Yu-Hua; Liu, Xiao-Jia; Sun, Lei; Le, Wen-Jun","Bis(piperazine-1,4-diium) hexachloridobismuthate(III) chloride monohydrate","Acta Crystallographica Section E","2011","67","12","m1688","","10.1107/S1600536811045594","","","0.71073","MoKα","","0.0391","0.027","","","0.0575","0.0609","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233005","10.074","0.0015","18.151","0.004","4.1562","0.001","90","","90","","90","","760","0.3","298","2","298","2","","","","","","","","3","A m a 2","A 2 -2a","40","","2-Phenyl-1<i>H</i>-imidazole","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","0.5","XU5367","Mehdizadeh Barforoush, Maryam; Naderi, Soheila; Ghanbarpour, Ali Reza; Azhdari Tehrani, Alireza; Khavasi, Hamid Reza","2-Phenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","12","o3248","","10.1107/S160053681104699X","","","0.71073","MoKα","","0.1423","0.0562","","","","0.0945","","","","","","0.979","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233006","6.1019","0.0004","10.7078","0.0006","11.3928","0.0007","65.173","0.005","84.768","0.005","73.9","0.005","648.82","0.08","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,4-Tetrahydro-1,4-methanoanthracene-6,7-dicarbonitrile","","- C17 H12 N2 -","- C17 H12 N2 -","- C34 H24 N4 -","2","1","XU5368","Chen, Kew-Yu; Chang, Ming-Jen; Fang, Tzu-Chien; Luo, Ming-Hui; Tsai, Hsing-Yang","<i>rac</i>-1,2,3,4-Tetrahydro-1,4-methanoanthracene-6,7-dicarbonitrile","Acta Crystallographica Section E","2011","67","12","o3312","","10.1107/S1600536811047611","","","0.71073","MoKα","","0.077","0.0407","","","0.0943","0.1024","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233007","21.913","0.003","9.1956","0.0014","15.106","0.002","90","","101.756","0.003","90","","2980.1","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Diaquabis(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) bis(perchlorate) nitromethane disolvate monohydrate","","- C18 H24 Cl2 Mn N10 O15 -","- C18 H24 Cl2 Mn N10 O15 -","- C72 H96 Cl8 Mn4 N40 O60 -","4","0.5","XU5372","Ha, Kwang","<i>cis</i>-Diaquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) bis(perchlorate) nitromethane disolvate monohydrate","Acta Crystallographica Section E","2011","67","12","m1679","m1680","10.1107/S1600536811045612","","","0.71073","MoKα","","0.0977","0.0592","","","0.1625","0.1992","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233008","12.4562","0.0006","10.0341","0.0005","14.8999","0.0007","90","","111.98","0.003","90","","1726.93","0.15","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Hydroxy-4-methyl-8-(3-methylbenzoyl)-2<i>H</i>-chromen-2-one ethanol monosolvate","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","XU5373","Yang, Shu-Ping; Han, Li-Jun; Chen, Xiao-Yun; Gao, Zhuan","7-Hydroxy-4-methyl-8-(3-methylbenzoyl)-2<i>H</i>-chromen-2-one ethanol monosolvate","Acta Crystallographica Section E","2011","67","12","o3253","","10.1107/S1600536811046630","","","0.71073","MoKα","","0.1085","0.057","","","0.1419","0.1882","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233009","10.6238","0.001","13.6271","0.0012","33.318","0.003","90","","90","","90","","4823.5","0.8","298","2","298","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Hexaaquacobalt(II) bis(5-acetyl-2-hydroxybenzoate) dihydrate","","- C18 H30 Co O16 -","- C18 H30 Co O16 -","- C144 H240 Co8 O128 -","8","0.5","XU5375","Han, Li-Jun; Yang, Shu-Ping; Fu, Lin-Lin; Gao, Hai-Lei","Hexaaquacobalt(II) bis(5-acetyl-2-hydroxybenzoate) dihydrate","Acta Crystallographica Section E","2011","67","12","m1733","","10.1107/S1600536811046678","","","0.71073","MoKα","","0.0475","0.0383","","","0.1039","0.1098","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233010","6.4614","0.0008","6.6844","0.0008","14.0796","0.0017","89.735","0.002","85.266","0.002","73.135","0.002","579.85","0.12","295","","295","","","","","","","","","5","P -1","-P 1","2","","Poly[[hexaaqua(μ~2~-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(μ~3~-pyridine-2,4- dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^4^) dilanthanum(III)] monohydrate]","","- C16 H20 La2 N2 O19 -","- C16 H20 La2 N2 O19 -","- C16 H20 La2 N2 O19 -","1","0.5","XU5376","Shen, Fwu Ming; Lush, Shie Fu","Poly[[hexaaqua(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(μ~3~-pyridine-2,4-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^4^)dilanthanum(III)] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1731","m1732","10.1107/S160053681104668X","","","0.71073","MoKα","","0.0377","0.0324","","","0.0903","0.0929","","","","","","1.088","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233011","11.6548","0.0012","11.6548","","13.9171","0.0015","90","","90","","90","","1890.4","0.3","113","2","113","2","","","","","","","","4","I 41","I 4bw","80","","<i>rac</i>-<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-(1,1'-binaphthyl- 2,2'-diyl)diformamide","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","0.5","XU5377","Zeng, Jing; Ng, Seik Weng","<i>rac</i>-<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-(1,1'-binaphthyl-2,2'-diyl)diformamide","Acta Crystallographica Section E","2011","67","12","o3227","","10.1107/S160053681104640X","","","0.7107","MoKα","","0.039","0.0375","","","0.0996","0.1009","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233012","13.9011","0.0014","17.769","0.002","10.712","0.001","90","","104.081","0.002","90","","2566.5","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4-fluorobenzyl-κ<i>C</i>)bis(3-methylsulfanyl-1,2,4-thiadiazole-5- thiolato-κ^2^<i>N</i>^4^,<i>S</i>^5^)tin(IV)","","- C20 H18 F2 N4 S6 Sn -","- C20 H18 F2 N4 S6 Sn -","- C80 H72 F8 N16 S24 Sn4 -","4","0.5","XU5378","Deng, Ai-Xia; Xie, Qian; Teng, Mou-Yong; Fu, Guo-Jia","Bis(4-fluorobenzyl-κ<i>C</i>)bis(3-methylsulfanyl-1,2,4-thiadiazole-5-thiolato-κ^2^<i>N</i>^4^,<i>S</i>^5^)tin(IV)","Acta Crystallographica Section E","2011","67","12","m1735","","10.1107/S1600536811046654","","","0.71073","MoKα","","0.0311","0.025","","","0.0632","0.0702","","","","","","1.147","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233013","13.1704","0.0001","7.182","0.0002","5.7975","0.0005","90","","101.904","0.001","90","","536.59","0.05","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Piperazine-1,4-diium diacetate","","- C8 H18 N2 O4 -","- C8 H18 N2 O4 -","- C16 H36 N4 O8 -","2","0.25","XU5380","Hou, Shao-Gang","Piperazine-1,4-diium diacetate","Acta Crystallographica Section E","2011","67","12","o3292","","10.1107/S1600536811047441","","","0.71073","MoKα","","0.0519","0.0476","","","0.1373","0.1403","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233014","13.064","0.006","19.324","0.009","5.1989","0.0017","90","","90","","90","","1312.5","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[μ~2~-aqua-aqua-μ~5~-naphthalene-2,7-disulfonato-strontium]","","- C10 H10 O8 S2 Sr -","- C10 H10 O8 S2 Sr -","- C40 H40 O32 S8 Sr4 -","4","1","XU5381","Gao, Shan; Ng, Seik Weng","Poly[μ~2~-aqua-aqua-μ~5~-naphthalene-2,7-disulfonato-strontium]","Acta Crystallographica Section E","2011","67","12","m1787","","10.1107/S1600536811047313","","","0.71073","MoKα","","0.0327","0.0277","","","0.0682","0.0705","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233015","7.1067","0.0016","14.08","0.004","16.745","0.006","90","","90","","90","","1675.5","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[tetraaqua(μ~3~-naphthalene-1,6-disulfonato- κ^4^<i>O</i>^1^:<i>O</i>^6^,<i>O</i>^6'^:<i>O</i>^6''^)strontium] monohydrate]","","- C10 H16 O11 S2 Sr -","- C10 H16 O11 S2 Sr -","- C40 H64 O44 S8 Sr4 -","4","1","XU5382","Gao, Shan; Ng, Seik Weng","Poly[[tetraaqua(μ~3~-naphthalene-1,6-disulfonato-κ^4^<i>O</i>^1^:<i>O</i>^6^,<i>O</i>^6'^:<i>O</i>^6''^)strontium(II)] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1767","m1768","10.1107/S1600536811047593","","","0.71073","MoKα","","0.028","0.0244","","","0.0553","0.0565","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233016","5.8625","0.0004","9.361","0.0007","18.4058","0.0013","90","","95.208","0.002","90","","1005.92","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(Pyrimidin-2-ylamino)methyl]phenol","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","XU5383","Xu, Jing; Gao, Shan; Ng, Seik Weng","2-[(Pyrimidin-2-ylamino)methyl]phenol","Acta Crystallographica Section E","2011","67","12","o3258","","10.1107/S1600536811046848","","","0.71073","MoKα","","0.0658","0.0397","","","0.115","0.1489","","","","","","1.121","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233017","5.8386","0.0011","13.399","0.003","13.169","0.003","90","","90.519","0.006","90","","1030.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(Pyridin-3-ylamino)methyl]phenol","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","XU5384","Xu, Jing; Gao, Shan; Ng, Seik Weng","2-[(Pyridin-3-ylamino)methyl]phenol","Acta Crystallographica Section E","2011","67","12","o3259","","10.1107/S160053681104685X","","","0.71073","MoKα","","0.0558","0.0466","","","0.1287","0.1371","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233018","8.198","0.003","8.504","0.003","9.644","0.003","90.213","0.004","97.761","0.004","111.686","0.004","618","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","8-Acetyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl acetate","","- C14 H12 O5 -","- C14 H12 O5 -","- C28 H24 O10 -","2","1","XU5385","Yang, Shu-Ping; Han, Li-Jun; He, Xin-Ran; Chen, Li-Juan","8-Acetyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl acetate","Acta Crystallographica Section E","2011","67","12","o3382","","10.1107/S1600536811048835","","","0.71073","MoKα","","0.0696","0.0478","","","0.1347","0.1497","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233019","14.6573","0.0003","4.165","0.0001","17.4566","0.0003","90","","102.659","0.001","90","","1039.78","0.04","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Bromo-6-nitro-1-(prop-2-ynyl)-1<i>H</i>-indazole","","- C10 H6 Br N3 O2 -","- C10 H6 Br N3 O2 -","- C40 H24 Br4 N12 O8 -","4","1","XU5386","El Brahmi, Nabil; Benchidmi, Mohamed; Essassi, El Mokhtar; Ladeira, Sonia; Ng, Seik Weng","3-Bromo-6-nitro-1-(prop-2-ynyl)-1<i>H</i>-indazole","Acta Crystallographica Section E","2011","67","12","o3260","","10.1107/S1600536811046927","","","0.71073","MoKα","","0.0498","0.0278","","","0.069","0.0793","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233020","21.6379","0.0008","6.5889","0.0002","24.7793","0.0008","90","","108.015","0.001","90","","3359.59","0.19","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Tetrakis[diamminesilver(I)] bis(2-hydroxy-5-methylbenzene-1,3-disulfonate) monohydrate","","- C14 H38 Ag4 N8 O15 S4 -","- C14 H38 Ag4 N8 O15 S4 -","- C56 H152 Ag16 N32 O60 S16 -","4","0.5","XU5387","Zhang, Li-Wei; Gao, Shan; Ng, Seik Weng","Tetrakis[diamminesilver(I)] bis(2-hydroxy-5-methylbenzene-1,3-disulfonate) monohydrate","Acta Crystallographica Section E","2011","67","12","m1780","","10.1107/S1600536811048124","","","0.71073","MoKα","","0.0413","0.0365","","","0.1001","0.1039","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233021","6.629","0.0009","12.4888","0.0017","18.166","0.002","109.922","0.012","95.811","0.012","90.199","0.012","1405.5","0.3","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","[3-Bromomethyl-1-(4-methylphenylsulfonyl)azetidin-3-yl]methanol","","- C12 H16 Br N O3 S -","- C12 H16 Br N O3 S -","- C48 H64 Br4 N4 O12 S4 -","4","2","XU5388","Guo, Xiao-Qiang; Zheng, Hu; Qi, Qing-Rong","[3-Bromomethyl-1-(4-methylphenylsulfonyl)azetidin-3-yl]methanol","Acta Crystallographica Section E","2011","67","12","o3363","","10.1107/S1600536811048392","","","0.7107","MoKα","","0.0986","0.0434","","","0.0644","0.0846","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233022","10.159","0.002","10.413","0.002","11.27","0.002","79.03","0.03","69.06","0.03","78.49","0.03","1081.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium 4-methylbenzenesulfonate","","- C24 H31 N O4 S -","- C24 H31 N O4 S -","- C48 H62 N2 O8 S2 -","2","1","XU5389","Hou, Shao-Gang","<i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","12","o3383","","10.1107/S1600536811048860","","","0.71073","MoKα","","0.0809","0.0551","","","0.1352","0.1565","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233023","8.1423","0.0003","8.1423","0.0003","27.6814","0.0018","90","","90","","90","","1835.2","0.15","298","2","298","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","2,6-dimethoxybenzoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C72 H80 O32 -","8","1","XU5390","Portalone, Gustavo","A new polymorph of 2,6-dimethoxybenzoic acid","Acta Crystallographica Section E","2011","67","12","o3394","o3395","10.1107/S1600536811049075","","","0.71069","MoKα","","0.0844","0.062","","","0.1364","0.1466","","","","","","1.19","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233024","17.171","0.003","9.4065","0.0019","20.958","0.008","90","","122.36","0.02","90","","2859.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(3-methylanilinium) pentachloridoantimonate(III) chloride","","- C21 H30 Cl6 N3 Sb -","- C21 H30 Cl6 N3 Sb -","- C84 H120 Cl24 N12 Sb4 -","4","1","XU5391","Liu, Ming-Liang","Tris(3-methylanilinium) pentachloridoantimonate(III) chloride","Acta Crystallographica Section E","2011","67","12","m1812","","10.1107/S1600536811049087","","","0.71073","MoKα","","0.0684","0.0451","","","0.0794","0.0854","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233025","7.4816","0.0008","10.4211","0.0011","15.2116","0.0016","94.13","0.002","103.633","0.002","106.912","0.002","1090.1","0.2","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","[2,2'-(1,1'-Binaphthyl-2,2'-diyldiimino)diethanol- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]dichloridocopper(II)","","- C24 H24 Cl2 Cu N2 O2 -","- C24 H24 Cl2 Cu N2 O2 -","- C48 H48 Cl4 Cu2 N4 O4 -","2","1","XU5393","Huang, Wan-Yun; Liu, Dong-Cheng; Wei, Han-Chang; Liang, Fu-Pei","[2,2'-(1,1'-Binaphthyl-2,2'-diyldiimino)diethanol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]dichloridocopper(II)","Acta Crystallographica Section E","2011","67","12","m1844","","10.1107/S1600536811049828","","","0.71073","MoKα","","0.0412","0.0368","","","0.1035","0.1073","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233026","9.161","0.003","18.397","0.006","11.621","0.004","90","","98.132","0.006","90","","1938.9","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzyl 5-phenylpyrazolo[5,1-<i>a</i>]isoquinoline-1-carboxylate","","- C25 H18 N2 O2 -","- C25 H18 N2 O2 -","- C100 H72 N8 O8 -","4","1","XU5395","Lu, Yu-Kun; Yao, Xiao; Luo, Li-Wen; Lü, Ren-Qing; Liu, Yun-Qi","Benzyl 5-phenylpyrazolo[5,1-<i>a</i>]isoquinoline-1-carboxylate","Acta Crystallographica Section E","2011","67","12","o3488","","10.1107/S1600536811050586","","","0.71073","MoKα","","0.0972","0.0495","","","0.0969","0.1155","","","","","","0.866","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233027","9.0012","0.0015","20.5","0.003","9.6682","0.0017","90","","101.029","0.003","90","","1751.1","0.5","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11- tetraazacyclotetradecane)nickel(II) bis[<i>O</i>,<i>O</i>'-(1,2-phenylene) dithiophosphate]","","- C28 H44 N4 Ni O4 P2 S4 -","- C28 H44 N4 Ni O4 P2 S4 -","- C56 H88 N8 Ni2 O8 P4 S8 -","2","0.5","XU5399","Zou, Li-Ke; Lu, Yan; Cheng, Jie; He, Xi-Yang; Xie, Bin","(<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis[<i>O</i>,<i>O</i>'-(1,2-phenylene) dithiophosphate]","Acta Crystallographica Section E","2011","67","12","m1902","","10.1107/S1600536811050951","","","0.71073","MoKα","","0.0485","0.0355","","","0.081","0.0874","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233028","24.642","0.01","7.128","0.003","13.822","0.006","90","","112.66","0.007","90","","2240.4","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[3-(pyridin-4-yl)benzoato-κ<i>N</i>]cobalt(II)","","- C24 H24 Co N2 O8 -","- C24 H24 Co N2 O8 -","- C96 H96 Co4 N8 O32 -","4","0.5","YK2023","Wang, Hai-Rong; Li, Guo-Ting","Tetraaquabis[3-(pyridin-4-yl)benzoato-κ<i>N</i>]cobalt(II)","Acta Crystallographica Section E","2011","67","12","m1743","","10.1107/S1600536811046496","","","0.71073","MoKα","","0.0671","0.0489","","","0.1197","0.1311","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233029","21.418","0.0004","17.5316","0.0004","16.8375","0.0003","90","","113.387","0.0007","90","","5802.9","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-bipyridine)(pyridin-2-olato)ruthenium(II) hexafluoridophosphate benzene hemisolvate","","- C28 H23 F6 N5 O P Ru -","- C28 H20 F6 N5 O P Ru -","- C224 H160 F48 N40 O8 P8 Ru8 -","8","1","YK2024","Hamaguchi, Tomohiko; Ando, Isao","Bis(2,2'-bipyridine)(pyridin-2-olato)ruthenium(II) hexafluoridophosphate benzene hemisolvate","Acta Crystallographica Section E","2011","67","12","m1687","","10.1107/S1600536811045454","","","0.71075","MoKα","","0.0509","0.0467","","","0.1485","0.155","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233030","11.2296","0.0004","8.1905","0.0004","11.1","0.0005","90","","102.223","0.002","90","","997.79","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-(2-Hydroxybenzylidene)-2-(hydroxyimino)propanohydrazide","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C40 H44 N12 O12 -","4","1","YK2025","Plutenko, Maxym O.; Lampeka, Rostyslav D.; Moroz, Yurii S.; Haukka, Matti; Pavlova, Svetlana V.","<i>N</i>'-(2-Hydroxybenzylidene)-2-(hydroxyimino)propanohydrazide","Acta Crystallographica Section E","2011","67","12","o3282","o3283","10.1107/S1600536811045818","","","0.71073","MoKα","","0.03","0.0287","","","0.0845","0.0858","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233031","9.6116","0.0012","14.2025","0.0013","15.1032","0.0016","98.154","0.002","99.645","0.003","104.558","0.002","1930.4","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Bis[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboximidato- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']iron(III) tris(cyanido-κ<i>C</i>)[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2- carboximidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(III) monohydrate","","- C39 H26 Fe2 N12 O7 -","- C39 H26 Fe2 N12 O7 -","- C78 H52 Fe4 N24 O14 -","2","1","YK2026","Xiao, Yunyun; Shen, Xiaoping; Li, Yizhi","Bis[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboximidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']iron(III) tris(cyanido-κ<i>C</i>)[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboximidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(III) monohydrate","Acta Crystallographica Section E","2011","67","12","m1734","","10.1107/S1600536811046800","","","0.71073","MoKα","","0.0688","0.056","","","0.1267","0.1315","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233032","9.95","0.004","9.161","0.004","15.974","0.007","90","","96.848","0.008","90","","1445.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[triaquacopper(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylato- κ^3^<i>N</i>,<i>N</i>':<i>O</i>] monohydrate]","","- C12 H14 Cu N2 O8 -","- C12 H14 Cu N2 O8 -","- C48 H56 Cu4 N8 O32 -","4","1","YK2027","Wu, Qihui; Wang, Fuxiang; Jiang, Nanqing; Cao, Li; Pan, Qinhe","<i>catena</i>-Poly[[[triaquacopper(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1710","m1711","10.1107/S1600536811046423","","","0.71073","MoKα","","0.0909","0.0543","","","0.1344","0.1531","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233033","21.8874","0.0005","14.461","0.0003","15.2818","0.0003","90","","123.898","0.001","90","","4014.78","0.15","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[1,4-Phenylenebis(methylene)]bis(triphenylphosphonium) bis(tetrafluoroborate)","","- C44 H38 B2 F8 P2 -","- C44 H38 B2 F8 P2 -","- C176 H152 B8 F32 P8 -","4","1","YK2028","Ibrahim, Hamisu; Koorbanally, Neil; Ramjugernath, Deresh; Bala, Muhammad D.; Nyamori, Vincent O.","[1,4-Phenylenebis(methylene)]bis(triphenylphosphonium) bis(tetrafluoroborate)","Acta Crystallographica Section E","2011","67","12","o3391","","10.1107/S1600536811048975","","","0.71073","MoKα","","0.0608","0.0458","","","0.1074","0.1134","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233034","28.0587","0.0012","10.3677","0.0002","19.1322","0.0008","90","","101.277","0.002","90","","5458.2","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Tris{2-[(5-hydroxypyridin-2-yl-κ<i>N</i>)methylideneimino- κ<i>N</i>]ethyl}amine)zinc dinitrate","","- C24 H27 N9 O9 Zn -","- C24 H27 N9 O9 Zn -","- C192 H216 N72 O72 Zn8 -","8","1","YK2030","Seredyuk, Maksym; Znovjyak, Kateryna O.; Haukka, Matti; Pavlenko, Vadim A.; Bokach, Nadezhda A.","(Tris{2-[(5-hydroxypyridin-2-yl-κ<i>N</i>)methylideneimino-κ<i>N</i>]ethyl}amine)zinc dinitrate","Acta Crystallographica Section E","2011","67","12","m1791","m1792","10.1107/S1600536811048094","","","0.71073","MoKα","","0.0465","0.0285","","","0.0584","0.0644","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233035","8.7769","0.0016","36.711","0.007","13.188","0.002","90","","126.382","0.01","90","","3421","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[3-(3- hydroxyphenyl)propenoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^]cadmium","","","- C38 H30 Cd N4 O6 -","- C38 H30 Cd N4 O6 -","- C152 H120 Cd4 N16 O24 -","4","1","YK2032","Zhang, Chun-Yan; Wen, Yi-Hang","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[3-(3-hydroxyphenyl)propenoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^]cadmium","Acta Crystallographica Section E","2011","67","12","m1909","","10.1107/S1600536811050847","","","0.71073","MoKα","","","0.0363","","","0.0705","0.0758","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233036","15.348","0.005","11.089","0.002","10.729","0.002","90","","119.73","0.02","90","","1585.7","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[bis(dimethylazanium) [[chloridocopper(II)]-di-μ-chlorido-[chloridocopper(II)]-di-μ-azido- κ^4^<i>N</i>:<i>N</i>]]","","- C2 H8 Cl2 Cu N4 -","- C2 H8 Cl2 Cu N4 -","- C16 H64 Cl16 Cu8 N32 -","8","1","ZB2020","Zhang, Wei-Yi; Yang, Li; Liu, Jie","<i>catena</i>-Poly[bis(dimethylazanium) [[chloridocopper(II)]-di-μ-chlorido-[chloridocopper(II)]-di-μ-azido-κ^4^<i>N</i>:<i>N</i>]]","Acta Crystallographica Section E","2011","67","12","m1877","m1878","10.1107/S1600536811050537","","","0.71073","MoKα","","0.0517","0.0269","","","0.0611","0.0658","","","","","","0.937","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233037","22.1564","0.0016","3.8745","0.0002","26.7728","0.0018","90","","95.524","0.006","90","","2287.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Chlorophenyl)chromen-4-one","","- C15 H9 Cl O2 -","- C15 H9 Cl O2 -","- C120 H72 Cl8 O16 -","8","1","ZJ2023","Singh, Shailja; Singh, Manavendra K.; Agarwal, Alka; Awasthi, Satish K.","2-(4-Chlorophenyl)chromen-4-one","Acta Crystallographica Section E","2011","67","12","o3163","","10.1107/S1600536811043832","","","0.71073","MoKα","","0.0603","0.0492","","","0.1129","0.1194","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233038","15.385","0.002","12.1433","0.0012","9.4653","0.001","90","","95.755","0.011","90","","1759.4","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-Prop-2-ynyl-1<i>H</i>-benzimidazol-2-amine","","- C10 H9 N3 -","- C10 H9 N3 -","- C80 H72 N24 -","8","1","ZJ2027","Agarwal, Alka; Singh, Manavendra K.; Awasthi, Satish K.","1-Prop-2-ynyl-1<i>H</i>-benzimidazol-2-amine","Acta Crystallographica Section E","2011","67","12","o3213","o3214","10.1107/S1600536811042772","","","0.71073","MoKα","","0.0629","0.0536","","","0.1314","0.1372","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233039","6.351","0.0013","20.83","0.004","9.901","0.002","90","","96.78","0.03","90","","1300.7","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[2-(1<i>H</i>-Benzimidazol-2-yl)ethyl]-1<i>H</i>-1,2,3-benzotriazole","","- C15 H13 N5 -","- C15 H13 N5 -","- C60 H52 N20 -","4","1","ZJ2029","Zhang, Zhong; Lu, Wei; Wu, Difeng","1-[2-(1<i>H</i>-Benzimidazol-2-yl)ethyl]-1<i>H</i>-1,2,3-benzotriazole","Acta Crystallographica Section E","2011","67","12","o3167","","10.1107/S1600536811045442","","","0.71073","MoKα","","0.1029","0.0628","","","0.1119","0.125","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233040","7.729","0.0003","11.7215","0.0005","22.3974","0.001","90","","99.466","0.001","90","","2001.47","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(4-iodophenyl isocyanide-1κ<i>C</i>)(μ-propane-1,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>': <i>S</i>,<i>S</i>')iron(I)(<i>Fe</i>—<i>Fe</i>)","","- C15 H10 Fe2 I N O5 S2 -","- C15 H10 Fe2 I N O5 S2 -","- C60 H40 Fe8 I4 N4 O20 S8 -","4","1","ZJ2032","Zhu, Jinli; Tang, Yanfeng; Jiang, Guo -Min; Wang, Miao; Hua, Ping","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(4-iodophenyl isocyanide-1κ<i>C</i>)(μ-propane-1,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')iron(I)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2011","67","12","m1753","m1754","10.1107/S1600536811047088","","","0.71073","MoKα","","0.0594","0.051","","","0.1026","0.1095","","","","","","1.092","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233041","25.185","0.013","7.37","0.004","12.663","0.007","90","","101.851","0.01","90","","2300","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Guanidinium 2-(myristoylsulfanyl)ethanesulfonate","Guanidinium 2-(tetradecanoylsulfanyl)ethanesulfonate","","- C17 H37 N3 O4 S2 -","- C17 H37 N3 O4 S2 -","- C68 H148 N12 O16 S8 -","4","1","ZJ2033","Monillas, Elizabeth S.; Monillas, Wesley H.; Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Guanidinium 2-(myristoylsulfanyl)ethanesulfonate","Acta Crystallographica Section E","2011","67","12","o3257","","10.1107/S1600536811046472","","","0.71073","MoKα","","0.1683","0.0816","","","0.2086","0.247","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233042","8.515","0.002","15.408","0.004","11.941","0.003","90","","101.129","0.005","90","","1537.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)palladium(II)","","- C14 H10 Br2 N4 Pd -","- C14 H10 Br2 N4 Pd -","- C56 H40 Br8 N16 Pd4 -","4","1","ZJ2038","Ha, Kwang","Dibromido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)palladium(II)","Acta Crystallographica Section E","2011","67","12","m1896","","10.1107/S1600536811050525","","","0.71073","MoKα","","0.0493","0.0338","","","0.0757","0.0859","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233043","7.963","0.0009","8.8014","0.0012","9.3182","0.0013","101.585","0.011","91.924","0.01","90.826","0.01","639.26","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(2,4-Dipropoxyphenyl)boronic acid","","- C12 H19 B O4 -","- C12 H19 B O4 -","- C24 H38 B2 O8 -","2","1","ZJ2041","Dabrowski, Marek; Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz","(2,4-Dipropoxyphenyl)boronic acid","Acta Crystallographica Section E","2011","67","12","o3455","","10.1107/S1600536811049737","","","0.71073","MoKα","","0.0571","0.0326","","","0.077","0.0812","","","","","","0.895","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233044","11.5207","0.0002","13.5261","0.0002","18.5825","0.0004","90","","106.123","0.002","90","","2781.82","0.09","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{μ~2~-2-[(2-hydroxyethyl)(methyl)amino]ethanolato}bis(μ~3~-<i>N</i>- methyl-2,2'-azanediyldiethanolato)tetrakis(thiocyanatato- κ<i>N</i>)dichromium(III)dimanganese(II) dimethylformamide tetrasolvate","","- C36 H74 Cr2 Mn2 N12 O12 S4 -","- C36 H74 Cr2 Mn2 N12 O12 S4 -","- C72 H148 Cr4 Mn4 N24 O24 S8 -","2","0.5","ZK2033","Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Volodymyr N.; Zubatyuk, Roman I.; Shishkin, Oleg V.","Bis{μ~2~-2-[(2-hydroxyethyl)(methyl)amino]ethanolato}bis(μ~3~-<i>N</i>-methyl-2,2'-azanediyldiethanolato)tetrakis(thiocyanatato-κ<i>N</i>)dichromium(III)dimanganese(II) dimethylformamide tetrasolvate","Acta Crystallographica Section E","2011","67","12","m1864","m1865","10.1107/S1600536811049336","","","0.71073","MoKα","","0.0583","0.0317","","","0.0465","0.0482","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233045","13.262","0.002","17.09","0.003","13.306","0.002","90","","109.387","0.002","90","","2844.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(μ~2~-η^2^:η^2^-2,4,6-trimethylbenzonitrile)bis[(<i>N</i>-isopropyl- 3,5-dimethylanilido)molybdenum(III)](<i>Mo</i>—<i>Mo</i>)","","- C64 H86 Mo2 N6 -","- C64 H86 Mo2 N6 -","- C128 H172 Mo4 N12 -","2","0.5","ZL2410","Moroz, Yurii S.; Cozzolino, Anthony F.; Rybak-Akimova, Elena V.; Cummins, Christopher C.","Bis(μ~2~-η^2^:η^2^-2,4,6-trimethylbenzonitrile)bis[(<i>N</i>-isopropyl-3,5-dimethylanilido)molybdenum(III)](<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section E","2011","67","12","m1643","m1644","10.1107/S1600536811044680","","","0.71073","MoKα","","0.1333","0.0672","","","0.1418","0.1722","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233046","5.5372","0.0004","8.1487","0.0006","9.7578","0.0007","69.159","0.001","84.305","0.002","89.329","0.002","409.31","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","calcium acamprosate form B","poly[bis(μ~3~-4-acetamidopropanesulfonato)calcium]","","- C10 H20 Ca N2 O8 S2 -","- C10 H20 Ca N2 O8 S2 -","- C10 H20 Ca N2 O8 S2 -","1","0.5","ZL2412","Maccaroni, Elisabetta; Panzeri, Walter; Malpezzi, Luciana","Calcium acamprosate: a triclinic polymorph","Acta Crystallographica Section E","2011","67","12","m1736","m1737","10.1107/S1600536811046940","","","0.71069","MoKα","","0.0388","0.0339","","","0.0852","0.0877","","","","","","1.017","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233047","13.8836","0.0005","18.0029","0.0007","26.1594","0.001","90","","90.225","0.003","90","","6538.4","0.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(dimethyl sulfoxide-κ<i>O</i>)zinc bis(tetraphenylborate) dimethyl sulfoxide monosolvate","","- C74 H74 B2 N4 O3 S3 Zn -","- C74 H74 B2 N4 O3 S3 Zn -","- C296 H296 B8 N16 O12 S12 Zn4 -","4","1","ZL2419","Tomyn, Stefania; Gumienna-Kontecka, Elżbieta; Usenko, Natalia I.; Iskenderov, Turganbay S.; Prisyazhnaya, Elena V.","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(dimethyl sulfoxide-κ<i>O</i>)zinc bis(tetraphenylborate) dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2011","67","12","m1774","m1775","10.1107/S1600536811048082","","","0.71073","MoKα","","0.0812","0.0423","","","0.0874","0.0947","","","","","","0.941","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233048","10.0003","0.001","9.8565","0.0008","18.539","0.002","90","","93.926","0.009","90","","1823.1","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzyl-6-chloro-1-(4-methylphenyl)-1<i>H</i>-indole-3-carbonitrile","","- C23 H17 Cl N2 -","- C23 H17 Cl N2 -","- C92 H68 Cl4 N8 -","4","1","ZL2420","Yan, Qiao; Qi, Xiuxiang","2-Benzyl-6-chloro-1-(4-methylphenyl)-1<i>H</i>-indole-3-carbonitrile","Acta Crystallographica Section E","2011","67","12","o3388","","10.1107/S1600536811048422","","","0.71073","MoKα","","0.0841","0.0412","","","0.081","0.1025","","","","","","0.846","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233049","14.8788","0.0007","5.4712","0.0003","24.5008","0.0011","90","","95.347","0.004","90","","1985.81","0.17","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-[3-(Isonicotinoyloxy)propoxycarbonyl]pyridinium diiodidoargentate(I)","","- C15 H15 Ag I2 N2 O4 -","- C15 H15 Ag I2 N2 O4 -","- C60 H60 Ag4 I8 N8 O16 -","4","0.5","ZL2424","Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Bolte, Michael; López-Rodríguez, Matías","4-[3-(Isonicotinoyloxy)propoxycarbonyl]pyridinium diiodidoargentate(I)","Acta Crystallographica Section E","2011","67","12","m1759","m1760","10.1107/S1600536811047295","","","0.71073","MoKα","","0.0479","0.0411","","","0.1139","0.1189","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233050","13.142","0.002","15.663","0.003","17.097","0.003","90","","90.48","0.03","90","","3519.2","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-<i>n</i>-butylammonium tricyanido[<i>N</i>-(2-pyridylcarbonyl)pyridine-2-carboximidato]ferrate(III) dihydrate","","- C31 H48 Fe N7 O4 -","- C31 H48 Fe N7 O4 -","- C124 H192 Fe4 N28 O16 -","4","1","ZL2426","Xiao, Yunyun; Shen, Xiaoping; Li, Yizhi","Tetra-<i>n</i>-butylammonium tricyanido[<i>N</i>-(2-pyridylcarbonyl)pyridine-2-carboximidato]ferrate(III) dihydrate","Acta Crystallographica Section E","2011","67","12","m1879","","10.1107/S1600536811049415","","","0.71073","MoKα","","0.0973","0.0599","","","0.1271","0.1352","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233051","12.8861","0.0003","18.5137","0.0005","15.2299","0.0004","90","","91.143","0.001","90","","3632.66","0.16","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","pentaguanidinium dihydrogen nonavanado(IV)platinate(IV)","","- C5 H32 N15 O28 Pt V9 -","- C5 H32 N15 O28 Pt V9 -","- C20 H128 N60 O112 Pt4 V36 -","4","1","ZL2427","Joo, Hea-Chung; Park, Ki-Min; Lee, Uk","Anhydrous pentaguanidinium dihydrogen nonavanado(IV)platinate(IV)","Acta Crystallographica Section E","2011","67","12","m1801","m1802","10.1107/S1600536811049166","","","0.71073","MoKα","","0.0432","0.0288","","","0.0676","0.0729","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233052","7.131","0.002","11.749","0.003","12.654","0.003","83.85","0.02","83.12","0.02","89.5","0.02","1046.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>,<i>E</i>)-<i>N</i>^1^-(2,3,4,5,6-Pentafluorobenzylidene)- <i>N</i>^4^-(3,4,5-trimethoxybenzylidene)benzene-1,4-diamine","","- C23 H17 F5 N2 O3 -","- C23 H17 F5 N2 O3 -","- C46 H34 F10 N4 O6 -","2","1","ZL2429","Collas, Alain; Blockhuys, Frank","(<i>E</i>,<i>E</i>)-<i>N</i>^1^-(2,3,4,5,6-Pentafluorobenzylidene)-<i>N</i>^4^-(3,4,5-trimethoxybenzylidene)benzene-1,4-diamine","Acta Crystallographica Section E","2011","67","12","o3397","o3398","10.1107/S160053681104904X","","","0.71073","MoKα","","0.1324","0.0776","","","0.1937","0.24","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233053","14.288","0.0007","14.288","0.0007","22.3811","0.0011","90","","90","","120","","3956.9","0.3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","Tris{2-[(2,6-dimethylphenyl)amino]ethyl}amine","","- C30 H42 N4 -","- C30 H42 N4 -","- C180 H252 N24 -","6","0.333333","ZL2430","Moroz, Yurii S.; Takase, Michael K.; Müller, Peter; Rybak-Akimova, Elena V.","Tris{2-[(2,6-dimethylphenyl)amino]ethyl}amine","Acta Crystallographica Section E","2011","67","12","o3421","","10.1107/S1600536811049397","","","0.71073","MoKα","","0.0488","0.0411","","","0.1066","0.1128","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233054","14.1055","0.0013","16.3331","0.0014","5.2694","0.0004","90","","90","","90","","1214","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","1,4,8,9-tetraazatriphenylene-2,3-dicarbonitrile","pyrazino[2,3-<i>f</i>][1,10]phenanthroline-2,3-dicarbonitrile","","- C16 H6 N6 -","- C16 H6 N6 -","- C64 H24 N24 -","4","0.5","ZQ2127","Yang, Wei; Qiu, Qi-Ming; Zhou, Li-Li; Jin, Qiong-Hua; Zhang, Cun-Lin","An orthorhombic polymorph of pyrazino[2,3-<i>f</i>][1,10]phenanthroline-2,3-dicarbonitrile","Acta Crystallographica Section E","2011","67","12","o3250","o3251","10.1107/S1600536811047039","","","0.71073","MoKα","","0.0675","0.041","","","0.0964","0.1192","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233055","6.9433","0.0011","9.0591","0.0014","13.888","0.002","79.825","0.002","85.047","0.003","76.275","0.002","834.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","5,8-Dibromo-15-cyano-2,11-dithia[3.3]paracyclophane","13,15-dibromo-3,10-dithiatricyclo[10.2.2.2^5,8^]octadeca- 1(14),5,7,12,15,17-hexaene-6-carbonitrile","","- C17 H13 Br2 N S2 -","- C17 H13 Br2 N S2 -","- C34 H26 Br4 N2 S4 -","2","1","ZQ2128","Zhang, Hua; Liu, Wenju","5,8-Dibromo-15-cyano-2,11-dithia[3.3]paracyclophane","Acta Crystallographica Section E","2011","67","12","o3413","","10.1107/S1600536811048458","","","0.71073","MoKα","","0.0729","0.0592","","","0.1455","0.1523","","","","","","0.986","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233056","5.0923","0.0005","15.3743","0.0014","13.2321","0.0012","90","","96.66","0.002","90","","1028.96","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4'-dihydroxydiphenylmethane","2,4'-methylenediphenol","","- C13 H12 O2 -","- C13 H12 O2 -","- C52 H48 O8 -","4","1","ZQ2130","Peng, Wei-Dong; Chen, Sheng-Chun; An, Jie; Sun, Fu-An; Chen, Qun","Redetermination of 2,4'-methylenediphenol","Acta Crystallographica Section E","2011","67","12","o3143","","10.1107/S1600536811044989","","","0.71073","MoKα","","0.0628","0.043","","","0.1175","0.144","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233057","24.419","0.005","10.147","0.002","8.241","0.0016","90","","90","","90","","2042","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-(4-Fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone hemihydrate","","- C10 H9 F N3 O1.5 -","- C10 H9 F N3 O1.5 -","- C80 H72 F8 N24 O12 -","8","1","ZQ2131","Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao","1-(4-Fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone hemihydrate","Acta Crystallographica Section E","2011","67","12","o3170","","10.1107/S1600536811045429","","","0.71073","MoKα","","0.1054","0.0536","","","0.1308","0.1603","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233058","8.7095","0.0019","10.498","0.002","11.213","0.003","110.094","0.004","98.471","0.004","91.82","0.005","948.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Dibromido(2,4,6-tri-2-pyridyl-1,3,5-triazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II)","","- C18 H12 Br2 Mn N6 -","- C18 H12 Br2 Mn N6 -","- C36 H24 Br4 Mn2 N12 -","2","1","ZQ2132","Ha, Kwang","Dibromido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II)","Acta Crystallographica Section E","2011","67","12","m1655","","10.1107/S1600536811045211","","","0.71073","MoKα","","0.086","0.0463","","","0.0772","0.1137","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233059","14","0.003","12.133","0.002","23.832","0.004","90","","90","","90","","4048.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Nitrato-κ<i>O</i>)bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile- κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I)","","- C20 H12 Ag N9 O3 -","- C20 H12 Ag N9 O3 -","- C160 H96 Ag8 N72 O24 -","8","1","ZQ2135","Zhang, Fan; Yang, Yong-Li","(Nitrato-κ<i>O</i>)bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I)","Acta Crystallographica Section E","2011","67","12","m1863","","10.1107/S1600536811049221","","","0.71073","MoKα","","0.0646","0.0336","","","0.0808","0.099","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233060","8.632","0.0017","12.433","0.003","10.417","0.002","90","","104.85","0.03","90","","1080.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-1-(2,4-Difluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone oxime","","- C10 H8 F2 N4 O -","- C10 H8 F2 N4 O -","- C40 H32 F8 N16 O4 -","4","1","ZQ2136","Yu, Guang-yan; Li, Chen; Xiao, Tao; Li, Song; Tian, Xin","(<i>Z</i>)-1-(2,4-Difluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone oxime","Acta Crystallographica Section E","2011","67","12","o3468","","10.1107/S1600536811050008","","","0.71073","MoKα","","0.1009","0.0601","","","0.1487","0.1714","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233061","15.2113","0.0016","18.273","0.0018","7.4649","0.0008","90","","90.106","0.002","90","","2074.9","0.4","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,5-Bis(2-methoxyphenyl)thiocarbazonato- κ^2^<i>N</i>^5^,<i>S</i>]phenylmercury(II)","","- C21 H20 Hg N4 O2 S -","- C21 H20 Hg N4 O2 S -","- C84 H80 Hg4 N16 O8 S4 -","4","1","ZQ2138","von Eschwege, Karel; Muller, Fabian; Muller, Alfred","[1,5-Bis(2-methoxyphenyl)thiocarbazonato-κ^2^<i>N</i>^1^,<i>S</i>]phenylmercury(II)","Acta Crystallographica Section E","2011","67","12","m1804","","10.1107/S1600536811049099","","","0.71073","MoKα","","0.0442","0.0303","","","","0.076","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233062","31.996","0.003","10.1889","0.0009","26.892","0.002","90","","116.818","0.001","90","","7824","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[1,5-Bis(4-fluorophenyl)thiocarbazonato- κ^2^<i>N</i>^5^,<i>S</i>]phenylmercury(II)} dichloromethane hemisolvate","","- C19.5 H15 Cl F2 Hg N4 S -","- C19.5 H15 Cl F2 Hg N4 S -","- C312 H240 Cl16 F32 Hg16 N64 S16 -","16","2","ZQ2140","von Eschwege, Karel G.; Muller, Fabian; Muller, Alfred","[1,5-Bis(4-fluorophenyl)thiocarbazonato-κ^2^<i>N</i>^5^,<i>S</i>]phenylmercury(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2011","67","12","m1858","m1859","10.1107/S1600536811050331","","","0.71073","MoKα","","0.0362","0.0315","","","","0.0744","","","","","","1.209","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233063","5.7117","0.0002","17.951","0.0007","14.2455","0.0005","90","","91.262","0.002","90","","1460.25","0.09","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>- phenylhydrazinecarbothioamide","","- C15 H11 Cl N4 O S -","- C15 H11 Cl N4 O S -","- C60 H44 Cl4 N16 O4 S4 -","4","1","ZS2150","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2011","67","12","o3141","o3142","10.1107/S1600536811044199","","","0.71073","MoKα","","0.0527","0.0396","","","0.0943","0.101","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233064","7.632","0.0015","7.92","0.0016","9.244","0.0018","109.3","0.03","91.28","0.03","93","0.03","526.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Nitro-4-(propylamino)benzonitrile","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C20 H22 N6 O4 -","2","1","ZS2155","Liu, Shang-Lian; Jia, Hong-Sheng","3-Nitro-4-(propylamino)benzonitrile","Acta Crystallographica Section E","2011","67","12","o3284","","10.1107/S1600536811045533","","","0.71073","MoKα","","0.0759","0.051","","","0.1417","0.1645","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233065","9.9266","0.0007","15.5724","0.001","7.8963","0.0006","90","","93.878","0.004","90","","1217.82","0.15","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[(dichloridozinc)-μ-bis(pyridin-3-yl)methanone- κ^2^<i>N</i>:<i>N</i>']","","- C11 H8 Cl2 N2 O Zn -","- C11 H8 Cl2 N2 O Zn -","- C44 H32 Cl8 N8 O4 Zn4 -","4","0.5","ZS2159","Zhang, Fan","<i>catena</i>-Poly[(dichloridozinc)-μ-bis(pyridin-3-yl)methanone-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2011","67","12","m1764","","10.1107/S160053681104671X","","","0.71073","MoKα","","0.0205","0.0197","","","0.0549","0.0554","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233066","5.6875","0.0003","17.9405","0.0008","14.5658","0.0006","90","","91.105","0.003","90","","1485.97","0.12","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(5-Methyl-2-oxoindolin-3-ylidene)-<i>N</i>- phenylhydrazinecarbothioamide","","- C16 H14 N4 O S -","- C16 H14 N4 O S -","- C64 H56 N16 O4 S4 -","4","1","ZS2160","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-2-(5-Methyl-2-oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2011","67","12","o3476","o3477","10.1107/S1600536811049154","","","0.71073","MoKα","","0.0764","0.0536","","","0.1127","0.1226","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233067","10.3019","0.0002","16.3962","0.0004","16.05","0.0004","90","","108.449","0.001","90","","2571.71","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Bis(3,3-dimethylallyl)-<i>N</i>,<i>N</i>'- (propane-1,3-diyl)dibenzenesulfonamide","","- C25 H34 N2 O4 S2 -","- C25 H34 N2 O4 S2 -","- C100 H136 N8 O16 S8 -","4","1","ZS2161","Khan, Islam Ullah; Sheikh, Tahir Ali; Ejaz; Harrison, William T. A.","<i>N</i>,<i>N</i>'-Bis(3,3-dimethylallyl)-<i>N</i>,<i>N</i>'-(propane-1,3-diyl)dibenzenesulfonamide","Acta Crystallographica Section E","2011","67","12","o3507","","10.1107/S1600536811050562","","","0.71073","MoKα","","0.0479","0.0343","","","0.0902","0.1019","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233068","8.636","0.002","12.728","0.003","15.688","0.004","90","","103.218","0.004","90","","1678.7","0.7","98","2","98","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Aminobenzoic acid‒4-(pyridin-4-yldisulfanyl)pyridine (1/1)","","- C17 H15 N3 O2 S2 -","- C17 H15 N3 O2 S2 -","- C68 H60 N12 O8 S8 -","4","1","ZS2162","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","2-Aminobenzoic acid‒4-(pyridin-4-yldisulfanyl)pyridine (1/1)","Acta Crystallographica Section E","2011","67","12","o3361","","10.1107/S1600536811048483","","","0.71073","MoKα","","0.0308","0.0305","","","0.0777","0.078","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233069","13.7009","0.0009","7.1127","0.0005","16.018","0.0011","90","","106.734","0.001","90","","1494.86","0.18","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquabis(pyridine-2-sulfonato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)","","- C10 H12 Co N2 O8 S2 -","- C10 H12 Co N2 O8 S2 -","- C40 H48 Co4 N8 O32 S8 -","4","0.5","ZS2164","Li, Zong-Sheng; Ng, Seik Weng","Diaquabis(pyridine-2-sulfonato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2011","67","12","m1781","","10.1107/S1600536811048203","","","0.71073","MoKα","","0.0256","0.0238","","","0.0655","0.0666","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233070","11.7737","0.0005","8.1122","0.0003","26.0694","0.001","90","","90","","90","","2489.9","0.17","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazin-12-one","","- C15 H10 N2 O S -","- C15 H10 N2 O S -","- C120 H80 N16 O8 S8 -","8","1","ZS2165","Wang, Zhiming; Yu, Bin; Li, Shen; Zou, Caihong; Sun, Xiaoqiang","2-Methyl-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazin-12-one","Acta Crystallographica Section E","2011","67","12","o3506","","10.1107/S1600536811050501","","","0.71073","MoKα","","0.0509","0.0386","","","0.0901","0.0974","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233716","17.4849","0.0008","9.8161","0.0004","20.4264","0.0007","90","","124.578","0.003","90","","2886.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2- pyridyl)ethylidene]ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc","","- C11 H17 Cl2 N3 Zn -","- C11 H17 Cl2 N3 Zn -","- C88 H136 Cl16 N24 Zn8 -","8","2","OM2444","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc","Acta Crystallographica, Section E","2011","67","8","m1027","m1027","10.1107/S1600536811025669","","","0.71073","MoKα","","0.0263","0.0208","","","0.0494","0.0516","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2300304","4.736","0.003","10.819","0.005","12.206","0.006","89.727","0.015","78.904","0.014","89.977","0.018","613.7","0.6","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C28 H28 O4 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.2348","0.0988","","","0.246","0.3207","","","","","","0.98","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300305","24.003","0.003","4.7435","0.0006","10.8255","0.0012","90","","90.185","0.004","90","","1232.6","0.3","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","0.5","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0537","0.036","","","0.1045","0.1321","","","","","","1.162","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300306","24.012","0.003","4.7429","0.0005","10.8321","0.0013","90","","90.197","0.004","90","","1233.6","0.3","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","0.5","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0439","0.0375","","","0.1154","0.1217","","","","","","1.204","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300307","10.1","0.002","11.365","0.002","11.3","0.002","90","","97.464","0.005","90","","1286.1","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0484","0.0325","","","0.0761","0.0847","","","","","","1.031","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300309","10.1414","0.0009","11.3865","0.0009","11.3289","0.0009","90","","97.4","0.003","90","","1297.31","0.19","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0578","0.0384","","","0.1161","0.1469","","","","","","1.08","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300310","10.1385","0.0011","11.3898","0.0011","11.3325","0.0012","90","","97.467","0.004","90","","1297.5","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0497","0.0346","","","0.0926","0.1149","","","","","","1.089","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300311","10.1375","0.0011","11.3871","0.0014","11.3412","0.0014","90","","97.482","0.004","90","","1298","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0582","0.0375","","","0.098","0.1222","","","","","","1.087","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300312","10.137","0.003","11.413","0.004","11.345","0.003","90","","97.465","0.011","90","","1301.4","0.7","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 S -","- C14 H11 F N2 S -","- C56 H44 F4 N8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.068","0.0397","","","0.0967","0.1252","","","","","","1.093","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300313","9.356","0.002","9.9295","0.0019","19.357","0.004","90","","90.47","0.007","90","","1798.2","0.6","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 N2 Pd -","- C17 H20 Cl2 N2 Pd -","- C68 H80 Cl8 N8 Pd4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0462","0.0388","","","0.1083","0.121","","","","","","1.185","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300314","9.356","0.002","9.9295","0.0019","19.357","0.004","90","","90.47","0.007","90","","1798.2","0.6","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 N2 Pd -","- C17 H20 Cl2 N2 Pd -","- C68 H80 Cl8 N8 Pd4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.046","0.0387","","","0.1073","0.1204","","","","","","1.151","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300315","8.5305","0.0011","9.6211","0.0014","10.988","0.0016","72.593","0.004","78.78","0.005","83.039","0.004","842.2","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 Pd -","- C16 H18 Cl2 N2 Pd -","- C32 H36 Cl4 N4 Pd2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0307","0.0235","","","0.0699","0.0986","","","","","","1.449","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300316","8.5305","0.0011","9.6211","0.0014","10.988","0.0016","72.593","0.004","78.78","0.005","83.039","0.004","842.2","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 Pd -","- C16 H18 Cl2 N2 Pd -","- C32 H36 Cl4 N4 Pd2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.029","0.0218","","","0.0637","0.0913","","","","","","1.227","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300317","8.007","0.002","16.958","0.005","8.031","0.002","90","","95.097","0.01","90","","1086.2","0.5","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0726","0.0466","","","0.1249","0.1517","","","","","","1.082","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300318","8.007","0.002","16.958","0.005","8.031","0.002","90","","95.097","0.01","90","","1086.2","0.5","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0725","0.0466","","","0.1257","0.1527","","","","","","1.066","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300319","8.894","0.004","16.22","0.008","7.742","0.003","90","","90.214","0.014","90","","1116.9","0.9","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0852","0.0462","","","0.1222","0.1646","","","","","","1.062","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300320","8.894","0.004","16.22","0.008","7.742","0.003","90","","90.214","0.014","90","","1116.9","0.9","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0852","0.0463","","","0.1261","0.1689","","","","","","1.01","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300321","12.8651","0.0014","15.3291","0.0014","7.1435","0.0008","90","","93.379","0.004","90","","1406.3","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0632","0.04","","","0.1082","0.133","","","","","","1.079","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300322","12.8651","0.0014","15.3291","0.0014","7.1435","0.0008","90","","93.379","0.004","90","","1406.3","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0631","0.04","","","0.1123","0.1384","","","","","","0.974","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300323","11.7771","0.0007","11.4544","0.0006","14.9031","0.0009","90","","95.945","0.001","90","","1999.6","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 S2 -","- C21 H21 N O3 S2 -","- C84 H84 N4 O12 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0373","0.0313","","","0.0791","0.0851","","","","","","1.027","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300324","11.7937","0.0009","11.4816","0.0007","14.9358","0.0012","90","","95.972","0.003","90","","2011.5","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 S2 -","- C21 H21 N O3 S2 -","- C84 H84 N4 O12 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0632","0.0428","","","0.1225","0.1414","","","","","","1.124","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300325","11.7937","0.0009","11.4816","0.0007","14.9358","0.0012","90","","95.972","0.003","90","","2011.5","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 S2 -","- C21 H21 N O3 S2 -","- C84 H84 N4 O12 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0631","0.0427","","","0.1232","0.1425","","","","","","1.097","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300326","8.3649","0.0016","5.5063","0.001","25.129","0.004","90","","90","","90","","1157.4","0.4","300","2","300","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O S -","- C13 H10 F2 O S -","- C52 H40 F8 O4 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0449","0.0338","","","0.0886","0.1182","","","","","","1.19","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300327","7.55","0.0016","11.186","0.003","13.954","0.003","90","","92.938","0.008","90","","1176.9","0.5","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0594","0.0404","","","0.1017","0.1253","","","","","","1.227","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300328","7.4946","0.0011","7.7421","0.0011","11.4816","0.0016","95.418","0.003","103.879","0.003","96.985","0.003","636.65","0.16","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 I N O2 S -","- C13 H10 I N O2 S -","- C26 H20 I2 N2 O4 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0324","0.0275","","","0.0633","0.0659","","","","","","1.047","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300329","7.5076","0.0015","7.76","0.002","11.507","0.003","95.317","0.008","103.999","0.007","97.013","0.007","640.4","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 I N O2 S -","- C13 H10 I N O2 S -","- C26 H20 I2 N2 O4 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0431","0.0303","","","0.0723","0.0966","","","","","","1.076","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300330","7.5076","0.0015","7.76","0.002","11.507","0.003","95.317","0.008","103.999","0.007","97.013","0.007","640.4","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 I N O2 S -","- C13 H10 I N O2 S -","- C26 H20 I2 N2 O4 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0431","0.0303","","","0.0724","0.0967","","","","","","1.071","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300331","9.583","0.0012","6.9252","0.0008","11.8518","0.0015","90","","103.815","0.003","90","","763.78","0.16","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O3 S -","- C7 H5 N O3 S -","- C28 H20 N4 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0364","0.0308","","","0.0767","0.0806","","","","","","1.061","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300332","9.6083","0.0016","6.9347","0.001","11.882","0.002","90","","103.834","0.006","90","","768.7","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O3 S -","- C7 H5 N O3 S -","- C28 H20 N4 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.059","0.0386","","","0.1067","0.1375","","","","","","1.171","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300333","9.6083","0.0016","6.9347","0.001","11.882","0.002","90","","103.834","0.006","90","","768.7","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H0 N O3 S -","- C7 H4 N O3 S -","- C28 H16 N4 O12 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0798","0.0593","","","0.1663","0.1968","","","","","","1.075","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300334","7.7617","0.0015","12.912","0.003","15.663","0.003","90","","95.141","0.006","90","","1563.4","0.6","296","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","2","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.038","0.0256","","","0.0522","0.0561","","","","","","1.022","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300335","7.7617","0.0015","12.912","0.003","15.663","0.003","90","","95.141","0.006","90","","1563.4","0.6","296","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 I2 N4 O4 -","- C12 H6 I2 N4 O4 -","- C48 H24 I8 N16 O16 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0459","0.033","","","0.0877","0.1043","","","","","","1.037","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300336","7.7598","0.001","9.9684","0.0013","18.231","0.002","90","","90","","90","","1410.2","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0539","0.0372","","","0.0759","0.0814","","","","","","1.052","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300338","7.7592","0.001","9.9677","0.0013","18.23","0.002","90","","90","","90","","1409.9","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0574","0.0397","","","0.0917","0.1126","","","","","","1.136","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300339","7.811","0.004","17.503","0.01","15.892","0.009","90","","103.305","0.017","90","","2114","2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O5 S2 -","- C17 H23 N3 O5 S2 -","- C68 H92 N12 O20 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0632","0.0453","","","0.1248","0.1418","","","","","","1.12","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300341","7.811","0.004","17.503","0.01","15.892","0.009","90","","103.305","0.017","90","","2114","2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O5 S2 -","- C17 H23 N3 O5 S2 -","- C68 H92 N12 O20 S8 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0692","0.0517","","","0.1686","0.2","","","","","","0.814","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300342","5.6095","0.001","7.3299","0.0015","12.491","0.002","90","","93.297","0.005","90","","512.74","0.16","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H12 N4 O3 S -","- C7 H12 N4 O3 S -","- C14 H24 N8 O6 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0337","0.0305","","","0.0704","0.0725","","","","","","1.134","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300344","5.6245","0.0017","7.354","0.003","12.521","0.005","90","","93.445","0.013","90","","517","0.3","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H12 N4 O3 S -","- C7 H12 N4 O3 S -","- C14 H24 N8 O6 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0614","0.0458","","","0.085","0.092","","","","","","0.999","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300345","5.6245","0.0017","7.354","0.003","12.521","0.005","90","","93.445","0.013","90","","517","0.3","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H8 N4 O S -","- C7 H6 N3 O4 S -","- C14 H12 N6 O8 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.1073","0.0865","","","0.2132","0.228","","","","","","0.993","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300346","10.2699","0.001","11.1605","0.001","11.1911","0.0012","85.945","0.003","67.75","0.003","70.671","0.003","1118.07","0.19","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O P S -","- C25 H22 N O P S -","- C50 H44 N2 O2 P2 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0568","0.039","","","0.0941","0.1104","","","","","","1.047","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300347","10.2699","0.001","11.1605","0.001","11.1911","0.0012","85.945","0.003","67.75","0.003","70.671","0.003","1118.07","0.19","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O P S -","- C25 H22 N O P S -","- C50 H44 N2 O2 P2 S2 -","2","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0594","0.04","","","0.1145","0.1462","","","","","","1.008","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300348","10.259","0.003","11.05","0.004","13.38","0.005","67.808","0.008","87.291","0.008","67.435","0.007","1288.4","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","2","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0949","0.0619","","","0.1961","0.2657","","","","","","1.104","","","","has coordinates,has disorder","209649","2020-10-21","18:00:00",""
"2300349","10.289","0.0011","11.0563","0.0012","13.4402","0.0015","67.823","0.003","87.573","0.004","67.616","0.003","1299.9","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","2","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0722","0.055","","","0.1528","0.1737","","","","","","1.012","","","","has coordinates,has disorder","209649","2020-10-21","18:00:00",""
"2300351","10.289","0.0011","11.0563","0.0012","13.4402","0.0015","67.823","0.003","87.573","0.004","67.616","0.003","1299.9","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","2","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0975","0.0767","","","0.2011","0.2269","","","","","","1.042","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300352","10.4008","0.0004","6.0523","0.0002","4.7324","0.0002","90","","90","","90","","297.91","0.02","618","","618","","25000","","25000","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe1.006 Li1.006 O4 P -","- Fe4.024 Li4.024 O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.99814","","","","","","","","","","","","","","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2300353","10.3789","0.0001","6.0394","0.0001","4.7211","0.0001","90","","90","","90","","295.931","0.008","618","","618","","25000","","25000","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.75 Li Mn0.25 O4 P -","- Fe0.75 Li Mn0.25 O4 P -","- Fe3 Li4 Mn O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.94449","","","","","","","","","","","","","","","","","","has coordinates","287987","2023-12-04","13:58:22",""
"2300354","10.4072","0.0003","6.06188","0.00014","4.73357","0.00013","90","","90","","90","","298.628","0.014","618","","618","","25000","","25000","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.5 Li Mn0.5 O4 P -","- Fe0.5 Li Mn0.5 O4 P -","- Fe2 Li4 Mn2 O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.94449","","","","","","","","","","","","","","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2300355","10.4303","0.0003","6.08084","0.00019","4.74531","0.00018","90","","90","","90","","300.971","0.017","618","","618","","25000","","25000","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.25 Li Mn0.75 O4 P -","- Fe0.25 Li Mn0.75 O4 P -","- Fe Li4 Mn3 O16 P4 -","4","0.5","KO5132","Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo","Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles","Journal of Applied Crystallography","2011","44","2","287","294","10.1107/S0021889811006522","powder diffraction","","0.94449","","","","","","","","","","","","","","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2300356","6.0514","0.0002","3.5482","0.0016","11.996","0.004","90","","106.26","0.03","90","","247.27","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","alpha oxalic acid dihydrate","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","KO5139","Chakoumakos, Bryan C.; Cao, Huibo; Ye, Feng; Stoica, Alexandru D.; Popovici, Mihai; Sundaram, Madhan; Zhou, Wenduo; Hicks, J. Steve; Lynn, Gary W.; Riedel, Richard A.","Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor","Journal of Applied Crystallography","2011","44","3","655","658","10.1107/S0021889811012301","","neutron","1","neutron","","0.1877","0.0563","","","0.1505","0.1721","","","","","","0.956","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300357","8.8647","0.0003","8.8647","0.0003","11.3595","0.0004","90","","90","","120","","773.07","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C12 H48 N16 Ni2 O12 -","2","0.166667","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.035","0.0273","","","0.0396","0.0401","","","","","","2.305","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300358","8.8647","0.0003","8.8647","0.0003","11.3595","0.0004","90","","90","","120","","773.07","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C12 H48 N16 Ni2 O12 -","2","0.166667","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.0358","0.03","","","0.1203","0.1254","","","","","","1.022","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300359","8.806","0.005","8.806","0.005","33.147","0.005","90","0.005","90","0.005","120","0.005","2226","1.8","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C36 H144 N48 Ni6 O36 -","6","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71069","MoKα","","0.0301","0.028","","","0.1019","0.1045","","","","","","0.897","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300360","8.806","0.005","8.806","0.005","33.147","0.005","90","0.005","90","0.005","120","0.005","2226","1.8","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C36 H144 N48 Ni6 O36 -","6","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71069","MoKα","","0.0326","0.031","","","0.1154","0.1174","","","","","","1.014","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300361","8.8647","0.0003","8.8647","0.0003","11.3595","0.0004","90","","90","","120","","773.07","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C6 H24 N8 Ni O6 -","- C6 H24 N8 Ni O6 -","- C12 H48 N16 Ni2 O12 -","2","0.166667","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.0627","0.0439","","","0.054","0.0566","","","","","","2.262","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300362","15.805","0.009","5.6535","0.0018","12.126","0.009","90","","107.55","0.04","90","","1033.1","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O8 -","- C8 H14 N2 O8 -","- C32 H56 N8 O32 -","4","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.038","0.03","","","","0.036","","","","","","2.964","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300363","15.8205","0.00011","5.68202","0.00003","12.09246","0.00008","90","","107.333","0.0008","90","","1037.66","0.012","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O8 -","- C8 H14 N2 O8 -","- C32 H56 N8 O32 -","4","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.016","0.015","","","","0.01","","","","","","1.452","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300364","15.82035","0.00012","5.68088","0.00003","12.09343","0.00008","90","","107.332","0.0008","90","","1037.53","0.013","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O8 -","- C8 H14 N2 O8 -","- C32 H56 N8 O32 -","4","0.5","HE5530","Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán","Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem","Journal of Applied Crystallography","2011","44","4","763","771","10.1107/S0021889811016232","","","0.71073","MoKα","","0.022","0.021","","","","0.013","","","","","","2.028","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2310026","7.241","","12.648","","9.216","","90","","90","","90","","844.04","","","","196","","","","","","","","","3","Pmcn(00\g)ss0","","","","","","- Cl4 Rb2 Zn -","- Cl4 Rb2 Zn -","- Cl16 Rb8 Zn4 -","4","","BP5035","Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander","Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~","Acta Crystallographica Section B","2011","67","3","205","217","10.1107/S0108768111013814","","","0.5","X-ray","","0.103","0.103","","","0.1429","0.1429","","","","","","6.51","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310027","7.241","","12.648","","9.216","","90","","90","","90","","844.04","","","","196","","","","","","","","","3","Pmcn(00\g)ss0","","","","","","- Cl4 Rb2 Zn -","- Cl4 Rb2 Zn -","- Cl16 Rb8 Zn4 -","4","","BP5035","Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander","Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~","Acta Crystallographica Section B","2011","67","3","205","217","10.1107/S0108768111013814","","","0.5","X-ray","","0.0563","0.0563","","","0.0705","0.0705","","","","","","3.28","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310028","4.3134","","4.3134","","5.8658","","90","","90","","120","","94.514","","831","","831","","","","","","","","","2","R-3m(00\g)","","","","","","- Sb8 Te3 -","- Sb2.172 Te0.828 -","- Sb2.172 Te0.828 -","1","","SO5052","Kifune, Kouichi; Fujita, Tomoko; Kubota, Yoshiki; Yamada, Noboru; Matsunaga, Toshiyuki","Crystallization of the chalcogenide compound Sb~8~Te~3~","Acta Crystallographica Section B","2011","67","5","381","385","10.1107/S0108768111033738","powder diffraction","","0.4209","synchrotron","","0.0621","0.056","","","0.0257","0.026","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2311107","9.4831","0.0002","12.4169","0.0003","12.9518","0.0003","95.54","0.001","90.306","0.002","104.229","0.001","1470.72","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Aquachloridobis(2-{[3-(morpholin-4- yl)propyl]iminomethyl}phenolato)manganese(III) monohydrate","","- C28 H42 Cl Mn N4 O6 -","- C28 H42 Cl Mn N4 O6 -","- C56 H84 Cl2 Mn2 N8 O12 -","2","1","IS2745","Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah","Aqua-chloridobis(2-{[3-(morpholin-4-yl)prop-yl]imino-meth-yl}phenolato)manganese(III) monohydrate.","Acta crystallographica. Section E, Structure reports online","2011","67","Pt 8","m1044","5","10.1107/S1600536811026493","","","0.71073","MoKα","","0.0647","0.0387","","","0.0845","0.0929","","","","","","0.993","","","","has coordinates","245579","2020-10-21","18:00:00",""
"2311108","23.8174","0.0004","10.9141","0.0002","7.4645","0.0001","90","","90","","90","","1940.36","0.05","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","Dipotassium disulfanilamidate trihydrate","","- C6 H10 K N2 O3.5 S -","- C6 H10 K N2 O3.5 S -","- C48 H80 K8 N16 O28 S8 -","8","1","OM2446","How, Fiona N.-F.; Rahima, Z. A.; Khaledi, Hamid; Mohd Ali, Hapipah","Dipotassium disulfanilamidate trihydrate.","Acta crystallographica. Section E, Structure reports online","2011","67","Pt 8","m1071","","10.1107/S1600536811026791","","","0.71073","MoKα","","0.0154","0.0154","","","0.0421","0.0421","","","","","","1.107","","","","has coordinates","280578","2023-01-25","08:34:37",""
"2311603","9.4999","0.0015","11.9323","0.0019","15.247","0.003","88.658","0.003","76.925","0.003","89.38","0.003","1683","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)- <i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol","","- C38 H48 N O P -","- C38 H48 N O P -","- C76 H96 N2 O2 P2 -","2","1","FN3077","Lee, Jong Dae; Suh, Il Hwan; Kang, Sang Ook","Multiple intramolecular hydrogen bonds in 2,4-di-tert-butyl-6-[N-(2,6-diisopropylphenyl)-P,P-diphenylphosphorimidoyl]phenol.","Acta crystallographica. Section C, Crystal structure communications","2011","67","Pt 5","o151","3","10.1107/S0108270111009267","","","0.71073","MoKα","","0.1221","0.053","","","0.1272","0.1598","","","","","","1.018","","","","has coordinates,has disorder","246018","2020-10-21","18:00:00",""
"2311604","6.9132","0.0001","23.9825","0.0002","17.3695","0.0002","90","","90","","90","","2879.79","0.06","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Poly[tetrakis(<i>n</i>-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]","","- C12 H40 Cl10 N4 Ni3 -","- C12 H40 Cl10 N4 Ni3 -","- C48 H160 Cl40 N16 Ni12 -","4","0.25","FG3235","Talley, Allison; Kelley, Annette F.; Bond, Marcus R.","Poly[tetrakis(n-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]: a hybrid organic-inorganic layer compound in the Cs4Mg3F10 structure type.","Acta crystallographica. Section C, Crystal structure communications","2011","67","Pt 12","m395","9","10.1107/S0108270111050116","","","0.71073","MoKα","","0.0292","0.0231","","","0.0531","0.0558","","","","","","1.034","","","","has coordinates","246019","2020-10-21","18:00:00",""
"2311605","6.9786","0.0001","24.0608","0.0005","17.4131","0.0003","90","","90","","90","","2923.85","0.09","240","2","240","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Poly[tetrakis(<i>n</i>-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]","","- C12 H40 Cl10 N4 Ni3 -","- C12 H40 Cl10 N4 Ni3 -","- C48 H160 Cl40 N16 Ni12 -","4","0.25","FG3235","Talley, Allison; Kelley, Annette F.; Bond, Marcus R.","Poly[tetrakis(n-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]: a hybrid organic-inorganic layer compound in the Cs4Mg3F10 structure type.","Acta crystallographica. Section C, Crystal structure communications","2011","67","Pt 12","m395","9","10.1107/S0108270111050116","","","0.71073","MoKα","","0.1043","0.0381","","","0.0743","0.0882","","","","","","0.997","","","","has coordinates,has disorder","246019","2020-10-21","18:00:00",""
"3000000","8.4721","0.0005","7.1575","0.0007","4.1265","0.0004","90","","90","","90","","250.23","0.04","293","","","","","","","","","","Synthetic","3","A m a 2","A 2 -2a","40","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Armel Le Bail; Salim Ouhenia; Daniel Chateigner","Microtwinning hypothesis for a more ordered vaterite model","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","powder diffraction","","","X-ray","","","","","","","","","5.2218","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"3000009","16.0725","0.0009","7.7301","0.0003","14.6189","0.0009","90","","96.8695","0.001","90","","1803.24","0.17","293","","293","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","3,4-diaminopyridin-1-ium dihydrogen phosphate","","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Armel Le Bail; Lubomir Smrcok","Ab initio structure determination of 3,4-diaminopyridin-1-ium dihydrogen phosphate","Powder Diffraction","2011","26","","321","","10.1154/1.3660160","powder diffraction","","1.5418","CuKα","","","","","","","","","2.6801","","","","","","","","has coordinates","201981","2020-10-21","18:00:00",""
"3500000","10.3396","0.001","9.1777","0.0009","11.246","0.0011","90","","91.063","0.001","90","","1066.99","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","indium (III) nitrate pentahydrate","","","- H10 In N3 O14 -","- H10 In N3 O14 -","- H40 In4 N12 O56 -","4","1","","Daniel C. M. Whynot; Yaoting Zhang; Arthur D. Hendsbee; Cory C. Pye; Jason D. Masuda","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.0249","0.0229","","","0.0553","0.0566","","","","","","1.067","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500001","8.172","0.001","9.1441","0.0006","11.945","0.002","105.26","0.01","95.1","0.01","115.58","0.01","755.39","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 Fe N8 O18 -","- C18 H38 Fe N8 O18 -","- C18 H38 Fe N8 O18 -","1","0.5","","Miguel Quirós; Juan M. Salas","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.0425","0.0391","","","0.1296","0.1315","","","","","","1.596","","","","has coordinates,has Fobs","176722","2020-10-21","18:00:00",""
"3500002","11.8698","0.0012","5.6782","0.001","12.9832","0.0013","90","","107.681","0.011","90","","833.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Mg N8 O8 -","- C10 H18 Mg N8 O8 -","- C20 H36 Mg2 N16 O16 -","2","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.2879","0.1289","","","0.2397","0.3358","","","","","","1.108","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500003","3.681","0.0002","14.1272","0.0005","10.8138","0.0005","90","","98.267","0.003","90","","556.5","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C20 H20 N12 O8 -","4","1","","Martin Lutz","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.0501","0.0385","","","0.1012","0.1081","","","","","","1.07","","","","has coordinates,has Fobs","201981","2020-10-21","18:00:00",""
"3500004","9.023","0.001","12.463","0.001","14.771","0.001","90","","147.229","0.005","90","","899.1","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Co N10 O2 S2 -","- C12 H12 Co N10 O2 S2 -","- C24 H24 Co2 N20 O4 S4 -","2","0.5","","Abderrahman Rahmani; M. Angustias Romero; Miguel Quirós; Juan M. Salas; René Faure","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.0239","0.0239","","","0.0606","0.0606","","","","","","0.886","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500005","26.13","0.003","16.618","0.002","9.5517","0.001","90","","102.083","0.009","90","","4055.7","0.8","297","1","297","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H25 N14 O9.75 Pd Pt -","- C22 H25 N14 O9.75 Pd Pt -","- C88 H100 N56 O39 Pd4 Pt4 -","4","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.1823","0.1103","","","0.2492","0.3005","","","","","","1.174","","","","has coordinates,has Fobs","188514","2020-10-21","18:00:00",""
"3500006","15.37","0.003","18.304","0.004","13.372","0.003","90","","90","","90","","3762","1.4","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H54 N14 Ni O3 S -","- C30 H48 N14 Ni O3 S -","- C120 H192 N56 Ni4 O12 S4 -","4","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.128","0.0636","","0.1673","0.1386","","","","1.005","1.148","1.148","","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500007","15.349","0.003","18.253","0.004","13.274","0.003","90","","90","","90","","3718.9","1.4","253","2","253","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H54 N14 Ni O3 S -","- C30 H48 N14 Ni O3 S -","- C120 H192 N56 Ni4 O12 S4 -","4","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.2234","0.0643","","0.1057","0.0801","","","","0.816","1.11","1.11","","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500008","7.342","0.001","10.922","0.002","11.245","0.002","90","","102.17","0.01","90","","881.5","0.3","295","","293","2","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C10 H18 Co N8 O8 -","- C10 Co N8 O8 -","- C20 Co2 N16 O16 -","2","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","","Personal communication to COD","2011","","","","","","","","0.71073","xray","","","0.066","","","0.081","","","","","2.807","2.807","","","","","has coordinates,has Fobs","176668","2020-10-21","18:00:00",""
"4000700","11.6417","0.0006","11.7774","0.0007","13.7069","0.0013","112.458","0.003","99.9654","0.0009","99.163","0.001","1657.3","0.2","295.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 N2 O5 P S -","- C35 H38 N2 O5 P S -","- C70 H76 N4 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin’ichi; Hosokoshi, Yuko; Turner, Scott S.","A Purely Organic Paramagnetic Metal, κ-β′′-(BEDT-TTF)2(PO-CONHC2H4SO3), Where PO = 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl Free Radical†","Chemistry of Materials","2011","23","3","762","","10.1021/cm100984z","","","0.71069","MoKα","","","0.0689","","","","0.0567","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000701","8.711","0.002","11.8136","0.0004","40.528","0.007","89.448","0.002","87.3821","0.0012","83.2487","0.0009","4137.4","1.2","293.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O5 S17 -","- C31 H34 N2 O5 S17 -","- C124 H136 N8 O20 S68 -","4","2","","Akutsu, Hiroki; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin’ichi; Hosokoshi, Yuko; Turner, Scott S.","A Purely Organic Paramagnetic Metal, κ-β′′-(BEDT-TTF)2(PO-CONHC2H4SO3), Where PO = 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl Free Radical†","Chemistry of Materials","2011","23","3","762","","10.1021/cm100984z","","","0.71069","MoKα","","","0.0944","","","","0.075","","","","","","1.1514","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000702","9.1985","0.0011","9.5493","0.0013","13.2712","0.0016","75.93","0.003","75.466","0.003","82.159","0.003","1091","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","byproduct","byproduct","","- C24 H20 Cl N O2 S2 -","- C24 H20 Cl N O2 S2 -","- C48 H40 Cl2 N2 O4 S4 -","2","1","","Suzuki, Yuki; Shimawaki, Masafumi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo","Quinoidal Oligothiophenes with (Acyl)cyanomethylene Termini: Synthesis, Characterization, Properties, and Solution Processed n-Channel Organic Field-Effect Transistors†","Chemistry of Materials","2011","23","3","795","","10.1021/cm102109p","","","0.71075","MoKα","","0.1221","0.0912","","","0.2632","0.2838","","","","","","0.979","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000703","5.9336","0.0017","7.31","0.002","22.707","0.006","82.283","0.003","82.706","0.004","78.117","0.004","950.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","10051m","10051m","","- C42 H46 S6 -","- C42 H46 S6 -","- C42 H46 S6 -","1","0.5","","Pappenfus, Ted M.; Schneiderman, Deborah K.; Casado, Juan; López Navarrete, Juan T.; Ruiz Delgado, M. Carmen; Zotti, Gianni; Vercelli, Barbara; Lovander, Matthew D.; Hinkle, Lindsay M.; Bohnsack, Jon N.; Mann, Kent R.","Oligothiophene Tetracyanobutadienes: Alternative Donor−Acceptor Architectures for Molecular and Polymeric Materials†","Chemistry of Materials","2011","23","3","823","","10.1021/cm102128g","","","0.71073","MoKα","","0.0636","0.042","","","0.0884","0.0992","","","","","","1.043","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000704","8.358","0.005","17.836","0.005","13.891","0.005","90","","96.544","0.005","90","","2057.3","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N3 -","- C23 H27 N3 -","- C92 H108 N12 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.2267","0.1837","","0.2151","0.2101","0.2151","","","","","","1.0812","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000705","8.552","0.005","7.519","0.005","38.551","0.005","90","","91.896","0.005","90","","2478","2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 -","- C29 H31 N3 -","- C116 H124 N12 -","4","2","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties","Chemistry of Materials","2011","23","3","862","873","10.1021/cm102165r","","","0.71069","MoKα","","0.1503","0.0574","","0.1263","0.0743","0.0743","","","","","","0.7826","","","","has coordinates","218797","2020-10-21","18:00:00",""
"4000706","9.173","0.005","18.158","0.005","16.718","0.005","90","","97.576","0.005","90","","2760.3","1.9","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N4 -","- C33 H30 N4 -","- C132 H120 N16 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1609","0.0446","","0.0711","0.0491","0.0567","","","","","","1.0386","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000707","7.671","0.005","8.752","0.005","16.741","0.005","96.328","0.005","93.545","0.005","95.462","0.005","1109","1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 N6 -","- C23 H26 N6 -","- C46 H52 N12 -","2","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1441","0.087","","0.1088","0.0992","0.0989","","","","","","0.7382","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000708","10.92","0.005","14","0.005","15.753","0.005","90","","106.259","0.005","90","","2312","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N9 -","- C23 H25 N9 -","- C92 H100 N36 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1901","0.1265","","0.3538","0.3209","0.3538","","","","","","1.1518","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000709","15.7228","0.0018","11.5429","0.0012","23.123","0.003","90","","90","","90","","4196.5","0.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Cl N3 -","- C23 H26 Cl N3 -","- C184 H208 Cl8 N24 -","8","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71073","MoKα","","0.1447","0.0553","","0.1472","0.0685","0.1472","","","","","","0.8155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000710","9.244","0.005","10.877","0.005","13.234","0.005","70.273","0.005","70.515","0.005","65.327","0.005","1108.9","0.9","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 Cl2 N3 -","- C23 H25 Cl2 N3 -","- C46 H50 Cl4 N6 -","2","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1061","0.0753","","0.2491","0.2331","0.2491","","","","","","0.8807","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000711","17.727","0.005","17.596","0.005","8.291","0.005","90","","91.537","0.005","90","","2585.2","1.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N3 O4 -","- C27 H31 N3 O4 -","- C108 H124 N12 O16 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.2045","0.0882","","0.0835","0.0749","0.0749","","","","","","0.6887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000712","7.237","0.003","11.484","0.004","9.373","0.003","90","","90","","90","","779","0.5","210","2","210","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","diammonium hypodiphosphate","","- H10 N2 O6 P2 -","- H10 N2 O6 P2 -","- H40 N8 O24 P8 -","4","0.5","","Szklarz, Przemysław; Chański, Michał; Ślepokura, Katarzyna; Lis, Tadeusz","Discovery of Ferroelectric Properties in Diammonium Hypodiphosphate (NH4)2H2P2O6(ADhP)","Chemistry of Materials","2011","23","5","1082","","10.1021/cm102265e","","","0.71073","MoKα","","0.0535","0.0352","","","0.0836","0.0893","","","","","","1.172","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000713","10.45","0.005","10.45","0.005","22.736","0.005","90","0.005","90","0.005","90","0.005","2482.8","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 41","P 4w","76","Compound X","","","- C12 H0 Mn2 N16 Nb O6 -","- C12 Mn2 N16 Nb O6 -","- C48 Mn8 N64 Nb4 O24 -","4","1","","Pinkowicz, Dawid; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Majcher, Anna Małgorzata; Nuida, Tomohiro; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Multifunctional Magnetic Molecular {[MnII(urea)2(H2O)]2[NbIV(CN)8]}nSystem: Magnetization-Induced SHG in the Chiral Polymorph","Chemistry of Materials","2011","23","1","21","","10.1021/cm102388q","","x-ray","0.71069","MoKα","","0.0616","0.0545","","","0.1343","0.1396","","","","","","1.102","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000714","10.459","0.0003","10.46","0.0003","11.54","0.0003","83.159","0.002","82.12","0.002","88.964","0.002","1241.66","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H0 Mn2 N16 Nb O6 -","- C12 Mn2 N16 Nb O6 -","- C24 Mn4 N32 Nb2 O12 -","2","1","","Pinkowicz, Dawid; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Majcher, Anna Małgorzata; Nuida, Tomohiro; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Multifunctional Magnetic Molecular {[MnII(urea)2(H2O)]2[NbIV(CN)8]}nSystem: Magnetization-Induced SHG in the Chiral Polymorph","Chemistry of Materials","2011","23","1","21","","10.1021/cm102388q","","","0.71073","MoKα","","0.1021","0.0898","","","0.2593","0.268","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000715","15.915","0.003","3.923","0.0008","25.855","0.005","90","","94.5","0.03","90","","1609.3","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 Br2 S2 -","- C6 H2 Br2 S2 -","- C48 H16 Br16 S16 -","8","2","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Tuning the Band Gap of Low-Band-Gap Polyselenophenes and Polythiophenes: The Effect of the Heteroatom†","Chemistry of Materials","2011","23","3","896","","10.1021/cm102395v","","","0.71073","MoKα","","0.0431","0.028","","","0.061","0.0647","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4000716","3.9748","0.0008","14.965","0.003","15.68","0.003","117.59","0.03","90.78","0.03","93.57","0.03","824.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H2 Br2 S Se -","- C6 H2 Br2 S Se -","- C24 H8 Br8 S4 Se4 -","4","2","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Tuning the Band Gap of Low-Band-Gap Polyselenophenes and Polythiophenes: The Effect of the Heteroatom†","Chemistry of Materials","2011","23","3","896","","10.1021/cm102395v","","","0.71073","MoKα","","0.0416","0.0301","","","0.0688","0.0733","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4000717","7.1517","0.0002","22.9276","0.0005","7.6767","0.0001","90","","97.649","0.001","90","","1247.56","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Ga2 O10 -","- C9 H7 Ga2 O10 -","- C36 H28 Ga8 O40 -","4","1","","Hajjar, Redouane; Volkringer, Christophe; Loiseau, Thierry; Guillou, Nathalie; Marrot, Jérôme; Férey, Gérard; Margiolaki, Irene; Fink, Gerhard; Morais, Claudia; Taulelle, Francis","71Ga Slow-CTMAS NMR and Crystal Structures of MOF-Type Gallium Carboxylates with Infinite Edge-Sharing Octahedra Chains (MIL-120 and MIL-124)","Chemistry of Materials","2011","23","1","39","","10.1021/cm1025427","","","0.71073","MoKα","","0.0345","0.0301","","","0.0953","0.1053","","","","","","1.188","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000718","16.7435","0.0002","16.7435","0.0002","16.7435","0.0002","90","","90","","90","","4693.95","0.1","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-tin-manganese carbide","","","- C12 La21 Mn8 Sn7 -","- C12 La21 Mn8 Sn7 -","- C48 La84 Mn32 Sn28 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0216","0.018","","","0.0369","0.0379","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000719","16.4829","0.0004","16.4829","0.0004","16.4829","0.0004","90","","90","","90","","4478.17","0.19","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-antimony-manganese carbide","","","- C12 La21 Mn8 Sb7 -","- C12 La21 Mn8 Sb7 -","- C48 La84 Mn32 Sb28 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0186","0.0177","","","0.038","0.0382","","","","","","1.384","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000720","16.2259","0.0003","16.2259","0.0003","16.2259","0.0003","90","","90","","90","","4271.95","0.14","295","2","295","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","lanthanum-germanium-aluminium-manganese carbide","","","- C12 Al0.83 Ge6.17 La21 Mn8 -","- C12 Al0.83 Ge6.17 La21 Mn8 -","- C48 Al3.32 Ge24.68 La84 Mn32 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0215","0.02","","","0.042","0.0425","","","","","","1.186","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000721","16.6072","0.0005","16.6072","0.0005","16.6072","0.0005","90","","90","","90","","4580.3","0.2","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-bismuth-manganese carbide","","","- C12 Bi7 La21 Mn8 -","- C12 Bi7 La21 Mn8 -","- C48 Bi28 La84 Mn32 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0216","0.0188","","","0.0369","0.0375","","","","","","1.243","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000722","16.4455","0.0007","16.4455","0.0007","16.4455","0.0007","90","","90","","90","","4447.8","0.3","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-tellurium-manganese carbide","","","- C12 La20.02 Mn8 Te7 -","- C12 La20.024 Mn8 Te7 -","- C48 La80.096 Mn32 Te28 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0319","0.0234","","","0.0446","0.047","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000723","16.2911","0.0007","16.2911","0.0007","16.2911","0.0007","90","","90","","90","","4323.7","0.3","295","2","295","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","lanthanum-tellurium-aluminium-manganese carbide","","","- C12 Al2.66 Fe8 La20.71 Te4.34 -","- C12 Al2.658 Fe8 La20.71 Te4.342 -","- C48 Al10.632 Fe32 La82.84 Te17.368 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.04","0.04","","","0.0935","0.0935","","","","","","1.559","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000724","12.3853","0.0001","12.3853","0.0001","3.82","0.00004","90","","90","","90","","585.971","0.009","293","","293","","","","","","","","","3","I 4/m","-I 4","87","PX phase of lead titanate","","","- O3 Pb Ti -","- O3 Pb Ti -","- O24 Pb8 Ti8 -","8","0.5","","Wang, Jin; Schenk, Kurt; Carvalho, Alexandra; Eerd, Ben Wylie-van; Trodahl, Joe; Sandu, Cosmin S.; Bonin, Michel; Gregora, Ivan; He, Zhanbing; Yamada, Tomoaki; Funakubo, Hiroshi; Briddon, Patrick R.; Setter, Nava","Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate","Chemistry of Materials","2011","23","10","2529","","10.1021/cm1030206","powder diffraction","","0.498358","synchrotron","","0.0188","0.0188","","","0.0277","0.0277","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000725","9.1838","0.0011","16.135","0.002","19.005","0.002","98.794","0.002","92.691","0.003","90.956","0.002","2779.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 Cd N6 S4 -","- C20 H40 Cd N6 S4 -","- C80 H160 Cd4 N24 S16 -","4","2","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","0.71073","MoKα","","0.0902","0.0453","","","0.068","0.0777","","","","","","0.684","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000726","9.092","0.0008","11.5052","0.001","26.955","0.002","90","","98.799","0.002","90","","2786.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N6 S4 Zn -","- C20 H40 N6 S4 Zn -","- C80 H160 N24 S16 Zn4 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","0.71073","MoKα","","0.0686","0.036","","","0.0492","0.0541","","","","","","0.743","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000727","11.6199","0.0013","13.397","0.0015","11.6558","0.0013","90","","104.163","0.002","90","","1759.3","0.3","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N6 O2 S2 Zn -","- C28 H56 N6 O2 S2 Zn -","- C56 H112 N12 O4 S4 Zn2 -","2","1","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000728","10.1973","0.0001","10.1973","0.0001","10.1973","0.0001","90","","90","","90","","1060.36","0.018","200","2","200","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Sodium Silicide","Sodium Silicide","","- Na4 Si23 -","- Na4 Si23 -","- Na8 Si46 -","2","0.0416667","","Stefanoski, Stevce; Beekman, Matt; Wong-Ng, Winnie; Zavalij, Peter; Nolas, George S.","Simple Approach for Selective Crystal Growth of Intermetallic Clathrates","Chemistry of Materials","2011","23","6","1491","","10.1021/cm103135k","","","0.71073","MoKα","","0.0111","0.011","","","0.0253","0.0254","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000729","14.7121","0.0001","14.7121","0.0001","14.7121","0.0001","90","","90","","90","","3184.37","0.04","200","2","200","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Sodium Silicide","Sodium Silicide","","- Na3 Si17 -","- Na3 Si17 -","- Na24 Si136 -","8","0.0416667","","Stefanoski, Stevce; Beekman, Matt; Wong-Ng, Winnie; Zavalij, Peter; Nolas, George S.","Simple Approach for Selective Crystal Growth of Intermetallic Clathrates","Chemistry of Materials","2011","23","6","1491","","10.1021/cm103135k","","","0.71073","MoKα","","0.0116","0.0115","","","0.029","0.029","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000730","30.319","0.002","30.319","0.002","10.119","0.001","90","","90","","120","","8055.6","1.1","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C90 H60 Ag6 F18 N24 O24 S6 -","- C90 H60 Ag6 F18 N24 O24 S6 -","- C270 H180 Ag18 F54 N72 O72 S18 -","3","0.333333","","Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting","Tunable Coordinative Assembly of a Disc-Like Molecule and Metal Ions: From Mirospheres to Microtubes and Microrods","Chemistry of Materials","2011","23","6","1505","","10.1021/cm103182e","","","0.71073","MoKα","","0.051","0.0382","","","0.0786","0.0926","","","","","","0.899","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000731","7.1827","0.0001","7.1827","0.0001","7.1827","0.0001","90","","90","","90","","370.564","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000732","7.1907","0.0001","7.1907","0.0001","7.1907","0.0001","90","","90","","90","","371.804","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000733","7.2001","0.0001","7.2001","0.0001","7.2001","0.0001","90","","90","","90","","373.264","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000734","7.2109","0.0001","7.2109","0.0001","7.2109","0.0001","90","","90","","90","","374.946","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000735","7.2216","0.0002","7.2216","0.0002","7.2216","0.0002","90","","90","","90","","376.617","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000736","7.2341","0.0002","7.2341","0.0002","7.2341","0.0002","90","","90","","90","","378.576","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.6 La3.4 Mo4 O17.992 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000737","7.2479","0.0002","7.2479","0.0002","7.2479","0.0002","90","","90","","90","","380.747","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000738","7.2611","0.0002","7.2611","0.0002","7.2611","0.0002","90","","90","","90","","382.831","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.6 La3.4 Mo4 O17.992 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000739","7.2745","0.0002","7.2745","0.0002","7.2745","0.0002","90","","90","","90","","384.955","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000740","7.2875","0.0003","7.2875","0.0003","7.2875","0.0003","90","","90","","90","","387.02","0.03","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000741","8.48212","0.0001","8.48212","0.0001","8.48212","0.0001","90","","90","","90","","610.258","0.012","","","1173","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Li0.056 O0.165 Ti0.069 -","- Li0.0553917 O0.166667 Ti0.0694417 -","- Li10.6352 O32 Ti13.3328 -","192","1","","Laumann, Andreas; Boysen, Hans; Bremholm, Martin; Fehr, K. Thomas; Hoelzel, Markus; Holzapfel, Michael","Lithium Migration at High Temperatures in Li4Ti5O12Studied by Neutron Diffraction","Chemistry of Materials","2011","23","11","2753","","10.1021/cm103332y","powder diffraction","neutron","1.5483","neutron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000742","11.5616","0.0013","3.9304","0.0004","16.8423","0.0018","90","","90","","90","","765.34","0.14","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cerium ytterbium copper sulfide","","","- Ce2 Cu S5 Yb -","- Ce2 Cu S5 Yb -","- Ce8 Cu4 S20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0269","0.0242","","","0.0579","0.0588","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000743","12.1113","0.0007","4.078","0.0003","17.5714","0.0011","90","","90","","90","","867.85","0.1","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cerium ytterbium copper selenide","","","- Ce2 Cu Se5 Yb -","- Ce2 Cu Se5 Yb -","- Ce8 Cu4 Se20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0316","0.029","","","0.0745","0.0757","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000744","11.615","0.004","3.9662","0.0013","16.923","0.006","90","","90","","90","","779.6","0.5","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lanthanum ytterbium copper sulfide","","","- Cu La2 S5 Yb -","- Cu La2 S5 Yb -","- Cu4 La8 S20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0286","0.0261","","","0.0617","0.0628","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000745","12.1326","0.0011","4.1119","0.0004","17.6653","0.0016","90","","90","","90","","881.29","0.14","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lanthanum ytterbium copper selenide","","","- Cu La2 Se5 Yb -","- Cu La2 Se5 Yb -","- Cu4 La8 Se20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.046","0.0369","","","0.0936","0.0966","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000746","11.5323","0.0008","3.8531","0.0003","16.647","0.0012","90","","90","","90","","739.71","0.09","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","samarium ytterbium copper sulfide","","","- Cu S5 Sm2 Yb -","- Cu S5 Sm2 Yb -","- Cu4 S20 Sm8 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0286","0.0263","","","0.0655","0.0665","","","","","","1.133","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000747","6.3028","0.00029","6.25587","0.00023","5.81797","0.00007","90","","90","","90","","229.4","0.014","20","","20","","","","","","","","","2","F m m m","-F 2 2","69","","","","- O6.88 Rb4 -","- O6.88 Rb4 -","- O6.88 Rb4 -","1","0.03125","","Riyadi, Syarif; Giriyapura, Shivakumara; de Groot, Robert A.; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.; Blake, Graeme R.","Ferromagnetic Order from p-Electrons in Rubidium Oxide","Chemistry of Materials","2011","23","6","1578","","10.1021/cm103433r","powder diffraction","x-ray","1.54059","","","","","","","","","0.0382","","0.33","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000748","15.11","0.001","3.744","0.0005","9.1693","0.0015","90","","98.984","0.007","90","","512.36","0.11","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na2 O13 Ti6 -","- Na2 O13 Ti6 -","- Na4 O26 Ti12 -","2","0.25","","Kataoka, Kunimitsu; Awaka, Junji; Kijima, Norihito; Hayakawa, Hiroshi; Ohshima, Ken-ichi; Akimoto, Junji","Ion-Exchange Synthesis, Crystal Structure, and Electrochemical Properties of Li2Ti6O13","Chemistry of Materials","2011","23","9","2344","","10.1021/cm103678e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000749","15.3065","0.0004","3.74739","0.00008","9.1404","0.0002","90","","99.379","0.002","90","","517.28","0.02","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li2 O13 Ti6 -","- Li2 O13 Ti6 -","- Li4 O26 Ti12 -","2","0.25","","Kataoka, Kunimitsu; Awaka, Junji; Kijima, Norihito; Hayakawa, Hiroshi; Ohshima, Ken-ichi; Akimoto, Junji","Ion-Exchange Synthesis, Crystal Structure, and Electrochemical Properties of Li2Ti6O13","Chemistry of Materials","2011","23","9","2344","","10.1021/cm103678e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000750","10.442","0.003","10.442","0.003","13.216","0.008","90","","90","","120","","1248","0.9","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ce0.08 Na0.67 O1.5 Si0.5 -","- Ce0.0833333 Na0.666667 O1.5 Si0.5 -","- Ce3 Na24 O54 Si18 -","36","1","","Wang, Xi; Li, Jiyang; Han, Yide; Li, Yi; Yu, Jihong; Xu, Ruren","Na8CeSi6O18and Its Ti-Doped Analogue Na8Ce0.73Ti0.27Si6O18with Interesting Photovoltaic Properties","Chemistry of Materials","2011","23","11","2842","","10.1021/cm200104t","","","0.71073","MoKα","","0.0919","0.0895","","","0.2186","0.2203","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000751","10.8423","0.0011","10.8423","0.0011","10.8423","0.0011","90","","90","","90","","1274.6","0.2","295","","295","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga Se4 Ta4 Te4 -","- Ga Se4 Ta4 Te4 -","- Ga4 Se16 Ta16 Te16 -","4","0.0416667","","Guiot, V.; Janod, E.; Corraze, B.; Cario, L.","Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)","Chemistry of Materials","2011","23","10","2611","","10.1021/cm200266n","","","0.71069","MoKα","","0.0262","0.0258","","","0.032","0.0322","","","","0.92","0.92","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000752","10.9955","0.0013","10.9955","0.0013","10.9955","0.0013","90","","90","","90","","1329.4","0.3","295","","295","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga Se2 Ta4 Te6 -","- Ga Se2 Ta4 Te6 -","- Ga4 Se8 Ta16 Te24 -","4","0.0416667","","Guiot, V.; Janod, E.; Corraze, B.; Cario, L.","Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)","Chemistry of Materials","2011","23","10","2611","","10.1021/cm200266n","","","0.71069","MoKα","","0.0479","0.0475","","","0.0519","0.0521","","","","1.16","1.16","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000753","10.7389","0.001","10.7389","0.001","10.7389","0.001","90","","90","","90","","1238.5","0.2","295","","295","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga Se5.24 Ta4 Te2.76 -","- Ga Se5.24 Ta4 Te2.76 -","- Ga4 Se20.96 Ta16 Te11.04 -","4","0.0416667","","Guiot, V.; Janod, E.; Corraze, B.; Cario, L.","Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)","Chemistry of Materials","2011","23","10","2611","","10.1021/cm200266n","","","0.71069","MoKα","","0.0309","0.028","","","0.0383","0.0391","","","","1.13","1.13","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000754","11.3691","0.0008","11.2041","0.0006","17.6065","0.0011","90","","101.148","0.007","90","","2200.4","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H64 O4 Sn4 Zn4 -","- C27 H64 O4 Sn4 Zn4 -","- C54 H128 O8 Sn8 Zn8 -","2","1","","Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias","Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications","Chemistry of Materials","2011","23","9","2428","","10.1021/cm200282w","","","0.71073","MoKα","","0.0776","0.0669","","","0.1577","0.1639","","","","","","1.107","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000755","11.2398","0.0002","11.0673","0.0002","16.6253","0.0004","90","","98.927","0.002","90","","2043.04","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H56 O4 Sn4 Zn4 -","- C23 H56 O4 Sn4 Zn4 -","- C46 H112 O8 Sn8 Zn8 -","2","1","","Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias","Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications","Chemistry of Materials","2011","23","9","2428","","10.1021/cm200282w","","","0.71073","MoKα","","0.0231","0.0205","","","0.0401","0.0405","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000756","7.03676","0.00013","11.5431","0.0002","13.8379","0.001","76.874","0.005","75.87","0.005","74.923","0.005","1036.28","0.09","123.1","","123.1","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H15 F5 -","- C30 H15 F5 -","- C60 H30 F10 -","2","1","","Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka","Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties","Chemistry of Materials","2011","23","7","1646","","10.1021/cm200356y","","","1.54187","CuKα","","","0.0529","","","","0.1521","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000757","9.2589","0.0007","10.9073","0.0008","10.9164","0.0009","66.773","0.004","80.036","0.004","89.745","0.005","995.33","0.14","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka","Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties","Chemistry of Materials","2011","23","7","1646","","10.1021/cm200356y","","","1.54187","CuKα","","","0.0694","","","","0.201","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000758","11.004","0.002","13.139","0.003","15.31","0.003","81.67","0.03","87.02","0.03","69.85","0.03","2056.1","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2,2,6,6-tetramethylheptane-3,5-dionato)silver(i)-triethylphosphine","","- C34 H68 Ag2 O4 P2 -","- C34 H68 Ag2 O4 P2 -","- C68 H136 Ag4 O8 P4 -","2","1","","Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku","Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films","Chemistry of Materials","2011","23","11","2901","","10.1021/cm200402j","","","0.71073","MoKα","","0.0441","0.0279","","","0.0555","0.0606","","","","","","0.987","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000759","15.573","0.003","16.835","0.003","16.276","0.003","90","","90","","90","","4267.1","1.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2,2-dimethyl-6,6,7,7,8,8,8-heptafluoroocta-3,5-dionato)silver(I)-triethylphosphine","","- C16 H25 Ag F7 O2 P -","- C16 H25 Ag F7 O2 P -","- C128 H200 Ag8 F56 O16 P8 -","8","1","","Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku","Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films","Chemistry of Materials","2011","23","11","2901","","10.1021/cm200402j","","","0.71073","MoKα","","0.0987","0.0751","","","0.1773","0.1893","","","","","","1.911","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000760","13.464","0.008","29.985","0.017","19.717","0.011","90","","90","","90","","7960","8","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C86 H50 Cu9 N40 O22 -","- C86 H50 Cu9 N40 O22 -","- C172 H100 Cu18 N80 O44 -","2","0.5","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.1304","0.0778","","","0.1731","0.1943","","","","","","0.91","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000761","7.119","0.006","21.58","0.02","9.1","0.008","90","","90","","90","","1398","2","298","2","298","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C21 H23 Cu2 N9 O6 -","- C21 H23 Cu2 N9 O6 -","- C42 H46 Cu4 N18 O12 -","2","0.25","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.0663","0.0604","","","0.1503","0.154","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000762","7.185","0.0015","9.1854","0.0019","21.544","0.005","90","","90","","90","","1421.8","0.5","298","2","298","2","","","","","","","","6","I m a 2","I 2 -2a","46","Cu-TBA-2F","","","- C11.16 H8 Cu F0.33 N5 O3 -","- C11.164 H8 Cu F0.334 N5 O3 -","- C44.656 H32 Cu4 F1.336 N20 O12 -","4","0.5","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.0933","0.0723","","","0.1961","0.2091","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000763","11.185","0.0018","6.4007","0.001","14.191","0.002","90","","104.634","0.002","90","","983","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Uranyl Fluoroborate Hydrate","","","- B5 F Na O12 U -","- B5 F Na O12 U -","- B20 F4 Na4 O48 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0177","0.0164","","","0.0342","0.0347","","","","","","0.772","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000764","6.443","0.002","13.439","0.005","10.799","0.003","90","","90.625","0.007","90","","935","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Potassium Uranyl Fluoroborate","","","- B5 F K O11 U -","- B5 F K O11 U -","- B20 F4 K4 O44 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.035","0.0249","","","0.0521","0.0555","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000765","11.0914","0.0008","11.0914","0.0008","26.577","0.003","90","","90","","120","","2831.5","0.4","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","Potassium Uranyl Fluoroborate","","","- B25 F22 K11 O51 U6 -","- B25 F22 K11 O51 U6 -","- B50 F44 K22 O102 U12 -","2","0.166667","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0487","0.0262","","","0.0457","0.0501","","","","","","0.916","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000766","11.1442","0.0016","6.4828","0.0009","13.874","0.002","90","","95.462","0.002","90","","997.8","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Rubidium Uranyl Fluoroborate","","","- B5 F O11 Rb U -","- B5 F O11 Rb U -","- B20 F4 O44 Rb4 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0142","0.0136","","","0.0325","0.0328","","","","","","0.952","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000767","6.4163","0.0011","6.4663","0.0011","7.1357","0.0012","103.275","0.002","92.053","0.002","119.58","0.002","246.67","0.07","103","2","103","2","","","","","","","","5","P 1","P 1","1","Thallium Uranyl Fluoroborate","","","- B5 F O11 Tl U -","- B5 F O11 Tl U -","- B5 F O11 Tl U -","1","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0361","0.0294","","","0.0522","0.054","","","","","","0.968","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000768","11.1753","0.0016","6.3975","0.0009","14.113","0.002","90","","104.93","0.002","90","","974.9","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Neptunium (VI) Fluoroborate Hydrate","","","- B5 F Na Np O12 -","- B5 F Na Np O12 -","- B20 F4 Na4 Np4 O48 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0175","0.0168","","","0.0343","0.0345","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000769","25.559","0.006","25.559","","25.559","","90","","90","","90","","16697","4","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C42 H48 O13 S12 Zn4 -","- C24 H6 O13 S6 Zn4 -","- C192 H48 O104 S48 Zn32 -","8","0.0416667","","He, Jun; Yee, Ka-Kit; Xu, Zhengtao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Thioether Side Chains Improve the Stability, Fluorescence, and Metal Uptake of a Metal‒Organic Framework","Chemistry of Materials","2011","23","11","2940","","10.1021/cm200557e","","","0.71073","MoKα","","0.2272","0.0948","","","0.2878","0.333","","","","","","0.834","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000770","3.62","0.0013","3.62","0.0013","11.97","0.00012","90","","90","","120","","135.84","0.07","150","2","150","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Co S4 -","- Al2 Co S4 -","- Al2 Co S4 -","1","0.0833333","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.77535","synchrotron","","0.0288","0.0288","","","0.0545","0.0545","","","","","","1.198","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000771","3.7013","0.0013","3.7013","0.0013","36.416","0.0012","90","","90","","120","","432","0.2","150","2","150","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- Al2 Mn S4 -","- Al2 Mn S4 -","- Al6 Mn3 S12 -","3","0.166667","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.7749","synchrotron","","0.023","0.021","","","0.0513","0.0523","","","","","","1.021","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000772","3.6825","0.0013","3.6825","0.0013","12.192","0.0012","90","","90","","120","","143.18","0.07","150","2","150","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Fe S4 -","- Al2 Fe S4 -","- Al2 Fe S4 -","1","0.0833333","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.7749","synchrotron","","0.0836","0.0566","","","0.1262","0.1498","","","","","","1.134","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000773","10.171","0.0012","10.171","0.0012","10.171","0.0012","90","","90","","90","","1052.2","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/0.5/3.5/8)","","- Cr Ga2 Se16 V7 -","- Cr Ga2 Se16 V7 -","- Cr2 Ga4 Se32 V14 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0284","0.0242","","","0.0489","0.0495","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000774","10.1818","0.0012","10.1818","0.0012","10.1818","0.0012","90","","90","","90","","1055.5","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/1/3/8)","","- Cr Ga Se8 V3 -","- Cr Ga Se8 V3 -","- Cr4 Ga4 Se32 V12 -","4","0.0416667","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0283","0.0241","","","0.0492","0.0497","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000775","10.1661","0.0012","10.1661","0.0012","10.1661","0.0012","90","","90","","90","","1050.7","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/1.5/2.5/8)","","- Cr3 Ga2 Se16 V5 -","- Cr3 Ga2 Se16 V5 -","- Cr6 Ga4 Se32 V10 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0383","0.0322","","","0.0713","0.0733","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000776","10.1623","0.0012","10.1623","0.0012","10.1623","0.0012","90","","90","","90","","1049.5","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/2/2/8)","","- Cr2 Ga Se8 V2 -","- Cr2 Ga Se8 V2 -","- Cr8 Ga4 Se32 V8 -","4","0.0416667","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0215","0.0209","","","0.0499","0.0501","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000777","10.2045","0.0012","10.2045","0.0012","10.2045","0.0012","90","","90","","90","","1062.6","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/2.5/1.5/8)","","- Cr5 Ga2 Se16 V3 -","- Cr5 Ga2 Se16 V3 -","- Cr10 Ga4 Se32 V6 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0249","0.0231","","","0.0507","0.0513","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000778","10.236","0.002","10.236","0.002","10.236","0.002","90","","90","","90","","1072.5","0.4","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/3/1/8)","","- Cr3 Ga Se8 V -","- Cr3 Ga Se8 V -","- Cr12 Ga4 Se32 V4 -","4","0.0416667","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0516","0.0315","","","0.0568","0.06","","","","","","0.813","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000779","10.2525","0.0012","10.2525","0.0012","10.2525","0.0012","90","","90","","90","","1077.7","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/3.5/0.5/8)","","- Cr7 Ga2 Se16 V -","- Cr7 Ga2 Se16 V -","- Cr14 Ga4 Se32 V2 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0205","0.0151","","","0.0338","0.0343","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000780","7.458","0.004","7.458","0.004","7.458","0.004","90","","90","","90","","414.8","0.4","294","2","294","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Bi0.94 Mn7 O12 -","- Bi0.9448 Mn7 O12 -","- Bi1.8896 Mn14 O24 -","2","0.0416667","","Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo","Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12","Chemistry of Materials","2011","23","16","3628","","10.1021/cm200879p","","","0.71073","MoKα","","0.0269","0.0195","","","0.0326","0.0343","","","","","","1.096","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000781","6.4774","0.0016","6.4774","0.0016","6.4774","0.0016","109.57","0.03","109.57","0.03","109.57","0.03","208.44","0.16","294","2","294","2","","","","","","","","3","R 3 :R","P 3*","146","","","","- Bi0.95 Mn7 O12 -","- Bi0.947 Mn7 O12 -","- Bi0.947 Mn7 O12 -","1","0.333333","","Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo","Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12","Chemistry of Materials","2011","23","16","3628","","10.1021/cm200879p","","","0.71073","MoKα","","0.0645","0.0508","","","0.0862","0.0916","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000782","10.779","0.002","10.776","0.001","15.663","0.005","90","","99.993","0.006","90","","1791.7","0.7","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Thallium Gallium Selenide","","- Ga Se2 Tl -","- Ga Se2 Tl -","- Ga16 Se32 Tl16 -","16","2","","Johnsen, Simon; Liu, Zhifu; Peters, John A.; Song, Jung-Hwan; Peter, Sebastian C.; Malliakas, Christos D.; Cho, Nam Ki; Jin, Hosub; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Thallium Chalcogenide-Based Wide-Band-Gap Semiconductors: TlGaSe2for Radiation Detectors","Chemistry of Materials","2011","23","12","3120","","10.1021/cm200946y","","","","","","0.0652","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000783","19.1179","0.0014","19.1179","0.0014","19.1179","0.0014","90","","90","","90","","6987.5","0.9","296","2","296","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Te3 Tl2 Zr -","- Te3 Tl2 Zr -","- Te108 Tl72 Zr36 -","36","3","","Sankar, Cheriyedath Raj; Guch, Mykhailo; Assoud, Abdeljalil; Kleinke, Holger","Structural, Thermal, and Physical Properties of the Thallium Zirconium Telluride Tl2ZrTe3","Chemistry of Materials","2011","23","17","3886","","10.1021/cm200994t","","","0.71073","MoKα","","0.0481","0.0387","","","0.0602","0.0644","","","","","","1.192","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000784","11.2592","0.0009","21.3322","0.0017","13.6198","0.0011","90","","101.797","0.001","90","","3202.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rubrene endoperoxide anisole solvate","5,6,11,12-tetraphenyl-5,6-epidioxytetracene anisole solvate","","- C45.5 H32 O2.5 -","- C42 H28 O2 -","- C168 H112 O8 -","4","1","","Fumagalli, Enrico; Raimondo, Luisa; Silvestri, Leonardo; Moret, Massimo; Sassella, Adele; Campione, Marcello","Oxidation Dynamics of Epitaxial Rubrene Ultrathin Films","Chemistry of Materials","2011","23","13","3246","","10.1021/cm201230j","","","0.71073","MoKα","","0.097","0.0518","","","0.1332","0.1683","","","","","","0.724","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000785","7.6249","0.0006","11.1636","0.0009","22.6554","0.0019","101.703","0.001","94.307","0.001","97.867","0.001","1860","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","rubrene endoperoxide dioxane solvate","5,6,11,12-tetraphenyl-5,6-epidioxytetracene dioxane solvate","","- C50 H44 O6 -","- C50 H44 O6 -","- C100 H88 O12 -","2","1","","Fumagalli, Enrico; Raimondo, Luisa; Silvestri, Leonardo; Moret, Massimo; Sassella, Adele; Campione, Marcello","Oxidation Dynamics of Epitaxial Rubrene Ultrathin Films","Chemistry of Materials","2011","23","13","3246","","10.1021/cm201230j","","","0.71073","MoKα","","0.0691","0.0481","","","0.1174","0.1294","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000786","10.452","","6.391","","10.874","","90","","90","","90","","726.369","","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co F0 Li2 O5 P -","- Co F Li2 O4 P -","- Co8 F8 Li16 O32 P8 -","8","1","","Hadermann, Joke; Abakumov, Artem M.; Turner, Stuart; Hafideddine, Zainab; Khasanova, Nellie R.; Antipov, Evgeny V.; Van Tendeloo, Gustaaf","Solving the Structure of Li Ion Battery Materials with Precession Electron Diffraction: Application to Li2CoPO4F","Chemistry of Materials","2011","23","15","3540","","10.1021/cm201257b","","","0.025","726.3693","","0.244","0.2421","","","0.2371","0.2371","","","","9.11","9.11","8.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000787","18.4561","0.0006","19.2278","0.0007","21.1756","0.0009","75.381","0.002","89.901","0.002","89.104","0.002","7270.4","0.5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","dilithium (N-methyl-N-butylpyrrolidinium) tris(bis(trifluoromethanesulfonyl)imide","","- C60 H80 F72 Li8 N16 O48 S24 -","- C60 H80.044 F72 Li8 N16 O48 S24 -","- C120 H160.088 F144 Li16 N32 O96 S48 -","2","1","","Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A.","Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties","Chemistry of Materials","2011","23","19","4331","","10.1021/cm201427k","","","0.71073","MoKα","","0.1482","0.0481","","","0.0612","0.0721","","","","","","0.729","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000788","18.4848","0.0006","19.1867","0.0006","22.1063","0.0008","74.5677","0.0019","88.853","0.002","89.2831","0.0018","7555.9","0.4","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H88 F72 Li8 N16 O48 S24 -","- C64 H88 F72 Li8 N16 O48 S24 -","- C128 H176 F144 Li16 N32 O96 S48 -","2","1","","Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A.","Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties","Chemistry of Materials","2011","23","19","4331","","10.1021/cm201427k","","","0.71073","MoKα","","0.0947","0.0485","","","0.1131","0.1395","","","","","","1.013","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000789","8.27528","0.00015","8.27528","","8.27528","","90","","90","","90","","566.693","0.01","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li2.03 Ni O8 -","- Ge3 Li2.03043 Ni O8 -","- Ge12 Li8.12172 Ni4 O32 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.07198","","1.49","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000790","8.19851","0.00011","8.19851","","8.19851","","90","","90","","90","","551.067","0.007","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li2 Ni O8 -","- Ge3 Li2 Ni O8 -","- Ge12 Li8 Ni4 O32 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.05515","","1.53","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000791","8.28823","0.00017","8.28823","","8.28823","","90","","90","","90","","569.358","0.012","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li1.99 O8 Zn -","- Ge3 Li1.99416 O8 Zn -","- Ge12 Li7.97664 O32 Zn4 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.11522","","1.43","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000792","14.8683","0.0002","5.6636","0.0001","17.6849","0.0003","90","","90","","90","","1489.21","0.04","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba8 Mo16 O72 Te8 -","8","2","","Zhang, Junjie; Zhang, Zhonghan; Zhang, Weiguo; Zheng, Qingxin; Sun, Youxuan; Zhang, Chengqian; Tao, Xutang","Polymorphism of BaTeMo2O9: A New Polar Polymorph and the Phase Transformation","Chemistry of Materials","2011","23","16","3752","","10.1021/cm2015143","","","0.71073","MoKα","","0.022","0.0205","","","0.0383","0.0387","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000793","9.955","0.003","9.955","0.003","4.228","0.003","90","","90","","120","","362.9","0.3","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.76 K0.24 La0.67 Te2 -","- Cu1.758 K0.241333 La0.666667 Te2 -","- Cu5.274 K0.724 La2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0274","0.0268","","","0.0613","0.0617","","","","","","1.218","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000794","9.9649","0.0009","9.9649","0.0009","4.2042","0.0009","90","","90","","120","","361.54","0.09","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ce0.67 Cu1.76 K0.24 Te2 -","- Ce0.666667 Cu1.756 K0.243333 Te2 -","- Ce2 Cu5.268 K0.73 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.021","0.0203","","","0.0422","0.0426","","","","","","1.32","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000795","9.9598","0.0007","9.9598","0.0007","4.1763","0.0006","90","","90","","120","","358.78","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.75 K0.25 Pr0.67 Te2 -","- Cu1.746 K0.254 Pr0.666667 Te2 -","- Cu5.238 K0.762 Pr2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0203","0.02","","","0.0438","0.0439","","","","","","1.259","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000796","9.9683","0.0006","9.9683","0.0006","4.159","0.0005","90","","90","","120","","357.9","0.05","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.74 K0.26 Nd0.67 Te2 -","- Cu1.744 K0.255333 Nd0.666667 Te2 -","- Cu5.232 K0.766 Nd2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0147","0.0139","","","0.0305","0.0308","","","","","","1.246","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000797","10.0056","0.0008","10.0056","0.0008","4.2336","0.0006","90","","90","","120","","367.05","0.07","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.76 La0.67 Rb0.24 Te2 -","- Cu1.762 La0.666667 Rb0.238667 Te2 -","- Cu5.286 La2 Rb0.716 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.024","0.0231","","","0.0498","0.0503","","","","","","1.244","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000798","10.0014","0.0008","10.0014","0.0008","4.1976","0.0006","90","","90","","120","","363.62","0.07","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ce0.67 Cu1.76 Rb0.24 Te2 -","- Ce0.666667 Cu1.764 Rb0.235333 Te2 -","- Ce2 Cu5.292 Rb0.706 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0198","0.019","","","0.0414","0.0417","","","","","","1.311","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000799","9.9955","0.0006","9.9955","0.0006","4.1643","0.0005","90","","90","","120","","360.31","0.05","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.78 Pr0.67 Rb0.22 Te2 -","- Cu1.782 Pr0.666667 Rb0.218 Te2 -","- Cu5.346 Pr2 Rb0.654 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0209","0.0208","","","0.0456","0.0457","","","","","","1.259","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000800","9.9985","0.0008","9.9985","0.0008","4.1487","0.0006","90","","90","","120","","359.18","0.07","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.77 Nd0.67 Rb0.23 Te2 -","- Cu1.768 Nd0.666667 Rb0.232 Te2 -","- Cu5.304 Nd2 Rb0.696 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0212","0.0211","","","0.0507","0.0507","","","","","","1.277","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000801","10.0841","0.0006","10.0841","0.0006","4.2366","0.0006","90","","90","","120","","373.1","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs0.25 Cu1.75 La0.67 Te2 -","- Cs0.251333 Cu1.7488 La0.666667 Te2 -","- Cs0.754 Cu5.2464 La2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.021","0.0202","","","0.0386","0.0389","","","","","","1.216","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000802","10.0777","0.0007","10.0777","0.0007","4.1918","0.0005","90","","90","","120","","368.68","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ce0.67 Cs0.26 Cu1.74 Te2 -","- Ce0.666667 Cs0.256 Cu1.744 Te2 -","- Ce2 Cs0.768 Cu5.232 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0207","0.0203","","","0.0437","0.0439","","","","","","1.248","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000803","10.0763","0.0008","10.0763","0.0008","4.1702","0.0005","90","","90","","120","","366.68","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs0.24 Cu1.76 Pr0.67 Te2 -","- Cs0.244 Cu1.756 Pr0.666667 Te2 -","- Cs0.732 Cu5.268 Pr2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0189","0.0183","","","0.0408","0.0412","","","","","","1.201","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000804","10.0695","0.0009","10.0695","0.0009","4.1461","0.0008","90","","90","","120","","364.07","0.08","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs0.25 Cu1.75 Nd0.67 Te2 -","- Cs0.249333 Cu1.75 Nd0.666667 Te2 -","- Cs0.748 Cu5.25 Nd2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0242","0.0235","","","0.0443","0.0446","","","","","","1.246","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000805","5.3535","0.0002","5.3535","0.0002","31.0814","0.0012","90","","90","","120","","771.45","0.05","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ce0.33 Pt1.67 Sb0.33 -","- Ce Pt5 Sb -","- Ce6 Pt30 Sb6 -","6","0.333333","","Salamakha, L.; Bauer, E.; Michor, H.; Hilscher, G.; Müller, H.; Svagera, R.; Sologub, O.; Rogl, P.; Hester, J.; Roisnel, T.; Giester, G.; Mudryi, S.","First-Order Phase Transition in a New CaCu5-Related Antimonide, CePt5Sb","Chemistry of Materials","2011","23","17","4016","","10.1021/cm201584f","","","0.71073","MoKα","","0.0322","0.0242","","","0.0544","0.0559","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000806","4.62","0.002","5.747","0.009","4.857","0.003","91.34","0.1","91.48","0.05","84.68","0.09","128.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.45","","","0.0431","0.0382","","","0.0917","0.0934","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000807","4.542","0.006","5.461","0.016","4.98","0.009","90.5","0.2","86.8","0.13","89.84","0.19","123.3","0.5","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","0.5","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.45","","","0.0308","0.0308","","","0.0663","0.0663","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000808","4.695","0.001","5.832","0.001","4.876","0.001","91.64","0.03","92.39","0.03","82.93","0.03","132.34","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.71073","MoKα","","0.0351","0.0342","","","0.0923","0.0932","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000809","4.708","0.001","5.84","0.001","4.884","0.001","91.77","0.03","92.47","0.03","82.81","0.03","133.06","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.71073","MoKα","","0.0267","0.0256","","","0.0653","0.0658","","","","","","1.217","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000810","7.798","0.015","7.212","0.014","10.351","0.019","90","","93.97","0.02","90","","580.7","1.9","125","2","125","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cs2 Cu3 F12 Zr -","- Cs2 Cu3 F12 Zr -","- Cs4 Cu6 F24 Zr2 -","2","0.5","","Reisinger, Sandra A.; Tang, Chiu C.; Thompson, Stephen P.; Morrison, Finlay D.; Lightfoot, Philip","Structural Phase Transition in theS=1/2Kagome System Cs2ZrCu3F12and a Comparison to the Valence-Bond-Solid Phase in Rb2SnCu3F12","Chemistry of Materials","2011","23","18","4234","","10.1021/cm201762f","","","0.71073","MoKα","","0.062","0.0489","","","0.1022","0.1087","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000811","7.156","0.0019","7.156","0.0019","20.447","0.007","90","","90","","120","","906.8","0.5","292","2","292","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cs2 Cu3 F12 Zr -","- Cs2 Cu3 F12 Zr -","- Cs6 Cu9 F36 Zr3 -","3","0.0833333","","Reisinger, Sandra A.; Tang, Chiu C.; Thompson, Stephen P.; Morrison, Finlay D.; Lightfoot, Philip","Structural Phase Transition in theS=1/2Kagome System Cs2ZrCu3F12and a Comparison to the Valence-Bond-Solid Phase in Rb2SnCu3F12","Chemistry of Materials","2011","23","18","4234","","10.1021/cm201762f","","","0.71073","MoKα","","0.0516","0.0474","","","0.0993","0.1041","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000812","5.60125","0.00009","15.661","0.0002","11.25153","0.00017","90","","90","","90","","987","0.03","0","","0","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Fe0.75 Mn0.25 O3 -","- Bi Fe0.75 Mn0.25 O3 -","- Bi16 Fe12 Mn4 O48 -","16","2","","Belik, Alexei A.; Abakumov, Artem M.; Tsirlin, Alexander A.; Hadermann, Joke; Kim, Jungeun; Van Tendeloo, Gustaaf; Takayama-Muromachi, Eiji","Structure and Magnetic Properties of BiFe0.75Mn0.25O3Perovskite Prepared at Ambient and High Pressure","Chemistry of Materials","2011","23","20","4505","","10.1021/cm201774y","powder diffraction","","0.41916","X-ray","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000813","7.6205","0.0002","7.6205","0.0002","32.3603","0.0007","90","","90","","90","","1879.23","0.08","293","","293","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- In2 S3 -","- In2 S3 -","- In32 S48 -","16","0.5","","Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.","Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3","Chemistry of Materials","2011","23","23","5168","","10.1021/cm201830e","","","0.71069","MoKα","","0.0325","0.0229","","","0.068","0.0755","","","","1.16","1.16","1.17","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000814","7.6038","0.0005","7.6038","0.0005","32.26","0.002","90","","90","","90","","1865.2","0.2","293","","293","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Al0.06 In1.94 S3 -","- Al0.06 In1.94 S3 -","- Al0.96 In31.04 S48 -","16","0.5","","Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.","Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3","Chemistry of Materials","2011","23","23","5168","","10.1021/cm201830e","","","0.71069","MoKα","","0.0657","0.0391","","","0.0854","0.1009","","","","1.17","1.17","1.18","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000815","10.699","0.0007","10.699","0.0007","10.699","0.0007","90","","90","","90","","1224.7","0.14","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al0.293 In2.373 S4 -","- Al0.293 In2.374 S4 -","- Al2.344 In18.992 S32 -","8","0.0416667","","Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.","Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3","Chemistry of Materials","2011","23","23","5168","","10.1021/cm201830e","","","0.71069","MoKα","","0.064","0.0474","","","0.1086","0.1144","","","","1.7","1.7","1.57","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000816","20.041","0.003","16.808","0.003","9.9175","0.0013","90","","100.606","0.005","90","","3283.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ea007","ea007","","- C74 H78 N2 O4 S8 -","- C74 H78 N2 O4 S8 -","- C148 H156 N4 O8 S16 -","2","0.5","","Ahmed, Eilaf; Ren, Guoqiang; Kim, Felix S.; Hollenbeck, Emily C.; Jenekhe, Samson A.","Design of New Electron Acceptor Materials for Organic Photovoltaics: Synthesis, Electron Transport, Photophysics, and Photovoltaic Properties of Oligothiophene-Functionalized Naphthalene Diimides","Chemistry of Materials","2011","23","20","4563","","10.1021/cm2019668","","","0.71073","MoKα","","0.2102","0.0995","","","0.2407","0.3197","","","","","","0.995","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000817","11.493","0.002","6.6953","0.0013","12.937","0.003","90","","114.98","0.03","90","","902.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hg3 S4 Tl2 -","- Hg3 S4 Tl2 -","- Hg12 S16 Tl8 -","4","0.5","","Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors","Chemistry of Materials","2011","23","19","4375","","10.1021/cm2019857","","","0.71073","MoKα","","0.0667","0.0463","","","0.1058","0.1351","","","","","","1.15","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000818","11.977","0.002","6.9264","0.0014","13.203","0.003","90","","116.36","0.03","90","","981.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hg3 Se4 Tl2 -","- Hg3 Se4 Tl2 -","- Hg12 Se16 Tl8 -","4","0.5","","Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors","Chemistry of Materials","2011","23","19","4375","","10.1021/cm2019857","","","0.71073","MoKα","","0.0705","0.0589","","","0.1307","0.1358","","","","","","1.179","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000819","12.648","0.003","7.3574","0.0015","13.701","0.003","90","","117.48","0.03","90","","1131.1","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hg3 Te4 Tl2 -","- Hg3 Te4 Tl2 -","- Hg12 Te16 Tl8 -","4","0.5","","Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors","Chemistry of Materials","2011","23","19","4375","","10.1021/cm2019857","","","0.71073","MoKα","","0.0731","0.0513","","","0.0973","0.1032","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000820","6.2034","0.0016","16.478","0.004","14.518","0.004","90","","92.406","0.004","90","","1482.7","0.7","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","- C64 H88 N4 O12 -","2","0.5","","Wang, Siyi; Hall, Lincoln; Diev, Vyacheslav V.; Haiges, Ralf; Wei, Guodan; Xiao, Xin; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","N,N-Diarylanilinosquaraines and Their Application to Organic Photovoltaics","Chemistry of Materials","2011","23","21","4789","","10.1021/cm2020803","","","0.71073","MoKα","","0.089","0.0477","","","0.1021","0.1147","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000821","11.1895","0.0009","11.7874","0.0011","11.9792","0.0009","96.371","0.008","91.176","0.007","92.485","0.007","1568.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DPSQ","","","- C40 H28 N2 O6 -","- C40 H28 N2 O6 -","- C80 H56 N4 O12 -","2","1","","Wang, Siyi; Hall, Lincoln; Diev, Vyacheslav V.; Haiges, Ralf; Wei, Guodan; Xiao, Xin; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","N,N-Diarylanilinosquaraines and Their Application to Organic Photovoltaics","Chemistry of Materials","2011","23","21","4789","","10.1021/cm2020803","","","1.54178","CuKα","","0.1154","0.0819","","","0.224","0.2434","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000823","19.9092","0.0005","7.7405","0.0001","9.5638","0.0002","90","","90","","90","","1473.85","0.05","293","","293","","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C15 H20 N3 O3 -","- C15 H20 N3 O3 -","- C60 H80 N12 O12 -","4","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71073","MoKα","","0.0495","0.0363","","","0.0924","0.0991","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000824","13.922","0.005","11.778","0.005","24.558","0.005","90","","90","","90","","4027","2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N3 O4 -","- C18 H26 N3 O4 -","- C144 H208 N24 O32 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1065","0.084","","","0.2337","0.2643","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000825","7.738","0.005","19.085","0.005","9.148","0.005","90","0.005","102.262","0.005","90","0.005","1320.2","1.2","293","","293","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C52 H72 N12 O8 -","4","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.0716","0.0425","","","0.1043","0.1193","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000826","13.7796","0.0007","12.3236","0.0006","16.0651","0.0004","90","","90","","90","","2728.1","0.2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1108","0.0598","","","0.1436","0.1713","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000827","13.7284","0.0006","12.2673","0.0006","16.0254","0.0008","90","","90","","90","","2698.8","0.2","15","2","15","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.4428","synchrotron","","0.0799","0.0622","","","0.1756","0.1975","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000828","7.3599","0.0004","24.7921","0.0013","29.7428","0.0016","90","","94.438","0.002","90","","5410.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Cs.3DMF","","","- C57 H45 Cs Fe N7 Ni O11 -","- C57 H24 Cs Fe N7 Ni O11 -","- C228 H96 Cs4 Fe4 N28 Ni4 O44 -","4","0.5","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1049","0.0921","","","0.2421","0.2591","","","","","","1.089","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000829","7.2383","0.0004","24.673","0.0013","30.0729","0.0017","90","","94.671","0.002","90","","5352.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Cs.3DMF","","","- C57 H45 Fe N7 Ni O11 Rb -","- C57 H24 Fe N7 Ni O11 Rb -","- C228 H96 Fe4 N28 Ni4 O44 Rb4 -","4","0.5","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1631","0.1309","","","0.2887","0.3053","","","","","","1.132","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000830","7.3772","0.0013","24.965","0.004","29.96","0.005","90","","93.307","0.004","90","","5508.6","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Cs","","","- C24 H12 Cs0.5 Fe0.5 N2 Ni0.5 O4 -","- C24 H12 Cs0.5 Fe0.5 N2 Ni0.5 O4 -","- C192 H96 Cs4 Fe4 N16 Ni4 O32 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1455","0.0648","","","0.1532","0.1768","","","","","","0.832","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000831","7.366","0.003","25.065","0.01","30.377","0.012","90","","93.03","0.008","90","","5601","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Rb","","","- C24 H12 Fe0.5 N2 Ni0.5 O4 Rb0.5 -","- C24 H12 Fe0.5 N2 Ni0.5 O4 Rb0.5 -","- C192 H96 Fe4 N16 Ni4 O32 Rb4 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1618","0.0837","","","0.2193","0.2463","","","","","","0.861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000832","7.228","0.004","24.997","0.016","30.902","0.017","90","","93.167","0.015","90","","5575","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)K(H2O)","","","- C24 H12 Fe0.5 K0.5 N2 Ni0.5 O4.5 -","- C24 H12 Fe0.5 K0.5 N2 Ni0.5 O4.5 -","- C192 H96 Fe4 K4 N16 Ni4 O36 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.194","0.0824","","","0.1999","0.2394","","","","","","0.793","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000833","7.09","0.002","25.628","0.009","30.347","0.01","90","","93.375","0.007","90","","5505","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Na","","","- C24 H12 Fe0.5 N2 Na0.5 Ni0.5 O4 -","- C24 H12 Fe0.5 N2 Na0.5 Ni0.5 O4 -","- C192 H96 Fe4 N16 Na4 Ni4 O32 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.2749","0.1151","","","0.2803","0.3192","","","","","","0.741","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000834","7.4852","0.0011","24.226","0.004","30.107","0.004","90","","93.299","0.004","90","","5450.4","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Li","","","- C24 H12 Fe0.5 Li0.5 N2 Ni0.5 O4 -","- C24 H12 Fe0.5 Li0.5 N2 Ni0.5 O4 -","- C192 H96 Fe4 Li4 N16 Ni4 O32 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1741","0.0705","","","0.1744","0.1989","","","","","","0.764","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000835","4.6232","0.0009","8.008","0.003","14.182","0.003","90","","90","0.03","90","","525.1","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- B2 Be2 Ca F Na O6 -","- B2 Be2 Ca F Na O6 -","- B8 Be8 Ca4 F4 Na4 O24 -","4","1","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0604","0.0546","","","0.1285","0.1304","","","","","","0.999","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000836","4.7054","0.0016","4.7054","0.0016","14.554","0.003","90","","90","","120","","279.07","0.15","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- B2 Be2 Ca F K O6 -","- B2 Be2 Ca F K O6 -","- B4 Be4 Ca2 F2 K2 O12 -","2","0.166667","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0215","0.0193","","","0.0666","0.0688","","","","","","1.09","","","","has coordinates","265253","2021-05-16","09:36:35",""
"4000837","4.7652","0.001","4.7652","0.001","15.05","0.003","90","","90","","120","","295.96","0.11","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B2 Be2 F K O6 Sr -","- B2 Be2 F K O6 Sr -","- B4 Be4 F2 K2 O12 Sr2 -","2","0.166667","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0392","0.0302","","","0.0603","0.0612","","","","","","2.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001981","7.27159","","7.52962","","7.9625","","89.5496","","91.0516","","63.0123","","388.361","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- F4 Fe4 Li8 O16 P4 -","- F4 Fe4 Li8 O16 P4 -","- F4 Fe4 Li8 O16 P4 -","1","0.5","","Mueller, Tim; Hautier, Geoffroy; Jain, Anubhav; Ceder, Gerbrand","Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing","Chemistry of Materials","2011","23","17","3854","","10.1021/cm200753g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001982","5.45338","","7.51205","","5.33977","","108.606","","95.8897","","107.392","","193.039","","","","","","","","","","","","","5","P 1","P 1","1","","","","- F2 Fe2 Li4 O8 P2 -","- F2 Fe2 Li4 O8 P2 -","- F2 Fe2 Li4 O8 P2 -","1","1","","Mueller, Tim; Hautier, Geoffroy; Jain, Anubhav; Ceder, Gerbrand","Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing","Chemistry of Materials","2011","23","17","3854","","10.1021/cm200753g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025916","11.4051","0.0003","18.8143","0.0006","11.9865","0.0004","90","","110.787","0.002","90","","2404.63","0.13","268","2","268","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 B O21 Sr -","- C12 H25 B O21 Sr -","- C48 H100 B4 O84 Sr4 -","4","1","","I.I. Zviedre; S.V. Belyakov","A Restudy of the Crystal Structure of Tetraaquastrontium Dicitratoborate Trihydrate","Russian Journal of Inorganic Chemistry","2011","56","3","375","382","10.1134/S0036023611030284","","","0.71073","MoKα","","0.0789","0.0547","","","0.1342","0.1474","","","","","","1.043","","","","has coordinates,has Fobs","178438","2020-10-21","18:00:00",""
"4025918","17.419","0.0017","7.4383","0.0007","19.102","0.002","90","","107.558","0.005","90","","2359.7","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F6 N12 O5 -","- C20 H18 F6 N12 O5 -","- C80 H72 F24 N48 O20 -","4","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0739","0.0616","","","0.1506","0.1525","","","","","","1.076","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025919","9.4341","0.0004","9.6042","0.0005","16.7333","0.0013","95.152","0.005","98.059","0.004","111.604","0.003","1379.16","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C23 H27 Cl3 N12 O2 S2 -","- C23 H27 Cl3 N12 O2 S2 -","- C46 H54 Cl6 N24 O4 S4 -","2","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.1994","0.0892","","","0.1831","0.2195","","","","","","1.004","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025920","7.9366","0.0014","16.99","0.001","19.563","0.001","90","","113.204","0.009","90","","2424.5","0.5","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N12 O2 S2 -","- C20 H26 N12 O2 S2 -","- C80 H104 N48 O8 S8 -","4","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0544","0.0541","","","0.1278","0.1279","","","","","","1.061","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025921","18.1219","0.0019","15.1818","0.0015","17.9876","0.0016","90","","119.062","0.004","90","","4325.7","0.8","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 F21 N12 O14 -","- C30 H21 F21 N12 O14 -","- C120 H84 F84 N48 O56 -","4","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0783","0.0698","","","0.1699","0.1721","","","","","","1.17","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025922","15.4348","0.0004","5.1653","0.0002","12.6502","0.0003","90","","95.858","0.001","90","","1003.28","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 N12 O2 -","- C18 H22 N12 O2 -","- C36 H44 N24 O4 -","2","0.5","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0456","0.0446","","","0.1381","0.1396","","","","","","1.065","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025923","14.5409","0.0013","14.7369","0.0012","21.9376","0.0017","84.221","0.004","82.535","0.004","69.26","0.004","4351.5","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C59 H56 Cl2 N36 O2 S2 -","- C59 H56 Cl2 N36 O2 S2 -","- C118 H112 Cl4 N72 O4 S4 -","2","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.0707","0.0646","","","0.1544","0.1553","","","","","","1.008","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025924","11.0524","0.0002","11.1745","0.0002","11.6989","0.0003","88.33","0.001","67.213","0.001","76.467","0.001","1292.07","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C22 H26 N12 O2 S2 -","- C22 H26 N12 O2 S2 -","- C44 H52 N24 O4 S4 -","2","1","","Adam Duong; Thierry Maris; Olivier Lebel; James D. Wuest","Syntheses and Structures of Isomeric Diaminotriazinyl-Substituted 2,2'-Bipyridines and 1,10-Phenanthrolines","Journal of Organic Chemistry","2011","76","","1333","1341","10.1021/jo102191n","","","1.54178","CuKα","","0.057","0.0537","","","0.128","0.1288","","","","","","1.059","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025925","15.8798","0.0011","15.026","0.0011","8.5564","0.0006","90","","90","","90","","2041.6","0.3","173","2","173","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","3,4-diphenyl-2-methyl-5-methylidene-1-phenylethynylcyclopent-1-ene","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","0.5","","Curtis J. Rieder; Karl J. Winberg; F. G. West","Olefination of α,α'-Divinyl Ketones through Catalytic Meyer-Schuster Rearrangement","Journal of Organic Chemistry","2011","76","","50","56","10.1021/jo101497f","","","0.71073","MoKα","","0.0443","0.0337","","","0.0803","0.0869","","","","","","1.032","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025926","19.739","0.003","11.6636","0.0018","19.941","0.003","90","","98.303","0.006","90","","4542.9","1.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 Li4 O8 -","- C40 H72 Li4 O8 -","- C160 H288 Li16 O32 -","4","1","","Gerald Kagan; Weibin Li; Chengzao Sun; Russell Hopson; Paul G. Williard","Synthesis, Characterization, and Reaction of a Ketone-Derived 1,4-Dienolate Compound","Journal of Organic Chemistry","2011","76","","65","70","10.1021/jo1015163","","","0.71073","MoKα","","0.1917","0.0801","","","0.1977","0.2397","","","","","","1.091","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025927","45.395","0.013","9.133","0.003","16.71","0.005","90","","104.389","0.004","90","","6711","4","196","2","196","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C304 H448 O48 -","16","2","","Gerald Kagan; Weibin Li; Chengzao Sun; Russell Hopson; Paul G. Williard","Synthesis, Characterization, and Reaction of a Ketone-Derived 1,4-Dienolate Compound","Journal of Organic Chemistry","2011","76","","65","70","10.1021/jo1015163","","","0.71073","MoKα","","0.0859","0.0608","","","0.1452","0.1642","","","","","","1.037","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025928","14.159","0.002","6.4481","0.0012","30.788","0.009","90","","90","","90","","2810.9","1.1","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C136 H176 O24 -","8","2","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.0823","0.0438","","","0.0915","0.1077","","","","","","1.006","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025929","5.4774","0.0011","9.2965","0.0018","13.809","0.003","101.285","0.003","96.906","0.003","92.077","0.003","683.3","0.2","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.0615","0.0499","","","0.1305","0.1413","","","","","","1.038","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025930","6.464","0.0009","12.269","0.0017","13.6975","0.0018","83.627","0.007","81.274","0.007","79.7","0.008","1052.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Br N O3 -","- C22 H30 Br N O3 -","- C44 H60 Br2 N2 O6 -","2","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.1251","0.0573","","","0.1414","0.1747","","","","","","1.011","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025931","14.528","0.002","13.544","0.002","21.691","0.003","90","","90","","90","","4268.1","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Br N O3 -","- C22 H30 Br N O3 -","- C176 H240 Br8 N8 O24 -","8","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.1615","0.0772","","","0.2","0.2495","","","","","","1.031","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025932","10.137","0.009","7.272","0.007","20.597","0.019","90","","99.252","0.011","90","","1499","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.7107","MoKα","","0.0919","0.0646","","","0.1736","0.2138","","","","","","1.019","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025933","13.6954","0.0004","6.38506","0.00018","17.6341","0.0006","90","","104.081","0.003","90","","1495.7","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C60 H64 Br4 N4 O20 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0614","0.0476","","","0.1128","0.1183","","","","","","1.042","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025934","6.57204","0.00016","10.0357","0.0004","11.8115","0.0004","95.809","0.003","94.674","0.002","105.721","0.003","741.2","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C30 H26 Br2 F8 O6 -","2","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0287","0.027","","","0.0665","0.0675","","","","","","1.039","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025935","11.91851","0.00014","6.03915","0.00009","21.21","0.0003","90","","97.2047","0.0012","90","","1514.59","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C60 H64 Br4 N4 O20 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0509","0.0363","","","0.0849","0.0899","","","","","","1.038","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025936","11.0594","0.0006","6.8012","0.0003","20.1769","0.0009","90","","92.102","0.004","90","","1516.63","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C60 H52 Br4 F16 O12 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.1001","0.0627","","","0.1873","0.2129","","","","","","1.101","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025937","13.0338","0.0005","9.1341","0.0004","7.5874","0.0003","90","","93.62","0.003","90","","901.49","0.06","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br Cl O -","- C8 H12 Br Cl O -","- C32 H48 Br4 Cl4 O4 -","4","0.5","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","0.71073","MoKα","","0.0448","0.0303","","","0.0823","0.092","","","","","","1.091","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025938","11.1774","0.00011","7.41636","0.00011","17.15108","0.00017","90","","101.722","0.001","90","","1392.1","0.03","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C60 H68 Br4 O12 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0559","0.0488","","","0.0994","0.1012","","","","","","1.295","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025939","7.0794","0.00012","31.7774","0.0003","7.32126","0.00012","90","","117.338","0.002","90","","1463.07","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C60 H64 Br4 N4 O20 -","4","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0287","0.0282","","","0.0652","0.0654","","","","","","1.148","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025940","7.08444","0.0001","13.3213","0.0002","31.0102","0.0004","90","","90","","90","","2926.56","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C120 H104 Br8 F32 O24 -","8","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0372","0.0313","","","0.0853","0.0887","","","","","","1.069","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025941","12.6909","0.0004","8.761","0.0004","8.0814","0.0002","90","","90","","90","","898.53","0.05","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Br Cl O -","- C8.0036 H12.0036 Br1.0018 Cl1.0018 O -","- C32.0144 H48.0144 Br4.0072 Cl4.0072 O4 -","4","0.5","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","0.71073","MoKα","","0.0574","0.0319","","","0.0728","0.0817","","","","","","1.109","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025942","15.516","0.003","11.029","0.0013","16.725","0.002","90","","91.007","0.01","90","","2861.6","0.7","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C120 H128 Cl8 N8 O32 -","8","2","","Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo","Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations","Journal of Organic Chemistry","2011","76","","2","12","10.1021/jo101638r","","","1.54178","CuKα","","0.0707","0.0425","","","0.0962","0.1038","","","","","","1","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025943","10.6099","0.0007","10.7142","0.0007","13.7817","0.0008","90","","105.557","0.004","90","","1509.26","0.17","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl N O4 -","- C15 H20 Cl N O4 -","- C60 H80 Cl4 N4 O16 -","4","2","","Henry Nguyen; Gil Ma; Tatiana Gladysheva; Trisha Fremgen; Daniel Romo","Bioinspired Total Synthesis and Human Proteasome Inhibitory Activity of (-)-Salinosporamide A, (-)-Homosalinosporamide A, and Derivatives Obtained via Organonucleophile Promoted Bis-cyclizations","Journal of Organic Chemistry","2011","76","","2","12","10.1021/jo101638r","","","1.54178","CuKα","","0.0844","0.0537","","","0.112","0.1229","","","","","","1.06","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025944","5.6153","0.0008","16.599","0.002","18.194","0.002","90","","90","","90","","1695.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C76 H60 Br4 O16 -","4","1","","Ying Cheng; Jing An; Liang-Qiu Lu; Lan Luo; Zheng-Yi Wang; Jia-Rong Chen; Wen-Jing Xiao","Asymmetric Cyclopropanation of β,γ-Unsaturated α-Ketoesters with Stabilized Sulfur Ylides Catalyzed by C2-Symmetric Ureas","Journal of Organic Chemistry","2011","76","","281","284","10.1021/jo101699r","","","0.71073","MoKα","","0.0707","0.044","","","0.0993","0.1087","","","","","","1.01","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025945","7.594","0.003","9.67","0.003","27.818","0.008","90","","90","","90","","2042.8","1.2","150","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.1472","0.0448","","","0.0875","0.1033","","","","","","0.727","","","","has coordinates","219285","2020-10-21","18:00:00",""
"4025946","14.4663","0.0004","26.1325","0.0007","17.0631","0.0005","90","","96.133","0.003","90","","6413.6","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H82 N2 O10.5 -","- C68 H82 N2 O10.5 -","- C272 H328 N8 O42 -","4","2","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.1458","0.0863","","","0.1492","0.1814","","","","","","1.07","","","","has coordinates","219285","2020-10-21","18:00:00",""
"4025947","12.4869","0.0006","21.3283","0.0011","13.0729","0.0007","90","","107.35","0.001","90","","3323.2","0.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H91 N2 O13 S2 -","- C70 H91 N2 O13 S2 -","- C140 H182 N4 O26 S4 -","2","1","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.0598","0.0499","","","0.1253","0.1299","","","","","","0.977","","","","has coordinates,has disorder","219285","2020-10-21","18:00:00",""
"4025948","32.186","0.004","11.5459","0.0013","12.7286","0.0015","90","","104.996","0.003","90","","4569.1","0.9","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C39 H44 F6 N2 O10 P -","- C38 H28 F6 N2 O10 P -","- C152 H112 F24 N8 O40 P4 -","4","0.5","","Moorthy Suresh; Amal Kumar Mandal; Manoj K. Kesharwani; N. N. Adarsh; Bishwajit Ganguly; Ravi Kumar Kanaparthi; Anunay Samanta; Amitava Das","Folding and Unfolding Movements in a [2]Pseudorotaxane","Journal of Organic Chemistry","2011","76","","138","144","10.1021/jo101762k","","","0.71073","MoKα","","0.237","0.1828","","","0.4525","0.4747","","","","","","1.493","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025949","12.65","0.004","14.152","0.005","15.8","0.006","90","","111.575","0.014","90","","2630.4","1.6","298.1","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H21 Cl3 O2 -","- C33 H21 Cl3 O2 -","- C132 H84 Cl12 O8 -","4","1","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.0688","","","","0.2143","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025950","12.979","0.002","8.4621","0.0015","16.92","0.003","90","","101.129","0.004","90","","1823.4","0.5","298.1","","298","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 O3 -","- C26 H16 O3 -","- C104 H64 O12 -","4","1","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.052","","","","0.0468","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025951","12.2401","0.0004","18.7937","0.0007","11.7298","0.0004","90","","90","","90","","2698.29","0.16","298.1","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H32 O3 Si2 -","- C32 H32 O3 Si2 -","- C128 H128 O12 Si8 -","4","0.5","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.0632","","","","0.1413","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025952","8.239","0.0009","16.923","0.0005","7.936","0.002","90","","95.924","0.008","90","","1100.6","0.3","198","2","198","2","","","101.3","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","DM226","4-phenyl-1-ethyl-4H-1,2,4-triazolium bromide","","- C10 H12 Br N3 -","- C10 H12 Br N3 -","- C40 H48 Br4 N12 -","4","1","","Dirk Meyer; Thomas Strassner","1,2,4-Triazole-Based Tunable Aryl/Alkyl Ionic Liquids","Journal of Organic Chemistry","2011","76","","305","308","10.1021/jo101784v","","","0.71073","MoKα","","0.0639","0.0323","","","0.0583","0.0661","","","","","","1.04","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025953","10.449","0.002","5.8194","0.0007","23.624","0.011","90","","91.05","0.03","90","","1436.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Alexandre Drouin; Dana K. Winter; Simon Pichette; Samuel Aubert-Nicol; Jean Lessard; Claude Spino","Photochemical Rearrangement of N-Mesyloxylactams: Stereospecific Formation of N-Heterocycles","Journal of Organic Chemistry","2011","76","","164","169","10.1021/jo101805q","","","1.54176","CuKα","","0.151","0.1037","","","0.2997","0.3384","","","","","","1.205","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025954","8.6082","0.001","13.6635","0.0016","21.298","0.003","97.782","0.002","90.026","0.002","102.338","0.002","2423.5","0.5","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 F7 N O6 S4 -","- C20 H10 F7 N O6 S4 -","- C80 H40 F28 N4 O24 S16 -","4","2","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.1564","0.0672","","","0.1771","0.2239","","","","","","0.972","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025955","7.9267","0.0015","8.4428","0.0016","18.761","0.003","85.534","0.003","78.675","0.003","76.174","0.003","1194.8","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H12 F3 N O6 S4 -","- C23 H12 F3 N O6 S4 -","- C46 H24 F6 N2 O12 S8 -","2","1","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0984","0.0542","","","0.1429","0.163","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025956","7.893","0.003","8.096","0.003","16.569","0.006","92.716","0.007","100.458","0.006","107.625","0.006","986.4","0.6","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 F3 N O6 S4 -","- C18 H10 F3 N O6 S4 -","- C36 H20 F6 N2 O12 S8 -","2","1","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0834","0.0423","","","0.0894","0.1023","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025957","8.796","0.004","9.291","0.004","13.986","0.007","74.506","0.008","89.266","0.008","69.251","0.008","1025.8","0.8","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O6 S4 -","- C19 H15 N O6 S4 -","- C38 H30 N2 O12 S8 -","2","1","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0898","0.0456","","","0.1272","0.1545","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025958","8.3891","0.0004","10.8253","0.0003","34.158","0.001","90","","95.085","0.002","90","","3089.83","0.19","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O4 S4 -","- C14 H10 O4 S4 -","- C112 H80 O32 S32 -","8","2","","Francisco Otón; Raphael Pfattner; Neil S. Oxtoby; Marta Mas-Torrent; Klaus Wurst; Xavier Fontrodona; Yoann Olivier; Jérôme Cornil; Jaume Veciana; Concepció Rovira","Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors","Journal of Organic Chemistry","2011","76","","154","163","10.1021/jo101817j","","","0.71073","MoKα","","0.0923","0.0461","","","0.0986","0.1116","","","","","","1.058","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025959","8.7378","0.0009","30.43","0.003","10.316","0.0011","90","","103.209","0.007","90","","2670.4","0.5","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H50 N8 O8 -","- C55 H58 N6 O12 -","- C110 H116 N12 O24 -","2","1","","Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc","Absolute Control of Helical Handedness in Quinoline Oligoamides","Journal of Organic Chemistry","2011","76","","195","200","10.1021/jo1019442","","","1.5418","CuKα","","0.0667","0.0649","","","0.1757","0.1795","","","","","","1.041","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025960","13.94","0.003","13.983","0.003","52.858","0.011","90","","90.15","0.03","90","","10303","4","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H124 N12 O19.5 -","- C111.08 H126.85 N12 O19 -","- C444.32 H507.4 N48 O76 -","4","2","","Amol M. Kendhale; Legiso Poniman; Zeyuan Dong; Katta Laxmi-Reddy; Brice Kauffmann; Yann Ferrand; Ivan Huc","Absolute Control of Helical Handedness in Quinoline Oligoamides","Journal of Organic Chemistry","2011","76","","195","200","10.1021/jo1019442","","","1.54178","CuKα","","0.0876","0.0862","","","0.2754","0.2796","","","","","","1.458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025961","11.2296","0.0014","11.7774","0.0017","14.126","0.002","102.296","0.004","91.591","0.004","93.968","0.004","1819.3","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 B10 F12 O -","- C34 H24 B10 F11.757 -","- C68 H48 B20 F23.514 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.1346","0.0865","","","0.1879","0.2208","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025962","10.4393","0.0009","12.2198","0.0013","14.1016","0.0011","98.984","0.003","106.723","0.003","107.19","0.003","1587.6","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 B10 Cl3 -","- C31 H29 B10 Cl3 -","- C62 H58 B20 Cl6 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.0915","0.0574","","","0.1501","0.2145","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025963","8.2198","0.001","10.281","0.0014","18.703","0.003","99.832","0.005","91.778","0.005","110.184","0.004","1454.8","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 B10 -","- C32 H32 B10 -","- C64 H64 B20 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.1894","0.0856","","","0.1968","0.2848","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025964","8.503","0.001","10.1555","0.0012","18.029","0.002","83.84","0.004","86.802","0.004","74.078","0.004","1487.9","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 B10 O2 -","- C32 H32 B10 O2 -","- C64 H64 B20 O4 -","2","1","","Kenta Kokado; Yoshiki Chujo","Multicolor Tuning of Aggregation-Induced Emission through Substituent Variation of Diphenyl-o-carborane","Journal of Organic Chemistry","2011","76","","316","319","10.1021/jo101999b","","","0.71075","MoKα","","0.2348","0.0993","","","0.1594","0.2145","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025965","9.0443","0.0008","16.3435","0.0015","11.2531","0.001","90","","102.295","0.002","90","","1625.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 I N2 -","- C21 H13 I N2 -","- C84 H52 I4 N8 -","4","1","","Huang-Che Ouyang; Ri-Yuan Tang; Ping Zhong; Xing-Guo Zhang; Jin-Heng Li","CuI/I2-Promoted Electrophilic Tandem Cyclization of 2-Ethynylbenzaldehydes with ortho-Benzenediamines: Synthesis of Iodoisoquinoline-Fused Benzimidazoles","Journal of Organic Chemistry","2011","76","","223","228","10.1021/jo102060j","","","0.71073","MoKα","","0.0391","0.0325","","","0.0785","0.0813","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025966","10.529","0.007","15.041","0.01","17.359","0.012","111.84","0.008","90.489","0.008","92.944","0.008","2547","3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl r-4-benzoyl-c-2,c-5-diphenyltetrahydrofuran-3,3-dicarboxylate","","- C58 H56 O12 -","- C58 H56 O12 -","- C116 H112 O24 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.214","0.1279","","","0.3492","0.402","","","","","","1.219","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025967","19.5178","0.0019","8.2127","0.0008","15.4641","0.0015","90","","95.498","0.001","90","","2467.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl r-4-benzoyl-t-2,c-5-diphenyltetrahydrofuran-3,3-dicarboxylate","","- C29 H28 O6 -","- C29 H28 O6 -","- C116 H112 O24 -","4","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0791","0.0463","","","0.1211","0.1357","","","","","","1.256","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025968","9.752","0.003","11.53","0.003","13.417","0.006","106.912","0.004","101.977","0.004","110.918","0.003","1263.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl r-4-benzoyl-t-2,t-5-diphenyltetrahydrofuran-3,3-dicarboxylate","","- C29 H28 O6 -","- C29 H28 O6 -","- C58 H56 O12 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0676","0.0514","","","0.1447","0.1612","","","","","","1.032","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025969","9.2997","0.0011","11.2333","0.0014","11.47","0.0014","109.92","0.001","101.435","0.002","102.394","0.002","1051.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-(1-benzoyl-2-chloro-2-phenylethyl)malonate","","- C22 H23 Cl O5 -","- C22 H23 Cl O5 -","- C44 H46 Cl2 O10 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0918","0.0637","","","0.1237","0.127","","","","","","2.993","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025970","8.565","0.004","10.946","0.005","14.765","0.007","77.125","0.006","89.991","0.006","83.694","0.005","1340.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl r-4-benzoyl-c-2-(2,4-dichlorophenyl)-c-5-phenyltetrahydrofuran-3,3-dicarboxylate","","- C29 H26 Cl2 O6 -","- C29 H26 Cl2 O6 -","- C58 H52 Cl4 O12 -","2","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.1493","0.0611","","","0.1431","0.1922","","","","","","0.941","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025971","25.425","0.008","8.233","0.003","16.032","0.005","90","","128.514","0.003","90","","2625.8","1.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Diethyl r-4-benzoyl-t-2-(4-anisyl)-c-5-phenyltetrahydrofuran-3,3-dicarboxylate","","- C30 H30 O7 -","- C30 H30 O7 -","- C120 H120 O28 -","4","1","","Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua","AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans","Journal of Organic Chemistry","2011","76","","229","233","10.1021/jo1020773","","","0.71073","MoKα","","0.0879","0.0448","","","0.1015","0.1237","","","","","","1.03","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025972","9.858","0.002","12.708","0.003","17.854","0.003","103.988","0.006","93.374","0.005","92.078","0.006","2163.6","0.8","123.2","","123.2","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H54 O14 -","- C47 H30 O14 -","- C94 H60 O28 -","2","1","","Tomoki Ogoshi; Takamichi Aoki; Keisuke Kitajima; Shuhei Fujinami; Tada-aki Yamagishi; Yoshiaki Nakamoto","Facile, Rapid, and High-Yield Synthesis of Pillar[5]arene from Commercially Available Reagents and Its X-ray Crystal Structure","Journal of Organic Chemistry","2011","76","","328","331","10.1021/jo1020823","","","0.7107","MoK?a","","","0.0753","","","","0.1077","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025973","7.4632","0.0003","22.1589","0.001","9.6495","0.0004","90","","94.64","0.003","90","","1590.57","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Xiao-Feng Xia; Xing-Zhong Shu; Ke-Gong Ji; Ali Shaukat; Xue-Yuan Liu; Yong-Min Liang","Platinum/Scandium-Cocatalyzed Cascade Cyclization and Ring-Opening Reaction of Tertiary Amines with Substituted Salicylaldehydes to Synthesize 3-(Aminoalkyl)coumarins","Journal of Organic Chemistry","2011","76","","342","345","10.1021/jo102219z","","","0.71073","MoKα","","0.0731","0.042","","","0.093","0.1089","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025974","14.9767","0.0017","5.8222","0.0008","17.535","0.002","90","","101.735","0.004","90","","1497","0.3","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Li-Li Zhu; Ya-Hui Wang; Yu-Xin Zhang; Xiao-Xiao Li; Heng Liu; Zili Chen","Gold Catalyzed Carbocyclization of Dienyl Acetates to Construct Mutifunctionalized 3-Vinyl Cyclohexanol Derivatives","Journal of Organic Chemistry","2011","76","","441","449","10.1021/jo1018014","","","0.7107","MoKα","","0.0631","0.0462","","","0.1425","0.1963","","","","","","1.166","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025975","17.771","0.002","5.337","0.0008","20.316","0.003","90","","103.394","0.008","90","","1874.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O2 S -","- C20 H22 Cl N O2 S -","- C80 H88 Cl4 N4 O8 S4 -","4","1","","Li-Li Zhu; Ya-Hui Wang; Yu-Xin Zhang; Xiao-Xiao Li; Heng Liu; Zili Chen","Gold Catalyzed Carbocyclization of Dienyl Acetates to Construct Mutifunctionalized 3-Vinyl Cyclohexanol Derivatives","Journal of Organic Chemistry","2011","76","","441","449","10.1021/jo1018014","","","0.71075","MoKα","","0.0754","0.0603","","","0.1095","0.1153","","","","","","1.199","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025976","8.7484","0.0002","14.5938","0.0004","9.8507","0.0002","90","","108.899","0.002","90","","1189.86","0.05","200","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0606","0.0469","","","0.1391","0.1574","","","","","","1.135","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025977","6.74","0.02","12.46","0.04","15.25","0.05","90","","91.77","0.07","90","","1280","7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.2822","0.1771","","","0.3848","0.4406","","","","","","1.116","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025978","6.313","0.0002","10.453","0.0003","20.321","0.0007","90.038","0.001","90.026","0.001","90.037","0.002","1340.98","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","2","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0632","0.0431","","","0.1232","0.1461","","","","","","1.062","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025979","7.5626","0.0003","10.9151","0.0003","11.7483","0.0003","108.667","0.001","98.922","0.001","100.822","0.001","877.97","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0671","0.0571","","","0.1653","0.1785","","","","","","1.599","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025980","13.0697","0.0003","7.719","0.0002","18.146","0.0005","90","","98.078","0.001","90","","1812.5","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.1106","0.0816","","","0.228","0.2584","","","","","","1.075","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025981","7.6607","0.0003","7.7335","0.0003","10.9132","0.0004","106.496","0.002","96.783","0.002","106.6","0.002","579.96","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N2 O4 -","- C11 H9 Cl N2 O4 -","- C22 H18 Cl2 N4 O8 -","2","1","","Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling","Journal of Organic Chemistry","2011","76","","424","434","10.1021/jo1018393","","","0.71073","MoKα","","0.0509","0.0443","","","0.118","0.1239","","","","","","1.005","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025982","5.6403","0.0006","7.5628","0.0008","18.575","0.002","90","","91","0.006","90","","792.22","0.15","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0586","0.0512","","","0.119","0.1276","","","","","","1.043","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025983","5.2982","0.0003","10.8741","0.0006","26.5635","0.0019","90","","90","","90","","1530.41","0.16","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(2,2-Dimethyl-propoxycarbonylamino)-2-hydroxy-3-phenyl-propionic acid methyl ester","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0322","0.0306","","","0.077","0.0789","","","","","","1.045","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025984","8.2984","0.0003","5.8941","0.0002","11.0767","0.0008","90","","108.428","0.008","90","","514","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Oxo-4-phenyl-oxazolidine-5-carboxylic acid methyl ester","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0301","0.0271","","","0.0629","0.0658","","","","","","1.088","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025985","10.2606","0.0006","6.0075","0.0003","32.542","0.0018","90","","98.465","0.001","90","","1984.05","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","2","","Sadagopan Raghavan; Vaddela Sudheer Babu; B. Sridhar","Mercury(II)-Mediated Cleavage of Cyclopropylcarbinols by an Intramolecular Sulfinyl Group as a Stereo- and Regioselective Route to Stereotriads and Stereotetrads","Journal of Organic Chemistry","2011","76","","557","565","10.1021/jo1019909","","","0.71073","MoKα","","0.0703","0.0578","","","0.1378","0.1464","","","","","","1.039","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025986","8.767","0.003","8.8718","0.0011","15.547","0.004","93.997","0.014","115.68","0.02","101.219","0.017","1052.6","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H20 B0 F0 N O0 P -","- C28 H20 N P -","- C56 H40 N2 P2 -","2","1","","Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Anatolyi A. Borisenko; Andrey V. Mironov; Rolf Gleiter; Nikolay S. Zefirov","Photochemical Synthesis of Phosphinolines from Phosphonium-Iodonium Ylides","Journal of Organic Chemistry","2011","76","","566","572","10.1021/jo101993a","","","0.71069","MoKα","","0.0404","0.0404","","","0.0605","0.0605","","","","1.71","1.71","1.71","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025987","6.9349","0.0007","23.64","0.003","8.4832","0.0009","90","","111.194","0.002","90","","1296.7","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-(2,6-dimethoxyphenyl)-2-oxopropyl acetate","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Nayan Ghosh; Sanatan Nayak; Akhila K. Sahoo","Gold-Catalyzed Regioselective Hydration of Propargyl Acetates Assisted by a Neighboring Carbonyl Group: Access to α-Acyloxy Methyl Ketones and Synthesis of (\±)-Actinopolymorphol B","Journal of Organic Chemistry","2011","76","","500","511","10.1021/jo101995g","","","0.71073","MoKα","","0.0543","0.046","","","0.1154","0.1214","","","","","","1.041","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025988","8.132","0.004","8.188","0.004","10.529","0.005","90","","91.449","0.014","90","","700.8","0.6","292","1","292","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H10 Br N O2 -","- C16 H10 Br N O2 -","- C32 H20 Br2 N2 O4 -","2","1","","Claudia De Fusco; Consiglia Tedesco; Alessandra Lattanzi","Organocatalytic Stereoselective Epoxidation of Trisubstituted Acrylonitriles","Journal of Organic Chemistry","2011","76","","676","679","10.1021/jo102020a","","","1.54187","CuKα","","0.0905","0.0638","","","0.1501","0.2247","","","","","","1.021","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025989","11.393","0.002","22.375","0.004","11.623","0.002","90","","103.254","0.003","90","","2884","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H60 F6 N6 Ni2 O6 -","- C62 H60 F6 N6 Ni2 O6 -","- C124 H120 F12 N12 Ni4 O12 -","2","1","","Jiang Wang; Daizong Lin; Shengbin Zhou; Xiao Ding; Vadim A. Soloshonok; Hong Liu","Asymmetric Synthesis of Sterically and Electronically Demanding Linear ω-Trifluoromethyl Containing Amino Acids via Alkylation of Chiral Equivalents of Nucleophilic Glycine and Alanine","Journal of Organic Chemistry","2011","76","","684","687","10.1021/jo102031b","","","0.71073","MoKα","","0.0435","0.0368","","","0.0842","0.0864","","","","","","0.94","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025990","10.2111","0.0002","13.3943","0.0003","12.677","0.0003","90","","108.913","0.001","90","","1640.23","0.06","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Wei Wang; Sarah Ollio; Eberhardt Herdtweck; Alexander Dömling","Polycyclic Compounds by Ugi-Pictet-Spengler Sequence","Journal of Organic Chemistry","2011","76","","637","644","10.1021/jo102058s","","","1.5418","CuKα","","0.0378","0.035","","","0.0907","0.0941","","","","","","1.032","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025991","3.883","0.002","13.708","0.008","6.933","0.004","90","","96.545","0.012","90","","366.6","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","6-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C18 H16 N4 O2 -","2","1","","Annamária Molnár; Zoltán Mucsi; Gábor Vlád; Kálmán Simon; Tamás Holczbauer; Benjámin Podányi; Ferenc Faigl; István Hermecz","Ring Transformation of Unsaturated N-Bridgehead Fused Pyrimidin-4(3H)-ones: Role of Repulsive Electrostatic Nonbonded Interaction","Journal of Organic Chemistry","2011","76","","696","699","10.1021/jo102079k","","","0.71075","MoKα","","0.0531","0.0456","","","0.1038","0.1077","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025992","11.7943","0.0008","15.034","0.0011","7.5926","0.0005","90","","97.664","0.001","90","","1334.26","0.16","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-Phenyl-4-phenylethynyl-1,2-cyclobutenedione","","","- C18 H10 O2 -","- C18 H10 O2 -","- C72 H40 O8 -","4","1","","Mallesh Beesu; Mariappan Periasamy","Reactive Iron Carbonyl Reagents via Reaction of Metal Alkoxides with Fe(CO)5 or Fe2(CO)9: Synthesis of Cyclobutenediones via Double Carbonylation of Alkynes","Journal of Organic Chemistry","2011","76","","543","549","10.1021/jo102104a","","","0.71073","MoKα","","0.079","0.0507","","","0.1327","0.1519","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025993","16.411","0.003","18.877","0.004","8.4637","0.0017","90","","96.75","0.03","90","","2603.8","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ferrole complex","[Tricarbonyl-p-(1,1,1-tricarbonyl-4,5-dialkyl- 2,3-diacetyloxyferracyclopentadiene)Iron]'","","- C26 H16 Fe2 O10 -","- C26 H16 Fe2 O10 -","- C104 H64 Fe8 O40 -","4","1","","Mallesh Beesu; Mariappan Periasamy","Reactive Iron Carbonyl Reagents via Reaction of Metal Alkoxides with Fe(CO)5 or Fe2(CO)9: Synthesis of Cyclobutenediones via Double Carbonylation of Alkynes","Journal of Organic Chemistry","2011","76","","543","549","10.1021/jo102104a","","","0.71073","MoKα","","0.044","0.0366","","","0.0915","0.0959","","","","","","1.038","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025994","10.1709","0.0002","10.2671","0.0002","17.9713","0.0004","90","","90","","90","","1876.66","0.07","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N3 O4 -","- C18 H27 N3 O4 -","- C72 H108 N12 O16 -","4","1","","Valérie Declerck; David J. Aitken","N-Aminoazetidinecarboxylic Acid: Direct Access to a Small-Ring Hydrazino Acid","Journal of Organic Chemistry","2011","76","","708","711","10.1021/jo102108t","","x-ray","0.71073","MoKα","","0.049","0.038","","","0.0956","0.1023","","","","","","1.031","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025995","10.598","0.003","12.828","0.004","14.885","0.005","90","","90","","90","","2023.6","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 Cl2 Cu N3 -","- C17 H31 Cl2 Cu N3 -","- C68 H124 Cl8 Cu4 N12 -","4","1","","Yirong Zhou; Junfang Dong; Fanglin Zhang; Yuefa Gong","Synthesis of C1-Symmetric Chiral Secondary Diamines and Their Applications in the Asymmetric Copper(II)-Catalyzed Henry (Nitroaldol) Reactions","Journal of Organic Chemistry","2011","76","","588","600","10.1021/jo102124d","","","0.71073","MoKα","","0.0439","0.0416","","","0.104","0.1052","","","","","","1.02","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4025996","3.7285","0.0018","30.356","0.015","11.801","0.006","90","","93.334","0.009","90","","1333.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H8 Br2 F8 N4 -","- C34 H8 Br2 F8 N4 -","- C68 H16 Br4 F16 N8 -","2","0.5","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0994","0.0895","","","0.2146","0.219","","","","","","1.227","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025997","10.2372","0.0009","7.3908","0.0007","34.902","0.003","90","","93.567","0.002","90","","2635.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H16 F6 N4 -","- C36 H16 F6 N4 -","- C144 H64 F24 N16 -","4","1","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0855","0.0583","","","0.1379","0.1516","","","","","","1.056","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025998","6.9689","0.0004","10.5536","0.0007","16.8584","0.001","82.549","0.001","86.086","0.001","73.071","0.001","1175.53","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H14 F4 N4 -","- C34 H14 F4 N4 -","- C68 H28 F8 N8 -","2","1","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0835","0.0505","","","0.1299","0.1453","","","","","","1.046","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025999","11.602","0.004","3.726","0.0013","28.062","0.01","90","","96.652","0.006","90","","1204.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H8 F10 N4 -","- C34 H8 F10 N4 -","- C68 H16 F20 N8 -","2","0.5","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.0808","0.0517","","","0.1366","0.1518","","","","","","1.017","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4026000","7.985","0.004","11.766","0.006","16.176","0.008","80.477","0.011","79.834","0.009","74.24","0.008","1428.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H16 F34 N4 O16 -","- C50 H16 F34 N4 O16 -","- C50 H16 F34 N4 O16 -","1","0.5","","Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade","Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes","Journal of Organic Chemistry","2011","76","","609","617","10.1021/jo102141w","","x-ray","0.71073","MoKα","","0.1399","0.0806","","","0.155","0.1899","","","","","","1.033","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026001","11.2936","0.0015","7.2657","0.001","17.145","0.002","90","","96.463","0.007","90","","1397.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang","Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles","Journal of Organic Chemistry","2011","76","","744","747","10.1021/jo1023014","","","0.71073","MoKα","","0.0579","0.0424","","","0.1095","0.1237","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026002","7.4091","0.0017","10.304","0.002","10.827","0.002","65.477","0.003","74.681","0.002","83.961","0.003","725.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang","Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles","Journal of Organic Chemistry","2011","76","","744","747","10.1021/jo1023014","","","0.71073","MoKα","","0.1146","0.0685","","","0.1932","0.2256","","","","","","1.049","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026003","8.3","0.02","17.24","0.04","8.57","0.02","90","","94.73","0.02","90","","1222","5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Ying-Xiu Li; Ke-Gong Ji; Hai-Xi Wang; Shaukat Ali; Yong-Min Liang","Iodine-Induced Regioselective C-C and C-N Bonds Formation of N-Protected Indoles","Journal of Organic Chemistry","2011","76","","744","747","10.1021/jo1023014","","","0.71073","MoKα","","0.0783","0.0465","","","0.1227","0.1442","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026004","40.421","0.012","11.179","0.003","16.906","0.005","90","","95.979","0.006","90","","7598","4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H28 Cl4 O8 -","- C46 H28 Cl4 O8 -","- C368 H224 Cl32 O64 -","8","1","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.1093","0.1071","","","0.316","0.3185","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026005","15.849","0.005","15.849","0.005","26.95","0.009","90","","90","","120","","5863","3","153","2","153","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C45 H44 O7 -","- C45 H43.99 O7 -","- C270 H263.94 O42 -","6","0.333333","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.0839","0.0835","","","0.24","0.2405","","","","","","1.128","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026006","16.6442","0.0016","16.6442","0.0016","27.928","0.003","90","","90","","120","","6700.3","1.2","153","2","153","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C94 H88 Cl12 O12 -","- C94 H88 Cl12 O12 -","- C282 H264 Cl36 O36 -","3","0.166667","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.1113","0.1111","","","0.3909","0.3914","","","","","","1.908","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026007","10.234","0.002","12.588","0.002","14.136","0.003","90","","90","","90","","1821.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O3 -","- C19 H25 N3 O3 -","- C76 H100 N12 O12 -","4","1","","Alessandro Sacchetti; Alessandra Silvani; Giordano Lesma; Tullio Pilati","Phe-Ala-Based Diazaspirocyclic Lactam as Nucleator of Type II' β-Turn","Journal of Organic Chemistry","2011","76","","833","839","10.1021/jo1019927","","","0.71073","MoKα","","0.0576","0.0331","","","0.0707","0.0774","","","","","","0.934","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026008","4.73","0.002","11.618","0.004","8.805","0.004","90","","101.32","0.04","90","","474.4","0.3","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C18 H32 O6 -","2","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.0796","0.0582","","","0.1188","0.1253","","","","","","1.027","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026009","4.751","0.003","11.952","0.005","8.898","0.005","90","","100.92","0.06","90","","496.1","0.5","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C18 H32 O6 -","2","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.1124","0.0729","","","0.1418","0.1565","","","","","","1.015","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026010","8.003","0.0003","11.3185","0.0004","11.6939","0.0005","90","","92.069","0.004","90","","1058.57","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","2","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.034","0.0285","","","0.0697","0.0717","","","","","","1.031","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026011","7.8612","0.001","11.9639","0.0009","16.3656","0.0012","90","","90","","90","","1539.2","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O3 -","- C15 H28 O3 -","- C60 H112 O12 -","4","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.0573","0.0423","","","0.0862","0.0941","","","","","","1.151","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026012","9.4955","0.001","6.7112","0.0007","13.9717","0.0015","90","","100.821","0.001","90","","874.53","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O8 -","- C17 H18 N2 O8 -","- C34 H36 N4 O16 -","2","1","","Xuesen Fan; Yangyang Wang; Yingying Qu; Haiyun Xu; Yan He; Xinying Zhang; Jianji Wang","Tandem Reactions Leading to Bicyclic Pyrimidine Nucleosides and Benzopyran-4-ones","Journal of Organic Chemistry","2011","76","","982","985","10.1021/jo102131y","","","0.71073","MoKα","","0.0332","0.0303","","","0.0793","0.0818","","","","","","1.052","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026013","8.205","0.004","7.938","0.004","19.842","0.009","90","","92.846","0.006","90","","1290.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F5 O2 -","- C14 H9 F5 O2 -","- C56 H36 F20 O8 -","4","1","","Huaiqing Zhao; Ye Wei; Jing Xu; Jian Kan; Weiping Su; Maochun Hong","Pd/PR3-Catalyzed Cross-Coupling of Aromatic Carboxylic Acids with Electron-Deficient Polyfluoroarenes via Combination of Decarboxylation with sp2 C-H Cleavage","Journal of Organic Chemistry","2011","76","","882","893","10.1021/jo102175f","","","0.71073","MoKα","","0.1074","0.0561","","","0.1368","0.1632","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026014","45.766","0.02","6.164","0.003","14.24","0.006","90","","99.34","0.014","90","","3964","3","150","","150.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C184 H200 N8 O24 S8 -","8","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Intramolecular Charge-Transfer-Induced Decomposition Promoted by an Aprotic Polar Solvent for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2011","76","","902","908","10.1021/jo1021822","","","0.71075","MoKα","","","0.0737","","","","0.1892","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026015","20.663","0.003","14.7908","0.0016","6.0694","0.0007","90","","90","","90","","1854.9","0.4","190","2","190","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Joseph J. Topczewski; John G. Kodet; David F. Wiemer","Exploration of Cascade Cyclizations Terminated by Tandem Aromatic Substitution: Total Synthesis of (+)-Schweinfurthin A","Journal of Organic Chemistry","2011","76","","909","919","10.1021/jo1022102","","","0.71073","MoKα","","0.0521","0.0465","","","0.129","0.135","","","","","","1.075","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026016","15.4896","0.0013","6.3827","0.0005","22.4035","0.0015","90","","121.467","0.004","90","","1889.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 O7 P -","- C16 H23 O7 P -","- C64 H92 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1335","0.0678","","","0.1473","0.1708","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026017","13.9539","0.0013","9.861","0.0009","16.9007","0.0016","90","","111.638","0.002","90","","2161.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cl2 O7 P -","- C17 H25 Cl2 O7 P -","- C68 H100 Cl8 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1082","0.0853","","","0.1886","0.2013","","","","","","1.122","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026018","16.4839","0.0011","6.674","0.0004","22.516","0.002","90","","120.625","0.006","90","","2131.6","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H25 O7 P -","- C21 H25 O7 P -","- C84 H100 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0823","0.0447","","","0.0991","0.1084","","","","","","0.88","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026019","17.863","0.003","24.4265","0.0019","16.784","0.002","90","","118.377","0.018","90","","6443.4","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C109 H125 Cl3 O48 P4 -","- C109 H125 Cl3 O48 P4 -","- C218 H250 Cl6 O96 P8 -","2","0.25","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1626","0.0807","","","0.2176","0.2903","","","","","","0.982","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026020","9.7156","0.0004","12.7031","0.0006","20.613","0.001","90","","112.62","0.004","90","","2348.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 O7 P -","- C23 H27 O7 P -","- C92 H108 O28 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0868","0.0595","","","0.1789","0.1919","","","","","","1.06","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026021","14.9743","0.0008","10.9942","0.0006","18.6852","0.001","90","","91.759","0.001","90","","3074.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 O12 P -","- C29 H35 O12 P -","- C116 H140 O48 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0594","0.047","","","0.1235","0.1313","","","","","","1.037","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026022","11.7888","0.0017","14.997","0.002","16.96","0.004","90","","112.545","0.016","90","","2769.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 O4 P -","- C34 H31 O4 P -","- C136 H124 O16 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0508","0.035","","","0.0857","0.0913","","","","","","1.031","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026023","9.9415","0.0002","27.0182","0.0006","14.0924","0.0004","90","","124.847","0.002","90","","3106.47","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 Cl2 O5 P -","- C36 H35 Cl2 O5 P -","- C144 H140 Cl8 O20 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0995","0.0684","","","0.1751","0.1876","","","","","","1.073","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026024","9.315","0.005","10.467","0.006","11.211","0.006","76.848","0.009","76.187","0.01","75.85","0.01","1012.5","1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O3 -","- C26 H22 O3 -","- C52 H44 O6 -","2","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1344","0.0785","","","0.164","0.1891","","","","","","1.043","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026025","9.8726","0.0006","11.7485","0.0007","14.2263","0.0009","94.02","0.001","91.421","0.001","111.263","0.001","1531.73","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 O2 P -","- C40 H35 O2 P -","- C80 H70 O4 P2 -","2","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0518","0.0457","","","0.11","0.1136","","","","","","1.042","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026026","13.2152","0.0016","14.2689","0.0015","17.5","0.003","90","","121.267","0.01","90","","2820.6","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 O4 P -","- C34 H35 O4 P -","- C136 H140 O16 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0831","0.0446","","","0.1052","0.1148","","","","","","0.938","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026027","15.8406","0.0019","14.0154","0.0011","19.0996","0.0019","90","","108.257","0.012","90","","4026.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 O4 P -","- C40 H39 O4 P -","- C160 H156 O16 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.1515","0.0807","","","0.2574","0.289","","","","","","0.918","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026028","9.9536","0.0008","16.2868","0.0013","15.5212","0.001","90","","112.478","0.004","90","","2325","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 O3 P -","- C28 H27 O3 P -","- C112 H108 O12 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.062","0.0528","","","0.1219","0.1269","","","","","","1.12","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026029","23.597","0.009","13.366","0.005","6.132","0.003","90","","90","","90","","1934","1.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H23 O3 P -","- C22 H23 O3 P -","- C88 H92 O12 P4 -","4","0.5","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0711","0.0679","","","0.1397","0.1414","","","","","","1.256","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026030","15.88","0.0015","9.9538","0.0009","15.133","0.0014","90","","107.287","0.001","90","","2284","0.4","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H23 O P -","- C29 H23 O P -","- C116 H92 O4 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0396","0.0381","","","0.0926","0.0938","","","","","","1.076","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026031","16.291","0.006","12.324","0.004","10.331","0.004","90","","90","","90","","2074.2","1.3","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H30 O6 P2 -","- C18 H30 O6 P2 -","- C72 H120 O24 P8 -","4","0.5","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0531","0.0463","","","0.1234","0.1292","","","","","","1.102","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026032","10.3316","0.0007","16.5344","0.0011","17.8866","0.0016","90","","108.912","0.007","90","","2890.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 O5 P -","- C35 H33 O5 P -","- C140 H132 O20 P4 -","4","1","","K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy","Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene","Journal of Organic Chemistry","2011","76","","920","938","10.1021/jo102240u","","","0.71073","MoKα","","0.0615","0.0383","","","0.0906","0.0956","","","","","","0.958","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026033","7.4997","0.0004","7.9251","0.0004","19.9447","0.0011","90","","90","","90","","1185.43","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","","Heinz Langhals; Alexander Hofer; Stefan Bernhard; Jay S. Siegel; Peter Mayer","Axially Chiral Bichromophoric Fluorescent Dyes","Journal of Organic Chemistry","2011","76","","990","992","10.1021/jo102254a","","","0.71073","MoKα","","0.0534","0.0333","","","0.07","0.074","","","","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026034","9.306","0.002","13.832","0.001","14.42","0.003","90","","90","","90","","1856.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","2","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0935","0.0385","","","0.0812","0.0948","","","","","","1.042","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026035","8.553","0.0006","8.7103","0.0007","12.809","0.005","80.9","0.01","89.75","0.01","74.15","0.007","905.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","2","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0735","0.0445","","","0.1122","0.1254","","","","","","1.048","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026036","4.5881","0.0007","14.0647","0.0009","10.4202","0.0006","90","","96.511","0.009","90","","668.08","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0539","0.0384","","","0.0983","0.1052","","","","","","1.024","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026037","4.5474","0.0003","14.3702","0.0013","10.3498","0.0017","90","","102.456","0.009","90","","660.41","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71073","MoKα","","0.0671","0.0447","","","0.1188","0.1294","","","","","","1.067","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026038","10.574","0.004","17.64","0.007","12.926","0.005","90","","91.566","0.008","90","","2410.1","1.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Ren-Jie Song; Yu Liu; Yan-Yun Liu; Jin-Heng Li","Palladium-Catalyzed Conjugate Addition to Electron-Deficient Alkynes with Benzenesulfinic Acid Derived from 1,2-Bis(phenylsulfonyl)ethane: Selective Synthesis of (E)-Vinyl Sulfones","Journal of Organic Chemistry","2011","76","","1001","1004","10.1021/jo102359n","","","0.71073","MoKα","","0.1273","0.1114","","","0.2208","0.2286","","","","","","1.333","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026039","11.4296","0.0006","12.6286","0.0006","15.0391","0.0009","105.039","0.001","90.962","0.001","107.601","0.001","1987.52","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H101 Cl N12 O12 S4 -","- C35 H43 N5 O5 S2 -","- C70 H86 N10 O10 S4 -","2","1","","Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler","N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies","Journal of Organic Chemistry","2011","76","","1005","1012","10.1021/jo101882r","","","0.71073","MoKα","","0.0855","0.0525","","","0.125","0.1341","","","","","","1.14","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026040","23.5509","0.0015","23.5509","0.0015","14.5959","0.0009","90","","90","","90","","8095.5","0.9","153","2","153","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C80 H108 Cl N9 O8 S4 -","- C64 H64 Cl N8 O8 S4 -","- C256 H256 Cl4 N32 O32 S16 -","4","0.25","","Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler","N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies","Journal of Organic Chemistry","2011","76","","1005","1012","10.1021/jo101882r","","","0.71073","MoKα","","0.1379","0.0861","","","0.2084","0.2295","","","","","","1.124","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026041","12.817","0.003","17.885","0.006","13.861","0.005","90","","98.261","0.011","90","","3144.4","1.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 N4 O5 S2 -","- C33 H39 N4 O5 S2 -","- C132 H156 N16 O20 S8 -","4","1","","Sung Kuk Kim; Dustin E. Gross; Dong-Gyu Cho; Vincent M. Lynch; Jonathan L. Sessler","N-Tosylpyrrolidine Calix[4]pyrrole: Synthesis and Ion Binding Studies","Journal of Organic Chemistry","2011","76","","1005","1012","10.1021/jo101882r","","","0.71073","MoKα","","0.2844","0.0922","","","0.1696","0.237","","","","","","1.007","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026042","8.491","0.006","9.669","0.007","20.46","0.014","90","","90","","90","","1680","2","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Shin Ando; Amy L. Grote; Kazunori Koide","Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides","Journal of Organic Chemistry","2011","76","","1155","1158","10.1021/jo102096d","","","0.71073","MoKα","","0.1927","0.0868","","","0.1815","0.2213","","","","","","0.891","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026043","14.326","0.004","15.14","0.004","24.246","0.006","90","","91.927","0.005","90","","5256","2","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C240 H216 N24 O48 -","12","1.5","","Shin Ando; Amy L. Grote; Kazunori Koide","Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides","Journal of Organic Chemistry","2011","76","","1155","1158","10.1021/jo102096d","","","0.71073","MoKα","","0.0994","0.0592","","","0.143","0.1663","","","","","","1.072","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026044","5.958","0.0002","9.2476","0.0003","14.1993","0.0005","91.391","0.002","97.183","0.002","107.512","0.002","738.64","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0297","0.0292","","","0.0833","0.0837","","","","","","1.336","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026045","9.684","0.002","12.086","0.003","13.299","0.003","81.86","0.006","82.501","0.005","74.533","0.004","1478","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 N4 O6 -","- C32 H36 N4 O6 -","- C64 H72 N8 O12 -","2","1","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","","","0.0683","0.0544","","","0.134","0.145","","","","","","1.032","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026046","7.1279","0.0004","8.8202","0.0005","13.1405","0.0008","102.542","0.003","92.659","0.003","95.43","0.003","800.9","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0285","0.0278","","","0.0773","0.0781","","","","","","1.139","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026047","9.6495","0.0016","12.915","0.002","13.39","0.002","102.007","0.003","103.616","0.004","92.047","0.004","1580","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","MoKα","","0.057","0.0402","","","0.1009","0.107","","","","","","1.053","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026048","6.036","0.0002","9.4615","0.0004","14.6013","0.0005","83.438","0.002","84.291","0.002","71.75","0.002","784.95","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","2","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0323","0.0317","","","0.0831","0.084","","","","","","1.029","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026049","5.5847","0.0009","7.8959","0.0012","17.784","0.003","84.99","0.004","85.314","0.004","83.194","0.004","773.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","MoKα","","0.0868","0.0655","","","0.181","0.1951","","","","","","1.127","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026050","8.8898","0.0004","12.061","0.0005","15.2167","0.0007","72.416","0.002","81.661","0.003","75.268","0.003","1500.05","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H17 F N2 O3 -","- C16 H17 F N2 O3 -","- C64 H68 F4 N8 O12 -","4","4","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","1.54178","CuKα","","0.0398","0.0356","","","0.089","0.0928","","","","","","1.034","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026051","13.397","0.005","9.956","0.003","12.273","0.004","90","","110.812","0.008","90","","1530.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F N2 O3 -","- C16 H17 F N2 O3 -","- C64 H68 F4 N8 O12 -","4","1","","Kevin S. Eccles; Rebecca E. Deasy; László Fábián; Anita R. Maguire; Simon E. Lawrence","The Use of Co-crystals for the Determination of Absolute Stereochemistry: An Alternative to Salt Formation","Journal of Organic Chemistry","2011","76","","1159","1162","10.1021/jo102148p","","","0.71073","MoKα","","0.0831","0.0616","","","0.1601","0.1842","","","","","","1.041","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026052","8.0176","0.0003","9.6736","0.0004","10.1393","0.0004","106.763","0.0009","96.6662","0.001","111.509","0.001","678.47","0.05","103.1","","103.1","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 I2 N -","- C15 H9 I2 N -","- C30 H18 I4 N2 -","2","1","","Takenori Mitamura; Akiya Ogawa","Synthesis of 2,4-Diiodoquinolines via the Photochemical Cyclization of o-Alkynylaryl Isocyanides with Iodine","Journal of Organic Chemistry","2011","76","","1163","1166","10.1021/jo1021772","","","0.71075","MoKα","","","0.026","","","","0.0662","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026053","36.7158","0.0007","8.06317","0.00015","20.2857","0.0004","90","","92.587","0.0007","90","","5999.4","0.2","103.1","","103.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 I2 N O -","- C16 H11 I2 N O -","- C256 H176 I32 N16 O16 -","16","2","","Takenori Mitamura; Akiya Ogawa","Synthesis of 2,4-Diiodoquinolines via the Photochemical Cyclization of o-Alkynylaryl Isocyanides with Iodine","Journal of Organic Chemistry","2011","76","","1163","1166","10.1021/jo1021772","","","0.71075","MoKα","","","0.0271","","","","0.071","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026054","10.672","0.003","15.083","0.003","17.585","0.004","86.626","0.004","72.898","0.005","80.806","0.004","2670.5","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H58 B F2 I N2 O8 -","- C59 H58 B F2 I N2 O8 -","- C118 H116 B2 F4 I2 N4 O16 -","2","1","","Thomas Bura; Pascal Retailleau; Gilles Ulrich; Raymond Ziessel","Highly Substituted Bodipy Dyes with Spectroscopic Features Sensitive to the Environment","Journal of Organic Chemistry","2011","76","","1109","1117","10.1021/jo102203f","","","0.71069","MoKα","","0.0802","0.0517","","","0.1296","0.1492","","","","","","1.04","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026055","13.7524","0.0008","6.0384","0.0004","28.938","0.002","90","","96.02","0.005","90","","2389.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","08113","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C104 H136 N8 O16 -","4","2","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","1.54178","CuKα","","0.1411","0.0773","","","0.1797","0.2194","","","","","","1.02","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4026056","6.2724","0.0002","8.1395","0.0003","11.915","0.0005","99.035","0.003","95.226","0.003","96.713","0.003","592.92","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","MBB I-117","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","1","1","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","1.54178","CuKα","","0.0537","0.0465","","","0.1219","0.1274","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4026057","9.983","0.002","10.796","0.002","20.198","0.004","90","","90","","90","","2176.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N O7 -","- C24 H26 N O7 -","- C96 H104 N4 O28 -","4","1","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","0.71073","MoKα","","0.1061","0.0827","","","0.1767","0.1874","","","","","","1.155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026058","5.121","0.002","12.152","0.006","12.407","0.006","93.69","0.02","94.64","0.02","96.93","0.02","761.8","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 F12 N2 O2 -","- C10 H14 F12 N2 O2 -","- C20 H28 F24 N4 O4 -","2","1","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.1191","0.0833","","","0.1896","0.2115","","","","","","1.075","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026059","6.9943","0.0009","16.75","0.002","9.4455","0.0013","90","","111.055","0.003","90","","1032.7","0.2","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F12 N2 O2 -","- C16 H22 F12 N2 O2 -","- C32 H44 F24 N4 O4 -","2","0.5","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.0889","0.0563","","","0.102","0.1123","","","","","","1.127","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026060","13.483","0.002","13.951","0.003","14.8923","0.001","62.113","0.019","73.42","0.02","73.39","0.02","2334.3","0.8","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F12 N2 O2 -","- C22 H22 F12 N2 O2 -","- C88 H88 F48 N8 O8 -","4","2","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.0934","0.0851","","","0.2387","0.2456","","","","","","1.151","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026061","8.7334","0.0012","18.096","0.002","14.6555","0.0019","90","","101.692","0.003","90","","2268.1","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 F12 N2 O2 -","- C18 H28 F12 N2 O2 -","- C72 H112 F48 N8 O8 -","4","1","","Daniela Vuluga; Julien Legros; Benoit Crousse; Alexandra M. Z. Slawin; Christian Laurence; Pierre Nicolet; Danièle Bonnet-Delpon","Influence of the Structure of Polyfluorinated Alcohols on Brønsted Acidity/Hydrogen-Bond Donor Ability and Consequences on the Promoter Effect","Journal of Organic Chemistry","2011","76","","1126","1133","10.1021/jo1023816","","","0.71073","MoKα","","0.0691","0.0552","","","0.1446","0.1571","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026062","16.239","0.012","18.236","0.014","18.655","0.014","90","","90","","90","","5524","7","111","2","111","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.17 H76.45 N11 O14.15 -","- C44.156 H76.428 N11 O14.136 -","- C176.624 H305.712 N44 O56.544 -","4","1","","Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness","Stapling of a 310-Helix with Click Chemistry","Journal of Organic Chemistry","2011","76","","1228","1238","10.1021/jo101670a","","","0.71073","MoKα","","0.3574","0.0667","","","0.1094","0.1929","","","","","","0.911","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026063","36.417","0.012","13.382","0.005","11.873","0.004","90","","102.36","0.004","90","","5652","3","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45.28 H80.47 N11 O13.5 -","- C45.26 H80.44 N11 O13.5 -","- C181.04 H321.76 N44 O54 -","4","1","","Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness","Stapling of a 310-Helix with Click Chemistry","Journal of Organic Chemistry","2011","76","","1228","1238","10.1021/jo101670a","","","0.71073","MoKα","","0.0489","0.0392","","","0.0998","0.1076","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026064","17.9076","0.0016","7.1357","0.0006","11.9889","0.0011","90","","90","","90","","1532","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","15b-Methyl-1H-benzo[e]indolo[1,2-a]pyrrolo[2,1-c][1,4]diazepine- -3,9(2H,15bH)-dione","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Yu Zhou; Jian Li; Xun Ji; Wei Zhou; Xu Zhang; Wangke Qian; Hualiang Jiang; Hong Liu","Silver- and Gold-Mediated Domino Transformation: A Strategy for Synthesizing Benzo[e]indolo[1,2-a]pyrrolo/pyrido[2,1-c][1,4]diazepine-3,9-diones","Journal of Organic Chemistry","2011","76","","1239","1249","10.1021/jo101727r","","","0.71073","MoKα","","0.0387","0.0349","","","0.0841","0.0861","","","","","","1.052","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026065","6.9155","0.0008","8.1679","0.0009","14.2734","0.0016","90","","99.078","0.002","90","","796.14","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","","Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan","Total Synthesis of Lathyranoic Acid A","Journal of Organic Chemistry","2011","76","","1448","1451","10.1021/jo102033h","","","0.71073","MoKα","","0.0555","0.0446","","","0.0987","0.1043","","","","","","1.037","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026066","6.6814","0.0014","15.308","0.003","11.355","0.002","90","","92.456","0.004","90","","1160.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 Br O6 -","- C24 H23 Br O6 -","- C48 H46 Br2 O12 -","2","1","","Li-Fang Yu; Hai-Ning Hu; Fa-Jun Nan","Total Synthesis of Lathyranoic Acid A","Journal of Organic Chemistry","2011","76","","1448","1451","10.1021/jo102033h","","","0.71073","MoKα","","0.1285","0.0668","","","0.1575","0.1803","","","","","","0.827","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026067","4.633","0.005","8.4","0.001","6.577","0.003","90","","100.37","0.06","90","","251.8","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","epoxide or oxirane","","","- C2 H4 O -","- C2 H4 O -","- C8 H16 O4 -","4","1","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.71068","MoKα","","0.0556","0.0261","","","","0.0221","0.0315","","","","","1.307","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026068","21.304","0.004","4.046","0.001","17.685","0.004","90","","107.05","0.03","90","","1457.4","0.6","20","","20","","","","","","","","","3","C 1 2 1","C 2y","5","methyloxycarbonyl epoxide","","","- C6 H8 O5 -","- C6 H8 O5 -","- C48 H64 O40 -","8","2","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.71068","MoKα","","0.0562","0.0341","","","","0.0359","0.0555","","","","","1.246","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026069","7.746","0.0003","8.08","0.0002","11.835","0.0005","86.198","0.001","74.105","0.001","60.673","0.001","619.07","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","acceptor-substituted oxirane","","","- C12 H11 N O7 -","- C12 H11 N O7 -","- C24 H22 N2 O14 -","2","1","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.56","synchrotron","","0.0573","0.0309","","","","0.0422","0.046","","","","","0.9537","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026070","9.586","0.0019","6.082","0.0012","11.994","0.002","90","","110.79","0.03","90","","653.7","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra-cyano epoxide","","","- C6 N4 O -","- C6 N4 O -","- C24 N16 O4 -","4","1","","Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger","Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives","Journal of Organic Chemistry","2011","76","","1305","1318","10.1021/jo102125n","","","0.56","synchrotron","","0.0414","0.0187","","","","0.0287","0.0426","","","","","0.5523","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026071","6.6696","0.0001","7.6973","0.0002","12.7164","0.0003","88.744","0.001","81.722","0.001","65.235","0.001","586.08","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","none","endo-4,5-Benzo-7-cyano-3-oxatricyclo[6.2.2.0^2,7^] dodec-9-ene-6-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0569","0.0464","","","0.155","0.1722","","","","","","0.832","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026072","6.708","0.0001","7.8652","0.0001","12.7175","0.0002","89.491","0.001","81.199","0.001","66.46","","606.881","0.015","296","2","296","2","","","","","","","","4","P -1","-P 1","2","none","exo-4,5-benzo-7-cyano-3-oxatricyclo[6.2.2.0^2,7^]dodec-9-ene-6-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0519","0.0476","","","0.1506","0.1602","","","","","","0.695","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026073","7.0862","0.0001","21.9228","0.0004","8.0627","0.0001","90","","112.148","0.001","90","","1160.11","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","none","4-(cyclohex-2-enyl)-1,2-naphthoquinone","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0658","0.0509","","","0.1364","0.148","","","","","","1.034","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026074","8.0937","0.0001","7.2758","0.0001","19.9413","0.0003","90","","93.851","0.001","90","","1171.65","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","15-cyano-13-oxahexacyclo[6.4.4.0.0^2,7^.0^3,14^.0^6,15^] hexadec-9,11-diene-16-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0431","0.0339","","","0.1094","0.128","","","","","","0.757","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026075","14.9807","0.001","16.1595","0.0011","15.3173","0.001","90","","101.509","0.004","90","","3633.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","1R(S), 2S(R), 11S(R), 12R(S), 16R(S)- 16-benzoyl-9-cyano-3-oxaheptacyclo [10.2.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^17,18^] octadec-13-ene-10-one","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C200 H168 N8 O24 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0685","0.048","","","0.1229","0.1419","","","","","","1.028","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026076","9.6025","0.0002","17.6676","0.0004","20.1254","0.0004","90","","90","","90","","3414.34","0.13","104","2","104","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","none","1R(S), 2S(R), 11S(R), 12R(S), 16R(S)- 16-benzoyl-3-oxaheptacyclo [10.2.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^17,18^] octadec-13-ene-10-one","","- C24 H22 O3 -","- C24 H22 O3 -","- C192 H176 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0511","0.0453","","","0.1237","0.1307","","","","","","1.055","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026077","8.9161","0.0002","10.5248","0.0002","19.5057","0.0004","90","","90","","90","","1830.42","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","9-cyano-15-phenyl-3,14-dioxanonacyclo [10.4.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^13,16^.0^15,18^.0^19,20^] icosa-10-one","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0409","0.0354","","","0.1003","0.1067","","","","","","0.746","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026078","6.4585","0.0001","9.7432","0.0002","14.0722","0.0003","90","","97.442","0.001","90","","878.05","0.03","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","none","15-phenyl-3,14-dioxanonacyclo [10.4.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^13,16^.0^15,18^.0^19,20^] icosa-10-one","","- C24 H22 O3 -","- C24 H22 O3 -","- C48 H44 O6 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0275","0.025","","","0.0657","0.0684","","","","","","0.881","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026079","22.99","0.0005","11.5589","0.0003","6.2791","0.0002","90","","90","","90","","1668.6","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","none","14-phenyl-3,13-dioxanonacyclo [9.4.2.1^2,5^.1^7,10^.0^2,10^.0^4,8^.0^12,15^.0^14,17^.0^18,19^] nonadec-9-one","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0472","0.0438","","","0.1243","0.1283","","","","","","0.956","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026080","9.8089","0.0001","13.5467","0.0002","14.3443","0.0002","90","","104.253","0.001","90","","1847.37","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 8S(R), 9R(S), 10S(R), 13R(S)- 16-cyano-17-oxo-11-phenyl-14-oxaoctacyclo [6.5.4.1^10,13^.0^1,8^.0^2,7^.0^9,11^.0^3,15^.0^6,16^] octadec-9-carboxaldehyde","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0543","0.0448","","","0.128","0.1505","","","","","","0.728","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026081","25.0613","0.0005","9.961","0.0002","14.47","0.0003","90","","105.296","0.001","90","","3484.27","0.12","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","none","1S(R), 8S(R), 9R(S), 10S(R), 13R(S)- 17-oxo-11-phenyl-14-oxaoctacyclo [6.5.4.1^10,13^.0^1,8^.0^2,7^.0^9,11^.0^3,15^.0^6,16^] octadec-9-carboxaldehyde","","- C24 H22 O3 -","- C24 H22 O3 -","- C192 H176 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.049","0.0432","","","0.1177","0.1275","","","","","","1.012","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026082","8.8327","0.0017","36.546","0.008","6.7047","0.0013","90","","96.053","0.004","90","","2152.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 15-cyano-13-dimethoxymethyl-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0819","0.0489","","","0.1271","0.1492","","","","","","0.795","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026083","9.8224","0.0002","14.3488","0.0003","15.5494","0.0003","90","","106.005","0.001","90","","2106.58","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 15-cyano-13-(1,3-dioxolan-2-yl)-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0537","0.0451","","","0.1651","0.1926","","","","","","0.752","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026084","10.1847","0.0002","14.1437","0.0002","14.6416","0.0002","90.026","0.001","110.101","0.001","91.882","0.001","1979.42","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","1S(R), 8S(R), 9R(S), 12R(S), 13R(S)- 13-(1,3-dioxalan-2-yl)-11-phenyl-17-oxaheptacyclo [6.5.4.1^9,12^.0^1,8^.0^2,7^.0^3,15^.0^6,16^] octadec-10-ene-14-one","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0688","0.0546","","","0.2159","0.243","","","","","","1.025","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026085","9.6937","0.0001","10.0059","0.0001","11.7038","0.0001","107.168","0.001","94.725","0.001","95.837","0.001","1071.43","0.019","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","13-ethylene glycol monoacetal of 1S(R), 2R(S), 5R(S), 6R(S), 7S(R)- 6-(1,3-dioxolan-2-yl)-4-phenylheptacyclo [5.5.4.1^2,5^.0^1,7^.0^8,12^.0^9,15^.0^11,14^] heptadec-3-ene-16-one","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0507","0.0445","","","0.128","0.1357","","","","","","1.001","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026086","18.8598","0.0005","8.965","0.0002","13.2521","0.0003","90","","105.375","0.001","90","","2160.45","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 11S(R), 12R(S), 13S(R), 14S(R), 16S(R)- 9-cyano-12-dimethoxymethyl-14-phenyl-3,15-dioxaoctacyclo [11.3.1.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^14,16^.0^18,19^] nonadec-10-one","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C108 H108 N4 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0607","0.047","","","0.1286","0.138","","","","","","1.065","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026087","9.8233","0.0003","9.8589","0.0003","12.1276","0.0003","85.89","0.002","86.645","0.001","70.544","0.001","1103.85","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","photoepoxide","13-Ethylene glycol monoacetal of 1S(R),2S(R),3S(R),5S(R),6R(S),7S(R)-7- (1,3-dioxolan-2-yl)-5-phenyl-4-oxaoctacyclo[6.5.4.1^2,6^.0^1,8^.0^3,5^ .0^9,13^.0^10,16^.0^12,15^]octadecane-14,17-dione","","- C28 H28 O6 -","- C28 H28 O6 -","- C56 H56 O12 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0514","0.0403","","","0.1157","0.1403","","","","","","0.483","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026088","11.275","0.015","8.505","0.011","27.54","0.04","90","","92.525","0.014","90","","2638","6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 5R(S), 14R(S), 15S(R), 16S(R), 17R(S), 26R(S)- 7,24-dicyano-13,18-dioxatridecacyclo [14.10.2.1^5,8^.1^11,14^.1^17,20^.1^23,26^ .0^2,15^.0^5,14^.0^7,12^.0^17,26^.0^19,24^.0^29,30^.0^31,32^] dotriaconta-3,27-diene-6,25-dione","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C128 H104 N8 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.134","0.1237","","","0.4063","0.429","","","","","","2.065","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026089","11.7534","0.0003","13.2715","0.0003","13.3406","0.0003","90","","105.693","0.001","90","","2003.37","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 5R(S), 14R(S), 15S(R), 16S(R), 17R(S), 26R(S)- 13,18-dioxatridecacyclo [14.10.2.1^8,11^.1^20,23^.0^2,15^.0^5,9^.0^5,14^.0^7,12^ .0^10,14^.0^17,21^.0^17,26^.0^19.24^.0^22,26^] triaconta-3,27-diene-6,25-dione","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0698","0.053","","","0.1477","0.165","","","","","","1.012","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026090","8.838","0.01","10.681","0.011","10.897","0.012","90","","90.135","0.012","90","","1028.7","1.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O4 S2 -","- C20 H21 N O4 S2 -","- C40 H42 N2 O8 S4 -","2","1","","Yong Zhang; Yong-Liang Shao; Hai-Sen Xu; Wei Wang","Organocatalytic Direct Asymmetric Vinylogous Michael Reaction of an α,β-Unsaturated γ-Butyrolactam with Enones","Journal of Organic Chemistry","2011","76","","1472","1474","10.1021/jo102223v","","","0.71073","MoKα","","0.0646","0.0477","","","0.1003","0.1093","","","","","","1.018","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026091","7.0842","0.001","9.0032","0.0013","9.5389","0.0006","95.64","0.008","97.798","0.009","110.869","0.013","556.12","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 Br2 O2 -","- C9 H14 Br2 O2 -","- C18 H28 Br4 O4 -","2","1","","Victoria L. Paddock; Robert J. Phipps; Almudena Conde-Angulo; Araceli Blanco-Martin; Carles Giró-Mañas; Laetitia J. Martin; Andrew J. P. White; Alan C. Spivey","(\±)-trans,cis-4-Hydroxy-5,6-di-O-isopropylidenecyclohex-2-ene-1-one: Synthesis and Facile Dimerization to Decahydrodibenzofurans","Journal of Organic Chemistry","2011","76","","1483","1486","10.1021/jo102314w","","","0.71073","MoKα","","0.0727","0.0315","","","0.0602","0.0635","","","","","","0.839","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026092","13.3473","0.001","14.7931","0.0014","17.9988","0.0019","90","","90","","90","","3553.8","0.6","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H24 O8 -","- C18 H24 O8 -","- C144 H192 O64 -","8","2","","Victoria L. Paddock; Robert J. Phipps; Almudena Conde-Angulo; Araceli Blanco-Martin; Carles Giró-Mañas; Laetitia J. Martin; Andrew J. P. White; Alan C. Spivey","(\±)-trans,cis-4-Hydroxy-5,6-di-O-isopropylidenecyclohex-2-ene-1-one: Synthesis and Facile Dimerization to Decahydrodibenzofurans","Journal of Organic Chemistry","2011","76","","1483","1486","10.1021/jo102314w","","","1.54248","CuKα","","0.0501","0.0478","","","0.1204","0.1224","","","","","","1.024","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026093","8.6361","0.0012","9.5345","0.0013","47.638","0.006","90","","90","","90","","3922.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","compound 3b","1-(9H-fluoren-9-ylidene)-1-(2-isopropylphenyl)propan-2-ol","","- C25 H24 O -","- C25 H24 O -","- C200 H192 O8 -","8","2","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure, Conformation, Stereodynamics, and Absolute Configuration of the Atropisomers of Fluorenylidene Derivatives","Journal of Organic Chemistry","2011","76","","1487","1490","10.1021/jo1023427","","","0.71073","MoKα","","0.0503","0.0406","","","0.0858","0.0904","","","","","","1.075","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026094","10.5615","0.0012","8.3727","0.0009","11.8537","0.0012","90","","108.972","0.002","90","","991.26","0.19","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","1","","Kai Ding; Yun-shan Sun; Wei-Sheng Tian","Total Synthesis of (\±)-Spiniferin-1 via a Polyfluoroalkanosulfonyl Fluoride Induced Homoallylic Carbocation Rearrangement Reaction","Journal of Organic Chemistry","2011","76","","1495","1498","10.1021/jo102351k","","","0.71073","MoKα","","0.079","0.0399","","","0.0516","0.0581","","","","","","0.764","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026095","17.0976","0.0017","11.4592","0.0009","21.096","0.002","90","","113.539","0.002","90","","3789.3","0.6","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 N O6 -","- C48 H45 N O6 -","- C192 H180 N4 O24 -","4","1","","Najat S. Khan; Jose Manuel Perez-Aguilar; Tara Kaufmann; P. Aru Hill; Olena Taratula; One-Sun Lee; Patrick J. Carroll; Jeffery G. Saven; Ivan J. Dmochowski","Multiple Hindered Rotators in a Gyroscope-Inspired Tribenzylamine Hemicryptophane","Journal of Organic Chemistry","2011","76","","1418","1424","10.1021/jo102480s","","","0.71073","MoKα","","0.0599","0.0479","","","0.1107","0.1204","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026096","9.382","0.0019","12.916","0.003","13.29","0.003","89.09","0.03","88.04","0.02","86.02","0.03","1605.5","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","pentathiodiphosphoric acid-P,P-bis(pyridiniumbetain)","","- C10 H10 N2 P2 S5 -","- C10 H10 N2 P2 S5 -","- C40 H40 N8 P8 S20 -","4","2","","Jan Bergman; Birgitta Pettersson; Vedran Hasimbegovic; Per H. Svensson","Thionations Using a P4S10-Pyridine Complex in Solvents Such as Acetonitrile and Dimethyl Sulfone","Journal of Organic Chemistry","2011","76","","1546","1553","10.1021/jo101865y","","","0.71073","MoKα","","0.1182","0.0572","","","0.1125","0.1299","","","","","","0.971","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026097","7.9234","0.0004","11.0214","0.0005","9.0941","0.0003","90","","95.514","0.002","90","","790.49","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pyridinium dihydrogenmonothiophosphate","","- C5 H8 N O3 P S -","- C5 H8 N O3 P S -","- C20 H32 N4 O12 P4 S4 -","4","1","","Jan Bergman; Birgitta Pettersson; Vedran Hasimbegovic; Per H. Svensson","Thionations Using a P4S10-Pyridine Complex in Solvents Such as Acetonitrile and Dimethyl Sulfone","Journal of Organic Chemistry","2011","76","","1546","1553","10.1021/jo101865y","","","0.71073","MoKα","","0.0236","0.0221","","","0.06","0.0612","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026098","10.428","0.005","8.062","0.004","29.581","0.008","90","","96.108","0.008","90","","2472.8","1.8","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 Ni O3 S -","- C28 H27 N3 Ni O3 S -","- C112 H108 N12 Ni4 O12 S4 -","4","2","","Daniel J. Smith; Glenn P. A. Yap; James A. Kelley; Joel P. Schneider","Enhanced Stereoselectivity of a Cu(II) Complex Chiral Auxiliary in the Synthesis of Fmoc-l-γ-carboxyglutamic Acid","Journal of Organic Chemistry","2011","76","","1513","1520","10.1021/jo101940k","","","0.71073","MoKα","","0.1123","0.0674","","","0.1302","0.1488","","","","","","1.05","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026099","18.8594","0.0017","10.0842","0.0009","19.9788","0.0018","90","","93.459","0.002","90","","3792.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H13 N O -","- C75 H13 N O -","- C300 H52 N4 O4 -","4","1","","Shih-Ching Chuang; Venkatachalam Rajeshkumar; Chun-An Cheng; Jie-Cheng Deng; Guan-Wu Wang","Annulation of Benzamides with [60]Fullerene through Palladium(II)-Catalyzed C-H Bond Activation","Journal of Organic Chemistry","2011","76","","1599","1604","10.1021/jo102107k","","","0.71073","MoKα","","0.0756","0.0514","","","0.1247","0.1378","","","","","","1.025","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026100","13.21","0.03","9.45","0.02","14.77","0.03","90","","112.64","0.03","90","","1702","6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Sandra Jiménez-Alonso; Judith Guasch; Ana Estévez-Braun; Imma Ratera; Jaume Veciana; Angel G. Ravelo","Electronic and Cytotoxic Properties of 2-Amino-naphtho[2,3-b]furan-4,9-diones","Journal of Organic Chemistry","2011","76","","1634","1643","10.1021/jo102233j","","","0.71073","MoKα","","0.1689","0.0685","","","0.1874","0.2208","","","","","","0.819","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026101","9.7844","0.0002","10.1122","0.0003","17.8873","0.0004","90","","90","","90","","1769.8","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0437","0.0375","","","0.1063","0.1089","","","","","","1.128","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026102","6.8347","0.0002","17.1728","0.0005","17.4137","0.0005","90","","90","","90","","2043.86","0.1","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C96 H108 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.053","0.0408","","","0.1089","0.1145","","","","","","0.994","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026103","12.8706","0.0003","10.3285","0.0002","19.3024","0.0005","90","","94.196","0.002","90","","2559.07","0.1","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","2","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.1089","0.0607","","","0.1411","0.1591","","","","","","0.992","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026104","8.0663","0.0001","10.2743","0.0001","20.2326","0.0002","90","","90","","90","","1676.79","0.03","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0424","0.0396","","","0.1116","0.1138","","","","","","1.051","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026105","10.0543","0.0002","11.701","0.0002","13.951","0.0002","90","","90","","90","","1641.27","0.05","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0471","0.0419","","","0.114","0.1171","","","","","","1.015","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026106","7.6999","0.0001","9.8411","0.0002","20.3544","0.0004","90","","90","","90","","1542.36","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0409","0.0406","","","0.1125","0.1128","","","","","","1.053","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026107","6.2191","0.0008","11.1721","0.0014","17.86","0.002","90","","90","","90","","1240.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Jeannette M. O'Brien; Jason S. Kingsbury","A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes","Journal of Organic Chemistry","2011","76","","1662","1672","10.1021/jo102257k","","","0.71073","MoKα","","0.0485","0.0371","","","0.0769","0.0817","","","","","","1.032","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026108","22.917","0.007","5.6502","0.0018","11.64","0.004","90","","100.65","0.004","90","","1481.3","0.8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 O3 -","- C7 H10 O3 -","- C56 H80 O24 -","8","1","","Jeannette M. O'Brien; Jason S. Kingsbury","A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes","Journal of Organic Chemistry","2011","76","","1662","1672","10.1021/jo102257k","","","0.71073","MoKα","","0.0594","0.0432","","","0.106","0.1172","","","","","","1.058","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026109","17.122","0.003","23.551","0.005","19.674","0.004","90","","92.05","0.03","90","","7928","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C152 H156 F48 N10 O22 P8 -","- C152 H156 F48 N10 O22 P8 -","- C304 H312 F96 N20 O44 P16 -","2","0.5","","Jing Cao; Jia-Bin Guo; Peng-Fei Li; Chuan-Feng Chen","Complexation between Pentiptycene Derived Bis(crown ether)s and CBPQT4+ Salt: Ion-Controlled Switchable Processes and Changeable Role of the CBPQT4+ in Host-Guest Systems","Journal of Organic Chemistry","2011","76","","1644","1652","10.1021/jo102288r","","","0.71073","MoKα","","0.1613","0.1524","","","0.3864","0.3938","","","","","","1.217","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026110","17.42","0.0003","11.1931","0.0002","19.4979","0.0005","90","","113.113","0.001","90","","3496.62","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H41 N O6 Si -","- C39 H41 N O6 Si -","- C156 H164 N4 O24 Si4 -","4","1","","Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle","Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold","Journal of Organic Chemistry","2011","76","","1898","1901","10.1021/jo1022926","","","1.54178","CuKα","","0.0308","0.0305","","","0.081","0.0813","","","","","","1.024","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026111","18.2912","0.0004","10.635","0.0002","15.6481","0.0003","90","","92.608","0.001","90","","3040.82","0.11","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H35 N O6 Si -","- C33 H35 N O6 Si -","- C132 H140 N4 O24 Si4 -","4","1","","Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle","Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold","Journal of Organic Chemistry","2011","76","","1898","1901","10.1021/jo1022926","","","1.54178","CuKα","","0.0246","0.0246","","","0.0653","0.0654","","","","","","1.052","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026112","14.803","0.0005","8.9842","0.0003","13.004","0.0004","90","","99.476","0.003","90","","1705.84","0.1","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F3 N O3 S Se -","- C15 H16 F3 N O3 S Se -","- C60 H64 F12 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","1.54184","CuKα","","0.0481","0.0436","","","0.1218","0.1244","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026113","6.5091","0.0016","33.521","0.008","8.747","0.002","90","","93.464","0.004","90","","1905","0.8","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O3 S Se -","- C18 H25 N O3 S Se -","- C72 H100 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.0495","0.0407","","","0.0978","0.1023","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026114","10.369","0.003","11.734","0.003","13.532","0.004","90","","105.156","0.004","90","","1589.2","0.8","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F3 N O3 S Se -","- C14 H14 F3 N O3 S Se -","- C56 H56 F12 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.0257","0.0238","","","0.0676","0.0686","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026115","17.416","0.0003","9.5355","0.0002","11.4018","0.0002","90","","90.467","0.002","90","","1893.44","0.06","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O3 S Se -","- C18 H25 N O3 S Se -","- C72 H100 N4 O12 S4 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","1.54184","CuKα","","0.0551","0.04","","","0.092","0.0964","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026116","7.449","0.003","13.527","0.004","19.221","0.006","90","","99.285","0.005","90","","1911.4","1.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O7 Se -","- C18 H14 N4 O7 Se -","- C72 H56 N16 O28 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.1128","0.0585","","","0.107","0.119","","","","","","0.866","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026117","8.2176","0.0005","9.735","0.0006","12.3328","0.0008","82.277","0.001","83.488","0.001","72.756","0.001","930.88","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N4 O7 Se -","- C18 H14 N4 O7 Se -","- C36 H28 N8 O14 Se2 -","2","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","0.71073","MoKα","","0.0268","0.0253","","","0.0631","0.0637","","","","","","1.03","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026118","11.6919","0.0002","8.2865","0.0002","20.4393","0.0004","90","","97.802","0.002","90","","1961.93","0.07","130","2","130","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C19 H16 N4 O7 Se -","- C19 H16 N4 O7 Se -","- C76 H64 N16 O28 Se4 -","4","1","","S. Fern Lim; Benjamin L. Harris; Paul Blanc; Jonathan M. White","Orbital Interactions in Selenomethyl-Substituted Pyridinium Ions and Carbenium Ions with Higher Electron Demand","Journal of Organic Chemistry","2011","76","","1673","1682","10.1021/jo102307v","","","1.54184","CuKα","","0.0311","0.0297","","","0.0813","0.0825","","","","","","1.008","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026119","16.8059","0.0004","12.0718","0.0002","21.4038","0.0005","90","","127.012","0.003","90","","3467.41","0.19","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl4 O9 S3 -","- C29 H34 Cl4 O9 S3 -","- C116 H136 Cl16 O36 S12 -","4","1","","Julien Sanseverino; Jean-Claude Chambron; Emmanuel Aubert; Enrique Espinosa","Sulfur-Incorporating Cyclotriveratrylene Analogues: The Synthesis of Cyclotrithioguaiacylene","Journal of Organic Chemistry","2011","76","","1914","1917","10.1021/jo102324u","","","1.5418","CuKα","","0.0546","0.0426","","","0.1102","0.1147","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026120","16.081","0.004","25.463","0.007","17.392","0.003","90","","105.22","0.02","90","","6872","3","150","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H37 Cl1.5 N O4 -","- C73 H74 Cl3 N2 O8 -","- C292 H296 Cl12 N8 O32 -","4","1","","Anilkumar Bandela; Jugun Prakash Chinta; Vijaya Kumar Hinge; Amol G. Dikundwar; Tayur N. Guru Row; Chebrolu P. Rao","Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies","Journal of Organic Chemistry","2011","76","","1742","1750","10.1021/jo1023409","","","0.71073","MoKα","","0.3142","0.1495","","","0.3077","0.3992","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026121","15.5468","0.0006","20.2073","0.0009","24.3136","0.0012","102.014","0.004","90.127","0.004","96.242","0.003","7424.3","0.6","293","1","293","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C177 H172 N4 O19 -","- C177 H172 N4 O19 -","- C354 H344 N8 O38 -","2","1","","Anilkumar Bandela; Jugun Prakash Chinta; Vijaya Kumar Hinge; Amol G. Dikundwar; Tayur N. Guru Row; Chebrolu P. Rao","Recognition of Polycyclic Aromatic Hydrocarbons and Their Derivatives by the 1,3-Dinaphthalimide Conjugate of Calix[4]arene: Emission, Absorption, Crystal Structures, and Computational Studies","Journal of Organic Chemistry","2011","76","","1742","1750","10.1021/jo1023409","","x-ray","0.71073","MoKα","","0.352","0.1118","","","0.2667","0.325","","","","","","0.877","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026122","12.0065","0.0012","17.58","0.0018","20.214","0.002","90","","90","","90","","4266.7","0.7","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H24 Br2 O6 -","- C70 H24 Br2 O6 -","- C280 H96 Br8 O24 -","4","1","","Jianxin Zhang; Nana Xin; Liangbing Gan","Bromination-Mediated Regioselective Preparation of Cyclopentadienyl-Type [60]Fullerene Derivatives with Alkoxy, Peroxy, and Bromo or Hydro Addends","Journal of Organic Chemistry","2011","76","","1735","1741","10.1021/jo102377r","","","0.71075","MoKα","","0.0329","0.0286","","","0.0602","0.0612","","","","","","0.997","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026123","10.272","","34.671","","8.925","","90","","96.19","","90","","3160.02","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 F12 N2 O2 P2 -","- C26 H40 F12 N2 O2 P2 -","- C104 H160 F48 N8 O8 P8 -","4","1","","Manjula B. Koralegedara; Hong W. Aw; Dennis H. Burns","Initial Structural Studies of Charged Receptors That Bind to Inorganic Phosphate Anion and to an Anionic Phospholipid Found in Bacterial Membranes","Journal of Organic Chemistry","2011","76","","1930","1933","10.1021/jo102383j","","","0.71073","MoKα","","0.2854","0.0705","","","0.1391","0.2195","","","","","","0.941","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026124","30.78","0.003","12.9394","0.0013","23.09","0.004","90","","130.712","0.005","90","","6970.7","1.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H42 Cl3 N2 O10 P2 S -","- C26 H43 Cl3 N2 O10 P2 -","- C208 H344 Cl24 N16 O80 P16 -","8","1","","Manjula B. Koralegedara; Hong W. Aw; Dennis H. Burns","Initial Structural Studies of Charged Receptors That Bind to Inorganic Phosphate Anion and to an Anionic Phospholipid Found in Bacterial Membranes","Journal of Organic Chemistry","2011","76","","1930","1933","10.1021/jo102383j","","","0.71073","MoKα","","0.1557","0.0828","","","0.1878","0.2482","","","","","","1.128","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026125","7.0755","0.0009","27.67","0.003","10.6387","0.0011","90","","101.765","0.011","90","","2039.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Lehao Huang; Tianmin Niu; Jun Wu; Yuhong Zhang","Copper-Catalyzed Oxidative Cross-Coupling of N,N-Dimethylanilines with Heteroarenes under Molecular Oxygen","Journal of Organic Chemistry","2011","76","","1759","1766","10.1021/jo1023975","","","0.71073","MoKα","","0.1184","0.0549","","","0.164","0.2156","","","","","","0.659","","","","has coordinates","276386","2022-06-29","09:09:37",""
"4026126","14.6662","0.0004","10.1239","0.0003","19.1996","0.0005","90","","92.428","0.002","90","","2848.18","0.14","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-6-(2-Methoxynaphthalen-1-yl)-4,7-dimethyl-2-(toluene-4- sulfonyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid isopropyl ester","","- C32 H33 N O5 S -","- C32 H33 N O5 S -","- C128 H132 N4 O20 S4 -","4","1","","Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka","Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition","Journal of Organic Chemistry","2011","76","","1926","1929","10.1021/jo1024255","","","1.54187","CuKα","","0.0754","0.0537","","","0.1246","0.1443","","","","","","1.09","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026127","13.2578","0.0002","11.0728","0.0002","14.014","0.0003","90","","105.019","0.001","90","","1986.99","0.06","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S,R)-(-)-4,6-Bis(2-methoxynaphthalen-1-yl)-7-methyl-2- (toluene-4-sulfonyl)-2,3-dihydro-1H-isoindole-5- carboxylic acid isopropyl ester","","- C43 H40 Cl3 N O6 S -","- C43 H40 Cl3 N O6 S -","- C86 H80 Cl6 N2 O12 S2 -","2","1","","Shuichiro Ogaki; Yu Shibata; Keiichi Noguchi; Ken Tanaka","Enantioselective Synthesis of Axially Chiral Hydroxy Carboxylic Acid Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition","Journal of Organic Chemistry","2011","76","","1926","1929","10.1021/jo1024255","","","1.54187","CuKα","","0.0605","0.0397","","","0.0889","0.1123","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026128","12.513","0.0003","12.6052","0.0003","19.5281","0.0005","90","","90","","90","","3080.15","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Shu-Chun Zhao; Xing-Zhong Shu; Ke-Gong Ji; An-Xi Zhou; Ting He; Xue-Yuan Liu; Yong-Min Liang","Pd(0)-Catalyzed [1,5]-Sigmatropic Hydrogen Shift of Propargylic Esters toward Substituent Naphthylamines","Journal of Organic Chemistry","2011","76","","1941","1944","10.1021/jo1024267","","","0.71073","MoKα","","0.0673","0.039","","","0.0892","0.1031","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026129","7.0876","0.0004","16.0787","0.0009","21.6431","0.0012","90","","90","","90","","2466.4","0.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 B2 O3 P2 -","- C22 H36 B2 O3 P2 -","- C88 H144 B8 O12 P8 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.1212","0.0662","","","0.1563","0.2329","","","","","","1.206","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026130","10.0669","0.0014","25.664","0.004","10.9208","0.0013","90","","111.079","0.006","90","","2632.7","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 B2 O4 P2 -","- C24 H40 B2 O4 P2 -","- C96 H160 B8 O16 P8 -","4","2","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0899","0.0519","","","0.1094","0.1276","","","","","","0.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026131","9.2921","0.0016","14.879","0.002","18.8246","0.0018","90","","90","","90","","2602.6","0.6","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pd -","- C24 H34 Cl2 O4 P2 Pd -","- C96 H136 Cl8 O16 P8 Pd4 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0308","0.0278","","","0.0826","0.0905","","","","","","0.748","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026132","10.9964","0.0004","13.7798","0.0005","22.3755","0.0009","90","","90","","90","","3390.5","0.2","108","2","108","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 Cl5 O5 P2 Pd -","- C27 H39 Cl5 O5 P2 Pd -","- C108 H156 Cl20 O20 P8 Pd4 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0363","0.0282","","","0.055","0.0842","","","","","","1.226","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026133","6.9899","0.0002","22.4792","0.0007","6.8185","0.0003","90","","90","","90","","1071.37","0.07","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C40 H60 N4 O8 S4 -","4","1","","Donn G. Wishka; Marion Bédard; Katherine E. Brighty; Richard A. Buzon; Kathleen A. Farley; Michael W. Fichtner; Goss S. Kauffman; Jaap Kooistra; Jason G. Lewis; Hardwin O'Dowd; Ivan J. Samardjiev; Brian Samas; Geeta Yalamanchi; Mark C. Noe","An Asymmetric Synthesis of (2S,5S)-5-Substituted Azepane-2-Carboxylate Derivatives","Journal of Organic Chemistry","2011","76","","1937","1940","10.1021/jo102475s","","","1.54178","CuKα","","0.0789","0.0778","","","0.1612","0.1631","","","","","","1.175","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026134","12.2358","0.0013","22.538","0.002","18.847","0.0019","90","","95.309","0.006","90","","5175.1","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H38 Cl3 N9 O7 -","- C61 H38 Cl3 N9 O7 -","- C244 H152 Cl12 N36 O28 -","4","1","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.7107","MoKα","","0.157","0.1143","","","0.3147","0.3691","","","","","","1.158","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026135","18.845","0.005","13.192","0.003","19.392","0.005","90","","117.468","0.003","90","","4277.4","1.9","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C69 H60 N12 O6 -","- C69 H60 N12 O6 -","- C138 H120 N24 O12 -","2","0.5","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.71073","MoKα","","0.0817","0.0644","","","0.1842","0.194","","","","","","1.058","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026136","17.586","0.004","18.328","0.004","19.381","0.004","90","","91.08","0.03","90","","6246","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H63 N9 O10 -","- C72 H63 N9 O10 -","- C288 H252 N36 O40 -","4","1","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","0.71073","MoKα","","0.1039","0.09","","","0.186","0.1941","","","","","","1.176","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026137","23.832","0.003","23.832","0.003","21.741","0.004","90","","90","","120","","10694","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C75 H69 N15 O6 -","- C75 H69 N15 O6 -","- C450 H414 N90 O36 -","6","0.333333","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","1.54178","CuKα","","0.2743","0.1432","","","0.3333","0.3672","","","","","","1.498","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026138","5.4777","0.0004","12.6442","0.001","15.1084","0.0013","83.967","0.005","86.968","0.006","86.5","0.005","1037.55","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B N3 O4 -","- C24 H24 B N3 O4 -","- C48 H48 B2 N6 O8 -","2","1","","Ana López-Pérez; Marwin Segler; Javier Adrio; Juan C. Carretero","Silver-Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Boryl Acrylates","Journal of Organic Chemistry","2011","76","","1945","1948","10.1021/jo1024915","","","1.54178","CuKα","","0.1112","0.0953","","","0.278","0.2907","","","","","","1.066","","","","has coordinates,has Fobs","178440","2020-10-21","18:00:00",""
"4026139","6.028","0.005","16.365","0.005","18.57","0.005","90","0.005","90","0.005","90","0.005","1831.9","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17.5 N0 O3.5 S1.75 -","- C20 H23 N O2 S -","- C80 H92 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.0718","0.0453","","","0.1094","0.1237","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026140","6.037","0.005","16.367","0.005","18.598","0.005","90","0.005","90","0.005","90","0.005","1837.6","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17.5 N0 O3.5 S1.75 -","- C20 H24 N O2 S -","- C80 H96 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.0757","0.0497","","","0.1256","0.142","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026141","8.0114","0.0012","12.5034","0.0014","18.835","0.002","90","","90","","90","","1886.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.3301","0.0926","","","0.1405","0.207","","","","","","0.933","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4026142","7.186","0.0007","14.0335","0.0015","13.235","0.0014","90","","94.498","0.002","90","","1330.6","0.2","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 -","- C36 H32 N4 -","- C72 H64 N8 -","2","1","","Xiao Liu; Yudao Ma; Wenzeng Duan; Fuyan He; Lei Zhao; Chun Song","Synthesis of Cyclophanes with Planar and Helical Chirality","Journal of Organic Chemistry","2011","76","","1953","1956","10.1021/jo102538y","","","0.71073","MoKα","","0.0704","0.0491","","","0.0964","0.1093","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026143","5.1389","0.0003","54.219","0.004","18.2513","0.0013","90","","97.964","0.004","90","","5036.2","0.6","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C256 H192 O64 -","16","4","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.7107","MoKα","","0.1141","0.0721","","","0.1488","0.1681","","","","","","1.084","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026144","9.43","0.0008","9.63","0.001","11.129","0.0012","90.248","0.008","106.933","0.01","112.963","0.012","882.19","0.19","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C42 H40 O10 -","2","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.076","0.0611","","","0.1354","0.141","","","","","","1.038","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026145","12.4406","0.0013","12.7749","0.0014","15.6575","0.0016","94.061","0.002","95.186","0.002","102.32","0.002","2410.7","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","2","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71073","MoKα","","0.0746","0.0548","","","0.1499","0.1614","","","","","","1.04","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026146","7.0764","0.0008","19.5907","0.0003","8.9411","0.001","90","","94.353","0.002","90","","1235.9","0.2","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.7107","MoKα","","0.0463","0.0399","","","0.0964","0.1009","","","","","","1.092","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026147","24.27","0.002","7.822","0.0007","17.052","0.0016","90","","105.789","0.008","90","","3115","0.5","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C144 H128 O48 -","8","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0684","0.0527","","","0.1331","0.1434","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026148","21.998","0.002","7.5957","0.0008","25.811","0.003","90","","112.804","0.003","90","","3975.7","0.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C168 H144 Br16 O40 -","8","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0328","0.024","","","0.0566","0.0588","","","","","","0.971","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026149","11.778","0.0016","13.054","0.002","14.844","0.003","97.661","0.004","113.083","0.003","103.412","0.008","1977.1","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C84 H72 Br8 O20 -","4","2","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0638","0.0408","","","0.1005","0.1109","","","","","","0.989","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026150","9.843","0.001","23.98","0.03","10.686","0.0012","90","","94.28","0.007","90","","2515","3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br2 O5 -","- C21 H18 Br2 O5 -","- C84 H72 Br8 O20 -","4","1","","Ying Cheng; Jiang-Hua Peng; Yong-Jia Li; Xun-Yu Shi; Ming-Sheng Tang; Tian-Yu Tan","N-Heterocyclic Carbene Catalyzed Reaction of Phthalaldehydes: Controllable Stereoselective Synthesis of Polyhydroxylated Spiro- and Fused Indenones Dictated by the Structure of NHC Catalysts","Journal of Organic Chemistry","2011","76","","1844","1851","10.1021/jo102582a","","","0.71075","MoKα","","0.0455","0.0361","","","0.0793","0.0827","","","","","","1.003","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026151","7.0684","0.0002","8.4206","0.0002","14.9569","0.0005","90","","90","","90","","890.24","0.04","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 F N O6 -","- C6 H12 F N O6 -","- C24 H48 F4 N4 O24 -","4","1","","Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod","Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates","Journal of Organic Chemistry","2011","76","","1992","2000","10.1021/jo101914s","","","0.71073","MoKα","","0.0283","0.0256","","0.0728","0.072","0.0728","","","","","","0.9887","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026152","7.8722","0.0003","9.2049","0.0003","41.2201","0.0015","90","","90","","90","","2986.92","0.19","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N Na2 O11 -","- C28 H41 N Na2 O11 -","- C112 H164 N4 Na8 O44 -","4","1","","Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod","Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates","Journal of Organic Chemistry","2011","76","","1992","2000","10.1021/jo101914s","","","0.71073","MoKα","","0.0588","0.0368","","0.0921","0.0868","0.0921","","","","","","0.8203","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026153","12.7109","0.0007","17.8216","0.001","19.5965","0.0011","90","","90","","90","","4439.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(R)-5-(N-tert-Butoxycarbonyl)-[(S)-(2-methoxyphenylamino)- (phenyl)methyl]-1H-pirrol-2(5H)one","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C184 H208 N16 O32 -","8","1","","Claudio Curti; Lucia Battistini; Beatrice Ranieri; Giorgio Pelosi; Gloria Rassu; Giovanni Casiraghi; Franca Zanardi","anti-Selective, Catalytic Asymmetric Vinylogous Mukaiyama Mannich Reactions of Pyrrole-Based Silyl Dienolates with N-Aryl Aldimines","Journal of Organic Chemistry","2011","76","","2248","2252","10.1021/jo1021234","","","0.71073","MoKα","","0.1137","0.051","","","0.1518","0.1872","","","","","","0.822","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026154","7.74851","0.00016","26.2071","0.0006","8.18444","0.00017","90","","93.43","0.0014","90","","1659","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","2","","Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase","Synthesis of (-)-Homogalanthamine from Naltrexone","Journal of Organic Chemistry","2011","76","","2257","2260","10.1021/jo1022487","","","1.54187","CuKα","","","0.0319","","","","0.0858","","","","","","1.027","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026155","8.94134","0.00017","9.9466","0.0002","16.0925","0.0004","90","","90","","90","","1431.2","0.05","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase","Synthesis of (-)-Homogalanthamine from Naltrexone","Journal of Organic Chemistry","2011","76","","2257","2260","10.1021/jo1022487","","","1.54187","CuKα","","","0.0321","","","","0.0942","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026156","10.969","0.007","8.042","0.008","19.434","0.012","90","","95.39","0.01","90","","1707","2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H48 O9 -","- C36 H48 O9 -","- C72 H96 O18 -","2","1","","Gang Ni; Zhu-Fang Shen; Yang Lu; Ying-Hong Wang; Yan-Bo Tang; Ruo-Yun Chen; Zhi-You Hao; De-Quan Yu","Glucokinase-Activating Sesquinlignans from the Rhizomes of Acorus tatarinowii Schott","Journal of Organic Chemistry","2011","76","","2056","2061","10.1021/jo1022712","","","1.54178","CuKα","","0.0565","0.0556","","","0.1565","0.1588","","","","","","1.048","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026157","8.792","0.001","15.306","0.001","24.545","0.002","90","","96.91","0.04","90","","3279","0.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 O9 -","- C35 H46 O9 -","- C140 H184 O36 -","4","1","","Gang Ni; Zhu-Fang Shen; Yang Lu; Ying-Hong Wang; Yan-Bo Tang; Ruo-Yun Chen; Zhi-You Hao; De-Quan Yu","Glucokinase-Activating Sesquinlignans from the Rhizomes of Acorus tatarinowii Schott","Journal of Organic Chemistry","2011","76","","2056","2061","10.1021/jo1022712","","","1.54178","CuKα","","0.122","0.0938","","","0.1354","0.149","","","","","","1.026","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026158","9.991","0.0008","15.5697","0.0013","22.565","0.002","90","","90","","90","","3510.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O4 -","- C17 H18 F3 N O4 -","- C136 H144 F24 N8 O32 -","8","2","","Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu","Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center","Journal of Organic Chemistry","2011","76","","2282","2285","10.1021/jo1024333","","","0.71073","MoKα","","0.069","0.051","","","0.1268","0.136","","","","","","0.982","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026159","10.7183","0.0014","8.8432","0.0012","12.4477","0.0017","90","","103.81","0.002","90","","1145.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H21 F3 N2 O2 S -","- C25 H21 F3 N2 O2 S -","- C50 H42 F6 N4 O4 S2 -","2","1","","Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu","Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center","Journal of Organic Chemistry","2011","76","","2282","2285","10.1021/jo1024333","","","0.71073","MoKα","","0.066","0.0426","","","0.069","0.0744","","","","","","0.811","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026160","9.1596","0.0017","25.648","0.005","10.427","0.002","90","","111.923","0.003","90","","2272.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O7 S2 -","- C22 H23 N O7 S2 -","- C88 H92 N4 O28 S8 -","4","1","","Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb","Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems","Journal of Organic Chemistry","2011","76","","2094","2101","10.1021/jo1024392","","","0.71073","MoKα","","0.0608","0.046","","","0.1211","0.1318","","","","","","1.022","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026161","11.0349","0.0017","10.4165","0.0016","16.485","0.003","90","","104.065","0.002","90","","1838.1","0.5","108","2","108","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cl3 N2 O3 S -","- C15 H19 Cl3 N2 O3 S -","- C60 H76 Cl12 N8 O12 S4 -","4","1","","Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb","Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems","Journal of Organic Chemistry","2011","76","","2094","2101","10.1021/jo1024392","","","0.71073","MoKα","","0.0568","0.0529","","","0.1328","0.1354","","","","","","1.114","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026162","15.327","0.005","7.905","0.003","19.504","0.007","90","","96.912","0.01","90","","2345.9","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O7 S2 -","- C23 H27 N O7 S2 -","- C92 H108 N4 O28 S8 -","4","1","","Praveen Kumar; Puhui Li; Ilia Korboukh; Tony L. Wang; Hemant Yennawar; Steven M. Weinreb","Further Studies of Intramolecular Michael Reactions of Nitrosoalkenes for Construction of Functionalized Bridged Ring Systems","Journal of Organic Chemistry","2011","76","","2094","2101","10.1021/jo1024392","","","0.71073","MoKα","","0.1509","0.0804","","","0.1587","0.1868","","","","","","1.069","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026163","4.1459","0.0005","14.1723","0.0016","15.567","0.0017","90","","91.429","0.003","90","","914.38","0.18","173","","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H2 Br Cl I2 -","- C6 H2 Br Cl I2 -","- C24 H8 Br4 Cl4 I8 -","4","2","","Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto","A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond","Journal of Organic Chemistry","2011","76","","2123","2131","10.1021/jo1024656","","","0.71075","MoKα","","0.0499","0.0425","","","0.0895","0.0928","","","","","","1.032","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026164","16.1669","0.0009","9.9131","0.0005","11.3102","0.0006","90","","90","","90","","1812.62","0.17","173","","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C20 H20 B Cl N4 O2 -","- C20 H20 B Cl N4 O2 -","- C80 H80 B4 Cl4 N16 O8 -","4","0.5","","Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto","A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond","Journal of Organic Chemistry","2011","76","","2123","2131","10.1021/jo1024656","","","0.71075","MoKα","","0.0271","0.0261","","","0.0663","0.0668","","","","","","1.059","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026165","11.4097","0.0004","13.4664","0.0004","23.539","0.0007","90","","98.669","0.002","90","","3575.4","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H101 B2 Cl3 N2 O8 -","- C77 H101 B2 Cl3 N2 O8 -","- C154 H202 B4 Cl6 N4 O16 -","2","1","","Yvonne Loewer; Christine Weiss; Akkattu T. Biju; Roland Fröhlich; Frank Glorius","Synthesis and Application of a Chiral Diborate","Journal of Organic Chemistry","2011","76","","2324","2327","10.1021/jo102559s","","","1.54178","CuKα","","0.046","0.043","","","0.1076","0.1107","","","","","","1.013","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026166","20.749","0.004","20.042","0.004","11.915","0.002","90","","95.042","0.002","90","","4935.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H48 F6 O8.5 S6 -","- C42.5 H47.5 F6 O8.5 S6 -","- C170 H190 F24 O34 S24 -","4","1","","Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori","Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes","Journal of Organic Chemistry","2011","76","","2168","2179","10.1021/jo102566e","","","0.71073","MoKα","","0.0984","0.069","","","0.1682","0.1902","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026167","10.3827","0.0017","13.578","0.002","18.34","0.003","86.422","0.002","87.024","0.002","74.012","0.002","2479","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 F3 N O5 S5 -","- C48 H54 F3 N O5 S5 -","- C96 H108 F6 N2 O10 S10 -","2","1","","Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori","Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes","Journal of Organic Chemistry","2011","76","","2168","2179","10.1021/jo102566e","","","0.71073","MoKα","","0.0877","0.0601","","","0.1452","0.1685","","","","","","1.027","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026168","14.71","0.003","23.366","0.003","18.063","0.004","90","","106.207","0.002","90","","5962","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H76 N2 O6 S6 -","- C60 H76 N2 O6 S6 -","- C240 H304 N8 O24 S24 -","4","0.5","","Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori","Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes","Journal of Organic Chemistry","2011","76","","2168","2179","10.1021/jo102566e","","","0.71073","MoKα","","0.0483","0.0414","","","0.1125","0.1196","","","","","","1.073","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026169","8.9096","0.0007","7.9765","0.0005","20.3426","0.0015","90","","102.602","0.005","90","","1410.87","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu; Manas Das","Click-Reagent Version of Sonogashira Coupling Protocol to Conjugated Fluorescent Alkynes with No or Reduced Homocoupling","Journal of Organic Chemistry","2011","76","","2332","2337","10.1021/jo200005n","","","0.71073","MoKα","","0.1136","0.0535","","","0.1325","0.1575","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026170","8.5572","0.0004","7.3756","0.0004","29.6144","0.0014","90","","99.56","0.003","90","","1843.14","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu; Manas Das","Click-Reagent Version of Sonogashira Coupling Protocol to Conjugated Fluorescent Alkynes with No or Reduced Homocoupling","Journal of Organic Chemistry","2011","76","","2332","2337","10.1021/jo200005n","","","0.71073","MoKα","","0.1205","0.0432","","","0.0735","0.0791","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026171","17.3324","0.0008","17.3324","0.0008","10.8249","0.0005","90","","90","","90","","3251.9","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C18 H25 N O S -","- C18 H25 N O S -","- C144 H200 N8 O8 S8 -","8","1","","Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin","Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry","Journal of Organic Chemistry","2011","76","","2360","2366","10.1021/jo2000868","","","0.71073","MoKα","","0.0585","0.0406","","","0.0984","0.1214","","","","","","1.177","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026172","9.6969","0.0006","8.9917","0.0005","19.0384","0.0012","90","","93.568","0.002","90","","1656.77","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 N O S -","- C19 H25 N O S -","- C76 H100 N4 O4 S4 -","4","2","","Iain Coldham; Luke Watson; Harry Adams; Nathaniel G. Martin","Synthesis of the Core Ring System of the Yuzurimine-Type Daphniphyllum Alkaloids by Cascade Condensation, Cyclization, Cycloaddition Chemistry","Journal of Organic Chemistry","2011","76","","2360","2366","10.1021/jo2000868","","","0.71073","MoKα","","0.0782","0.0675","","","0.1769","0.182","","","","","","1.146","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026173","11.9102","0.0005","19.4178","0.0009","14.6074","0.0007","90","","91.028","0.002","90","","3377.7","0.3","223","2","223","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C22 H17 Br -","- C22 H17 Br -","- C176 H136 Br8 -","8","2","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0534","0.0462","","","0.1215","0.127","","","","","","1.033","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026174","8.6678","0.0016","6.1892","0.0004","21.92","0.002","90","","100.563","0.011","90","","1156","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 S -","- C13 H14 N2 S -","- C52 H56 N8 S4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0841","0.0642","","","0.1639","0.1857","","","","","","1.005","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026175","5.5133","0.0002","9.0665","0.0003","25.619","0.0009","90","","90","","90","","1280.6","0.08","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","0.71073","MoKα","","0.0622","0.0497","","","0.1469","0.1773","","","","","","1.269","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026176","5.9552","0.0004","18.8208","0.0012","15.866","0.0013","90","","97.527","0.003","90","","1763","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.128","0.0912","","","0.2324","0.2714","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026177","10.3577","0.0006","11.0416","0.0006","19.1457","0.0011","90","","90","","90","","2189.6","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0754","0.0466","","","0.087","0.1016","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026178","8.8802","0.0002","9.8243","0.0002","10.8484","0.0002","96.224","0.002","96.788","0.001","109.107","0.001","877.04","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 F N2 O -","- C20 H21 F N2 O -","- C40 H42 F2 N4 O2 -","2","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0464","0.0422","","","0.1094","0.113","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026179","7.7073","0.0015","12.316","0.003","25.27","0.005","90","","98.4","0.03","90","","2373","0.9","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O4 S -","- C28 H27 N O4 S -","- C112 H108 N4 O16 S4 -","4","1","","Junjun Tian; Rong Zhou; Haiyun Sun; Haibin Song; Zhengjie He","Phosphine-Catalyzed [4 + 1] Annulation between α,β-Unsaturated Imines and Allylic Carbonates: Synthesis of 2-Pyrrolines","Journal of Organic Chemistry","2011","76","","2374","2378","10.1021/jo200164v","","","0.71073","MoKα","","0.0941","0.0635","","","0.1581","0.1798","","","","","","0.975","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026180","8.87","0.006","11.581","0.007","17.35","0.012","90","","99.727","0.011","90","","1757","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N2 O4 -","- C18 H15 Br N2 O4 -","- C72 H60 Br4 N8 O16 -","4","1","","Yao-Zong Liu; Rui-Ling Cheng; Peng-Fei Xu","Asymmetric Michael Addition of 1-Acetylindolin-3-ones to β-Nitrostyrenes Catalyzed by Bifunctional Thioureas: A Simple Access to 2-Functionalized Indoles","Journal of Organic Chemistry","2011","76","","2884","2887","10.1021/jo102022g","","","0.71073","MoKα","","0.1195","0.0582","","","0.1316","0.1595","","","","","","1.022","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026181","18.846","0.003","16.285","0.003","18.584","0.005","90","","90.355","0.003","90","","5703","2","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C58 H39 B F24 N3 Rh -","- C58 H39 B F24 N3 Rh -","- C232 H156 B4 F96 N12 Rh4 -","4","0.5","","Marianne Lenes Rosenberg; Klára Vlašaná; Nalinava Sen Gupta; David Wragg; Mats Tilset","Highlycis-Selective Rh(I)-Catalyzed Cyclopropanation Reactions","Journal of Organic Chemistry","2011","76","","2465","2470","10.1021/jo102140z","","","0.71073","MoKα","","0.1299","0.0836","","","0.2099","0.2361","","","","","","0.917","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026182","8.6158","0.0002","9.1007","0.0002","15.9933","0.0004","90.237","0.001","94.663","0.001","108.912","0.001","1181.79","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C52 H48 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0628","0.0492","","","0.1406","0.1538","","","","","","1.041","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026183","9.7543","0.0003","12.0791","0.0003","13.3845","0.0004","64.274","0.002","72.292","0.001","69.47","0.001","1308.71","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O5 S -","- C30 H26 N2 O5 S -","- C60 H52 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.1141","0.068","","","0.1864","0.2208","","","","","","1.055","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026184","7.487","0.0003","12.768","0.0006","13.672","0.0008","105.968","0.002","100.785","0.002","91.999","0.002","1229.17","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N3 O7 S -","- C26 H23 N3 O7 S -","- C52 H46 N6 O14 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0834","0.0501","","","0.1328","0.1483","","","","","","0.978","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026185","9.2163","0.0002","11.8473","0.0002","13.3206","0.0003","64.949","0.001","73.644","0.001","73.847","0.001","1242.99","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br N2 O5 S -","- C26 H23 Br N2 O5 S -","- C52 H46 Br2 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0594","0.0453","","","0.1131","0.1228","","","","","","1.014","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026186","10.1649","0.0007","11.569","0.0008","12.0038","0.0008","62.991","0.001","76.864","0.002","84.433","0.002","1224.72","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br N2 O5 S -","- C26 H23 Br N2 O5 S -","- C52 H46 Br2 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0419","0.0325","","","0.083","0.0875","","","","","","1.054","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026187","28.1546","0.0007","8.2808","0.0002","21.8419","0.0005","90","","118.169","0.001","90","","4489.14","0.19","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 N2 O6 S -","- C23 H26 N2 O6 S -","- C184 H208 N16 O48 S8 -","8","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0435","0.0389","","","0.1047","0.1083","","","","","","1.041","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026188","10.0542","0.0003","18.2032","0.0006","23.872","0.0008","90","","90","","90","","4369","0.2","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C22 H24 N2 O5 S -","- C22 H24 N2 O5 S -","- C176 H192 N16 O40 S8 -","8","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.1332","0.0605","","","0.1822","0.2543","","","","","","0.827","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026189","8.6303","0.0002","10.7438","0.0003","13.4034","0.0004","81.226","0.001","76.262","0.001","70.854","0.002","1136.68","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N3 O7 S -","- C22 H23 N3 O7 S -","- C44 H46 N6 O14 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0756","0.0537","","","0.1611","0.1856","","","","","","1.036","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026190","8.8982","0.0004","10.2771","0.0005","13.5859","0.0006","80.865","0.003","72.579","0.003","72.938","0.002","1129.81","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Br N2 O5 S -","- C22 H23 Br N2 O5 S -","- C44 H46 Br2 N4 O10 S2 -","2","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.0374","0.0315","","","0.076","0.0785","","","","","","1.07","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026191","10.342","0.002","6.7854","0.0014","18.153","0.004","90","","97.52","0.03","90","","1262.9","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 Br O3 Si -","- C25 H37 Br O3 Si -","- C50 H74 Br2 O6 Si2 -","2","1","","Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang","Formal Synthesis of Cortistatins","Journal of Organic Chemistry","2011","76","","2479","2487","10.1021/jo102202t","","","0.71073","MoKα","","0.1221","0.047","","","0.0606","0.0704","","","","","","0.918","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026192","18.718","0.004","8.9611","0.0018","14.835","0.003","90","","97.02","0.03","90","","2469.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 O4 Si -","- C25 H36 O4 Si -","- C100 H144 O16 Si4 -","4","1","","Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang","Formal Synthesis of Cortistatins","Journal of Organic Chemistry","2011","76","","2479","2487","10.1021/jo102202t","","","0.71073","MoKα","","0.1592","0.0607","","","0.116","0.125","","","","","","1.001","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026193","13.491","0.004","13.676","0.004","21.937","0.006","90","","90.794","0.004","90","","4047","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H6 O S4 -","- C74 H6 O S4 -","- C296 H24 O4 S16 -","4","1","","Irina P. Romanova; Andrey V. Bogdanov; Vladimir F. Mironov; Gulnara R. Shaikhutdinova; Olga A. Larionova; Shamil K. Latypov; Alsu A. Balandina; Dmitry G. Yakhvarov; Aidar T. Gubaidullin; Alina F. Saifina; Oleg G. Sinyashin","Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C60","Journal of Organic Chemistry","2011","76","","2548","2557","10.1021/jo102332e","","","0.71073","MoKα","","0.368","0.0826","","","0.1246","0.2354","","","","","","0.992","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026194","10.1957","0.0011","19.914","0.002","18.513","0.002","90","","91.457","0.001","90","","3757.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H8 Cl3 N O -","- C70 H8 Cl3 N O -","- C280 H32 Cl12 N4 O4 -","4","1","","Irina P. Romanova; Andrey V. Bogdanov; Vladimir F. Mironov; Gulnara R. Shaikhutdinova; Olga A. Larionova; Shamil K. Latypov; Alsu A. Balandina; Dmitry G. Yakhvarov; Aidar T. Gubaidullin; Alina F. Saifina; Oleg G. Sinyashin","Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C60","Journal of Organic Chemistry","2011","76","","2548","2557","10.1021/jo102332e","","","0.71073","MoKα","","0.0949","0.0518","","","0.1063","0.1242","","","","","","1.026","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026195","8.1967","0.0001","9.8216","0.0002","9.2868","0.0002","90","","101.543","0.001","90","","732.51","0.02","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 I O -","- C18 H15 I O -","- C36 H30 I2 O2 -","2","1","","Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan","Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides","Journal of Organic Chemistry","2011","76","","2521","2531","10.1021/jo102374z","","","0.71073","MoKα","","0.0282","0.0212","","","0.0501","0.0579","","","","","","1.089","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026196","5.6207","0.0006","8.9814","0.0009","13.4657","0.0016","90","","98.176","0.006","90","","672.86","0.13","103","2","103","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H15 F O -","- C18 H15 F O -","- C36 H30 F2 O2 -","2","1","","Srinivasa Reddy Mothe; Prasath Kothandaraman; Weidong Rao; Philip Wai Hong Chan","Rapid Access to Halohydrofurans via Brønsted Acid-Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides","Journal of Organic Chemistry","2011","76","","2521","2531","10.1021/jo102374z","","","0.71073","MoKα","","0.0631","0.0443","","","0.1228","0.1457","","","","","","1.077","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026197","14.4658","0.0019","14.4658","0.0019","13.482","0.0018","90","","90","","90","","2821.2","0.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","2,6-Bis(triisopropylsilyl)-cyclopenta[2,1-b;3,4-b']dithiazole-4-one","2,6-Bis(triisopropylsilyl)-cyclopenta[2,1-b;3,4-b']dithiazole-4-one","","- C25 H42 N2 O S2 Si2 -","- C25 H42 N2 O S2 Si2 -","- C100 H168 N8 O4 S8 Si8 -","4","0.5","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0401","0.0344","","","0.0877","0.0929","","","","","","0.964","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026198","15.36","0.002","12.783","0.0016","19.119","0.002","90","","90","","90","","3754","0.8","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione","2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione","","- C16 H20 O2 S2 Si2 -","- C16 H20 O2 S2 Si2 -","- C128 H160 O16 S16 Si16 -","8","1","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0307","0.0257","","","0.0707","0.0742","","","","","","1.05","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026199","18.711","0.005","8.334","0.002","18.767","0.005","90","","97.692","0.004","90","","2900.1","1.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","2,7-bis(triisopropylsilyl)-benzo[2,1-b:3,4-b']dithiazole-4,5-dione","2,7-bis(triisopropylsilyl)-benzo[2,1-b:3,4-b']dithiazole-4,5-dione","","- C26 H42 N2 O2 S2 Si2 -","- C26 H42 N2 O2 S2 Si2 -","- C104 H168 N8 O8 S8 Si8 -","4","1","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0842","0.0623","","","0.1531","0.1651","","","","","","1.045","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026200","9.533","0.0003","10.9995","0.0004","11.9696","0.0005","90","","90","","90","","1255.11","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O S -","- C12 H18 N2 O S -","- C48 H72 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0906","0.0571","","","0.1477","0.1961","","","","","","1.097","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026201","7.6755","0.0002","10.2448","0.0003","17.465","0.0006","90","","90","","90","","1373.34","0.07","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O S -","- C13 H20 N2 O S -","- C52 H80 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0609","0.0431","","","0.1052","0.1312","","","","","","1.147","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026202","6.5475","0.0002","16.1647","0.0004","16.3838","0.0006","90","","90","","90","","1734.03","0.09","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Cl N2 O S -","- C15 H23 Cl N2 O S -","- C60 H92 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0819","0.052","","","0.132","0.1676","","","","","","1.117","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4026203","6.3446","0.0003","11.0696","0.0005","13.4095","0.0008","102.652","0.002","95.2089","0.0019","101.729","0.004","890.65","0.08","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H25 Cl N2 O S -","- C16 H25 Cl N2 O S -","- C32 H50 Cl2 N4 O2 S2 -","2","2","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0917","0.0605","","","0.1451","0.1706","","","","","","1.004","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026204","13.1061","0.0004","10.2071","0.0004","14.886","0.0005","90","","90.438","0.003","90","","1991.32","0.12","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl N2 O S -","- C17 H27 Cl N2 O S -","- C68 H108 Cl4 N8 O4 S4 -","4","2","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.113","0.0607","","","0.1736","0.2062","","","","","","1.221","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026205","6.4544","0.00021","12.33061","0.0004","16.15021","0.00059","90","","90","","90","","1285.34","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O S -","- C12 H20 N2 O S -","- C48 H80 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0952","0.0543","","","0.149","0.1867","","","","","","1.24","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026206","8.7773","0.0003","11.8656","0.0005","14.594","0.0007","90","","90","","90","","1519.93","0.11","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 N2 O S -","- C13 H22 N2 O S -","- C52 H88 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0874","0.0516","","","0.1294","0.167","","","","","","1.117","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026207","10.2036","0.0004","8.6192","0.0003","10.5131","0.0006","90","","101.707","0.0016","90","","905.36","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H27 Cl N2 O S -","- C16 H27 Cl N2 O S -","- C32 H54 Cl2 N4 O2 S2 -","2","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0533","0.0414","","","0.1135","0.1419","","","","","","1.16","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026208","5.9363","0.0002","7.4643","0.0003","17.4672","0.0009","90","","96.8255","0.0014","90","","768.49","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N2 O S -","- C15 H24 N2 O S -","- C30 H48 N4 O2 S2 -","2","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0855","0.0562","","","0.1482","0.1896","","","","","","1.216","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026209","17.6766","0.0005","17.6766","0.0005","12.3407","0.0002","90","","90","","120","","3339.4","0.14","173","2","173","2","","","","","","","","6","P 65","P 65","170","","","","- C36 H66 Cl2 N4 O3 S2 -","- C36 H66 Cl2 N4 O3 S2 -","- C108 H198 Cl6 N12 O9 S6 -","3","0.5","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.1078","0.0653","","","0.1618","0.2121","","","","","","1.146","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026210","6.1794","0.0004","10.36","0.0007","27.9401","0.0018","90","","90","","90","","1788.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F3 N3 O4 -","- C19 H18 F3 N3 O4 -","- C76 H72 F12 N12 O16 -","4","1","","Viktor O. Iaroshenko; Dmytro Ostrovskyi; Andranik Petrosyan; Satenik Mkrtchyan; Alexander Villinger; Peter Langer","Synthesis of Fluorinated Purine and 1-Deazapurine Glycosides as Potential Inhibitors of Adenosine Deaminase","Journal of Organic Chemistry","2011","76","","2899","2903","10.1021/jo102579g","","","0.71073","MoKα","","0.0474","0.0374","","","0.088","0.0928","","","","","","1.043","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026211","10.2659","0.0008","16.5538","0.0012","16.9975","0.0012","90","","90","","90","","2888.5","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Br N2 O -","- C30 H25 Br N2 O -","- C120 H100 Br4 N8 O4 -","4","1","","Takayoshi Arai; Makiko Wasai; Naota Yokoyama","Easy Access to Fully Functionalized Chiral Tetrahydro-β-Carboline Alkaloids","Journal of Organic Chemistry","2011","76","","2909","2912","10.1021/jo1025833","","","0.71073","MoKα","","0.1446","0.137","","","0.3728","0.38","","","","","","2.798","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026212","10.6539","0.0013","21.564","0.002","10.5326","0.0012","90","","90.132","0.001","90","","2419.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O4 S2 -","- C26 H26 N2 O4 S2 -","- C104 H104 N8 O16 S8 -","4","1","","Hui Xu; Shaojin Gu; Wanzhi Chen; Dacheng Li; Jianmin Dou","TBAF-Mediated Reactions of 1,1-Dibromo-1-alkenes with Thiols and Amines and Regioselective Synthesis of 1,2-Heterodisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","2448","2458","10.1021/jo2000176","","","0.71073","MoKα","","0.0972","0.047","","","0.1068","0.1394","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026213","8.2394","0.0008","11.41","0.0011","11.7344","0.0013","72.417","0.001","89.019","0.002","70.156","0.001","984.68","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Br2 N2 O4 S2 -","- C36 H54 Br2 N2 O4 S2 -","- C36 H54 Br2 N2 O4 S2 -","1","0.5","","Hui Xu; Shaojin Gu; Wanzhi Chen; Dacheng Li; Jianmin Dou","TBAF-Mediated Reactions of 1,1-Dibromo-1-alkenes with Thiols and Amines and Regioselective Synthesis of 1,2-Heterodisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","2448","2458","10.1021/jo2000176","","","0.71073","MoKα","","0.1226","0.0644","","","0.1546","0.1795","","","","","","1","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026214","5.352","0.009","7.214","0.011","35.96","0.06","90","","90.798","0.017","90","","1388","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 S8 -","- C28 H22 S8 -","- C56 H44 S16 -","2","0.5","","Guang Chen; Ilias Mahmud; Louise N. Dawe; Lee M. Daniels; Yuming Zhao","Synthesis and Properties of Conjugated Oligoyne-Centered π-Extended Tetrathiafulvalene Analogues and Related Macromolecular Systems","Journal of Organic Chemistry","2011","76","","2701","2715","10.1021/jo2000447","","","0.71075","MoKα","","0.1218","0.1143","","","0.3427","0.359","","","","","","1.511","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026215","7.827","0.004","8.897","0.004","23.452","0.01","91.643","0.011","90.138","0.014","95.741","0.01","1624.2","1.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H25 S8 -","- C35 H25 S8 -","- C70 H50 S16 -","2","1","","Guang Chen; Ilias Mahmud; Louise N. Dawe; Lee M. Daniels; Yuming Zhao","Synthesis and Properties of Conjugated Oligoyne-Centered π-Extended Tetrathiafulvalene Analogues and Related Macromolecular Systems","Journal of Organic Chemistry","2011","76","","2701","2715","10.1021/jo2000447","","","0.71075","MoKα","","0.0772","0.0671","","","0.1791","0.1926","","","","","","1.093","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026216","6.0781","0.0019","12.324","0.004","19.719","0.006","90","","90","","90","","1477.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br N2 O3 -","- C13 H19 Br N2 O3 -","- C52 H76 Br4 N8 O12 -","4","1","","Guolin Cheng; Xinyan Wang; Rui Zhu; Changwei Shao; Jimin Xu; Yuefei Hu","Total Synthesis of (-)-Cocaine and (-)-Ferruginine","Journal of Organic Chemistry","2011","76","","2694","2700","10.1021/jo200069m","","","0.7107","MoKα","","0.0503","0.0357","","","0.058","0.0627","","","","","","0.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026217","5.8249","0.0007","11.1726","0.0014","12.4624","0.0014","90","","90","","90","","811.04","0.17","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 B F3 N -","- C6 H13 B F3 N -","- C24 H52 B4 F12 N4 -","4","1","","Jessica Raushel; Deidre L. Sandrock; Kanth V. Josyula; Deborah Pakyz; Gary A. Molander","Reinvestigation of Aminomethyltrifluoroborates and Their Application in Suzuki-Miyaura Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","2762","2769","10.1021/jo2001066","","","0.71073","MoKα","","0.0224","0.0221","","","0.0565","0.0568","","","","","","1.072","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026218","8.4494","0.0003","12.0453","0.0005","14.0749","0.0008","114.534","0.003","90.775","0.003","109.493","0.002","1208.98","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 N O6 Si -","- C23 H35 N O6 Si -","- C46 H70 N2 O12 Si2 -","2","1","","Jutatip Boonsompat; Albert Padwa","An IMDAF Cycloaddition Approach toward the Synthesis of the Lycopodium Alkaloid (\±)-Fawcettidine","Journal of Organic Chemistry","2011","76","","2753","2761","10.1021/jo200125c","","","1.54178","CuKα","","0.0449","0.0349","","","0.0869","0.0931","","","","","","1.001","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026219","15.1192","0.0007","8.3556","0.0003","9.8683","0.0003","90","","90.894","0.003","90","","1246.51","0.08","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H16 N O4 -","- C15 H16 N O4 -","- C60 H64 N4 O16 -","4","1","","Jutatip Boonsompat; Albert Padwa","An IMDAF Cycloaddition Approach toward the Synthesis of the Lycopodium Alkaloid (\±)-Fawcettidine","Journal of Organic Chemistry","2011","76","","2753","2761","10.1021/jo200125c","","","1.54178","CuKα","","0.0405","0.0378","","","0.1066","0.108","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026220","7.6398","0.0002","10.5667","0.0003","19.3868","0.0005","90","","90","","90","","1565.05","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H13 F3 N3 -","- C20 H13 F3 N3 -","- C80 H52 F12 N12 -","4","1","","Christos P. Constantinides; Panayiotis A. Koutentis; Harry Krassos; Jeremy M. Rawson; Anastasios J. Tasiopoulos","Characterization and Magnetic Properties of a ""Super Stable"" Radical 1,3-Diphenyl-7-trifluoromethyl-1,4-dihydro-1,2,4-benzotriazin-4-yl","Journal of Organic Chemistry","2011","76","","2798","2806","10.1021/jo200210s","","","0.71073","MoKα","","0.032","0.0285","","","0.0716","0.0724","","","","","","1.093","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026221","10.0656","0.0003","14.638","0.0003","16.2287","0.0004","90","","90","","90","","2391.14","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.0348","0.0331","","","0.0802","0.081","","","","","","1.094","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026222","11.71","0.002","18.933","0.003","13.1103","0.0019","90","","110.071","0.011","90","","2730.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N2 O4 S -","- C28 H40 N2 O4 S -","- C112 H160 N8 O16 S4 -","4","2","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.063","0.0508","","","0.1217","0.1292","","","","","","1.027","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026223","18.8136","0.0007","12.6205","0.0004","16.4241","0.0007","90","","92.335","0.002","90","","3896.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F3 N2 O2 -","- C22 H17 F3 N2 O2 -","- C176 H136 F24 N16 O16 -","8","1","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.0503","0.0435","","","0.1069","0.1122","","","","","","1.034","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026224","21.235","0.017","8.271","0.007","13.904","0.011","90","","92.777","0.011","90","","2439","3","173.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 Br O4 -","- C26 H27 Br O4 -","- C104 H108 Br4 O16 -","4","1","","Shuji Yamashita; Kentaro Iso; Kazuki Kitajima; Masafumi Himuro; Masahiro Hirama","Total Synthesis of Cortistatins A and J","Journal of Organic Chemistry","2011","76","","2408","2425","10.1021/jo2002616","","","0.7107","MoKα","","","0.0687","","","","0.1967","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026225","12.401","","9.151","","14.292","","90","","101.03","","90","","1591.92","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O6 S -","- C32 H38 O10 S -","- C64 H76 O20 S2 -","2","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1265","0.0496","","","0.1301","0.1509","","","","","","1.197","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026226","10.952","","11.122","","20.295","","90","","90","","90","","2472.1","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O8 S -","- C25 H31 N O6 S -","- C100 H124 N4 O24 S4 -","4","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1891","0.0594","","","0.1053","0.1394","","","","","","0.947","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026227","8.304","","8.832","","27.774","","90","","90","","90","","2036.97","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 S -","- C19 H25 N O7 S -","- C76 H100 N4 O28 S4 -","4","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1438","0.0519","","","0.1131","0.1426","","","","","","1.008","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026228","16.3","0.004","9.767","0.002","10.675","0.002","90","","97.367","0.003","90","","1685.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C72 H72 Cl8 N8 O8 -","4","1","","Ming Li; Zhong-Min Zhou; Li-Rong Wen; Zhong-Xuan Qiu","Chemistry of Heterocyclic Ketene Aminals: Construction of Imidazo(pyrido)[1,2-a]pyridines and Imidazo(pyrido)[3,2,1-ij][1,8]naphthyridines via DABCO-Catalyzed Tandem Annulations","Journal of Organic Chemistry","2011","76","","3054","3063","10.1021/jo102167g","","","0.71073","MoKα","","0.0736","0.0671","","","0.1323","0.1359","","","","","","1.183","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026229","7.0376","0.0014","24.005","0.005","8.5996","0.0017","90","","101.32","0.03","90","","1424.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Ming Li; Zhong-Min Zhou; Li-Rong Wen; Zhong-Xuan Qiu","Chemistry of Heterocyclic Ketene Aminals: Construction of Imidazo(pyrido)[1,2-a]pyridines and Imidazo(pyrido)[3,2,1-ij][1,8]naphthyridines via DABCO-Catalyzed Tandem Annulations","Journal of Organic Chemistry","2011","76","","3054","3063","10.1021/jo102167g","","","0.71073","MoKα","","0.0907","0.0493","","","0.1166","0.1525","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026230","10.5715","0.0013","10.8354","0.0013","15.3212","0.0019","89.97","0.0018","110.615","0.0016","90.8135","0.0018","1642.4","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","2","","Anthony J. Brockway; Marcos González-López; James C. Fettinger; Jared T. Shaw","Direct Displacement of Alkoxy Groups of Vinylogous Esters by Grignard Reagents","Journal of Organic Chemistry","2011","76","","3515","3518","10.1021/jo102537n","","","0.71073","MoKα","","0.0488","0.0404","","","0.1094","0.1142","","","","","","1.05","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026231","18.698","0.0005","30.7933","0.0007","31.393","0.0008","90","","90","","90","","18075.2","0.8","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H242 N6 O62 P2 Si2 W17 -","- C134 N6 O62 P2 Si2 W17 -","- C536 N24 O248 P8 Si8 W68 -","4","1","","B. Matt; S. Renaudineau; L.-M. Chamoreau; C. Afonso; G. Izzet; A. Proust","Hybrid Polyoxometalates: Keggin and Dawson Silyl Derivatives as Versatile Platforms","Journal of Organic Chemistry","2011","76","","3107","3112","10.1021/jo102546v","","","0.71073","MoKα","","0.0983","0.0751","","","0.1572","0.1764","","","","","","1.161","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026232","13.1671","0.0019","13.1671","0.0019","19.597","0.004","90","","90","","90","","3397.6","1","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H27 N3 O0 -","- C19 H27 N3 -","- C152 H216 N24 -","8","1","","Fei Wang; Shangjun Cai; Qian Liao; Chanjuan Xi","A Protocol to 2-Aminobenzimidazoles via Copper-Catalyzed Cascade Addition and Cyclization of o-Haloanilines and Carbodiimides","Journal of Organic Chemistry","2011","76","","3174","3180","10.1021/jo200014v","","","0.71073","MoKα","","0.1037","0.0877","","","0.1819","0.1905","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026233","9.3845","0.001","11.3527","0.0012","27.088","0.003","90","","90","","90","","2885.9","0.5","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H19 B10 N O -","- C8 H19 B10 N O -","- C64 H152 B80 N8 O8 -","8","1","","Rashmirekha Satapathy; Barada Prasanna Dash; Chong Zheng; John A. Maguire; Narayan S. Hosmane","Carboranylpyrroles: A Synthetic Investigation","Journal of Organic Chemistry","2011","76","","3562","3565","10.1021/jo2000463","","","0.71073","MoKα","","0.1012","0.101","","","0.1817","0.1818","","","","","","1.498","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026234","9.1735","0.0004","9.1735","0.0004","25.9022","0.0014","90","","90","","120","","1887.72","0.15","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(R)-1,1'-bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H- 11,11'-binaphtho[2,3-b]azepine","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C90 H84 N6 O12 S6 -","3","0.5","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0491","0.0393","","","0.0924","0.0967","","","","","","1.085","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026235","10.4123","0.0007","10.7934","0.0006","27.6152","0.0016","90","","90","","90","","3103.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N,N'-(3,3'-diallyl-1,1'-binaphthyl-2,2'-diyl)bis(N-allyl- methanesulfonamide)","","- C34 H36 N2 O4 S2 -","- C34 H36 N2 O4 S2 -","- C136 H144 N8 O16 S8 -","4","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.1128","0.0572","","","0.1072","0.1251","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026236","10.7373","0.0015","10.7373","0.0015","47.341","0.01","90","","90","","120","","4726.7","1.4","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","(R)-N,N'-(3,3'-diallyl-1,1'-binaphthyl-2,2'-diyl)bis(N-allyl- methanesulfonamide)","","- C34 H36 N2 O4 S2 -","- C34 H36 N2 O4 S2 -","- C204 H216 N12 O24 S12 -","6","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0841","0.0558","","","0.1275","0.1363","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026237","16.648","0.003","9.1111","0.0018","29.258","0.005","90","","90","","90","","4437.9","1.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","rac-2,2',5,5'-Tetrahydro-11,11'-binaphtho[2,3-b]oxepine","","- C31 H25 O2 -","- C31 H25 O2 -","- C248 H200 O16 -","8","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.2658","0.0778","","","0.1329","0.1958","","","","","","0.93","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026238","10.6948","0.0003","10.6948","0.0003","40.1721","0.0013","90","","90","","120","","3979.2","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","(R)-1,1'-bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H- 11,11'-binaphtho[2,3-b]azepine#","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C180 H168 N12 O24 S12 -","6","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.0594","0.0451","","","0.1119","0.1185","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026239","24.797","0.0018","24.797","0.0018","26.391","0.003","90","","90","","120","","14054","2","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C36.67 H36 O4 -","- C36.6667 H35.99 O4 -","- C660 H647.82 O72 -","18","1","","Tao Wang; Zi-Yang Li; An-Le Xie; Xiao-Jun Yao; Xiao-Ping Cao; Dietmar Kuck","Tribenzotriquinacenes Bearing Six-Fold Benzofuran Extensions: Electron-Rich C3v-Symmetrical Hosts for C60","Journal of Organic Chemistry","2011","76","","3231","3238","10.1021/jo2000918","","","0.71073","MoKα","","0.2088","0.0701","","","0.1643","0.2041","","","","","","0.743","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026240","19.4535","0.0011","7.3089","0.0003","22.1934","0.0012","90","","96.279","0.002","90","","3136.6","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","1","","Sylvie Goncalves; Stefano Santoro; Marc Nicolas; Alain Wagner; Philippe Maillos; Fahmi Himo; Rachid Baati","Cationic Cyclization of 2-Alkenyl-1,3-dithiolanes: Diastereoselective Synthesis of trans-Decalins","Journal of Organic Chemistry","2011","76","","3274","3285","10.1021/jo2001116","","","0.71073","MoKα","","0.0863","0.0518","","","0.1322","0.1587","","","","","","1.043","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026241","7.9416","0.0016","7.0441","0.0014","23.239","0.005","90","","92.42","0.03","90","","1298.9","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Chao Li; Shanghui Tu; Shuguang Wen; Shan Li; Junbiao Chang; Feng Shao; Xiaoguang Lei","Total Synthesis of the G2/M DNA Damage Checkpoint Inhibitor Psilostachyin C","Journal of Organic Chemistry","2011","76","","3566","3570","10.1021/jo2001275","","","0.71073","MoKα","","0.1048","0.0915","","","0.1969","0.2047","","","","","","1.194","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026242","22.357","0.005","10.23","0.002","18.278","0.004","90","","116.86","0.03","90","","3729.4","1.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H58 O10 -","- C38 H58 O10 -","- C152 H232 O40 -","4","0.5","","Chao Li; Shanghui Tu; Shuguang Wen; Shan Li; Junbiao Chang; Feng Shao; Xiaoguang Lei","Total Synthesis of the G2/M DNA Damage Checkpoint Inhibitor Psilostachyin C","Journal of Organic Chemistry","2011","76","","3566","3570","10.1021/jo2001275","","","0.71073","MoKα","","0.0873","0.0813","","","0.197","0.2015","","","","","","1.22","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026243","10.069","0.005","9.734","0.005","19.568","0.009","90","","93.939","0.007","90","","1913.4","1.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08111","","","- C20 H29 N O4 -","- C20 H29 N O4 -","- C80 H116 N4 O16 -","4","2","","Andrew G. Lohse; Richard P. Hsung; Mitchell D. Leider; Sunil K. Ghosh","Developing a Diastereoselective Intramolecular [4 + 3] Cycloaddition of Nitrogen-Stabilized Oxyallyl Cations Derived from N-Sulfonyl-Substituted Allenamides","Journal of Organic Chemistry","2011","76","","3246","3257","10.1021/jo200147h","","","0.71073","MoKα","","0.0934","0.0645","","","0.1358","0.1479","","","","","","1.027","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026244","19.4943","0.0014","7.1177","0.0005","10.3329","0.0007","90","","93.7","0.001","90","","1430.75","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10149","","","- C15 H14 N2 O6 S -","- C15 H14 N2 O6 S -","- C60 H56 N8 O24 S4 -","4","1","","Andrew G. Lohse; Richard P. Hsung; Mitchell D. Leider; Sunil K. Ghosh","Developing a Diastereoselective Intramolecular [4 + 3] Cycloaddition of Nitrogen-Stabilized Oxyallyl Cations Derived from N-Sulfonyl-Substituted Allenamides","Journal of Organic Chemistry","2011","76","","3246","3257","10.1021/jo200147h","","","0.71073","MoKα","","0.0509","0.0385","","","0.0917","0.1032","","","","","","1.038","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026245","17.441","0.0003","14.2204","0.0003","11.6628","0.0003","90","","106.274","0.005","90","","2776.69","0.13","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C26 H7.5 N0.25 Sc0.75 -","- C26 H7.5 N0.25 Sc0.76 -","- C208 H60 N2 Sc6.08 -","8","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.7378","synchrotron","","0.1368","0.1262","","","0.3336","0.3466","","","","","","1.86","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026246","34.2052","0.0014","24.701","0.0012","31.3815","0.0014","90","","110.573","0.002","90","","24823","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C170 H122.5 N8.5 O4 Sc1.5 Zn2 -","- C170 H122.5 N8.25 O4 Sc1.53 Zn2 -","- C1360 H980 N66 O32 Sc12.24 Zn16 -","8","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.7378","synchrotron","","0.1867","0.1325","","","0.3027","0.3232","","","","","","1.806","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026247","14.3576","0.0005","45.9206","0.0015","21.1694","0.0005","90","","96.394","0.001","90","","13870.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C208 H104 N9 O4 Sc3 Zn2 -","- C211.879 H108.849 N9 O4 Sc3 Zn2 -","- C847.517 H435.396 N36 O16 Sc12 Zn8 -","4","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.7378","synchrotron","","0.1278","0.1146","","","0.2886","0.3002","","","","","","1.013","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026248","12.803","0.008","23.382","0.013","33.72","0.03","90","","94.558","0.014","90","","10062","12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C118 H99 N10 O6 Zn2 -","- C118 H99 N10 O6 Zn2 -","- C472 H396 N40 O24 Zn8 -","4","1","","Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester","Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies","Journal of Organic Chemistry","2011","76","","3258","3265","10.1021/jo200154d","","","0.71073","MoKα","","0.2318","0.099","","","0.2227","0.281","","","","","","1.221","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026249","7.2558","0.0002","11.0858","0.0004","12.0016","0.0004","90","","100.819","0.002","90","","948.21","0.05","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","(7R,8S)-8-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl) -1-azabicyclo[5.2.0]nonane-9-thione","","- C16 H31 N O S Si -","- C16 H31 N O S Si -","- C32 H62 N2 O2 S2 Si2 -","2","1","","Magdalena Woźnica; Aleksandra Butkiewicz; Aneta Grzywacz; Patrycja Kowalska; Marek Masnyk; Karol Michalak; Roman Luboradzki; Filipp Furche; Holger Kruse; Stefan Grimme; Jadwiga Frelek","Ring-Expanded Bicyclic β-Lactams: A Structure-Chiroptical Properties Relationship Investigation by Experiment and Calculations","Journal of Organic Chemistry","2011","76","","3306","3319","10.1021/jo200171w","","","0.71073","MoKα","","0.0604","0.0521","","","0.1014","0.1082","","","","","","1.101","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026250","16.5754","0.0006","5.9062","0.0002","16.6481","0.0008","90","","98.622","0.002","90","","1611.39","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Koujiro Tambara; Nandhini Ponnuswamy; Gunther Hennrich; G. Dan Pantoş","Microwave-Assisted Synthesis of Naphthalenemonoimides and N-Desymmetrized Naphthalenediimides","Journal of Organic Chemistry","2011","76","","3338","3347","10.1021/jo200177s","","","0.71073","MoKα","","0.1072","0.0497","","","0.1084","0.1259","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026251","8.7677","0.0004","16.5022","0.0007","20.6975","0.0008","90","","90","","90","","2994.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O7 S -","- C32 H41 N O7 S -","- C128 H164 N4 O28 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0282","0.0276","","","0.0711","0.0716","","","","","","1.051","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026252","7.5083","0.0005","17.6294","0.001","18.7013","0.001","90","","90","","90","","2475.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C104 H108 N4 O24 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0481","0.0429","","","0.121","0.1275","","","","","","1.063","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026253","9.0923","0.0005","15.3412","0.0006","17.4219","0.0009","90","","90","","90","","2430.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl [3R,3aS,4S,11bR,11cS,(S)S]-3-Ethoxy-11c-p-tolylsulfinyl -1-oxo-3a,4,11b,11c-tetrahydro-1H,3H-furo[3',4':3,4]pyrrolo[2,1-a] isoquinoline-4-carboxylate","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C104 H108 N4 O24 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0563","0.0395","","0.1019","0.0927","","","","1.049","1.06","1.06","","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026254","10.273","0.0013","10.2509","0.0014","11.609","0.002","90","","92.675","0.011","90","","1221.2","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl [3S,3aS,4S,11bR,11cS,(S)S]-3-ethoxy-11c-p-tolylsulfinyl -1-oxo-3a,4,11b,11c-tetrahydro-1H,3H-furo[3',4':3,4]pyrrolo[2,1-a] isoquinoline-4-carboxylate","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C52 H54 N2 O12 S2 -","2","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0439","0.037","","0.1028","0.0959","","","","1.054","1.053","1.053","","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026255","6.928","0.002","8.502","0.003","25.635","0.008","90","","95.193","0.006","90","","1503.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br2 O6 -","- C12 H14 Br2 O6 -","- C48 H56 Br8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.0816","0.0436","","","0.0935","0.1291","","","","","","1.063","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026256","9.838","0.003","13.901","0.003","12.084","0.003","90","","107.725","0.004","90","","1574.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br2 O4 -","- C15 H14 Br2 O4 -","- C60 H56 Br8 O16 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.094","0.0494","","","0.1161","0.1721","","","","","","1.049","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026257","6.778","0.005","10.779","0.005","18.776","0.005","90","0.005","99.987","0.005","90","0.005","1351","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 B Br2 F2 O6 -","- C10 H9 B Br2 F2 O6 -","- C40 H36 B4 Br8 F8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71069","MoKα","","0.04","0.0337","","","0.0851","0.0879","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026258","16.458","0.006","6.3995","0.0019","13.491","0.005","90","","115.273","0.01","90","","1284.9","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H10 Br2 O6 -","- C10 H10 Br2 O6 -","- C40 H40 Br8 O24 -","4","1","","Faiz Ahmed Khan; Ch. Nageswara Rao","Grob Fragmentation of Norbornyl α-Diketones: A Route to α-Ketoenols and Aromatic Compounds","Journal of Organic Chemistry","2011","76","","3320","3328","10.1021/jo200223a","","","0.71073","MoKα","","0.0658","0.0439","","","0.0998","0.1394","","","","","","1.102","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026259","5.7361","0.0003","13.5039","0.0006","19.7921","0.0008","90","","90","","90","","1533.09","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.1237","0.038","","","0.0476","0.0531","","","","","","0.925","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026260","10.989","0.002","11.956","0.002","14.877","0.004","105.234","0.005","94.855","0.005","116.184","0.004","1646.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 Br N4 -","- C19 H11 Br N4 -","- C76 H44 Br4 N16 -","4","2","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.0892","0.0438","","","0.0976","0.1167","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026261","5.709","0.0002","16.6315","0.0005","20.8904","0.0007","90","","95.408","0.002","90","","1974.7","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 -","- C26 H20 N4 -","- C104 H80 N16 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.109","0.044","","","0.071","0.0767","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026262","22.3967","0.0009","4.798","0.0002","9.4977","0.0004","90","","90","","90","","1020.62","0.07","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H16 B N O4 -","- C8 H16 B N O4 -","- C32 H64 B4 N4 O16 -","4","1","","Jing Sun; Michael T. Perfetti; Webster L. Santos","A Method for the Deprotection of Alkylpinacolyl Boronate Esters","Journal of Organic Chemistry","2011","76","","3571","3575","10.1021/jo200250y","","x-ray","0.71073","MoKα","","0.0481","0.0368","","","0.0767","0.0792","","","","","","1.025","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026263","7.9575","0.0004","12.5868","0.001","16.0983","0.001","90","","90","","90","","1612.4","0.18","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,7R)-5,6-dehydro-de-O-methyl-centrolobine","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Bernd Schmidt; Frank Hölter; Alexandra Kelling; Uwe Schilde","Pd-Catalyzed Arylation Reactions with Phenol Diazonium Salts: Application in the Synthesis of Diarylheptanoids","Journal of Organic Chemistry","2011","76","","3357","3365","10.1021/jo2002787","","","0.71073","MoKα","","0.0449","0.0358","","","0.0898","0.0925","","","","","","1.009","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026264","8.7826","0.0007","11.0357","0.0009","20.1586","0.0016","76.027","0.001","79.932","0.001","78.409","0.001","1840.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N -","- C26 H21 N -","- C104 H84 N4 -","4","2","","Trisha L. Andrew; Timothy M. Swager","Detection of Explosives via Photolytic Cleavage of Nitroesters and Nitramines","Journal of Organic Chemistry","2011","76","","2976","2993","10.1021/jo200280c","","","0.71073","MoKα","","0.0644","0.0493","","","0.1188","0.1294","","","","","","1.068","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026265","13.8401","0.0008","14.0384","0.0009","22.6045","0.0017","90","","90","","90","","4391.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H64 N8 O4 -","- C42 H64 N8 O4 -","- C168 H256 N32 O16 -","4","1","","Andrea Gualandi; Lucia Cerisoli; Helen Stoeckli-Evans; Diego Savoia","Pyrrole Macrocyclic Ligands for Cu-Catalyzed Asymmetric Henry Reactions","Journal of Organic Chemistry","2011","76","","3399","3408","10.1021/jo200318b","","","0.71073","MoKα","","0.1093","0.071","","","0.1681","0.1827","","","","","","1.033","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026266","27.0758","0.0004","27.0758","0.0004","26.8021","0.0005","90","","90","","120","","17016.2","0.5","173","2","173","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C61.33 H91 Cu2 N15.67 O8 -","- C46 H68 Cu2 N8 O8 -","- C414 H612 Cu18 N72 O72 -","9","0.5","","Andrea Gualandi; Lucia Cerisoli; Helen Stoeckli-Evans; Diego Savoia","Pyrrole Macrocyclic Ligands for Cu-Catalyzed Asymmetric Henry Reactions","Journal of Organic Chemistry","2011","76","","3399","3408","10.1021/jo200318b","","","0.71073","MoKα","","0.0407","0.0343","","","0.0747","0.0767","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026267","9.8346","0.0005","11.6403","0.0004","11.3098","0.0005","90","","112.693","0.002","90","","1194.49","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Br N O6 -","- C10 H14 Br N O6 -","- C40 H56 Br4 N4 O24 -","4","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.0338","0.0271","","","0.0648","0.0679","","","","","","1.039","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026268","8.5097","0.0007","10.9602","0.0005","12.5243","0.001","113.583","0.004","96.151","0.003","102.378","0.005","1021.1","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 F3 N O8 -","- C18 H22 F3 N O8 -","- C36 H44 F6 N2 O16 -","2","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.0982","0.0536","","","0.1067","0.1251","","","","","","1.026","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026269","9.9089","0.0004","16.8338","0.0007","17.9452","0.0007","90","","90","","90","","2993.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C120 H176 N16 O24 -","8","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.1032","0.0537","","","0.1243","0.1508","","","","","","1.018","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026270","7.3168","0.0012","14.561","0.002","15.378","0.003","88.274","0.013","79.914","0.014","80.603","0.014","1591.4","0.5","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H48 O4 -","- C37 H48 O4 -","- C74 H96 O8 -","2","1","","Andrew J. Tilley; Stephen M. Danczak; Christine Browne; Timothy Young; Tina Tan; Kenneth P. Ghiggino; Trevor A. Smith; Jonathan White","Synthesis and Fluorescence Characterization of MEHPPV Oligomers","Journal of Organic Chemistry","2011","76","","3372","3380","10.1021/jo200336m","","","1.5418","CuKα","","0.1811","0.0615","","","0.1396","0.1696","","","","","","0.672","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026271","10.6042","0.0015","11.3172","0.0018","13.244","0.002","90.326","0.008","102.534","0.009","91.518","0.011","1550.9","0.4","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H37 N3 O5 S -","- C34 H37 N3 O5 S -","- C68 H74 N6 O10 S2 -","2","2","","Peng Chen; Jin Qu","Backbone Modification of β-Hairpin-Forming Tetrapeptides in Asymmetric Acyl Transfer Reactions","Journal of Organic Chemistry","2011","76","","2994","3004","10.1021/jo200403g","","","0.71075","MoKα","","0.0778","0.0695","","","0.2177","0.2218","","","","","","1.08","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026272","8.0786","0.0002","8.0786","0.0002","48.3211","0.0009","90","","90","","90","","3153.62","0.13","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","[2R,(S)S]-2-Methyl-3-oxo-2-[2-(p-tolylsulfinyl)phenyl]butanenitrile","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Asymmetric Synthesis of Benzylic Quaternary Difunctionalized Carbons Mediated by a Remote Sulfinyl Group","Journal of Organic Chemistry","2011","76","","3597","3603","10.1021/jo2004204","","","1.54178","CuKα","","0.0365","0.0326","","","0.0804","0.0823","","","","","","1.054","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026273","13.7711","0.0004","11.8146","0.0004","13.9067","0.0004","90","","105.365","0.001","90","","2181.75","0.12","123.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H21 B F2 I N3 O3 -","- C21 H8 B F2 I N3 O3 -","- C84 H32 B4 F8 I4 N12 O12 -","4","2","","Takuya Matsumoto; Yasuteru Urano; Yoshinori Takahashi; Yusuke Mori; Takuya Terai; Tetsuo Nagano","In Situ Evaluation of Kinetic Resolution Catalysts for Nitroaldol by Rationally Designed Fluorescence Probe","Journal of Organic Chemistry","2011","76","","3616","3625","10.1021/jo1020344","","","0.7107","MoKα","","","0.0513","","","","0.1686","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026274","8.3742","0.0002","12.4885","0.0002","27.9806","0.0007","90","","90","","90","","2926.24","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","2","","Mark V. Riofski; Jinu P. John; Mary M. Zheng; Julia Kirshner; David A. Colby","Exploiting the Facile Release of Trifluoroacetate for the α-Methylenation of the Sterically Hindered Carbonyl Groups on (+)-Sclareolide and (-)-Eburnamonine","Journal of Organic Chemistry","2011","76","","3676","3683","10.1021/jo102114f","","","1.54184","CU-Kα","","0.047","0.033","","","0.074","0.085","","","","","","1.122","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026275","8.2499","0.0009","8.2499","0.0009","42.596","0.01","90","","90","","90","","2899.1","0.8","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C128 H200 N8 O16 -","8","2","","Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei","Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine","Journal of Organic Chemistry","2011","76","","3684","3690","10.1021/jo1023188","","","0.71073","MoKα","","0.2421","0.0703","","","0.1091","0.1577","","","","","","0.914","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026276","7.817","0.006","8.455","0.007","33.54","0.03","90","","90","","90","","2217","3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 N O5 -","- C21 H35 N O5 -","- C84 H140 N4 O20 -","4","1","","Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei","Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine","Journal of Organic Chemistry","2011","76","","3684","3690","10.1021/jo1023188","","","0.71073","MoKα","","0.2221","0.0891","","","0.2026","0.279","","","","","","0.963","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026277","14.545","0.003","14.937","0.003","19.953","0.005","108.353","0.008","99.477","0.01","91.92","0.008","4041.4","1.6","110","0.5","110","0.5","","","","","","","local laboratory","5","P -1","-P 1","2","","","","- C53.25 H47.25 Cl0.75 Cu N4 -","- C53 H47 Cl0.75 Cu N4 -","- C212 H188 Cl3 Cu4 N16 -","4","2","","Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente","Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles","Journal of Organic Chemistry","2011","76","","3765","3773","10.1021/jo200026u","","","0.71073","MoKα","","0.1401","0.07","","","0.1381","0.1624","","","","","","1.02","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026278","35.073","0.013","18.943","0.009","23.102","0.011","90","","130.67","0.02","90","","11642","10","110","0.5","110","0.5","","","","","","","local laboratory","5","C 1 2/c 1","-C 2yc","15","","","","- C53.47 H31.47 Cl1.4 Cu N4 -","- C53.4667 H31.4667 Cl1.4 Cu N4 -","- C641.6 H377.6 Cl16.8 Cu12 N48 -","12","1.5","","Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente","Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles","Journal of Organic Chemistry","2011","76","","3765","3773","10.1021/jo200026u","","","0.71073","MoKα","","0.3463","0.1339","","","0.2609","0.3433","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026279","11.9578","0.0007","13.0892","0.0006","15.4144","0.0008","68.471","0.004","68.114","0.004","75.445","0.004","2064.1","0.2","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C57 H29 Cu N7 -","- C57 H29 Cu N7 -","- C114 H58 Cu2 N14 -","2","1","","Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente","Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles","Journal of Organic Chemistry","2011","76","","3765","3773","10.1021/jo200026u","","","1.54178","CuKα","","0.121","0.0937","","","0.2665","0.2895","","","","","","1.074","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026280","6.7062","0.0004","23.8749","0.0015","42.484","0.003","90","","90","","90","","6802.1","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 B F2 N3 O -","- C20 H15.837 B F2 N3 O1.003 -","- C320 H253.392 B16 F32 N48 O16.048 -","16","2","","Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang","8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties","Journal of Organic Chemistry","2011","76","","3774","3781","10.1021/jo200050a","","","0.71073","MoKα","","0.1176","0.1048","","","0.2163","0.2227","","","","","","1.179","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026281","8.8527","0.0012","10.5888","0.0015","11.3977","0.0016","90.588","0.002","106.949","0.002","109.116","0.002","959","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 B F2 N3 O -","- C22 H20 B F2 N3 O -","- C44 H40 B2 F4 N6 O2 -","2","1","","Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang","8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties","Journal of Organic Chemistry","2011","76","","3774","3781","10.1021/jo200050a","","","0.71073","MoKα","","0.0667","0.0567","","","0.1689","0.1822","","","","","","1.037","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026282","13.1526","0.0004","15.4333","0.0005","38.6669","0.0011","90","","90","","90","","7848.9","0.4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O S2 -","- C20 H21 N3 O S2 -","- C320 H336 N48 O16 S32 -","16","2","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0918","0.0744","","","0.1633","0.1708","","","","","","1.19","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026283","9.7936","0.0009","11.1535","0.0009","14.1712","0.0012","110.199","0.004","95.882","0.004","108.694","0.004","1336","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N5 O S2 -","- C27 H35 N5 O S2 -","- C54 H70 N10 O2 S4 -","2","1","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0428","0.0359","","","0.0988","0.1033","","","","","","1.033","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026284","7.0373","0.0003","14.292","0.0007","14.6826","0.0008","90","","93.502","0.003","90","","1473.98","0.13","114","2","114","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 O S -","- C17 H15 N3 O S -","- C68 H60 N12 O4 S4 -","4","1","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0906","0.0466","","","0.1052","0.1182","","","","","","0.735","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026285","10.025","0.0001","6.6166","0.0001","15.4445","0.0002","90","","90.983","0.001","90","","1024.3","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br2 N3 O -","- C23 H19 Br2 N3 O -","- C46 H38 Br4 N6 O2 -","2","1","","Zhi-Peng Hu; Chun-Liang Lou; Jin-Jia Wang; Chun-Xia Chen; Ming Yan","Organocatalytic Conjugate Addition of Malononitrile to Conformationally Restricted Dienones","Journal of Organic Chemistry","2011","76","","3797","3804","10.1021/jo200112r","","","1.54178","CuKα","","0.0203","0.0197","","","0.0538","0.0541","","","","","","1.034","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026286","6.7895","0.0006","11.8108","0.001","17.2811","0.0014","90.006","0.002","90.002","0.002","90","0.002","1385.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","5-syn-hydroxyMetpyr","N-t-butoxycarbonyl-5-syn-hydroxy-2-azabicyclo[2.1.1]hexane","","- C7 H11 N O2 -","- C7 H11 N O2 -","- C56 H88 N8 O16 -","8","4","","Grant R. Krow; Ram Edupuganti; Deepa Gandla; Fang Yu; Matthew Sender; Philip E. Sonnet; Michael J. Zdilla; Charles DeBrosse; Kevin C. Cannon; Charles W. Ross; Amit Choudhary; Matthew D. Shoulders; Ronald T. Raines","Synthesis of Conformationally Constrained 5-Fluoro- and 5-Hydroxymethanopyrrolidines. Ring-Puckered Mimics of Gauche- and Anti-3-Fluoro- and 3-Hydroxypyrrolidines","Journal of Organic Chemistry","2011","76","","3626","3634","10.1021/jo200117p","","","0.71073","MoKα","","0.0739","0.0539","","","0.1431","0.1612","","","","","","1.032","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026287","10.4022","0.0015","11.7258","0.0017","11.7923","0.0017","82.894","0.003","70.861","0.003","86.657","0.003","1348.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 F3 N O3 -","- C26 H40 F3 N O3 -","- C52 H80 F6 N2 O6 -","2","1","","Punidha Sokkalingam; Chang-Hee Lee","Highly Sensitive Fluorescence ""Turn-On"" Indicator for Fluoride Anion with Remarkable Selectivity in Organic and Aqueous Media","Journal of Organic Chemistry","2011","76","","3820","3828","10.1021/jo200138t","","","0.71073","MoKα","","0.1602","0.0581","","","0.1504","0.187","","","","","","0.842","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026288","6.2624","0.0007","14.4474","0.0016","8.0465","0.0009","90","","107.326","0.001","90","","694.98","0.13","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 I N O3 -","- C5 H6 I N O3 -","- C20 H24 I4 N4 O12 -","4","1","","Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents","Journal of Organic Chemistry","2011","76","","3812","3819","10.1021/jo200163m","","","0.71073","MoKα","","0.0168","0.0148","","0.0344","0.0337","0.0329","","","","","","1.0552","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026289","9.1841","0.0003","10.313","0.0005","12.2949","0.0008","82.634","0.006","85.041","0.006","82.063","0.006","1141.04","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 I N O5 -","- C8 H14 I N O5 -","- C32 H56 I4 N4 O20 -","4","2","","Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents","Journal of Organic Chemistry","2011","76","","3812","3819","10.1021/jo200163m","","","0.71075","MoKα","","0.0573","0.0432","","0.1031","0.0926","0.1031","","","","","","0.9781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026290","6.5726","0.0001","12.6845","0.0002","11.8472","0.0008","90","","97.126","0.007","90","","980.07","0.07","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 I N O3 -","- C8 H10 I N O3 -","- C32 H40 I4 N4 O12 -","4","1","","Akira Yoshimura; Christopher T. Banek; Mekhman S. Yusubov; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Reactivity of 2-Iodylpyridines: Recyclable Hypervalent Iodine(V) Reagents","Journal of Organic Chemistry","2011","76","","3812","3819","10.1021/jo200163m","","","0.71075","MoKα","","0.0166","0.0145","","0.0353","0.0346","0.0353","","","","","","1.0008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026291","6.8438","0.0003","6.9463","0.0003","12.6905","0.0007","90","","92.924","0.005","90","","602.51","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C26 H38 N2 O6 -","2","1","","Alexis Kotland; Fabien Accadbled; Koen Robeyns; Jean-Bernard Behr","Synthesis and Fucosidase Inhibitory Study of Unnatural Pyrrolidine Alkaloid 4-epi-(+)-Codonopsinine","Journal of Organic Chemistry","2011","76","","4094","4098","10.1021/jo200176u","","","0.71073","MoKα","","0.0461","0.0458","","","0.1157","0.1159","","","","","","1.231","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026292","26.598","0.002","5.0807","0.0007","20.974","0.0018","90","","111.055","0.013","90","","2645.1","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C120 H112 O40 -","8","2","","Tao Liu; Youming Wang; Guiping Wu; Haibin Song; Zhenghong Zhou; Chuchi Tang","Organocatalyzed Enantioselective Michael Addition of 2-Hydroxy-1,4-naphthoquinone to β,γ-Unsaturated α-Ketophosphonates","Journal of Organic Chemistry","2011","76","","4119","4124","10.1021/jo2002825","","","1.54187","CuKα","","0.058","0.0547","","","0.1394","0.1458","","","","","","1.025","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026293","14.9487","0.0004","16.4549","0.0004","11.023","0.0002","90","","96.8176","","90","","2692.26","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 S -","- C16 H11 N3 S -","- C128 H88 N24 S8 -","8","2","","Takenori Mitamura; Kimiyo Iwata; Akiya Ogawa","Photoinduced Intramolecular Cyclization of o-Ethenylaryl Isocyanides with Organic Disulfides Mediated by Diphenyl Ditelluride","Journal of Organic Chemistry","2011","76","","3880","3887","10.1021/jo200299d","","","0.71075","MoKα","","","0.0386","","","","0.1013","","","","","","1.08","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026294","10.883","0.0005","8.5647","0.0004","14.0767","0.0006","90","","101.686","0.0013","90","","1284.89","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C60 H48 N8 S4 -","4","1","","Takenori Mitamura; Kimiyo Iwata; Akiya Ogawa","Photoinduced Intramolecular Cyclization of o-Ethenylaryl Isocyanides with Organic Disulfides Mediated by Diphenyl Ditelluride","Journal of Organic Chemistry","2011","76","","3880","3887","10.1021/jo200299d","","","0.71075","MoKα","","","0.0281","","","","0.0706","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026295","11.7955","0.0017","11.7955","0.0017","28.477","0.004","90","","90","","90","","3962.1","1","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","2","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.0921","0.0511","","","0.1041","0.1144","","","","","","1.013","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026296","22.34","0.002","6.8469","0.0006","17.6753","0.0016","90","","100.956","0.001","90","","2654.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O4 -","- C32 H34 N2 O4 -","- C128 H136 N8 O16 -","4","1","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.1284","0.0987","","","0.2619","0.2788","","","","","","1.043","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026297","10.847","0.004","21.365","0.009","13.644","0.006","90","","90","","90","","3162","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H42 N2 O4 -","- C36 H42 N2 O4 -","- C144 H168 N8 O16 -","4","2","","Marwan W. Ghosn; Christian Wolf","Synthesis, Conformational Stability, and Asymmetric Transformation of Atropisomeric 1,8-Bisphenolnaphthalenes","Journal of Organic Chemistry","2011","76","","3888","3897","10.1021/jo200309g","","","0.71073","MoKα","","0.0792","0.0756","","","0.1649","0.1665","","","","","","1.138","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026298","9.8528","0.0003","10.1429","0.0003","10.9377","0.0003","86.801","0.001","83.17","0.001","69.752","0.001","1018.12","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","rearranged PDIPA diboron","","","- C16 H32 B2 K N O5 -","- C16 H32 B2 K N O5 -","- C32 H64 B4 K2 N2 O10 -","2","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","","0.71073","MoKα","","0.044","0.0378","","","0.0988","0.103","","","","","","1.025","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026299","9.5436","0.0002","11.7206","0.0003","13.6397","0.0003","90","","90","","90","","1525.69","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R,R)-PDIPA diboron","","","- C12 H25 B2 N O4 -","- C12 H25 B2 N O4 -","- C48 H100 B8 N4 O16 -","4","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","x-ray","1.54178","CuKα","","0.0386","0.0365","","","0.0973","0.0994","","","","","","1.089","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026300","9.5091","0.0003","11.82","0.0003","13.6947","0.0004","90","","90","","90","","1539.25","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pinacolato diisopropanolaminato diboron","","","- C12 H25 B2 N O4 -","- C12 H25 B2 N O4 -","- C48 H100 B8 N4 O16 -","4","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","","0.71073","MoKα","","0.0571","0.0495","","","0.134","0.1433","","","","","","1.056","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026301","11.509","0.002","5.4181","0.0011","19.681","0.004","90","","99.37","0.003","90","","1210.9","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","David F. Finnegan; Marc L. Snapper","Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence","Journal of Organic Chemistry","2011","76","","3644","3653","10.1021/jo200359c","","","0.71073","MoKα","","0.075","0.054","","","0.128","0.1378","","","","","","1.086","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026302","5.2082","0.0005","24.327","0.002","10.8755","0.001","90","","103.476","0.002","90","","1340","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","David F. Finnegan; Marc L. Snapper","Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence","Journal of Organic Chemistry","2011","76","","3644","3653","10.1021/jo200359c","","","0.71073","MoKα","","0.0481","0.0444","","","0.1113","0.1138","","","","","","1.082","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026303","8.5306","0.0014","16.65","0.003","10.7514","0.0017","90","","107.421","0.003","90","","1457","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","David F. Finnegan; Marc L. Snapper","Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence","Journal of Organic Chemistry","2011","76","","3644","3653","10.1021/jo200359c","","","0.71073","MoKα","","0.07","0.0525","","","0.1174","0.1257","","","","","","0.956","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026304","10.9066","0.0015","8.1505","0.0011","12.412","0.0018","90","","113.038","0.007","90","","1015.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Br O3 -","- C9 H13 Br O3 -","- C36 H52 Br4 O12 -","4","2","","Jun-Tao Zhang; Xian-Liang Qi; Jie Chen; Bao-Sheng Li; You-Bai Zhou; Xiao-Ping Cao","Total Synthesis of Malyngamides K, L, and 5''-epi-C and Absolute Configuration of Malyngamide L","Journal of Organic Chemistry","2011","76","","3946","3959","10.1021/jo2003852","","","0.71073","MoKα","","0.0683","0.0406","","","0.072","0.0811","","","","","","0.954","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026305","10.913","0.008","8.164","0.006","12.409","0.009","90","","112.943","0.009","90","","1018.1","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Br O3 -","- C9 H13 Br O3 -","- C36 H52 Br4 O12 -","4","2","","Jun-Tao Zhang; Xian-Liang Qi; Jie Chen; Bao-Sheng Li; You-Bai Zhou; Xiao-Ping Cao","Total Synthesis of Malyngamides K, L, and 5''-epi-C and Absolute Configuration of Malyngamide L","Journal of Organic Chemistry","2011","76","","3946","3959","10.1021/jo2003852","","","0.71073","MoKα","","0.098","0.0547","","","0.1189","0.1362","","","","","","0.943","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026306","6.961","","8.318","","18.806","","90","","90","","90","","1088.9","","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C48 H36 Br4 O12 -","4","1","","Chih-Wei Chang; Rong-Jie Chein","Absolute Configuration of Anti-HIV-1 Agent (-)-Concentricolide: Total Synthesis of (+)-(R)-Concentricolide","Journal of Organic Chemistry","2011","76","","4154","4157","10.1021/jo2004132","","","0.71073","MoKα","","0.0455","0.0313","","","0.058","0.0625","","","","","","1.038","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026307","9.4716","0.0011","8.2895","0.0008","12.6979","0.0016","90","","99.295","0.012","90","","983.9","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C48 H40 O12 -","2","0.5","","Chih-Wei Chang; Rong-Jie Chein","Absolute Configuration of Anti-HIV-1 Agent (-)-Concentricolide: Total Synthesis of (+)-(R)-Concentricolide","Journal of Organic Chemistry","2011","76","","4154","4157","10.1021/jo2004132","","","0.71073","MoKα","","0.1452","0.0668","","","0.1434","0.1831","","","","","","1.045","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026308","8.1547","0.0002","22.8614","0.0004","24.6075","0.0004","90","","90","","90","","4587.52","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br F3 N2 O2 -","- C24 H22 Br F3 N2 O2 -","- C192 H176 Br8 F24 N16 O16 -","8","2","","Partha Ghosh; Jeffrey Aubé","Resolution of Carboxylic Acids Using Copper(I)-Promoted Removal of Propargylic Esters under Neutral Conditions","Journal of Organic Chemistry","2011","76","","4168","4172","10.1021/jo200433w","","","1.54178","CuKα","","0.0463","0.0449","","","0.1248","0.1258","","","","","","1.045","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026309","6.7056","0.0011","15.7761","0.001","8.0956","0.0008","90","","97.03","0.012","90","","849.98","0.17","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O4 S -","- C17 H17 N3 O4 S -","- C34 H34 N6 O8 S2 -","2","1","","Xiong-Li Liu; Zhi-Jun Wu; Xi-Lin Du; Xiao-Mei Zhang; Wei-Cheng Yuan","Amino-Indanol-Catalyzed Asymmetric Michael Additions of Oxindoles to Protected 2-Amino-1-nitroethenes for the Synthesis of 3,3'-Disubstituted Oxindoles Bearing α,β-Diamino Functionality","Journal of Organic Chemistry","2011","76","","4008","4017","10.1021/jo2004378","","","0.71073","MoKα","","0.0303","0.0296","","","0.0712","0.0717","","","","","","1.051","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026310","7.7506","0.001","14.8393","0.0019","14.9278","0.0019","90","","92.947","0.002","90","","1714.6","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O22 -","- C29 H44 O22 -","- C58 H88 O44 -","2","1","","Yali Li; Jiansong Sun; Yanqing Gong; Biao Yu","Synthesis of Oligomeric 4-(Glycosyloxy)benzoate Macrocyclic Glycosides","Journal of Organic Chemistry","2011","76","","3654","3663","10.1021/jo200440r","","","0.71073","MoKα","","0.0648","0.051","","","0.1254","0.1364","","","","","","1.065","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4026311","7.6466","0.0006","11.7186","0.0009","16.8849","0.0015","90","","90","","90","","1513","0.2","200","2","200","2","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0639","0.0555","","","0.1485","0.1584","","","","","","1.002","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026312","8.86","0.0001","17.561","0.0003","11.854","0.0002","90","","96.58","0.001","90","","1832.22","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0722","0.0547","","","0.1413","0.1592","","","","","","1.079","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026313","7.8754","0.0002","7.983","0.0002","14.3221","0.0004","92.42","0.002","91.209","0.002","96.622","0.001","893.31","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0494","0.0428","","","0.1209","0.1258","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026314","8.4592","0.0003","11.0674","0.0004","11.6506","0.0004","92.842","0.002","108.109","0.003","111.504","0.002","947.92","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0625","0.044","","","0.118","0.1314","","","","","","1.039","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026315","9.281","0.0003","10.1866","0.0004","11.8471","0.0004","65.299","0.002","87.753","0.002","68.65","0.002","939.25","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.0699","0.0476","","","0.1372","0.1605","","","","","","1.041","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026316","8.5409","0.0005","9.9028","0.0007","12.1158","0.0009","65.82","0.005","89.73","0.004","73.515","0.003","889.09","0.11","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Yi-Shiang Chou; Tern-Chi Lin; Li-Yu Tseng","Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes","Journal of Organic Chemistry","2011","76","","4027","4033","10.1021/jo200445p","","","0.71073","MoKα","","0.1474","0.0832","","","0.1996","0.2468","","","","","","1.034","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026317","7.457","0.0004","9.906","0.0006","19.228","0.0009","90","","90","","90","","1420.35","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0712","0.0497","","","0.1122","0.1224","","","","","","1.047","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026318","7.575","0.0001","7.573","0.0001","45.441","0.001","90","","90","","90","","2606.74","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br N3 O4 -","- C10 H14 Br N3 O4 -","- C80 H112 Br8 N24 O32 -","8","2","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0831","0.0505","","","0.0752","0.0873","","","","","","1.071","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026319","9.429","0.0005","10.488","0.0005","14.172","0.0008","90","","108.53","0.003","90","","1328.83","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","2","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0802","0.0514","","","0.1383","0.1643","","","","","","0.878","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026320","13.2247","0.0016","8.406","0.0009","17.517","0.003","90","","106.67","0.015","90","","1865.5","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O5 S -","- C18 H16 N2 O5 S -","- C72 H64 N8 O20 S4 -","4","1","","Yin-Huan Jin; Fan Fang; Xiang Zhang; Qing-Zhou Liu; Hao-Bo Wang; Shi-Kai Tian","Four-Component Reaction of N-Sulfonylimines, (Cyanomethylene)triphenylphosphorane, Nitromethane, and Formaldehyde for the Synthesis of 3-Substituted 2-Methylene-4-nitrobutanenitriles","Journal of Organic Chemistry","2011","76","","4163","4167","10.1021/jo200483n","","","1.54184","CuKα","","0.0952","0.0798","","","0.1376","0.1446","","","","","","1.057","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026321","10.922","0.008","20.395","0.014","25.136","0.017","68.929","0.008","81.221","0.009","81.589","0.009","5138","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H116 B4 F8 N10 -","- C102 H88 B4 F8 N10 -","- C204 H176 B8 F16 N20 -","2","1","","Daniel T. Chase; Brian S. Young; Michael M. Haley","Incorporating BODIPY Fluorophores into Tetrakis(arylethynyl)benzenes","Journal of Organic Chemistry","2011","76","","4043","4051","10.1021/jo200491m","","","0.71073","MoKα","","0.2196","0.0909","","","0.1953","0.2193","","","","","","1.008","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026322","16.683","0.018","3.89","0.004","17.188","0.019","90","0.002","115.15","0.003","90","0.002","1009.7","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","BTT-dimer","BTT-dimer","","- C24 H10 S6 -","- C24 H10 S6 -","- C48 H20 S12 -","2","0.5","","Tomoya Kashiki; Masahiro Kohara; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Synthesis and Characterization of Benzo[1,2-b:3,4-b':5,6-b'']trithiophene (BTT) Oligomers","Journal of Organic Chemistry","2011","76","","4061","4070","10.1021/jo2005044","","","0.7107","MoKα","","0.0966","0.0536","","","0.1207","0.1393","","","","","","0.869","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026323","10.255","0.005","15.864","0.007","17.626","0.008","66.049","0.012","84.591","0.015","89.059","0.016","2608","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C8BTT-dimer","C8BTT-dimer","","- C56 H74 S6 -","- C56 H74 S6 -","- C112 H148 S12 -","2","1","","Tomoya Kashiki; Masahiro Kohara; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Synthesis and Characterization of Benzo[1,2-b:3,4-b':5,6-b'']trithiophene (BTT) Oligomers","Journal of Organic Chemistry","2011","76","","4061","4070","10.1021/jo2005044","","","0.7107","MoKα","","0.1029","0.0622","","","0.1781","0.2286","","","","","","0.749","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026324","13.2634","0.0008","9.4146","0.0006","16.7765","0.001","90","","108.687","0.001","90","","1984.4","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Vincent Gembus; Svetlana Postikova; Vincent Levacher; Jean-François Brière","Highly Regio- and Diastereoselective Anionic [3 + 2] Cycloaddition under Phase Transfer Catalytic Conditions","Journal of Organic Chemistry","2011","76","","4194","4199","10.1021/jo2005268","","x-ray","0.71073","MoKα","","0.0504","0.0418","","","0.1078","0.1138","","","","","","1.027","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026325","9.176","0.004","10.586","0.004","13.057","0.005","89.374","0.006","89.611","0.006","68.186","0.006","1177.4","0.8","293","1","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H58 Br2 O6 -","- C48 H58 Br2 O6 -","- C48 H58 Br2 O6 -","1","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0948","0.0583","","","0.1505","0.1618","","","","","","0.905","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026326","8.784","0.0012","10.474","0.0014","14.2802","0.0019","73.776","0.002","79.225","0.002","69.132","0.002","1173.1","0.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H64 O8 -","- C50 H64 O8 -","- C50 H64 O8 -","1","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.067","0.0602","","","0.1714","0.1784","","","","","","1.051","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026327","13.4243","0.0008","19.5187","0.0012","19.3669","0.0012","90","","97.755","0.001","90","","5028.2","0.5","173","1","173","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 O8 -","- C54 H72 O8 -","- C216 H288 O32 -","4","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0647","0.057","","","0.1613","0.1673","","","","","","1.074","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026328","9.1686","0.0006","10.181","0.0007","15.1314","0.001","74.467","0.001","76.682","0.001","69.341","0.001","1258.81","0.15","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 F6 O8 -","- C52 H62 F6 O8.4 -","- C52 H62 F6 O8.4 -","1","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0494","0.0458","","","0.128","0.131","","","","","","1.072","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026329","9.9296","0.0011","20.074","0.002","28.271","0.003","90","","96.792","0.002","90","","5595.6","1","173","1","173","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H76 O6 -","- C64 H76 O6 -","- C256 H304 O24 -","4","0.5","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0817","0.0681","","","0.1557","0.1632","","","","","","1.146","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026330","12.9147","0.001","14.1631","0.0011","17.6459","0.0014","88.827","0.001","73.188","0.001","81.017","0.001","3050.8","0.4","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C67.3 H82.2 Cl3 O6.3 -","- C67.3 H82.2 Cl3 O6.3 -","- C134.6 H164.4 Cl6 O12.6 -","2","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0807","0.0707","","","0.1982","0.206","","","","","","1.042","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026331","14.9665","0.0013","13.1868","0.0011","31.015","0.003","90","","90.337","0.002","90","","6121","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H82 N2 O6 -","- C68 H82 N2 O6 -","- C272 H328 N8 O24 -","4","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.1348","0.0998","","","0.2155","0.2329","","","","","","1.063","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026332","19.1205","0.0012","33.057","0.002","19.4205","0.0012","90","","106.776","0.001","90","","11752.6","1.3","173","1","173","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C65.5 H78 Cl1.5 O6 -","- C65.5 H78 Cl1.5 O6 -","- C524 H624 Cl12 O48 -","8","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0966","0.0679","","","0.1783","0.1933","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026333","19.543","0.0008","14.7238","0.0006","23.4858","0.001","90","","105.396","0.001","90","","6515.5","0.5","173","1","173","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78 H92 O6 -","- C78 H92 O6 -","- C312 H368 O24 -","4","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.1089","0.078","","","0.1738","0.1891","","","","","","1.05","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026334","11.0459","0.0003","22.6548","0.0005","12.0042","0.0003","90","","115.116","0.002","90","","2719.94","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H37 N O2 S Si -","- C25 H37 N O2 S Si -","- C100 H148 N4 O8 S4 Si4 -","4","2","","Bo Liu; Chong-Dao Lu","Asymmetric Synthesis of cis-2-Aminocyclopropanols by Intramolecular Mannich Addition of Silyloxy Benzyl Carbanions","Journal of Organic Chemistry","2011","76","","4205","4209","10.1021/jo200585r","","","0.71073","MoKα","","0.1393","0.0608","","","0.1128","0.1309","","","","","","0.999","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026335","12.988","0.003","12.188","0.002","23.837","0.005","90","","98.01","0.03","90","","3736.5","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cl3 I N3 O6 -","- C42 H35 Cl3 I N3 O6 -","- C168 H140 Cl12 I4 N12 O24 -","4","1","","Peipei Cui; Liang Xu; Zhangjie Shi; Liangbing Gan","Synthesis of Decahydropyrrolo[2,1,5-cd]indolizine through Consecutive [2 + 3] Cycloadditions and 6-Exo-Trig Cyclization","Journal of Organic Chemistry","2011","76","","4210","4212","10.1021/jo200601y","","","0.71073","MoKα","","0.0503","0.0482","","","0.1116","0.1131","","","","","","1.132","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026336","7.856","0.006","16.164","0.012","13.794","0.01","90","","94.326","0.009","90","","1747","2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 S2 -","- C22 H16 N2 S2 -","- C88 H64 N8 S8 -","4","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0489","0.0383","","","0.1092","0.1159","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026337","7.5444","0.0015","10.573","0.002","14.34","0.003","85","0.03","85.59","0.02","78.26","0.03","1113.6","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O2 S2 -","- C24 H21 Br N2 O2 S2 -","- C48 H42 Br2 N4 O4 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1081","0.0865","","","0.2033","0.2189","","","","","","0.925","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026338","8.0338","0.0014","10.95","0.0019","14.898","0.003","94.525","0.002","99.489","0.001","103.592","0.002","1246.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Br2 Cl3 N2 S2 -","- C23 H15 Br2 Cl3 N2 S2 -","- C46 H30 Br4 Cl6 N4 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0854","0.0526","","","0.138","0.1484","","","","","","0.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026339","11.0799","0.0012","11.4001","0.0012","14.4791","0.0015","87.593","0.002","71.357","0.001","62.879","0.002","1530.7","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H46 Cl6 N12 O S4 -","- C59 H46 Cl6 N12 O S4 -","- C59 H46 Cl6 N12 O S4 -","1","0.5","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1674","0.0768","","","0.1787","0.1981","","","","","","1.008","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026340","7.3376","0.0014","10.669","0.002","20.154","0.004","77.835","0.003","89.54","0.003","77.556","0.003","1504.9","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cl3 N4 S2 -","- C33 H23 Cl3 N4 S2 -","- C66 H46 Cl6 N8 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1506","0.0511","","","0.0753","0.0877","","","","","","0.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026341","8.4609","0.0019","11.516","0.003","13.513","0.003","87.678","0.003","86.804","0.002","87.208","0.003","1312.1","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cl3 N6 S2 -","- C27 H17 Cl3 N6 S2 -","- C54 H34 Cl6 N12 S4 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0903","0.0677","","","0.2072","0.2275","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026342","8.163","0.008","11.131","0.011","11.562","0.011","88.605","0.014","77.241","0.016","78.707","0.015","1004.6","1.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F6 N4 P S -","- C20 H15 F6 N4 P S -","- C40 H30 F12 N8 P2 S2 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1013","0.0642","","","0.1702","0.2068","","","","","","1.08","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026343","14.1891","0.0013","14.4246","0.0014","17.759","0.0017","76.417","0.001","84.655","0.001","76.239","0.001","3429","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N4 O2 S -","- C19 H16 N4 O2 S -","- C152 H128 N32 O16 S8 -","8","4","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0968","0.0493","","","0.094","0.1099","","","","","","0.872","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026344","5.992","0.004","7.978","0.005","9.542","0.007","67.835","0.018","71.955","0.019","77.75","0.02","399.3","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C14 H10 Br2 N4 S2 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0346","0.0308","","","0.075","0.0762","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026345","8.1135","0.0016","11.169","0.002","12.788","0.003","96.786","0.003","98.909","0.002","104.079","0.003","1095.7","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Br2 Cl3 N4 S -","- C20 H11 Br2 Cl3 N4 S -","- C40 H22 Br4 Cl6 N8 S2 -","2","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.1157","0.078","","","0.2041","0.2222","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026346","7.973","0.005","22.289","0.013","10.729","0.006","90","","101.187","0.008","90","","1870.4","1.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 S3 -","- C20 H16 N4 S3 -","- C80 H64 N16 S12 -","4","1","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0597","0.0393","","","0.0913","0.0999","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026347","6.9905","0.0016","10.659","0.003","13.335","0.003","90","","108.125","0.003","90","","944.3","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br2 S4 -","- C18 H12 Br2 S4 -","- C36 H24 Br4 S8 -","2","0.5","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0596","0.0331","","","0.0612","0.0651","","","","","","0.874","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026348","11.211","0.005","7.868","0.003","16.06","0.007","90","","120.036","0.005","90","","1226.4","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 S4 -","- C28 H20 N2 S4 -","- C56 H40 N4 S8 -","2","0.5","","Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You","Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","4444","4456","10.1021/jo200065d","","","0.71073","MoKα","","0.0601","0.035","","","0.0638","0.0697","","","","","","0.857","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026349","22.19","0.006","6.1816","0.0015","9.337","0.002","90","","91.448","0.004","90","","1280.3","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C8 H11 Cl F4 N2 O S -","- C8 H11 Cl F4 N2 O S -","- C32 H44 Cl4 F16 N8 O4 S4 -","4","1","","Li-Juan Liu; Ling-Jun Chen; Peng Li; Xiao-Bo Li; Jin-Tao Liu","Optically Pure Polyfluoroalkanesulfinamides: Synthesis and Application as Promising and Monitorable Chiral Auxiliaries","Journal of Organic Chemistry","2011","76","","4675","4681","10.1021/jo200119x","","","0.71073","MoKα","","0.0671","0.0574","","","0.1544","0.1739","","","","","","1.011","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026350","25.2","0.005","5.6924","0.0011","11.547","0.002","90","","106.213","0.003","90","","1590.5","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H10 Cl F4 N O3 S -","- C12 H10 Cl F4 N O3 S -","- C48 H40 Cl4 F16 N4 O12 S4 -","4","1","","Li-Juan Liu; Ling-Jun Chen; Peng Li; Xiao-Bo Li; Jin-Tao Liu","Optically Pure Polyfluoroalkanesulfinamides: Synthesis and Application as Promising and Monitorable Chiral Auxiliaries","Journal of Organic Chemistry","2011","76","","4675","4681","10.1021/jo200119x","","","0.71073","MoKα","","0.0913","0.0843","","","0.2141","0.225","","","","","","1.053","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026351","7.31","0.005","11.771","0.005","13.336","0.005","86.844","0.005","79.135","0.005","89.79","0.005","1125.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 B F2 N2 -","- C29 H19 B F2 N2 -","- C58 H38 B2 F4 N4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71069","MoKα","","0.0571","0.0396","","","0.1012","0.112","","","","","","1.019","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026352","12.2879","0.0007","13.5015","0.001","14.9489","0.0012","67.988","0.003","67.773","0.004","67.228","0.004","2039.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H41 B N2 O2 S2 -","- C49 H41 B N2 O2 S2 -","- C98 H82 B2 N4 O4 S4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.0668","0.0439","","","0.1043","0.117","","","","","","1.029","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026353","14.0948","0.001","20.313","0.0011","20.3589","0.0015","63.584","0.004","79.808","0.003","83.418","0.005","5133.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H90 B2 N4 O8 -","- C138 H90 B2 N4 O8 -","- C276 H180 B4 N8 O16 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.1245","0.0849","","","0.235","0.2768","","","","","","1.074","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026354","11.119","0.004","11.674","0.003","15.572","0.004","78.73","0.02","73.51","0.02","66.73","0.02","1772.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 B N2 -","- C47 H33 B N2 -","- C94 H66 B2 N4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.1017","0.0571","","","0.1438","0.1672","","","","","","1.036","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026355","11.0225","0.0006","12.7998","0.0007","17.1352","0.001","111.176","0.003","90.737","0.002","98.606","0.003","2223","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Bodipy-pyrene complex","","","- C52.5 H46 B Cl N2 O3 S2 -","- C51 H41 B N2 O2 S2 -","- C102 H82 B2 N4 O4 S4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.1057","0.0763","","","0.2284","0.2515","","","","","","1.102","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026356","11.602","0.003","22.532","0.005","13.602","0.004","90","","118.34","0.02","90","","3129.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 B N2 O2 S2 -","- C35 H37 B N2 O2 S2 -","- C140 H148 B4 N8 O8 S8 -","4","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.0648","0.0493","","","0.1354","0.1464","","","","","","1.044","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026357","11.294","0.004","13.299","0.003","14.735","0.004","101.78","0.02","110.03","0.02","102.17","0.02","1938.4","1.1","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H40.5 B N2.5 -","- C49 H33 B N2 -","- C98 H66 B2 N4 -","2","1","","Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks","Journal of Organic Chemistry","2011","76","","4489","4505","10.1021/jo200246q","","","0.71073","MoKα","","0.0911","0.0649","","","0.1879","0.2","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026358","14.1009","0.0003","12.1784","0.0002","17.5284","0.0004","90","","90","","90","","3010.09","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Br N O -","- C16 H20 Br N O -","- C128 H160 Br8 N8 O8 -","8","1","","Andrew J. Clark; Dennis P. Curran; Joanna V. Geden; Natalie James; Paul Wilson","Bond Rotation Dynamics of Enamides: The Effect of the Acyl Group and Potential for Chirality Transfer during 5-Endo Trig Radical Cyclizations","Journal of Organic Chemistry","2011","76","","4546","4551","10.1021/jo200343z","","","0.71073","MoKα","","0.0606","0.0368","","","0.0909","0.0948","","","","","","1.038","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026359","33.679","0.003","33.679","0.003","13.0553","0.0014","90","","90","","120","","12824","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C29.17 H38.33 Cl0.33 N2 O3 -","- C29.1667 H38 Cl0.333333 N2 O3 -","- C525 H684 Cl6 N36 O54 -","18","1","","Sinan Wang; Lei Zhang; Xiao Ding; Yu Zhou; Jinfang Wang; Hualiang Jiang; Hong Liu","Synthesis of 2-Phenylnaphthalenes through Gold-Catalyzed Dimerization via a Highly Selective Carbon Nucleophile Pathway","Journal of Organic Chemistry","2011","76","","4514","4521","10.1021/jo200352j","","","0.71073","MoKα","","0.1283","0.0637","","","0.1811","0.2101","","","","","","0.837","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026360","14.2022","0.0011","14.2864","0.0009","11.7464","0.0011","90","","90","","90","","2383.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H0 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","","Ojas A. Namjoshi; Angelica Gryboski; German O. Fonseca; Michael L. Van Linn; Zhi-jian Wang; Jeffrey R. Deschamps; James M. Cook","Development of a Two-Step Route to 3-PBC and βCCt, Two Agents Active against Alcohol Self-Administration in Rodent and Primate Models","Journal of Organic Chemistry","2011","76","","4721","4727","10.1021/jo200425m","","","0.71073","MoKα","","0.0846","0.0527","","","0.1103","0.1255","","","","","","1.027","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026361","5.1335","0.0014","10.319","0.003","10.983","0.003","75.541","0.009","84.199","0.01","88.679","0.01","560.5","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C28 H28 N4 O2 -","2","2","","Ojas A. Namjoshi; Angelica Gryboski; German O. Fonseca; Michael L. Van Linn; Zhi-jian Wang; Jeffrey R. Deschamps; James M. Cook","Development of a Two-Step Route to 3-PBC and βCCt, Two Agents Active against Alcohol Self-Administration in Rodent and Primate Models","Journal of Organic Chemistry","2011","76","","4721","4727","10.1021/jo200425m","","","0.71073","MoKα","","0.1124","0.0924","","","0.2292","0.2469","","","","","","1.085","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026362","12.694","0.0001","16.2992","0.0001","8.3872","0.0001","90","","107.456","0.001","90","","1655.41","0.03","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","","Tillmann Kleine; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Cyclization Reactions of 3,4-Diazaheptatrienyl Metal Compounds. Pyridines from an Anionic Analogue of the Fischer Indole Synthesis: Experiment and Theory","Journal of Organic Chemistry","2011","76","","4591","4599","10.1021/jo200487v","","","1.54178","CuKα","","0.0573","0.0468","","","0.1187","0.128","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026363","9.1095","0.0002","12.3586","0.0003","13.9132","0.0003","90","","108.701","0.001","90","","1483.66","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Tillmann Kleine; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Cyclization Reactions of 3,4-Diazaheptatrienyl Metal Compounds. Pyridines from an Anionic Analogue of the Fischer Indole Synthesis: Experiment and Theory","Journal of Organic Chemistry","2011","76","","4591","4599","10.1021/jo200487v","","","0.71073","MoKα","","0.0588","0.0511","","","0.1196","0.1263","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026364","20.497","0.004","10.569","0.002","19.108","0.004","90","","90","","90","","4139.4","1.4","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C208 H184 N8 O16 -","8","2","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0482","0.0418","","","0.1083","0.1179","","","","","","1.053","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026365","9.5724","0.0013","10.2383","0.0015","11.9176","0.0016","101.788","0.002","113.095","0.002","99.135","0.002","1014","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Cl2 N O -","- C25 H19 Cl2 N O -","- C50 H38 Cl4 N2 O2 -","2","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0639","0.046","","","0.1009","0.1101","","","","","","1.046","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026366","29.316","0.011","7.455","0.003","23.171","0.008","90","","103.778","0.003","90","","4918","3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 N6 O8 -","- C58 H58 N6 O8 -","- C232 H232 N24 O32 -","4","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0646","0.0567","","","0.1199","0.1252","","","","","","1.13","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026367","24.184","0.005","12.837","0.003","7.0688","0.0015","90","","92.193","0.004","90","","2192.9","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cl2 N3 O -","- C25 H19 Cl2 N3 O -","- C100 H76 Cl8 N12 O4 -","4","1","","Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng","Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones","Journal of Organic Chemistry","2011","76","","4746","4752","10.1021/jo200499u","","","0.71073","MoKα","","0.0676","0.0533","","","0.1085","0.1169","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026368","5.6912","0.0001","11.144","0.0003","12.9653","0.0004","85.9331","0.0012","84.5582","0.0012","87.1641","0.0016","815.77","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C40 H48 F2 N2 O2 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0816","0.048","","0.083","0.0493","0.046","","","","","","1.1348","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026369","6.5113","0.0001","14.8776","0.0002","35.9265","0.0006","90","","95.0616","0.0006","90","","3466.72","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C160 H192 F8 N8 O8 -","8","2","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0841","0.0457","","0.106","0.0927","0.106","","","","","","0.9597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026370","7.2525","0.0002","10.3974","0.0003","16.8918","0.0006","90","","90","","90","","1273.76","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 F N O -","- C14 H20 F N O -","- C56 H80 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0699","0.0523","","0.1357","0.1286","0.1357","","","","","","0.9633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026371","10.1973","0.0002","8.2488","0.0001","24.7522","0.0005","90","","96.244","0.0006","90","","2069.69","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F N O -","- C25 H28 F N O -","- C100 H112 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0639","0.0437","","0.1135","0.1042","0.1135","","","","","","0.9457","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026372","8.5321","0.0001","15.4179","0.0002","18.4954","0.0003","90","","97.311","0.0007","90","","2413.24","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C108 H116 F4 N8 O16 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0547","0.042","","0.0995","0.0929","0.0995","","","","","","0.9927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026373","8.0438","0.0002","10.6147","0.0002","14.3517","0.0003","79.2464","0.001","84.2125","0.001","87.7064","0.0008","1197.45","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C54 H58 F2 N4 O8 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0447","0.037","","0.0946","0.0898","0.0946","","","","","","0.9809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026374","5.73792","0.00011","7.6761","0.0002","42.7479","0.0009","90","","90.9711","0.0018","90","","1882.55","0.07","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H38 F N O -","- C18 H38 F N O -","- C72 H152 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","1.54184","CuKα","","0.0736","0.0728","","0.0805","0.0792","0.0788","","","","","","0.9582","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026375","7.7469","0.0003","23.8598","0.0007","11.6208","0.0004","90","","92.848","0.003","90","","2145.33","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N2 O4 P -","- C22 H24 Cl N2 O4 P -","- C88 H96 Cl4 N8 O16 P4 -","4","1","","Deepti Verma; Shaikh Mobin; Irishi N. N. Namboothiri","Highly Selective Synthesis of Pyrazole and Spiropyrazoline Phosphonates via Base-Assisted Reaction of the Bestmann-Ohira Reagent with Enones","Journal of Organic Chemistry","2011","76","","4764","4770","10.1021/jo200582z","","","0.71073","MoKα","","0.0524","0.0383","","","0.0951","0.0988","","","","","","0.911","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026376","9.8119","0.0011","10.452","0.0012","11.1999","0.001","89.691","0.008","73.87","0.009","65.588","0.011","996.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl N2 O4 P -","- C20 H20 Cl N2 O4 P -","- C40 H40 Cl2 N4 O8 P2 -","2","1","","Deepti Verma; Shaikh Mobin; Irishi N. N. Namboothiri","Highly Selective Synthesis of Pyrazole and Spiropyrazoline Phosphonates via Base-Assisted Reaction of the Bestmann-Ohira Reagent with Enones","Journal of Organic Chemistry","2011","76","","4764","4770","10.1021/jo200582z","","","0.71073","MoKα","","0.0716","0.0437","","","0.1026","0.1094","","","","","","0.92","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026377","32.1162","0.0006","15.8781","0.0003","10.14064","0.00018","90","","105.405","0.0008","90","","4985.37","0.16","93.1","","93","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 Cl N O4 S -","- C28 H29 Cl N O4 S -","- C224 H232 Cl8 N8 O32 S8 -","8","1","","Ryo Shintani; Keiichi Ikehata; Tamio Hayashi","Synthesis of Nine-Membered Azlactones by Palladium-Catalyzed Ring-Expansion of γ-Methylidene-δ-valerolactones with Aziridines","Journal of Organic Chemistry","2011","76","","4776","4780","10.1021/jo2006158","","","1.54187","CuKα","","","0.0483","","","","0.0616","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026378","11.214","0.0005","11.4761","0.0006","9.396","0.0005","90","","90","","90","","1209.2","0.11","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.1099","0.0959","","","0.1798","0.1896","","","","","","1.142","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026379","13.683","0.001","13.855","0.001","21.7621","0.0009","90","","102.485","0.006","90","","4028.1","0.5","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H53 Cu2 N6 O10 -","- C30 H43 Cu2 N6 O9 -","- C120 H172 Cu8 N24 O36 -","4","2","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0702","0.0549","","","0.1225","0.1322","","","","","","1.09","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026380","7.392","0.0003","17.8921","0.0013","8.029","0.0008","90","","101.047","0.005","90","","1042.23","0.14","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 Cu N3 O7 -","- C17 H29 Cu N3 O7 -","- C34 H58 Cu2 N6 O14 -","2","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0624","0.0536","","","0.1321","0.1415","","","","","","1.051","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026381","6.914","0.0003","7.7171","0.0005","9.616","0.0003","89.63","0.004","71.921","0.003","87.634","0.004","487.31","0.04","150","1","150","1","","","","","","","","5","P 1","P 1","1","","","","- C16 H25 Cu N3 O6 -","- C16 H25 Cu N3 O6 -","- C16 H25 Cu N3 O6 -","1","1","","Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák","Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands","Journal of Organic Chemistry","2011","76","","4787","4793","10.1021/jo200703j","","","0.71073","MoKα","","0.0282","0.0279","","","0.0706","0.071","","","","","","1.086","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026382","8.8137","0.0003","14.3997","0.0004","11.5592","0.0004","90","","102.084","0.002","90","","1434.52","0.08","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","15a","","","- C28 H36 N2 O7 S -","- C28 H36 N2 O7 S -","- C56 H72 N4 O14 S2 -","2","1","","Ilker Avan; Srinivasa R. Tala; Peter J. Steel; Alan R. Katritzky","Benzotriazole-Mediated Syntheses of Depsipeptides and Oligoesters","Journal of Organic Chemistry","2011","76","","4884","4893","10.1021/jo200174j","","","0.71073","MoKα","","0.0722","0.0648","","","0.1565","0.1624","","","","","","1.068","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026383","15.8008","0.0011","15.8008","0.0011","16.9668","0.001","90","","90","","90","","4236","0.5","103","2","103","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Cl2 Fe N4 -","- C20 H20 Cl2 Fe N4 -","- C160 H160 Cl16 Fe8 N32 -","8","0.25","","Thi My Uyen Ton; Ciputra Tejo; Stefani Tania; Joyce Wei Wei Chang; Philip Wai Hong Chan","Iron(II)-Catalyzed Amidation of Aldehydes with Iminoiodinanes at Room Temperature and under Microwave-Assisted Conditions","Journal of Organic Chemistry","2011","76","","4894","4904","10.1021/jo200284a","","","0.71073","MoKα","","0.1369","0.1241","","","0.2367","0.2426","","","","","","1.333","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026384","5.8079","0.0002","12.9919","0.0011","14.7368","0.0009","112.916","0.007","99.112","0.004","95.001","0.005","997.65","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N4 O3 -","- C23 H21 N4 O3 -","- C46 H42 N8 O6 -","2","1","","Jason C. Morris; John C. McMurtrie; Steven E. Bottle; Kathryn E. Fairfull-Smith","Generation of Profluorescent Isoindoline Nitroxides Using Click Chemistry","Journal of Organic Chemistry","2011","76","","4964","4972","10.1021/jo200613r","","","0.71073","MoKα","","0.0624","0.0364","","","0.0667","0.0695","","","","","","1.032","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026385","5.1178","0.0002","23.1935","0.0006","15.3254","0.0005","90","","99.668","0.003","90","","1793.28","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 S -","- C21 H17 N O3 S -","- C84 H68 N4 O12 S4 -","4","1","","Ming Yu; Zunjun Liang; Yongyong Wang; Yuhong Zhang","Palladium(II)-Catalyzed Direct Alkenylation and Arylation of Arenes: Removable 2-Pyridylsulfinyl Group Assisted C-H Bond Activation","Journal of Organic Chemistry","2011","76","","4987","4994","10.1021/jo200666z","","","1.54184","CuKα","","0.062","0.0445","","","0.1133","0.1278","","","","","","1.02","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026386","13.21","0.02","13.85","0.02","15.11","0.02","96.8","0.03","91.23","0.03","113.75","0.04","2505","6","120.1","","120.1","","","","","","","","","4","P -1","-P 1","2","","","","- C26.5 H36.5 N O5 -","- C26.5 H36.5 N O5 -","- C106 H146 N4 O20 -","4","2","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.067","","","","0.188","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026387","10.113","0.012","18","0.04","11.76","0.02","90","","92.005","0.011","90","","2139","7","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.048","","","","0.14","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026388","12.39","0.01","14.866","0.009","13.148","0.008","90","","109.19","0.008","90","","2287","3","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N O5 -","- C25 H33 N O5 -","- C100 H132 N4 O20 -","4","1","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.067","","","","0.194","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026389","12.29","0.02","14.844","0.011","13","0.02","90","","112.15","0.02","90","","2197","5","120.1","","120.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Masakatsu Matsumoto; Haruna Suzuki; Nobuko Watanabe; Hisako K. Ijuin; Jiro Tanaka; Chizuko Tanaka","Crucial Dependence of Chemiluminescence Efficiency on the Syn/AntiConformation for Intramolecular Charge-Transfer-Induced Decomposition of Bicyclic Dioxetanes Bearing an Oxidoaryl Group","Journal of Organic Chemistry","2011","76","","5006","5017","10.1021/jo2006945","","","0.7107","MoKα","","","0.046","","","","0.106","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026390","28.461","0.007","5.0778","0.0012","20.983","0.005","90","","98.344","0.004","90","","3000.3","1.2","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,12-bis(methylthio)tetracene","","- C20 H16 S2 -","- C20 H16 S2 -","- C160 H128 S16 -","8","1","","Takakazu Kimoto; Kenro Tanaka; Masatoshi Kawahata; Kentaro Yamaguchi; Saika Otsubo; Yoshimasa Sakai; Yuuki Ono; Akira Ohno; Kenji Kobayashi","Bis(methylthio)tetracenes: Synthesis, Crystal-Packing Structures, and OFET Properties","Journal of Organic Chemistry","2011","76","","5018","5025","10.1021/jo200696a","","","0.71073","MoKα","","0.0764","0.0477","","","0.1109","0.1318","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026391","8.7111","0.0017","8.7795","0.0017","19.621","0.004","90","","90","","90","","1500.6","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,11-bis(methylthio)tetracene","","- C20 H16 S2 -","- C20 H16 S2 -","- C80 H64 S8 -","4","0.5","","Takakazu Kimoto; Kenro Tanaka; Masatoshi Kawahata; Kentaro Yamaguchi; Saika Otsubo; Yoshimasa Sakai; Yuuki Ono; Akira Ohno; Kenji Kobayashi","Bis(methylthio)tetracenes: Synthesis, Crystal-Packing Structures, and OFET Properties","Journal of Organic Chemistry","2011","76","","5018","5025","10.1021/jo200696a","","","0.71073","MoKα","","0.0518","0.0428","","","0.1186","0.1247","","","","","","1.113","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026392","9.8714","0.0005","10.7521","0.0005","22.9002","0.0011","90","","90","","90","","2430.6","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br F3 N O2 Si -","- C22 H31 Br F3 N O2 Si -","- C88 H124 Br4 F12 N4 O8 Si4 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0719","0.0456","","","0.1236","0.1444","","","","","","1.04","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026393","4.6758","0.0001","9.7426","0.0002","31.543","0.0006","90","","90","","90","","1436.92","0.05","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F3 N O2 -","- C16 H16 F3 N O2 -","- C64 H64 F12 N4 O8 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0441","0.0382","","","0.0982","0.1017","","","","","","1.079","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026394","8.6101","0.0003","11.18","0.0005","13.0969","0.0006","90","","90","","90","","1260.72","0.09","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0438","0.0366","","","0.0972","0.109","","","","","","1.111","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026395","8.5162","0.0003","16.3427","0.0006","17.5249","0.0005","90","","90","","90","","2439.08","0.14","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0519","0.0434","","","0.1113","0.1176","","","","","","0.946","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026396","29.779","0.003","12.9861","0.0015","8.9843","0.001","90","","92.459","0.002","90","","3471.1","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 N O7 S2 -","- C34 H37 N O6 S2 -","- C136 H148 N4 O24 S8 -","4","1","","Virginia M. Mastranzo; Francisco Yuste; Benjamín Ortiz; Rubén Sánchez-Obregón; Rubén A. Toscano; José L. García Ruano","Asymmetric Synthesis of (S)-(-)-Xylopinine. Use of the Sulfinyl Group as an Ipso Director in Aromatic SE","Journal of Organic Chemistry","2011","76","","5036","5041","10.1021/jo2007237","","","0.71073","MoKα","","0.0369","0.0357","","","0.0875","0.0882","","","","","","1.066","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026397","7.63","0.002","11.254","0.003","12.992","0.004","104.415","0.005","104.272","0.005","99.48","0.005","1016.3","0.5","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 N4 O S -","- C21 H18 Br2 N4 O S -","- C42 H36 Br4 N8 O2 S2 -","2","1","","Ken S. Feldman; Ahmed Yimam Nuriye; Jianfeng Li","Extending Pummerer Reaction Chemistry: Studies in the Palau'amine Synthesis Area","Journal of Organic Chemistry","2011","76","","5042","5060","10.1021/jo200740b","","","0.71073","MoKα","","0.0911","0.0707","","","0.1605","0.172","","","","","","1.041","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026398","8.838","0.002","12.387","0.003","13.856","0.004","93.905","0.004","98.513","0.004","103.071","0.004","1453.2","0.6","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","4,5-Dibromo-1H-pyrrole-2-carboxylic acid {2-[2-phenylsulfanyl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl] -cyclopentylmethyl}-amide","","- C26 H34 Br2 N4 O2 S Si -","- C26 H34 Br2 N4 O2 S Si -","- C52 H68 Br4 N8 O4 S2 Si2 -","2","1","","Ken S. Feldman; Ahmed Yimam Nuriye; Jianfeng Li","Extending Pummerer Reaction Chemistry: Studies in the Palau'amine Synthesis Area","Journal of Organic Chemistry","2011","76","","5042","5060","10.1021/jo200740b","","","0.71073","MoKα","","0.0442","0.0378","","","0.104","0.1078","","","","","","1.037","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026399","8.8595","0.0006","5.7645","0.0003","15.8715","0.0011","90","","103.206","0.007","90","","789.13","0.09","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0516","0.0415","","","0.0975","0.1019","","","","","","1.016","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026400","15.9869","0.0004","5.47925","0.00014","19.1891","0.0005","90","","103.603","0.003","90","","1633.74","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl O4 -","- C16 H23 Cl O4 -","- C64 H92 Cl4 O16 -","4","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0406","0.032","","","0.0762","0.0799","","","","","","1.039","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026401","7.8322","0.0002","11.278","0.0003","11.6378","0.0003","90","","98.353","0.002","90","","1017.08","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C44 H44 Cl4 O12 -","4","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0387","0.0303","","","0.0752","0.0791","","","","","","1.046","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026402","5.9601","0.0003","9.2461","0.0004","12.9839","0.0005","78.931","0.004","84.067","0.003","88.465","0.003","698.42","0.05","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.0596","0.0395","","","0.0903","0.0967","","","","","","1.029","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026403","11.1507","0.0003","5.88417","0.00015","27.9019","0.0008","90","","97.71","0.003","90","","1814.17","0.09","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Cl3 N O4 -","- C17 H20 Cl3 N O4 -","- C68 H80 Cl12 N4 O16 -","4","1","","Christopher P. Hencken; Douglas T. Genna; Maxime A. Siegler; Gary H. Posner","Highly Stereocontrolled and Regiocontrolled Syntheses of 2,3,4-Trisubstituted Alkanoates and Lactones","Journal of Organic Chemistry","2011","76","","5149","5155","10.1021/jo200795f","","","0.71073","MoKα","","0.057","0.0427","","","0.0878","0.0937","","","","","","1.084","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026404","9.31754","0.00017","11.0378","0.0002","24.8795","0.0005","90","","91.28","0.0007","90","","2558.1","0.08","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl N O3 S -","- C12 H12 Cl N O3 S -","- C96 H96 Cl8 N8 O24 S8 -","8","2","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0468","","","","0.1304","","","","","","1.227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026405","8.67779","0.00016","12.6373","0.0002","17.1203","0.0003","90","","90","","90","","1877.48","0.06","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N3 O2 -","- C20 H22 Cl N3 O2 -","- C80 H88 Cl4 N12 O8 -","4","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0471","","","","0.1054","","","","","","0.648","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026406","8.18197","0.00015","8.69418","0.00016","26.3682","0.0005","90","","90","","90","","1875.72","0.06","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N3 O2 -","- C20 H22 Cl N3 O2 -","- C80 H88 Cl4 N12 O8 -","4","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0286","","","","0.066","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026407","8.3785","0.0004","12.3205","0.0004","8.555","0.0003","90","","90.842","0.003","90","","883.01","0.06","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl N2 O2 S -","- C19 H19 Cl N2 O2 S -","- C38 H38 Cl2 N4 O4 S2 -","2","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0385","","","","0.0906","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026408","18.7066","0.0013","9.9463","0.0007","19.1165","0.0013","90","","111.796","0.001","90","","3302.6","0.4","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Mo O4 P2 -","- C36 H30 Cl2 Mo O4 P2 -","- C144 H120 Cl8 Mo4 O16 P8 -","4","1","","Hanit Marom; Svetlana Antonov; Yanay Popowski; Michael Gozin","Selective Sulfoxidation of Thioethers and Thioaryl Boranes with Nitrate, Promoted by a Molybdenum-Copper Catalytic System","Journal of Organic Chemistry","2011","76","","5240","5246","10.1021/jo2001808","","","0.71073","MoKα","","0.0334","0.0316","","","0.0826","0.0837","","","","","","1.098","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026409","10.2048","0.0015","10.4242","0.0016","12.0507","0.0018","76.208","0.003","72.247","0.003","89.803","0.003","1182.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H24 O -","- C33 H24 O -","- C66 H48 O2 -","2","1","","Yifeng Chen; Yuanhong Liu","Gold-Catalyzed Approach to Multisubstituted Fulvenes via Cycloisomerization of Furan/Ynes","Journal of Organic Chemistry","2011","76","","5274","5282","10.1021/jo2004023","","","0.71073","MoKα","","0.0895","0.0546","","","0.1227","0.1378","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026410","13.252","0.004","8.312","0.003","16.889","0.005","90","","105.957","0.004","90","","1788.7","1","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","","Takayoshi Arai; Atsuko Awata; Makiko Wasai; Naota Yokoyama; Hyuma Masu","Catalytic Asymmetric Friedel-Crafts/Protonation of Nitroalkenes and N-Heteroaromatics","Journal of Organic Chemistry","2011","76","","5450","5456","10.1021/jo200546a","","","0.71073","MoKα","","0.0606","0.049","","","0.1253","0.136","","","","","","1.084","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026411","9.8572","0.0008","23.3339","0.0018","5.9374","0.0005","90","","90","","90","","1365.64","0.19","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Takayoshi Arai; Atsuko Awata; Makiko Wasai; Naota Yokoyama; Hyuma Masu","Catalytic Asymmetric Friedel-Crafts/Protonation of Nitroalkenes and N-Heteroaromatics","Journal of Organic Chemistry","2011","76","","5450","5456","10.1021/jo200546a","","","0.71073","MoKα","","0.0329","0.0316","","","0.0852","0.0864","","","","","","1.079","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026412","6.292","0.0003","17.3537","0.0009","14.9263","0.0007","90","","91.041","0.002","90","","1629.53","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 -","- C20 H15 Cl N2 -","- C80 H60 Cl4 N8 -","4","1","","Murali Mohan Guru; Md Ashif Ali; Tharmalingam Punniyamurthy","Copper-Mediated Synthesis of Substituted 2-Aryl-N-benzylbenzimidazoles and 2-Arylbenzoxazoles via C-H Functionalization/C-N/C-O Bond Formation","Journal of Organic Chemistry","2011","76","","5295","5308","10.1021/jo2005632","","","0.71073","MoKα","","0.0589","0.0413","","","0.1218","0.1309","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026413","11.628","0.003","16.214","0.004","16.79","0.004","90.054","0.012","108.304","0.012","98.224","0.012","2970.9","1.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H69 B3 F6 N6 O2 -","- C65 H69 B3 F6 N6 O2 -","- C130 H138 B6 F12 N12 O4 -","2","1","","Cliferson Thivierge; Junyan Han; Roxanne M. Jenkins; Kevin Burgess","Fluorescent Proton Sensors Based on Energy Transfer","Journal of Organic Chemistry","2011","76","","5219","5228","10.1021/jo2005654","","","1.54178","CuKα","","0.3493","0.0839","","","0.1357","0.2474","","","","","","1.068","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4026414","7.064","0.007","8.268","0.003","11.578","0.005","75.57","0.03","78.55","0.06","87.06","0.06","641.8","0.7","123","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C7 H6 O S -","- C7 H5.5 O S -","- C28 H22 O4 S4 -","4","2","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","0.71073","MoKα","","","0.06","","","0.061","","","","","1.231","1.231","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026415","13.169","0.009","7.432","0.002","14.718","0.009","90","","90","","90","","1440.5","1.4","123","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O S -","- C8 H8 O S -","- C64 H64 O8 S8 -","8","1","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","1.54184","CuKα","","","0.073","","","0.077","","","","","2.026","2.026","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026416","8.186","0.006","8.136","0.005","11.66","0.005","90","","109.45","0.05","90","","732.3","0.8","123","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O S -","- C8 H8 O S -","- C32 H32 O4 S4 -","4","1","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","1.54184","CuKα","","","0.054","","","0.067","","","","","2.005","2.005","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026417","9.0201","0.0005","9.6539","0.0006","9.7094","0.0006","90","","115.065","0.001","90","","765.86","0.08","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 O S -","- C20 H18 O S -","- C40 H36 O2 S2 -","2","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0302","0.0296","","","0.076","0.0765","","","","","","1.054","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026418","11.981","0.0009","11.8519","0.001","11.4924","0.0009","90","","101.079","0.002","90","","1601.5","0.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0509","0.0396","","","0.0841","0.0886","","","","","","1.044","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026419","9.503","0.002","20.788","0.004","9.877","0.002","90","","116.184","0.004","90","","1751","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0713","0.054","","","0.1699","0.1798","","","","","","1.182","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026420","8.2352","0.001","10.6341","0.0013","17.786","0.002","90","","94.111","0.002","90","","1553.6","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Benjamin E. Moulton; Adrian C. Whitwood; Anne K. Duhme-Klair; Jason M. Lynam; Ian J. S. Fairlamb","Regiochemistry in Cobalt-Mediated Intermolecular Pauson-Khand Reactions of Unsymmetrical Internal Heteroaromatic Alkynes with Norbornene","Journal of Organic Chemistry","2011","76","","5320","5334","10.1021/jo200664m","","","0.71073","MoKα","","0.0676","0.042","","","0.0953","0.1066","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026421","13.344","0.002","16.574","0.003","15.857","0.002","90","","95.496","0.002","90","","3490.9","0.9","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H55 N2 O6 P S -","- C32 H55 N2 O6 P S -","- C128 H220 N8 O24 P4 S4 -","4","1","","Takehiro Yamagishi; Naoko Tashiro; Tsutomu Yokomatsu","Diastereoselective Synthesis of the Leu-Pro Type Phosphinyl Dipeptide Isostere","Journal of Organic Chemistry","2011","76","","5472","5476","10.1021/jo200669r","","","0.71073","MoKα","","0.052","0.04","","","0.1002","0.1077","","","","","","1.03","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026422","10.9707","0.0009","11.573","0.001","14.9262","0.0012","110.424","0.001","98.32","0.001","109.328","0.001","1601.7","0.2","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 N O6 P S -","- C30 H52 N O6 P S -","- C60 H104 N2 O12 P2 S2 -","2","1","","Takehiro Yamagishi; Naoko Tashiro; Tsutomu Yokomatsu","Diastereoselective Synthesis of the Leu-Pro Type Phosphinyl Dipeptide Isostere","Journal of Organic Chemistry","2011","76","","5472","5476","10.1021/jo200669r","","","0.71073","MoKα","","0.0591","0.0403","","","0.0935","0.1011","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026423","19.4783","0.0016","5.5238","0.0005","20.4967","0.0016","90","","111.076","0.001","90","","2057.8","0.3","213","2","213","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","9-methylphenanthrene","","","- C15 H12 -","- C15 H12 -","- C120 H96 -","8","2","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0722","0.0667","","","0.135","0.1375","","","","","","1.34","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026424","13.5583","0.0012","4.8269","0.0004","17.3642","0.0015","90","","105.136","0.002","90","","1096.97","0.16","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","3,9-dimethylphenanthrene","","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0773","0.0541","","","0.1428","0.155","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026425","7.3229","0.0018","6.0225","0.0015","19.985","0.005","90","","90","","90","","881.4","0.4","143","1","143","1","","","","","","","","2","P b c a","-P 2ac 2ab","61","2,6-dimethylnaphthalene","","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","0.5","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0495","0.0385","","","0.1026","0.1106","","","","","","1.059","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026426","9.301","0.004","18.549","0.009","6.56","0.003","90","","90","","90","","1131.8","0.9","213","2","213","2","","","","","","","","2","P n a 21","P 2c -2n","33","","1,9-dimethylphenanthrene","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.046","0.0394","","","0.0983","0.1021","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026427","11.5823","0.0005","10.0172","0.0005","14.9684","0.0005","90","","99.262","0.004","90","","1714.03","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Fengtao Zhou; Jianguang Liu; Ke Ding; Jinsong Liu; Qian Cai","Copper-Catalyzed Tandem Reaction of Isocyanides with N-(2-Haloaryl)propiolamides for the Synthesis of Pyrrolo[3,2-c]quinolin-4-ones","Journal of Organic Chemistry","2011","76","","5346","5353","10.1021/jo2006939","","","0.71073","MoKα","","0.0844","0.0571","","","0.1428","0.1704","","","","","","1.034","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026428","6.418","0.0002","17.9496","0.0004","40.0556","0.001","90","","90","","90","","4614.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl3 N O4 -","- C22 H24 Cl3 N O4 -","- C176 H192 Cl24 N8 O32 -","8","2","","Paolo Tosatti; Amanda J. Campbell; David House; Adam Nelson; Stephen P. Marsden","Catalyst Control in Sequential Asymmetric Allylic Substitution: Stereodivergent Access to N,N-Diprotected Unnatural Amino Acids","Journal of Organic Chemistry","2011","76","","5495","5501","10.1021/jo200720c","","","0.71073","MoKα","","0.056","0.0431","","","0.0957","0.1019","","","","","","1.052","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026429","4.7721","0.001","8.0365","0.0016","31.58","0.006","90","","90","","90","","1211.1","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2'R,4'S,5'S)-9-(4-hydroxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-yl) adenine","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C48 H52 N20 O8 -","4","1","","Ramon Flores; Albert Rustullet; Ramon Alibés; Angel Álvarez-Larena; Pedro de March; Marta Figueredo; Josep Font","Synthesis of Purine Nucleosides Built on a 3-Oxabicyclo[3.2.0]heptane Scaffold","Journal of Organic Chemistry","2011","76","","5369","5383","10.1021/jo200775x","","","0.71073","MoKα","","0.1211","0.0603","","","0.1278","0.15","","","","","","1.015","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026430","10.2887","0.0006","10.5055","0.0006","11.3704","0.0006","90","","90","","90","","1229","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1'S,2'S,4'S,5'R)-9-(1'-fluoro-4'-hydroxymethyl-3'-oxabicyclo[3.2.0] hept-2-yl)-9H-hypoxanthine","","- C12 H13 F N4 O3 -","- C12 H13 F N4 O3 -","- C48 H52 F4 N16 O12 -","4","1","","Ramon Flores; Albert Rustullet; Ramon Alibés; Angel Álvarez-Larena; Pedro de March; Marta Figueredo; Josep Font","Synthesis of Purine Nucleosides Built on a 3-Oxabicyclo[3.2.0]heptane Scaffold","Journal of Organic Chemistry","2011","76","","5369","5383","10.1021/jo200775x","","","0.71073","MoKα","","0.036","0.0335","","","0.0884","0.0907","","","","","","1.019","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026431","12.4719","0.0007","11.9181","0.0009","15.2769","0.001","90","","94.271","0.007","90","","2264.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0784","0.0336","","","0.0674","0.0748","","","","","","0.771","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026432","8.6754","0.0006","18.9368","0.0012","12.4873","0.0009","90","","98.82","0.008","90","","2027.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0606","0.0298","","","0.0598","0.065","","","","","","0.818","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026433","13.3684","0.0006","15.8505","0.0008","32.327","0.0019","90","","90.052","0.004","90","","6850","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Br2 N2 O -","- C28 H18 Br2 N2 O -","- C336 H216 Br24 N24 O12 -","12","3","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.1701","0.0804","","","0.1647","0.2016","","","","","","0.91","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026434","8.7677","0.0006","9.8535","0.0008","13.3542","0.0011","94.163","0.007","100.662","0.006","103.469","0.006","1094.49","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H22 N2 O0.5 -","- C28 H20 N2 O -","- C56 H40 N4 O2 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0845","0.0474","","","0.0959","0.1062","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026435","9.0496","0.0009","10.2588","0.0011","13.4558","0.0014","91.748","0.008","97.676","0.008","107.654","0.008","1176.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.9 H26.1 N2 O1.15 -","- C29.9 H25.6 N2 O0.9 -","- C59.8 H51.2 N4 O1.8 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.1565","0.078","","","0.1577","0.1861","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026436","9.0578","0.0007","10.9639","0.0011","12.37","0.001","100.617","0.008","92.289","0.006","113.747","0.006","1096.26","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O3 -","- C28 H22 N2 O3 -","- C56 H44 N4 O6 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Petr P. Petrovskii; Helen Stoeckli-Evans","An Aza Cyclopropylcarbinyl-Homoallyl Radical Rearrangement-Radical Cyclization Cascade. Synthesis of Dibenzoimidazoazepine and Oxazepine Derivatives","Journal of Organic Chemistry","2011","76","","5384","5391","10.1021/jo200788k","","","0.71073","MoKα","","0.0533","0.0377","","","0.0844","0.0893","","","","","","1.032","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026437","17.2776","0.0016","20.3298","0.0017","21.131","0.0019","63.514","0.004","76.354","0.004","73.522","0.004","6318.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H33 N4 O10 S4 Zn -","- C25 H33 N4 O10 S4 Zn -","- C200 H264 N32 O80 S32 Zn8 -","8","4","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.2365","0.0617","","","0.1497","0.2325","","","","","","0.977","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026438","8.7923","0.0009","20.225","0.0022","14.3873","0.0014","90","","106.642","0.007","90","","2451.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Br4 N8 O8 Zn2 -","- C46 H46 Br4 N8 O8 Zn2 -","- C92 H92 Br8 N16 O16 Zn4 -","2","0.5","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0893","0.0439","","","0.0941","0.1103","","","","","","1.013","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026439","8.7282","0.0006","20.3213","0.0015","14.6464","0.0011","90","","107.049","0.002","90","","2483.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H46 Br2 N10 O12 Zn2 -","- C46 H46 Br2 N10 O12 Zn2 -","- C92 H92 Br4 N20 O24 Zn4 -","2","1","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0758","0.0482","","","0.1074","0.1168","","","","","","1.031","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026440","29.0659","0.0014","13.3859","0.0006","22.1372","0.001","90","","106.56","0.002","90","","8255.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H91 N23 O31 Zn2 -","- C67 H91 N23 O31 Zn2 -","- C268 H364 N92 O124 Zn8 -","4","0.5","","Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Giovanni Salassa; Jordi Benet-Buchholz; Arjan W. Kleij","A Short Desymmetrization Protocol for the Coordination Environment in Bis-salphen Scaffolds","Journal of Organic Chemistry","2011","76","","5404","5412","10.1021/jo2008065","","","0.71073","MoKα","","0.0677","0.0504","","","0.1359","0.148","","","","","","1.021","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"4026441","8.236","0.003","16.744","0.006","17.667","0.007","109.518","0.012","101.221","0.013","95.073","0.012","2221.2","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 B F2 N2 O2 -","- C27 H25 B F2 N2 O2 -","- C108 H100 B4 F8 N8 O8 -","4","2","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.1312","0.0624","","","0.1527","0.1881","","","","","","0.98","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026442","24.8973","0.0006","11.438","0.0002","9.8194","0.0002","90","","92.5677","0.0014","90","","2793.52","0.1","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 B F6 N2 O4 -","- C31 H29 B F6 N2 O4 -","- C124 H116 B4 F24 N8 O16 -","4","0.5","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","1.54187","CuKa","","0.0478","0.0389","","","0.0963","0.103","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026443","16.897","0.003","23.457","0.002","21.571","0.002","90","","113.294","0.005","90","","7852.8","1.7","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H53 B Cl2 F2 N3 O2.26 -","- C40 H53 B Cl2 F2 N3 O2.2625 -","- C320 H424 B8 Cl16 F16 N24 O18.1 -","8","4","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0851","0.0597","","","0.1451","0.1573","","","","","","1.041","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026444","12.052","0.004","12.904","0.006","13.351","0.004","79.952","0.016","86.514","0.015","66.794","0.015","1879","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H49 B Cl F6 N3 O2 -","- C39 H49 B Cl F6 N3 O2 -","- C78 H98 B2 Cl2 F12 N6 O4 -","2","1","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0466","0.0363","","","0.1067","0.114","","","","","","1.073","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026445","8.626","0.002","9.917","0.004","28.029","0.008","96.182","0.013","91.135","0.012","112.602","0.013","2195.8","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H62 B F6 N3 O3 -","- C45 H62 B F6 N3 O3 -","- C90 H124 B2 F12 N6 O6 -","2","1","","Yohei Haketa; Shohei Sakamoto; Kengo Chigusa; Takashi Nakanishi; Hiromitsu Maeda","Synthesis, Crystal Structures, and Supramolecular Assemblies of Pyrrole-Based Anion Receptors Bearing Modified Pyrrole β-Substituents","Journal of Organic Chemistry","2011","76","","5177","5184","10.1021/jo2008687","","","0.71075","MoK?","","0.0699","0.0479","","","0.1508","0.1693","","","","","","1.038","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026446","11.8959","0.0007","7.2879","0.0003","22.7295","0.0018","90","","91.218","0.004","90","","1970.1","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Nugzar Ghavtadze; Rishikesh Narayan; Birgit Wibbeling; Ernst-Ulrich Würthwein","3-(Hetero)aryl-4-indolylamino-α-tetralones by Diastereoselective Internal Redox Cyclization: An ""Azaenamine"" Conjugate Addition","Journal of Organic Chemistry","2011","76","","5185","5197","10.1021/jo200896y","","","1.54178","CuKα","","0.0626","0.0451","","","0.1097","0.1234","","","","","","1.055","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026447","6.0519","0.0002","10.2844","0.0008","16.941","0.0008","74.927","0.005","88.001","0.004","77.262","0.005","992.79","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C48 H38 Cl2 N4 O2 -","2","1","","Nugzar Ghavtadze; Rishikesh Narayan; Birgit Wibbeling; Ernst-Ulrich Würthwein","3-(Hetero)aryl-4-indolylamino-α-tetralones by Diastereoselective Internal Redox Cyclization: An ""Azaenamine"" Conjugate Addition","Journal of Organic Chemistry","2011","76","","5185","5197","10.1021/jo200896y","","","1.54178","CuKα","","0.0788","0.0714","","","0.1862","0.1945","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026448","7.2408","0.0001","8.3225","0.0001","34.4966","0.0005","90","","90","","90","","2078.82","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Seb Caille; Rich Crockett; Krishnakumar Ranganathan; Xiang Wang; Jacqueline C. S. Woo; Shawn D. Walker","Catalytic Asymmetric Synthesis of a Tertiary Benzylic Carbon Center via Phenol-Directed Alkene Hydrogenation","Journal of Organic Chemistry","2011","76","","5198","5206","10.1021/jo200941r","","x-ray","1.54178","CuKα","","0.042","0.0386","","","0.0988","0.1017","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026449","7.049","0.0003","10.2248","0.0004","17.554","0.0007","96.555","0.001","100.854","0.001","98.834","0.001","1214.41","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 Cl O7 -","- C28 H27 Cl O7 -","- C56 H54 Cl2 O14 -","2","1","","Jingjing Ji; Xia Zhang; Yingguang Zhu; Yu Qian; Jing Zhou; Liping Yang; Wenhao Hu","Diastereoselectivity Switch in Cooperatively Catalyzed Three-Component Reactions of an Aryldiazoacetate, an Alcohol, and a β,γ-Unsaturated α-Keto Ester","Journal of Organic Chemistry","2011","76","","5821","5824","10.1021/jo102423c","","","0.71073","MoKα","","0.0339","0.0314","","","0.0811","0.0831","","","","","","1.053","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026450","19.0626","0.0017","9.812","0.0009","22.219","0.002","90","","112.814","0.002","90","","3830.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H32.5 Br N4.5 O5 Se -","- C39 H32.5 Br N4.5 O5 Se -","- C156 H130 Br4 N18 O20 Se4 -","4","1","","Jianfeng Xu; Luling Wu; Xian Huang","Unexpected Formation of (E)-4-Alkene 1,3-Diketones from the Three-Component Reaction of Lithium Selenolates with 1-(1-Alkynyl)cyclopropyl Ketones and Aldehydes","Journal of Organic Chemistry","2011","76","","5598","5605","10.1021/jo2005439","","","0.71073","MoKα","","0.1282","0.0568","","","0.1689","0.1895","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026451","10.3903","0.0013","18.681","0.002","23.4","0.003","90","","90","","90","","4542","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl O4 -","- C27 H23 Cl O4 -","- C216 H184 Cl8 O32 -","8","2","","Cong Liu; Bo-Xuan Tan; Jia-Lu Jin; Yue-Yan Zhang; Nan Dong; Xin Li; Jin-Pei Cheng","Chiral Biscinchona Alkaloid Promoted Asymmetric Allylic Alkylation of 3-Substituted Benzofuran-2(3H)-ones with Morita-Baylis-Hillman Carbonates","Journal of Organic Chemistry","2011","76","","5838","5845","10.1021/jo200557b","","","0.71075","MoKα","","0.0391","0.0352","","","0.0722","0.0738","","","","","","1.033","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026452","13.231","0.005","13.802","0.006","15.921","0.007","90","","108.532","0.008","90","","2757","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 N3 Pd -","- C36 H35 N3 Pd -","- C144 H140 N12 Pd4 -","4","1","","Timothy D. Lash; Alexandra M. Young; Jane M. Rasmussen; Gregory M. Ferrence","Naphthiporphyrins","Journal of Organic Chemistry","2011","76","","5636","5651","10.1021/jo200622s","","x-ray","0.71073","MoKα","","0.0562","0.0475","","","","0.1305","","","","","","1.044","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026453","18.41","0.05","8.05","0.02","21.55","0.06","90","","103.39","0.03","90","","3107","14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl N -","- C20 H16 Cl N -","- C160 H128 Cl8 N8 -","8","1","","Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu","Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles","Journal of Organic Chemistry","2011","76","","5661","5669","10.1021/jo200630x","","","0.71073","MoKα","","0.1477","0.0648","","","0.1031","0.1233","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026454","15.161","0.008","4.746","0.002","20.732","0.01","90","","108.051","0.007","90","","1418.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N -","- C19 H14 Cl N -","- C76 H56 Cl4 N4 -","4","1","","Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu","Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles","Journal of Organic Chemistry","2011","76","","5661","5669","10.1021/jo200630x","","","0.71073","MoKα","","0.1413","0.0542","","","0.1038","0.1361","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026455","9.216","0.004","12.671","0.005","12.559","0.005","90","","103.675","0.008","90","","1425","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H3.5 Br N -","- C19 H14 Br N -","- C76 H56 Br4 N4 -","4","1","","Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu","Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles","Journal of Organic Chemistry","2011","76","","5661","5669","10.1021/jo200630x","","","0.71073","MoKα","","0.0699","0.039","","","0.0907","0.1043","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026456","9.4359","0.0008","9.7924","0.0008","9.9841","0.0008","110.441","0.008","114.906","0.008","93.239","0.007","761.22","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","quinoline","Pyrroloquinoline","","- C19 H14 I N -","- C19 H14 I N -","- C38 H28 I2 N2 -","2","1","","Akhilesh Kumar Verma; Satya Prakash Shukla; Jaspal Singh; Vineeta Rustagi","Synthesis of 5-Iodopyrrolo[1,2-a]quinolines and Indolo[1,2-a]quinolines via Iodine-Mediated Electrophilic and Regioselective 6-endo-dig Ring Closure","Journal of Organic Chemistry","2011","76","","5670","5684","10.1021/jo200638k","","","0.71073","MoKα","","0.038","0.0353","","","0.0913","0.0928","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026457","10.733","0.005","11.104","0.005","18.129","0.005","89.215","0.005","81.7","0.005","61.836","0.005","1881.2","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","HETROCYCLIC","INDOLOQUINOLINE","","- C24 H18 I N O -","- C24 H18 I N O -","- C96 H72 I4 N4 O4 -","4","2","","Akhilesh Kumar Verma; Satya Prakash Shukla; Jaspal Singh; Vineeta Rustagi","Synthesis of 5-Iodopyrrolo[1,2-a]quinolines and Indolo[1,2-a]quinolines via Iodine-Mediated Electrophilic and Regioselective 6-endo-dig Ring Closure","Journal of Organic Chemistry","2011","76","","5670","5684","10.1021/jo200638k","","","0.71073","MoKα","","0.0627","0.0523","","","0.1219","0.1271","","","","","","1.058","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026458","9.002","0.002","18.56","0.006","7.601","0.002","101.47","0.02","105.82","0.02","79.71","0.02","1187","0.6","200","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C52 H64 N4 O10 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.3238","0.0755","","","0.1694","0.2467","","","","","","0.973","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026459","11.444","0.006","15.267","0.007","7.877","0.003","101.11","0.04","110.14","0.04","68.83","0.04","1201.2","1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C54 H64 N4 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.1736","0.0942","","","0.2414","0.2956","","","","","","1.029","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026460","13.307","0.007","14.665","0.009","7.756","0.003","101.96","0.05","104.7","0.04","64.61","0.04","1314.2","1.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 N O5 -","- C28 H20 N O5 -","- C56 H40 N2 O10 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.1435","0.0654","","","0.194","0.237","","","","","","1.032","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026461","11.046","0.004","14.956","0.004","7.854","0.002","93.48","0.02","107.16","0.02","109.77","0.02","1147.9","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 F N O3 -","- C26 H32 F N O3 -","- C52 H64 F2 N2 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.0824","0.0449","","","0.1202","0.1407","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026462","11.066","0.004","14.562","0.005","7.933","0.002","97.26","0.02","106.81","0.02","109.31","0.03","1119.5","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C52 H66 N2 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.0975","0.0442","","","0.106","0.1254","","","","","","1.077","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026463","8.969","0.004","18.975","0.01","7.594","0.002","100.72","0.04","106.73","0.03","80.41","0.04","1207.3","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H35 N O3 -","- C27 H35 N O3 -","- C54 H70 N2 O6 -","2","1","","Naoto Hayashi; Kazuhito Sato; Yuka Sato; Masayuki Iwagami; Naoki Nishimura; Junro Yoshino; Hiroyuki Higuchi; Tohru Sato","Elongation of Phenoxide C-O Bonds Due to Formation of Multifold Hydrogen Bonds: Statistical, Experimental, and Theoretical Studies","Journal of Organic Chemistry","2011","76","","5747","5758","10.1021/jo200852r","","","0.71069","MoKα","","0.1862","0.0592","","","0.1393","0.1799","","","","","","1.014","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026464","6.545","0.003","8.428","0.004","9.345","0.004","90","","94.64","0.007","90","","513.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C18 H26 N6 O10 -","2","1","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0673","0.051","","","0.1305","0.1901","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026465","10.368","0.012","6.633","0.007","12.241","0.013","90","","99.138","0.018","90","","831.1","1.6","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 N O5 -","- C7 H10 N O5 -","- C28 H40 N4 O20 -","4","2","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0716","0.0526","","","0.1466","0.1763","","","","","","0.749","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026466","4.558","","6.828","","29.676","","90","","90","","90","","923.577","","298","2","298","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C16 H26 N2 O12 -","- C16 H26 N2 O12 -","- C32 H52 N4 O24 -","2","0.5","","Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar","Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones","Journal of Organic Chemistry","2011","76","","5972","5984","10.1021/jo200260w","","","0.71073","MoKα","","0.0719","0.0534","","","0.1079","0.1341","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026467","5.875","0.005","9.353","0.004","12.52","0.005","90","","97.43","0.005","90","","682.2","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1227","0.0583","","","0.1357","0.1913","","","","","","1.047","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026468","9.729","0.001","13.881","0.002","13.377","0.001","90","","104.05","","90","","1752.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71073","MoKα","","0.1223","0.0584","","","0.1515","0.1901","","","","","","1.047","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026469","9.698","0.005","15.006","0.003","13.004","0.004","90","","111.66","0.005","90","0.004","1758.8","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.274","0.0874","","","0.1408","0.2035","","","","","","0.98","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026470","14.822","0.005","7.99","0.003","15.408","0.005","90","","92.48","0.005","90","","1823","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1565","0.0755","","","0.202","0.2473","","","","","","0.854","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026471","9.766","0.005","15.452","0.003","12.887","0.005","90","","110.76","0.005","90","","1818.4","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.1229","0.0575","","","0.1499","0.1786","","","","","","0.86","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026472","8.074","0.005","10.504","0.003","12.459","0.005","100.8","0.005","93.35","0.004","104.97","0.005","996.3","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C42 H58 N2 O8 -","2","1","","Naveen Anand; Bhahwal A. Shah; Munish Kapoor; Rajinder Parshad; Rattan L. Sharma; Maninder S. Hundal; Ajay P. S. Pannu; Prasad V. Bharatam; Subhash C. Taneja","Entrapment and Kinetic Resolution of Stabilized Axial and Equatorial Conformers of Spiro-β-lactams","Journal of Organic Chemistry","2011","76","","5999","6006","10.1021/jo200363x","","","0.71069","MoKα","","0.0829","0.0451","","","0.1171","0.1493","","","","","","0.887","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026473","6.588","0.0001","13.13","0.0003","18.398","0.0003","90","","90","","90","","1591.44","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Yolanda Pérez-Fuertes; James E. Taylor; David A. Tickell; Mary F. Mahon; Steven D. Bull; Tony D. James","Asymmetric Strecker Synthesis of α-Arylglycines","Journal of Organic Chemistry","2011","76","","6038","6047","10.1021/jo200528s","","","0.71073","MoKα","","0.0661","0.0399","","","0.0855","0.096","","","","","","1.037","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026474","8.9785","0.0009","11.6414","0.0012","14.8917","0.0017","74.345","0.007","84.975","0.006","83.654","0.006","1486.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Cl O4 -","- C15 H17 Cl O4 -","- C60 H68 Cl4 O16 -","4","2","","Xiaoyi Chen; Dongxu Chen; Zenghui Lu; Lichun Kong; Gangguo Zhu","Palladium-Catalyzed Coupling of Haloalkynes with Allyl Acetate: A Regio- and Stereoselective Synthesis of (Z)-β-Haloenol Acetates","Journal of Organic Chemistry","2011","76","","6338","6343","10.1021/jo2005318","","","0.71073","MoKα","","0.0797","0.0446","","","0.1188","0.1373","","","","","","1.029","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026475","9.498","0.0005","16.8744","0.0008","19.4763","0.001","90","","90","","90","","3121.5","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Xiaoyi Chen; Dongxu Chen; Zenghui Lu; Lichun Kong; Gangguo Zhu","Palladium-Catalyzed Coupling of Haloalkynes with Allyl Acetate: A Regio- and Stereoselective Synthesis of (Z)-β-Haloenol Acetates","Journal of Organic Chemistry","2011","76","","6338","6343","10.1021/jo2005318","","","0.71073","MoKα","","0.0499","0.0426","","","0.1107","0.1159","","","","","","1.057","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026476","9.14269","0.00017","9.68223","0.00018","30.1893","0.0006","90","","93.6506","0.0012","90","","2666.98","0.09","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H62 Cl4 N2 O4 -","- C57 H62 Cl4 N2 O4 -","- C114 H124 Cl8 N4 O8 -","2","1","","Takuya Hashimoto; Hidenori Kimura; Hiroki Nakatsu; Keiji Maruoka","Synthetic Application and Structural Elucidation of Axially Chiral Dicarboxylic Acid: Asymmetric Mannich-type Reaction with Diazoacetate, (Diazomethyl)phosphonate, and (Diazomethyl)sulfone","Journal of Organic Chemistry","2011","76","","6030","6037","10.1021/jo2005999","","","1.54187","CuKα","","","0.0749","","","","0.2198","","","","","","1.041","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026477","13.233","0.0007","14.1032","0.0008","14.6106","0.0008","100.398","0.001","91.499","0.001","115.592","0.001","2402.1","0.2","143","2","143","2","","","","","","","","2","P -1","-P 1","2","","","","- C176 H56 -","- C176 H56 -","- C176 H56 -","1","0.5","","Wei-Wei Yang; Zong-Jun Li; Xiang Gao","Formation of Singly Bonded PhCH2C60-C60CH2Ph Dimers from 1,2-(PhCH2)HC60 via Electroreductive C60-H Activation","Journal of Organic Chemistry","2011","76","","6067","6074","10.1021/jo2006768","","","0.71073","MoKα","","0.1449","0.0974","","","0.2508","0.2851","","","","","","1.051","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026478","11.3133","0.0006","10.1857","0.0004","14.3493","0.0009","90","","108.054","0.006","90","","1572.11","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C31 H28 Br N3 O7 -","- C31 H28 Br N3 O7 -","- C62 H56 Br2 N6 O14 -","2","1","","Nikola Pavlov; Pierre Gilles; Claude Didierjean; Emmanuel Wenger; Emilia Naydenova; Jean Martinez; Monique Calmès","Asymmetric Synthesis of β2-Tryptophan Analogues via Friedel-Crafts Alkylation of Indoles with a Chiral Nitroacrylate","Journal of Organic Chemistry","2011","76","","6116","6124","10.1021/jo200733t","","x-ray","0.71073","MoKα","","0.0713","0.0537","","","0.1171","0.1274","","","","","","0.993","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026479","10.7713","0.0012","18.247","0.002","17.767","0.002","90","","93.433","0.002","90","","3485.7","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C41 H57 K O3 -","- C41 H57 K O3 -","- C164 H228 K4 O12 -","4","1","","Kohei Ogawa; Koichi Komatsu; Toshikazu Kitagawa","Allyl Radical Nature of a Phenylcyclopentadienyl Radical Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2011","76","","6095","6100","10.1021/jo200748m","","","0.71073","MoKα","","0.105","0.0804","","","0.2369","0.3209","","","","","","1.453","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026480","13.787","0.003","15.652","0.004","15.063","0.004","90","","112.361","0.004","90","","3006.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Cl2 F6 O Sb -","- C30 H35 Cl2 F6 O Sb -","- C120 H140 Cl8 F24 O4 Sb4 -","4","1","","Kohei Ogawa; Koichi Komatsu; Toshikazu Kitagawa","Allyl Radical Nature of a Phenylcyclopentadienyl Radical Annelated with Two Homoadamantene Frameworks","Journal of Organic Chemistry","2011","76","","6095","6100","10.1021/jo200748m","","","0.71073","MoKα","","0.0949","0.0664","","","0.1492","0.1628","","","","","","1.125","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026481","5.6864","0.0006","7.6634","0.001","10.3029","0.001","109.174","0.004","96.472","0.005","101.156","0.005","408.46","0.08","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C18 H16 N4 O4 -","2","1","","Matthew Bancerz; Michael K. Georges","Verdazyl Radicals as Substrates for Organic Synthesis: A Synthesis of 3-Methyl-5-aryl-1,3,4-oxadiazolones","Journal of Organic Chemistry","2011","76","","6377","6382","10.1021/jo200820g","","","0.71073","MoKα","","0.0649","0.0456","","","0.1126","0.1264","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026482","9.7248","0.0003","10.2761","0.0003","13.0872","0.0003","92.22","0.002","109.872","0.003","97","0.003","1216.29","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N7 O13 -","- C23 H15 N7 O13 -","- C46 H30 N14 O26 -","2","1","","Michael Mastalerz; Stefanie Sieste; Mila Cenić; Iris M. Oppel","Two-Step Synthesis of Hexaammonium Triptycene: An Air-Stable Building Block for Condensation Reactions to Extended Triptycene Derivatives","Journal of Organic Chemistry","2011","76","","6389","6393","10.1021/jo200843v","","","0.71073","MoKα","","0.0452","0.0395","","","0.1037","0.1069","","","","","","1.049","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026483","7.6538","0.0001","11.5537","0.0002","15.5946","0.0003","90","","90","","90","","1379.03","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 N2 O2 P -","- C13 H21 N2 O2 P -","- C52 H84 N8 O8 P4 -","4","1","","Yurii V. Svyaschenko; Bogdan B. Barnych; Dmitriy M. Volochnyuk; Nadiya V. Shevchuk; Aleksandr N. Kostyuk","Electrocyclization of Phosphahexatrienes: An Approach to λ5-Phosphinines","Journal of Organic Chemistry","2011","76","","6125","6133","10.1021/jo200847r","","","0.71073","MoKα","","0.032","0.0291","","","0.0704","0.0722","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026484","3.8298","0.0002","12.6432","0.0007","23.095","0.0014","90","","92.939","0.003","90","","1116.81","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acenaphtho[1,2-b]thieno[3,4-e]pyrazine","Acenaphtho[1,2-b]thieno[3,4-e]pyrazine","","- C16 H8 N2 S -","- C16 H8 N2 S -","- C64 H32 N8 S4 -","4","1","","Jon P. Nietfeld; Ryan L. Schwiderski; Thomas P. Gonnella; Seth C. Rasmussen","Structural Effects on the Electronic Properties of Extended Fused-Ring Thieno[3,4-b]pyrazine Analogues","Journal of Organic Chemistry","2011","76","","6383","6388","10.1021/jo200850w","","","1.54178","CuKα","","0.0361","0.0337","","","0.0986","0.1112","","","","","","1.168","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026485","6.874","0.0002","15.5103","0.0004","17.3312","0.0005","90","","90","","90","","1847.81","0.09","296","2","296","2","","","","","","","synthetised","5","P b c n","-P 2n 2ab","60","","2-bromo-5-nitrobenzaldehyde O-methyloxime","","- C8 H7 Br N2 O3 -","- C8 H7 Br N2 O3 -","- C64 H56 Br8 N16 O24 -","8","1","","Emmanuelle Dubost; Christine Fossey; Thomas Cailly; Sylvain Rault; Frederic Fabis","Selective ortho-Bromination of Substituted Benzaldoximes Using Pd-Catalyzed C-H Activation: Application to the Synthesis of Substituted 2-Bromobenzaldehydes","Journal of Organic Chemistry","2011","76","","6414","6420","10.1021/jo200853j","","","0.71073","MoKα","","0.0482","0.0295","","","0.0599","0.0648","","","","","","1.042","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026486","8.0476","0.0003","16.3132","0.0006","11.7439","0.0005","90","","91.959","0.002","90","","1540.86","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Prachi Singh; Abhishek Baheti; K. R. Justin Thomas","Synthesis and Optical Properties of Acidochromic Amine-Substituted Benzo[a]phenazines","Journal of Organic Chemistry","2011","76","","6134","6145","10.1021/jo200857p","","","0.71073","MoKα","","0.0914","0.0587","","","0.156","0.1796","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026487","7.9149","0.0018","13.363","0.003","14.764","0.004","90","","97.933","0.003","90","","1546.6","0.6","203","2","203","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Eiji Yamaguchi; Fumitoshi Shibahara; Toshiaki Murai","1-Alkynyl- and 1-Alkenyl-3-arylimidazo[1,5-a]pyridines: Synthesis, Photophysical Properties, and Observation of a Linear Correlation between the Fluorescent Wavelength and Hammett Substituent Constants","Journal of Organic Chemistry","2011","76","","6146","6158","10.1021/jo200864x","","","0.71075","MoKα","","0.0675","0.0587","","","0.1621","0.17","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026488","19.809","0.015","10.437","0.007","15.931","0.012","90","","115.828","0.009","90","","2965","4","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C152 H96 N16 S8 -","8","1","","Eiji Yamaguchi; Fumitoshi Shibahara; Toshiaki Murai","1-Alkynyl- and 1-Alkenyl-3-arylimidazo[1,5-a]pyridines: Synthesis, Photophysical Properties, and Observation of a Linear Correlation between the Fluorescent Wavelength and Hammett Substituent Constants","Journal of Organic Chemistry","2011","76","","6146","6158","10.1021/jo200864x","","","0.71075","MoKα","","0.1368","0.0817","","","0.1994","0.3098","","","","","","0.907","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026489","9.7454","0.0014","6.0857","0.0009","14.099","0.002","90","","99.027","0.002","90","","825.8","0.2","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 -","- C18 H30 O5 -","- C36 H60 O10 -","2","1","","Jun Xie; Yuelong Ma; David A Horne","Asymmetric Synthesis of the Core Structure of Leucosceptroids A-D","Journal of Organic Chemistry","2011","76","","6169","6176","10.1021/jo200899v","","","","","","","","","","","","","","","","","","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026490","10.3229","0.0016","7.8229","0.0012","11.7671","0.0018","90","","99.978","0.011","90","","935.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl N O -","- C23 H20 Cl N O -","- C46 H40 Cl2 N2 O2 -","2","1","","Ziping Cao; Zhaoqun Liu; Yilin Liu; Haifeng Du","Pd-Catalyzed Asymmetric Allylic Etherizations with Oximes by Chiral Alkene-Phosphine Ligands","Journal of Organic Chemistry","2011","76","","6401","6406","10.1021/jo200925q","","","1.54186","CuKα","","0.0374","0.0357","","","0.0827","0.0834","","","","","","1.112","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026491","9.39286","0.00012","7.87082","0.00008","12.69168","0.00017","90","","102.539","0.0013","90","","915.91","0.02","104","2","104","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Cl N O6 -","- C19 H16 Cl N O6 -","- C38 H32 Cl2 N2 O12 -","2","1","","Rui-jiong Lu; Yun-yun Yan; Jin-jia Wang; Quan-sheng Du; Shao-zhen Nie; Ming Yan","Organocatalytic Asymmetric Conjugate Addition and Cascade Acyl Transfer Reaction of α-Nitroketones","Journal of Organic Chemistry","2011","76","","6230","6239","10.1021/jo2009752","","","1.54184","CuKα","","0.0271","0.0259","","","0.066","0.0672","","","","","","1.046","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026492","7.8532","0.0004","7.8328","0.0004","15.11","0.0008","90","","93.534","0.003","90","","927.69","0.08","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O9 -","- C19 H21 N O9 -","- C38 H42 N2 O18 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0386","0.0345","","0.0863","0.083","0.0863","","","","","","1.0314","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026493","8.659","0.0002","35.4747","0.0009","9.0925","0.0002","90","","101.107","0.0012","90","","2740.68","0.11","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C46.63 H60.69 N8.315 O31.87 -","- C46.63 H54 N8.315 O31.87 -","- C93.26 H108 N16.63 O63.74 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0704","0.0504","","0.1098","0.1006","0.1098","","","","","","1.023","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026494","10.0349","0.0003","5.879","0.0001","11.4499","0.0003","90","","113.627","0.0015","90","","618.87","0.03","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Br N O3 -","- C11 H14 Br N O3 -","- C22 H28 Br2 N2 O6 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0261","0.0249","","0.0651","0.0641","0.0651","","","","","","1.0093","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026495","9.7236","0.0002","13.2103","0.0002","14.0965","0.0002","90","","90","","90","","1810.72","0.05","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C80 H84 N4 O24 -","4","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0387","0.0341","","0.0873","0.0844","0.0873","","","","","","1.0024","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026496","8.6115","0.0008","7.9108","0.0008","11.263","0.0012","90","","105.651","0.006","90","","738.83","0.13","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.1015","0.0814","","0.236","0.2245","0.236","","","","","","1.0223","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026497","16.377","0.003","5.927","0.002","29.072","0.007","90","","87.537","0.017","90","","2819.3","1.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","Yutaka Matsuda; Yusuke Endo; Yoko Saikawa; Masaya Nakata","Synthetic Studies on Polymaxenolides: Synthesis and Structure Elucidation of Nominal Epoxyafricanane and Other Africane-Type Sesquiterpenoids","Journal of Organic Chemistry","2011","76","","6258","6263","10.1021/jo2010186","","","0.71069","MoKα","","0.1726","0.1146","","","0.3713","0.4324","","","","","","1.627","","","","has coordinates,has disorder","178443","2020-10-21","18:00:00",""
"4026498","8.656","0.0004","5.919","0.0002","13.168","0.0005","90","","104.521","0.002","90","","653.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O5 -","- C12 H12 Cl N O5 -","- C24 H24 Cl2 N2 O10 -","2","1","","Gonzalo Blay; Isabel Fernández; M. Carmen Muñoz; José R. Pedro; Alejandro Recuenco; Carlos Vila","Enantioselective Synthesis of Tertiary Alcohols through a Zirconium-Catalyzed Friedel-Crafts Alkylation of Pyrroles with α-Ketoesters","Journal of Organic Chemistry","2011","76","","6286","6294","10.1021/jo2010704","","","0.71073","MoKα","","0.0427","0.0347","","","0.097","0.1031","","","","","","0.998","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026499","9.3698","0.0009","12.8502","0.0012","21.309","0.002","90","","94.857","0.002","90","","2556.5","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N2 O4 Se -","- C30 H32 N2 O4 Se -","- C120 H128 N8 O16 Se4 -","4","1","","Timothy D. Lash; Kae Miyake; Linlin Xu; Gregory M. Ferrence","Synthesis of a Series of Aromatic Benziporphyrins and Heteroanalogues via Tripyrrane-Like Intermediates Derived from Resorcinol and 2-Methylresorcinol","Journal of Organic Chemistry","2011","76","","6295","6308","10.1021/jo201098c","","x-ray","0.71073","MoKα","","0.0307","0.0275","","","0.0757","0.0782","","","","","","1.031","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026500","8.095","0.0009","12.6448","0.0014","20.093","0.003","90","","90","","90","","2056.7","0.4","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br2 O4 -","- C22 H20 Br2 O4 -","- C88 H80 Br8 O16 -","4","1","","Patrick G. McGarraugh; Joshua H. Jones; Stacey E. Brenner-Moyer","A General Organocatalyzed Michael-Michael Cascade Reaction Generates Functionalized Cyclohexenes","Journal of Organic Chemistry","2011","76","","6309","6319","10.1021/jo201140a","","","0.71075","MoKα","","","0.0506","","","","0.1127","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026501","6.4729","0.0007","9.5197","0.001","30.427","0.003","90","","91.325","0.006","90","","1874.4","0.3","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O9 -","- C18 H22 N2 O9 -","- C72 H88 N8 O36 -","4","1","","Rakeshwar Bandichhor; Andrew N. Lowell; Marisa C. Kozlowski","Alternative Spiroketalization Methods toward Purpuromycin: A Hemiketal Conjugate Addition Strategy and Use of an Electron-Rich Isocoumarin Precursor","Journal of Organic Chemistry","2011","76","","6475","6487","10.1021/jo200398v","","","0.71073","MoKα","","0.0877","0.0762","","","0.1985","0.2052","","","","","","1.213","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026502","8.356","0.002","5.4364","0.0013","23.154","0.005","90","","95.498","0.003","90","","1047","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 F O2 -","- C13 H11 F O2 -","- C52 H44 F4 O8 -","4","2","","Jun-Ling Chen; Feng Zheng; Yangen Huang; Feng-Ling Qing","Synthesis of γ-Monofluorinated Goniothalamin Analogues via Regio- and Stereoselective Ring-Opening Hydrofluorination of Epoxide","Journal of Organic Chemistry","2011","76","","6525","6533","10.1021/jo200611w","","","0.71073","MoKα","","0.0443","0.0424","","","0.1236","0.1257","","","","","","1.081","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026503","9.1481","0.0006","13.7312","0.0009","14.6068","0.0009","74.556","0.001","73.613","0.001","79.902","0.001","1686.74","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Cl2 N O2 -","- C44 H31 Cl2 N O2 -","- C88 H62 Cl4 N2 O4 -","2","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","0.71073","MoKα","","0.0674","0.0545","","","0.1341","0.1424","","","","","","1.023","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026504","9.2633","0.0007","12.7857","0.0008","13.783","0.001","74.876","0.006","72.754","0.007","79.222","0.006","1494.35","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N O2 -","- C43 H29 N O2 -","- C86 H58 N2 O4 -","2","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","1.54178","CuKα","","0.1049","0.0542","","","0.1359","0.1638","","","","","","0.88","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026505","21.1065","0.0015","6.0864","0.0004","12.9348","0.001","90","","90.95","0.004","90","","1661.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","0.71073","MoKα","","0.1552","0.069","","","0.1684","0.1904","","","","","","1.014","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026506","14.0259","0.0006","6.2593","0.0003","24.8603","0.0011","90","","103.114","0.002","90","","2125.62","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl3 N O2 -","- C24 H18 Cl3 N O2 -","- C96 H72 Cl12 N4 O8 -","4","1","","Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang","N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer","Journal of Organic Chemistry","2011","76","","6813","6818","10.1021/jo200665v","","","0.71073","MoKα","","0.1054","0.0559","","","0.1474","0.1722","","","","","","0.925","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026507","7.6599","0.0015","9.3279","0.0019","16.515","0.003","90","","90","","90","","1180","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O6 S -","- C10 H10 N2 O6 S -","- C40 H40 N8 O24 S4 -","4","1","","Suneel P. Singh; Alex Michaelides; A. Rod Merrill; Adrian L. Schwan","A Microwave-Assisted Synthesis of (S)-N-Protected Homoserine γ-Lactones from l-Aspartic Acid","Journal of Organic Chemistry","2011","76","","6825","6831","10.1021/jo2008093","","","0.71073","MoKα","","0.0422","0.0346","","","0.0817","0.0867","","","","","","1.101","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026508","5.0855","0.0001","9.6271","0.0003","25.6576","0.0007","90","","90","","90","","1256.16","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Erin R. Graham; Rik R. Tykwinski","Chiral Propargyl Alcohols via the Enantioselective Addition of Terminal Di- and Triynes to Aldehydes","Journal of Organic Chemistry","2011","76","","6574","6583","10.1021/jo2008719","","","0.71073","MoKα","","0.0319","0.0312","","","0.086","0.0872","","","","","","1.084","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026509","8.1955","0.0007","10.7777","0.0008","17.285","0.0014","80.839","0.003","87.076","0.004","88.599","0.003","1505.1","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N5 O14 S -","- C29 H27 N5 O14 S -","- C58 H54 N10 O28 S2 -","2","1","","Roderick W. Bates; K. Sivarajan; Bernd F. Straub","A Synthesis of Pseudoconhydrine and Its Epimer via Hydroformylation and Dihydroxylation","Journal of Organic Chemistry","2011","76","","6844","6848","10.1021/jo2008912","","","0.71073","MoKα","","0.0972","0.0563","","","0.1379","0.1718","","","","","","1.075","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026510","22.688","0.0005","22.688","0.0005","8.4809","0.0003","90","","90","","90","","4365.5","0.2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H21 Cl N2 O2 S -","- C24 H21 Cl N2 O2 S -","- C192 H168 Cl8 N16 O16 S8 -","8","1","","Yizhe Yan; Kun Xu; Yang Fang; Zhiyong Wang","A Catalyst-Free Benzylic C-H Bond Olefination of Azaarenes for Direct Mannich-like Reactions","Journal of Organic Chemistry","2011","76","","6849","6855","10.1021/jo2008934","","","0.71073","MoKα","","0.0824","0.0541","","","0.1708","0.1838","","","","","","1.069","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026511","7.7365","0.0004","10.5171","0.0006","19.434","0.0012","90","","90","","90","","1581.26","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","","Diego Núñez-Villanueva; M. Ángeles Bonache; Lourdes Infantes; M. Teresa García-López; Mercedes Martín-Martínez; Rosario González-Muñiz","Quaternary α,α-2-Oxoazepane α-Amino Acids: Synthesis from Ornithine-Derived β-Lactams and Incorporation into Model Dipeptides","Journal of Organic Chemistry","2011","76","","6592","6603","10.1021/jo200894d","","","1.54178","CuKα","","0.0936","0.0854","","","0.2173","0.2241","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026512","5.324","0.008","10.365","0.015","14.32","0.02","89.195","0.019","84.673","0.018","76.599","0.017","765.4","1.9","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Jun Yong Kang; Brian T. Connell","Palladium-Catalyzed Alkynylation of Secondary α-Bromo Carbonyl Compounds via Stille Coupling","Journal of Organic Chemistry","2011","76","","6856","6859","10.1021/jo200939u","","","0.71073","MoKα","","0.052","0.0422","","","0.1122","0.1182","","","","","","1.052","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026513","8.32986","0.0001","11.95103","0.00015","35.3621","0.0005","90","","90","","90","","3520.31","0.08","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1β-(6-Bromopyridin-3-yl)-1,3,5-tri -O-(tert-butyldimethylsilyl)-D-ribofuranose","","- C28 H54 Br N O5 Si3 -","- C28 H54 Br N O5 Si3 -","- C112 H216 Br4 N4 O20 Si12 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0412","0.038","","0.0496","0.0464","0.0464","","","","","","0.9277","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026514","5.03627","0.00013","10.7538","0.0003","10.169","0.0003","90","","97.824","0.002","90","","545.62","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-(5-Methylpyridin-2-yl)-1-deoxy-D-ribofuranose","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C22 H30 N2 O8 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0413","0.0395","","0.0509","0.0475","0.0475","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026515","4.99794","0.00007","10.75451","0.00016","11.3672","0.00017","90","","91.1917","0.0013","90","","610.859","0.015","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-[5-(Dimethylamino)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.03","0.0297","","0.0331","0.0328","0.0328","","","","","","1.0585","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026516","6.8778","0.0003","10.4003","0.0005","9.7635","0.0004","90","","105.007","0.005","90","","674.58","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","1β-[5-(Dimethylcarbamoyl)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0296","0.0291","","0.037","0.0369","0.0369","","","","","","0.9325","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026517","4.9831","0.0003","11.6287","0.0008","11.875","0.0008","90","","100.351","0.007","90","","676.92","0.08","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","1β-[5-(2-Thienyl)pyridin-2-yl]-1-deoxy-D-ribofuranose","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C28 H30 N2 O8 S2 -","2","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0682","0.0554","","0.0808","0.0678","0.0678","","","","","","1.0708","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026518","8.8486","0.0013","9.5964","0.0014","27.377","0.004","90","","96.322","0.002","90","","2310.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N3 Ni O3 -","- C29 H21 N3 Ni O3 -","- C116 H84 N12 Ni4 O12 -","4","1","","Daizong Lin; Li Lv; Jiang Wang; Xiao Ding; Hualiang Jiang; Hong Liu","Preparation of α-Alkyl-β-Amino Acids via β-Alanine Ni(II) Complex","Journal of Organic Chemistry","2011","76","","6649","6656","10.1021/jo200971k","","","0.71073","MoKα","","0.0311","0.0284","","","0.0861","0.088","","","","","","1.076","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026519","13.979","0.004","7.47","0.002","19.413","0.004","90","","133.822","0.012","90","","1462.6","0.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N2 O3 -","- C16 H13 Cl N2 O3 -","- C64 H52 Cl4 N8 O12 -","4","1","","Tom Verhelst; Jens Maes; Zuming Liu; Sergey Sergeyev; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Selective Bromine-Magnesium Exchange and Lactam Directed Ortho C-H Magnesiation","Journal of Organic Chemistry","2011","76","","6670","6677","10.1021/jo201009m","","","0.71073","MoKα","","0.0779","0.0553","","","0.1589","0.1762","","","","","","1.149","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026520","4.3122","0.0012","10.505","0.003","27.486","0.007","90","","90","","90","","1245.1","0.6","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C48 H44 Cl4 N8 O4 S4 -","4","1","","Tom Verhelst; Jens Maes; Zuming Liu; Sergey Sergeyev; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Selective Bromine-Magnesium Exchange and Lactam Directed Ortho C-H Magnesiation","Journal of Organic Chemistry","2011","76","","6670","6677","10.1021/jo201009m","","","0.71073","MoKα","","0.0411","0.0352","","","0.0836","0.0897","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026521","21.995","0.004","5.7088","0.0009","35.394","0.005","90","","102.439","0.009","90","","4339.9","1.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H26 F N O4 -","- C27 H26 F N O4 -","- C216 H208 F8 N8 O32 -","8","2","","Michał Michalak; Maciej Stodulski; Sebastian Stecko; Adam Mames; Irma Panfil; Magdalena Soluch; Bartłomiej Furman; Marek Chmielewski","A Formal Synthesis of Ezetimibe via Cycloaddition/Rearrangement Cascade Reaction","Journal of Organic Chemistry","2011","76","","6931","6936","10.1021/jo2010846","","","0.71073","MoKα","","0.0473","0.0399","","","0.0864","0.0897","","","","","","1.05","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026522","9.7919","0.0002","7.53219","0.00015","16.9507","0.0004","90","","100.148","0.002","90","","1230.63","0.05","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H45 Cl -","- C27 H45 Cl -","- C54 H90 Cl2 -","2","1","","Ross M. Denton; Jie An; Beatrice Adeniran; Alexander J. Blake; William Lewis; Andrew M. Poulton","Catalytic Phosphorus(V)-Mediated Nucleophilic Substitution Reactions: Development of a Catalytic Appel Reaction","Journal of Organic Chemistry","2011","76","","6749","6767","10.1021/jo201085r","","","1.54184","CuKα","","0.0708","0.0667","","","0.179","0.185","","","","","","1.07","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026523","20.8394","0.0011","9.278","0.0005","24.4594","0.0014","90","","90","","90","","4729.2","0.4","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H58 Cl3 N O3 P2 -","- C48 H58 Cl3 N O3 P2 -","- C192 H232 Cl12 N4 O12 P8 -","4","1","","Ross M. Denton; Jie An; Beatrice Adeniran; Alexander J. Blake; William Lewis; Andrew M. Poulton","Catalytic Phosphorus(V)-Mediated Nucleophilic Substitution Reactions: Development of a Catalytic Appel Reaction","Journal of Organic Chemistry","2011","76","","6749","6767","10.1021/jo201085r","","","0.71073","MoKα","","0.0497","0.043","","","0.0925","0.0949","","","","","","1.01","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026524","6.6621","0.0006","6.6337","0.0006","16.6396","0.0014","90","","98.936","0.005","90","","726.45","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Xiaotao Zhuo; Kai Xiang; Fu-Min Zhang; Yong-Qiang Tu","Total Synthesis of (+)-Przewalskin B","Journal of Organic Chemistry","2011","76","","6918","6924","10.1021/jo201111w","","","0.71073","MoKα","","0.0657","0.0477","","","0.1179","0.1316","","","","","","1.035","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026525","13.2045","0.0018","19.022","0.003","18.615","0.003","90","","98.097","0.002","90","","4629","1.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H24 O10 -","- C70 H24 O10 -","- C280 H96 O40 -","4","1","","Gang Zhang; Qianyan Zhang; Zhenshan Jia; Sisi Liang; Liangbing Gan; Yuliang Li","Preparation of a 12-Membered Open-Cage Fullerendione through Silane/Borane-Promoted Formation of Ketal Moieties and Oxidation of a Vicinal Fullerendiol","Journal of Organic Chemistry","2011","76","","6743","6748","10.1021/jo201143k","","","0.71073","MoKα","","0.0793","0.0688","","","0.1618","0.1682","","","","","","1.127","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026526","12.3277","0.0005","8.9364","0.0004","13.1357","0.0006","90","","104.071","0.001","90","","1403.68","0.11","120","0.2","120","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl4 N4 O18 -","- C16 H30 Cl4 N4 O18 -","- C32 H60 Cl8 N8 O36 -","2","0.5","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.0336","0.0305","","","0.0849","0.0868","","","","","","1.079","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026527","5.8449","0.0013","13.893","0.003","11.655","0.003","90","","94.21","0.004","90","","943.9","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O8 -","- C18 H18 Cl2 N2 O8 -","- C36 H36 Cl4 N4 O16 -","2","0.5","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.0787","0.0575","","","0.1813","0.2269","","","","","","1.097","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026528","8.7194","0.0007","11.738","0.001","17.3124","0.0015","79.194","0.004","80.249","0.003","77.874","0.003","1686","0.2","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H84 Cl4 N4 O33 -","- C52 H78 Cl4.002 N4 O33.006 -","- C52 H78 Cl4.002 N4 O33.006 -","1","0.5","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.1837","0.1138","","","0.2706","0.307","","","","","","1.026","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026529","20.79","0.003","27.46","0.004","21.875","0.003","90","","90.096","0.004","90","","12488","3","120","0.2","120","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H75.63 Cl4 N4.25 O28.44 -","- C50.5 H74.75 Cl4 N4.25 O28.44 -","- C404 H598 Cl32 N34 O227.52 -","8","2","","Artem I. Vedernikov; Evgeny N. Ushakov; Asya A. Efremova; Lyudmila G. Kuz'mina; Anna A. Moiseeva; Natalia A. Lobova; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Sergey P. Gromov","Synthesis, Structure, and Properties of Supramolecular Charge-Transfer Complexes between Bis(18-crown-6)stilbene and Ammonioalkyl Derivatives of 4,4'-Bipyridine and 2,7-Diazapyrene","Journal of Organic Chemistry","2011","76","","6768","6779","10.1021/jo201172w","","","0.71073","MoKα","","0.1464","0.0715","","","0.1694","0.1944","","","","","","0.875","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026530","15.8125","0.0006","8.2142","0.0002","24.8634","0.0008","90","","90","","90","","3229.43","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 O5 -","- C18 H14 N4 O5 -","- C144 H112 N32 O40 -","8","1","","Anna M. Said; G. Paul Savage","Atropisomerism-Induced Facial Selectivity in Nitrile Oxide Cycloadditions with 5-Methylenehydantoins","Journal of Organic Chemistry","2011","76","","6946","6950","10.1021/jo2011818","","","0.71073","MoKα","","0.0512","0.0411","","","0.1012","0.1079","","","","","","1.031","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026531","10.5942","0.001","19.501","0.0018","11.6473","0.001","90","","111.836","0.002","90","","2233.7","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N7 O2 -","- C25 H19 N7 O2 -","- C100 H76 N28 O8 -","4","0.5","","Dolores Santa María; M. Ángeles Farrán; M. Ángeles García; Elena Pinilla; M. Rosario Torres; José Elguero; Rosa M. Claramunt","Synthetic Hosts for Molecular Recognition of Ureas","Journal of Organic Chemistry","2011","76","","6780","6788","10.1021/jo201191x","","","0.71073","MoKα","","0.1018","0.0409","","","0.1049","0.1301","","","","","","0.985","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026532","37.0092","0.0016","13.0987","0.0004","14.0975","0.0005","90","","95.401","0.003","90","","6803.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H68 N14 O7 S2 -","- C76 H68 N14 O7 S2 -","- C304 H272 N56 O28 S8 -","4","0.5","","Dolores Santa María; M. Ángeles Farrán; M. Ángeles García; Elena Pinilla; M. Rosario Torres; José Elguero; Rosa M. Claramunt","Synthetic Hosts for Molecular Recognition of Ureas","Journal of Organic Chemistry","2011","76","","6780","6788","10.1021/jo201191x","","","0.71073","MoKα","","0.082","0.0535","","","0.1576","0.1688","","","","","","1.093","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026533","5.9088","0.0001","8.2275","0.0001","8.8385","0.0002","94.299","0.001","102.726","0.001","93.867","0.001","416.386","0.013","293","2","293","2","","","","","","","","4","P 1","P 1","1","phenyl phenylselenyl isochromen","3-phenyl-4-(phenylselenyl)-1H-isochromen-1-one","","- C21 H14 O2 Se -","- C21 H14 O2 Se -","- C21 H14 O2 Se -","1","1","","Adriane Sperança; Benhur Godoi; Simone Pinton; Davi F. Back; Paulo H. Menezes; Gilson Zeni","Regioselective Synthesis of Isochromenones by Iron(III)/PhSeSePh-Mediated Cyclization of 2-Alkynylaryl Esters","Journal of Organic Chemistry","2011","76","","6789","6797","10.1021/jo201211s","","","0.71073","MoKα","","0.0387","0.0349","","","0.083","0.085","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026534","7.4468","0.0005","11.144","0.0007","27.7567","0.0017","90","","90","","90","","2303.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O3 -","- C27 H40 O3 -","- C108 H160 O12 -","4","1","","Xi-Bo Chen; Qian-Jia Yuan; Jing Wang; Si-Kai Hua; Jiangmeng Ren; Bu-Bing Zeng","Synthesis of the Scalarane Sesterterpenoid 16-deacetoxy-12-epi-scalarafuranacetate","Journal of Organic Chemistry","2011","76","","7216","7221","10.1021/jo2008127","","","0.71073","MoKα","","0.0433","0.039","","","0.1145","0.1188","","","","","","1.065","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026535","9.0198","0.0004","11.6551","0.0006","11.6797","0.0005","97.658","0.003","110.694","0.003","106.89","0.003","1060.22","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 Cl O6 -","- C22 H21 Cl O6 -","- C44 H42 Cl2 O12 -","2","1","","Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie","K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues","Journal of Organic Chemistry","2011","76","","7222","7228","10.1021/jo2008675","","","0.71073","MoKα","","","0.0735","","","0.2184","0.2603","","","","","","1.056","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026536","15.7744","0.0006","10.0072","0.0004","14.5277","0.0005","90","","111.652","0.002","90","","2131.5","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br Cl O6 -","- C22 H20 Br Cl O6 -","- C88 H80 Br4 Cl4 O24 -","4","1","","Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie","K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues","Journal of Organic Chemistry","2011","76","","7222","7228","10.1021/jo2008675","","","0.71073","MoKα","","","0.0483","","","0.1232","0.1413","","","","","","1.036","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026537","7.9833","0.0005","11.209","0.0007","11.4737","0.0012","116.08","0.006","91.797","0.006","109.652","0.004","848.75","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C38 H38 N2 O8 -","2","1","","Qu-Bo Li; Fei-Ting Zhou; Zheng-Geng Liu; Xue-Feng Li; Wei-Dong Zhu; Jian-Wu Xie","K2CO3-Promoted Domino Reactions: Construction of Functionalized 2,3-Dihydrobenzofurans and Clofibrate Analogues","Journal of Organic Chemistry","2011","76","","7222","7228","10.1021/jo2008675","","","0.71073","MoKα","","","0.0533","","","0.1429","0.1664","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026538","20.08","","5.978","","12.389","","90","","104.4","","90","","1440.43","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 N2 O4 S -","- C11 H20 N2 O4 S -","- C44 H80 N8 O16 S4 -","4","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0916","0.0692","","","0.1839","0.1984","","","","","","1.061","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026539","27.7068","0.0011","5.8066","0.0002","21.0351","0.0008","90","","103.144","0.004","90","","3295.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C128 H168 N8 O32 S8 -","8","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0498","0.0387","","","0.1042","0.1109","","","","","","1.047","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026540","7.9436","0.001","10.6539","0.0016","13.268","0.002","107.76","0.011","107.42","","90","","1015.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N O5 S2 -","- C20 H23 N O5 S2 -","- C40 H46 N2 O10 S4 -","2","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0452","0.0357","","","0.0908","0.0969","","","","","","0.997","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026541","6.6298","0.0002","7.9932","0.0002","26.5748","0.0008","90","","92.578","0.003","90","","1406.86","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives","Journal of Organic Chemistry","2011","76","","7010","7016","10.1021/jo200878t","","","0.71073","MoKα","","0.0458","0.0346","","","0.0943","0.1005","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026542","10.643","0.002","5.8696","0.0012","15.844","0.003","90","","102.025","0.006","90","","968.1","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Sumit Saha; Subhas Chandra Roy","Titanocene(III) Chloride Mediated Radical Induced Allylation of Aldimines: Formal Synthesis of C-Linked 4'-Deoxy Aza-disaccharide","Journal of Organic Chemistry","2011","76","","7229","7234","10.1021/jo200908b","","","0.71073","MoKα","","0.0643","0.0419","","","0.0903","0.103","","","","","","0.958","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026543","30.7167","0.0004","11.4762","0.0002","19.3445","0.0003","90","","125.362","0.0008","90","","5561.1","0.16","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Z)-2-isopropoxy-4-((1-(2-isopropoxy-4-nitrophenyl)-5-methyl-1-oxohex-2-en-3-yl) amino)benzamide","","- C28 H36 N4 O6 -","- C28 H36 N4 O6 -","- C224 H288 N32 O48 -","8","1","","Marc J. Adler; Andrew D. Hamilton","Oligophenylenaminones as Scaffolds for α-Helix Mimicry","Journal of Organic Chemistry","2011","76","","7040","7047","10.1021/jo200917d","","","0.71073","MoKα","","0.0796","0.0569","","0.071","0.0557","0.053","","","","","","1.0844","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026544","7.8063","0.0005","12.4919","0.0009","14.4086","0.001","68.686","0.001","79.523","0.001","74.993","0.001","1258.29","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","08003","","","- C26 H46 O4 Si -","- C26 H46 O4 Si -","- C52 H92 O8 Si2 -","2","1","","Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung","Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology","Journal of Organic Chemistry","2011","76","","7027","7039","10.1021/jo200936r","","","0.71073","MoKα","","0.0716","0.045","","","0.1003","0.1147","","","","","","1.006","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026545","9.4004","0.0007","10.2614","0.0008","13.271","0.001","101.813","0.001","93.644","0.001","94.256","0.001","1245.5","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","04320","","","- C25 H44 O4 Si -","- C25 H44 O4 Si -","- C50 H88 O8 Si2 -","2","1","","Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung","Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology","Journal of Organic Chemistry","2011","76","","7027","7039","10.1021/jo200936r","","","0.71073","MoKα","","0.0503","0.0401","","","0.1031","0.113","","","","","","1.021","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026546","13.826","0.001","10.4515","0.0009","11.916","0.001","90","","106.751","0.002","90","","1648.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","04119","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung","Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology","Journal of Organic Chemistry","2011","76","","7027","7039","10.1021/jo200936r","","","0.71073","MoKα","","0.0744","0.0425","","","0.091","0.101","","","","","","1.02","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026547","17.6991","0.0011","17.7612","0.0011","18.108","0.0011","74.61","0.001","77.744","0.001","73.738","0.001","5209.8","0.6","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C107 H150 O17 -","- C107 H150 O17 -","- C214 H300 O34 -","2","1","","Katerina Kogan; Silvio E. Biali","Conformationally Restricted Calix[8]arenes Substituted at All Methylene Bridges","Journal of Organic Chemistry","2011","76","","7240","7244","10.1021/jo2009643","","","0.71073","MoKα","","0.0977","0.0753","","","0.2194","0.2342","","","","","","1.085","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026548","23.8379","0.0015","22.2455","0.0014","31.724","0.002","90","","90.392","0.001","90","","16822.4","1.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H202.5 Cl9 N2.5 O8 -","- C168 H202.5 Cl9 N2.5 O8 -","- C672 H810 Cl36 N10 O32 -","4","1","","Katerina Kogan; Silvio E. Biali","Conformationally Restricted Calix[8]arenes Substituted at All Methylene Bridges","Journal of Organic Chemistry","2011","76","","7240","7244","10.1021/jo2009643","","","0.71073","MoKα","","0.2365","0.141","","","0.3818","0.4208","","","","","","1.289","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026549","33.177","0.008","25.438","0.006","23.549","0.005","90","","91.265","0.004","90","","19869","8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C208 H258 O8 -","- C208 H258 O8 -","- C832 H1032 O32 -","4","0.5","","Katerina Kogan; Silvio E. Biali","Conformationally Restricted Calix[8]arenes Substituted at All Methylene Bridges","Journal of Organic Chemistry","2011","76","","7240","7244","10.1021/jo2009643","","","0.71073","MoKα","","0.271","0.1273","","","0.3232","0.4101","","","","","","1.063","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026550","7.6095","0.0004","9.119","0.0005","24.1791","0.0012","90","","90","","90","","1677.81","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br N Si -","- C17 H22 Br N Si -","- C68 H88 Br4 N4 Si4 -","4","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0195","0.0185","","","0.0477","0.0481","","","","","","1.073","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026551","8.2568","0.0003","12.9481","0.0005","18.6506","0.0007","90","","90","","90","","1993.93","0.13","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br N Si -","- C20 H28 Br N Si -","- C80 H112 Br4 N4 Si4 -","4","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0254","0.0213","","","0.0512","0.053","","","","","","1.052","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026552","8.7606","0.0003","14.0441","0.0005","19.0306","0.0008","90","","102.267","0.001","90","","2287.97","0.15","90","2","90","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C40 H58 Br4 N2 O3 Si2 Zn -","- C40 H58 Br4 N2 O3 Si2 Zn -","- C80 H116 Br8 N4 O6 Si4 Zn2 -","2","0.5","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0248","0.0245","","","0.0633","0.0635","","","","","","1.029","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026553","8.445","0.0004","7.4439","0.0004","16.4853","0.0008","90","","102.33","0.001","90","","1012.42","0.09","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N Si -","- C22 H24 Br N Si -","- C44 H48 Br2 N2 Si2 -","2","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0319","0.0271","","","0.0647","0.0674","","","","","","1.033","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026554","18.534","0.004","8.8696","0.0017","13.761","0.003","90","","97.078","0.008","90","","2244.9","0.8","100","","100","","","","","","","","methanol/dichloromethane,","5","C 1 2 1","C 2y","5","","ethynyl-2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)-2,6-pyridyl- amido-(R)-1-ethyl-methylsulfonate","","- C21 H21 N7 O5 S -","- C21 H21 N7 O5 S -","- C84 H84 N28 O20 S4 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","1.54178","Cu-Kα","","0.1295","0.0408","","","0.0883","0.0922","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026555","17.235","0.002","17.235","0.002","12.72","0.003","90","","90","","90","","3778.4","1.1","100","","100","","","","","","","","methanol/dichloromethane","6","P 43","P 4cw","78","","trimethylsilyl-ethynyl-2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)- 2,6-pyridyl-amido-(R)-1-ethyl-1,5-(1,2,3-triazolyl)-2,6-pyridyl-amido-(S)- 1-ethyl-methyl-sulfonate","","- C34 H38 N12 O6 S Si -","- C34 H38 N12 O6 S Si -","- C136 H152 N48 O24 S4 Si4 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","0.71073","Mo-Kα","","0.0388","0.0328","","","0.0781","0.0823","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026556","12.4653","0.0005","17.197","0.0007","17.6158","0.0008","90","","90","","90","","3776.2","0.3","100","","100","","","","","","","","water/acetone(1:1)","4","P 21 21 21","P 2ac 2ab","19","","cyclo-tris-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) acetone dihydrate solute","","- C33 H37 N15 O6 -","- C33 H37 N15 O6 -","- C132 H148 N60 O24 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","1.54178","Cu-Kα","","0.0617","0.0558","","","0.1413","0.1456","","","","","","1.143","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026557","14.2352","0.0009","14.2352","0.0009","15.1711","0.0009","90","","90","","120","","2662.4","0.3","","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C33 H39 N9 O9 -","- C33 H39 N9 O9 -","- C99 H117 N27 O27 -","3","0.333333","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","","","","","","","","","","","","","","","","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026558","9.9601","0.0009","9.3717","0.0009","19.2123","0.0018","90","","101.469","0.002","90","","1757.5","0.3","100","","100","","","","","","","","acetone,hexane","4","P 1 21 1","P 2yb","4","","cyclo-tris-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) acetone hydrate solute","","- C33 H35 N15 O5 -","- C33 H35 N15 O5 -","- C66 H70 N30 O10 -","2","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","0.71073","Mo-Kα","","0.0393","0.0371","","","0.1027","0.106","","","","","","0.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026559","13.7926","0.0005","8.9256","0.0003","14.0637","0.0004","90","","119.333","0.002","90","","1509.36","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O7 -","- C14 H17 N O7 -","- C56 H68 N4 O28 -","4","2","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71073","MoKα","","0.0889","0.0484","","","0.0994","0.116","","","","","","1.043","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026560","7.2444","0.0002","8.4332","0.0003","27.215","0.0009","90","0.005","90","0.005","90","0.005","1662.66","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O9 -","- C15 H19 N O9 -","- C60 H76 N4 O36 -","4","1","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71069","MoKα","","0.0593","0.0422","","","0.0848","0.0919","","","","","","1.041","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026561","7.2387","0.0003","8.1145","0.0004","23.705","0.001","90","","90","","90","","1392.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","c450-2","","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71069","MoKα","","0.0564","0.0442","","","0.1006","0.107","","","","","","1.042","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026562","7.4737","0.0014","12.984","0.002","23.026","0.004","90","","90","","90","","2234.4","0.7","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","1","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.0676","0.0532","","","0.1019","0.1087","","","","","","1.001","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026563","8.9925","0.0016","9.4538","0.0017","11.71","0.002","109.472","0.004","105.396","0.004","90.581","0.004","899.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl N4 O4 -","- C20 H17 Cl N4 O4 -","- C40 H34 Cl2 N8 O8 -","2","1","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.0771","0.0529","","","0.1007","0.1092","","","","","","1.008","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026564","8.3498","0.0011","10.0042","0.0013","17.756","0.002","98.894","0.003","102.414","0.003","101.285","0.003","1390.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C60 H76 N12 O4 -","4","2","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.1132","0.0587","","","0.1078","0.121","","","","","","1.009","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026565","11.654","0.0016","5.9858","0.0012","19.445","0.002","90","","90.756","0.014","90","","1356.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H52 O7 -","- C27 H52 O7 -","- C54 H104 O14 -","2","1","","Victoria L. Challinor; Patricia Y. Hayes; Paul V. Bernhardt; William Kitching; Reginald P. Lehmann; James J. De Voss","Revision of the Absolute Configurations of Bethosides B and C and Their Aglycone","Journal of Organic Chemistry","2011","76","","7275","7280","10.1021/jo2012797","","","1.5418","CuKα","","0.0882","0.077","","","0.2006","0.2111","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026566","14.5918","0.0002","14.5918","0.0002","21.0203","0.0006","90","","90","","90","","4475.66","0.15","150","2","150","2","","","","","","","","6","P 42/n","-P 4bc","","","","","- C23 H22 B F2 N3 O2 -","- C23 H22 B F2 N3 O2 -","- C184 H176 B8 F16 N24 O16 -","8","","","M. Rajeswara Rao; Manu D. Tiwari; Jayesh R. Bellare; M. Ravikanth","Synthesis of BF2 Complexes of Prodigiosin Type Oligopyrroles","Journal of Organic Chemistry","2011","76","","7263","7268","10.1021/jo201183s","","","0.71073","MoKα","","0.0865","0.0586","","","0.1858","0.197","","","","","","1.032","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026567","11.534","0.005","14.383","0.005","15.388","0.005","103.451","0.005","104.397","0.005","90.407","0.005","2399.1","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H40 Cl0 Cu0 N4 O13 S2 -","- C45 H34 N4 O12 S2 -","- C90 H68 N8 O24 S4 -","2","1","","Saumen Hajra; Debarshi Sinha","Catalytic Enantioselective Aziridoarylation of Aryl Cinnamyl Ethers toward Synthesis of trans-3-Amino-4-arylchromans","Journal of Organic Chemistry","2011","76","","7334","7340","10.1021/jo200711s","","","0.71073","MoKα","","0.1331","0.0897","","","0.258","0.3039","","","","","","1.089","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026568","5.5102","0.0012","21.666","0.005","13.819","0.003","90","","93.434","0.003","90","","1646.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 O3 S -","- C17 H13 F3 O3 S -","- C68 H52 F12 O12 S4 -","4","1","","Hao Lin; Qilong Shen; Long Lu","β-(Trifluoromethyl)vinyl Sulfonium Salts: Preparation and Reactions with Active Methylene and Methenyl Compounds","Journal of Organic Chemistry","2011","76","","7359","7369","10.1021/jo2009033","","","0.71073","MoKα","","0.0416","0.0376","","","0.1153","0.121","","","","","","0.997","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026569","9.6406","0.0011","12.0965","0.0014","12.8257","0.0015","69.462","0.002","74.343","0.002","66.94","0.002","1273.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 F3 N2 O8 -","- C27 H21 F3 N2 O8 -","- C54 H42 F6 N4 O16 -","2","1","","Hao Lin; Qilong Shen; Long Lu","β-(Trifluoromethyl)vinyl Sulfonium Salts: Preparation and Reactions with Active Methylene and Methenyl Compounds","Journal of Organic Chemistry","2011","76","","7359","7369","10.1021/jo2009033","","","0.71073","MoKα","","0.0749","0.0592","","","0.1614","0.1758","","","","","","1.037","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026570","13.188","0.0015","8.071","0.0007","16.17","0.002","90","","95.472","0.01","90","","1713.3","0.3","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Gianna Reginato; Bernardo Pezzati; Andrea Ienco; Gabriele Manca; Andrea Rossin; Alessandro Mordini","Synthesis of Enantiomerically Enriched Amino Sulfide Building Blocks from Acyclic Chiral Amino Allylsilanes","Journal of Organic Chemistry","2011","76","","7415","7422","10.1021/jo2010878","","x-ray","0.71069","MoKα","","0.1106","0.0516","","","0.1487","0.1718","","","","","","0.867","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026571","7.847","0.001","14.306","0.001","19.458","0.002","90","0.005","90","0.005","90","0.005","2184.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 S -","- C20 H26 N2 O4 S -","- C80 H104 N8 O16 S4 -","4","1","","Gianna Reginato; Bernardo Pezzati; Andrea Ienco; Gabriele Manca; Andrea Rossin; Alessandro Mordini","Synthesis of Enantiomerically Enriched Amino Sulfide Building Blocks from Acyclic Chiral Amino Allylsilanes","Journal of Organic Chemistry","2011","76","","7415","7422","10.1021/jo2010878","","x-ray","0.71069","MoKα","","0.1233","0.045","","","0.104","0.1215","","","","","","0.813","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026572","8.112","0.011","12.822","0.019","16.77","0.02","90","","90","","90","","1744","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C76 H72 Cl4 N4 O12 -","4","1","","Yao-Zong Liu; Jie Zhang; Peng-Fei Xu; Yong-Chun Luo","Organocatalytic Asymmetric Michael Addition of 1-Acetylindolin-3-ones to α,β-Unsaturated Aldehydes: Synthesis of 2-Substituted Indolin-3-ones","Journal of Organic Chemistry","2011","76","","7551","7555","10.1021/jo201123p","","","0.71073","MoKα","","0.1578","0.0544","","","0.0499","0.0642","","","","","","0.967","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026573","8.663","0.011","9.218","0.011","12.471","0.015","82.408","0.012","80.41","0.013","77.913","0.014","955","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O3 -","- C19 H16 Br N O3 -","- C38 H32 Br2 N2 O6 -","2","1","","Yao-Zong Liu; Jie Zhang; Peng-Fei Xu; Yong-Chun Luo","Organocatalytic Asymmetric Michael Addition of 1-Acetylindolin-3-ones to α,β-Unsaturated Aldehydes: Synthesis of 2-Substituted Indolin-3-ones","Journal of Organic Chemistry","2011","76","","7551","7555","10.1021/jo201123p","","","0.71073","MoKα","","0.1165","0.0538","","","0.1157","0.1368","","","","","","1.027","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026574","8.85","0.002","8.977","0.002","14.964","0.004","92.095","0.005","95.857","0.005","93.976","0.005","1178.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Pentamethylphenylchromene 5Ch","Pentamethylphenylchromene 5Ch","","- C32 H30 O -","- C32 H30 O -","- C64 H60 O2 -","2","1","","Susovan Mandal; Keshaba Nanda Parida; Subhas Samanta; Jarugu Narasimha Moorthy","Influence of (2,3,4,5,6-Pentamethyl/phenyl)phenyl Scaffold: Stereoelectronic Control of the Persistence of o-Quinonoid Reactive Intermediates of Photochromic Chromenes","Journal of Organic Chemistry","2011","76","","7406","7414","10.1021/jo201144t","","","0.71073","MoKα","","0.1323","0.0875","","","0.2187","0.2739","","","","","","1.442","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026575","5.2154","0.0003","11.7483","0.0006","21.7737","0.0015","90","","90","","90","","1334.12","0.14","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4S,5R)-5-(benzyloxy)-4-methyl-1,2,3-oxathiazepane 2,2-dioxide","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C48 H68 N4 O16 S4 -","4","1","","Guillaume Malik; Audrey Estéoule; Pascal Retailleau; Philippe Dauban","Aziridines from Intramolecular Alkene Aziridination of Sulfamates: Reactivity toward Carbon Nucleophiles. Application to the Synthesis of Spisulosine and Its Fluoro Analogue","Journal of Organic Chemistry","2011","76","","7438","7448","10.1021/jo201209x","","","1.54187","CuKα","","0.0954","0.0664","","","0.1615","0.2044","","","","","","1.203","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026576","8.481","0.0004","11.2846","0.0005","15.6157","0.0011","90","","90","","90","","1494.5","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(4S,5R)-5-fluoro-4-methyl-3-tosyl-1,2,3-oxathiazepane 2,2-dioxide","","- C12 H16 F N O5 S2 -","- C12 H16 F N O5 S2 -","- C48 H64 F4 N4 O20 S8 -","4","1","","Guillaume Malik; Audrey Estéoule; Pascal Retailleau; Philippe Dauban","Aziridines from Intramolecular Alkene Aziridination of Sulfamates: Reactivity toward Carbon Nucleophiles. Application to the Synthesis of Spisulosine and Its Fluoro Analogue","Journal of Organic Chemistry","2011","76","","7438","7448","10.1021/jo201209x","","","1.54187","CuKα","","0.0413","0.0353","","","0.0897","0.1081","","","","","","1.095","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026577","9.7329","0.0001","21.7097","0.0003","9.7718","0.0001","90","","94.5024","0.0011","90","","2058.39","0.04","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C44 H40 Cl3 F6 N2 P -","- C44 H40 Cl3 F6 N2 P -","- C88 H80 Cl6 F12 N4 P2 -","2","1","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","x-ray","1.54184","CuKα","","0.0507","0.0433","","","0.1054","0.1101","","","","","","1.045","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026578","8.4419","0.0005","13.7473","0.0008","24.4406","0.0014","90","","90","","90","","2836.4","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Cl N2 Si2 -","- C25 H37 Cl N2 Si2 -","- C100 H148 Cl4 N8 Si8 -","4","1","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","","","0.0441","0.0354","","","0.0961","0.1101","","","","","","1.15","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026579","34.92","0.005","9.8441","0.0015","16.837","0.002","90","","116.653","0.002","90","","5172.8","1.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","Dan Eddings Ag-1","Silver(I) chloride complex with chiral (all R) pyrazol","","- C31 H28 Ag Cl N2 -","- C31 H28 Ag Cl N2 -","- C248 H224 Ag8 Cl8 N16 -","8","2","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","MoKα","","0.0634","0.0409","","","0.0753","0.0857","","","","","","0.998","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026580","15.7516","0.0011","11.2673","0.0008","14.1985","0.001","90","","115.097","0.001","90","","2282","0.3","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Chiral Cu(I)-Cl-pyrazolyl-complex","","- C53 H58 Cl Cu N2 O -","- C53 H58 Cl Cu N2 O -","- C106 H116 Cl2 Cu2 N4 O2 -","2","0.5","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","MoKα","","0.0579","0.0438","","","0.1031","0.1118","","","","","","1.03","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026581","27.263","0.008","19.99","0.007","16.688","0.007","90","","103.53","0.02","90","","8842","6","164","2","164","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C134 H126 N6 Zn -","- C64 H46 N6 Zn -","- C256 H184 N24 Zn4 -","4","1","","Soumen K. Samanta; Debabrata Samanta; Jan W. Bats; Michael Schmittel","DABCO as a Dynamic Hinge between Cofacial Porphyrin Panels and Its Tumbling inside a Supramolecular Cavity","Journal of Organic Chemistry","2011","76","","7466","7473","10.1021/jo201252q","","","0.71073","MoKα","","0.1918","0.0843","","","0.1712","0.1956","","","","","","0.899","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026582","8.41","0.0017","10.721","0.002","15.596","0.003","90","","90","","90","","1406.2","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C64 H64 N16 O4 -","4","1","","Na Shao; Guang-Xian Pang; Cai-Xia Yan; Gao-Feng Shi; Ying Cheng","Reaction of β-Lactam Carbenes with 2-Pyridyl Isonitriles: A One-Pot Synthesis of 2-Carbonyl-3-(pyridylamino)imidazo[1,2-a]pyridines Useful as Fluorescent Probes for Mercury Ion","Journal of Organic Chemistry","2011","76","","7458","7465","10.1021/jo201273p","","","0.71073","MoKα","","0.042","0.0403","","","0.0956","0.097","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026583","5.9038","0.0006","7.6357","0.0009","11.8298","0.0014","78.482","0.007","82.754","0.007","88.56","0.007","518.37","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Spiro[[1,3]dioxolane-2,7'-tricyclo[6.3.0.0^2,6^]undeca- 1(8),2(6)-diene]","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0598","0.0404","","","0.095","0.1053","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026584","7.532","0.0004","15.8313","0.0008","18.9055","0.001","90","","90","","90","","2254.3","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","12,12-Dibromotetracyclo[6.3.1.0^1,8^.0^2,6^]dodec-2(6)-en-7-one","","- C12 H12 Br2 O -","- C12 H12 Br2 O -","- C96 H96 Br16 O8 -","8","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0427","0.0226","","","0.0475","0.0551","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026585","8.1835","0.0003","9.9975","0.0004","14.7884","0.0006","90","","102.036","0.002","90","","1183.31","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","12,12-Dibromo-7-methylenetetracyclo[6.3.1.0^1,8^.0^2,6^]dodec- 2(6)-ene","","- C13 H14 Br2 -","- C13 H14 Br2 -","- C52 H56 Br8 -","4","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0544","0.0302","","","0.056","0.0625","","","","","","1.004","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026586","11.985","0.001","9.94","0.001","21.337","0.002","90","","97.1","0.01","90","","2522.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-bis(4-methoxyphenyl)-2-(o-tolyl)-5-(p-tolyl)-thiophen","","- C32 H28 O2 S -","- C32 H28 O2 S -","- C128 H112 O8 S4 -","4","1","","Alireza Rahimi; Jan C. Namyslo; Martin H. H. Drafz; Julian Halm; Eike Hübner; Martin Nieger; Nicola Rautzenberg; Andreas Schmidt","Selective Mono- to Perarylations of Tetrabromothiophene by a Cyclobutene-1,2-diylbisimidazolium Preligand","Journal of Organic Chemistry","2011","76","","7316","7325","10.1021/jo201317t","","","0.71073","MoKα","","0.0686","0.0468","","","0.0991","0.1086","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026587","14.5401","0.0015","15.8885","0.0015","18.4527","0.0015","86.76","0.005","79.926","0.005","64.92","0.005","3800.8","0.6","143","1","143","1","","","","","","","","4","P 1","P 1","1","","","","- C31 H60 O7 Si2 -","- C31 H60 O7 Si2 -","- C124 H240 O28 Si8 -","4","4","","Venkata Velvadapu; Tapas Paul; Bharat Wagh; Ian Glassford; Charles DeBrosse; Rodrigo B. Andrade","Total Synthesis of (-)-4,8,10-Tridesmethyl Telithromycin","Journal of Organic Chemistry","2011","76","","7516","7527","10.1021/jo201319b","","","0.71073","MoKα","","0.0944","0.077","","","0.1958","0.2169","","","","","","1.117","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026588","16.607","0.003","5.175","0.001","21.855","0.004","90","","90.73","0.03","90","","1878.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Michał Michalak; Karol Michalak; Zofia Urbanczyk-Lipkowska; Jerzy Wicha","Synthetic Studies on Dicyclopenta[a,d]cyclooctane Terpenoids: Construction of the Core Structure of Fusicoccins and Ophiobolins on the Route Involving a Wagner-Meerwein Rearrangement","Journal of Organic Chemistry","2011","76","","7497","7509","10.1021/jo201357p","","","1.54178","CuKα","","0.2426","0.0656","","","0.1422","0.1883","","","","","","1.024","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026589","27.836","0.004","8.721","0.0006","10.6844","0.0011","90","","90.219","0.01","90","","2593.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N2 O7 -","- C27 H36 N2 O7 -","- C108 H144 N8 O28 -","4","1","","Michał Michalak; Karol Michalak; Zofia Urbanczyk-Lipkowska; Jerzy Wicha","Synthetic Studies on Dicyclopenta[a,d]cyclooctane Terpenoids: Construction of the Core Structure of Fusicoccins and Ophiobolins on the Route Involving a Wagner-Meerwein Rearrangement","Journal of Organic Chemistry","2011","76","","7497","7509","10.1021/jo201357p","","","0.71073","MoKα","","0.0544","0.0336","","","0.0652","0.0693","","","","","","0.881","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026590","14.206","0.018","8.077","0.01","29.35","0.04","90","","104.131","0.012","90","","3266","7","123","2","123","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C39 H12 F15 N5 -","- C39 H12 F15 N5 -","- C156 H48 F60 N20 -","4","1","","Motoki Toganoh; Yasunori Kawabe; Hiroyuki Furuta","C-Fused Norrole: A Fused Corrole Isomer Bearing a N,C-Linked Bipyrrole Unit","Journal of Organic Chemistry","2011","76","","7618","7622","10.1021/jo2014017","","","0.71069","MoKa","","0.1777","0.1182","","","0.3171","0.3758","","","","","","1.049","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026591","28.261","0.004","7.783","0.001","13.361","0.002","90","","102.794","0.005","90","","2865.9","0.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C120 H136 N8 O40 -","8","1","","Silong Xu; Rongshun Chen; Zhengjie He","PBu3-Mediated Vinylogous Wittig Reaction of α-Methyl Allenoates with Aldehydes and Mechanistic Investigations","Journal of Organic Chemistry","2011","76","","7528","7538","10.1021/jo201466k","","","0.71075","MoKα","","0.0479","0.0387","","","0.1049","0.1095","","","","","","0.995","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026592","10.0199","0.0004","7.6276","0.0003","12.0388","0.0005","90","","102.113","0.002","90","","899.61","0.06","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O -","- C24 H22 O -","- C48 H44 O2 -","2","1","","Chin-Chau Chen; Shyh-Chyun Yang; Ming-Jung Wu","Palladium-Catalyzed Annulation of 2-(1-Alkynyl)biphenyls with Aryl Iodides to Disubstituted Methylidenefluorenes.","Journal of Organic Chemistry","2011","76","","7631","7631","10.1021/jo9017556","","","0.71073","MoKα","","0.0612","0.0497","","","0.1222","0.1394","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026593","11.8911","0.0003","9.3355","0.0003","19.5017","0.0007","90","","104.559","0.001","90","","2095.36","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C108 H76 N4 O12 -","4","1","","Chin-Chau Chen; Shyh-Chyun Yang; Ming-Jung Wu","Palladium-Catalyzed Annulation of 2-(1-Alkynyl)biphenyls with Aryl Iodides to Disubstituted Methylidenefluorenes.","Journal of Organic Chemistry","2011","76","","7631","7631","10.1021/jo9017556","","","0.71073","MoKα","","0.1426","0.0669","","","0.1564","0.2017","","","","","","1.03","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026594","14.7109","0.0006","7.5521","0.0004","12.9338","0.0006","90","","89.922","0.004","90","","1436.92","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O5 S -","- C15 H12 O5 S -","- C60 H48 O20 S4 -","4","1","","Ganesh Chandra Nandi; Subhasis Samai; Maya Shankar Singh","One-Pot Two-Component [3 + 2] Cycloaddition/Annulation Protocol for the Synthesis of Highly Functionalized Thiophene Derivatives","Journal of Organic Chemistry","2011","76","","8009","8014","10.1021/jo200685e","","","0.71073","MoKα","","0.0799","0.0497","","","0.1017","0.1175","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026595","9.184","0.0012","9.445","0.0013","26.482","0.003","90","","90","","90","","2297.1","0.5","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br N O3 P S -","- C23 H21 Br N O3 P S -","- C92 H84 Br4 N4 O12 P4 S4 -","4","1","","Peizhong Xie; Liye Wang; Lihua Yang; Erqing Li; Jianze, Ma; You Huang; Ruyu Chen","Domino Reaction for the Chemo- and Stereoselective Synthesis of trans-2,3-Dihydrobenzofurans from N-Thiophosphinyl Imines and Sulfur Ylides","Journal of Organic Chemistry","2011","76","","7699","7705","10.1021/jo2008737","","","0.71075","MoKα","","0.0354","0.0279","","","0.0523","0.0542","","","","","","0.897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026596","5.9628","0.0005","11.7329","0.0009","13.0844","0.001","101.225","0.001","94.5613","0.0009","103.631","0.001","865.01","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O5 -","- C19 H20 N4 O5 -","- C38 H40 N8 O10 -","2","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.0553","0.0387","","","0.0919","0.1003","","","","","","1.033","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026597","16.0264","0.0007","5.8","0.0003","22.8485","0.0011","90","","90","","90","","2123.84","0.18","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.0346","0.031","","","0.0761","0.0787","","","","","","1.026","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026598","28.416","0.005","11.6122","0.0019","12.493","0.002","90","","113.211","0.003","90","","3788.7","1.1","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 B F4 N O -","- C20 H24 B F4 N O -","- C160 H192 B8 F32 N8 O8 -","8","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.1033","0.0621","","","0.1511","0.1783","","","","","","1.055","","","","has coordinates,has disorder","178444","2020-10-21","18:00:00",""
"4026599","8.5484","0.0007","11.9015","0.001","17.2138","0.0014","98.08","0.001","103.382","0.001","106.809","0.001","1590","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(4S,4aS,10bR)-4-(4-bromophenyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isochromene","","- C19 H19 Br O -","- C19 H19 Br O -","- C76 H76 Br4 O4 -","4","2","","B. V. Subba Reddy; Prashant Borkar; J. S. Yadav; B. Sridhar; René Grée","Tandem Prins/Friedel-Crafts Cyclization for Stereoselective Synthesis of Heterotricyclic Systems","Journal of Organic Chemistry","2011","76","","7677","7690","10.1021/jo201027u","","","0.71073","MoKα","","0.0882","0.051","","","0.1429","0.1726","","","","","","1.019","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026600","6.4953","0.0005","23.3341","0.0019","14.4367","0.0012","90","","99.956","0.001","90","","2155.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4S,4aR,10bR)-4-isobutyl-3-tosyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f] isoquinoline","","- C24 H31 N O2 S -","- C24 H31 N O2 S -","- C96 H124 N4 O8 S4 -","4","1","","B. V. Subba Reddy; Prashant Borkar; J. S. Yadav; B. Sridhar; René Grée","Tandem Prins/Friedel-Crafts Cyclization for Stereoselective Synthesis of Heterotricyclic Systems","Journal of Organic Chemistry","2011","76","","7677","7690","10.1021/jo201027u","","x-ray","0.71073","MoKα","","0.0432","0.0392","","","0.1078","0.112","","","","","","1.023","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026601","12.988","0.002","9.8609","0.0015","13.352","0.002","90","","116.27","0.002","90","","1533.4","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4S,4aS,10bR)-4-(2-fluorophenyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo [f]isothiochromene","","- C19 H19 F S -","- C19 H19 F S -","- C76 H76 F4 S4 -","4","1","","B. V. Subba Reddy; Prashant Borkar; J. S. Yadav; B. Sridhar; René Grée","Tandem Prins/Friedel-Crafts Cyclization for Stereoselective Synthesis of Heterotricyclic Systems","Journal of Organic Chemistry","2011","76","","7677","7690","10.1021/jo201027u","","","0.71073","MoKα","","0.0471","0.0389","","","0.104","0.1106","","","","","","1.015","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026602","6.7734","0.0004","6.7395","0.0004","11.0228","0.0007","90","","99.636","0.003","90","","496.08","0.05","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","","Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský","A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers","Journal of Organic Chemistry","2011","76","","7781","7803","10.1021/jo201110z","","","0.71073","MoKα","","0.0279","0.0273","","0.0704","0.0699","0.0704","","","","","","0.9544","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026603","6.763","0.006","6.781","0.004","11.095","0.011","90","","99.41","0.04","90","","502","0.7","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C22 H28 O8 -","2","1","","Jan Štambaský; Vojtěch Kapras; Martin Štefko; Ondřej Kysilka; Michal Hocek; Andrei V. Malkov; Pavel Kočovský","A Modular Approach to Aryl-C-ribonucleosides via the Allylic Substitution and Ring-Closing Metathesis Sequence. A Stereocontrolled Synthesis of All Four α-/β- and d-/l-C-Nucleoside Stereoisomers","Journal of Organic Chemistry","2011","76","","7781","7803","10.1021/jo201110z","","","0.71073","MoKα","","0.0409","0.0347","","0.0937","0.09","0.0937","","","","","","1.0041","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026604","8.5679","0.0008","9.5677","0.0009","26.71","0.003","91.99","0.005","92.44","0.005","105.731","0.004","2103.2","0.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Br I N O3 S -","- C22 H17 Br I N O3 S -","- C88 H68 Br4 I4 N4 O12 S4 -","4","2","","Prasath Kothandaraman; Srinivasa Reddy Mothe; Sharon Si Min Toh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerizations of 1-(2-(Tosylamino)phenyl)prop-2-yn-1-ols to 1H-Indole-2-carbaldehydes and (E)-2-(Iodomethylene)indolin-3-ols","Journal of Organic Chemistry","2011","76","","7633","7640","10.1021/jo201208e","","","0.71073","MoKα","","0.061","0.038","","","0.0993","0.123","","","","","","1.027","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026605","7.68545","0.00015","16.9437","0.0003","9.7925","0.0002","90","","103.049","0.0012","90","","1242.25","0.04","277.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H10 O -","- C42 H20 O2 -","- C84 H40 O4 -","2","0.5","","Toru Amaya; Maiko Hifumi; Michiaki Okada; Yasutomo Shimizu; Toshiyuki Moriuchi; Kouji Segawa; Yoichi Ando; Toshikazu Hirao","Synthesis of Oxosumanenes through Benzylic Oxidation","Journal of Organic Chemistry","2011","76","","8049","8052","10.1021/jo2012412","","","1.54187","CuKα","","","0.0404","","","","0.1266","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026606","14.723","0.002","9.6367","0.0014","10.5485","0.0016","90","","118.305","0.003","90","","1317.7","0.3","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.1417","0.1405","","","0.344","0.3471","","","","","","1.666","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026607","6.8763","0.0004","8.0599","0.0005","9.6919","0.0005","69.981","0.001","73.382","0.001","68.996","0.001","462.92","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl N O3 -","- C8 H10 Cl N O3 -","- C16 H20 Cl2 N2 O6 -","2","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.0336","0.033","","","0.0928","0.0939","","","","","","1.145","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026608","5.043","0.0003","8.4238","0.0006","12.5243","0.0009","105.625","0.001","100.485","0.001","95.56","0.001","497.81","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Cl N O6 -","- C8 H8 Cl N O6 -","- C16 H16 Cl2 N2 O12 -","2","1","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.0351","0.0339","","","0.0936","0.0952","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026609","5.0962","0.0003","15.5577","0.001","11.4752","0.0008","90","","95.944","0.001","90","","904.92","0.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 F6 N2 O4 P -","- C16 H15 F6 N2 O4 P -","- C32 H30 F12 N4 O8 P2 -","2","0.5","","Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal","Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution","Journal of Organic Chemistry","2011","76","","7860","7865","10.1021/jo201268p","","","0.71073","MoKα","","0.0493","0.0464","","","0.1221","0.1246","","","","","","1.047","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026610","10.244","0.003","9.692","0.009","13.701","0.015","90","","97.53","0.08","90","","1349","2","293","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H39 N O7 -","- C25 H39 N O7 -","- C50 H78 N2 O14 -","2","1","","Sylvain Dalençon; Ramzi Aït Youcef; Muriel Pipelier; Vincent Maisonneuve; Didier Dubreuil; François Huet; Stéphanie Legoupy","Asymmetric Synthesis of Cyclohexene Nucleoside Analogues","Journal of Organic Chemistry","2011","76","","8059","8063","10.1021/jo2012708","","","0.71069","MoKα","","0.0444","0.037","","","0.1139","0.1295","","","","","","1.216","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026611","13.5962","0.0002","9.71266","0.00013","14.3697","0.0002","90","","110.34","0.0018","90","","1779.27","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17.5 H18 Cl N3 O S -","- C17.5 H18 Cl N3 O S -","- C70 H72 Cl4 N12 O4 S4 -","4","2","","Hong Li; Junling Zhao; Lili Zeng; Wenhui Hu","Organocatalytic Asymmetric Domino Aza-Michael-Mannich Reaction: Synthesis of Tetrahydroimidazopyrimidine Derivatives","Journal of Organic Chemistry","2011","76","","8064","8069","10.1021/jo201301p","","","1.54184","CuKα","","0.058","0.0557","","","0.1662","0.1696","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026612","8.267","0.0006","10.4877","0.0007","14.6808","0.001","90","","102.9","0.001","90","","1240.73","0.15","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","AQ-PNA-imine","","","- C28 H26 N2 O8 -","- C28 H26 N2 O8 -","- C56 H52 N4 O16 -","2","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.0385","0.0327","","","0.0702","0.0729","","","","","","1.034","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026613","7.6426","0.0007","22.219","0.002","30.684","0.003","90","","90","","90","","5210.5","0.8","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","AQ-pyrrole-imine","","","- C32 H30 N2 O6 -","- C32 H30 N2 O6 -","- C256 H240 N16 O48 -","8","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.1129","0.0662","","","0.1742","0.2038","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026614","8.1074","0.0007","14.536","0.0012","14.9857","0.0013","102.455","0.001","90.541","0.001","104.692","0.001","1664.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[AQ-PNA-Ca](ClO4)2.CH2Cl2","","","- C29 H28 Ca Cl4 N2 O16 -","- C29 H28 Ca Cl4 N2 O16 -","- C58 H56 Ca2 Cl8 N4 O32 -","2","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.1051","0.074","","","0.1751","0.1948","","","","","","1.055","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026615","9.3014","0.0008","13.5621","0.0012","14.1567","0.0012","95.96","0.001","105.159","0.001","107.333","0.001","1613.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[AQ-PNA-Zn(H2O)6](ClO4)2.MeOH","","","- C58 H70 Cl2 N4 O32 Zn -","- C58 H70 Cl2 N4 O32 Zn -","- C58 H70 Cl2 N4 O32 Zn -","1","0.5","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.0614","0.0478","","","0.1279","0.1365","","","","","","1.05","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026616","6.7216","0.0003","12.7333","0.0006","22.619","0.0009","96.252","0.004","95.176","0.003","98.664","0.004","1891.21","0.15","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","2","","Christopher C. Nawrat; William Lewis; Christopher J. Moody","Synthesis of Amino-1,4-benzoquinones and Their Use in Diels-Alder Approaches to the Aminonaphthoquinone Antibiotics","Journal of Organic Chemistry","2011","76","","7872","7881","10.1021/jo201320g","","","1.5418","CuKα","","0.0652","0.0417","","","0.1025","0.1095","","","","","","1.033","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026617","12.2643","0.001","12.6227","0.001","12.7582","0.0011","63.662","0.001","64.383","0.001","67.539","0.001","1551.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N O8 -","- C34 H44 N O8 -","- C68 H88 N2 O16 -","2","1","","Alexey Yu. Sukhorukov; Yaroslav D. Boyko; Sema L. Ioffe; Yulia A. Khomutova; Yulia V. Nelyubina; Vladimir A. Tartakovsky","Synthesis of PDE IVb Inhibitors. 1. Asymmetric Synthesis and Stereochemical Assignment of (+)- and (-)-7-[3-(Cyclopentyloxy)-4-methoxyphenyl]hexahydro-3H-pyrrolizin-3-one","Journal of Organic Chemistry","2011","76","","7893","7900","10.1021/jo201331h","","","0.71073","MoKα","","0.0701","0.0542","","","0.1655","0.1761","","","","","","1.173","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026618","35.0455","0.0006","12.5496","0.0002","19.7679","0.0003","90","","100.514","0.001","90","","8548.1","0.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H106.5 Cl2 Fe2 O0.25 P2 Pd2 -","- C103 H106.5 Cl2 Fe2 O0.25 P2 Pd2 -","- C412 H426 Cl8 Fe8 O P8 Pd8 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.1305","0.071","","","0.1491","0.1712","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026619","13.6434","0.0002","12.8194","0.0002","28.0436","0.0006","90","","94.574","0.001","90","","4889.21","0.15","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 Cl Fe O P Pd -","- C54 H58 Cl Fe O P Pd -","- C216 H232 Cl4 Fe4 O4 P4 Pd4 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.0705","0.0523","","","0.1237","0.1346","","","","","","1.072","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026620","19.8783","0.0003","13.281","0.0002","20.8125","0.0003","90","","117.685","0.001","90","","4865.53","0.13","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 Cl3 Fe P Pd -","- C58 H58 Cl3 Fe P Pd -","- C232 H232 Cl12 Fe4 P4 Pd4 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.1187","0.0743","","","0.1859","0.2139","","","","","","1.053","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026621","46.1658","0.0007","9.0679","0.0001","16.6947","0.0003","90","","97.287","0.001","90","","6932.4","0.18","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H63 Br P2 Pd2 -","- C29 H63 Br P2 Pd2 -","- C232 H504 Br8 P16 Pd16 -","8","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.138","0.1222","","","0.323","0.3304","","","","","","1.134","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026622","11.0812","0.0001","21.903","0.0002","18.6529","0.0002","90","","106.809","0.001","90","","4333.84","0.08","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H70 Cl3 N2 P2 Pd2 -","- C39 H70 Cl3 N2 P2 Pd2 -","- C156 H280 Cl12 N8 P8 Pd8 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.0819","0.0542","","","0.1582","0.177","","","","","","1.025","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026623","11.0675","0.0002","21.9913","0.0005","18.8256","0.0004","90","","106.785","0.001","90","","4386.73","0.16","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H70 Br Cl2 N2 P2 Pd2 -","- C39 H70 Br Cl2 N2 P2 Pd2 -","- C156 H280 Br4 Cl8 N8 P8 Pd8 -","4","1","","Carin C. C. Johansson Seechurn; Sébastien L. Parisel; Thomas J. Colacot","Air-Stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) Systems for C-C/N Couplings: Insight into the Structure-Activity Relationship and Catalyst Activation Pathway","Journal of Organic Chemistry","2011","76","","7918","7932","10.1021/jo2013324","","","0.71073","MoKα","","0.0769","0.0451","","","0.1363","0.1419","","","","","","1.014","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026624","10.047","0.002","17.143","0.004","11.731","0.003","90","","112.708","0.003","90","","1863.9","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Jake R. Zimmerman; Madhuri Manpadi; Russell Spatney; Aaron Baker","Diastereoselective Tin-Free Tandem Radical Additions to 3-Formylchromones","Journal of Organic Chemistry","2011","76","","8076","8081","10.1021/jo201350w","","x-ray","0.71073","MoKα","","0.0577","0.039","","","0.0888","0.0989","","","","","","1.029","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026625","9.492","0.0002","24.5859","0.0006","7.0468","0.0002","90","","106.572","0.001","90","","1576.2","0.07","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 O5 -","- C22 H12 O5 -","- C88 H48 O20 -","4","1","","Jalindar Padwal; William Lewis; Christopher J. Moody","Synthesis of Balsaminone A, a Naturally Occurring Pentacyclic Dinaphthofuran Quinone","Journal of Organic Chemistry","2011","76","","8082","8087","10.1021/jo201395n","","","0.71073","MoKα","","0.0477","0.0455","","","0.1158","0.1175","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026626","4.47983","0.00016","16.7729","0.0006","29.5976","0.0012","90","","90","","90","","2223.96","0.14","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H19 N O5 -","- C30 H19 N O5 -","- C120 H76 N4 O20 -","4","1","","Jalindar Padwal; William Lewis; Christopher J. Moody","Synthesis of Balsaminone A, a Naturally Occurring Pentacyclic Dinaphthofuran Quinone","Journal of Organic Chemistry","2011","76","","8082","8087","10.1021/jo201395n","","","1.5418","CuKα","","0.0528","0.0472","","","0.127","0.131","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026627","9.7389","0.0002","9.7389","0.0002","20.8131","0.0003","90","","90","","90","","1974.04","0.06","291","2","291","2","","","","","","","","4","P 43","P 4cw","78","","","","- C25 H22 O S -","- C25 H22 O S -","- C100 H88 O4 S4 -","4","1","","Zhen-Tao Weng; Yuan Li; Shi-Kai Tian","Catalytic Asymmetric α-Alkylation of Ketones and Aldehydes with N-Benzylic Sulfonamides through Carbon-Nitrogen Bond Cleavage","Journal of Organic Chemistry","2011","76","","8095","8099","10.1021/jo2014142","","","0.71073","MoKα","","0.0472","0.0367","","","0.071","0.0749","","","","","","1.071","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026628","13.9956","0.00018","12.47921","0.00018","18.4248","0.0002","90","","95.152","0.0012","90","","3204.96","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H13 B F21 N -","- C36 H13 B F21 N -","- C144 H52 B4 F84 N4 -","4","1","","Michael T. Scerba; Christopher M. Leavitt; Matthew E. Diener; Andrew F. DeBlase; Timothy L. Guasco; Maxime A. Siegler; Nathaniel Bair; Mark A. Johnson; Thomas Lectka","NH±F Hydrogen Bonding in a Fluorinated ""Proton Sponge"" Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies","Journal of Organic Chemistry","2011","76","","7975","7984","10.1021/jo2015328","","","0.71073","MoKα","","0.0423","0.0288","","","0.0715","0.0742","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026629","7.0024","0.00017","19.7499","0.0003","10.8637","0.0003","90","","107.618","0.002","90","","1431.94","0.06","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F4 N O3 S -","- C13 H13 F4 N O3 S -","- C52 H52 F16 N4 O12 S4 -","4","1","","Michael T. Scerba; Christopher M. Leavitt; Matthew E. Diener; Andrew F. DeBlase; Timothy L. Guasco; Maxime A. Siegler; Nathaniel Bair; Mark A. Johnson; Thomas Lectka","NH±F Hydrogen Bonding in a Fluorinated ""Proton Sponge"" Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies","Journal of Organic Chemistry","2011","76","","7975","7984","10.1021/jo2015328","","","0.71073","MoKα","","0.0507","0.0367","","","0.0957","0.0993","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026630","11.7228","0.0003","8.8692","0.0002","19.6265","0.0005","90","","92.392","0.002","90","","2038.83","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H7 B Br6 F2 N2 O -","- C16 H7 B Br6 F2 N2 O -","- C64 H28 B4 Br24 F8 N8 O4 -","4","1","","Vellanki Lakshmi; Mangalampalli Ravikanth","Synthesis of Sterically Crowded Polyarylated Boron-Dipyrromethenes","Journal of Organic Chemistry","2011","76","","8466","8471","10.1021/jo2010022","","","0.71073","MoKα","","0.0483","0.0379","","","0.0954","0.0968","","","","","","1.082","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026631","11.0139","0.0016","12.3936","0.0018","15.85","0.002","94.355","0.012","105.382","0.013","108.271","0.013","1950.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H37 B F2 N2 O -","- C52 H37 B F2 N2 O -","- C104 H74 B2 F4 N4 O2 -","2","1","","Vellanki Lakshmi; Mangalampalli Ravikanth","Synthesis of Sterically Crowded Polyarylated Boron-Dipyrromethenes","Journal of Organic Chemistry","2011","76","","8466","8471","10.1021/jo2010022","","","0.71073","MoKα","","0.1837","0.0483","","","0.0885","0.1099","","","","","","0.658","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026632","10.1147","0.0002","15.1214","0.0002","17.1572","0.0003","90","","90","","90","","2624.17","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl3 N3 O2 -","- C26 H30 Cl3 N3 O2 -","- C104 H120 Cl12 N12 O8 -","4","1","","Emmanuel Riguet","Enantioselective Organocatalytic Friedel-Crafts Alkylation Reaction of Indoles with 5-Hydroxyfuran-2(5H)-one: Access to Chiral γ-Lactones and γ-Lactams via a Ugi 4-Center 3-Component Reaction","Journal of Organic Chemistry","2011","76","","8143","8150","10.1021/jo201184p","","","1.5418","CuKα","","0.0471","0.0407","","","0.1016","0.1071","","","","","","1.033","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026633","9.7843","0.0004","9.8972","0.0003","15.4313","0.0006","72.086","0.002","79.301","0.002","70.5","0.002","1334.57","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0746","0.037","","","0.0781","0.1009","","","","","","0.802","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026634","13.6037","0.001","11.6379","0.0009","7.3569","0.0004","90","","90","","90","","1164.73","0.14","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0504","0.0312","","","0.0562","0.0582","","","","","","0.856","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026635","6.6242","0.0002","21.6424","0.0006","8.2186","0.0003","90","","104.05","0.001","90","","1143","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0319","0.0227","","","0.0511","0.0523","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026636","7.4166","0.0006","6.8485","0.0007","20.6409","0.0016","90","","100.035","0.005","90","","1032.37","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.097","0.0445","","","0.0945","0.1158","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026637","24.9655","0.001","3.8349","0.0001","26.7584","0.001","90","","115.488","0.005","90","","2312.52","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N6 O4 -","- C26 H22 N6 O4 -","- C104 H88 N24 O16 -","4","0.5","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0605","0.0418","","","0.1083","0.1121","","","","","","0.938","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026638","24.398","0.004","3.8017","0.0006","26.608","0.004","90","","113.302","0.006","90","","2266.7","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C96 H88 N24 O32 -","8","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.1106","0.078","","","0.2111","0.2312","","","","","","1.131","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026639","27.454","0.002","13.7918","0.0012","6.666","0.0006","90","","98.678","0.003","90","","2495.1","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C120 H104 N24 O8 -","8","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.236","0.1095","","","0.2136","0.2988","","","","","","1.032","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026640","15.851","0.0003","31.365","0.001","13.622","0.0004","90","","119.405","0.001","90","","5899.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 N6 O8.5 -","- C26 H37 N6 O8.5 -","- C208 H296 N48 O68 -","8","1","","Felipe Reviriego; Pilar Navarro; Vicente J. Arán; Maria Luisa Jimeno; Enrique García-España; Julio Latorre; Maria J. R. Yunta","Hydrogen-Bond-Mediated Self-Assembly of 26-Membered Diaza Tetraester Crowns of 3,5-Disubstituted 1H-Pyrazole. Dimerization Study in the Solid State and in CDCl3 Solution","Journal of Organic Chemistry","2011","76","","8223","8231","10.1021/jo2012835","","","0.71073","MoKα","","0.0972","0.0569","","","0.168","0.2075","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026641","13.107","0.0002","13.107","0.0002","30.351","0.0007","90","","90","","90","","5214.1","0.16","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","pzmet","","","- C22 H29 N7 O8 -","- C22 H29 N7 O8 -","- C176 H232 N56 O64 -","8","0.5","","Felipe Reviriego; Pilar Navarro; Vicente J. Arán; Maria Luisa Jimeno; Enrique García-España; Julio Latorre; Maria J. R. Yunta","Hydrogen-Bond-Mediated Self-Assembly of 26-Membered Diaza Tetraester Crowns of 3,5-Disubstituted 1H-Pyrazole. Dimerization Study in the Solid State and in CDCl3 Solution","Journal of Organic Chemistry","2011","76","","8223","8231","10.1021/jo2012835","","","0.71073","MoKα","","0.0979","0.0584","","","0.1892","0.2266","","","","","","1.047","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026642","3.9864","0.0003","21.6026","0.0015","17.7499","0.0014","90","","93.004","0.005","90","","1526.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","James J. Mousseau; James A. Bull; Carolyn L. Ladd; Angélique Fortier; Daniela Sustac Roman; André B. Charette","Synthesis of 2- and 2,3-Substituted Pyrazolo[1,5-a]pyridines: Scope and Mechanistic Considerations of a Domino Direct Alkynylation and Cyclization of N-Iminopyridinium Ylides Using Alkenyl Bromides, Alkenyl Iodides, and Alkynes","Journal of Organic Chemistry","2011","76","","8243","8261","10.1021/jo201303x","","","1.54178","CuKα","","0.0724","0.0586","","","0.1396","0.1519","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026643","15.86","0.003","10.73","0.002","5.8704","0.0012","90","","90","","90","","999","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","James J. Mousseau; James A. Bull; Carolyn L. Ladd; Angélique Fortier; Daniela Sustac Roman; André B. Charette","Synthesis of 2- and 2,3-Substituted Pyrazolo[1,5-a]pyridines: Scope and Mechanistic Considerations of a Domino Direct Alkynylation and Cyclization of N-Iminopyridinium Ylides Using Alkenyl Bromides, Alkenyl Iodides, and Alkynes","Journal of Organic Chemistry","2011","76","","8243","8261","10.1021/jo201303x","","","1.54178","CuKα","","0.1578","0.12","","","0.3536","0.3807","","","","","","1.574","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026644","9.5579","0.0019","14.88","0.003","23.185","0.005","90","","90","","90","","3297.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H38 N6 -","- C40 H38 N6 -","- C160 H152 N24 -","4","0.5","","Brian S. Young; Felix Köhler; Rainer Herges; Michael M. Haley","Phenanthrene-Fused Azo-ene-ynes: Synthesis of Dibenzo[f,h]cinnoline and Dibenzo[e,g]isoindazole Derivatives","Journal of Organic Chemistry","2011","76","","8483","8487","10.1021/jo201378t","","","0.71073","MoKα","","0.0607","0.0433","","","0.0992","0.1104","","","","","","1.045","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026645","9.9417","0.0008","18.6076","0.0015","10.4831","0.0008","90","","118.057","0.003","90","","1711.4","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H30 F6 N P2 Pd Sb -","- C35 H30 F6 N P2 Pd Sb -","- C70 H60 F12 N2 P4 Pd2 Sb2 -","2","1","","Raju Ghosh; Amitabha Sarkar","Palladium-Catalyzed Amination of Allyl Alcohols","Journal of Organic Chemistry","2011","76","","8508","8512","10.1021/jo2014438","","","0.71073","MoKα","","0.0314","0.0282","","","0.069","0.071","","","","","","1.017","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026646","8.7688","0.001","9.716","0.0011","12.439","0.0014","90","","110.073","0.002","90","","995.4","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O7 -","- C20 H27 N O7 -","- C40 H54 N2 O14 -","2","1","","Wenxin Gu; Richard B. Silverman","Stereospecific Total Syntheses of Proteasome Inhibitors Omuralide and Lactacystin","Journal of Organic Chemistry","2011","76","","8287","8293","10.1021/jo201453x","","","0.71073","MoKα","","0.0587","0.0442","","","0.095","0.1024","","","","","","1.074","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026647","8.1023","0.0012","28.568","0.005","7.1293","0.0011","90","","99.235","0.011","90","","1628.8","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-(9H-carbazol-9-yl)phenyl}-5-methyl-1,3,4-oxadiazole","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0617","0.0439","","","0.1007","0.1096","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026648","10.5653","0.0009","15.6361","0.0013","17.4361","0.0015","90","","90","","90","","2880.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4-(9H-carbazol-9-yl)phenyl]-5-(2,4,6-triisopropylphenyl)-1,3,4-oxadiazole","","- C35 H35 N3 O -","- C35 H35 N3 O -","- C140 H140 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0445","0.0392","","","0.0953","0.0986","","","","","","1.048","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026649","11.8018","0.0017","8.7725","0.0013","30.605","0.005","90","","90","","90","","3168.6","0.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-{4-(9H-carbazol-9-yl)phenyl}-5-(2,4,6-tert-butylphenyl)-1,3,4-oxadiazole","","- C38 H41 N3 O -","- C38 H41 N3 O -","- C152 H164 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0681","0.0529","","","0.1119","0.1186","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026650","18.1747","0.0011","9.1474","0.0006","17.9815","0.0013","90","","96.331","0.014","90","","2971.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-(9H-carbazol-9-yl)-3-methylphenyl}-5-(2,4,6-triisopropylphenyl) -1,3,4-oxadiazole","","- C36 H37 N3 O -","- C36 H37 N3 O -","- C144 H148 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0915","0.0415","","","0.0825","0.0966","","","","","","0.868","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026651","5.3312","0.0004","15.3388","0.0008","23.7807","0.0013","90","","92.891","0.003","90","","1942.2","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N2 O7 P -","- C18 H21 N2 O7 P -","- C72 H84 N8 O28 P4 -","4","2","","Bruce S. Ross; P. Ganapati Reddy; Hai-Ren Zhang; Suguna Rachakonda; Michael J. Sofia","Synthesis of Diastereomerically Pure Nucleotide Phosphoramidates","Journal of Organic Chemistry","2011","76","","8311","8319","10.1021/jo201492m","","","0.71073","MoKα","","0.0963","0.0847","","","0.1899","0.1963","","","","","","1.119","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026652","5.2641","0.0006","12.0548","0.0013","16.4307","0.0015","74.96","0.004","83.959","0.004","80.275","0.004","990.4","0.18","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","Bruce S. Ross; P. Ganapati Reddy; Hai-Ren Zhang; Suguna Rachakonda; Michael J. Sofia","Synthesis of Diastereomerically Pure Nucleotide Phosphoramidates","Journal of Organic Chemistry","2011","76","","8311","8319","10.1021/jo201492m","","","0.71073","MoKα","","0.0284","0.0259","","","0.0609","0.0621","","","","","","1.04","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026653","14.795","0.003","11.112","0.003","27.233","0.006","90","","105.434","0.003","90","","4315.7","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 O4 -","- C58 H48 O4 -","- C232 H192 O16 -","4","0.5","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.0801","0.0504","","","0.1224","0.1356","","","","","","1.045","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026654","12.132","0.003","12.907","0.003","28.247","0.007","90","","97.553","0.003","90","","4384.8","1.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 O2 -","- C58 H52 O2 -","- C232 H208 O8 -","4","0.5","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.1027","0.0672","","","0.1638","0.1898","","","","","","1.034","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026655","12.2535","0.0015","12.9462","0.0016","17.695","0.002","107.875","0.001","102.618","0.001","104.479","0.001","2450.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64.9 H44.4 Cl1.4 O5.3 -","- C64.9 H44.4 Cl1.4 O5.3 -","- C129.8 H88.8 Cl2.8 O10.6 -","2","1","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.0709","0.0528","","","0.1274","0.1405","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026656","17.069","0.003","17.705","0.003","18.548","0.005","96.854","0.003","103.899","0.003","117.17","0.002","4667.5","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C103.5 H87 Cl9 O10.5 -","- C103.5 H87 Cl9 O10.5 -","- C207 H174 Cl18 O21 -","2","1","","Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay","Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization","Journal of Organic Chemistry","2011","76","","8355","8363","10.1021/jo201513y","","","0.71073","MoKα","","0.1061","0.0828","","","0.2385","0.2577","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026657","6.149","0.006","16.414","0.016","16.807","0.016","90","","98.426","0.011","90","","1678","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Fang Yang; Ke-Gong Ji; Shaukat Ali; Yong-Min Liang","Sc(OTf)3-Catalyzed Synthesis of Indoles and SnCl4-Mediated Regioselective Hydrochlorination of 5-(Arylamino)pent-3-yn-2-ones","Journal of Organic Chemistry","2011","76","","8329","8335","10.1021/jo201514q","","","0.71073","MoKα","","0.0867","0.0492","","","0.1085","0.1263","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026658","9.299","0.006","26.824","0.018","8.234","0.006","90","","97.284","0.007","90","","2037","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl2 N O -","- C23 H19 Cl2 N O -","- C92 H76 Cl8 N4 O4 -","4","1","","Fang Yang; Ke-Gong Ji; Shaukat Ali; Yong-Min Liang","Sc(OTf)3-Catalyzed Synthesis of Indoles and SnCl4-Mediated Regioselective Hydrochlorination of 5-(Arylamino)pent-3-yn-2-ones","Journal of Organic Chemistry","2011","76","","8329","8335","10.1021/jo201514q","","","0.71073","MoKα","","0.1048","0.0546","","","0.1219","0.1499","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026659","7.0335","0.0005","35.053","0.002","8.2257","0.0006","90","","106.305","0.005","90","","1946.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N O2 S -","- C19 H19 Cl2 N O2 S -","- C76 H76 Cl8 N4 O8 S4 -","4","1","","Zenghui Lu; Wei Kong; Zheliang Yuan; Xueyan Zhao; Gangguo Zhu","Synthesis of Multisubstituted Enamides via Pd-Catalyzed Chloroallylation of Ynamides","Journal of Organic Chemistry","2011","76","","8524","8529","10.1021/jo2015278","","","0.71073","MoKα","","0.1072","0.0497","","","0.1122","0.1288","","","","","","1.036","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026660","10.03","0.006","19.181","0.012","8.34","0.005","90","","90","","90","","1604.5","1.7","295","1","295","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H23 N3 O -","- C16 H23 N3 O -","- C64 H92 N12 O4 -","4","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.0876","0.05","","","0.1299","0.1574","","","","","","1.029","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026661","16.039","0.004","5.6742","0.0014","19.697","0.005","90","","90.295","0.004","90","","1792.6","0.8","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.2349","0.0886","","","0.1531","0.2016","","","","","","1.006","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026662","8.6956","0.0015","5.5642","0.0009","17.425","0.003","90","","92.439","0.004","90","","842.3","0.2","295","1","295","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C34 H34 N6 O6 S2 -","2","1","","Francisco Alonso; Yanina Moglie; Gabriel Radivoy; Miguel Yus","Multicomponent Click Synthesis of 1,2,3-Triazoles from Epoxides in Water Catalyzed by Copper Nanoparticles on Activated Carbon","Journal of Organic Chemistry","2011","76","","8394","8405","10.1021/jo2016339","","","0.71073","MoKα","","0.0961","0.0479","","","0.0809","0.0948","","","","","","0.971","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026663","17.5229","0.0003","15.4122","0.0003","21.8343","0.0004","90","","102.511","0.0008","90","","5756.69","0.18","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C124 H158 B2 N4 Na2 O9 -","- C124 H158 B2 N4 Na2 O9 -","- C248 H316 B4 N8 Na4 O18 -","2","0.5","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1031","0.0657","","","0.1719","0.1967","","","","","","1.049","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026664","17.5568","0.0004","14.9417","0.0002","21.8429","0.0005","90","","103.182","0.0008","90","","5579","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H148 B2 N6 Na2 O7 -","- C120 H148 B2 N6 Na2 O7 -","- C240 H296 B4 N12 Na4 O14 -","2","0.5","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1259","0.0661","","","0.1612","0.1944","","","","","","1.027","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026665","9.843","0.0002","24.0388","0.0005","12.5088","0.0003","90","","99.4843","0.0008","90","","2919.3","0.11","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H80 B Li N2 O5 -","- C64 H80 B Li N2 O5 -","- C128 H160 B2 Li2 N4 O10 -","2","1","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1085","0.066","","","0.154","0.1779","","","","","","1.019","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026666","13.9077","0.0002","14.6294","0.0002","14.6476","0.0003","67.2543","0.0005","74.2008","0.0006","72.7007","0.0005","2581.91","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C112 H134 B2 Li2 N6 O8 -","- C112 H134 B2 Li2 N6 O8 -","- C112 H134 B2 Li2 N6 O8 -","1","0.5","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.1137","0.0669","","","0.1633","0.1869","","","","","","1.031","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026667","10.7435","0.0002","11.5651","0.0002","22.3115","0.0005","90","","90","","90","","2772.2","0.09","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N5 O4 -","- C26 H43 N5 O4 -","- C104 H172 N20 O16 -","4","1","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.0624","0.0431","","","0.0871","0.0956","","","","","","1.038","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026668","7.1044","0.0003","11.6958","0.0005","13.3132","0.0005","84.733","0.004","83.587","0.004","79.155","0.003","1076.82","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Compound 10a","quinoxalino[2,3-c]cinnoline-5-N-oxide","","- C14 H8 N4 O -","- C14 H8 N4 O -","- C56 H32 N16 O4 -","4","2","","Makhluf J. Haddadin; Mirna El-Khatib; Tharallah A. Shoker; Christine M. Beavers; Marilyn M. Olmstead; James C. Fettinger; Kelli M. Farber; Mark J. Kurth","Quinoxalino[2,3-c]cinnolines and Their 5-N-Oxide: Alkoxylation of Methyl-Substituted Quinoxalino[2,3-c]cinnolines to Acetals and Orthoesters","Journal of Organic Chemistry","2011","76","","8421","8427","10.1021/jo201687x","","","0.71073","MoKα","","0.0487","0.043","","","0.1264","0.1305","","","","","","1.043","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026669","28.7457","0.0018","11.6165","0.0008","4.2085","0.0003","90","","90","","90","","1405.32","0.16","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","Compound 11","10-(Dimethoxymethyl)quinoxalino[2,3-c]cinnoline","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C68 H56 N16 O8 -","4","1","","Makhluf J. Haddadin; Mirna El-Khatib; Tharallah A. Shoker; Christine M. Beavers; Marilyn M. Olmstead; James C. Fettinger; Kelli M. Farber; Mark J. Kurth","Quinoxalino[2,3-c]cinnolines and Their 5-N-Oxide: Alkoxylation of Methyl-Substituted Quinoxalino[2,3-c]cinnolines to Acetals and Orthoesters","Journal of Organic Chemistry","2011","76","","8421","8427","10.1021/jo201687x","","","1.54178","CuKα","","0.0478","0.0454","","","0.129","0.1314","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026670","7.2268","0.0003","9.4022","0.0003","22.4907","0.0009","90","","90","","90","","1528.19","0.1","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Brett D. Schwartz; Lorenzo V. White; Martin G. Banwell; Anthony C. Willis","Structure of the Lycorinine Alkaloid Nobilisitine A","Journal of Organic Chemistry","2011","76","","8560","8563","10.1021/jo2016899","","","0.71073","MoKα","","0.0444","0.0341","","0.0811","0.0758","0.0811","","","","","","0.9969","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026671","8.4886","0.0002","12.6225","0.0003","19.7837","0.0003","90","","90","","90","","2119.77","0.08","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Brett D. Schwartz; Lorenzo V. White; Martin G. Banwell; Anthony C. Willis","Structure of the Lycorinine Alkaloid Nobilisitine A","Journal of Organic Chemistry","2011","76","","8560","8563","10.1021/jo2016899","","","0.71073","MoKα","","0.0412","0.035","","0.0911","0.0868","0.0911","","","","","","0.9907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026672","24.92","0.002","13.8734","0.0017","19.672","0.002","90","","112.722","0.004","90","","6273.3","1.1","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H41 Cl3 N2 O2 -","- C33.5 H41 Cl3 N2 O2 -","- C268 H328 Cl24 N16 O16 -","8","2","","Andrzej Rajca; Kouichi Shiraishi; Przemysław J. Boratyński; Maren Pink; Makoto Miyasaka; Suchada Rajca","Oxidation of Annelated Diarylamines: Analysis of Reaction Pathways to Nitroxide Diradical and Spirocyclic Products","Journal of Organic Chemistry","2011","76","","8447","8457","10.1021/jo2017923","","","0.49595","synchrotron","","0.0765","0.0546","","","0.1353","0.147","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026673","11.1555","0.0004","12.8987","0.0004","15.0353","0.0006","108.133","0.003","98.064","0.003","97.899","0.003","1997.62","0.13","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","2","","Irena Škorić; Ilijana Kikaš; Margit Kovács; Lajos Fodor; Željko Marinić; Krešimir Molčanov; Biserka Kojić-Prodić; Ottó Horváth","Synthesis, Photochemistry, and Photophysics of Butadiene Derivatives: Influence of the Methyl Group on the Molecular Structure and Photoinduced Behavior","Journal of Organic Chemistry","2011","76","","8641","8657","10.1021/jo200691x","","x-ray","1.54184","CuKα","","","0.0614","","","","0.2033","","","","","","1.086","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026674","9.6388","0.0009","18.4702","0.0009","13.1278","0.001","90","","110.976","0.01","90","","2182.3","0.3","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 -","- C28 H26 -","- C112 H104 -","4","0.5","","Irena Škorić; Ilijana Kikaš; Margit Kovács; Lajos Fodor; Željko Marinić; Krešimir Molčanov; Biserka Kojić-Prodić; Ottó Horváth","Synthesis, Photochemistry, and Photophysics of Butadiene Derivatives: Influence of the Methyl Group on the Molecular Structure and Photoinduced Behavior","Journal of Organic Chemistry","2011","76","","8641","8657","10.1021/jo200691x","","x-ray","1.54179","CuKα","","","0.0511","","","","0.1564","","","","","","1.084","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026675","7.331","0.005","3.716","0.002","12.129","0.008","90","","98.475","0.01","90","","326.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 O2 -","- C8 H4 N2 O2 -","- C16 H8 N4 O4 -","2","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.0718","0.0644","","","0.1627","0.167","","","","","","1.16","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026676","7.458","0.008","4.364","0.005","15.876","0.016","90","","92.02","0.02","90","","516.4","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cl2 N2 O2 -","- C10 H6 Cl2 N2 O2 -","- C20 H12 Cl4 N4 O4 -","2","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.0805","0.0504","","","0.1241","0.1376","","","","","","1.063","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026677","6.252","0.004","9.238","0.006","11.558","0.009","71.503","0.016","74.739","0.016","82.347","0.017","609.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O2 Si2 -","- C24 H26 N2 O2 Si2 -","- C24 H26 N2 O2 Si2 -","1","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.112","0.0914","","","0.2511","0.2706","","","","","","1.067","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026678","17.767","0.002","4.3191","0.0006","17.551","0.002","90","","117.518","0.002","90","","1194.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Jef14","","","- C10 H4 Cl4 N2 O2 -","- C10 H4 Cl4 N2 O2 -","- C40 H16 Cl16 N8 O8 -","4","0.5","","Brian C. Tlach; Aimée L. Tomlinson; Achala Bhuwalka; Malika Jeffries-EL","Tuning the Optical and Electronic Properties of 4,8-Disubstituted Benzobisoxazoles via Alkyne Substitution","Journal of Organic Chemistry","2011","76","","8670","8681","10.1021/jo201078w","","","0.71073","MoKα","","0.0274","0.025","","","0.0663","0.0684","","","","","","1.069","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026679","10.1084","0.0003","17.3007","0.0005","39.0695","0.0013","90","","90","","90","","6832.6","0.4","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C288 H480 O48 -","24","6","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0574","0.054","","","0.1383","0.1405","","","","","","1.087","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026680","6.6164","0.0002","8.4025","0.0002","23.1972","0.0007","90","","90","","90","","1289.63","0.06","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0287","0.028","","","0.0732","0.074","","","","","","1.06","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026681","15.55","0.0009","10.1305","0.0006","20.3828","0.0013","90","","91.958","0.005","90","","3209","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H30 O2 -","- C17 H30 O2 -","- C136 H240 O16 -","8","4","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0504","0.0441","","","0.1013","0.1045","","","","","","1.044","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026682","6.3839","0.0004","7.5086","0.0002","19.412","0.0005","90","","96.46","0.004","90","","924.59","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O -","- C22 H19 Br N2 O -","- C44 H38 Br2 N4 O2 -","2","1","","Xing Chen; Yongsheng Zheng; Chang Shu; Weicheng Yuan; Bo Liu; Xiaomei Zhang","Enantioselective Synthesis of 4-Substituted 4,5-Dihydro-1H-[1,5]benzodiazepin-2(3H)-ones by the Lewis Base-Catalyzed Hydrosilylation","Journal of Organic Chemistry","2011","76","","9109","9115","10.1021/jo201334n","","","1.54184","CuKα","","0.0375","0.0366","","","0.1014","0.1023","","","","","","1.067","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026683","43.124","0.004","6.6863","0.001","28.0461","0.0003","90","","119.472","0.001","90","","7040.3","1.2","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 N9 O9 -","- C33 H39 N9 O9 -","- C264 H312 N72 O72 -","8","1","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Z/E Isomerism in Nα-Nα-Disubstituted Hydrazides and the Amidoxy Bond: Application to the Conformational Analysis of Pseudopeptides Built of Hydrazinoacids and α-Aminoxyacids","Journal of Organic Chemistry","2011","76","","8756","8767","10.1021/jo201390b","","x-ray","0.71069","MoKα","","0.0887","0.0702","","","0.1798","0.1905","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026684","7.9242","0.0002","15.6107","0.0003","10.0393","0.0002","90","","105.906","0.001","90","","1194.34","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C44 H60 N12 O8 -","4","1","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Z/E Isomerism in Nα-Nα-Disubstituted Hydrazides and the Amidoxy Bond: Application to the Conformational Analysis of Pseudopeptides Built of Hydrazinoacids and α-Aminoxyacids","Journal of Organic Chemistry","2011","76","","8756","8767","10.1021/jo201390b","","","0.71069","MoKα","","0.061","0.0442","","","0.1129","0.1238","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026685","10.0389","0.0012","11.3271","0.0016","16.24","0.002","90","","91.606","0.005","90","","1846","0.4","110","2","110","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H20 Br3 O2 -","- C18 H20 Br3 O2 -","- C72 H80 Br12 O8 -","4","1","","Takashi Takeda; Koji Inukai; Kazukuni Tahara; Yoshito Tobe","Electrophilic Transannular Cyclization of Octadehydrodibenzo[12]annulene Reexamined: Indication of the Formation of Both anti- and syn-Indenofluorenes","Journal of Organic Chemistry","2011","76","","9116","9121","10.1021/jo2014593","","x-ray","0.71073","MoKα","","0.054","0.0408","","","0.0952","0.1053","","","","","","1.075","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026686","10.9779","0.0001","19.52","0.0001","9.1673","0.0001","90","","110.605","0.001","90","","1838.78","0.03","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 N2 -","- C21 H16 Cl2 N2 -","- C84 H64 Cl8 N8 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0547","0.0434","","","0.101","0.108","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026687","13.459","0.0004","16.7106","0.0004","8.6917","0.0002","90","","95.875","0.001","90","","1944.56","0.09","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.082","0.0624","","","0.1209","0.1333","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026688","12.3342","0.0004","16.1861","0.0007","13.6435","0.0005","90","","114.033","0.003","90","","2487.7","0.17","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N2 O1.5 -","- C28 H31 N2 O1.5 -","- C112 H124 N8 O6 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0814","0.0641","","","0.1706","0.1878","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026689","13.1146","0.0005","15.815","0.0006","12.5492","0.0004","90","","117.03","0.002","90","","2318.49","0.15","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C112 H120 N8 O12 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0489","0.0426","","","0.1071","0.1121","","","","","","1.045","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026690","14.1081","0.0002","20.1366","0.0003","15.4154","0.0002","90","","110.504","0.001","90","","4101.91","0.1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O S2 -","- C22 H22 N2 O S2 -","- C176 H176 N16 O8 S16 -","8","2","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.1027","0.0741","","","0.1651","0.1913","","","","","","1.047","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026691","8.6397","0.0003","31.307","0.0012","9.6178","0.0004","90","","97.778","0.002","90","","2577.52","0.17","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N2 O2 -","- C31 H34 N2 O2 -","- C124 H136 N8 O8 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0577","0.0481","","","0.125","0.1339","","","","","","1.036","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026692","10.8624","0.0005","13.2065","0.0007","13.302","0.0006","82.057","0.002","68.127","0.002","89.763","0.004","1751.54","0.15","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 Cl2 N2 -","- C21 H14 Cl2 N2 -","- C84 H56 Cl8 N8 -","4","2","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0703","0.0535","","","0.1314","0.1448","","","","","","1.028","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026693","10.2257","0.0002","12.2274","0.0002","27.451","0.0006","90","","90","","90","","3432.3","0.12","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cl N3 -","- C43 H40 Cl N3 -","- C172 H160 Cl4 N12 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.1037","0.0499","","","0.0972","0.1152","","","","","","1.01","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026694","11.499","0.0004","13.5445","0.0006","14.2813","0.0007","88.9","0.002","73.118","0.002","83.078","0.004","2112.62","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.3 H20.6 Cl0.6 N2 -","- C25.288 H20.576 Cl0.576 N2 -","- C101.152 H82.304 Cl2.304 N8 -","4","2","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0794","0.0661","","","0.1796","0.1939","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026695","20.1375","0.0009","11.4619","0.0003","19.8679","0.0005","90","","119.34","0.002","90","","3997.6","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cl4 N4 -","- C44 H40 Cl4 N4 -","- C176 H160 Cl16 N16 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0924","0.0707","","","0.1844","0.2047","","","","","","1.028","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026696","15.8321","0.0005","14.3899","0.0004","18.7392","0.0006","90","","96.97","0.001","90","","4237.7","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cl8 N4 -","- C44 H36 Cl8 N4 -","- C176 H144 Cl32 N16 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0533","0.0474","","","0.1245","0.1302","","","","","","1.028","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026697","16.203","0.0003","14.5941","0.0004","18.67","0.0007","90","","96.606","0.002","90","","4385.5","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Br4 Cl4 N4 -","- C44 H36 Br4 Cl4 N4 -","- C176 H144 Br16 Cl16 N16 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","1.54178","CuKα","","0.0485","0.0422","","","0.0987","0.1027","","","","","","1.059","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026698","12.9125","0.0015","6.3682","0.0008","13.7532","0.0017","90","","117.733","0.002","90","","1001","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","2","","Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang","Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity","Journal of Organic Chemistry","2011","76","","8833","8839","10.1021/jo2015483","","","0.71073","MoKα","","0.0432","0.0402","","","0.1028","0.1055","","","","","","1.09","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026699","5.983","0.0004","5.983","0.0004","46.449","0.004","90","","90","","120","","1439.94","0.18","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C66 H78 N6 O12 -","6","1","","Chengtang Du; Fulong Li; Xuefeng Zhang; Wenxiang Hu; Qizheng Yao; Ao Zhang","Lewis Acid Catalyzed Cyclization of Glycals/2-Deoxy-d-ribose with Arylamines: Additional Findings on Product Structure and Reaction Diastereoselectivity","Journal of Organic Chemistry","2011","76","","8833","8839","10.1021/jo2015483","","","0.71073","MoKα","","0.0587","0.0549","","","0.1451","0.1558","","","","","","1.309","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026700","12.0031","0.0013","23.616","0.003","28.157","0.003","90","","90","","90","","7981.5","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N5 O6 -","- C46 H43 N5 O6 -","- C368 H344 N40 O48 -","8","2","","Adjaci F. Uchoa; Kleber T. de Oliveira; Mauricio S. Baptista; Adailton J. Bortoluzzi; Yassuko Iamamoto; Osvaldo A. Serra","Chlorin Photosensitizers Sterically Designed To Prevent Self-Aggregation","Journal of Organic Chemistry","2011","76","","8824","8832","10.1021/jo201568n","","","0.71073","MoKα","","0.2681","0.1054","","","0.2588","0.3581","","","","","","0.95","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026701","5.5668","0.0008","8.5894","0.0013","27.73","0.004","90","","90","","90","","1325.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Dengfu Lu; Yirong Zhou; Yajun Li; Shaobai Yan; Yuefa Gong","Copper(II)-Catalyzed Asymmetric Henry Reaction of o-Alkynylbenzaldehydes Followed by Gold(I)-Mediated Cycloisomerization: An Enantioselective Route to Chiral 1H-Isochromenes and 1,3-Dihydroisobenzofurans","Journal of Organic Chemistry","2011","76","","8869","8878","10.1021/jo201596p","","","0.71073","MoKα","","0.1174","0.0683","","","0.097","0.1091","","","","","","1.024","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026702","4.8303","0.0009","19.076","0.003","16.995","0.003","90","","90.576","0.004","90","","1565.9","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.32 H1.94 N0.13 O0.52 -","- C2.32258 H1.93548 N0.129032 O0.516129 -","- C72 H60 N4 O16 -","31","15.5","","Dengfu Lu; Yirong Zhou; Yajun Li; Shaobai Yan; Yuefa Gong","Copper(II)-Catalyzed Asymmetric Henry Reaction of o-Alkynylbenzaldehydes Followed by Gold(I)-Mediated Cycloisomerization: An Enantioselective Route to Chiral 1H-Isochromenes and 1,3-Dihydroisobenzofurans","Journal of Organic Chemistry","2011","76","","8869","8878","10.1021/jo201596p","","","0.71073","MoKα","","0.1066","0.0671","","","0.1345","0.1522","","","","","","1.012","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026703","5.649","0.004","11.099","0.006","18.312","0.014","88.81","0.03","84.98","0.03","85.27","0.02","1139.7","1.3","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 I O6 S -","- C21 H23 I O6 S -","- C42 H46 I2 O12 S2 -","2","1","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0426","","","","0.075","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026704","15.499","0.016","5.735","0.008","19.515","0.02","90","","94.85","0.03","90","","1728","3","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 I O3 -","- C17 H20 I O3 -","- C68 H80 I4 O12 -","4","1","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0468","","","","0.0716","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026705","9.079","0.008","10.357","0.008","17.832","0.018","99.63","0.03","94.03","0.04","89.28","0.03","1649","3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 I O3 -","- C17 H15 I O3 -","- C68 H60 I4 O12 -","4","2","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0378","","","","0.0472","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026706","5.967","0.005","14.634","0.016","19.764","0.018","90","","98.93","0.03","90","","1705","3","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I O3 -","- C18 H17 I O3 -","- C72 H68 I4 O12 -","4","1","","Noriko Okamoto; Yoshihisa Miwa; Hideki Minami; Kei Takeda; Reiko Yanada","Regio- and Stereoselective Multisubstituted Enol Ester Synthesis","Journal of Organic Chemistry","2011","76","","9133","9138","10.1021/jo201609r","","","0.71075","MoKα","","","0.0292","","","","0.0369","","","","","","1.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026707","13.3529","0.0015","12.6154","0.0015","20.5522","0.0019","90","","99.7","0.02","90","","3412.6","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetramethyl 2,6-bis[4-(dimethylamino) phenyl]cyclohexane-1,1,4,4- tetracarboxylate","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C120 H152 N8 O32 -","4","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","","1.54184","CuKα","","0.2241","0.0504","","","0.1041","0.156","","","","","","0.811","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026708","8.2762","0.0008","9.5852","0.0009","12.597","0.0013","82.36","0.02","80.27","0.02","77.15","0.02","955.53","0.19","295","2","295","2","","","","","","","","4","P 1","P 1","1","","Tetramethyl 2,2'-((9S,10R)-1,2,3,5,6,7- hexamethoxy-9,10-dihydroanthracene- 9,10-diyl)-bis(methylene)dimalonate","","- C32.25 H41.25 Cl0.75 O14.5 -","- C32.25 H40.25 Cl0.75 O14.5 -","- C32.25 H40.25 Cl0.75 O14.5 -","1","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0417","0.035","","","0.0992","0.1056","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026709","16.6656","0.0008","9.5746","0.0005","18.642","0.0009","90","","114.9","0.01","90","","2698.1","0.3","295","2","295","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","Tetramethyl 2(SR),5(SR)‒bis(4‒methoxyphenyl)cyclohexane‒1,1,4,4‒tetracarboxylate","","- C28 H32 O10 -","- C28 H32 O10 -","- C112 H128 O40 -","4","1","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0669","0.0438","","","0.1097","0.1223","","","","","","1.005","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026710","9.3152","0.0019","7.6419","0.0017","20.709","0.004","90","","102.37","0.02","90","","1440","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetramethyl 2,2'-((9S,10R)-1,2,5,6-tetramethoxy-9,10-dihydroanthracene- 9,10-diyl)bis(methylene)dimalonate","","- C30 H36 O12 -","- C30 H36 O12 -","- C60 H72 O24 -","2","0.5","","Olga A. Ivanova; Ekaterina M. Budynina; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","(3 + 3)-Cyclodimerization of Donor-Acceptor Cyclopropanes. Three Routes to Six-Membered Rings","Journal of Organic Chemistry","2011","76","","8852","8868","10.1021/jo201612w","","x-ray","1.54184","CuKα","","0.0374","0.0339","","","0.092","0.0952","","","","","","0.94","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026711","17.0989","0.0008","8.7981","0.0006","19.2978","0.0009","90","","98.895","0.005","90","","2868.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N O4 -","- C33 H35 N O4 -","- C132 H140 N4 O16 -","4","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0749","0.0468","","","0.1046","0.1195","","","","","","1.032","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026712","10.3722","0.0006","10.5695","0.0005","14.3839","0.0009","98.241","0.004","99.394","0.005","92.118","0.004","1536.74","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 N O4 -","- C37 H35 N O4 -","- C74 H70 N2 O8 -","2","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0863","0.0548","","","0.1328","0.1532","","","","","","1.033","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026713","11.1655","0.0006","19.4016","0.0008","15.3346","0.0007","90","","108.456","0.005","90","","3151.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N O4 -","- C37 H35 N O4 -","- C148 H140 N4 O16 -","4","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0796","0.049","","","0.1163","0.1347","","","","","","1.027","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026714","9.5376","0.0006","10.1404","0.0005","14.9134","0.0009","95.842","0.005","95.11","0.005","108.437","0.005","1349.93","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N O4 -","- C31 H33 N O4 -","- C62 H66 N2 O8 -","2","1","","Guangwei Yin; Yuanxun Zhu; Ping Lu; Yanguang Wang","Lewis Acid-Promoted Three-Component Reactions of Propargylic Alcohols with 2-Butynedioates and Secondary Amines","Journal of Organic Chemistry","2011","76","","8922","8929","10.1021/jo2016407","","","0.71073","MoKα","","0.0847","0.0517","","","0.1244","0.1434","","","","","","1.023","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026715","6.7764","0.0003","11.7822","0.0005","15.276","0.0007","90","","96.075","0.001","90","","1212.8","0.09","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Suwei Dong; Katharine J. Cahill; Moon-Il Kang; Nancy H. Colburn; Curtis J. Henrich; Jennifer A. Wilson; John A. Beutler; Richard P. Johnson; John A. Porco","Microwave-Based Reaction Screening: Tandem Retro-Diels-Alder/Diels-Alder Cycloadditions of o-Quinol Dimers","Journal of Organic Chemistry","2011","76","","8944","8954","10.1021/jo201658y","","","0.71073","MoKα","","0.0471","0.0374","","","0.0994","0.1073","","","","","","1.033","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026716","27.166","0.0014","7.5426","0.0004","17.829","0.0009","90","","108.241","0.003","90","","3469.6","0.3","183","2","183","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H53 N6 O10.5 -","- C28 H46 N6 O10.5 -","- C112 H184 N24 O42 -","4","1","","Sujeewa Ranatunga; Jinsoo S. Kim; Ujjwal Pal; Juan R. Del Valle","An Ester Enolate-Claisen Rearrangement Route to Substituted 4-Alkylideneprolines. Studies toward a Definitive Structural Revision of Lucentamycin A","Journal of Organic Chemistry","2011","76","","8962","8976","10.1021/jo201727g","","","0.71073","MoKα","","0.0637","0.0501","","","0.1195","0.128","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026717","8.8907","0.0013","9.494","0.0014","14.442","0.002","72.405","0.011","81.083","0.012","69.498","0.011","1086.7","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl2 N2 O6 -","- C21 H18 Cl2 N2 O6 -","- C42 H36 Cl4 N4 O12 -","2","1","","Tryfon Zarganes-Tzitzikas; Michael A. Terzidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Synthesis of Functionalized Spirobenzofuranones via MCR involving 3-Cyanochromones","Journal of Organic Chemistry","2011","76","","9008","9014","10.1021/jo201732g","","","0.71073","MoKα","","0.0582","0.0364","","","0.0849","0.0904","","","","","","0.979","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026718","14.651","0.003","14.524","0.003","14.781","0.003","90","","114.53","0.03","90","","2861.4","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C74 H60 N2 O7 -","- C74 H60 N2 O7 -","- C148 H120 N4 O14 -","2","1","","Xin Xie; Xiangwei Du; Yifeng Chen; Yuanhong Liu","One-Pot Synthesis of Indole-Fused Scaffolds via Gold-Catalyzed Tandem Annulation Reactions of 1,2-Bis(alkynyl)-2-en-1-ones with Indoles","Journal of Organic Chemistry","2011","76","","9175","9181","10.1021/jo2017668","","","0.71073","MoKα","","0.0703","0.0504","","","0.1169","0.133","","","","","","1.035","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026719","9.1943","0.0013","11.9963","0.0017","12.7403","0.0019","63.084","0.002","81.883","0.003","81.254","0.003","1234.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H23 N O3 -","- C33 H23 N O3 -","- C66 H46 N2 O6 -","2","1","","Xin Xie; Xiangwei Du; Yifeng Chen; Yuanhong Liu","One-Pot Synthesis of Indole-Fused Scaffolds via Gold-Catalyzed Tandem Annulation Reactions of 1,2-Bis(alkynyl)-2-en-1-ones with Indoles","Journal of Organic Chemistry","2011","76","","9175","9181","10.1021/jo2017668","","","0.71073","MoKα","","0.0758","0.0554","","","0.1364","0.1475","","","","","","1.012","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026720","9.7718","0.0016","8.006","0.0009","20.49","0.0018","90","","108.09","0.008","90","","1523.8","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","1.54178","CuKα","","0.054","0.0421","","","0.1107","0.1183","","","","","","1.067","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026721","7.8462","0.0012","23.6535","0.0009","8.3161","0.0006","90","","97.932","0.009","90","","1528.6","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","1.54178","CuKα","","0.0831","0.041","","","0.1122","0.1371","","","","","","1.078","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026722","35.794","0.003","6.9906","0.0005","22.8659","0.0017","90","","108.969","0.001","90","","5410.8","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl3 N O6 -","- C28 H34 Cl3 N O6 -","- C224 H272 Cl24 N8 O48 -","8","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","0.71073","MoKα","","0.0893","0.0498","","","0.0993","0.1124","","","","","","1.015","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026723","7.939","0.002","13.091","0.003","16.816","0.004","90","","90","","90","","1747.7","0.7","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","0.71075","MoKα","","0.0324","0.0323","","","0.083","0.0831","","","","","","1.061","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026724","7.3665","0.0005","7.7794","0.0005","16.9363","0.0012","84.261","0.004","83.83","0.004","88.158","0.004","959.88","0.11","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O -","- C25 H26 O -","- C50 H52 O2 -","2","1","","Jennifer Tsoung; Katja Krämer; Adam Zajdlik; Clemence Liébert; Mark Lautens","Diastereoselective Friedel-Crafts Alkylation of Hydronaphthalenes","Journal of Organic Chemistry","2011","76","","9031","9045","10.1021/jo201781x","","","0.71073","MoKα","","0.0919","0.0557","","","0.1396","0.1689","","","","","","1.034","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026725","10.08","0.0005","7.0463","0.0003","11.1384","0.0006","90","","107.995","0.002","90","","752.42","0.06","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H17 -","- C22 H18 -","- C44 H36 -","2","1","","Jennifer Tsoung; Katja Krämer; Adam Zajdlik; Clemence Liébert; Mark Lautens","Diastereoselective Friedel-Crafts Alkylation of Hydronaphthalenes","Journal of Organic Chemistry","2011","76","","9031","9045","10.1021/jo201781x","","","0.71073","MoKα","","0.0469","0.0368","","","0.0861","0.0917","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026726","10.4988","0.0009","14.453","0.001","18.836","0.002","68.098","0.002","74.096","0.002","84.16","0.002","2550.4","0.4","93.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H51 N O2 S -","- C71 H51 N O2 S -","- C142 H102 N2 O4 S2 -","2","1","","Kimio Hirano; Yusuke Inaba; Kiyosei Takasu; Shinya Oishi; Yoshiji Takemoto; Nobutaka Fujii; Hiroaki Ohno","Gold(I)-Catalyzed Polycyclizations of Polyenyne-Type Anilines Based on Hydroamination and Consecutive Hydroarylation Cascade","Journal of Organic Chemistry","2011","76","","9068","9080","10.1021/jo2018119","","","0.7107","MoKα","","","0.073","","","","0.088","","","","","","1.766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026727","6.5614","0.0018","10.965","0.003","26.383","0.008","90","","90","","90","","1898.1","0.9","108","2","108","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H92 Cl4 N16 O16 -","- C64 H92 Cl4 N16 O16 -","- C64 H92 Cl4 N16 O16 -","1","0.25","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0735","0.0521","","","0.1179","0.1827","","","","","","1.011","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026728","12.516","0.003","24.947","0.005","12.942","0.003","90","","116.07","0.03","90","","3629.8","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C112 H176 Cl16 N64 -","- C112 H176 Cl16 N64 -","- C112 H176 Cl16 N64 -","1","0.125","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71073","MoKα","","0.045","0.0399","","","0.098","0.1015","","","","","","1.144","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026729","13.489","0.003","8.687","0.002","19.035","0.004","90","","91.485","0.004","90","","2229.8","0.9","108","2","108","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H120 Cl8 N32 -","- C80 H120 Cl8 N32 -","- C80 H120 Cl8 N32 -","1","0.125","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0621","0.0449","","","0.1355","0.1992","","","","","","1.171","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026730","8.908","0.003","11.243","0.003","11.338","0.003","95.291","0.002","112.663","0.006","91.655","0.004","1040.8","0.5","118","2","118","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N6 O10 -","- C38 H58 N6 O10 -","- C38 H58 N6 O10 -","1","0.5","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0456","0.0366","","","0.099","0.1202","","","","","","1.14","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026731","28.907","0.01","7.097","0.002","19.34","0.006","90","","120.174","0.006","90","","3430.1","1.9","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 Cl2 N -","- C16 H25 Cl2 N -","- C128 H200 Cl16 N8 -","8","1","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.0746","0.0428","","","0.1077","0.134","","","","","","1.078","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026732","37.226","0.019","8.122","0.004","27.186","0.013","90","","109.884","0.012","90","","7730","7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","rac-(RS,RS)-2-(1-(3,4-dichlorophenyl)-3-methylbutyl)piperidinium chloride Monohydrate","","- C35 H52 Cl6 N2 O2 -","- C17 H26 Cl3 N O -","- C272 H416 Cl48 N16 O16 -","16","2","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.1755","0.0909","","","0.215","0.2488","","","","","","1.039","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026733","7.8496","0.0015","26.389","0.005","8.7973","0.0015","90","","115.512","0.004","90","","1644.6","0.5","93","1","93","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(RS,SR)-2-(1-(3-chlorophenyl)-3-methylbutyl)piperidinium chloride","","- C16 H25 Cl2 N -","- C16 H25 Cl2 N -","- C64 H100 Cl8 N4 -","4","1","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.066","0.0466","","","0.1187","0.1277","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026734","12.72","0.005","11.077","0.004","13.974","0.006","90","","112.514","0.01","90","","1818.9","1.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(RS,RS)-2-(1-(3,4-dichlorophenyl)-3-methylbutyl)-1-methylpiperidinium chloride","","- C17 H26 Cl3 N -","- C17 H26 Cl3 N -","- C68 H104 Cl12 N4 -","4","1","","Avital Steinberg; Mark Froimowitz; Damon A. Parrish; Jeffrey R. Deschamps; Robert Glaser","Solution- and Solid-State Conformations of C(α)-Alkyl Analogues of Methylphenidate (Ritalin) Salts: Avoidance of gauche+gauche- Interactions","Journal of Organic Chemistry","2011","76","","9239","9245","10.1021/jo201415h","","","0.71073","MoKα","","0.0926","0.061","","","0.1601","0.1757","","","","","","1.037","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026735","17.2161","0.0003","5.9583","0.0001","17.2485","0.0003","90","","116.211","0.001","90","","1587.39","0.05","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","1","","R. Frederick Lambert; Robert J. Hinkle; Stephen E. Ammann; Yajing Lian; Jia Liu; Shane E. Lewis; Robert D. Pike","Bi(OTf)3-, TfOH-, and TMSOTf- Mediated, One-Pot Epoxide Rearrangement, Addition, and Intramolecular Silyl-Modified Sakurai (ISMS) Cascade toward Dihydropyrans: Comparison of Catalysts and Role of Bi(OTf)3","Journal of Organic Chemistry","2011","76","","9269","9277","10.1021/jo201478d","","","1.54178","CuKα","","0.0284","0.0283","","","0.0748","0.0749","","","","","","1.043","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026736","9.5212","0.0003","10.8122","0.0004","28.4537","0.0011","90","","94.394","0.01","90","","2920.56","0.19","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(4-Nitrophenyl)-3,4,8,9-tetraphenyl-5,7-dioxa-1-azabicylo[4.4.1]undeca-3,8- diene-2,10-dione","","- C38 H26 N2 O6 -","- C38 H26 N2 O6 -","- C152 H104 N8 O24 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.067","0.053","","","0.1369","0.1482","","","","","","1.062","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026737","9.6834","0.0002","19.3806","0.0004","19.9584","0.0004","90","","98.464","0.01","90","","3704.8","0.16","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(6RS,7RS)-7-Methyl-3,4,6-triphenyl-5-oxa-1-azabicyclo[4.1.0]hept-3-en-2-one","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0431","","","0.1082","0.1176","","","","","","1.03","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026738","10.5934","0.0002","12.6294","0.0003","18.7414","0.0004","90","","90","","90","","2507.38","0.09","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4'-Benzoyl-2',4'-diphenylspiro[fluorene-9,3'-pyrrol]-5'(4'H)-one","","- C35 H23 N O2 -","- C35 H23 N O2 -","- C140 H92 N4 O8 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0566","0.0391","","","0.0864","0.0981","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026739","14.3216","0.0005","14.1401","0.0005","20.2005","0.0007","90","","93.068","0.01","90","","4084.9","0.3","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","(7'RS,8a'SR)-7'-Benzoyl-2',3',7',8a'-tetraphenylspiro[fluorene-9,8'- pyrrolo[2,1-b][1,3]oxazine]-4',6'(7'H,8a'H)-dione","","- C51 H35 Cl2 N O4 -","- C51 H35 Cl2 N O4 -","- C204 H140 Cl8 N4 O16 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0843","0.0529","","","0.12","0.1322","","","","","","0.987","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026740","10.1297","0.0003","12.8314","0.0004","14.6074","0.0004","96.969","0.01","104.944","0.01","106.416","0.01","1720.58","0.19","120","","120","","","","","","","","","4","P -1","-P 1","2","","(Z)-Methyl 3-(5-oxo-2,6,7-triphenyl-2,3,4,5-tetrahydro-1,4-oxazepin-2-yloxy)- 2,3-diphenylacrylate","","- C41 H37 N O6 -","- C41 H37 N O6 -","- C82 H74 N2 O12 -","2","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0827","0.0441","","","0.0889","0.0996","","","","","","0.921","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026741","24.4292","0.0006","10.281","0.0003","21.1739","0.0005","90","","117.263","0.01","90","","4727.2","0.5","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2RS,3SR)-2-Methoxy-2,3,6,7-tetraphenyl-3,4-dihydro-1,4-oxazepin-5(2H)-one","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C240 H200 N8 O24 -","8","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0513","0.0411","","","0.1123","0.1217","","","","","","1.049","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026742","31.808","0.002","5.6746","0.0003","20.9233","0.0012","90","","98.1","0.006","90","","3738.9","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","1","","Jian Cao; Maozhong Miao; Wanli Chen; Luling Wu; Xian Huang","Manganese(III) Acetate-Mediated Cyclization of Diarylmethylenecyclopropa[b]naphthalenes: A Method for the Synthesis of 1,2-Benzanthracene Derivatives","Journal of Organic Chemistry","2011","76","","9329","9337","10.1021/jo2015906","","","1.54184","CuKα","","0.0675","0.0516","","","0.1421","0.16","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026743","13.07","0.02","9.621","0.014","23.58","0.04","90","","106.99","0.03","90","","2836","8","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 N6 O2 -","- C66 H64 N6 O2 -","- C132 H128 N12 O4 -","2","0.5","","Tomohito Ide; Daisuke Takeuchi; Kohtaro Osakada; Takashi Sato; Masayoshi Higuchi","Aromatic Macrocycle Containing Amine and Imine Groups: Intramolecular Charge-Transfer and Multiple Redox Behavior","Journal of Organic Chemistry","2011","76","","9504","9506","10.1021/jo201650t","","","0.7107","MoKα","","","0.0916","","","","0.2215","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026744","7.7147","0.0013","12.9963","0.0012","18.83","0.006","90","","90","","90","","1887.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 B F4 N2 -","- C19 H23 B F4 N2 -","- C76 H92 B4 F16 N8 -","4","1","","Konstantin Troshin; Claus Schindele; Herbert Mayr","Electrophilicities of Symmetrically Substituted 1,3-Diarylallyl Cations","Journal of Organic Chemistry","2011","76","","9391","9408","10.1021/jo201668w","","","0.71073","MoKα","","0.0475","0.0364","","","0.0991","0.1097","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026745","23.0429","0.0006","19.253","0.0005","15.1462","0.0004","90","","105.922","0.001","90","","6461.7","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H23 Cl N2 O6.5 Pd2 S2 -","- C26.5 H23 Cl N2 O6.5 Pd2 S2 -","- C212 H184 Cl8 N16 O52 Pd16 S16 -","8","1","","José A. Romero-Revilla; Alfonso García-Rubia; Ramón Goméz Arrayás; M. Ángeles Fernández-Ibáñez; Juan C. Carretero","Palladium-Catalyzed Coupling of Arene C-H Bonds with Methyl- and Arylboron Reagents Assisted by the Removable 2-Pyridylsulfinyl Group","Journal of Organic Chemistry","2011","76","","9525","9530","10.1021/jo2018137","","","0.71073","MoKα","","0.0466","0.0322","","","0.1161","0.1377","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026746","10.3126","0.0002","13.3307","0.0003","20.6168","0.0005","90","","90","","90","","2834.28","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2S,8aS)-2-bromo-1,2,3,5,8,8a-hexahydro-1-indolizinol","","- C8 H12 Br N O -","- C8 H12 Br N O -","- C96 H144 Br12 N12 O12 -","12","3","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","x-ray","1.54178","CuKα","","0.0989","0.0471","","","0.0989","0.1211","","","","","","0.942","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026747","7.735","0.001","6.605","0.001","17.832","0.001","90","","92.495","0.004","90","","910.17","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1SR,2SR,8aSR)-2.bromooctahydro-1-indolizinol","","- C8 H14 Br N O -","- C8 H14 Br N O -","- C32 H56 Br4 N4 O4 -","4","1","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","","1.54178","CuKα","","0.0858","0.0788","","","0.217","0.2224","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026748","21.759","0.001","21.759","0.001","10.388","0.001","90","","90","","120","","4259.3","0.5","293","2","295","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(1S,2S,8aS)-2.bromooctahydro-1-indolizinol","","- C8 H14 Br N O -","- C8 H14 Br N O -","- C144 H252 Br18 N18 O18 -","18","1","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","","1.54178","CuKα","","0.0827","0.0506","","","0.11","0.1237","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026749","7.7653","0.0005","7.7653","0.0005","17.0129","0.0012","90","","90","","90","","1025.88","0.12","150","2","150","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C16 H32 Br2 Mg O4 -","- C16 H32 Br2 Mg O4 -","- C32 H64 Br4 Mg2 O8 -","2","0.25","","Jacob W. Clary; Terry J. Rettenmaier; Rachel Snelling; Whitney Bryks; Jesse Banwell; W. Todd Wipke; Bakthan Singaram","Hydride as a Leaving Group in the Reaction of Pinacolborane with Halides under Ambient Grignard and Barbier Conditions. One-Pot Synthesis of Alkyl, Aryl, Heteroaryl, Vinyl, and Allyl Pinacolboronic Esters","Journal of Organic Chemistry","2011","76","","9602","9610","10.1021/jo201093u","","","0.71073","MoKα","","0.0202","0.0179","","","0.0416","0.0424","","","","","","1.081","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026750","6.9022","0.0002","8.7137","0.0003","30.7371","0.0009","90","","90","","90","","1848.64","0.1","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-dibenzyloxy-3-oxo-tetrahydro-pyrrolo[1,2-c]oxaza-5-carbonitrile","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Anna L. Win-Mason; Seino A. K. Jongkees; Stephen G. Withers; Peter C. Tyler; Mattie S. M. Timmer; Bridget L. Stocker","Stereoselective Total Synthesis of Aminoiminohexitols via Carbamate Annulation","Journal of Organic Chemistry","2011","76","","9611","9621","10.1021/jo201151b","","","0.71073","MoKα","","0.042587","0.035161","","","","0.07879","","","","","","1.05893","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026751","5.6331","0.0003","9.5901","0.0006","32.6895","0.0019","90","","90","","90","","1765.95","0.18","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-dibenzyloxy-3-oxo-tetrahydro-pyrrolo[1,2-c]oxaza-5-carbonitrile","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Anna L. Win-Mason; Seino A. K. Jongkees; Stephen G. Withers; Peter C. Tyler; Mattie S. M. Timmer; Bridget L. Stocker","Stereoselective Total Synthesis of Aminoiminohexitols via Carbamate Annulation","Journal of Organic Chemistry","2011","76","","9611","9621","10.1021/jo201151b","","","0.71073","MoKα","","0.084563","0.051163","","","","0.102433","","","","","","0.976826","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026752","5.4007","0.001","16.268","0.003","11.926","0.002","90","","102.814","0.013","90","","1021.7","0.3","90","2","90","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","4-(carboxymethyl)benzenediazonium tetrafluoroborate","","- C8 H7 B F4 N2 O2 -","- C8 H7 B F4 N2 O2 -","- C32 H28 B4 F16 N8 O8 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0762","0.0443","","","0.0864","0.0978","","","","","","1.021","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026753","14.404","0.002","9.8257","0.0014","12.052","0.0016","90","","102.494","0.007","90","","1665.3","0.4","90","2","90","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 2-hydroxy-5-[(E)-(2-methoxy-1,1-dimethyl-2-oxoethyl)diazenyl] benzoate","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C64 H88 N8 O20 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0703","0.0446","","","0.1036","0.1142","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026754","5.7594","0.001","9.521","0.002","16.404","0.003","78.73","0.013","81.125","0.012","83.834","0.012","868.8","0.3","90","2","90","2","","","","","","","synthesized","4","P -1","-P 1","2","","Methyl 2-{2-[4-(2-tert-butoxy-2-oxoethyl)phenyl]hydrazinyl}-2-methylpropanoate","","- C17 H26 N2 O4 -","- C17 H26 N2 O4 -","- C34 H52 N4 O8 -","2","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0745","0.0472","","","0.1022","0.1151","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026755","45.621","0.005","12.0348","0.001","20.808","0.002","90","","108.498","0.004","90","","10834.2","1.8","90","0.5","90","0.5","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","{4-[(E)-(2-methoxy-1,1-dimethyl-2-oxoethyl)diazenyl]phenyl}acetic acid","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C416 H512 N64 O128 -","32","4","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0978","0.0499","","","0.1053","0.1203","","","","","","1.039","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026756","9.1381","0.0006","23.089","0.0009","8.4213","0.0006","90","","95.317","0.003","90","","1769.16","0.18","90","2","90","2","","","","","","","synthesized","4","C 1 c 1","C -2yc","9","","Methyl 2-{(E)-[4-(2-tert-butoxy-2-oxoethyl)phenyl]diazenyl}-2-methyl propanoate","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C68 H96 N8 O16 -","4","1","","David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle","Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid","Journal of Organic Chemistry","2011","76","","9641","9647","10.1021/jo201358e","","","0.71073","MoKα","","0.0893","0.0783","","","0.2334","0.2472","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026757","15.263","0.003","7.0712","0.0013","29.628","0.005","90","","101.924","0.003","90","","3128.7","1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","VCD-68","","","- C29 H33 N3 O14 -","- C29 H33 N3 O14 -","- C116 H132 N12 O56 -","4","2","","M. José Alves; Flora T. Costa; Vera C. M. Duarte; Antonio Gil Fortes; José A. Martins; Nuno M. Micaelo","Advances in the Synthesis of Homochiral (-)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthesis of Active α-Glycosidase Inhibitors.","Journal of Organic Chemistry","2011","76","","9584","9592","10.1021/jo201486q","","x-ray","0.71073","MoKα","","0.0752","0.0453","","","0.097","0.1101","","","","","","1.017","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026758","9.4472","0.0012","10.9829","0.0014","11.0176","0.0014","90","","90","","90","","1143.2","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","M. José Alves; Flora T. Costa; Vera C. M. Duarte; Antonio Gil Fortes; José A. Martins; Nuno M. Micaelo","Advances in the Synthesis of Homochiral (-)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthesis of Active α-Glycosidase Inhibitors.","Journal of Organic Chemistry","2011","76","","9584","9592","10.1021/jo201486q","","x-ray","0.7107","MoKα","","0.0348","0.0328","","","0.0833","0.0846","","","","","","1.083","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026759","15.717","","12.299","","15.454","","90","","95.11","","90","","2975.44","","297","2","297","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C144 H120 N8 O32 -","8","2","","Ta-Hsien Chuang; Wei-Yu Chang; Chien-Fu Li; Yu-Chia Wen; Chia-Chen Tsai","Substituent Effects on the Iodine-Catalyzed Thermal Cyclization of 3,4-Diphenylbuta-1,3-dienyl Isocyanates: Mechanistic Studies","Journal of Organic Chemistry","2011","76","","9678","9686","10.1021/jo2017247","","x-ray","0.71073","MoKα","","0.1248","0.0431","","","0.0699","0.0781","","","","","","0.957","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026760","12.975","0.0011","11.1695","0.001","23.176","0.002","90","","91.288","0.001","90","","3357.9","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Kuet21","(8S,9S)-2,15-bis(benzyloxy)- 1,3,8,9,14,16-hexamethoxy- 7,8,9,10-tetrahydrodibenzo[h,j][1,6]dioxacyclododecine- 5,12-dione","","- C38 H40 O12 -","- C38 H40 O12 -","- C152 H160 O48 -","4","2","","Noriaki Asakura; Shohei Fujimoto; Naoki Michihata; Kentaro Nishii; Hiroshi Imagawa; Hidetoshi Yamada","Synthesis of Chiral and Modifiable Hexahydroxydiphenoyl Compounds","Journal of Organic Chemistry","2011","76","","9711","9719","10.1021/jo201750d","","","0.71073","MoKα","","0.0335","0.0321","","","0.0738","0.0745","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4026761","5.324","0.0001","12.6918","0.0003","23.0937","0.0006","90","","90","","90","","1560.47","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cytospolide M","(1S,2R,5R,6S,7R,8R)-6,7-dihydroxy-5,8-dimethyl-2- pentyl-3,11-dioxa-bicyclo[6.2.1]undecan-4-one","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0994","0.0568","","","0.151","0.181","","","","","","1.049","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026762","5.1842","0.0001","22.775","0.0004","30.4741","0.0004","90","","90","","90","","3598.08","0.11","296","2","296","2","","","","","","","","3","C 2 2 21","C 2c 2","20","cytospolide P","(3S,6R,9S,10R)-9-hydroxy-3-methyl-2,4-dioxo-10 -pentyloxecan-6-yl acetate","","- C17 H28 O6 -","- C17 H28 O6 -","- C136 H224 O48 -","8","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0463","0.0389","","","0.1038","0.1135","","","","","","1.032","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026763","5.1139","0.0002","16.2267","0.0005","19.0927","0.0006","90","","90","","90","","1584.35","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cytospolide Q","(3R,4S,5S)-4-hydroxy-5-((2R,5S)-5-((R)-1-hydroxyhexyl)- tetrahydrofuran-2-yl)-3-methyl-dihydrofuran-2(3H)-one","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0327","0.0311","","","0.0877","0.0892","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026764","11.93","0.004","14.202","0.005","12.708","0.004","90","","105.706","0.005","90","","2072.7","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2b-(2-chloroethyl)-2aH, 2bH-corannulene-2a-yl aluminum tetrachloride","","- C22 H14 Al Cl5 -","- C22 H14 Al Cl5 -","- C88 H56 Al4 Cl20 -","4","1","","Alexander V. Zabula; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Selective Surface Decoration of Corannulene","Journal of Organic Chemistry","2011","76","","9572","9576","10.1021/jo201765j","","","0.71073","Mo-Kα","","0.1184","0.0795","","","0.1597","0.1772","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026765","9.7555","0.0014","14.481","0.002","15.035","0.002","90","","93.891","0.003","90","","2119.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2b-(2-bromoethyl)-2aH, 2bH-corannulene-2a-yl aluminum tetrachloride","","- C22 H14 Al Br Cl4 -","- C22 H14 Al Br Cl4 -","- C88 H56 Al4 Br4 Cl16 -","4","1","","Alexander V. Zabula; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Selective Surface Decoration of Corannulene","Journal of Organic Chemistry","2011","76","","9572","9576","10.1021/jo201765j","","","0.71073","Mo-Kα","","0.0929","0.059","","","0.1331","0.1513","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026766","6.903","0.002","12.849","0.004","22.305","0.007","90","","90","","90","","1978.4","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O8 -","- C21 H20 N2 O8 -","- C84 H80 N8 O32 -","4","1","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0697","0.0494","","","0.1151","0.1281","","","","","","1.066","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026767","9.0911","0.0009","9.0911","0.0009","31.405","0.006","90","","90","","90","","2595.6","0.6","200","2","200","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C14 H21 N O -","- C14 H21 N O -","- C112 H168 N8 O8 -","8","1","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0479","0.0443","","","0.1142","0.1187","","","","","","1.08","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026768","9.3034","0.0014","14.352","0.002","31.116","0.005","90","","90","","90","","4154.7","1.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O -","- C15 H23 N O -","- C180 H276 N12 O12 -","12","3","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0804","0.0554","","","0.1185","0.1301","","","","","","1.032","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026769","12.2038","0.0007","4.1403","0.0003","22.3872","0.0016","90","","90","","90","","1131.17","0.13","130","","130","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","1","","Stephen A. Glover; Jonathan M. White; Adam A. Rosser; Katherine M. Digianantonio","Structures of N,N-Dialkoxyamides: Pyramidal Anomeric Amides with Low Amidicity","Journal of Organic Chemistry","2011","76","","9757","9763","10.1021/jo201856u","","","0.7107","MoKα","","0.0548","0.049","","","0.1219","0.1268","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026770","10.9575","0.0003","17.3679","0.0005","7.9564","0.0002","90","","108.867","0.003","90","","1432.82","0.07","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Stephen A. Glover; Jonathan M. White; Adam A. Rosser; Katherine M. Digianantonio","Structures of N,N-Dialkoxyamides: Pyramidal Anomeric Amides with Low Amidicity","Journal of Organic Chemistry","2011","76","","9757","9763","10.1021/jo201856u","","","0.7107","MoKα","","0.0433","0.0348","","","0.0821","0.0863","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026771","17.296","0.003","9.0264","0.0016","17.03","0.003","90","","28.664","0.004","90","","1275.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(11bR*,12R*)-11b,12-dihydroxy-11b,12-dihydroisoindolo[2,1-b]isoquinolin -7(5H)-one","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Naoki Kise; Shinsaku Isemoto; Toshihiko Sakurai","Electroreductive Intramolecular Coupling of Phthalimides with Aromatic Aldehydes: Application to the Synthesis of Lennoxamine","Journal of Organic Chemistry","2011","76","","9856","9860","10.1021/jo2018735","","","0.71075","MoKα","","0.0588","0.0442","","","0.1136","0.1201","","","","","","1.062","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026772","10.8606","0.0016","8.0593","0.0008","15.861","0.002","90","","105.485","0.006","90","","1337.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(13R*,13aR*)-13-hydroxy-7,8,13,13a-tetrahydro-5H-benzo[4,5]azepino[2,1-a] isoindol-5-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Naoki Kise; Shinsaku Isemoto; Toshihiko Sakurai","Electroreductive Intramolecular Coupling of Phthalimides with Aromatic Aldehydes: Application to the Synthesis of Lennoxamine","Journal of Organic Chemistry","2011","76","","9856","9860","10.1021/jo2018735","","","0.71075","MoKα","","0.0655","0.0423","","","0.0999","0.1074","","","","","","1.026","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026773","14.5","0.002","7.1527","0.0012","25.93","0.004","90","","99.797","0.009","90","","2650.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(13R*,13aS*)-13-hydroxy-7,8,13,13a-tetrahydro-5H-benzo[4,5]azepino[2,1-a] isoindol-5-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","2","","Naoki Kise; Shinsaku Isemoto; Toshihiko Sakurai","Electroreductive Intramolecular Coupling of Phthalimides with Aromatic Aldehydes: Application to the Synthesis of Lennoxamine","Journal of Organic Chemistry","2011","76","","9856","9860","10.1021/jo2018735","","","0.71075","MoKα","","0.0951","0.0464","","","0.0988","0.1111","","","","","","0.942","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026774","11.4651","0.0003","10.4634","0.0002","17.3065","0.0005","90","","102.084","0.001","90","","2030.15","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C92 H96 Br4 N4 O12 -","4","1","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","0.71073","MoKα","","0.0627","0.0341","","","0.0746","0.0851","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026775","13.337","0.004","17.093","0.005","17.547","0.005","90","","105.324","0.018","90","","3858","2","102","2","102","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C192 H184 N8 O32 -","8","4","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","1.54178","CuKα","","0.0233","0.0233","","","0.0667","0.0668","","","","","","1.002","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026776","7.867","0.004","11.447","0.006","13.759","0.007","72.21","0.007","86.597","0.008","76.128","0.008","1145.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Br N O4 -","- C26 H26 Br N O4 -","- C52 H52 Br2 N2 O8 -","2","1","","John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco","Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes","Journal of Organic Chemistry","2011","76","","9792","9800","10.1021/jo2018922","","","0.71073","MoKα","","0.0564","0.0485","","","0.1331","0.151","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026777","13.589","0.003","21.416","0.006","16.083","0.003","90","","90.573","0.008","90","","4680.3","1.9","298.1","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C104 H122 N8 -","- C104 H122 N8 -","- C208 H244 N16 -","2","1","","Shi Li; Zhiying Jia; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Dehydro Side Coupling of Substituted Pentacene Derivatives","Journal of Organic Chemistry","2011","76","","9983","9987","10.1021/jo201659q","","","0.71075","MoKα","","","0.0651","","","","0.0886","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026778","18.795","0.01","11.342","0.006","8.188","0.004","90","","100.865","0.007","90","","1714.2","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H7 B Br4 F2 N2 -","- C15 H7 B Br4 F2 N2 -","- C60 H28 B4 Br16 F8 N8 -","4","0.5","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0407","0.0276","","","0.0632","0.0683","","","","","","1.029","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026779","13.367","0.002","18.949","0.003","7.8492","0.0013","90","","90.778","0.002","90","","1988","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H5 B Br6 F2 N2 -","- C15 H5 B Br6 F2 N2 -","- C60 H20 B4 Br24 F8 N8 -","4","0.5","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0638","0.0316","","","0.0669","0.0773","","","","","","1.019","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026780","21.8928","0.0007","21.8928","0.0007","6.3572","0.0004","90","","90","","90","","3047","0.2","293","2","293","2","","","","","","","","7","P 42 b c","P 4c -2ab","106","","","","- C16 H12 B Br F2 N2 O -","- C16 H12 B Br F2 N2 O -","- C128 H96 B8 Br8 F16 N16 O8 -","8","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0813","0.068","","","0.1921","0.2039","","","","","","1.058","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026781","7.346","0.004","10.948","0.006","20.674","0.012","90","","90.743","0.008","90","","1662.5","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 B Br2 F2 N2 O -","- C16 H11 B Br2 F2 N2 O -","- C64 H44 B4 Br8 F8 N8 O4 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.1707","0.0801","","","0.2032","0.251","","","","","","0.999","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026782","8.0077","0.0009","11.2415","0.0013","11.3767","0.0013","73.294","0.001","74.214","0.001","83.963","0.001","943.49","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H9 B Br4 F2 N2 O -","- C16 H9 B Br4 F2 N2 O -","- C32 H18 B2 Br8 F4 N4 O2 -","2","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0625","0.0419","","","0.1008","0.1114","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026783","11.1392","0.0008","9.0066","0.0006","19.8041","0.0014","90","","90.677","0.001","90","","1986.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 B Br5 F2 N2 O -","- C16 H8 B Br5 F2 N2 O -","- C64 H32 B4 Br20 F8 N8 O4 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0836","0.0446","","","0.1135","0.1285","","","","","","1.047","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026784","10.403","0.004","12.637","0.004","19.408","0.006","90","","106.107","0.016","90","","2451.3","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 B Br7 F2 N2 O -","- C16 H6 B Br7 F2 N2 O -","- C64 H24 B4 Br28 F8 N8 O4 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.2155","0.0742","","","0.1579","0.1744","","","","","","1.125","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026785","17.35","0.003","13.448","0.002","9.9745","0.0015","90","","93.922","0.002","90","","2321.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 B Br5 F2 N3 -","- C21 H11 B Br5 F2 N3 -","- C84 H44 B4 Br20 F8 N12 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.093","0.0433","","","0.0974","0.1157","","","","","","1.007","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026786","19.356","0.002","27.471","0.003","5.689","0.0007","90","","90","","90","","3025","0.6","293","2","293","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C29 H19 B Br4 F2 N2 S2 -","- C29 H19 B Br4 F2 N2 S2 -","- C116 H76 B4 Br16 F8 N8 S8 -","4","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.1053","0.0691","","","0.1624","0.184","","","","","","1.039","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026787","12.6861","0.0009","13.9611","0.001","14.4382","0.001","62.897","0.001","79.707","0.001","67.317","0.001","2100.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H33 B Br2 F2 N2 S4 -","- C43 H33 B Br2 F2 N2 S4 -","- C86 H66 B2 Br4 F4 N4 S8 -","2","1","","Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao","Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes","Journal of Organic Chemistry","2011","76","","9988","9996","10.1021/jo201754m","","","0.71073","MoKα","","0.0729","0.0395","","","0.0903","0.0976","","","","","","1.051","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026788","8.9375","0.0003","15.2834","0.0004","15.6299","0.0005","90","","95.811","0.001","90","","2124","0.11","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl5 N2 Ru -","- C16 H23 Cl5 N2 Ru -","- C64 H92 Cl20 N8 Ru4 -","4","1","","Cheng Chen; Yao Zhang; Soon Hyeok Hong","N-Heterocyclic Carbene Based Ruthenium-Catalyzed Direct Amide Synthesis from Alcohols and Secondary Amines: Involvement of Esters","Journal of Organic Chemistry","2011","76","","10005","10010","10.1021/jo201756z","","","0.71073","MoKα","","0.0309","0.0251","","","0.0662","0.0691","","","","","","1.06","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026789","11.3087","0.0005","8.2975","0.0003","11.8172","0.0005","90","","102.904","0.002","90","","1080.85","0.08","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 -","- C24 H32 N2 O3 -","- C48 H64 N4 O6 -","2","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0423","0.0346","","","0.0835","0.0905","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026790","12.6473","0.0002","8.4035","0.0001","22.6779","0.0003","90","","94.086","0.001","90","","2404.12","0.06","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O4 -","- C26 H36 N2 O4 -","- C104 H144 N8 O16 -","4","2","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0311","0.0297","","","0.0731","0.0748","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026791","8.3568","0.0003","14.9131","0.0005","20.9098","0.0007","90","","90","","90","","2605.9","0.15","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C112 H160 N8 O20 -","4","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0422","0.037","","","0.0906","0.0939","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026792","12.746","0.003","12.818","0.003","20.796","0.005","90","","90","","90","","3397.6","1.4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 Cl3 N2 O4 -","- C35 H41 Cl3 N2 O4 -","- C140 H164 Cl12 N8 O16 -","4","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","0.71073","MoKα","","0.0673","0.0444","","","0.084","0.0933","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026793","7.7869","0.0006","16.4712","0.0012","17.3078","0.0013","100.676","0.004","92.585","0.004","92.799","0.004","2175.5","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","ÎTBA2TCNQ5â","","","- C47 H50 N11 O -","- C47 H50 N11 O -","- C94 H100 N22 O2 -","2","1","","Jinzhen Lu; Xiaohu Qu; Germanas Peleckis; John F Boas; Alan M Bond; Lisandra L Martin","Synthesis and Structural Characterization of a TCNQ Based Organic Semi-Conducting Material with a 2:5 Stoichiometry","Journal of Organic Chemistry","2011","76","","10078","10082","10.1021/jo2018334","","","0.71073","MoKα","","0.1116","0.0661","","","0.1713","0.2022","","","","","","1.028","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026794","6.283","0.002","10.821","0.002","36.211","0.003","90","","90","","90","","2461.9","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N5 O10 -","- C22 H27 N5 O10 -","- C88 H108 N20 O40 -","4","1","","Anatol P. Spork; Daniel Wiegmann; Markus Granitzka; Dietmar Stalke; Christian Ducho","Stereoselective Synthesis of Uridine-Derived Nucleosyl Amino Acids","Journal of Organic Chemistry","2011","76","","10083","10098","10.1021/jo201935w","","","0.71073","MoKα","","0.0674","0.0656","","","0.1333","0.134","","","","","","1.243","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026795","25.823","0.008","25.671","0.009","26.199","0.009","90","","90","","90","","17367","10","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H68 N8 O4 -","- C45 H66 N8 O4 -","- C720 H1056 N128 O64 -","16","2","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","1.54178","CuKα","","0.1356","0.0694","","","0.1253","0.1467","","","","","","1.033","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026796","9.2544","0.0012","9.9125","0.0013","12.2581","0.0016","84.279","0.004","73.717","0.004","63.471","0.003","965.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 N2 O2 -","- C19 H30 N2 O2 -","- C38 H60 N4 O4 -","2","1","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","0.71073","MoKα","","0.0879","0.056","","","0.1446","0.1645","","","","","","1.035","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026797","15.256","0.003","25.707","0.005","13.471","0.003","90","","91.867","0.006","90","","5280.3","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 N10 O11 -","- C45 H72 N10 O11 -","- C180 H288 N40 O44 -","4","1","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","0.71073","MoKα","","0.1845","0.095","","","0.2265","0.2858","","","","","","1.006","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026798","13.148","0.003","23.572","0.006","19.584","0.005","90","","100.538","0.008","90","","5967","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C61 H96 F N9 -","- C61 H96 F N9 -","- C244 H384 F4 N36 -","4","1","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","0.71073","MoKα","","0.186","0.07","","","0.1657","0.2212","","","","","","0.994","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026799","9.6498","0.0005","9.7688","0.0004","16.9162","0.0008","90","","90","","90","","1594.64","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C56 H76 N4 O20 S4 -","4","1","","Santosh J. Gharpure; J. V. K. Prasad","Stereoselective Synthesis of C-Substituted Morpholine Derivatives using Reductive Etherification Reaction: Total Synthesis of Chelonin C","Journal of Organic Chemistry","2011","76","","10325","10331","10.1021/jo201975b","","","0.71073","MoKα","","0.0585","0.0407","","","0.0917","0.0993","","","","","","1.089","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026800","9.858","0.003","10.449","0.002","13.184","0.004","90","","96.313","0.007","90","","1349.8","0.6","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 F3 N O2 -","- C34 H32 F3 N O2 -","- C68 H64 F6 N2 O4 -","2","1","","Yulia Chapurina; Houssein Ibrahim; Régis Guillot; Emilie Kolodziej; Jacqueline Collin; Alexander Trifonov; Emmanuelle Schulz; Jérôme Hannedouche","Catalytic, Enantioselective Intramolecular Hydroamination of Primary Amines Tethered to Di- and Trisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","10163","10172","10.1021/jo202009q","","x-ray","0.71073","MoKα","","0.12","0.0567","","","0.1067","0.1289","","","","","","0.978","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026801","10.3717","0.0008","26.868","0.003","12.3492","0.0012","90","","90.89","0.002","90","","3440.9","0.6","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H83 Li N4 O4 Y -","- C84 H83 Li N4 O4 Y -","- C168 H166 Li2 N8 O8 Y2 -","2","1","","Yulia Chapurina; Houssein Ibrahim; Régis Guillot; Emilie Kolodziej; Jacqueline Collin; Alexander Trifonov; Emmanuelle Schulz; Jérôme Hannedouche","Catalytic, Enantioselective Intramolecular Hydroamination of Primary Amines Tethered to Di- and Trisubstituted Alkenes","Journal of Organic Chemistry","2011","76","","10163","10172","10.1021/jo202009q","","x-ray","0.71073","MoKα","","0.1153","0.0547","","","0.0876","0.1037","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026802","11.55","0.001","12.494","0.0011","19.908","0.003","95.16","0.01","104.4","0.01","112.71","0.008","2510.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H26 I N O9 -","- C75 H26 I N O9 -","- C150 H52 I2 N2 O18 -","2","1","","Yuming Yu; Xiang Xie; Tong Zhang; Shuming Liu; Yuanhua Shao; Liangbing Gan; Yuliang Li","Synthesis of 18-Membered Open-Cage Fullerenes through Controlled Stepwise Fullerene Skeleton Bond Cleavage Processes and Substituent-Mediated Tuning of the Redox Potential of Open-Cage Fullerenes","Journal of Organic Chemistry","2011","76","","10148","10153","10.1021/jo202014q","","","0.71073","MoKα","","0.0987","0.0707","","","0.1392","0.153","","","","","","1.112","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026803","11.987","0.004","10.059","0.004","12.949","0.005","90","","111.838","0.004","90","","1449.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 N2 O4 -","- C32 H46 N2 O4 -","- C64 H92 N4 O8 -","2","0.5","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0759","0.0483","","","0.1193","0.1392","","","","","","1.03","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026804","12.247","0.007","9.209","0.005","13.959","0.008","90","","114.35","0.007","90","","1434.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.1086","0.0557","","","0.1061","0.126","","","","","","0.982","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026805","7.425","0.003","8.152","0.004","11.99","0.005","78.823","0.007","79.424","0.006","66.947","0.006","650.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C30 H38 N2 O4 -","2","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0928","0.0881","","","0.2314","0.237","","","","","","1.078","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026806","7.721","0.008","13.669","0.014","18.145","0.018","90","","92.817","0.01","90","","1913","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.1769","0.0715","","","0.1364","0.1786","","","","","","1.004","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026807","22.9","0.03","9.06","0.011","18.57","0.02","90","","90.78","0.04","90","","3852","8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C160 H184 N8 O40 -","8","2","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0514","0.0394","","","0.0937","0.102","","","","","","1.022","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026808","7.228","0.0006","10.2719","0.0008","15.1769","0.0011","99.413","0.005","99.406","0.004","103.506","0.004","1056.75","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C46 H58 N2 O12 -","2","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.0904","0.0511","","","0.1141","0.1367","","","","","","1.004","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026809","8.632","0.007","11.038","0.009","12.753","0.011","105.682","0.008","95.718","0.009","110.662","0.007","1068.7","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C46 H58 N2 O12 -","2","1","","Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang","Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine","Journal of Organic Chemistry","2011","76","","10173","10186","10.1021/jo202042x","","","0.71073","MoKα","","0.1294","0.0785","","","0.2434","0.2693","","","","","","1.07","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026810","10.925","0.002","8.6147","0.0017","15.619","0.005","90","","126.37","0.02","90","","1183.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 N O3 -","- C12 H8 F3 N O3 -","- C48 H32 F12 N4 O12 -","4","1","","Feifei Zhao; Xin Liu; Rui Qi; Daisy Zhang-Negrerie; Jianhui Huang; Yunfei Du; Kang Zhao","Synthesis of 2-(Trifluoromethyl)oxazoles from β-Monosubstituted Enamines via PhI(OCOCF3)2-Mediated Trifluoroacetoxylation and Cyclization","Journal of Organic Chemistry","2011","76","","10338","10344","10.1021/jo202070h","","","0.71073","MoKα","","0.1304","0.0756","","","0.1941","0.2353","","","","","","1.193","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026811","7.317","0.0002","10.796","0.0003","15.19","0.0005","90","","116.288","0.002","90","","1075.83","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Joanna Piechowska; Daniel T. Gryko","Preparation of a Family of 10-Hydroxybenzo[h]quinoline Analogues via a Modified Sanford Reaction and Their Excited State Intramolecular Proton Transfer Properties","Journal of Organic Chemistry","2011","76","","10220","10228","10.1021/jo202072d","","","0.71073","MoKα","","0.0394","0.0358","","","0.0936","0.0968","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026812","40.531","0.003","40.531","0.003","4.3751","0.0004","90","","90","","120","","6224.3","0.9","223","2","223","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H20 N2 O2 -","- C36 H20 N2 O2 -","- C324 H180 N18 O18 -","9","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.1226","0.069","","","0.1007","0.1077","","","","","","1.727","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026813","16.3473","0.0014","8.9927","0.0008","23.966","0.002","90","","94.853","0.002","90","","3510.5","0.5","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 N4 O2 -","- C40 H30 N4 O2 -","- C160 H120 N16 O8 -","4","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.1108","0.0722","","","0.1963","0.22","","","","","","1.009","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026814","20.44","0.004","5.8011","0.0011","30.416","0.006","90","","108.933","0.005","90","","3411.4","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cl2 N6 O2 -","- C39 H30 Cl2 N6 O2 -","- C156 H120 Cl8 N24 O8 -","4","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.2044","0.0659","","","0.1477","0.1821","","","","","","0.908","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026815","9.302","0.005","8.916","0.004","19.097","0.009","90","","104.096","0.001","90","","1536.1","1.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-(dimethylamino)-4-methylphenyl)naphthalen-2-ol","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Malapaka Chandrasekharam; Barreddi Chiranjeevi; Kankatala S. V. Gupta; B. Sridhar","Iron-Catalyzed Regioselective Direct Oxidative Aryl-Aryl Cross-Coupling","Journal of Organic Chemistry","2011","76","","10229","10235","10.1021/jo202152b","","x-ray","0.71073","MoKα","","0.054","0.0443","","","0.1231","0.1312","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4029732","6.8215","0.0001","13.434","0.0003","17.9267","0.0004","90","","90","","90","","1642.8","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 Si -","- C18 H22 O2 Si -","- C72 H88 O8 Si4 -","4","1","","Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert","Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis.","Beilstein journal of organic chemistry","2011","7","","1315","1322","10.3762/bjoc.7.154","","","0.71073","MoKα","","0.0427","0.0291","","0.0573","0.0342","0.0342","","","","","","0.7515","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029733","8.855","0.004","28.605","0.014","11.19","0.005","90","","96.194","0.007","90","","2818","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 Si2 -","- C18 H22 O2 Si2 -","- C108 H132 O12 Si12 -","6","3","","Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert","Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis.","Beilstein journal of organic chemistry","2011","7","","1315","1322","10.3762/bjoc.7.154","","","0.71073","MoKα","","0.17","0.0346","","0.0663","0.0267","0.0267","","","","","","0.8073","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029738","8.806","0.0009","17.5089","0.0012","11.1635","0.0011","90","","111.693","0.012","90","","1599.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 N6 Na2 -","- C28 H52 N6 Na2 -","- C56 H104 N12 Na4 -","2","0.5","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.085","0.0471","","","0.1052","0.1133","","","","","","0.905","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029739","9.3229","0.0002","20.0052","0.0004","26.2813","0.0006","86.732","0.002","82.721","0.002","87.247","0.002","4850.1","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H164 N13 Na3 Zn4 -","- C82 H164 N13 Na3 Zn4 -","- C164 H328 N26 Na6 Zn8 -","2","1","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.0996","0.0413","","","0.0618","0.068","","","","","","0.809","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029740","16.1371","0.0005","17.2078","0.0005","21.6306","0.0005","90","","90","","90","","6006.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H53 N4 Na Zn -","- C27 H53 N4 Na Zn -","- C216 H424 N32 Na8 Zn8 -","8","1","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.0787","0.0371","","","0.0806","0.0853","","","","","","0.881","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029745","7.9547","0.0004","11.9678","0.0004","15.5015","0.0006","90","0","101.144","0.0021","90","0","1447.92","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br4 O2 -","- C14 H10 Br4 O2 -","- C56 H40 Br16 O8 -","4","1","","Berkil Akar, Kiymet; Cakmak, Osman; Büyükgüngör, Orhan; Sahin, Ertan","Functionalization of anthracene: A selective route to brominated 1,4-anthraquinones.","Beilstein journal of organic chemistry","2011","7","","1036","1045","10.3762/bjoc.7.118","","x-ray","0.71073","MoKα","","0.1022","0.0686","","","0.0876","0.0952","","","","","","1.217","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029750","12.8322","0.0006","13.232","0.0007","11.1619","0.0005","90","","115.092","0.003","90","","1716.38","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br4 O2 -","- C16 H14 Br4 O2 -","- C64 H56 Br16 O8 -","4","1","","Berkil Akar, Kiymet; Cakmak, Osman; Büyükgüngör, Orhan; Sahin, Ertan","Functionalization of anthracene: A selective route to brominated 1,4-anthraquinones.","Beilstein journal of organic chemistry","2011","7","","1036","1045","10.3762/bjoc.7.118","","","0.71073","MoKα","","0.0776","0.0484","","","0.0843","0.0931","","","","","","1.069","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029756","9.2786","0.0007","25.5371","0.0019","10.1633","0.0007","90","","104.948","0.001","90","","2326.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Au I N3 O3 -","- C24 H23 Au I N3 O3 -","- C96 H92 Au4 I4 N12 O12 -","4","2","","Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min","Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis.","Beilstein journal of organic chemistry","2011","7","","555","564","10.3762/bjoc.7.64","","","0.71073","MoKα","","0.0523","0.0478","","","0.1273","0.1296","","","","","","1","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029760","9.8872","0.0008","16.8643","0.0014","16.8744","0.0015","90","","100.713","0.002","90","","2764.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 I N3 O3 Pd -","- C27 H28 I N3 O3 Pd -","- C108 H112 I4 N12 O12 Pd4 -","4","1","","Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min","Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis.","Beilstein journal of organic chemistry","2011","7","","555","564","10.3762/bjoc.7.64","","","0.71073","MoKα","","0.078","0.0491","","","0.1007","0.1109","","","","","","0.936","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029765","22.9943","0.0004","6.7284","0.0001","23.2627","0.0004","90","","112.879","0.001","90","","3315.94","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","2","","Sow, Boubacar; Bellavance, Gabriel; Barabé, Francis; Barriault, Louis","One-pot Diels-Alder cycloaddition/gold(I)-catalyzed 6-endo-dig cyclization for the synthesis of the complex bicyclo[3.3.1]alkenone framework.","Beilstein journal of organic chemistry","2011","7","","1007","1013","10.3762/bjoc.7.114","","","0.71073","MoKα","","0.0701","0.0423","","","0.0946","0.1064","","","","","","1.014","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029773","11.3537","0.0003","15.5301","0.0004","18.6701","0.0005","81.989","0.002","76.082","0.002","78.338","0.001","3115.09","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H97 N8 O6 P S -","- C63 H97 N8 O6 P S -","- C126 H194 N16 O12 P2 S2 -","2","1","","Makuc, Damjan; Hiscock, Jennifer R.; Light, Mark E.; Gale, Philip A.; Plavec, Janez","NMR studies of anion-induced conformational changes in diindolylureas and diindolylthioureas.","Beilstein journal of organic chemistry","2011","7","","1205","1214","10.3762/bjoc.7.140","","","0.71073","MoKα","","0.1427","0.0779","","","0.1773","0.2069","","","","","","1.03","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029777","13.3991","0.0005","8.2341","0.0003","22.8014","0.0008","90","","96.356","0.002","90","","2500.2","0.16","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","","Cadman, Christopher J.; Croft, Anna K.","Anion-π interactions influence pK(a) values.","Beilstein journal of organic chemistry","2011","7","","320","328","10.3762/bjoc.7.42","","","0.71073","MoKα","","0.0821","0.0553","","","0.1463","0.1638","","","","","","1.046","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029780","9.2883","0.0009","11.2794","0.0011","11.673","0.0012","62.356","0.001","89.008","0.001","89.893","0.001","1083.15","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O8 -","- C26 H20 O8 -","- C52 H40 O16 -","2","1","","Arimura, Junya; Mizuta, Tsutomu; Hiraga, Yoshikazu; Abe, Manabu","Formation of macrocyclic lactones in the Paternò-Büchi dimerization reaction.","Beilstein journal of organic chemistry","2011","7","","265","269","10.3762/bjoc.7.35","","","0.71073","MoKα","","0.0389","0.0356","","","0.1021","0.106","","","","","","0.984","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4063349","12.697","0.003","16.784","0.004","15.897","0.004","90","","91.2","0.003","90","","3387","1.4","123.1","","123.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H49 B F24 P2 Ru -","- C72 H49 B F24 P2 Ru -","- C144 H98 B2 F48 P4 Ru2 -","2","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.0505","","","","0.1119","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063350","12.725","0.003","14.534","0.003","20.587","0.004","72.528","0.004","87.562","0.006","83.046","0.005","3605","1.3","123.1","","123.1","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H58 B F24 O P2 Ru -","- C81 H58 B F24 O P2 Ru -","- C162 H116 B2 F48 O2 P4 Ru2 -","2","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.0783","","","","0.2188","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063351","25.14","0.003","18.189","0.002","16.2652","0.0018","90","","90","","90","","7437.6","1.5","123.1","","123.1","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C81 H56 B F24 P3 Ru -","- C81 H56 B F24 P3 Ru -","- C324 H224 B4 F96 P12 Ru4 -","4","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.0398","","","","0.0912","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063352","12.691","0.003","15.192","0.003","19.27","0.004","69.846","0.004","84.795","0.007","82.398","0.006","3453.1","1.3","123.1","","123.1","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H59 B F24 P3 Ru -","- C74 H52 B F24 P3 Ru -","- C148 H104 B2 F48 P6 Ru2 -","2","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.0647","","","","0.1617","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063353","12.851","0.003","16.021","0.003","19.4","0.004","102.177","0.003","101.918","0.003","93.3032","0.0015","3798.7","1.4","123.1","","123.1","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H56 B F24 O3 P3 Ru -","- C81 H56 B F24.01 O3 P3 Ru -","- C162 H112 B2 F48.02 O6 P6 Ru2 -","2","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.0754","","","","0.1679","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063354","20.985","0.005","16.589","0.004","21.235","0.005","90","","94.661","0.003","90","","7368","3","123.1","","123.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H55 B F24 O P2 Ru -","- C82 H55 B F24 O P2 Ru -","- C328 H220 B4 F96 O4 P8 Ru4 -","4","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.1661","","","","0.3203","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063355","16.31","0.002","20.172","0.003","21.551","0.003","90","","93.3977","0.0014","90","","7077.9","1.7","123.1","","123.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H58 B F24 N P2 Ru -","- C75 H58 B F24 N P2 Ru -","- C300 H232 B4 F96 N4 P8 Ru4 -","4","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.057","","","","0.1401","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063356","15.385","0.004","16.247","0.004","17.241","0.004","108.781","0.002","109.219","0.0011","101.699","0.0018","3615.7","1.5","123.1","","123.1","","","","","","","","","6","P -1","-P 1","2","","","","- C81 H56 B F24 Fe P3 -","- C81 H56 B F24 Fe P3 -","- C162 H112 B2 F48 Fe2 P6 -","2","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.0626","","","","0.1671","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063357","12.0338","0.0003","15.1641","0.0005","15.8446","0.0004","94.807","0.002","102.265","0.002","111.302","0.003","2590.85","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H84 Cl2 N5 O P Ru -","- C50 H84 Cl2 N5 O P Ru -","- C100 H168 Cl4 N10 O2 P2 Ru2 -","2","1","","Dunbar, Miles A.; Balof, Shawna L.; Roberts, Adam N.; Valente, Edward J.; Schanz, Hans-Jörg","pH-Responsive Ruthenium-Based Olefin Metathesis Catalysts: Controlled Ring-Opening Metathesis Polymerization in Alcoholic and Aqueous Media upon Acid Addition","Organometallics","2011","30","2","199","203","10.1021/om100633f","","","0.71073","MoKα","","0.0762","0.054","","","0.1222","0.1261","","","","","","1.008","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063358","31.2038","0.0012","8.7691","0.0003","31.6887","0.0014","90","","91.144","0.004","90","","8669.2","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H66 Cl2 N5 P Ru -","- C42 H66 Cl2 N5 P Ru -","- C336 H528 Cl16 N40 P8 Ru8 -","8","1","","Dunbar, Miles A.; Balof, Shawna L.; Roberts, Adam N.; Valente, Edward J.; Schanz, Hans-Jörg","pH-Responsive Ruthenium-Based Olefin Metathesis Catalysts: Controlled Ring-Opening Metathesis Polymerization in Alcoholic and Aqueous Media upon Acid Addition","Organometallics","2011","30","2","199","203","10.1021/om100633f","","","0.71073","MoKα","","0.1842","0.0355","","","0.0487","0.0594","","","","","","0.596","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063359","10.8874","0.0015","10.8874","0.0015","13.79","0.003","90","","90","","90","","1634.6","0.5","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H28 Li N8 Pr S4 -","- C24 H28 Li N8 Pr S4 -","- C48 H56 Li2 N16 Pr2 S8 -","2","0.25","","Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping","Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization","Organometallics","2011","30","2","208","214","10.1021/om100671s","","","0.71073","MoKα","","0.0223","0.0222","","","0.0623","0.0624","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063360","10.8371","0.0015","10.8371","0.0015","13.748","0.003","90","","90","","90","","1614.6","0.5","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H28 Li N8 S4 Sm -","- C24 H28 Li N8 S4 Sm -","- C48 H56 Li2 N16 S8 Sm2 -","2","0.25","","Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping","Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization","Organometallics","2011","30","2","208","214","10.1021/om100671s","","","0.71073","MoKα","","0.0232","0.0231","","","0.0673","0.0673","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063361","10.8407","0.0015","10.8407","0.0015","13.72","0.003","90","","90","","90","","1612.4","0.5","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H28 Eu Li N8 S4 -","- C24 H28 Eu Li N8 S4 -","- C48 H56 Eu2 Li2 N16 S8 -","2","0.25","","Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping","Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization","Organometallics","2011","30","2","208","214","10.1021/om100671s","","","0.71073","MoKα","","0.0222","0.0222","","","0.0646","0.0646","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063362","10.07","0.002","10.085","0.002","14.158","0.003","103","0.03","93.27","0.03","113.14","0.03","1271.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C52 H52 N12 O4 S4 -","4","2","","Li, Hong-Xi; Cheng, Mei-Ling; Wang, He-Ming; Yang, Xiao-Juan; Ren, Zhi-Gang; Lang, Jian-Ping","Lanthanide(III) 4,6-Dimethylpyrimidine-2-thionate Complexes as Efficient Catalysts for Isocyanate Cyclodimerization","Organometallics","2011","30","2","208","214","10.1021/om100671s","","","0.71073","MoKα","","0.1111","0.0709","","","0.1602","0.1848","","","","","","1.019","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063363","7.778","0.0014","15.665","0.002","19.09","0.003","90","","90","","90","","2326","0.6","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C11 H13 Cl Pd S -","- C11 H13 Cl Pd S -","- C88 H104 Cl8 Pd8 S8 -","8","1","","Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola","Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation","Organometallics","2011","30","2","230","","10.1021/om1007264","","x-ray","0.71073","MoKα","","0.0379","0.0358","","","0.0848","0.0865","","","","","","1.062","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063364","9.25","0.002","9.137","0.002","15.844","0.004","90","","102.702","0.009","90","","1306.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl Pd S -","- C12 H15 Cl Pd S -","- C48 H60 Cl4 Pd4 S4 -","4","1","","Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola","Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation","Organometallics","2011","30","2","230","","10.1021/om1007264","","x-ray","0.71073","MoKα","","0.056","0.049","","","0.1072","0.1111","","","","","","1.137","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063365","14.315","0.003","9.8835","0.0019","20.117","0.004","90","","102.401","0.007","90","","2779.8","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 B F4 P Pd S -","- C29 H28 B F4 P Pd S -","- C116 H112 B4 F16 P4 Pd4 S4 -","4","1","","Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola","Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation","Organometallics","2011","30","2","230","","10.1021/om1007264","","x-ray","0.71073","MoKα","","0.1214","0.102","","","0.1462","0.1533","","","","","","1.25","","","","has coordinates,has disorder","178528","2020-10-21","18:00:00",""
"4063366","14.005","0.004","13.835","0.003","15.73","0.005","90","","107.523","0.009","90","","2906.4","1.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H30 B F4 P Pd S -","- C30 H30 B F4 P Pd S -","- C120 H120 B4 F16 P4 Pd4 S4 -","4","1","","Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola","Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation","Organometallics","2011","30","2","230","","10.1021/om1007264","","x-ray","0.71073","MoKα","","0.0532","0.0442","","","0.0951","0.0994","","","","","","1.076","","","","has coordinates,has disorder","209531","2020-10-21","18:00:00",""
"4063367","12.515","0.004","7.748","0.002","17.078","0.005","90","","102.484","0.004","90","","1616.8","0.8","113.1","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl2 O5 Rh -","- C14 H11 Cl2 O5 Rh -","- C56 H44 Cl8 O20 Rh4 -","4","1","","Kashiwabara, Taigo; Tanaka, Masato","Arylglyoxylrhodium Complexes, Their Thermolysis, and Attempted Generation by Carbonylation of an Aroylrhodium Complex","Organometallics","2011","30","2","239","244","10.1021/om101079e","","","0.7107","MoKα","","","0.023","","","","0.024","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063368","9.6666","0.0017","15.015","0.003","17.43","0.003","90","","90","","90","","2529.9","0.8","113.1","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H7 F5 O4 -","- C13 H7 F5 O4 -","- C104 H56 F40 O32 -","8","1","","Kashiwabara, Taigo; Tanaka, Masato","Arylglyoxylrhodium Complexes, Their Thermolysis, and Attempted Generation by Carbonylation of an Aroylrhodium Complex","Organometallics","2011","30","2","239","244","10.1021/om101079e","","","0.7107","MoKα","","","0.0514","","","","0.0665","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063369","11.3342","0.001","17.516","0.0016","32.797","0.003","90","","90","","90","","6511.2","1","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H27 N O -","- C17 H27 N O -","- C272 H432 N16 O16 -","16","2","","Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A.","Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization","Organometallics","2011","30","2","251","262","10.1021/om1008742","","","0.71073","MoKα","","0.0658","0.0546","","","0.1423","0.1583","","","","","","1.116","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063370","15.8229","0.0006","11.8056","0.0005","18.9863","0.0008","90","","99.439","0.001","90","","3498.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Hf N2 -","- C40 H52 Hf N2 -","- C160 H208 Hf4 N8 -","4","1","","Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A.","Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization","Organometallics","2011","30","2","251","262","10.1021/om1008742","","","0.71073","MoKα","","0.0404","0.0341","","","0.085","0.09","","","","","","1.015","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063371","10.3947","0.0004","10.7129","0.0005","16.4069","0.0007","91.585","0.001","107.552","0.001","93.682","0.001","1736.25","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 Hf N2 -","- C40 H52 Hf N2 -","- C80 H104 Hf2 N4 -","2","1","","Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A.","Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization","Organometallics","2011","30","2","251","262","10.1021/om1008742","","","0.71073","MoKα","","0.0432","0.0413","","","0.1195","0.1212","","","","","","1.199","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063372","30.544","0.004","9.7191","0.001","17.1078","0.0018","90","","110.61","0.003","90","","4753.6","0.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Hf N2 -","- C22 H40 Hf N2 -","- C176 H320 Hf8 N16 -","8","1","","Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A.","Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization","Organometallics","2011","30","2","251","262","10.1021/om1008742","","","0.71073","MoKα","","0.039","0.0334","","","0.084","0.0875","","","","","","1.056","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063373","11.0734","0.0002","26.3223","0.0004","11.6259","0.0002","90","","101.831","0.001","90","","3316.7","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl2 Zr -","- C38 H44 Cl2 Zr -","- C152 H176 Cl8 Zr4 -","4","1","","Kirillov, Evgeny; Marquet, Nicolas; Bader, Manuela; Razavi, Abbas; Belia, Vincenzo; Hampel, Frank; Roisnel, Thierry; Gladysz, John A.; Carpentier, Jean-François","Chiral-at-ansa-Bridged Group 4 Metallocene Complexes {(R1R2C)-(3,6-tBu2Flu)(3-R3-5-Me-C5H2)}MCl2: Synthesis, Structure, Stereochemistry, and Use in Highly Isoselective Propylene Polymerization","Organometallics","2011","30","2","263","272","10.1021/om100897j","","","0.71073","MoKα","","0.0598","0.0358","","","0.0897","0.1103","","","","","","1.025","","","","has coordinates","218790","2020-10-21","18:00:00",""
"4063374","10.1294","0.0004","18.5232","0.0009","20.7106","0.0009","90","","95.147","0.002","90","","3870.2","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 Cl2 Zr -","- C46 H52 Cl2 Zr -","- C184 H208 Cl8 Zr4 -","4","1","","Kirillov, Evgeny; Marquet, Nicolas; Bader, Manuela; Razavi, Abbas; Belia, Vincenzo; Hampel, Frank; Roisnel, Thierry; Gladysz, John A.; Carpentier, Jean-François","Chiral-at-ansa-Bridged Group 4 Metallocene Complexes {(R1R2C)-(3,6-tBu2Flu)(3-R3-5-Me-C5H2)}MCl2: Synthesis, Structure, Stereochemistry, and Use in Highly Isoselective Propylene Polymerization","Organometallics","2011","30","2","263","272","10.1021/om100897j","","x-ray","0.71073","MoKα","","0.0625","0.0505","","","0.1079","0.1151","","","","","","1.057","","","","has coordinates","218790","2020-10-21","18:00:00",""
"4063375","11.0044","0.0008","26.201","0.002","11.5564","0.0009","90","","101.67","0.002","90","","3263.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl2 Hf -","- C38 H44 Cl2 Hf -","- C152 H176 Cl8 Hf4 -","4","1","","Kirillov, Evgeny; Marquet, Nicolas; Bader, Manuela; Razavi, Abbas; Belia, Vincenzo; Hampel, Frank; Roisnel, Thierry; Gladysz, John A.; Carpentier, Jean-François","Chiral-at-ansa-Bridged Group 4 Metallocene Complexes {(R1R2C)-(3,6-tBu2Flu)(3-R3-5-Me-C5H2)}MCl2: Synthesis, Structure, Stereochemistry, and Use in Highly Isoselective Propylene Polymerization","Organometallics","2011","30","2","263","272","10.1021/om100897j","","x-ray","0.71073","MoKα","","0.0443","0.0402","","","0.1048","0.108","","","","","","1.041","","","","has coordinates","218790","2020-10-21","18:00:00",""
"4063376","11.542","0.001","13.219","0.001","22.043","0.003","98.66","0.01","97.85","0.01","91.23","0.01","3290.6","0.6","110","1","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 Cl2 Hf -","- C38 H44 Cl2 Hf -","- C152 H176 Cl8 Hf4 -","4","2","","Kirillov, Evgeny; Marquet, Nicolas; Bader, Manuela; Razavi, Abbas; Belia, Vincenzo; Hampel, Frank; Roisnel, Thierry; Gladysz, John A.; Carpentier, Jean-François","Chiral-at-ansa-Bridged Group 4 Metallocene Complexes {(R1R2C)-(3,6-tBu2Flu)(3-R3-5-Me-C5H2)}MCl2: Synthesis, Structure, Stereochemistry, and Use in Highly Isoselective Propylene Polymerization","Organometallics","2011","30","2","263","272","10.1021/om100897j","","","0.71073","MoKα","","0.041","0.0199","","","0.0419","0.0443","","","","","","0.881","","","","has coordinates","218790","2020-10-21","18:00:00",""
"4063377","10.4377","0.0002","21.6825","0.0006","13.6979","0.0003","90","","106.509","0.001","90","","2972.25","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Zr -","- C32 H40 Cl2 Zr -","- C128 H160 Cl8 Zr4 -","4","1","","Kirillov, Evgeny; Marquet, Nicolas; Bader, Manuela; Razavi, Abbas; Belia, Vincenzo; Hampel, Frank; Roisnel, Thierry; Gladysz, John A.; Carpentier, Jean-François","Chiral-at-ansa-Bridged Group 4 Metallocene Complexes {(R1R2C)-(3,6-tBu2Flu)(3-R3-5-Me-C5H2)}MCl2: Synthesis, Structure, Stereochemistry, and Use in Highly Isoselective Propylene Polymerization","Organometallics","2011","30","2","263","272","10.1021/om100897j","","","0.71073","MoKα","","0.0512","0.0335","","","0.0836","0.0954","","","","","","1.045","","","","has coordinates","218790","2020-10-21","18:00:00",""
"4063378","26.5354","0.001","26.5354","0.001","9.0872","0.0004","90","","90","","90","","6398.5","0.4","100","2","100","2","","","","","","","","5","I -4","I -4","82","","{(hapto^6^-p-cymene)[N-(2-chloro-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)kappaN'-(1-kappaN-pyridin-2-yl-methylidene)]azine chlorido- ruthenium(II)} chloride","","- C31 H28 Cl3 N5 Ru -","- C31 H28 Cl3 N5 Ru -","- C248 H224 Cl24 N40 Ru8 -","8","1","","Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B.","Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity","Organometallics","2011","30","2","273","283","10.1021/om101004z","","","0.71073","MoKα","","0.0848","0.0593","","","0.1509","0.1646","","","","","","1.034","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063379","10.735","0.0004","12.0515","0.0004","25.1678","0.0009","90","","94.293","0.002","90","","3246.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{(hapto^6^-p-cymene)[N-(2-chloro-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)kappaN'-(1-kappaN-pyridin-2-yl-ethylidene)]azine chlorido- ruthenium(II)} chloride ethanol solvate","","- C34 H36 Cl3 N5 O Ru -","- C34 H36 Cl3 N5 O Ru -","- C136 H144 Cl12 N20 O4 Ru4 -","4","1","","Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B.","Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity","Organometallics","2011","30","2","273","283","10.1021/om101004z","","","0.71073","MoKα","","0.0785","0.0542","","","0.1462","0.1581","","","","","","1.092","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063380","17.2834","0.0005","14.0348","0.0005","29.468","0.0011","90","","106.416","0.004","90","","6856.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{(hapto^6^-p-cymene)[N-(2-chloro-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)kappaN'-(1-kappaN-pyridin-2-yl-methylidene)]azine chlorido- osmium(II)} chloride diethyl ether water solvate","","- C128 H134 Cl12 N20 O7 Os4 -","- C128 H122 Cl12 N20 O7 Os4 -","- C256 H244 Cl24 N40 O14 Os8 -","2","0.25","","Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B.","Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity","Organometallics","2011","30","2","273","283","10.1021/om101004z","","","0.71073","MoKα","","0.0802","0.0546","","","0.1299","0.1388","","","","","","1.084","","","","has coordinates,has disorder","178528","2020-10-21","18:00:00",""
"4063381","10.4899","0.0003","11.8881","0.0003","25.139","0.0008","90","","95.195","0.002","90","","3122.08","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{(hapto^6^-p-cymene)[N-(5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)kappaN'-(1-kappaN-pyridin-2-yl-ethylidene)]azine chlorido- ruthenium(II)} chloride hydrate","","- C32 H34.4 Cl2 N5 O1.7 Ru -","- C32 H31 Cl2 N5 O1.7 Ru -","- C128 H124 Cl8 N20 O6.8 Ru4 -","4","1","","Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B.","Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity","Organometallics","2011","30","2","273","283","10.1021/om101004z","","","0.71073","MoKα","","0.0694","0.0504","","","0.1278","0.1363","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063382","10.6834","0.0011","12.0598","0.0012","25.482","0.003","90","","93.08","0.007","90","","3278.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{(hapto^6^-p-cymene)[N-(2-methyl-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)kappaN'-(1-kappaN-pyridin-2-yl-methylidene)]azine chlorido- ruthenium(II)} chloride","","- C34 H36.4 Cl2 N5 O0.7 Ru -","- C34 H36 Cl2 N5 O0.7 Ru -","- C136 H144 Cl8 N20 O2.8 Ru4 -","4","1","","Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B.","Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity","Organometallics","2011","30","2","273","283","10.1021/om101004z","","","0.71073","MoKα","","0.1119","0.0637","","","0.1602","0.1836","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063383","11.69","0.002","21.276","0.004","25.898","0.004","90","","102.712","0.009","90","","6283.4","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{(hapto^6^-p-cymene)[N-(2-methyl-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)kappaN'-(1-kappaN-pyridin-2-yl-ethylidene)]azine chlorido- osmium(II)} chloride hydrate","","- C33 H35 Cl2 N5 O Os -","- C33 H33 Cl2 N5 O Os -","- C264 H264 Cl16 N40 O8 Os8 -","8","1","","Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B.","Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity","Organometallics","2011","30","2","273","283","10.1021/om101004z","","","0.71073","MoKα","","0.235","0.0915","","","0.1831","0.2343","","","","","","1.012","","","","has coordinates,has disorder","178528","2020-10-21","18:00:00",""
"4063384","9.1799","0.0003","18.3635","0.0006","15.4817","0.0005","90","","90.148","0.002","90","","2609.82","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tris[2-((dimethylamino)methyl)phenyl]bismuthane","","- C27 H36 Bi N3 -","- C27 H36 Bi N3 -","- C108 H144 Bi4 N12 -","4","2","","Schulz, Axel; Villinger, Alexander","Mono- and Diazides of Bismuth","Organometallics","2011","30","2","284","289","10.1021/om1009796","","","0.71073","MoKα","","0.0426","0.0256","","","0.0482","0.0513","","","","","","0.916","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063385","11.895","0.006","7.544","0.004","14.235","0.008","90","","103.054","0.01","90","","1244.4","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[2-((dimethylamino)methyl)phenyl]diazidobismuthane","","- C18 H24 Bi2 N14 -","- C18 H24 Bi2 N14 -","- C36 H48 Bi4 N28 -","2","0.5","","Schulz, Axel; Villinger, Alexander","Mono- and Diazides of Bismuth","Organometallics","2011","30","2","284","289","10.1021/om1009796","","","0.71073","MoKα","","0.0263","0.0201","","","0.0484","0.0503","","","","","","1.051","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063386","9.551","0.005","16.309","0.009","12.638","0.006","90","","91.552","0.009","90","","1967.9","1.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[2-((dimethylamino)methyl)phenyl]iodobismuthane","","- C18 H24 Bi I N2 -","- C18 H24 Bi I N2 -","- C72 H96 Bi4 I4 N8 -","4","1","","Schulz, Axel; Villinger, Alexander","Mono- and Diazides of Bismuth","Organometallics","2011","30","2","284","289","10.1021/om1009796","","","0.71073","MoKα","","0.0248","0.0187","","","0.0401","0.0412","","","","","","1.053","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063387","8.558","0.004","16.135","0.007","13.864","0.006","90","","90.329","0.019","90","","1914.4","1.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis[2-((dimethylamino)methyl)phenyl]azidobismuthane","","- C18 H24 Bi N5 -","- C18 H24 Bi N5 -","- C72 H96 Bi4 N20 -","4","1","","Schulz, Axel; Villinger, Alexander","Mono- and Diazides of Bismuth","Organometallics","2011","30","2","284","289","10.1021/om1009796","","","0.71073","MoKα","","0.0266","0.0198","","","0.0452","0.0464","","","","","","1.02","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063388","11.137","0.004","14.984","0.005","16.85","0.006","82.866","0.008","81.808","0.007","88.481","0.007","2761.5","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H68 B F3 P6 S4 W3 -","- C42 H68 B F3 P6 S4 W3 -","- C84 H136 B2 F6 P12 S8 W6 -","2","1","","Beltrán, Tomás F.; Feliz, Marta; Llusar, Rosa; Mata, Jose A.; Safont, Vicent S.","Mechanism of the Catalytic Hydrodefluorination of Pentafluoropyridine by Group Six Triangular Cluster Hydrides Containing Phosphines: A Combined Experimental and Theoretical Study","Organometallics","2011","30","2","290","297","10.1021/om1009878","","x-ray","0.71073","MoKα","","0.1341","0.0594","","","0.0817","0.1009","","","","","","1.04","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063389","12.8605","0.0014","30.179","0.003","11.5496","0.0013","90","","95.326","0.002","90","","4463.2","0.8","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H51 B20 Cl O Ru2 Se4 -","- C24 H51 B20 Cl O Ru2 Se4 -","- C96 H204 B80 Cl4 O4 Ru8 Se16 -","4","1","","Hu, Jiurong; Wen, Jialin; Wu, Dehong; Zhang, Rui; Liu, Guifeng; Jiang, Qibai; Li, Yizhi; Yan, Hong","Multinuclear Self-Assembly via a (p-Cymene)ruthenium Unit and ano-Carborane Selenolate Ligand","Organometallics","2011","30","2","298","304","10.1021/om1010275","","","0.71073","MoKα","","0.0676","0.0514","","","0.1392","0.1438","","","","","","1.056","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063390","21.901","0.005","20.48","0.005","24.603","0.006","90","","90","","90","","11035","5","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H116 B60 Cl2 Ru6 Se12 -","- C53 H116 B60 Cl2 Ru6 Se12 -","- C212 H464 B240 Cl8 Ru24 Se48 -","4","0.5","","Hu, Jiurong; Wen, Jialin; Wu, Dehong; Zhang, Rui; Liu, Guifeng; Jiang, Qibai; Li, Yizhi; Yan, Hong","Multinuclear Self-Assembly via a (p-Cymene)ruthenium Unit and ano-Carborane Selenolate Ligand","Organometallics","2011","30","2","298","304","10.1021/om1010275","","","0.71073","MoKα","","0.0505","0.0389","","","0.0982","0.1027","","","","","","1.087","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063391","28.816","0.004","16.863","0.003","18.751","0.003","90","","126.497","0.002","90","","7325","2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H70 B40 O2 Ru4 Se8 -","- C28 H70 B40 O2 Ru4 Se8 -","- C112 H280 B160 O8 Ru16 Se32 -","4","0.5","","Hu, Jiurong; Wen, Jialin; Wu, Dehong; Zhang, Rui; Liu, Guifeng; Jiang, Qibai; Li, Yizhi; Yan, Hong","Multinuclear Self-Assembly via a (p-Cymene)ruthenium Unit and ano-Carborane Selenolate Ligand","Organometallics","2011","30","2","298","304","10.1021/om1010275","","","0.71073","MoKα","","0.0473","0.0357","","","0.0861","0.0905","","","","","","1.066","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063392","17.2935","0.0009","16.6292","0.0008","24.1302","0.0012","90","","104.12","0.001","90","","6729.6","0.6","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H69 B39 Cl2 O Ru4 Se8 -","- C29 H69 B39 Cl2 O Ru4 Se8 -","- C116 H276 B156 Cl8 O4 Ru16 Se32 -","4","1","","Hu, Jiurong; Wen, Jialin; Wu, Dehong; Zhang, Rui; Liu, Guifeng; Jiang, Qibai; Li, Yizhi; Yan, Hong","Multinuclear Self-Assembly via a (p-Cymene)ruthenium Unit and ano-Carborane Selenolate Ligand","Organometallics","2011","30","2","298","304","10.1021/om1010275","","","0.71073","MoKα","","0.0618","0.0486","","","0.1082","0.1115","","","","","","1.092","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063393","14.3288","0.0017","10.461","0.0013","16.249","0.002","90","","92.297","0.002","90","","2433.7","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 B10 O2 Ru Se2 -","- C16 H28 B10 O2 Ru Se2 -","- C64 H112 B40 O8 Ru4 Se8 -","4","1","","Hu, Jiurong; Wen, Jialin; Wu, Dehong; Zhang, Rui; Liu, Guifeng; Jiang, Qibai; Li, Yizhi; Yan, Hong","Multinuclear Self-Assembly via a (p-Cymene)ruthenium Unit and ano-Carborane Selenolate Ligand","Organometallics","2011","30","2","298","304","10.1021/om1010275","","","0.71073","MoKα","","0.085","0.0422","","","0.0803","0.0857","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063394","9.4966","0.0002","10.3904","0.0002","10.4713","0.0003","90","","108.894","0.002","90","","977.57","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","1'-carboxylic acid methylester-1'''-carboxylic acid azide biferrocene","1'-carboxylic acid methylester-1'''-carboxylic acid azide biferrocene","","- C23 H19 Fe2 N3 O3 -","- C23 H19 Fe2 N3 O3 -","- C46 H38 Fe4 N6 O6 -","2","1","","Siebler, Daniel; Förster, Christoph; Gasi, Teuta; Heinze, Katja","Biferrocene Amino Acid, a Ferrocenylogoue of Ferrocene Amino Acid: Synthesis, Cross-Linking, and Redox Chemistry","Organometallics","2011","30","2","313","327","10.1021/om1010808","","","0.71073","MoKα","","0.0562","0.0329","","","0.0713","0.0797","","","","","","0.924","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063395","9.6204","0.0003","10.2339","0.0003","10.5828","0.0003","90","","109.365","0.002","90","","982.97","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1',1'''-dicarboxylic acid diazide biferrocene","1',1'''-dicarboxylic acid diazide biferrocene","","- C22 H16 Fe2 N6 O2 -","- C22 H16 Fe2 N6 O2 -","- C44 H32 Fe4 N12 O4 -","2","0.5","","Siebler, Daniel; Förster, Christoph; Gasi, Teuta; Heinze, Katja","Biferrocene Amino Acid, a Ferrocenylogoue of Ferrocene Amino Acid: Synthesis, Cross-Linking, and Redox Chemistry","Organometallics","2011","30","2","313","327","10.1021/om1010808","","","0.71073","MoKα","","0.035","0.0287","","","0.0714","0.0747","","","","","","1.012","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063396","7.4681","0.0006","26.957","0.002","12.0817","0.0009","90","","105.512","0.005","90","","2343.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1'-carboxylic acid methylester-1'''-(tert-butoxycarbonylamino) biferrocene","1'-carboxylic acid methylester-1'''-(tert-butoxycarbonylamino) biferrocene","","- C27 H29 Fe2 N O4 -","- C27 H29 Fe2 N O4 -","- C108 H116 Fe8 N4 O16 -","4","1","","Siebler, Daniel; Förster, Christoph; Gasi, Teuta; Heinze, Katja","Biferrocene Amino Acid, a Ferrocenylogoue of Ferrocene Amino Acid: Synthesis, Cross-Linking, and Redox Chemistry","Organometallics","2011","30","2","313","327","10.1021/om1010808","","","0.71073","MoKα","","0.1076","0.0404","","","0.0636","0.0753","","","","","","0.802","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063397","7.8237","0.0004","14.0891","0.0007","14.8782","0.0007","66.94","0.001","83.267","0.001","84.575","0.001","1496.43","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","1'-carboxylic acid methylester-1'''-(tert-butoxycarbonylamino) biferrocenium triiodide","1'-carboxylic acid methylester-1'''-(tert-butoxycarbonylamino) biferrocenium triiodide","","- C27 H29 Fe2 I3 N O4 -","- C27 H29 Fe2 I3 N O4 -","- C54 H58 Fe4 I6 N2 O8 -","2","1","","Siebler, Daniel; Förster, Christoph; Gasi, Teuta; Heinze, Katja","Biferrocene Amino Acid, a Ferrocenylogoue of Ferrocene Amino Acid: Synthesis, Cross-Linking, and Redox Chemistry","Organometallics","2011","30","2","313","327","10.1021/om1010808","","","0.71073","MoKα","","0.049","0.0359","","","0.0906","0.1045","","","","","","1.08","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063398","11.6333","0.0005","12.4301","0.0005","13.7149","0.0006","81.649","0.003","81.282","0.003","68.245","0.002","1812.1","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","1',1'-ureylenedi(1'''-carboxylic acid methylester biferrocene)","1',1'-ureylenedi(1'''-carboxylic acid methylester biferrocene)","","- C45 H40 Fe4 N2 O5 -","- C45 H40 Fe4 N2 O5 -","- C90 H80 Fe8 N4 O10 -","2","1","","Siebler, Daniel; Förster, Christoph; Gasi, Teuta; Heinze, Katja","Biferrocene Amino Acid, a Ferrocenylogoue of Ferrocene Amino Acid: Synthesis, Cross-Linking, and Redox Chemistry","Organometallics","2011","30","2","313","327","10.1021/om1010808","","","0.71073","MoKα","","0.1404","0.0545","","","0.0972","0.118","","","","","","0.84","","","","has coordinates,has disorder","178528","2020-10-21","18:00:00",""
"4063399","10.953","0.003","14.23","0.004","22.311","0.006","85.601","0.01","80.273","0.011","71.19","0.009","3243.5","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H49 N O2 Sn2 W -","- C28 H49 N O2 Sn2 W -","- C112 H196 N4 O8 Sn8 W4 -","4","2","","Braunschweig, Holger; Dörfler, Rainer; Gruss, Katrin; Köhler, Julia; Radacki, Krzysztof","Insertion vs Ligand Exchange: Reactivity of DistannaAnsaHalf-Sandwich Complexes of Molybdenum and Tungsten toward Isocyanide and Phosphine Complexes of Nickel and Palladium","Organometallics","2011","30","2","305","312","10.1021/om101049d","","","0.71073","MoKα","","0.0208","0.0176","","","0.0545","0.0698","","","","","","1.32","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063400","18.123","0.0019","11.6141","0.0012","16.1766","0.0017","90","","93.124","0.002","90","","3399.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H55 O2 P Sn2 W -","- C29 H55 O2 P Sn2 W -","- C116 H220 O8 P4 Sn8 W4 -","4","1","","Braunschweig, Holger; Dörfler, Rainer; Gruss, Katrin; Köhler, Julia; Radacki, Krzysztof","Insertion vs Ligand Exchange: Reactivity of DistannaAnsaHalf-Sandwich Complexes of Molybdenum and Tungsten toward Isocyanide and Phosphine Complexes of Nickel and Palladium","Organometallics","2011","30","2","305","312","10.1021/om101049d","","","0.71073","MoKα","","0.0219","0.0191","","","0.0457","0.0472","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4063401","18.7809","0.0006","12.3651","0.0004","30.3829","0.0011","90","","102.904","0.001","90","","6877.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Mo N O2 Se Sn2 -","- C28 H49 Mo N O2 Se Sn2 -","- C224 H392 Mo8 N8 O16 Se8 Sn16 -","8","2","","Braunschweig, Holger; Dörfler, Rainer; Gruss, Katrin; Köhler, Julia; Radacki, Krzysztof","Insertion vs Ligand Exchange: Reactivity of DistannaAnsaHalf-Sandwich Complexes of Molybdenum and Tungsten toward Isocyanide and Phosphine Complexes of Nickel and Palladium","Organometallics","2011","30","2","305","312","10.1021/om101049d","","","0.71073","MoKα","","0.0352","0.0244","","","0.0487","0.0529","","","","","","1.021","","","","has coordinates,has disorder","178529","2020-10-21","18:00:00",""
"4063402","15.445","0.002","12.3236","0.0017","18.898","0.003","90","","102.354","0.002","90","","3513.7","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 N O2 Se Sn2 W -","- C28 H49 N O2 Se Sn2 W -","- C112 H196 N4 O8 Se4 Sn8 W4 -","4","1","","Braunschweig, Holger; Dörfler, Rainer; Gruss, Katrin; Köhler, Julia; Radacki, Krzysztof","Insertion vs Ligand Exchange: Reactivity of DistannaAnsaHalf-Sandwich Complexes of Molybdenum and Tungsten toward Isocyanide and Phosphine Complexes of Nickel and Palladium","Organometallics","2011","30","2","305","312","10.1021/om101049d","","","0.71073","MoKα","","0.0481","0.0346","","","0.0781","0.0844","","","","","","1.03","","","","has coordinates,has disorder","178529","2020-10-21","18:00:00",""
"4063403","15.314","0.006","12.144","0.004","19.069","0.007","90","","99.575","0.019","90","","3497","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 Mo N O2 Sn2 Te -","- C28 H49 Mo N O2 Sn2 Te -","- C112 H196 Mo4 N4 O8 Sn8 Te4 -","4","1","","Braunschweig, Holger; Dörfler, Rainer; Gruss, Katrin; Köhler, Julia; Radacki, Krzysztof","Insertion vs Ligand Exchange: Reactivity of DistannaAnsaHalf-Sandwich Complexes of Molybdenum and Tungsten toward Isocyanide and Phosphine Complexes of Nickel and Palladium","Organometallics","2011","30","2","305","312","10.1021/om101049d","","","0.71073","MoKα","","0.0779","0.044","","","0.0873","0.1122","","","","","","1.297","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063404","15.576","0.004","12.399","0.003","19.125","0.005","90","","102.502","0.004","90","","3606","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 N O2 Sn2 Te W -","- C28 H49 N O2 Sn2 Te W -","- C112 H196 N4 O8 Sn8 Te4 W4 -","4","1","","Braunschweig, Holger; Dörfler, Rainer; Gruss, Katrin; Köhler, Julia; Radacki, Krzysztof","Insertion vs Ligand Exchange: Reactivity of DistannaAnsaHalf-Sandwich Complexes of Molybdenum and Tungsten toward Isocyanide and Phosphine Complexes of Nickel and Palladium","Organometallics","2011","30","2","305","312","10.1021/om101049d","","","0.71073","MoKα","","0.058","0.0519","","","0.1092","0.1116","","","","","","1.269","","","","has coordinates,has disorder","178529","2020-10-21","18:00:00",""
"4063405","11.8836","0.0011","23.225","0.002","17.791","0.0016","90","","92.918","0.002","90","","4903.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H73 Mo N3 O2 Pd Sn2 -","- C44 H73 Mo N3 O2 Pd Sn2 -","- C176 H292 Mo4 N12 O8 Pd4 Sn8 -","4","1","","Braunschweig, Holger; Dörfler, Rainer; Gruss, Katrin; Köhler, Julia; Radacki, Krzysztof","Insertion vs Ligand Exchange: Reactivity of DistannaAnsaHalf-Sandwich Complexes of Molybdenum and Tungsten toward Isocyanide and Phosphine Complexes of Nickel and Palladium","Organometallics","2011","30","2","305","312","10.1021/om101049d","","","0.71073","MoKα","","0.0307","0.0254","","","0.0606","0.0645","","","","","","1.081","","","","has coordinates,has disorder","178529","2020-10-21","18:00:00",""
"4063406","12.056","0.0005","23.2372","0.0009","17.7022","0.0007","90","","93.083","0.002","90","","4952.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H75 N3 O2 Pd Sn2 W -","- C45.0028 H75.0032 N3 O2 Pd Sn2 W -","- C180.011 H300.013 N12 O8 Pd4 Sn8 W4 -","4","1","","Braunschweig, Holger; Dörfler, Rainer; Gruss, Katrin; Köhler, Julia; Radacki, Krzysztof","Insertion vs Ligand Exchange: Reactivity of DistannaAnsaHalf-Sandwich Complexes of Molybdenum and Tungsten toward Isocyanide and Phosphine Complexes of Nickel and Palladium","Organometallics","2011","30","2","305","312","10.1021/om101049d","","","0.71073","MoKα","","0.02","0.0183","","","0.0448","0.0461","","","","","","1.123","","","","has coordinates,has disorder","178529","2020-10-21","18:00:00",""
"4063407","9.1558","0.0005","20.1898","0.0012","17.0198","0.001","90","","98.344","0.001","90","","3112.9","0.3","294","2","294","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C65 H49 Ge3 Ir O11 Ru3 -","- C65 H49 Ge3 Ir O11 Ru3 -","- C130 H98 Ge6 Ir2 O22 Ru6 -","2","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Transformations of Triphenylgermyl Ligands in Iridium−Ruthenium Carbonyl Cluster Complexes","Organometallics","2011","30","2","328","333","10.1021/om100989s","","","0.71073","MoKα","","0.0674","0.0527","","","0.1072","0.1136","","","","","","1.075","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063408","8.5766","0.0011","9.4559","0.0012","22.096","0.003","88.52","0.002","89.436","0.002","67.579","0.002","1656","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 Ge Ir2 O11 Ru2 -","- C29 H18 Ge Ir2 O11 Ru2 -","- C58 H36 Ge2 Ir4 O22 Ru4 -","2","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Transformations of Triphenylgermyl Ligands in Iridium−Ruthenium Carbonyl Cluster Complexes","Organometallics","2011","30","2","328","333","10.1021/om100989s","","","0.71073","MoKα","","0.0711","0.0633","","","0.1797","0.1887","","","","","","1.065","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063409","9.8825","0.0004","17.5216","0.0007","17.8167","0.0007","90","","94.503","0.001","90","","3075.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H15 Ge2 Ir O10 Ru3 -","- C28 H15 Ge2 Ir O10 Ru3 -","- C112 H60 Ge8 Ir4 O40 Ru12 -","4","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Transformations of Triphenylgermyl Ligands in Iridium−Ruthenium Carbonyl Cluster Complexes","Organometallics","2011","30","2","328","333","10.1021/om100989s","","","0.71073","MoKα","","0.0459","0.0346","","","0.0772","0.0813","","","","","","1.063","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063410","9.4226","0.0003","11.6333","0.0003","19.3885","0.0006","87.376","0.001","87.887","0.001","69.714","0.001","1990.87","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H25 Ge3 Ir O9 Ru3 -","- C39 H25 Ge3 Ir O9 Ru3 -","- C78 H50 Ge6 Ir2 O18 Ru6 -","2","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Transformations of Triphenylgermyl Ligands in Iridium−Ruthenium Carbonyl Cluster Complexes","Organometallics","2011","30","2","328","333","10.1021/om100989s","","","0.71073","MoKα","","0.0298","0.0257","","","0.0602","0.0629","","","","","","1.044","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063411","11.4182","0.0003","14.0029","0.0004","18.3262","0.0005","103.039","0.001","107.564","0.001","96.185","0.001","2672.3","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H35 Cl4 Ge3 Ir O13 Ru3 -","- C47 H35 Cl4 Ge3 Ir O13 Ru3 -","- C94 H70 Cl8 Ge6 Ir2 O26 Ru6 -","2","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Transformations of Triphenylgermyl Ligands in Iridium−Ruthenium Carbonyl Cluster Complexes","Organometallics","2011","30","2","328","333","10.1021/om100989s","","","0.71073","MoKα","","0.056","0.0393","","","0.0897","0.1028","","","","","","1.08","","","","has coordinates,has disorder","178529","2020-10-21","18:00:00",""
"4063412","13.5089","0.001","35.94","0.003","19.3128","0.0015","90","","92.056","0.001","90","","9370.5","1.3","153","2","153","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C68 H92 Au4 F24 N16 P4 -","- C68 Au4 F24 N16 P4 -","- C272 Au16 F96 N64 P16 -","4","2","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","0.71073","MoKα","","0.1497","0.0791","","","0.2136","0.2539","","","","","","1.022","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063413","19.72","0.003","19.109","0.003","15.484","0.002","90","","109.025","0.002","90","","5516.1","1.4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cu3 F18 N12 P3 -","- C42 H48 Cu3 F18 N12 P3 -","- C168 H192 Cu12 F72 N48 P12 -","4","0.5","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","0.71073","MoKα","","0.0659","0.052","","","0.1424","0.1562","","","","","","1.022","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063414","11.1538","0.0004","13.561","0.0004","13.7856","0.0004","110.253","0.002","95.935","0.003","114.094","0.002","1711.36","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 F18 N7 P3 -","- C23 H30 F18 N7 P3 -","- C46 H60 F36 N14 P6 -","2","1","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","1.54178","CuKα","","0.0725","0.0595","","","0.1674","0.1768","","","","","","1.105","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063415","13.097","0.0006","13.8225","0.0006","14.2153","0.0007","93.647","0.003","103.371","0.004","93.993","0.003","2489.2","0.2","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H61 F24 N9 P4 -","- C36 H61 F24 N9 P4 -","- C72 H122 F48 N18 P8 -","2","1","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","1.54178","CuKα","","0.103","0.0877","","","0.2404","0.2589","","","","","","1.037","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063416","34.493","0.002","19.035","0.0013","21.5033","0.0015","90","","100.216","0.001","90","","13894.7","1.6","153","2","153","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H52.5 Ag3 F18 N12 O0.75 P3 -","- C44 H53 Ag3 F18 N12 O0.75 P3 -","- C352 H424 Ag24 F144 N96 O6 P24 -","8","2","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","0.71073","MoKα","","0.1003","0.0673","","","0.1812","0.2089","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063417","13.6501","0.0006","34.1296","0.0014","20.1054","0.0008","90","","99.195","0.001","90","","9246.2","0.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H98 Ag4 F24 N18 P4 -","- C72 H98 Ag4 F24 N18 P4 -","- C288 H392 Ag16 F96 N72 P16 -","4","1","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","0.71073","MoKα","","0.0952","0.0508","","","0.1093","0.1287","","","","","","1.004","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063418","15.02","0.002","21.071","0.003","22.15","0.003","90","","90.546","0.002","90","","7009.9","1.7","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H60.5 Au3 F18 N13.5 O P3 -","- C48.5 H48 Au3 F18 N13.5 O P3 -","- C194 H192 Au12 F72 N54 O4 P12 -","4","1","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","0.71073","MoKα","","0.0605","0.0392","","","0.1019","0.1135","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063419","12.595","0.0008","14.1932","0.0009","14.377","0.0009","73.448","0.001","87.01","0.001","66.551","0.001","2254.6","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Br4 N10 Pt2 -","- C38 H52 Br4 N10 Pt2 -","- C76 H104 Br8 N20 Pt4 -","2","1","","Rit, Arnab; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Supramolecular Structures from Polycarbene Ligands and Transition Metal Ions","Organometallics","2011","30","2","334","347","10.1021/om101102j","","","0.71073","MoKα","","0.0432","0.031","","","0.0752","0.0801","","","","","","1.029","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063420","11.2518","0.0005","11.4277","0.0005","16.4537","0.0008","77.6","0.002","78.274","0.002","72.811","0.002","1951.73","0.16","103","2","103","2","","","","","","","","9","P -1","-P 1","2","","","","- C37.5 H20.5 B Cl1.5 F15 N O6 P W -","- C37.5 H20.5 B Cl1.5 F15 N O6 P W -","- C75 H41 B2 Cl3 F30 N2 O12 P2 W2 -","2","1","","Panichakul, Duanghathai; Mathey, François","Serendipitous Discovery of a Phosphirene‒Phosphindole Rearrangement","Organometallics","2011","30","2","348","351","10.1021/om100990r","","","0.71073","MoKα","","0.0488","0.0357","","","0.0799","0.0935","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063421","16.1263","0.0003","9.4786","0.0002","20.0072","0.0003","90","","127.447","0.001","90","","2427.95","0.08","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N O5 P W -","- C25 H24 N O5 P W -","- C100 H96 N4 O20 P4 W4 -","4","1","","Panichakul, Duanghathai; Mathey, François","Serendipitous Discovery of a Phosphirene‒Phosphindole Rearrangement","Organometallics","2011","30","2","348","351","10.1021/om100990r","","","0.71073","MoKα","","0.044","0.0252","","","0.0503","0.0556","","","","","","1.006","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063422","10.806","0.0004","13.2637","0.0005","15.0392","0.0005","69.386","0.002","87.03","0.002","82.802","0.002","2001.55","0.13","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H28 B F15 N O6 P W -","- C37 H28 B F15 N O6 P W -","- C74 H56 B2 F30 N2 O12 P2 W2 -","2","1","","Panichakul, Duanghathai; Mathey, François","Serendipitous Discovery of a Phosphirene‒Phosphindole Rearrangement","Organometallics","2011","30","2","348","351","10.1021/om100990r","","","0.71073","MoKα","","0.0689","0.0459","","","0.1123","0.1311","","","","","","1.068","","","","has coordinates,has disorder","178529","2020-10-21","18:00:00",""
"4063545","9.382","0.009","9.629","0.01","18.61","0.012","90","","90","","90","","1681","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 P S Si -","- C16 H21 P S Si -","- C64 H84 P4 S4 Si4 -","4","1","","Gessner, Viktoria H.","Formation of a Palladium Thioketone Complex from a Thiophosphinoyl Stabilized Li/Cl Carbenoid","Organometallics","2011","30","16","4228","","10.1021/om200584h","","","0.71073","MoKα","","0.0387","0.0363","","","0.0897","0.0927","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063546","11.382","0.003","13.542","0.003","15.957","0.004","79.574","0.003","74.649","0.004","77.131","0.004","2292.7","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H49 P3 Pd S Si -","- C52 H49 P3 Pd S Si -","- C104 H98 P6 Pd2 S2 Si2 -","2","1","","Gessner, Viktoria H.","Formation of a Palladium Thioketone Complex from a Thiophosphinoyl Stabilized Li/Cl Carbenoid","Organometallics","2011","30","16","4228","","10.1021/om200584h","","","0.71073","MoKα","","0.0415","0.035","","","0.0915","0.0954","","","","","","1.028","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063547","14.647","0.002","16.757","0.002","19.581","0.003","90","","90.797","0.004","90","","4805.5","1.1","193.1","","193.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H58 N2 S4 Ta2 -","- C48 H58 N2 S4 Ta2 -","- C192 H232 N8 S16 Ta8 -","4","1","","Takada, Ryoichi; Hirotsu, Masakazu; Nishioka, Takanori; Hashimoto, Hideki; Kinoshita, Isamu","Sulfur-Bridged Ta‒M (M = Mo, Cr) Multinuclear Complexes Bearing a Four-Electron-Reduced Dinitrogen Ligand","Organometallics","2011","30","16","4232","","10.1021/om200596v","","","0.7107","MoKα","","0.0905","0.0605","","","0.0948","0.1027","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063548","12.085","0.002","12.083","0.002","13.18","0.002","109.884","0.0018","112.865","0.002","101.828","0.0017","1536.2","0.4","193.1","","193.1","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H64 Mo2 N2 O8 S4 Ta2 -","- C62 H64 Mo2 N2 O8 S4 Ta2 -","- C62 H64 Mo2 N2 O8 S4 Ta2 -","1","0.5","","Takada, Ryoichi; Hirotsu, Masakazu; Nishioka, Takanori; Hashimoto, Hideki; Kinoshita, Isamu","Sulfur-Bridged Ta‒M (M = Mo, Cr) Multinuclear Complexes Bearing a Four-Electron-Reduced Dinitrogen Ligand","Organometallics","2011","30","16","4232","","10.1021/om200596v","","","0.71075","MoKα","","0.0665","0.0472","","","0.084","0.0936","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063549","12.0474","0.001","12.0476","0.001","13.151","0.0011","112.933","0.001","110.058","0.0007","101.545","0.0013","1523.4","0.2","193.1","","193.1","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H64 Cr2 N2 O8 S4 Ta2 -","- C62 H64 Cr2 N2 O8 S4 Ta2 -","- C62 H64 Cr2 N2 O8 S4 Ta2 -","1","0.5","","Takada, Ryoichi; Hirotsu, Masakazu; Nishioka, Takanori; Hashimoto, Hideki; Kinoshita, Isamu","Sulfur-Bridged Ta‒M (M = Mo, Cr) Multinuclear Complexes Bearing a Four-Electron-Reduced Dinitrogen Ligand","Organometallics","2011","30","16","4232","","10.1021/om200596v","","","0.71075","MoKα","","0.0302","0.0267","","","0.0562","0.0581","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063550","15.1344","0.0009","21.6161","0.001","16.7735","0.0009","90","","109.608","0.0014","90","","5169.2","0.5","193.1","","193.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 Cr N2 O4 S4 Ta2 -","- C52 H58 Cr N2 O4 S4 Ta2 -","- C208 H232 Cr4 N8 O16 S16 Ta8 -","4","1","","Takada, Ryoichi; Hirotsu, Masakazu; Nishioka, Takanori; Hashimoto, Hideki; Kinoshita, Isamu","Sulfur-Bridged Ta‒M (M = Mo, Cr) Multinuclear Complexes Bearing a Four-Electron-Reduced Dinitrogen Ligand","Organometallics","2011","30","16","4232","","10.1021/om200596v","","","0.71075","MoKα","","0.0488","0.0411","","","0.0939","0.1011","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063551","15.9374","0.0003","16.0937","0.0003","17.2241","0.0002","101.12","0.0009","101.464","0.001","118.861","0.0006","3570.84","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","in paper 1b","","","- C69 H72 B3 F9 K3 O9 P3 -","- C69 H72 B3 F9 K3 O9 P3 -","- C138 H144 B6 F18 K6 O18 P6 -","2","1","","Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood","Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands","Organometallics","2011","30","16","4236","","10.1021/om2004095","","","0.71073","MoKα","","0.0631","0.0493","","","0.1328","0.1496","","","","","","0.957","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063552","37.044","0.008","9.59","0.003","20.034","0.005","90","","107.68","0.02","90","","6781","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","in paper 2a","","","- C63 H82 B2 F6 K2 O13 P2 -","- C63 H82 B2 F6 K2 O13 P2 -","- C252 H328 B8 F24 K8 O52 P8 -","4","0.5","","Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood","Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands","Organometallics","2011","30","16","4236","","10.1021/om2004095","","","0.71073","MoKα","","0.0558","0.043","","","0.0946","0.1041","","","","","","1.096","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063553","9.989","0.002","10.039","0.002","42.068","0.007","90","","94.829","0.005","90","","4203.6","1.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","in paper 3a","","","- C37 H53 B Cl F3 K O8 P Pd -","- C37 H53 B Cl F3 K O8 P Pd -","- C148 H212 B4 Cl4 F12 K4 O32 P4 Pd4 -","4","1","","Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood","Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands","Organometallics","2011","30","16","4236","","10.1021/om2004095","","","0.71073","MoKα","","0.0462","0.0436","","","0.0864","0.0876","","","","","","1.252","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063554","10.1832","0.0003","16.4051","0.0003","19.113","0.0005","90","","90.7899","0.0011","90","","3192.65","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","in paper 5a","","","- C18 H15 B F3 P -","- C18 H15 B F3 P -","- C144 H120 B8 F24 P8 -","8","2","","Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood","Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands","Organometallics","2011","30","16","4236","","10.1021/om2004095","","","0.71073","MoKα","","0.0638","0.0466","","","0.0961","0.1078","","","","","","1.118","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063555","8.6824","0.0007","17.6813","0.0014","16.3563","0.0013","90","","99.2059","0.0011","90","","2478.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","in paper 6a","","","- C25 H33 B F3 N2 P Pd -","- C25 H33 B F3 N2 P Pd -","- C100 H132 B4 F12 N8 P4 Pd4 -","4","1","","Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood","Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands","Organometallics","2011","30","16","4236","","10.1021/om2004095","","","0.71073","MoKα","","0.0482","0.0306","","","0.065","0.0712","","","","","","1.037","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063556","10.398","0.002","22.45","0.005","12.345","0.003","90","","105.12","0.03","90","","2782","1.1","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","in paper 6b","","","- C27 H37 B F3 N2 O2 P Pd -","- C27 H37 B F3 N2 O2 P Pd -","- C108 H148 B4 F12 N8 O8 P4 Pd4 -","4","1","","Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood","Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands","Organometallics","2011","30","16","4236","","10.1021/om2004095","","","0.71073","MoKα","","0.0763","0.055","","","0.1402","0.1687","","","","","","1.164","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063557","17.3625","0.0005","10.1672","0.0005","31.5144","0.0015","90","","103.526","0.0017","90","","5408.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","in paper 7a","","","- C29 H27 B F3 N2 P Pd -","- C29 H27 B F3 N2 P Pd -","- C232 H216 B8 F24 N16 P8 Pd8 -","8","1","","Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood","Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands","Organometallics","2011","30","16","4236","","10.1021/om2004095","","","0.71073","MoKα","","0.1284","0.1076","","","0.3034","0.3071","","","","","","2.239","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063558","13.7046","0.0003","8.4467","0.0001","18.5279","0.0005","90","","92.886","0.0009","90","","2142.04","0.08","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","in paper 9c","","","- C20 H30 B F3 N P Pd -","- C20 H30 B F3 N P Pd -","- C80 H120 B4 F12 N4 P4 Pd4 -","4","1","","Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood","Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands","Organometallics","2011","30","16","4236","","10.1021/om2004095","","","0.71073","MoKα","","0.0351","0.0302","","","0.064","0.0675","","","","","","1.082","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063559","36.57","0.006","9.577","0.0015","19.945","0.003","90","","107.141","0.003","90","","6675.1","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 B F3 K O6.5 P -","- C32 H42 B F3 K O6.5 P -","- C256 H336 B8 F24 K8 O52 P8 -","8","1","","Kim, Youngmin; Jordan, Richard F.","Synthesis, Structures, and Ethylene Dimerization Reactivity of Palladium Alkyl Complexes That Contain a Chelating Phosphine‒Trifluoroborate Ligand","Organometallics","2011","30","16","4250","","10.1021/om200472x","","","0.71073","MoKα","","0.0555","0.0411","","","0.094","0.1047","","","","","","0.967","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4063560","8.6347","0.0018","10.183","0.002","21.685","0.005","88.88","0.004","88.417","0.004","80.507","0.004","1879.7","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C35 H49 B Cl F3 K O7 P Pd -","- C35 H49 B Cl F3 K O7 P Pd -","- C70 H98 B2 Cl2 F6 K2 O14 P2 Pd2 -","2","1","","Kim, Youngmin; Jordan, Richard F.","Synthesis, Structures, and Ethylene Dimerization Reactivity of Palladium Alkyl Complexes That Contain a Chelating Phosphine‒Trifluoroborate Ligand","Organometallics","2011","30","16","4250","","10.1021/om200472x","","","0.71073","MoKα","","0.0484","0.0406","","","0.1074","0.1118","","","","","","0.974","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4063561","10.125","0.004","10.831","0.004","11.555","0.005","94.117","0.006","100.285","0.006","90.082","0.007","1243.5","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H28 B F3 N P Pd -","- C27 H28 B F3 N P Pd -","- C54 H56 B2 F6 N2 P2 Pd2 -","2","1","","Kim, Youngmin; Jordan, Richard F.","Synthesis, Structures, and Ethylene Dimerization Reactivity of Palladium Alkyl Complexes That Contain a Chelating Phosphine‒Trifluoroborate Ligand","Organometallics","2011","30","16","4250","","10.1021/om200472x","","","0.71073","MoKα","","0.0782","0.0628","","","0.1507","0.1559","","","","","","0.982","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063562","17.395","0.004","10.217","0.002","31.604","0.007","90","","103.764","0.003","90","","5456","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 B F3 N2 P Pd -","- C29 H27 B F3 N2 P Pd -","- C232 H216 B8 F24 N16 P8 Pd8 -","8","1","","Kim, Youngmin; Jordan, Richard F.","Synthesis, Structures, and Ethylene Dimerization Reactivity of Palladium Alkyl Complexes That Contain a Chelating Phosphine‒Trifluoroborate Ligand","Organometallics","2011","30","16","4250","","10.1021/om200472x","","","0.71073","MoKα","","0.0277","0.0241","","","0.0635","0.0713","","","","","","1.16","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063563","11.3189","0.0019","12.05","0.002","19","0.004","76.108","0.005","72.703","0.003","71.709","0.003","2318.3","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H41 Ir N4 -","- C54 H41 Ir N4 -","- C108 H82 Ir2 N8 -","2","1","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Aryl C‒Br and C‒I Bond Cleavage by Iridium(III) Porphyrin: Reduction of IrIII‒OH to IrIIfor Metalloradical Ipso Substitution of Aryl‒Halogen Bonds","Organometallics","2011","30","16","4269","","10.1021/om200251k","","","0.71073","MoKα","","0.0764","0.0553","","","0.1586","0.1729","","","","","","1.174","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063564","19.2067","0.001","19.2067","0.001","25.478","0.003","90","","90","","90","","9398.8","1.3","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C56 H47 Ir N4 O2 -","- C56 H47 Ir N4 O2 -","- C448 H376 Ir8 N32 O16 -","8","1","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Aryl C‒Br and C‒I Bond Cleavage by Iridium(III) Porphyrin: Reduction of IrIII‒OH to IrIIfor Metalloradical Ipso Substitution of Aryl‒Halogen Bonds","Organometallics","2011","30","16","4269","","10.1021/om200251k","","","0.71073","MoKα","","0.0409","0.0288","","","0.0603","0.0655","","","","","","1.044","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063565","11.4621","0.0014","17.214","0.002","25.013","0.003","90","","97.846","0.003","90","","4889.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H51 Ir N4 O2 -","- C57 H51 Ir N4 O2 -","- C228 H204 Ir4 N16 O8 -","4","1","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Aryl C‒Br and C‒I Bond Cleavage by Iridium(III) Porphyrin: Reduction of IrIII‒OH to IrIIfor Metalloradical Ipso Substitution of Aryl‒Halogen Bonds","Organometallics","2011","30","16","4269","","10.1021/om200251k","","","0.71073","MoKα","","0.0544","0.0307","","","0.0693","0.0815","","","","","","1.076","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063566","15.157","0.003","22.886","0.005","16.111","0.003","90","","107.682","0.003","90","","5324.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H59 Ir N4 O2 Si -","- C60 H59 Ir N4 O2 Si -","- C240 H236 Ir4 N16 O8 Si4 -","4","1","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Aryl C‒Br and C‒I Bond Cleavage by Iridium(III) Porphyrin: Reduction of IrIII‒OH to IrIIfor Metalloradical Ipso Substitution of Aryl‒Halogen Bonds","Organometallics","2011","30","16","4269","","10.1021/om200251k","","","0.71073","MoKα","","0.0594","0.0421","","","0.1102","0.117","","","","","","1.019","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063567","17.819","0.003","13.421","0.003","21.519","0.004","90","","97.439","0.004","90","","5102.9","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H49 Cl3 Ir N5 O4 -","- C57 H49 Cl3 Ir N5 O4 -","- C228 H196 Cl12 Ir4 N20 O16 -","4","1","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Aryl C‒Br and C‒I Bond Cleavage by Iridium(III) Porphyrin: Reduction of IrIII‒OH to IrIIfor Metalloradical Ipso Substitution of Aryl‒Halogen Bonds","Organometallics","2011","30","16","4269","","10.1021/om200251k","","","0.71073","MoKα","","0.0574","0.0379","","","0.0902","0.1016","","","","","","1.091","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063568","12.7244","0.0003","14.017","0.0004","16.7119","0.0004","67.3774","0.0009","88.071","0.001","64.514","0.001","2452.33","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H31 B F15 N O P2 -","- C54 H31 B F15 N O P2 -","- C108 H62 B2 F30 N2 O2 P4 -","2","1","","Kelsen, Vinciane; Vallée, Christophe; Jeanneau, Erwann; Bibal, Christine; Santini, Catherine C.; Chauvin, Yves; Olivier-Bourbigou, Hélène","Investigation of the Reactivity of Hydroxyborate Salts with Group IV Metal Complexes: Synthesis and Structural Characterization of the Zirconium and Hafnium Ionic Complexes [PPN]+[Cp2MMe(OB(C6F5)3)]−","Organometallics","2011","30","16","4284","","10.1021/om2002798","","","0.71069","MoKα","","0.0717","0.0471","","0.089","0.0526","0.0502","","","","","","1.0845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063569","12.4937","0.0003","13.2762","0.0003","18.9678","0.0004","106.321","0.001","100.322","0.001","105.674","0.001","2794.12","0.11","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H43 B F15 N O P2 Zr -","- C65 H43 B F15 N O P2 Zr -","- C130 H86 B2 F30 N2 O2 P4 Zr2 -","2","1","","Kelsen, Vinciane; Vallée, Christophe; Jeanneau, Erwann; Bibal, Christine; Santini, Catherine C.; Chauvin, Yves; Olivier-Bourbigou, Hélène","Investigation of the Reactivity of Hydroxyborate Salts with Group IV Metal Complexes: Synthesis and Structural Characterization of the Zirconium and Hafnium Ionic Complexes [PPN]+[Cp2MMe(OB(C6F5)3)]−","Organometallics","2011","30","16","4284","","10.1021/om2002798","","","0.71069","MoKα","","0.0637","0.0403","","0.0676","0.0415","0.0397","","","","","","1.1245","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063570","12.4775","0.0004","13.2598","0.0005","18.9597","0.0008","106.314","0.003","100.432","0.003","105.73","0.003","2783.2","0.2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H43 B F15 Hf N O P2 -","- C65 H43 B F15 Hf N O P2 -","- C130 H86 B2 F30 Hf2 N2 O2 P4 -","2","1","","Kelsen, Vinciane; Vallée, Christophe; Jeanneau, Erwann; Bibal, Christine; Santini, Catherine C.; Chauvin, Yves; Olivier-Bourbigou, Hélène","Investigation of the Reactivity of Hydroxyborate Salts with Group IV Metal Complexes: Synthesis and Structural Characterization of the Zirconium and Hafnium Ionic Complexes [PPN]+[Cp2MMe(OB(C6F5)3)]−","Organometallics","2011","30","16","4284","","10.1021/om2002798","","","0.71069","MoKα","","0.0616","0.0498","","0.1201","0.1039","0.1201","","","","","","0.9628","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063571","13.875","0.005","24.856","0.009","15.973","0.006","90","","94.945","0.008","90","","5488","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(tpe)Fe(THF)][Li(THF)4]","","","- C61 H82 Fe Li N3 O5 -","- C61 H82 Fe Li N3 O5 -","- C244 H328 Fe4 Li4 N12 O20 -","4","1","","Sazama, Graham T.; Betley, Theodore A.","Reductive Coupling of CO Templated by Iron Bound to the Tris(pyrrolide)ethane Scaffold","Organometallics","2011","30","16","4315","","10.1021/om2003859","","","0.71073","MoKα","","0.0838","0.063","","","0.1508","0.1612","","","","","","1.107","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063572","10.7409","0.0007","12.5697","0.0008","23.8076","0.0015","88.352","0.004","84.975","0.004","72.407","0.004","3052.1","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","[(tpe)Fe(NCtBu)3][Li(THF)]","","","- C69 H86 Fe Li N6 O -","- C69 H86 Fe Li N6 O -","- C138 H172 Fe2 Li2 N12 O2 -","2","1","","Sazama, Graham T.; Betley, Theodore A.","Reductive Coupling of CO Templated by Iron Bound to the Tris(pyrrolide)ethane Scaffold","Organometallics","2011","30","16","4315","","10.1021/om2003859","","","0.71073","MoKα","","0.088","0.0536","","","0.1113","0.1321","","","","","","1.016","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063573","25.163","0.004","10.6991","0.0016","34.829","0.005","90","","90.582","0.003","90","","9376","2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(dpme)Fe(COCOC4H2NMes)]2Li[Li(THF)2]","","","- C55 H56 Fe Li N3 O5 -","- C55 H56 Fe Li N3 O5 -","- C440 H448 Fe8 Li8 N24 O40 -","8","1","","Sazama, Graham T.; Betley, Theodore A.","Reductive Coupling of CO Templated by Iron Bound to the Tris(pyrrolide)ethane Scaffold","Organometallics","2011","30","16","4315","","10.1021/om2003859","","","0.71073","MoKα","","0.0922","0.0566","","","0.1159","0.1343","","","","","","1.035","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063574","11.8003","0.0013","8.5072","0.0009","12.3557","0.0013","90","","111.903","0.002","90","","1150.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 B4 Cl2 Y2 -","- C20 H24 B4 Cl2 Y2 -","- C40 H48 B8 Cl4 Y4 -","2","0.5","","Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand","Organometallics","2011","30","16","4330","","10.1021/om200396k","","","0.71073","MoKα","","0.0743","0.0584","","","0.1451","0.1713","","","","","","1.098","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063575","20.557","0.003","23.076","0.003","14.575","0.002","90","","90","","90","","6914","1.7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H22 B2 Cl O Y -","- C16 H22 B2 Cl O Y -","- C256 H352 B32 Cl16 O16 Y16 -","16","1","","Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand","Organometallics","2011","30","16","4330","","10.1021/om200396k","","","0.71073","MoKα","","0.0718","0.0529","","","0.1122","0.117","","","","","","1.009","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063576","8.906","0.002","9.858","0.002","11.773","0.003","88.879","0.005","71.535","0.004","76.056","0.004","949.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H52 B4 Cl2 N4 Y2 -","- C34 H52 B4 Cl2 N4 Y2 -","- C34 H52 B4 Cl2 N4 Y2 -","1","0.5","","Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand","Organometallics","2011","30","16","4330","","10.1021/om200396k","","","0.71073","MoKα","","0.0881","0.0734","","","0.2149","0.2213","","","","","","1.048","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063577","7.0695","0.0007","11.1207","0.0011","15.5863","0.0015","90","","90","","90","","1225.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 B2 Cl2 Zr -","- C10 H12 B2 Cl2 Zr -","- C40 H48 B8 Cl8 Zr4 -","4","1","","Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand","Organometallics","2011","30","16","4330","","10.1021/om200396k","","","0.71073","MoKα","","0.0339","0.0316","","","0.0752","0.0765","","","","","","0.903","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063578","10.7375","0.0008","18.2282","0.0014","19.4109","0.0015","85.753","0.001","75.266","0.001","88.749","0.001","3664.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H40 B P2 Rh -","- C44.5 H40 B P2 Rh -","- C178 H160 B4 P8 Rh4 -","4","2","","Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand","Organometallics","2011","30","16","4330","","10.1021/om200396k","","","0.71073","MoKα","","0.0667","0.0482","","","0.1237","0.1345","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063579","8.2543","0.0007","13.3554","0.0012","11.0899","0.001","90","","106.965","0.001","90","","1169.34","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B Rh -","- C13 H18 B Rh -","- C52 H72 B4 Rh4 -","4","1","","Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand","Organometallics","2011","30","16","4330","","10.1021/om200396k","","","0.71073","MoKα","","0.047","0.0405","","","0.1055","0.1099","","","","","","1.159","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063580","6.1133","0.0004","11.7522","0.0007","20.8528","0.0012","90","","90","","90","","1498.16","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Mn N O4 -","- C15 H16 Mn N O4 -","- C60 H64 Mn4 N4 O16 -","4","1","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0296","0.0258","","","0.06","0.0614","","","","","","1.039","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063581","6.1957","0.0001","11.4843","0.0002","19.6168","0.0003","90","","90","","90","","1395.8","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Mn N O4 -","- C14 H14 Mn N O4 -","- C56 H56 Mn4 N4 O16 -","4","1","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0179","0.0175","","","0.047","0.0472","","","","","","1.002","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063582","8.9609","0.0005","12.5317","0.0007","14.0266","0.0008","67.927","0.001","78.038","0.001","82.775","0.001","1425.98","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Mn N O3 -","- C16 H14 Mn N O3 -","- C64 H56 Mn4 N4 O12 -","4","2","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0453","0.0344","","","0.0831","0.0881","","","","","","1.036","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063583","14.6369","0.0011","6.5003","0.0005","30.972","0.002","90","","90","","90","","2946.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Mn N O3 -","- C17 H16 Mn N O3 -","- C136 H128 Mn8 N8 O24 -","8","2","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0447","0.0357","","","0.082","0.0866","","","","","","1.009","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063584","17.3198","0.0008","7.7457","0.0004","11.9745","0.0006","90","","100.233","0.001","90","","1580.87","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Mn N O4 -","- C16 H20 Mn N O4 -","- C64 H80 Mn4 N4 O16 -","4","1","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0308","0.0259","","","0.0661","0.069","","","","","","1.013","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063585","13.2155","0.001","7.4788","0.0005","13.0612","0.0015","90","","110.992","0.001","90","","1205.24","0.18","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H14 Mn N O3 -","- C13 H14 Mn N O3 -","- C52 H56 Mn4 N4 O12 -","4","1","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0385","0.0341","","","0.0815","0.0842","","","","","","0.93","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063586","14.3122","0.0009","19.156","0.0019","19.189","0.003","90","","128.812","0.009","90","","4099.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","21-formyl-21-carbaporphyrin","","","- C57 H39 N3 O Pd -","- C57 H39 N3 O Pd -","- C228 H156 N12 O4 Pd4 -","4","1","","Szyszko, Bartosz; Latos-Grażyński, Lechosław","Conformational Flexibility of 1,4-Naphthiporphyrin Promotes a Palladium-Mediated Contraction of Naphthalene to Isoindene","Organometallics","2011","30","16","4354","","10.1021/om2004139","","","0.71073","MoKα","","0.0397","0.031","","","0.0818","0.0844","","","","","","1.077","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063587","11.621","0.0004","12.322","0.0004","16.998","0.0004","90.04","0.002","106.48","0.003","110.49","0.003","2172.76","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H46 Cl N3 Pd -","- C56 H46 Cl N3 Pd -","- C112 H92 Cl2 N6 Pd2 -","2","1","","Szyszko, Bartosz; Latos-Grażyński, Lechosław","Conformational Flexibility of 1,4-Naphthiporphyrin Promotes a Palladium-Mediated Contraction of Naphthalene to Isoindene","Organometallics","2011","30","16","4354","","10.1021/om2004139","","","0.71073","MoKα","","0.066","0.0388","","","0.0843","0.0907","","","","","","0.932","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063588","10.4624","0.0005","11.8931","0.0006","14.8821","0.0006","84.502","0.004","76.137","0.004","83.263","0.004","1781.02","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,4-naphthiporphyrin","","- C50 H33 N3 -","- C50 H33 N3 -","- C100 H66 N6 -","2","1","","Szyszko, Bartosz; Latos-Grażyński, Lechosław","Conformational Flexibility of 1,4-Naphthiporphyrin Promotes a Palladium-Mediated Contraction of Naphthalene to Isoindene","Organometallics","2011","30","16","4354","","10.1021/om2004139","","","0.71073","MoKα","","0.2216","0.0602","","","0.0912","0.1199","","","","","","0.757","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063589","15","0.0003","12.735","0.0003","20.756","0.0006","90","","91.068","0.001","90","","3964.23","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","24-thia-1,4-naphthiporphyrin","","","- C53 H38 Cl2 N2 S -","- C53 H38 Cl2 N2 S -","- C212 H152 Cl8 N8 S4 -","4","1","","Szyszko, Bartosz; Latos-Grażyński, Lechosław","Conformational Flexibility of 1,4-Naphthiporphyrin Promotes a Palladium-Mediated Contraction of Naphthalene to Isoindene","Organometallics","2011","30","16","4354","","10.1021/om2004139","","","0.71073","MoKα","","0.063","0.0415","","","0.1077","0.1138","","","","","","0.983","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063590","8.139","0.003","8.843","0.003","12.721","0.004","71.9","0.02","86.88","0.02","65.43","0.02","788.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H28 Li N3 -","- C14 H28 Li N3 -","- C28 H56 Li2 N6 -","2","1","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Revealing Coordination Patterns in C5-Cyclic Lithium Organics","Organometallics","2011","30","16","4379","","10.1021/om200471e","","","0.71073","MoKα","","0.0496","0.038","","","0.0934","0.1001","","","","","","1.032","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063591","5.831","0.002","13.989","0.002","29.834","0.002","90","","90","","90","","2433.6","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 Li N2 -","- C11 H21 Li N2 -","- C88 H168 Li8 N16 -","8","2","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Revealing Coordination Patterns in C5-Cyclic Lithium Organics","Organometallics","2011","30","16","4379","","10.1021/om200471e","","","0.71073","MoKα","","0.0304","0.0281","","","0.0771","0.0785","","","","","","1.054","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063592","9.692","0.002","13.926","0.002","7.449","0.002","90","","90","","90","","1005.4","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H15 Li O2 -","- C9 H15 Li O2 -","- C36 H60 Li4 O8 -","4","1","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Revealing Coordination Patterns in C5-Cyclic Lithium Organics","Organometallics","2011","30","16","4379","","10.1021/om200471e","","","0.71073","MoKα","","0.0374","0.0318","","","0.0742","0.0765","","","","","","1.077","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063593","8.619","0.002","9.165","0.002","16.009","0.003","89.43","0.02","79.81","0.02","81.58","0.02","1231.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H38 Li2 O6 -","- C22 H38 Li2 O6 -","- C44 H76 Li4 O12 -","2","1","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Revealing Coordination Patterns in C5-Cyclic Lithium Organics","Organometallics","2011","30","16","4379","","10.1021/om200471e","","","0.71073","MoKα","","0.0403","0.0353","","","0.0924","0.0963","","","","","","1.053","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063594","15.837","0.002","13.004","0.002","17.389","0.002","90","","90.06","0.02","90","","3581.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Li N3 -","- C18 H30 Li N3 -","- C144 H240 Li8 N24 -","8","2","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Revealing Coordination Patterns in C5-Cyclic Lithium Organics","Organometallics","2011","30","16","4379","","10.1021/om200471e","","","0.71073","MoKα","","0.033","0.0307","","","0.0815","0.0834","","","","","","1.029","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063595","8.881","0.002","13.654","0.002","12.272","0.002","90","","90.04","0.02","90","","1488.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Li2 O6 -","- C30 H44 Li2 O6 -","- C60 H88 Li4 O12 -","2","0.5","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Revealing Coordination Patterns in C5-Cyclic Lithium Organics","Organometallics","2011","30","16","4379","","10.1021/om200471e","","","0.71073","MoKα","","0.0424","0.0372","","","0.0955","0.0993","","","","","","1.036","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063596","36.584","0.004","7.991","0.002","15.871","0.002","90","","107.67","0.02","90","","4420.9","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H35 Li O6 -","- C21 H35 Li O6 -","- C168 H280 Li8 O48 -","8","1","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Revealing Coordination Patterns in C5-Cyclic Lithium Organics","Organometallics","2011","30","16","4379","","10.1021/om200471e","","","0.71073","MoKα","","0.0492","0.0483","","","0.0976","0.0979","","","","","","1.223","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063597","13.9711","0.0017","13.1476","0.0016","15.6273","0.0019","90","","105.141","0.002","90","","2770.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 N2 Os P2 -","- C24 H50 N2 Os P2 -","- C96 H200 N8 Os4 P8 -","4","1","","Baya, Miguel; Esteruelas, Miguel A.; Oñate, Enrique","Analysis of the Aromaticity of Osmabicycles Analogous to the Benzimidazolium Cation","Organometallics","2011","30","16","4404","","10.1021/om200491t","","","0.71073","MoKα","","0.0561","0.0359","","","0.0593","0.0646","","","","","","1.028","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063598","14.1321","0.0009","11.2247","0.0007","45.588","0.003","90","","98.741","0.001","90","","7147.6","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H57 F6 N3 O0.5 Os P3 -","- C28 H57 F6 N3 O0.5 Os P3 -","- C224 H456 F48 N24 O4 Os8 P24 -","8","2","","Baya, Miguel; Esteruelas, Miguel A.; Oñate, Enrique","Analysis of the Aromaticity of Osmabicycles Analogous to the Benzimidazolium Cation","Organometallics","2011","30","16","4404","","10.1021/om200491t","","","0.71073","MoKα","","0.0821","0.0514","","","0.1025","0.1213","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063599","12.0864","0.0002","13.2175","0.0002","33.0962","0.0005","90","","90","","90","","5287.18","0.14","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H54 Br4 Fe2 N4 O0.5 P2 -","- C50.5 H54 Br4 Fe2 N4 O0.5 P2 -","- C202 H216 Br16 Fe8 N16 O2 P8 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2011","30","16","4418","","10.1021/om2005172","","","0.71073","MoKα","","0.1119","0.0582","","","0.1344","0.1554","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063600","21.887","0.004","22.196","0.004","22.358","0.005","101.6","0.03","104.57","0.03","118.8","0.03","8521","6","150","1","150","1","","","","","","","","6","P 1","P 1","1","","","","- C100 H95 B2 Fe N5 P2 -","- C100 H95 B2 Fe N5 P2 -","- C400 H380 B8 Fe4 N20 P8 -","4","4","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2011","30","16","4418","","10.1021/om2005172","","","0.71073","MoKα","","0.1473","0.0725","","","0.1589","0.1872","","","","","","0.966","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063601","6.3111","0.0004","11.5719","0.0011","13.4959","0.0015","93.032","0.004","90.081","0.006","103.146","0.006","958.36","0.15","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 O3.5 P -","- C20 H28 O3.5 P -","- C40 H56 O7 P2 -","2","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2011","30","16","4418","","10.1021/om2005172","","","0.71073","MoKα","","0.1412","0.0666","","","0.1501","0.1879","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063602","8.499","0.0006","9.7576","0.0006","12.2672","0.0006","68.306","0.004","72.384","0.004","74.079","0.003","885.65","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 B2 F8 O4 P2 -","- C34 H44 B2 F8 O4 P2 -","- C34 H44 B2 F8 O4 P2 -","1","0.5","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2011","30","16","4418","","10.1021/om2005172","","","0.71073","MoKα","","0.1216","0.0618","","","0.1495","0.1777","","","","","","1.057","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063603","8.6682","0.0004","11.0451","0.0007","11.703","0.0008","97.466","0.003","111.386","0.003","96.296","0.003","1019.39","0.11","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 B2 F8 O2 P2 -","- C36 H44 B2 F8 O2 P2 -","- C36 H44 B2 F8 O2 P2 -","1","0.5","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2011","30","16","4418","","10.1021/om2005172","","","0.71073","MoKα","","0.1158","0.0695","","","0.1905","0.2119","","","","","","1.111","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063604","10.1341","0.0002","13.8219","0.0003","16.4191","0.0003","102.299","0.0011","101.147","0.0012","96.45","0.0011","2176.23","0.08","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C38 H32 B2 F20 Fe N5 P -","- C38 H32 B2 F20 Fe N5 P -","- C76 H64 B4 F40 Fe2 N10 P2 -","2","2","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2011","30","16","4418","","10.1021/om2005172","","","0.71073","MoKα","","0.116","0.0677","","","0.1585","0.1884","","","","","","1.038","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063605","13.435","0.003","12.956","0.003","15.527","0.004","90","","111.52","0.006","90","","2514.3","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Cl N P Pd -","- C25 H37 Cl N P Pd -","- C100 H148 Cl4 N4 P4 Pd4 -","4","1","","Chartoire, Anthony; Lesieur, Mathieu; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cazin, Catherine S. J.","Highly Active Well-Defined Palladium Precatalysts for the Efficient Amination of Aryl Chlorides","Organometallics","2011","30","16","4432","","10.1021/om2005222","","","0.71073","MoKα","","0.0692","0.0492","","","0.1237","0.1712","","","","","","1.123","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063606","10.5047","0.0017","10.529","0.003","13.735","0.002","81.49","0.03","71.01","0.02","76.14","0.02","1390.6","0.5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H40 F3 N2 O2 P Pd -","- C27 H40 F3 N2 O2 P Pd -","- C54 H80 F6 N4 O4 P2 Pd2 -","2","1","","Chartoire, Anthony; Lesieur, Mathieu; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cazin, Catherine S. J.","Highly Active Well-Defined Palladium Precatalysts for the Efficient Amination of Aryl Chlorides","Organometallics","2011","30","16","4432","","10.1021/om2005222","","","0.71073","MoKα","","0.0609","0.0538","","","0.1503","0.1673","","","","","","1.101","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063610","9.0445","0.0006","12.7406","0.0009","17.8947","0.0012","90","","90","","90","","2062","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 I2 Ir N2 -","- C14 H19 I2 Ir N2 -","- C56 H76 I8 Ir4 N8 -","4","1","","da Costa, André P.; Lopes, Rita; Cardoso, João M. S.; Mata, Jose A.; Peris, Eduardo; Royo, Beatriz","Enantiomerically Pure Cyclopentadienyl- and Indenyl-Functionalized N-Heterocyclic Carbene Complexes of Iridium and Rhodium","Organometallics","2011","30","16","4437","","10.1021/om200523h","","x-ray","0.71073","MoKα","","0.0328","0.0301","","","0.0912","0.0928","","","","","","1.113","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063611","10.4288","0.0008","18.4944","0.0014","16.8395","0.0013","90","","106.385","0.001","90","","3116","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 B N2 -","- C40 H37 B N2 -","- C160 H148 B4 N8 -","4","1","","Rao, Ying-Li; Wang, Suning","Impact of Cyclometalation and π-Conjugation on Photoisomerization of an N,C-Chelate Organoboron Compound","Organometallics","2011","30","16","4453","","10.1021/om200534m","","","0.71073","MoKα","","0.0634","0.0438","","","0.1039","0.1149","","","","","","1.038","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063612","11.9489","0.0013","15.3998","0.0016","15.9096","0.0017","92.478","0.001","101.801","0.001","112.147","0.001","2630.7","0.5","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H59 B Cl4 N2 O2 Pt -","- C53 H59 B Cl4 N2 O2 Pt -","- C106 H118 B2 Cl8 N4 O4 Pt2 -","2","1","","Rao, Ying-Li; Wang, Suning","Impact of Cyclometalation and π-Conjugation on Photoisomerization of an N,C-Chelate Organoboron Compound","Organometallics","2011","30","16","4453","","10.1021/om200534m","","","0.71073","MoKα","","0.0382","0.0305","","","0.0679","0.0703","","","","","","1.036","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063618","12.0925","0.0002","12.6491","0.0002","20.034","0.0003","99.908","0.0007","91.9846","0.0007","94.8605","0.0007","3004.04","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H57 B Cl2 F24 N P2 Rh -","- C56 H57 B Cl2 F24 N P2 Rh -","- C112 H114 B2 Cl4 F48 N2 P4 Rh2 -","2","1","","Chaplin, Adrian B.; Weller, Andrew S.","[Rh{NC5H3-2,6-(CH2PtBu2)2}(PCy3)][BArF4]: A Latent Low-Coordinate Rhodium(I) PNP Pincer Compound","Organometallics","2011","30","16","4466","","10.1021/om2004964","","","0.71073","MoKα","","0.0728","0.0557","","","0.1409","0.1528","","","","","","1.045","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063619","9.4685","0.0019","11.077","0.002","16.269","0.003","90","","93.67","0.03","90","","1702.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Cl2 Cr2 O2 -","- C34 H44 Cl2 Cr2 O2 -","- C68 H88 Cl4 Cr4 O4 -","2","0.5","","Sun, Mingtai; Mu, Ying; Liu, Yang; Wu, Qiaolin; Ye, Ling","Synthesis of the Binuclear Half-Metallocene Chromium(III) Aryloxides [Cp′Cr(OAr)Cl]2and Their Catalytic Properties for Ethylene Polymerization in the Presence of Alkylaluminum Cocatalyst","Organometallics","2011","30","4","669","","10.1021/om100112x","","","0.71073","MoKα","","0.0885","0.0517","","","0.116","0.1332","","","","","","1.031","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063620","9.7218","0.0005","16.8214","0.0009","12.5976","0.0007","90","","91.86","0.001","90","","2059.05","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 Cl2 Cr2 O2 -","- C44 H64 Cl2 Cr2 O2 -","- C88 H128 Cl4 Cr4 O4 -","2","0.5","","Sun, Mingtai; Mu, Ying; Liu, Yang; Wu, Qiaolin; Ye, Ling","Synthesis of the Binuclear Half-Metallocene Chromium(III) Aryloxides [Cp′Cr(OAr)Cl]2and Their Catalytic Properties for Ethylene Polymerization in the Presence of Alkylaluminum Cocatalyst","Organometallics","2011","30","4","669","","10.1021/om100112x","","","0.71073","MoKα","","0.0367","0.0313","","","0.0833","0.087","","","","","","1.049","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063621","15.05386","0.00013","10.7824","0.00011","18.98963","0.00016","90","","94.3659","0.0008","90","","3073.39","0.05","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl3 Fe P2 -","- C33 H33 Cl3 Fe P2 -","- C132 H132 Cl12 Fe4 P8 -","4","2","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0501","0.0435","","","0.1033","0.1098","","","","","","1.072","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063622","8.5056","0.0002","15.0338","0.0004","10.9136","0.0002","90","","93.126","0.002","90","","1393.46","0.06","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C32 H31 Fe I P2 -","- C32 H31 Fe I P2 -","- C64 H62 Fe2 I2 P4 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0446","0.0374","","","0.0951","0.1025","","","","","","1.061","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063623","11.42524","0.00017","11.1501","0.0002","12.5399","0.0002","90","","96.0172","0.0016","90","","1588.69","0.05","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl2 Fe I P2 -","- C33 H33 Cl2 Fe I P2 -","- C66 H66 Cl4 Fe2 I2 P4 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0964","0.0824","","","0.1947","0.2016","","","","","","1.017","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063624","13.09737","0.00013","11.6272","0.00012","17.82324","0.00016","90","","99.2596","0.0009","90","","2678.86","0.05","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C33 H31 Fe N P2 -","- C33 H31 Fe N P2 -","- C132 H124 Fe4 N4 P8 -","4","2","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0672","0.0544","","","0.134","0.1449","","","","","","1.057","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063625","14.9125","0.0002","11.0492","0.0002","18.8918","0.0003","90","","93.825","0.001","90","","3105.89","0.09","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C34 H33 Cl2 Fe N P2 -","- C34 H33 Cl2 Fe N P2 -","- C136 H132 Cl8 Fe4 N4 P8 -","4","2","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0882","0.0472","","","0.0642","0.0689","","","","","","0.972","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063626","10.58374","0.00015","16.23445","0.00017","24.3432","0.0002","90","","90","","90","","4182.68","0.08","123","","123","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H47 F6 Fe O P3 -","- C47 H47 F6 Fe O P3 -","- C188 H188 F24 Fe4 O4 P12 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0408","0.0324","","","0.0734","0.076","","","","","","0.962","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063627","11.4521","0.00019","22.1285","0.0003","13.6647","0.00018","90","","90.8993","0.0014","90","","3462.45","0.09","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C76 H74 Fe2 I2 O4 P4 -","- C76 H72 Fe2 I2 O3 P4 -","- C152 H144 Fe4 I4 O6 P8 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.5418","CuKα","","0.0451","0.0416","","","0.0979","0.0994","","","","","","1.051","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063629","19.096","0.004","14.71","0.003","17.871","0.004","90","","104.35","0.03","90","","4863.4","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H27 Cl3 Cr N -","- C24.5 H27 Cl3 Cr N -","- C196 H216 Cl24 Cr8 N8 -","8","1","","Zhang, Lei; Gao, Wei; Tao, Xin; Wu, Qiaolin; Mu, Ying; Ye, Ling","New Chromium(III) Complexes with Imine−Cyclopentadienyl Ligands: Synthesis, Characterization, and Catalytic Properties for Ethylene Polymerization","Organometallics","2011","30","3","433","","10.1021/om1005935","","","0.71073","MoKα","","0.1705","0.0941","","","0.2353","0.2798","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063630","11.298","0.002","14.455","0.003","15.13","0.003","90","","90","","90","","2470.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 Cr N -","- C26 H30 Cl2 Cr N -","- C104 H120 Cl8 Cr4 N4 -","4","1","","Zhang, Lei; Gao, Wei; Tao, Xin; Wu, Qiaolin; Mu, Ying; Ye, Ling","New Chromium(III) Complexes with Imine−Cyclopentadienyl Ligands: Synthesis, Characterization, and Catalytic Properties for Ethylene Polymerization","Organometallics","2011","30","3","433","","10.1021/om1005935","","","0.71073","MoKα","","0.0546","0.0419","","","0.0959","0.1013","","","","","","1.061","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063631","10.883","0.002","14.407","0.003","16.756","0.003","90","","91.51","0.03","90","","2626.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Cl2 Cr N -","- C28 H34 Cl2 Cr N -","- C112 H136 Cl8 Cr4 N4 -","4","1","","Zhang, Lei; Gao, Wei; Tao, Xin; Wu, Qiaolin; Mu, Ying; Ye, Ling","New Chromium(III) Complexes with Imine−Cyclopentadienyl Ligands: Synthesis, Characterization, and Catalytic Properties for Ethylene Polymerization","Organometallics","2011","30","3","433","","10.1021/om1005935","","","0.71073","MoKα","","0.0577","0.0408","","","0.1","0.1074","","","","","","1.038","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063632","7.3541","0.0008","11.617","0.0012","13.1344","0.001","90","","123.314","0.004","90","","937.71","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Ni P2 -","- C14 H36 Ni P2 -","- C28 H72 Ni2 P4 -","2","0.5","","Johnson, Samuel A.; Mroz, Natalia M.; Valdizon, René; Murray, Scott","Characterization of Intermediates in the C−F Activation of Tetrafluorobenzenes using a Reactive Ni(PEt3)2Synthon: Combined Computational and Experimental Investigation","Organometallics","2011","30","3","441","","10.1021/om100699d","","","0.71073","MoKα","","0.0244","0.0225","","","0.0544","0.0559","","","","","","1.08","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063633","14.8226","0.0016","13.4117","0.0014","23.6234","0.0018","90","","126.885","0.004","90","","3756.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 F4 Ni2 P4 -","- C30 H62 F4 Ni2 P4 -","- C120 H248 F16 Ni8 P16 -","4","1","","Johnson, Samuel A.; Mroz, Natalia M.; Valdizon, René; Murray, Scott","Characterization of Intermediates in the C−F Activation of Tetrafluorobenzenes using a Reactive Ni(PEt3)2Synthon: Combined Computational and Experimental Investigation","Organometallics","2011","30","3","441","","10.1021/om100699d","","","0.71073","MoKα","","0.0366","0.031","","","0.083","0.0873","","","","","","1.046","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063634","19.2829","0.0019","9.9632","0.001","41.32","0.004","90","","105.036","0.004","90","","7666.6","1.3","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H62 F4 Ni2 P4 -","- C30 H62 F4 Ni2 P4 -","- C240 H496 F32 Ni16 P32 -","8","2","","Johnson, Samuel A.; Mroz, Natalia M.; Valdizon, René; Murray, Scott","Characterization of Intermediates in the C−F Activation of Tetrafluorobenzenes using a Reactive Ni(PEt3)2Synthon: Combined Computational and Experimental Investigation","Organometallics","2011","30","3","441","","10.1021/om100699d","","","0.71073","MoKα","","0.0474","0.0386","","","0.0841","0.0881","","","","","","1.084","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063635","10.515","0.0014","19.138","0.003","20.958","0.003","116.821","0.002","90.686","0.002","101.406","0.002","3664.7","0.9","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H61 F3 Ni2 P4 -","- C30 H61 F3 Ni2 P4 -","- C120 H244 F12 Ni8 P16 -","4","2","","Johnson, Samuel A.; Mroz, Natalia M.; Valdizon, René; Murray, Scott","Characterization of Intermediates in the C−F Activation of Tetrafluorobenzenes using a Reactive Ni(PEt3)2Synthon: Combined Computational and Experimental Investigation","Organometallics","2011","30","3","441","","10.1021/om100699d","","","0.71073","MoKα","","0.067","0.0402","","","0.0868","0.094","","","","","","0.865","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063636","9.4079","0.0006","32.67","0.002","14.1874","0.0009","90","","108.805","0.0007","90","","4127.8","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23.75 H32 O U -","- C23.75 H30 O U -","- C190 H240 O8 U8 -","8","2","","Takase, Michael K.; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.","Synthesis and Insertion Chemistry of a Cyclooctatetraenyl Uranium “Tuck-in” Metallocene, (η8-C8H8)(η5:η1-C5Me4CH2)U","Organometallics","2011","30","3","458","","10.1021/om100700p","","","0.71073","MoKα","","0.0397","0.0351","","","0.077","0.0787","","","","","","1.134","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063637","11.3936","0.0007","8.9064","0.0006","25.1407","0.0016","90","","92.486","0.001","90","","2548.8","0.3","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N2 U -","- C28 H40 N2 U -","- C112 H160 N8 U4 -","4","1","","Takase, Michael K.; Siladke, Nathan A.; Ziller, Joseph W.; Evans, William J.","Synthesis and Insertion Chemistry of a Cyclooctatetraenyl Uranium “Tuck-in” Metallocene, (η8-C8H8)(η5:η1-C5Me4CH2)U","Organometallics","2011","30","3","458","","10.1021/om100700p","","","0.71073","MoKα","","0.0287","0.0234","","","0.0537","0.0553","","","","","","1.039","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063638","17.7961","0.0004","18.4707","0.0003","22.4317","0.0004","90","","126.654","0.001","90","","5915.4","0.2","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","'C29 H41 N2 Pb, C24 B F20, C H2 Cl2, C5 H12' ?","","- C58.64 H54.28 B Cl1.28 F20 N2 Pb -","- C53.639 H42.278 B Cl1.278 F20 N2 Pb -","- C214.556 H169.112 B4 Cl5.112 F80 N8 Pb4 -","4","1","","Taylor, Morgan J.; Saunders, Amy J.; Coles, Martyn P.; Fulton, J. Robin","Low-Coordinate Tin and Lead Cations","Organometallics","2011","30","6","1334","","10.1021/om100712a","","x-ray","0.7107","MoKα","","0.0808","0.0555","","","0.1219","0.1318","","","","","","1.017","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063639","14.4223","0.0001","18.4966","0.0002","19.356","0.0002","90","","90","","90","","5163.47","0.09","173","2","173","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H54 B F15 N2 O Sn -","- C52 H54 B F15 N2 O Sn -","- C208 H216 B4 F60 N8 O4 Sn4 -","4","1","","Taylor, Morgan J.; Saunders, Amy J.; Coles, Martyn P.; Fulton, J. Robin","Low-Coordinate Tin and Lead Cations","Organometallics","2011","30","6","1334","","10.1021/om100712a","","x-ray","0.7107","MoKα","","0.0344","0.0291","","","0.0619","0.0641","","","","","","1.009","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063640","10.402","0.003","16.964","0.005","13.984","0.004","90","","93.995","0.004","90","","2461.6","1.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Ir N3 O -","- C30 H24 Ir N3 O -","- C120 H96 Ir4 N12 O4 -","4","1","","Yang, Wei; Fu, Hao; Song, Qijun; Zhang, Min; Ding, Yuqiang","Amidate Iridium(III) Bis(2-pyridyl)phenyl Complexes: Application Examples of Amidate Ancillary Ligands in Iridium(III)-Cyclometalated Complexes","Organometallics","2011","30","1","77","","10.1021/om100714g","","","0.71073","MoKα","","0.1036","0.0679","","","0.1598","0.1689","","","","","","0.852","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063641","13.887","0.002","16.132","0.003","14.422","0.002","90","","108.053","0.003","90","","3071.8","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl2 Ir N3 O -","- C36 H28 Cl2 Ir N3 O -","- C144 H112 Cl8 Ir4 N12 O4 -","4","1","","Yang, Wei; Fu, Hao; Song, Qijun; Zhang, Min; Ding, Yuqiang","Amidate Iridium(III) Bis(2-pyridyl)phenyl Complexes: Application Examples of Amidate Ancillary Ligands in Iridium(III)-Cyclometalated Complexes","Organometallics","2011","30","1","77","","10.1021/om100714g","","","0.71073","MoKα","","0.0575","0.0324","","","0.0591","0.0627","","","","","","0.877","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4063642","15.9534","0.0006","19.7986","0.0008","9.6037","0.0004","90","","91.588","0.001","90","","3032.2","0.2","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 N2 Ni O -","- C35 H38 N2 Ni O -","- C140 H152 N8 Ni4 O4 -","4","1","","Song, Dong-Po; Wang, Yong-Xia; Mu, Hong-Liang; Li, Bai-Xiang; Li, Yue-Sheng","Observations and Mechanistic Insights on Unusual Stability of Neutral Nickel Complexes with a Sterically Crowded Metal Center","Organometallics","2011","30","5","925","","10.1021/om100725h","","","0.71073","MoKα","","0.0479","0.0381","","","0.102","0.1085","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4063643","9.2294","0.0008","14.2491","0.0012","25.643","0.002","90","","93.497","0.002","90","","3366","0.5","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 N2 Ni O -","- C39 H49 N2 Ni O -","- C156 H196 N8 Ni4 O4 -","4","1","","Song, Dong-Po; Wang, Yong-Xia; Mu, Hong-Liang; Li, Bai-Xiang; Li, Yue-Sheng","Observations and Mechanistic Insights on Unusual Stability of Neutral Nickel Complexes with a Sterically Crowded Metal Center","Organometallics","2011","30","5","925","","10.1021/om100725h","","","0.71073","MoKα","","0.1073","0.0563","","","0.1356","0.1616","","","","","","1.002","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063644","9.872","0.0003","16.338","0.0004","11.957","0.0006","90","","109.77","0.003","90","","1814.86","0.12","233","2","233","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H42 Co O4 P S Si -","- C40 H42 Co O4 P S Si -","- C80 H84 Co2 O8 P2 S2 Si2 -","2","1","","O’Connor, Joseph M.; Chen, Ming-Chou; Holland, Ryan L.; Rheingold, Arnold L.","Addition of Dissimilar Carbenes across an Unsymmetrically Substituted Alkyne: Regio- and Stereoselective Synthesis of Trisubstituted 1,3-Dienes","Organometallics","2011","30","3","369","","10.1021/om1007314","","","0.71073","MoKα","","0.0686","0.0473","","","0.1102","0.1384","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4063645","11.305","0.002","14.764","0.003","22.592","0.003","90","","97.172","0.013","90","","3741.3","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Co O6 S -","- C34 H40 Co O6 S -","- C136 H160 Co4 O24 S4 -","4","1","","O’Connor, Joseph M.; Chen, Ming-Chou; Holland, Ryan L.; Rheingold, Arnold L.","Addition of Dissimilar Carbenes across an Unsymmetrically Substituted Alkyne: Regio- and Stereoselective Synthesis of Trisubstituted 1,3-Dienes","Organometallics","2011","30","3","369","","10.1021/om1007314","","","0.71073","MoKα","","0.1571","0.076","","","0.1731","0.2134","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063646","8.7427","0.0002","10.9158","0.0002","10.9738","0.0002","94.763","0.0011","108.957","0.0007","92.8772","0.0002","983.73","0.03","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Co O5 S -","- C20 H21 Co O5 S -","- C40 H42 Co2 O10 S2 -","2","1","","O’Connor, Joseph M.; Chen, Ming-Chou; Holland, Ryan L.; Rheingold, Arnold L.","Addition of Dissimilar Carbenes across an Unsymmetrically Substituted Alkyne: Regio- and Stereoselective Synthesis of Trisubstituted 1,3-Dienes","Organometallics","2011","30","3","369","","10.1021/om1007314","","","0.71073","MoKα","","0.0435","0.0395","","","0.1296","0.1324","","","","","","1.081","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063647","10.744","0.002","15.66","0.003","29.067","0.005","90","","96.143","0.003","90","","4862.5","1.5","100","1","100","1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 B F20 N O Zr -","- C52.01 H46.015 B F20 N O Zr -","- C208.04 H184.06 B4 F80 N4 O4 Zr4 -","4","1","","Novarino, Elena; Guerrero Rios, Itzel; van der Veer, Siebe; Meetsma, Auke; Hessen, Bart; Bouwkamp, Marco W.","Catalyst Deactivation Reactions: The Role of Tertiary Amines Revisited","Organometallics","2011","30","1","92","","10.1021/om1007693","","","0.71073","MoKα","","0.1149","0.0717","","","0.176","0.1974","","","","","","1.044","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063648","10.038","0.0016","14.222","0.002","16.969","0.003","90","","106.879","0.002","90","","2318.1","0.6","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 N Zr -","- C25 H43 N Zr -","- C100 H172 N4 Zr4 -","4","1","","Novarino, Elena; Guerrero Rios, Itzel; van der Veer, Siebe; Meetsma, Auke; Hessen, Bart; Bouwkamp, Marco W.","Catalyst Deactivation Reactions: The Role of Tertiary Amines Revisited","Organometallics","2011","30","1","92","","10.1021/om1007693","","","0.71073","MoKα","","0.0456","0.0364","","","0.0901","0.0948","","","","","","1.074","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063649","10.421","0.0011","11.5754","0.0012","16.7801","0.0017","94.799","0.001","104.394","0.001","92.759","0.001","1948.7","0.3","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C48 H57 B O Zr -","- C48 H57 B O Zr -","- C96 H114 B2 O2 Zr2 -","2","1","","Novarino, Elena; Guerrero Rios, Itzel; van der Veer, Siebe; Meetsma, Auke; Hessen, Bart; Bouwkamp, Marco W.","Catalyst Deactivation Reactions: The Role of Tertiary Amines Revisited","Organometallics","2011","30","1","92","","10.1021/om1007693","","","0.71073","MoKα","","0.0753","0.0568","","","0.1314","0.1416","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063650","11.9406","0.0003","13.2173","0.0004","15.0648","0.0004","86.091","0.001","70.006","0.001","66.423","0.001","2041.25","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H26 Cl2 O10 Os3 P2 -","- C41 H26 Cl2 O10 Os3 P2 -","- C82 H52 Cl4 O20 Os6 P4 -","2","1","","Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A.; Borden, Weston Thatcher; Richmond, Michael G.","Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2]","Organometallics","2011","30","5","1253","","10.1021/om100783f","","","0.71073","MoKα","","0.016","0.014","","","0.0322","0.0328","","","","","","1.012","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063651","10.9829","0.0017","20.218","0.003","17.53","0.003","90","","96.856","0.003","90","","3864.7","1.1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 O10 Os3 P2 -","- C40 H24 O10 Os3 P2 -","- C160 H96 O40 Os12 P8 -","4","1","","Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A.; Borden, Weston Thatcher; Richmond, Michael G.","Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2]","Organometallics","2011","30","5","1253","","10.1021/om100783f","","","0.71073","MoKα","","0.0528","0.0301","","","0.0456","0.0492","","","","","","0.905","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063652","21.7445","0.0015","16.7738","0.0019","21.9364","0.0019","90","","90","","90","","8001","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H26 Cl2 O9 Os3 P2 -","- C40 H25 Cl2 O9 Os3 P2 -","- C320 H200 Cl16 O72 Os24 P16 -","8","1","","Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A.; Borden, Weston Thatcher; Richmond, Michael G.","Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2]","Organometallics","2011","30","5","1253","","10.1021/om100783f","","","0.71073","MoKα","","0.0697","0.0388","","","0.0748","0.0805","","","","","","1.028","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063653","12.1322","0.0005","17.5733","0.0008","21.5981","0.001","94.371","0.001","101.218","0.001","106.671","0.001","4284","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H23 F4 O10 Os3 P2 -","- C43 H23 F4 O10 Os3 P2 -","- C172 H92 F16 O40 Os12 P8 -","4","2","","Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A.; Borden, Weston Thatcher; Richmond, Michael G.","Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2]","Organometallics","2011","30","5","1253","","10.1021/om100783f","","","0.71073","MoKα","","0.0287","0.024","","","0.059","0.0612","","","","","","1.026","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063654","11.4132","0.0006","19.1086","0.0011","18.8695","0.0011","90","","95.543","0.001","90","","4096","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H20 Cl3 F4 O9 Os3 P2 -","- C40 H20 Cl3 F4 O9 Os3 P2 -","- C160 H80 Cl12 F16 O36 Os12 P8 -","4","1","","Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A.; Borden, Weston Thatcher; Richmond, Michael G.","Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2]","Organometallics","2011","30","5","1253","","10.1021/om100783f","","","0.71073","MoKα","","0.03","0.0238","","","0.0563","0.0591","","","","","","1.041","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063655","11.884","0.002","17.465","0.003","30.543","0.006","90","","90","","90","","6339","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.5 H20 Cl N O7 Ru3 -","- C35.5 H20 Cl N O7 Ru3 -","- C284 H160 Cl8 N8 O56 Ru24 -","8","1","","Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond","Organometallics","2011","30","4","676","","10.1021/om1008007","","","0.7107","MoKα","","0.0507","0.0466","","","0.0852","0.0868","","","","","","1.204","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063656","11.7745","0.0017","12.896","0.002","15.508","0.002","100.362","0.003","91.551","0.003","90.523","0.003","2315.3","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H41 Cl2 N O2 Ru2 -","- C59 H41 Cl2 N O2 Ru2 -","- C118 H82 Cl4 N2 O4 Ru4 -","2","1","","Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond","Organometallics","2011","30","4","676","","10.1021/om1008007","","","0.7107","MoKα","","0.0405","0.035","","","0.0795","0.0829","","","","","","1.034","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063657","16.572","0.014","10.185","0.009","27.55","0.02","90","","98.248","0.015","90","","4602","7","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H32.5 Cl2 N O6.75 Ru3 -","- C49 H29 Cl2 N O6.75 Ru3 -","- C196 H116 Cl8 N4 O27 Ru12 -","4","1","","Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond","Organometallics","2011","30","4","676","","10.1021/om1008007","","","0.71073","MoKα","","0.0767","0.0506","","","0.12","0.1338","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063658","20.532","0.005","13.568","0.003","18.234","0.004","90","","102.23","0.004","90","","4964","2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H41 Cl2 N O4 Ru3 -","- C61 H41 Cl2 N O4 Ru3 -","- C244 H164 Cl8 N4 O16 Ru12 -","4","1","","Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond","Organometallics","2011","30","4","676","","10.1021/om1008007","","","0.71073","MoKα","","0.1172","0.0469","","","0.0949","0.1221","","","","","","0.988","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063659","9.7376","0.0015","15.292","0.002","17.301","0.003","90","","91.758","0.002","90","","2575","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 N O7 Ru3 -","- C29 H15 N O7 Ru3 -","- C116 H60 N4 O28 Ru12 -","4","1","","Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond","Organometallics","2011","30","4","676","","10.1021/om1008007","","","0.7107","MoKα","","0.0304","0.0244","","","0.0536","0.0562","","","","","","1.038","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063660","10.0956","0.0011","15.8247","0.0018","19.84","0.002","90","","92.212","0.002","90","","3167.3","0.6","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 N O6 Ru3 -","- C36 H21 N O6 Ru3 -","- C144 H84 N4 O24 Ru12 -","4","1","","Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond","Organometallics","2011","30","4","676","","10.1021/om1008007","","","0.71073","MoKα","","0.0481","0.0297","","","0.0685","0.0782","","","","","","1.049","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063661","10.591","0.003","17.577","0.005","16.021","0.004","90","","97.542","0.005","90","","2956.6","1.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 N O5 Ru2 -","- C35 H21 N O5 Ru2 -","- C140 H84 N4 O20 Ru8 -","4","1","","Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond","Organometallics","2011","30","4","676","","10.1021/om1008007","","","0.71073","MoKα","","0.0845","0.0402","","","0.0717","0.0847","","","","","","1.024","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063662","10.5072","0.00016","10.6841","0.0002","13.3462","0.0002","102.812","0.002","97.385","0.001","93.308","0.001","1443.05","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 Ir N2 P -","- C32 H42 Ir N2 P -","- C64 H84 Ir2 N4 P2 -","2","1","","Lindner, Ronald; van den Bosch, Bart; Lutz, Martin; Reek, Joost N. H.; van der Vlugt, Jarl Ivar","Tunable Hemilabile Ligands for Adaptive Transition Metal Complexes","Organometallics","2011","30","3","499","","10.1021/om100804k","","","0.71073","MoKα","","0.0152","0.0129","","","0.029","0.0297","","","","","","1.028","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063663","12.8055","0.0005","10.3197","0.0005","13.8372","0.0007","90","","102.337","0.003","90","","1786.35","0.14","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Ca N2 -","- C20 H20 Ca N2 -","- C80 H80 Ca4 N8 -","4","1","","Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds","Organometallics","2011","30","6","1359","","10.1021/om100806f","","","0.71073","MoKα","","0.0918","0.0457","","","0.0966","0.1132","","","","","","0.992","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063664","13.7655","0.0009","9.1204","0.0005","13.9518","0.0009","90","","111.725","0.002","90","","1627.19","0.18","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Ca N2 -","- C16 H26 Ca N2 -","- C64 H104 Ca4 N8 -","4","0.5","","Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds","Organometallics","2011","30","6","1359","","10.1021/om100806f","","","0.71073","MoKα","","0.096","0.0769","","","0.2295","0.2487","","","","","","1.105","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063665","9.2245","0.0003","9.2245","0.0003","22.8129","0.0007","90","","90","","90","","1941.18","0.11","183","2","183","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H30 Ca O2 -","- C20 H30 Ca O2 -","- C80 H120 Ca4 O8 -","4","0.5","","Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds","Organometallics","2011","30","6","1359","","10.1021/om100806f","","","0.71073","MoKα","","0.0498","0.0346","","","0.0758","0.0824","","","","","","1.017","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063666","12.2701","0.0005","8.0584","0.0004","16.4832","0.0006","90","","93.553","0.003","90","","1626.68","0.12","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Ca O3 -","- C16 H24 Ca O3 -","- C64 H96 Ca4 O12 -","4","1","","Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds","Organometallics","2011","30","6","1359","","10.1021/om100806f","","","0.71073","MoKα","","0.0697","0.0434","","","0.101","0.1119","","","","","","1.039","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063667","9.3312","0.0003","13.9775","0.0008","14.7253","0.0007","90","","105.018","0.003","90","","1854.98","0.15","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Ca O4 -","- C18 H28 Ca O4 -","- C72 H112 Ca4 O16 -","4","1","","Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds","Organometallics","2011","30","6","1359","","10.1021/om100806f","","","0.71073","MoKα","","0.0842","0.0426","","","0.0828","0.0971","","","","","","0.96","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063668","8.2168","0.0002","21.8974","0.0004","11.4993","0.0004","90","","93.108","0.001","90","","2065.99","0.1","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Ca O5 -","- C20 H32 Ca O5 -","- C80 H128 Ca4 O20 -","4","1","","Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds","Organometallics","2011","30","6","1359","","10.1021/om100806f","","","0.71073","MoKα","","0.0788","0.0535","","","0.1046","0.1173","","","","","","1.08","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063669","8.3531","0.0004","14.9282","0.0009","15.4448","0.0009","66.436","0.003","76.088","0.004","88.291","0.004","1708.77","0.17","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 Ca2 O6 -","- C34 H48 Ca2 O6 -","- C68 H96 Ca4 O12 -","2","1","","Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds","Organometallics","2011","30","6","1359","","10.1021/om100806f","","","0.71073","MoKα","","0.1646","0.0637","","","0.117","0.1495","","","","","","0.95","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063670","14.1216","0.0009","8.0719","0.0006","15.5962","0.0009","90","","95.284","0.003","90","","1770.2","0.2","183","2","183","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C37 H48 Ca2 O4 -","- C37 H48 Ca2 O4 -","- C74 H96 Ca4 O8 -","2","0.5","","Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds","Organometallics","2011","30","6","1359","","10.1021/om100806f","","","0.71073","MoKα","","0.102","0.0496","","","0.0928","0.1102","","","","","","0.994","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063671","11.1896","0.0007","13.6623","0.0008","29.1518","0.0018","90","","90","","90","","4456.6","0.5","250","2","250","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H52 B Cl Fe N P Ru -","- C55 H52 B Cl Fe N P Ru -","- C220 H208 B4 Cl4 Fe4 N4 P4 Ru4 -","4","1","","Torres, Javier; Sepúlveda, Francisco; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Zirakzadeh, Afrooz; Weissensteiner, Walter; Mucientes, Antonio E.; Peña, M. Angeles de la","Ruthenium Arene Derivatives of Chiral Ferrocene-Based P,N or P,O Ligands. Transformation of Chloro‒Alcohol into Hydrido‒Carbonyl Complexes","Organometallics","2011","30","13","3490","","10.1021/om1008132","","","0.71073","MoKα","","0.1306","0.06","","","0.1235","0.1653","","","","","","0.971","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063672","13.503","0.0005","12.297","0.0004","15.103","0.0006","90","","113.286","0.002","90","","2303.52","0.15","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H56 B Fe O P Ru -","- C58 H56 B Fe O P Ru -","- C116 H112 B2 Fe2 O2 P2 Ru2 -","2","1","","Torres, Javier; Sepúlveda, Francisco; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Zirakzadeh, Afrooz; Weissensteiner, Walter; Mucientes, Antonio E.; Peña, M. Angeles de la","Ruthenium Arene Derivatives of Chiral Ferrocene-Based P,N or P,O Ligands. Transformation of Chloro‒Alcohol into Hydrido‒Carbonyl Complexes","Organometallics","2011","30","13","3490","","10.1021/om1008132","","","0.71073","MoKα","","0.0509","0.0413","","","0.0713","0.0754","","","","","","1.022","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063673","12.6755","0.0009","13.9958","0.001","17.6268","0.0013","98.933","0.001","98.641","0.001","90.727","0.001","3052","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H70 Lu N5 P2 -","- C74 H70 Lu N5 P2 -","- C148 H140 Lu2 N10 P4 -","2","1","","Johnson, Kevin R. D.; Hayes, Paul G.","Kinetic and Mechanistic Investigation of Metallacycle Ring Opening in an Ortho-Metalated Lutetium Aryl Complex","Organometallics","2011","30","1","58","","10.1021/om100814h","","","0.71073","MoKα","","0.0267","0.0219","","","0.0523","0.0546","","","","","","1.046","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063674","32.99","0.003","23.689","0.002","23.446","0.002","90","","104.058","0.001","90","","17774","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H81 Lu N4 P2 -","- C74 H81 Lu N4 P2 -","- C592 H648 Lu8 N32 P16 -","8","1","","Johnson, Kevin R. D.; Hayes, Paul G.","Kinetic and Mechanistic Investigation of Metallacycle Ring Opening in an Ortho-Metalated Lutetium Aryl Complex","Organometallics","2011","30","1","58","","10.1021/om100814h","","","0.71073","MoKα","","0.0776","0.0449","","","0.1119","0.1224","","","","","","0.942","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063675","14.357","0.002","16.959","0.003","17.593","0.003","85.737","0.002","74.59","0.002","77.178","0.002","4026","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H112 Lu N5 P2 -","- C91 H112 Lu N5 P2 -","- C182 H224 Lu2 N10 P4 -","2","1","","Johnson, Kevin R. D.; Hayes, Paul G.","Kinetic and Mechanistic Investigation of Metallacycle Ring Opening in an Ortho-Metalated Lutetium Aryl Complex","Organometallics","2011","30","1","58","","10.1021/om100814h","","","0.71073","MoKα","","0.1609","0.0731","","","0.1486","0.1795","","","","","","0.948","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063676","14.5712","0.0002","15.8518","0.0001","17.1185","0.0002","90","","111.384","0.001","90","","3681.82","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H74 Cl8 N2 O10 P2 Pd2 -","- C74 H74 Cl8 N2 O10 P2 Pd2 -","- C148 H148 Cl16 N4 O20 P4 Pd4 -","2","0.5","","Fernández, Alberto; López-Torres, Margarita; Castro-Juiz, Samuel; Merino, Manuel; Vázquez-García, Digna; Vila, José M.; Fernández, Jesús J.","Dimetalated Crown Ether Schiff Base Palladacycles. Influence of the Carbon Chain Length on the Coordination Mode of Bidentate Phosphines. Crystal and Molecular Structure of the Novel Complex [Pd2{1,4-[C(H)═N{9,10-(C8H16O5)C6H3}]2C6H2-C2,C5}(Cl)2{μ-Ph2P(CH2)5PPh2}2]","Organometallics","2011","30","3","386","","10.1021/om100833w","","","0.71073","MoKα","","0.1219","0.0702","","","0.176","0.2059","","","","","","1.052","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063677","13.0434","0.0002","15.7309","0.0002","23.6952","0.0001","88.143","0.001","77.156","0.001","76.207","0.001","4602.46","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H112 Cl2 N2 O11 P4 Pd2 -","- C98 H112 Cl2 N2 O11 P4 Pd2 -","- C196 H224 Cl4 N4 O22 P8 Pd4 -","2","1","","Fernández, Alberto; López-Torres, Margarita; Castro-Juiz, Samuel; Merino, Manuel; Vázquez-García, Digna; Vila, José M.; Fernández, Jesús J.","Dimetalated Crown Ether Schiff Base Palladacycles. Influence of the Carbon Chain Length on the Coordination Mode of Bidentate Phosphines. Crystal and Molecular Structure of the Novel Complex [Pd2{1,4-[C(H)═N{9,10-(C8H16O5)C6H3}]2C6H2-C2,C5}(Cl)2{μ-Ph2P(CH2)5PPh2}2]","Organometallics","2011","30","3","386","","10.1021/om100833w","","","0.71073","MoKα","","0.0743","0.0438","","","0.0897","0.105","","","","","","1.063","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063678","16.043","0.0002","16.6127","0.0003","22.0454","0.0002","90","","95.108","0.001","90","","5852.15","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106.5 H110.5 Cl9.5 N2 O10 P6 Pd2 -","- C106.5 H110.5 Cl9.5 N2 O10 P6 Pd2 -","- C213 H221 Cl19 N4 O20 P12 Pd4 -","2","0.5","","Fernández, Alberto; López-Torres, Margarita; Castro-Juiz, Samuel; Merino, Manuel; Vázquez-García, Digna; Vila, José M.; Fernández, Jesús J.","Dimetalated Crown Ether Schiff Base Palladacycles. Influence of the Carbon Chain Length on the Coordination Mode of Bidentate Phosphines. Crystal and Molecular Structure of the Novel Complex [Pd2{1,4-[C(H)═N{9,10-(C8H16O5)C6H3}]2C6H2-C2,C5}(Cl)2{μ-Ph2P(CH2)5PPh2}2]","Organometallics","2011","30","3","386","","10.1021/om100833w","","","0.71073","MoKα","","0.1247","0.0658","","","0.1764","0.2107","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063679","11.9534","0.0008","6.1044","0.0004","18.5872","0.0015","90","","101.041","0.006","90","","1331.17","0.17","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 N6 -","- C29 H40 N6 -","- C58 H80 N12 -","2","0.5","","Stollenz, Michael; Gehring, Henrike; Konstanzer, Vera; Fischer, Stefan; Dechert, Sebastian; Grosse, Christian; Meyer, Franc","From Pyrazolate-Based Binuclear Copper(I) Complexes to Octanuclear σ-Mesityl-Bridged μ4-Oxo-Cuprocuprates: Controlled Dioxygen Splitting by Organocopper Scaffolds","Organometallics","2011","30","14","3708","","10.1021/om100836j","","","0.71073","MoKα","","0.0739","0.0481","","","0.1058","0.1126","","","","","","1.017","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063680","11.157","0.002","11.544","0.002","31.35","0.006","91.6","0.03","97.93","0.03","92.49","0.03","3993","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H57 B Cu2 F4 N6 P2 -","- C35 H57 B Cu2 F4 N6 P2 -","- C140 H228 B4 Cu8 F16 N24 P8 -","4","2","","Stollenz, Michael; Gehring, Henrike; Konstanzer, Vera; Fischer, Stefan; Dechert, Sebastian; Grosse, Christian; Meyer, Franc","From Pyrazolate-Based Binuclear Copper(I) Complexes to Octanuclear σ-Mesityl-Bridged μ4-Oxo-Cuprocuprates: Controlled Dioxygen Splitting by Organocopper Scaffolds","Organometallics","2011","30","14","3708","","10.1021/om100836j","","x-ray","1.54178","CuKα","","0.0358","0.0329","","","0.0882","0.0928","","","","","","1.044","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063681","13.0195","0.0008","13.227","0.0008","14.243","0.0008","70.774","0.005","75.933","0.005","72.91","0.005","2184.4","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H47 B Cl2 Cu2 F4 N8 -","- C42 H47 B Cl2 Cu2 F4 N8 -","- C84 H94 B2 Cl4 Cu4 F8 N16 -","2","1","","Stollenz, Michael; Gehring, Henrike; Konstanzer, Vera; Fischer, Stefan; Dechert, Sebastian; Grosse, Christian; Meyer, Franc","From Pyrazolate-Based Binuclear Copper(I) Complexes to Octanuclear σ-Mesityl-Bridged μ4-Oxo-Cuprocuprates: Controlled Dioxygen Splitting by Organocopper Scaffolds","Organometallics","2011","30","14","3708","","10.1021/om100836j","","","0.71073","MoKα","","0.0759","0.0472","","","0.1125","0.1206","","","","","","1.016","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063682","64.988","0.013","17.154","0.003","21.229","0.004","90","","100.91","0.03","90","","23238","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H143 Cu12 N18 O2.5 -","- C115 H143 Cu12 N18 O2.5 -","- C920 H1144 Cu96 N144 O20 -","8","1","","Stollenz, Michael; Gehring, Henrike; Konstanzer, Vera; Fischer, Stefan; Dechert, Sebastian; Grosse, Christian; Meyer, Franc","From Pyrazolate-Based Binuclear Copper(I) Complexes to Octanuclear σ-Mesityl-Bridged μ4-Oxo-Cuprocuprates: Controlled Dioxygen Splitting by Organocopper Scaffolds","Organometallics","2011","30","14","3708","","10.1021/om100836j","","x-ray","1.54178","CuKα","","0.0957","0.0916","","","0.3067","0.3082","","","","","","3.206","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4063683","17.4933","0.0007","18.5505","0.0007","19.8633","0.0007","112.961","0.003","93.578","0.003","111.651","0.003","5353.7","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C109 H150 Cu8 N12 O3 -","- C109 H150 Cu8 N12 O3 -","- C218 H300 Cu16 N24 O6 -","2","1","","Stollenz, Michael; Gehring, Henrike; Konstanzer, Vera; Fischer, Stefan; Dechert, Sebastian; Grosse, Christian; Meyer, Franc","From Pyrazolate-Based Binuclear Copper(I) Complexes to Octanuclear σ-Mesityl-Bridged μ4-Oxo-Cuprocuprates: Controlled Dioxygen Splitting by Organocopper Scaffolds","Organometallics","2011","30","14","3708","","10.1021/om100836j","","","0.71073","MoKα","","0.1247","0.0637","","","0.0962","0.1112","","","","","","1.002","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063684","42.615","0.006","42.615","0.006","32.935","0.007","90","","90","","90","","59811","17","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C152.5 H212.5 Cu10 N15 O6.25 -","- C152.5 H212.5 Cu10 N15 O6.25 -","- C2440 H3400 Cu160 N240 O100 -","16","1","","Stollenz, Michael; Gehring, Henrike; Konstanzer, Vera; Fischer, Stefan; Dechert, Sebastian; Grosse, Christian; Meyer, Franc","From Pyrazolate-Based Binuclear Copper(I) Complexes to Octanuclear σ-Mesityl-Bridged μ4-Oxo-Cuprocuprates: Controlled Dioxygen Splitting by Organocopper Scaffolds","Organometallics","2011","30","14","3708","","10.1021/om100836j","","x-ray","1.54178","CuKα","","0.0987","0.0667","","","0.1835","0.2227","","","","","","1.278","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4063685","25.1096","0.0006","50.2683","0.0011","18.3179","0.0005","90","","91.799","0.002","90","","23109.8","1","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C106 H110 Cu8 N16 O -","- C106 H110 Cu8 N16 O -","- C848 H880 Cu64 N128 O8 -","8","1","","Stollenz, Michael; Gehring, Henrike; Konstanzer, Vera; Fischer, Stefan; Dechert, Sebastian; Grosse, Christian; Meyer, Franc","From Pyrazolate-Based Binuclear Copper(I) Complexes to Octanuclear σ-Mesityl-Bridged μ4-Oxo-Cuprocuprates: Controlled Dioxygen Splitting by Organocopper Scaffolds","Organometallics","2011","30","14","3708","","10.1021/om100836j","","","0.71073","MoKα","","0.1007","0.0589","","","0.1419","0.1572","","","","","","1.019","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063686","15.6032","0.0007","18.6504","0.0007","19.8654","0.0008","67.364","0.003","86.56","0.003","66.561","0.003","4865.7","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C105.5 H112 Cu8 N12 O2 -","- C105.5 H112 Cu8 N12 O2 -","- C211 H224 Cu16 N24 O4 -","2","1","","Stollenz, Michael; Gehring, Henrike; Konstanzer, Vera; Fischer, Stefan; Dechert, Sebastian; Grosse, Christian; Meyer, Franc","From Pyrazolate-Based Binuclear Copper(I) Complexes to Octanuclear σ-Mesityl-Bridged μ4-Oxo-Cuprocuprates: Controlled Dioxygen Splitting by Organocopper Scaffolds","Organometallics","2011","30","14","3708","","10.1021/om100836j","","","0.71073","MoKα","","0.087","0.0563","","","0.1451","0.1602","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063687","12.6539","0.0003","11.581","0.0003","14.7388","0.0003","90","","111.286","0.001","90","","2012.55","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Mo O2 -","- C26 H20 Mo O2 -","- C104 H80 Mo4 O8 -","4","1","","Honzíček, Jan; Romão, Carlos C.; Calhorda, Maria J.; Mukhopadhyay, Abhik; Vinklárek, Jaromír; Padělková, Zdeňka","Reaction of Spiro[2.4]hepta-4,6-diene with Molybdenum(II) Indenyl Compounds: Effects of Substitution in the Indenyl Ligand","Organometallics","2011","30","4","717","","10.1021/om100840r","","","0.71073","MoKα","","0.0373","0.0276","","","0.0657","0.0702","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4063688","10.6558","0.0004","18.9207","0.0008","19.6544","0.0008","90","","92.642","0.001","90","","3958.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 B F4 Mo O -","- C23 H19 B F4 Mo O -","- C184 H152 B8 F32 Mo8 O8 -","8","2","","Honzíček, Jan; Romão, Carlos C.; Calhorda, Maria J.; Mukhopadhyay, Abhik; Vinklárek, Jaromír; Padělková, Zdeňka","Reaction of Spiro[2.4]hepta-4,6-diene with Molybdenum(II) Indenyl Compounds: Effects of Substitution in the Indenyl Ligand","Organometallics","2011","30","4","717","","10.1021/om100840r","","","0.71073","MoKα","","0.0305","0.0264","","","0.0659","0.0754","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063689","9.643","0.0008","11.9781","0.0006","22.1769","0.0017","90","","110.86","0.01","90","","2393.6","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 B F4 Mo O -","- C29 H23 B F4 Mo O -","- C116 H92 B4 F16 Mo4 O4 -","4","1","","Honzíček, Jan; Romão, Carlos C.; Calhorda, Maria J.; Mukhopadhyay, Abhik; Vinklárek, Jaromír; Padělková, Zdeňka","Reaction of Spiro[2.4]hepta-4,6-diene with Molybdenum(II) Indenyl Compounds: Effects of Substitution in the Indenyl Ligand","Organometallics","2011","30","4","717","","10.1021/om100840r","","","0.71073","MoKα","","0.0968","0.0565","","","0.121","0.1479","","","","","","1.064","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063690","8.369","0.001","30.25","0.001","12.931","0.001","90","","90.7","0.001","90","","3273.4","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36.5 H41 Cl P2 Ru -","- C36.5 H41 Cl P2 Ru -","- C146 H164 Cl4 P8 Ru4 -","4","2","","Carmichael, Duncan; Klankermayer, Jürgen; Muller, Eric; Pietrusiewicz, K. Michal; Ricard, Louis; Seeboth, Nicolas; Sowa, Sylwia; Stankevič, Marek","Synthesis and Evaluation of Side-Arm-Alkylated Phosphametallocene Phosphines","Organometallics","2011","30","7","1804","","10.1021/om100845p","","","0.71069","MoKα","","0.0343","0.0295","","","0.061","0.0626","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063691","11.423","0.002","15.391","0.003","11.902","0.002","90","","94.632","0.003","90","","2085.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H45 Br Cl6 P2 Pt -","- C38 H45 Br Cl6 P2 Pt -","- C76 H90 Br2 Cl12 P4 Pt2 -","2","1","","Zuzek, Ashley A.; Reynolds, Samantha C.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structure of Gold and Platinum Menthyl Complexes","Organometallics","2011","30","7","1812","","10.1021/om1008555","","","0.71073","MoKα","","0.0232","0.0221","","","0.0525","0.0532","","","","","","0.754","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063692","7.395","0.003","16.525","0.006","20.417","0.007","90","","90","","90","","2495","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 Au P -","- C28 H34 Au P -","- C112 H136 Au4 P4 -","4","1","","Zuzek, Ashley A.; Reynolds, Samantha C.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structure of Gold and Platinum Menthyl Complexes","Organometallics","2011","30","7","1812","","10.1021/om1008555","","","0.71073","MoKα","","0.0218","0.0202","","","0.0409","0.0415","","","","","","1.002","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063693","11.448","0.004","13.642","0.005","14.698","0.006","79.751","0.004","82.072","0.004","85.325","0.004","2233.4","1.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H96 Ag4 Br4 N8 -","- C84 H96 Ag4 Br4 N8 -","- C84 H96 Ag4 Br4 N8 -","1","0.5","","Saito, Shinichi; Saika, Mitsuya; Yamasaki, Ryu; Azumaya, Isao; Masu, Hyuma","Synthesis and Structure of Dinuclear Silver(I) and Palladium(II) Complexes of 2,7-Bis(methylene)naphthalene-Bridged Bis-N-Heterocyclic Carbene Ligands","Organometallics","2011","30","6","1366","","10.1021/om1008583","","","0.71073","MoKα","","0.1585","0.0882","","","0.2381","0.2555","","","","","","1.316","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063694","12.397","0.008","26.722","0.017","16.62","0.011","90","","106.873","0.008","90","","5269","6","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H128 Ag2 F12 N8 O4 P2 -","- C100 H128 Ag2 F12 N8 O4 P2 -","- C200 H256 Ag4 F24 N16 O8 P4 -","2","0.5","","Saito, Shinichi; Saika, Mitsuya; Yamasaki, Ryu; Azumaya, Isao; Masu, Hyuma","Synthesis and Structure of Dinuclear Silver(I) and Palladium(II) Complexes of 2,7-Bis(methylene)naphthalene-Bridged Bis-N-Heterocyclic Carbene Ligands","Organometallics","2011","30","6","1366","","10.1021/om1008583","","","0.71073","MoKα","","0.1942","0.0826","","","0.1619","0.1971","","","","","","0.863","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063695","13.718","0.004","14.673","0.004","21.99","0.006","90","","97.512","0.003","90","","4388","2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H100 Cl8 N8 Pd2 -","- C86 H100 Cl8 N8 Pd2 -","- C172 H200 Cl16 N16 Pd4 -","2","0.5","","Saito, Shinichi; Saika, Mitsuya; Yamasaki, Ryu; Azumaya, Isao; Masu, Hyuma","Synthesis and Structure of Dinuclear Silver(I) and Palladium(II) Complexes of 2,7-Bis(methylene)naphthalene-Bridged Bis-N-Heterocyclic Carbene Ligands","Organometallics","2011","30","6","1366","","10.1021/om1008583","","","0.71073","MoKα","","0.0703","0.0436","","","0.1029","0.1164","","","","","","1.048","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063696","21.009","0.005","17.498","0.004","25.748","0.006","90","","96.463","0.004","90","","9405","4","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H110 Br4 N8 Pd2 -","- C90 H110 Br4 N8 Pd2 -","- C360 H440 Br16 N32 Pd8 -","4","1","","Saito, Shinichi; Saika, Mitsuya; Yamasaki, Ryu; Azumaya, Isao; Masu, Hyuma","Synthesis and Structure of Dinuclear Silver(I) and Palladium(II) Complexes of 2,7-Bis(methylene)naphthalene-Bridged Bis-N-Heterocyclic Carbene Ligands","Organometallics","2011","30","6","1366","","10.1021/om1008583","","","0.71073","MoKα","","0.1312","0.0646","","","0.1498","0.171","","","","","","0.855","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063697","35.0351","0.0008","9.8429","0.0002","23.6265","0.0006","90","","130.537","0.001","90","","6192","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H68 Cl4 I4 N8 Pd2 -","- C54 H68 Cl4 I4 N8 Pd2 -","- C216 H272 Cl16 I16 N32 Pd8 -","4","0.5","","Saito, Shinichi; Saika, Mitsuya; Yamasaki, Ryu; Azumaya, Isao; Masu, Hyuma","Synthesis and Structure of Dinuclear Silver(I) and Palladium(II) Complexes of 2,7-Bis(methylene)naphthalene-Bridged Bis-N-Heterocyclic Carbene Ligands","Organometallics","2011","30","6","1366","","10.1021/om1008583","","","1.54178","CuKα","","0.0551","0.0516","","","0.1346","0.1376","","","","","","1.093","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063698","10.2335","0.0002","17.6756","0.0003","13.3597","0.0002","90","","103.876","0.001","90","","2346.02","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(cod)Ir(Cl)(u-CF3PCPH)]x","","","- C20 H20 Cl F12 Ir P2 -","- C20 H20 Cl F12 Ir P2 -","- C80 H80 Cl4 F48 Ir4 P8 -","4","1","","Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties","Organometallics","2011","30","4","689","","10.1021/om1008633","","","0.71073","MoKα","","0.0768","0.0425","","","0.0799","0.092","","","","","","0.923","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063699","7.8078","0.0002","18.8536","0.0005","27.1182","0.0006","90","","90","","90","","3991.94","0.17","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(H)(Cl)(CO)","","","- C13 H8 Cl F12 Ir O P2 -","- C13 H8 Cl F12 Ir O P2 -","- C104 H64 Cl8 F96 Ir8 O8 P16 -","8","1","","Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties","Organometallics","2011","30","4","689","","10.1021/om1008633","","","0.71073","MoKα","","0.0402","0.0277","","","0.0494","0.0527","","","","","","1.128","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063700","11.0867","0.0002","11.1705","0.0004","11.5188","0.0002","97.918","0.001","118.682","0.001","97.732","0.001","1206.06","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(CF3PCP)Ir(H)(CO)2+SbF6-","","","- C14 H8 F18 Ir O2 P2 Sb -","- C14 H8 F18 Ir O2 P2 Sb -","- C28 H16 F36 Ir2 O4 P4 Sb2 -","2","1","","Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties","Organometallics","2011","30","4","689","","10.1021/om1008633","","","0.71073","MoKα","","0.0194","0.0185","","","0.0456","0.046","","","","","","1.055","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063701","14.2083","0.0005","15.4906","0.0006","18.3401","0.0007","90","","90","","90","","4036.6","0.3","150","2","150","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","[(CF3PCP)Ir(H)(CO)]2(u-Cl)+SbF6-","","","- C26 H16 Cl F30 Ir2 O2 P4 Sb -","- C26 H16 Cl F30 Ir2 O2 P4 Sb -","- C104 H64 Cl4 F120 Ir8 O8 P16 Sb4 -","4","0.5","","Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties","Organometallics","2011","30","4","689","","10.1021/om1008633","","","0.71073","MoKα","","0.0594","0.031","","","0.057","0.0652","","","","","","1.012","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063702","10.0745","0.0003","18.4775","0.0006","13.7873","0.0004","90","","100.019","0.002","90","","2527.39","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(CF3PCP)Ir(H)(CO)(H2O)+SbF6-","","","- C13 H10 F18 Ir O2 P2 Sb -","- C13 H10 F18 Ir O2 P2 Sb -","- C52 H40 F72 Ir4 O8 P8 Sb4 -","4","1","","Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties","Organometallics","2011","30","4","689","","10.1021/om1008633","","","0.71073","MoKα","","0.065","0.0377","","","0.0729","0.0816","","","","","","1.028","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063703","9.2373","0.0002","10.7994","0.0002","19.0984","0.0003","81.475","0.001","85.131","0.001","84.915","0.001","1871.76","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(CF3PCP)Ir(CO)","","","- C13 H7 F12 Ir O P2 -","- C13 H7 F12 Ir O P2 -","- C52 H28 F48 Ir4 O4 P8 -","4","2","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.023","0.0183","","","0.0398","0.0415","","","","","","1.029","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063704","14.2823","0.0002","18.7051","0.0002","19.6477","0.0002","90","","90","","90","","5248.92","0.11","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(NBU)","","","- C21 H23 F12 Ir N2 P2 -","- C21 H23 F12 Ir N2 P2 -","- C168 H184 F96 Ir8 N16 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0568","0.0368","","","0.0756","0.081","","","","","","1.108","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063705","14.8158","0.0009","9.8214","0.0005","27.224","0.0015","90","","90","","90","","3961.4","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(CO)2","","","- C14 H7 F12 Ir O2 P2 -","- C14 H7 F12 Ir O2 P2 -","- C112 H56 F96 Ir8 O16 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0493","0.0293","","","0.061","0.0672","","","","","","1.017","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063706","9.9471","0.0005","10.4465","0.0005","12.7117","0.0006","89.28","0.002","84.591","0.002","77.878","0.002","1285.66","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(CF3PCP)Ir(dfmp)","","","- C17 H10 F22 Ir P3 -","- C17 H10 F22 Ir P3 -","- C34 H20 F44 Ir2 P6 -","2","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0525","0.0466","","","0.1244","0.1297","","","","","","1.025","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063707","9.9726","0.0003","10.3211","0.0003","18.2226","0.0005","74.975","0.001","78.646","0.001","68.139","0.001","1670.67","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(CF3PCP)Ir(dfmp)2","","","- C22 H13 F32 Ir P4 -","- C22 H13 F32 Ir P4 -","- C44 H26 F64 Ir2 P8 -","2","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0242","0.0205","","","0.0464","0.0476","","","","","","1.023","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063708","7.807","0.0003","10.4065","0.0004","14.7971","0.0006","90.8","0.002","102.144","0.002","111.645","0.002","1086.84","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(CF3PCP)Ir(NBE)","","","- C19 H17 F12 Ir P2 -","- C19 H17 F12 Ir P2 -","- C38 H34 F24 Ir2 P4 -","2","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0282","0.0233","","","0.0514","0.0529","","","","","","1.012","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063709","14.8697","0.0003","19.7321","0.0004","18.6739","0.0003","90","","103.331","0.001","90","","5331.48","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(CF3PCP)Ir(H)(Cl)2-NEt3H+","","","- C18 H24 Cl2 F12 Ir N P2 -","- C18 H24 Cl2 F12 Ir N P2 -","- C144 H192 Cl16 F96 Ir8 N8 P16 -","8","2","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.065","0.0413","","","0.0938","0.1067","","","","","","1.059","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063710","12.992","0.0004","18.4778","0.0005","26.8556","0.0008","90","","90","","90","","6447.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(COD).2benzene","","","- C32 H31 F12 Ir P2 -","- C32 H31 F12 Ir P2 -","- C256 H248 F96 Ir8 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0754","0.0323","","","0.0607","0.0734","","","","","","0.996","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063711","19.0402","0.0005","10.0471","0.0003","19.3439","0.0005","90","","115.068","0.001","90","","3351.9","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(CF3PCP)Ir(dfepe)","","","- C22 H11 F32 Ir P4 -","- C22 H11 F32 Ir P4 -","- C88 H44 F128 Ir4 P16 -","4","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0407","0.0283","","","0.0585","0.0625","","","","","","1.024","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063712","8.0307","0.0003","33.3109","0.0012","9.657","0.0003","90","","107.707","0.002","90","","2460.95","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(CF3PCP)Ir(BN)(C2H4)","","","- C21 H16 F12 Ir N P2 -","- C21 H16 F12 Ir N P2 -","- C84 H64 F48 Ir4 N4 P8 -","4","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0588","0.0436","","","0.0794","0.0832","","","","","","1.143","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063713","16.0414","0.0003","15.3728","0.0003","16.6881","0.0003","90","","90","","90","","4115.31","0.13","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(CO)(I)(CH3)","","","- C14 H10 F12 I Ir O P2 -","- C14 H10 F12 I Ir O P2 -","- C112 H80 F96 I8 Ir8 O8 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.036","0.0237","","","0.0469","0.0509","","","","","","1.014","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063714","15.6431","0.0001","16.5662","0.0001","17.2591","0.0002","102.428","0.001","106.589","0.001","105.356","0.001","3923.45","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(CF3PCP)Ir(dfmp)(H)2","","","- C17 H12 F22 Ir P3 -","- C17 H12 F22 Ir P3 -","- C102 H72 F132 Ir6 P18 -","6","3","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0689","0.0378","","","0.0733","0.0836","","","","","","0.998","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063715","8.6106","0.0013","16.235","0.002","9.8012","0.0013","90","","92.359","0.002","90","","1369","0.3","113.1","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 Pt S Si4 -","- C22 H38 Pt S Si4 -","- C44 H76 Pt2 S2 Si8 -","2","1","","Tsutsumi, Hironori; Sunada, Yusuke; Nagashima, Hideo","Novel Disilaplatinacyclopentenes Bearing Dialkylsulfide Ligands: Preparation, Characterization, and Mechanistic Consideration of Hydrosilane Reduction of Carboxamides by Bifunctional Organohydrosilanes","Organometallics","2011","30","1","68","","10.1021/om100867f","","","0.7107","MoKα","","","0.0276","","","","0.0759","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063716","10.045","0.004","33.746","0.012","10.429","0.004","90","","98.6","0.005","90","","3495","2","113.1","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H56 Pt S2 Si4 -","- C31 H44 Pt S2 Si4 -","- C124 H176 Pt4 S8 Si16 -","4","2","","Tsutsumi, Hironori; Sunada, Yusuke; Nagashima, Hideo","Novel Disilaplatinacyclopentenes Bearing Dialkylsulfide Ligands: Preparation, Characterization, and Mechanistic Consideration of Hydrosilane Reduction of Carboxamides by Bifunctional Organohydrosilanes","Organometallics","2011","30","1","68","","10.1021/om100867f","","","0.7107","MoKα","","","0.0266","","","","0.0656","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063717","8.787","0.002","17.074","0.004","12.779","0.003","90","","93.668","0.005","90","","1913.3","0.8","113.1","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 Pt S2 Si2 -","- C15 H28 Pt S2 Si2 -","- C60 H112 Pt4 S8 Si8 -","4","1","","Tsutsumi, Hironori; Sunada, Yusuke; Nagashima, Hideo","Novel Disilaplatinacyclopentenes Bearing Dialkylsulfide Ligands: Preparation, Characterization, and Mechanistic Consideration of Hydrosilane Reduction of Carboxamides by Bifunctional Organohydrosilanes","Organometallics","2011","30","1","68","","10.1021/om100867f","","","0.7107","MoKα","","","0.0464","","","","0.1569","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063718","9.201","0.003","15.417","0.005","16.392","0.005","97.145","0.004","91.049","0.003","106.634","0.005","2207.1","1.2","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H55 N4 O3 Pt2 -","- C53 H55 N4 O3 Pt2 -","- C106 H110 N8 O6 Pt4 -","2","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Synthesis and Characterization of Platinasilsesquioxane Complexes and Their Reaction with Arylboronic Acid","Organometallics","2011","30","1","187","","10.1021/om100880h","","","0.7107","MoKα","","","0.0444","","","","0.1137","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063719","10.313","0.003","11.605","0.003","13.639","0.004","86.185","0.009","83.707","0.009","82.981","0.008","1608","0.8","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H36 O P2 Pt -","- C39 H36 O P2 Pt -","- C78 H72 O2 P4 Pt2 -","2","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Synthesis and Characterization of Platinasilsesquioxane Complexes and Their Reaction with Arylboronic Acid","Organometallics","2011","30","1","187","","10.1021/om100880h","","","0.7107","MoKα","","","0.0484","","","","0.0947","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063720","8.4863","0.0002","27.3559","0.0008","11.5806","0.0003","90","","100.671","0.001","90","","2641.95","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Fe3 O11 Ru2 -","- C21 H15 Fe3 O11 Ru2 -","- C84 H60 Fe12 O44 Ru8 -","4","1","","Geetharani, K.; Bose, Shubhankar Kumar; Ghosh, Sundargopal","Synthesis and Structure of [Cp*Ru(CO)2(μ-H){RuFe3(CO)9}]: An Unusual Mixed-Metal Tetrahedral Cluster with an Exopolyhedral Metal Fragment","Organometallics","2011","30","1","191","","10.1021/om100884y","","","0.71073","MoKα","","0.0596","0.0455","","","0.1462","0.1573","","","","","","1.045","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063721","10.3509","0.0001","24.1537","0.0002","17.6886","0.0001","90","","105.935","0.001","90","","4252.44","0.06","85","2","85","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H38 F3 Ir O6 P2 S -","- C46 H38 F3 Ir O6 P2 S -","- C184 H152 F12 Ir4 O24 P8 S4 -","4","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James","Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions","Organometallics","2011","30","1","129","","10.1021/om100888z","","","0.71073","MoKα","","0.0155","0.0147","","","0.0367","0.0374","","","","","","0.676","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063722","9.641","0.005","18.457","0.005","20.325","0.005","90","0","93.287","0.005","90","0","3611","2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cl Ir O2 P2 -","- C44 H38 Cl Ir O2 P2 -","- C176 H152 Cl4 Ir4 O8 P8 -","4","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James","Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions","Organometallics","2011","30","1","129","","10.1021/om100888z","","","0.71073","MoKα","","0.0781","0.0405","","","0.0712","0.0799","","","","","","0.927","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4063723","11.6419","0.0001","14.2429","0.0001","14.4475","0.0002","86.026","0.001","70.497","0.001","69.747","0.001","2115.64","0.04","84","2","84","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H37 Br F3 Ir O6 P2 S -","- C46 H37 Br F3 Ir O6 P2 S -","- C92 H74 Br2 F6 Ir2 O12 P4 S2 -","2","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James","Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions","Organometallics","2011","30","1","129","","10.1021/om100888z","","","0.71073","MoKα","","0.0264","0.0254","","","0.062","0.0628","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063724","18.0293","0.0003","9.6157","0.0001","25.6486","0.0002","90","","109.346","0.001","90","","4195.48","0.09","84","2","84","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 Br3 Cl2 Ir O2 P2 -","- C45 H38 Br3 Cl2 Ir O2 P2 -","- C180 H152 Br12 Cl8 Ir4 O8 P8 -","4","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James","Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions","Organometallics","2011","30","1","129","","10.1021/om100888z","","","0.71073","MoKα","","0.0478","0.0375","","","0.0775","0.083","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063725","16.3082","0.0011","24.8178","0.0017","25.2409","0.0015","90","","90","","90","","10215.8","1.2","90","2","90","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C46 H39 Br4 Cl4 Hg3 Ir O2 P2 -","- C46 H39 Br4 Cl4 Hg3 Ir O2 P2 -","- C368 H312 Br32 Cl32 Hg24 Ir8 O16 P16 -","8","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James","Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions","Organometallics","2011","30","1","129","","10.1021/om100888z","","","0.71073","MoKα","","0.2152","0.0766","","","0.1732","0.2199","","","","","","0.842","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063726","10.5215","0.0001","13.5293","0.0001","14.1961","0.0001","99.11","0.001","93.698","0.001","97.116","0.001","1972.63","0.03","86","2","86","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35 Br4 Ir O2 P2 -","- C44 H35 Br4 Ir O2 P2 -","- C88 H70 Br8 Ir2 O4 P4 -","2","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James","Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions","Organometallics","2011","30","1","129","","10.1021/om100888z","","","0.71073","MoKα","","0.0552","0.0468","","","0.1264","0.1307","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063727","13.622","0.005","17.014","0.006","14.211","0.005","90","","108.205","0.006","90","","3128.7","1.9","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Ag2 Cl4 N5 -","- C30 H35 Ag2 Cl4 N5 -","- C120 H140 Ag8 Cl16 N20 -","4","1","","Blakemore, James D.; Chalkley, Matthew J.; Farnaby, Joy H.; Guard, Louise M.; Hazari, Nilay; Incarvito, Christopher D.; Luzik, Eddie D.; Suh, Hee Won","New BidentateTrans-Chelating N-Heterocyclic Carbene Ligands for Palladium","Organometallics","2011","30","7","1818","","10.1021/om100890q","","","0.71075","MoKα","","","0.055","","","","0.1076","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063728","8.3284","0.0002","36.4062","0.001","8.1077","0.0002","90","","113.213","0.0018","90","","2259.3","0.1","93.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Cl2 N5 Pd -","- C21 H29 Cl2 N5 Pd -","- C84 H116 Cl8 N20 Pd4 -","4","1","","Blakemore, James D.; Chalkley, Matthew J.; Farnaby, Joy H.; Guard, Louise M.; Hazari, Nilay; Incarvito, Christopher D.; Luzik, Eddie D.; Suh, Hee Won","New BidentateTrans-Chelating N-Heterocyclic Carbene Ligands for Palladium","Organometallics","2011","30","7","1818","","10.1021/om100890q","","","1.54187","CuKα","","","0.0373","","","","0.0808","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063729","28.1157","0.0019","8.9886","0.0006","30.068","0.002","90","","111.308","0.0017","90","","7079.4","0.8","223.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H37.5 Cl3.5 N5 Pd -","- C33 H37 Cl2 N5 Pd -","- C264 H296 Cl16 N40 Pd8 -","8","2","","Blakemore, James D.; Chalkley, Matthew J.; Farnaby, Joy H.; Guard, Louise M.; Hazari, Nilay; Incarvito, Christopher D.; Luzik, Eddie D.; Suh, Hee Won","New BidentateTrans-Chelating N-Heterocyclic Carbene Ligands for Palladium","Organometallics","2011","30","7","1818","","10.1021/om100890q","","","0.71075","MoKα","","","0.0781","","","","0.172","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063730","15.1474","0.002","14.5565","0.0019","15.793","0.002","90","","116.049","0.008","90","","3128.5","0.7","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 I2 N5 Pd -","- C27 H41 I2 N5 Pd -","- C108 H164 I8 N20 Pd4 -","4","1","","Blakemore, James D.; Chalkley, Matthew J.; Farnaby, Joy H.; Guard, Louise M.; Hazari, Nilay; Incarvito, Christopher D.; Luzik, Eddie D.; Suh, Hee Won","New BidentateTrans-Chelating N-Heterocyclic Carbene Ligands for Palladium","Organometallics","2011","30","7","1818","","10.1021/om100890q","","","0.71075","MoKα","","","0.0606","","","","0.0901","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063731","10.3477","0.0002","12.1245","0.0003","14.3177","0.0003","101.476","0.0011","91.0133","0.0014","95.6878","0.0013","1750.44","0.07","200","","200","","","","","","","","","7","P -1","-P 1","2","","Tp'(CO)~2~Mo(_-C)SiPh~3~'","","- C36 H37 B Mo N6 O2 Si -","- C36 H37 B Mo N6 O2 Si -","- C72 H74 B2 Mo2 N12 O4 Si2 -","2","1","","Cordiner, Richard L.; Hill, Anthony F.; Shang, Rong; Willis, Anthony C.","Group 14 Substituted Carbyne Complexes—An Almost Complete Set: [Mo(\τb CAPh3)(CO)2(Tp*)] (Tp* = Hydrotris(dimethylpyrazolyl)borate; A = Si, Ge, Sn, Pb but A ≠ C)","Organometallics","2011","30","1","139","","10.1021/om100896r","","","0.71073","MoKα","","0.0475","0.0313","","0.1036","0.0845","0.1036","","","","","","0.8159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063732","8.2963","0.0002","10.2762","0.0002","23.7893","0.0004","82.7608","0.0011","88.3253","0.0009","80.2278","0.0009","1982.72","0.07","200","","200","","","","","","","","local","7","P -1","-P 1","2","","","","- C42 H43 B Ge Mo N6 O2 -","- C42 H43 B Ge Mo N6 O2 -","- C84 H86 B2 Ge2 Mo2 N12 O4 -","2","1","","Cordiner, Richard L.; Hill, Anthony F.; Shang, Rong; Willis, Anthony C.","Group 14 Substituted Carbyne Complexes—An Almost Complete Set: [Mo(\τb CAPh3)(CO)2(Tp*)] (Tp* = Hydrotris(dimethylpyrazolyl)borate; A = Si, Ge, Sn, Pb but A ≠ C)","Organometallics","2011","30","1","139","","10.1021/om100896r","","","0.71073","MoKα","","0.0492","0.0342","","0.0865","0.0823","0.0865","","","","","","0.9714","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063733","10.4624","0.0001","12.2445","0.0002","14.5125","0.0002","102.927","0.0008","92.8843","0.001","94.5805","0.001","1801.79","0.04","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 B Mo N6 O2 Sn -","- C36 H37 B Mo N6 O2 Sn -","- C72 H74 B2 Mo2 N12 O4 Sn2 -","2","1","","Cordiner, Richard L.; Hill, Anthony F.; Shang, Rong; Willis, Anthony C.","Group 14 Substituted Carbyne Complexes—An Almost Complete Set: [Mo(\τb CAPh3)(CO)2(Tp*)] (Tp* = Hydrotris(dimethylpyrazolyl)borate; A = Si, Ge, Sn, Pb but A ≠ C)","Organometallics","2011","30","1","139","","10.1021/om100896r","","","0.71073","MoKα","","0.0411","0.0265","","0.0907","0.0707","0.0907","","","","","","0.7953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063734","15.4068","0.0002","15.9388","0.0003","14.5102","0.0003","90","","90","","90","","3563.21","0.11","200","","200","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H37 B Mo N6 O2 Pb -","- C36 H37 B Mo N6 O2 Pb -","- C144 H148 B4 Mo4 N24 O8 Pb4 -","4","0.5","","Cordiner, Richard L.; Hill, Anthony F.; Shang, Rong; Willis, Anthony C.","Group 14 Substituted Carbyne Complexes—An Almost Complete Set: [Mo(\τb CAPh3)(CO)2(Tp*)] (Tp* = Hydrotris(dimethylpyrazolyl)borate; A = Si, Ge, Sn, Pb but A ≠ C)","Organometallics","2011","30","1","139","","10.1021/om100896r","","","0.71073","MoKα","","0.0437","0.0332","","0.1116","0.088","0.1116","","","","","","0.8814","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063735","8.0951","0.0003","9.969","0.0005","23.1787","0.0011","82.3925","0.0018","88.749","0.002","77.05","0.002","1806.84","0.14","200","","200","","","","","","","","local","7","P -1","-P 1","2","","","","- C36 H40 B Mo N6 O3 Sn -","- C36 H40 B Mo N6 O3 Sn -","- C72 H80 B2 Mo2 N12 O6 Sn2 -","2","1","","Cordiner, Richard L.; Hill, Anthony F.; Shang, Rong; Willis, Anthony C.","Group 14 Substituted Carbyne Complexes—An Almost Complete Set: [Mo(\τb CAPh3)(CO)2(Tp*)] (Tp* = Hydrotris(dimethylpyrazolyl)borate; A = Si, Ge, Sn, Pb but A ≠ C)","Organometallics","2011","30","1","139","","10.1021/om100896r","","","0.71073","MoKα","","0.1191","0.0695","","0.0796","0.066","0.066","","","","","","1.145","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063736","8.9195","0.0004","9.734","0.0005","10.4956","0.0004","113.57","0.004","93.713","0.003","111.227","0.004","754.78","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Br3 N2 Te -","- C12 H9 Br3 N2 Te -","- C24 H18 Br6 N4 Te2 -","2","1","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","1.54184","CuKα","","0.0669","0.0658","","","0.1984","0.1999","","","","","","1.073","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063737","6.5365","0.0001","14.2249","0.0003","21.7793","0.0004","90","","91.737","0.0017","90","","2024.13","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N4 Te -","- C24 H18 N4 Te -","- C96 H72 N16 Te4 -","4","1","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.0461","0.0295","","","0.0631","0.0667","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063738","9.2451","0.0006","12.6258","0.001","10.7974","0.0008","90","","99.882","0.004","90","","1241.65","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I N2 Te -","- C12 H9 I N2 Te -","- C48 H36 I4 N8 Te4 -","4","1","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.0279","0.0214","","","0.0457","0.0482","","","","","","1.031","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063739","29.6142","0.0009","12.8389","0.0003","12.4737","0.0002","90","","90","","90","","4742.7","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 N4 Te -","- C24 H18 Cl2 N4 Te -","- C192 H144 Cl16 N32 Te8 -","8","1","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.091","0.0636","","","0.0978","0.1029","","","","","","1.252","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063740","8.9613","0.0002","13.7629","0.0004","20.4098","0.0006","78.86","0.002","88.143","0.002","72.84","0.002","2359.03","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Br2 N4 Te -","- C24 H18 Br2 N4 Te -","- C96 H72 Br8 N16 Te4 -","4","2","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.1041","0.0427","","","0.0738","0.1055","","","","","","1.07","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063741","8.468","","8.927","","19.089","","102.77","","96.82","","95.65","","1385.73","","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H18 I4 N4 Te -","- C24 H18 I4 N4 Te -","- C48 H36 I8 N8 Te2 -","2","2","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.0607","0.0585","","","0.1739","0.1747","","","","","","1.177","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063742","31.3486","0.001","4.0959","0.0001","20.1937","0.0007","90","","116.074","0.002","90","","2329","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cl N2 Te -","- C12 H9 Cl N2 Te -","- C96 H72 Cl8 N16 Te8 -","8","1","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.0356","0.0255","","","0.058","0.0631","","","","","","1.059","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063743","18.0833","0.0006","5.0482","0.0003","38.0518","0.0013","90","","90","","90","","3473.7","0.3","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H87 N8 Na3 O33 Te4 -","- C48 H87 N8 Na3 O32.952 Te4 -","- C96 H174 N16 Na6 O65.904 Te8 -","2","0.5","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.0659","0.0412","","","0.0712","0.0754","","","","","","0.872","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063744","13.3187","0.0007","7.7901","0.0004","21.9666","0.0014","90","","104.597","0.006","90","","2205.6","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O Te2 -","- C24 H18 N4 O Te2 -","- C96 H72 N16 O4 Te8 -","4","1","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","1.54184","CuKα","","0.0404","0.0364","","","0.0951","0.0974","","","","","","1.032","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063745","11.3755","0.0002","17.8221","0.0003","12.1544","0.0002","90","","99.4164","0.0017","90","","2430.92","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O2 Te -","- C26 H22 N4 O2 Te -","- C104 H88 N16 O8 Te4 -","4","1","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.0401","0.0267","","","0.0602","0.0639","","","","","","1.038","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063746","10.7072","0.0011","11.0754","0.0012","11.2912","0.0009","74.141","0.008","71.057","0.008","68.848","0.01","1162.5","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 N8 O2 Te2 -","- C54 H42 N8 O2 Te2 -","- C54 H42 N8 O2 Te2 -","1","0.5","","Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J.","Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction","Organometallics","2011","30","3","534","","10.1021/om1009022","","","0.71073","MoKα","","0.1497","0.0945","","","0.2095","0.2331","","","","","","1.093","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063747","14.2503","0.0009","7.9664","0.0005","17.0315","0.0011","90","","105.432","0.002","90","","1863.8","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl N O W -","- C18 H30 Cl N O W -","- C72 H120 Cl4 N4 O4 W4 -","4","1","","Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten","Organometallics","2011","30","4","738","","10.1021/om100909m","","","0.71073","MoKα","","0.0256","0.0204","","","0.0455","0.0471","","","","","","1.03","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063748","9.016","0.0006","16.599","0.0011","14.8412","0.0009","90","","92.248","0.001","90","","2219.4","0.2","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 N O2 W -","- C22 H39 N O2 W -","- C88 H156 N4 O8 W4 -","4","1","","Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten","Organometallics","2011","30","4","738","","10.1021/om100909m","","","0.71073","MoKα","","0.024","0.018","","","0.0397","0.0415","","","","","","1.056","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063749","26.6043","0.0006","29.9393","0.0006","9.1116","0.0002","90","","90","","90","","7257.5","0.3","103","2","103","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H29 N O2 W -","- C18 H29 N O2 W -","- C288 H464 N16 O32 W16 -","16","1","","Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten","Organometallics","2011","30","4","738","","10.1021/om100909m","","","0.71073","MoKα","","0.0164","0.0147","","","0.0335","0.034","","","","","","1.032","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063750","10.6073","0.0012","11.4737","0.0011","15.0284","0.0017","90","","96.675","0.006","90","","1816.6","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 Mo N O -","- C18 H31 Mo N O -","- C72 H124 Mo4 N4 O4 -","4","1","","Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten","Organometallics","2011","30","4","738","","10.1021/om100909m","","","0.71073","MoKα","","0.0407","0.0278","","","0.0641","0.0685","","","","","","1.112","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063751","17.536","0.004","14.112","0.003","18.461","0.004","90","","90","","90","","4568.5","1.7","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H36 Mo N2 O -","- C23 H36 Mo N2 O -","- C184 H288 Mo8 N16 O8 -","8","1","","Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten","Organometallics","2011","30","4","738","","10.1021/om100909m","","","0.71073","MoKα","","0.0995","0.041","","","0.0778","0.0949","","","","","","0.985","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063752","8.0187","0.0012","13.3671","0.0019","13.257","0.002","90","","103.58","0.006","90","","1381.2","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Mo N O -","- C14 H21 Mo N O -","- C56 H84 Mo4 N4 O4 -","4","1","","Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten","Organometallics","2011","30","4","738","","10.1021/om100909m","","","0.71073","MoKα","","0.0202","0.0186","","","0.0487","0.0495","","","","","","1.079","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063753","15.4028","0.0002","17.6693","0.0002","21.523","0.0003","90","","90","","90","","5857.63","0.13","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28.5 H31 Cl Cr N2 O4 P2 -","- C28.5 H31 Cl Cr N2 O4 P2 -","- C228 H248 Cl8 Cr8 N16 O32 P16 -","8","1","","Dulai, Arminderjit; McMullin, Claire L.; Tenza, Kenny; Wass, Duncan F.","N,N′-Bis(diphenylphosphino)diaminophenylphosphine Ligands for Chromium-Catalyzed Selective Ethylene Oligomerization Reactions","Organometallics","2011","30","5","935","","10.1021/om100912y","","x-ray","0.71074","MoKα","","0.0625","0.0404","","","0.091","0.1032","","","","","","1.028","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063754","9.5183","0.0009","26.52","0.002","20.3442","0.0019","90","","115.659","0.006","90","","4629","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 Cl6 Cr N2 O4 P3 -","- C43 H45 Cl6 Cr N2 O4 P3 -","- C172 H180 Cl24 Cr4 N8 O16 P12 -","4","1","","Dulai, Arminderjit; McMullin, Claire L.; Tenza, Kenny; Wass, Duncan F.","N,N′-Bis(diphenylphosphino)diaminophenylphosphine Ligands for Chromium-Catalyzed Selective Ethylene Oligomerization Reactions","Organometallics","2011","30","5","935","","10.1021/om100912y","","","1.54178","CuKα","","0.0566","0.0516","","","0.1325","0.136","","","","","","1.053","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063755","11.5111","0.0006","11.9216","0.0005","15.8448","0.0011","84.922","0.004","76.734","0.005","70.897","0.004","1999.6","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 Cl3 Fe4 N -","- C51 H42 Cl3 Fe4 N -","- C102 H84 Cl6 Fe8 N2 -","2","1","","Hildebrandt, Alexander; Schaarschmidt, Dieter; Lang, Heinrich","Electronically Intercommunicating Iron Centers in Di- and Tetraferrocenyl Pyrroles§","Organometallics","2011","30","3","556","","10.1021/om100914m","","","0.71073","MoKα","","0.0496","0.0325","","","0.0656","0.0677","","","","","","0.912","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063756","13.0972","0.0006","8.7514","0.0004","13.893","0.0007","90","","96.581","0.003","90","","1581.91","0.13","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O3 P V -","- C14 H19 N O3 P V -","- C56 H76 N4 O12 P4 V4 -","4","1","","Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.","Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium","Organometallics","2011","30","6","1382","","10.1021/om100915v","","","0.7107","MoKα","","0.0429","0.0293","","","0.0755","0.0868","","","","","","1.083","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063757","14.6218","0.0017","7.9968","0.0008","21.098","0.002","90","","92.693","0.007","90","","2464.2","0.4","373","2","373","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O3 P V -","- C28 H29 N O3 P V -","- C112 H116 N4 O12 P4 V4 -","4","1","","Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.","Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium","Organometallics","2011","30","6","1382","","10.1021/om100915v","","","0.7107","MoKα","","0.0876","0.055","","","0.1262","0.1432","","","","","","1.027","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063758","18.3014","0.0011","8.5447","0.0006","18.7453","0.0011","90","","116.968","0.003","90","","2612.6","0.3","373","2","373","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 N3 O3 P V -","- C25 H39 N3 O3 P V -","- C100 H156 N12 O12 P4 V4 -","4","1","","Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.","Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium","Organometallics","2011","30","6","1382","","10.1021/om100915v","","","0.7107","MoKα","","0.0703","0.049","","","0.1357","0.1523","","","","","","0.904","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063759","12.202","0.002","10.882","0.002","29.912","0.006","90","","90","","90","","3971.8","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O3 P V -","- C20 H24 N2 O3 P V -","- C160 H192 N16 O24 P8 V8 -","8","1","","Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.","Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium","Organometallics","2011","30","6","1382","","10.1021/om100915v","","","0.7107","MoKα","","0.0517","0.0492","","","0.1071","0.108","","","","","","1.21","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063760","12.935","0.005","10.411","0.004","15.338","0.006","90","","94.67","0.007","90","","2058.7","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N2 O2 P V -","- C19 H24 N2 O2 P V -","- C76 H96 N8 O8 P4 V4 -","4","1","","Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.","Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium","Organometallics","2011","30","6","1382","","10.1021/om100915v","","","0.7107","MoKα","","0.0669","0.0597","","","0.1454","0.15","","","","","","1.052","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063761","12.2647","0.0005","22.7564","0.0009","9.8417","0.0004","90","","117.801","0.002","90","","2429.76","0.18","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H30 N3 O2 P V -","- C26 H30 N3 O2 P V -","- C104 H120 N12 O8 P4 V4 -","4","1","","Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.","Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium","Organometallics","2011","30","6","1382","","10.1021/om100915v","","","0.7107","MoKα","","0.0408","0.0319","","","0.0855","0.1037","","","","","","0.994","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063762","25.3449","0.0017","12.1107","0.0008","19.9733","0.0014","90","","121.802","0.001","90","","5210.3","0.6","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H60 Cl4 Cr3 N4 -","- C54 H60 Cl4 Cr3 N4 -","- C216 H240 Cl16 Cr12 N16 -","4","0.5","","Liu, Zhizhou; Gao, Wei; Liu, Xiaoming; Luo, Xuyang; Cui, Dongmei; Mu, Ying","Pincer Chromium(II) and Chromium(III) Complexes Supported by Bis(imino)aryl NCN ligands: Synthesis and Catalysis on Isoprene Polymerization","Organometallics","2011","30","4","752","","10.1021/om1009236","","","0.71073","MoKα","","0.0556","0.0398","","","0.0929","0.1009","","","","","","1.033","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063763","24.9698","0.0012","13.2003","0.0006","20.3508","0.001","90","","119.396","0.001","90","","5844.2","0.5","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H64 Cl4 Cr3 N4 -","- C63 H62 Cl4 Cr3 N4 -","- C252 H248 Cl16 Cr12 N16 -","4","0.5","","Liu, Zhizhou; Gao, Wei; Liu, Xiaoming; Luo, Xuyang; Cui, Dongmei; Mu, Ying","Pincer Chromium(II) and Chromium(III) Complexes Supported by Bis(imino)aryl NCN ligands: Synthesis and Catalysis on Isoprene Polymerization","Organometallics","2011","30","4","752","","10.1021/om1009236","","","0.71073","MoKα","","0.0948","0.0567","","","0.1393","0.1604","","","","","","1.028","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063764","12.8943","0.001","11.0704","0.0008","32.599","0.003","90","","95.471","0.002","90","","4632.1","0.7","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 Cl2 Cr Li N2 O2 -","- C47 H55 Cl2 Cr Li N2 O2 -","- C188 H220 Cl8 Cr4 Li4 N8 O8 -","4","1","","Liu, Zhizhou; Gao, Wei; Liu, Xiaoming; Luo, Xuyang; Cui, Dongmei; Mu, Ying","Pincer Chromium(II) and Chromium(III) Complexes Supported by Bis(imino)aryl NCN ligands: Synthesis and Catalysis on Isoprene Polymerization","Organometallics","2011","30","4","752","","10.1021/om1009236","","","0.71073","MoKα","","0.1627","0.0848","","","0.2159","0.2596","","","","","","1.035","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063765","8.2397","0.0009","9.8919","0.0011","16.256","0.0018","77.252","0.002","86.119","0.002","87.316","0.002","1288.6","0.2","187","2","187","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 Cl2 Cr N2 O -","- C28 H31 Cl2 Cr N2 O -","- C56 H62 Cl4 Cr2 N4 O2 -","2","1","","Liu, Zhizhou; Gao, Wei; Liu, Xiaoming; Luo, Xuyang; Cui, Dongmei; Mu, Ying","Pincer Chromium(II) and Chromium(III) Complexes Supported by Bis(imino)aryl NCN ligands: Synthesis and Catalysis on Isoprene Polymerization","Organometallics","2011","30","4","752","","10.1021/om1009236","","","0.71073","MoKα","","0.0498","0.0396","","","0.1003","0.1069","","","","","","1.05","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063766","18.866","0.004","10.216","0.002","31.635","0.006","90","","92.74","0.03","90","","6090","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl2 Cr N2 O -","- C32 H39 Cl2 Cr N2 O -","- C256 H312 Cl16 Cr8 N16 O8 -","8","2","","Liu, Zhizhou; Gao, Wei; Liu, Xiaoming; Luo, Xuyang; Cui, Dongmei; Mu, Ying","Pincer Chromium(II) and Chromium(III) Complexes Supported by Bis(imino)aryl NCN ligands: Synthesis and Catalysis on Isoprene Polymerization","Organometallics","2011","30","4","752","","10.1021/om1009236","","","0.71073","MoKα","","0.1141","0.0583","","","0.1181","0.138","","","","","","1.024","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063767","9.3344","0.0005","13.1536","0.0008","16.593","0.001","101.304","0.001","102.059","0.001","94.722","0.001","1937.5","0.2","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H49 Cl4 Cr N2 O -","- C37 H49 Cl4 Cr N2 O -","- C74 H98 Cl8 Cr2 N4 O2 -","2","1","","Liu, Zhizhou; Gao, Wei; Liu, Xiaoming; Luo, Xuyang; Cui, Dongmei; Mu, Ying","Pincer Chromium(II) and Chromium(III) Complexes Supported by Bis(imino)aryl NCN ligands: Synthesis and Catalysis on Isoprene Polymerization","Organometallics","2011","30","4","752","","10.1021/om1009236","","","0.71073","MoKα","","0.0901","0.0584","","","0.1513","0.1728","","","","","","0.99","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063768","17.126","0.005","13.96","0.004","7.617","0.0016","90","","99.069","0.019","90","","1798.3","0.8","295","","295","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","ruthenocene carboxylic anhydride","","- C22 H18 O3 Ru2 -","- C22 H18 O3 Ru2 -","- C88 H72 O12 Ru8 -","4","1","","Micallef, Leanne S.; Loughrey, Bradley T.; Healy, Peter C.; Parsons, Peter G.; Williams, Michael L.","Mono- and 1,1′-Disubstituted Organoruthenium Cyclopentadiene Complexes: Synthesis, Structural Characterization, and Antitumoral Evaluation","Organometallics","2011","30","6","1395","","10.1021/om100928s","","","0.71069","MoKα","","0.0322","0.0257","","","0.0665","0.0711","","","","","","1.12","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063769","10.5949","0.0008","10.6983","0.0009","10.7661","0.0007","83.067","0.005","64.209","0.005","88.796","0.005","1090.04","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 N2 O2 Si2 -","- C10 H22 N2 O2 Si2 -","- C30 H66 N6 O6 Si6 -","3","1.5","","Muhammad, Sohail; Bassindale, Alan R.; Taylor, Peter G.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Study of Binuclear Silicon Complexes of Diketopiperazine at SN2 Reaction Profile","Organometallics","2011","30","3","564","","10.1021/om1009318","","","0.71073","MoKα","","0.1275","0.0828","","","0.1541","0.1782","","","","","","1.098","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063770","6.6235","0.0003","10.3618","0.0003","10.8213","0.0005","90","","94.955","0.002","90","","739.91","0.05","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 F2 N2 O2 Si2 -","- C10 H20 F2 N2 O2 Si2 -","- C20 H40 F4 N4 O4 Si4 -","2","0.5","","Muhammad, Sohail; Bassindale, Alan R.; Taylor, Peter G.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Study of Binuclear Silicon Complexes of Diketopiperazine at SN2 Reaction Profile","Organometallics","2011","30","3","564","","10.1021/om1009318","","","0.71073","MoKα","","0.0447","0.0358","","","0.0881","0.0926","","","","","","1.079","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063771","7.1372","0.0003","9.1258","0.0003","11.9603","0.0004","90","","101.131","0.002","90","","764.35","0.05","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Cl2 N2 O2 Si2 -","- C10 H20 Cl2 N2 O2 Si2 -","- C20 H40 Cl4 N4 O4 Si4 -","2","0.5","","Muhammad, Sohail; Bassindale, Alan R.; Taylor, Peter G.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Study of Binuclear Silicon Complexes of Diketopiperazine at SN2 Reaction Profile","Organometallics","2011","30","3","564","","10.1021/om1009318","","","0.71073","MoKα","","0.0492","0.0342","","","0.0767","0.0835","","","","","","1.029","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063772","6.9918","0.0003","15.4004","0.001","10.3403","0.0007","90","","101.009","0.004","90","","1092.92","0.11","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 F6 N2 O8 S2 Si2 -","- C12 H20 F6 N2 O8 S2 Si2 -","- C24 H40 F12 N4 O16 S4 Si4 -","2","0.5","","Muhammad, Sohail; Bassindale, Alan R.; Taylor, Peter G.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Study of Binuclear Silicon Complexes of Diketopiperazine at SN2 Reaction Profile","Organometallics","2011","30","3","564","","10.1021/om1009318","","","0.71073","MoKα","","0.069","0.0428","","","0.0977","0.112","","","","","","1.059","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063773","7.3571","0.0002","9.7865","0.0003","12.1388","0.0005","90","","101.671","0.002","90","","855.93","0.05","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 I2 N2 O2 Si2 -","- C10 H20 I2 N2 O2 Si2 -","- C20 H40 I4 N4 O4 Si4 -","2","0.5","","Muhammad, Sohail; Bassindale, Alan R.; Taylor, Peter G.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Study of Binuclear Silicon Complexes of Diketopiperazine at SN2 Reaction Profile","Organometallics","2011","30","3","564","","10.1021/om1009318","","","0.71073","MoKα","","0.0286","0.0235","","","0.0491","0.0507","","","","","","1.12","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063774","17.893","0.0009","17.5966","0.0008","18.3564","0.0009","90","","109.04","0.01","90","","5463.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H68 Cl4 O5 P6 Ru2 -","- C39 H68 Cl4 O5 P6 Ru2 -","- C156 H272 Cl16 O20 P24 Ru8 -","4","1","","Li, Fei; Cheng, Jie; Chai, Xiaohong; Jin, Shan; Wu, Xianghua; Yu, Guang-Ao; Liu, Sheng Hua; Chen, George Z.","Synthesis, Characterization, and Electrochemical Properties of Diruthenium Complexes Bridged by Anthraquinones","Organometallics","2011","30","7","1830","","10.1021/om100932u","","","0.71073","MoKα","","0.0855","0.0636","","","0.1412","0.1519","","","","","","1.127","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063775","11.6537","0.0014","13.304","0.0015","19.243","0.0017","90","","112.846","0.005","90","","2749.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64 Cl2 O4 P6 Ru2 -","- C38 H64 Cl2 O4 P6 Ru2 -","- C76 H128 Cl4 O8 P12 Ru4 -","2","0.5","","Li, Fei; Cheng, Jie; Chai, Xiaohong; Jin, Shan; Wu, Xianghua; Yu, Guang-Ao; Liu, Sheng Hua; Chen, George Z.","Synthesis, Characterization, and Electrochemical Properties of Diruthenium Complexes Bridged by Anthraquinones","Organometallics","2011","30","7","1830","","10.1021/om100932u","","","0.71073","MoKα","","0.0704","0.0527","","","0.1112","0.1175","","","","","","1.082","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063776","17.187","0.003","15.177","0.003","19.291","0.004","90","","107.76","0.03","90","","4792.2","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 Ca I N3 O4 -","- C46 H70 Ca I N3 O4 -","- C184 H280 Ca4 I4 N12 O16 -","4","1","","Jenter, Jelena; Köppe, Ralf; Roesky, Peter W.","2,5-Bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrolyl Complexes of the Heavy Alkaline Earth Metals: Synthesis, Structures, and Hydroamination Catalysis","Organometallics","2011","30","6","1404","","10.1021/om100937c","","","0.71073","MoKα","","0.1154","0.0729","","","0.1762","0.1963","","","","","","0.986","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063777","15.253","0.003","31.967","0.006","11.33","0.002","90","","107.95","0.03","90","","5255.5","1.9","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 I N3 O5 Sr -","- C50 H78 I N3 O5 Sr -","- C200 H312 I4 N12 O20 Sr4 -","4","1","","Jenter, Jelena; Köppe, Ralf; Roesky, Peter W.","2,5-Bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrolyl Complexes of the Heavy Alkaline Earth Metals: Synthesis, Structures, and Hydroamination Catalysis","Organometallics","2011","30","6","1404","","10.1021/om100937c","","","0.71073","MoKα","","0.159","0.0885","","","0.2006","0.235","","","","","","0.933","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063778","10.979","0.002","31.676","0.006","15.769","0.003","90","","109.07","0.03","90","","5183","1.9","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H78 Ba I N3 O5 -","- C50 H78 Ba I N3 O5 -","- C200 H312 Ba4 I4 N12 O20 -","4","2","","Jenter, Jelena; Köppe, Ralf; Roesky, Peter W.","2,5-Bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrolyl Complexes of the Heavy Alkaline Earth Metals: Synthesis, Structures, and Hydroamination Catalysis","Organometallics","2011","30","6","1404","","10.1021/om100937c","","","0.71073","MoKα","","0.0428","0.0397","","","0.0979","0.0992","","","","","","1.01","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063779","16.426","0.003","10.568","0.002","29.727","0.006","90","","97.67","0.03","90","","5114.1","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 Ca N4 O3 Si2 -","- C48 H80 Ca N4 O3 Si2 -","- C192 H320 Ca4 N16 O12 Si8 -","4","1","","Jenter, Jelena; Köppe, Ralf; Roesky, Peter W.","2,5-Bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrolyl Complexes of the Heavy Alkaline Earth Metals: Synthesis, Structures, and Hydroamination Catalysis","Organometallics","2011","30","6","1404","","10.1021/om100937c","","","0.71073","MoKα","","0.1277","0.0689","","","0.1548","0.179","","","","","","0.97","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063780","16.605","0.003","10.727","0.002","29.874","0.006","90","","96.87","0.03","90","","5283","1.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 N4 O3 Si2 Sr -","- C48 H80 N4 O3 Si2 Sr -","- C192 H320 N16 O12 Si8 Sr4 -","4","1","","Jenter, Jelena; Köppe, Ralf; Roesky, Peter W.","2,5-Bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrolyl Complexes of the Heavy Alkaline Earth Metals: Synthesis, Structures, and Hydroamination Catalysis","Organometallics","2011","30","6","1404","","10.1021/om100937c","","","0.71073","MoKα","","0.0896","0.0653","","","0.1456","0.1564","","","","","","1.057","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063781","24.3451","0.0008","15.1152","0.0005","19.3179","0.0006","90","","97.289","0.001","90","","7051.2","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H90 N3 O2 P2 Y -","- C77 H90 N3 O2 P2 Y -","- C308 H360 N12 O8 P8 Y4 -","4","1","","Wang, Lingfang; Cui, Dongmei; Hou, Zhaomin; Li, Wei; Li, Yang","Highly Cis-1,4-Selective Living Polymerization of 1,3-Conjugated Dienes and Copolymerization with ε-Caprolactone by Bis(phosphino)carbazolide Rare-Earth-Metal Complexes","Organometallics","2011","30","4","760","","10.1021/om1009395","","","0.71073","MoKα","","0.0815","0.0544","","","0.1477","0.1658","","","","","","1.043","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063782","15.7687","0.0015","15.769","0.002","19.401","0.002","90","","90","0.3","90","","4824.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N6 O10 Pd2 -","- C48 H50 N6 O10 Pd2 -","- C192 H200 N24 O40 Pd8 -","4","1","","Gopi, Kanniyappan; Thirupathi, Natesan; Nethaji, Munirathinam","Synthesis, Reactivity, Structural Aspects, and Solution Dynamics of Cyclopalladated Compounds ofN,N′,N′′-Tris(2-anisyl)guanidine","Organometallics","2011","30","3","572","","10.1021/om1009445","","","0.71073","MoKα","","0.0833","0.0453","","","0.1295","0.1693","","","","","","0.768","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063783","20.5592","0.0016","13.8844","0.0011","21.5284","0.0017","90","","108.011","0.001","90","","5844.2","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cl6 F6 N6 O10 Pd2 -","- C50 H46 Cl6 F6 N6 O10 Pd2 -","- C200 H184 Cl24 F24 N24 O40 Pd8 -","4","0.5","","Gopi, Kanniyappan; Thirupathi, Natesan; Nethaji, Munirathinam","Synthesis, Reactivity, Structural Aspects, and Solution Dynamics of Cyclopalladated Compounds ofN,N′,N′′-Tris(2-anisyl)guanidine","Organometallics","2011","30","3","572","","10.1021/om1009445","","","0.71073","MoKα","","0.0455","0.0396","","","0.1158","0.1254","","","","","","0.7","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4063784","10.432","0.005","10.795","0.005","22.836","0.01","90","","96.078","0.007","90","","2557","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Br2 N6 O8 Pd2 -","- C50 H56 Br2 N6 O8 Pd2 -","- C100 H112 Br4 N12 O16 Pd4 -","2","0.5","","Gopi, Kanniyappan; Thirupathi, Natesan; Nethaji, Munirathinam","Synthesis, Reactivity, Structural Aspects, and Solution Dynamics of Cyclopalladated Compounds ofN,N′,N′′-Tris(2-anisyl)guanidine","Organometallics","2011","30","3","572","","10.1021/om1009445","","","0.71073","MoKα","","0.0651","0.0445","","","0.1094","0.1224","","","","","","0.932","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063785","17.8356","0.0013","15.0915","0.0011","21.1603","0.0016","90","","90.654","0.002","90","","5695.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Br N4 O3 Pd -","- C29 H31 Br N4 O3 Pd -","- C232 H248 Br8 N32 O24 Pd8 -","8","2","","Gopi, Kanniyappan; Thirupathi, Natesan; Nethaji, Munirathinam","Synthesis, Reactivity, Structural Aspects, and Solution Dynamics of Cyclopalladated Compounds ofN,N′,N′′-Tris(2-anisyl)guanidine","Organometallics","2011","30","3","572","","10.1021/om1009445","","","0.71073","MoKα","","0.1187","0.0616","","","0.0942","0.1091","","","","","","1.118","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063786","10.4074","0.0007","15.0919","0.001","18.0657","0.0012","90","","95.409","0.001","90","","2824.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Br N4 O3 Pd -","- C29 H31 Br N4 O3 Pd -","- C116 H124 Br4 N16 O12 Pd4 -","4","1","","Gopi, Kanniyappan; Thirupathi, Natesan; Nethaji, Munirathinam","Synthesis, Reactivity, Structural Aspects, and Solution Dynamics of Cyclopalladated Compounds ofN,N′,N′′-Tris(2-anisyl)guanidine","Organometallics","2011","30","3","572","","10.1021/om1009445","","","0.71073","MoKα","","0.0644","0.0471","","","0.1027","0.1103","","","","","","1.111","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063787","10.268","0.004","14.844","0.007","21.449","0.009","90","","94.897","0.012","90","","3257","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Br Cl2 N4 O3 Pd -","- C32 H33 Br Cl2 N4 O3 Pd -","- C128 H132 Br4 Cl8 N16 O12 Pd4 -","4","1","","Gopi, Kanniyappan; Thirupathi, Natesan; Nethaji, Munirathinam","Synthesis, Reactivity, Structural Aspects, and Solution Dynamics of Cyclopalladated Compounds ofN,N′,N′′-Tris(2-anisyl)guanidine","Organometallics","2011","30","3","572","","10.1021/om1009445","","","0.71073","MoKα","","0.1982","0.0746","","","0.2082","0.2727","","","","","","0.784","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063788","11.0241","0.0003","22.6339","0.0007","16.1571","0.0005","90","","108.578","0.001","90","","3821.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Br N5 O3 Pd -","- C40 H40 Br N5 O3 Pd -","- C160 H160 Br4 N20 O12 Pd4 -","4","1","","Gopi, Kanniyappan; Thirupathi, Natesan; Nethaji, Munirathinam","Synthesis, Reactivity, Structural Aspects, and Solution Dynamics of Cyclopalladated Compounds ofN,N′,N′′-Tris(2-anisyl)guanidine","Organometallics","2011","30","3","572","","10.1021/om1009445","","","0.71073","MoKα","","0.0847","0.0393","","","0.0996","0.138","","","","","","1.072","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063789","9.9272","0.0002","14.8544","0.0005","10.7168","0.0003","90","","104.707","0.002","90","","1528.55","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H40 Cl N2 O P Pd -","- C32 H40 Cl N2 O P Pd -","- C64 H80 Cl2 N4 O2 P2 Pd2 -","2","1","","Ayora, Isabel; Ceder, Rosa M.; Espinel, Mauricio; Muller, Guillermo; Rocamora, Mercè; Serrano, Marta","Modular Approach to New Chiral Monodentate Diamidophosphite Ligands. Application in Palladium-Catalyzed Asymmetric Hydrovinylation of Styrene","Organometallics","2011","30","1","115","","10.1021/om100946a","","","0.71073","MoKα","","0.0333","0.0293","","","0.0609","0.0629","","","","","","1.032","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063790","43.1899","0.0016","12.6185","0.0005","25.9395","0.001","90","","117.385","0.001","90","","12552.6","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","IIIA042","IIIA042","","- C131 H114 B2 F48 P2 Rh2 -","- C131 H114 B2 F48 P2 Rh2 -","- C524 H456 B8 F192 P8 Rh8 -","4","1","","O’Connor, Abby R.; Kaminsky, Werner; Heinekey, D. Michael; Goldberg, Karen I.","Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium Complexes","Organometallics","2011","30","8","2105","","10.1021/om1009473","","","0.71073","MoKα","","0.0526","0.0413","","","0.0949","0.1008","","","","","","1.02","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063791","36.1427","0.0011","13.1127","0.0004","25.4551","0.0008","90","","97.883","0.002","90","","11949.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H55 B F24 P Rh -","- C64 H55 B F24 P Rh -","- C512 H440 B8 F192 P8 Rh8 -","8","1","","O’Connor, Abby R.; Kaminsky, Werner; Heinekey, D. Michael; Goldberg, Karen I.","Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium Complexes","Organometallics","2011","30","8","2105","","10.1021/om1009473","","","0.71073","MoKα","","0.0923","0.0494","","","0.1024","0.1178","","","","","","1.008","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063792","12.3548","0.0007","16.0451","0.001","16.3743","0.0016","114.01","0.005","99.427","0.005","103.365","0.003","2760.7","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","IIIA0231_2","IIIA0231_2","","- C112 H86 B2 F48 P2 Rh2 -","- C112 H86 B2 F48 P2 Rh2 -","- C112 H86 B2 F48 P2 Rh2 -","1","0.5","","O’Connor, Abby R.; Kaminsky, Werner; Heinekey, D. Michael; Goldberg, Karen I.","Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium Complexes","Organometallics","2011","30","8","2105","","10.1021/om1009473","","","0.71073","MoKα","","0.1073","0.0646","","","0.1529","0.177","","","","","","1.049","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063793","13.1012","0.0005","13.1289","0.0005","20.0938","0.0008","101.957","0.002","94.77","0.002","95.252","0.002","3348.5","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","IIIA0231","IIIA0231","","- C66 H61 B Cl4 F24 P Rh -","- C66 H61 B Cl4 F24 P Rh -","- C132 H122 B2 Cl8 F48 P2 Rh2 -","2","1","","O’Connor, Abby R.; Kaminsky, Werner; Heinekey, D. Michael; Goldberg, Karen I.","Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium Complexes","Organometallics","2011","30","8","2105","","10.1021/om1009473","","","0.71073","MoKα","","0.148","0.135","","","0.3351","0.3462","","","","","","0.989","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063794","16.3424","0.0002","15.5018","0.0002","21.9422","0.0003","90","","90","","90","","5558.76","0.12","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H39 Fe P -","- C34 H39 Fe P -","- C272 H312 Fe8 P8 -","8","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.0778","0.0481","","","0.1184","0.1324","","","","","","1.034","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063795","49.283","0.003","49.283","0.003","12.846","0.0005","90","","90","","120","","27020","3","223","2","223","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C53 H41 B Cl2 F15 Fe P -","- C53 H41 B Cl2 F15 Fe P -","- C954 H738 B18 Cl36 F270 Fe18 P18 -","18","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.2002","0.1201","","","0.3184","0.3448","","","","","","1.903","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063796","9.5446","0.0001","33.945","0.0005","11.4541","0.0002","90","","96.793","0.001","90","","3684.98","0.09","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 B Cl2 F15 Fe N -","- C39 H29 B Cl2 F15 Fe N -","- C156 H116 B4 Cl8 F60 Fe4 N4 -","4","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.0721","0.0608","","","0.1628","0.1731","","","","","","1.028","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063797","15.6074","0.0004","15.1336","0.0004","12.8467","0.0003","90","","97.13","0.001","90","","3010.88","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Fe P -","- C36 H41 Fe P -","- C144 H164 Fe4 P4 -","4","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.0679","0.0464","","","0.1264","0.1427","","","","","","1.027","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063798","21.7628","0.0003","28.5866","0.0006","19.1647","0.0004","90","","109.2","0.002","90","","11259.6","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H41 B F15 Fe P -","- C54 H41 B F15 Fe P -","- C432 H328 B8 F120 Fe8 P8 -","8","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.1243","0.0894","","","0.2113","0.2367","","","","","","1.042","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063799","14.9835","0.0004","8.5481","0.0001","14.0395","0.0002","90","","101.73","0.001","90","","1760.63","0.06","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Fe N O2 -","- C20 H25 Fe N O2 -","- C80 H100 Fe4 N4 O8 -","4","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.0609","0.0367","","","0.0865","0.0953","","","","","","1.027","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063800","9.8624","0.0002","14.0863","0.0003","11.955","0.0003","90","","102.213","0.001","90","","1623.26","0.06","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Fe N O -","- C19 H23 Fe N O -","- C76 H92 Fe4 N4 O4 -","4","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.1261","0.0484","","","0.1072","0.1786","","","","","","1.095","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063801","9.9695","0.0005","11.1347","0.0005","13.568","0.0006","86.386","0.002","75.787","0.002","80.391","0.003","1439.18","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H39 Fe O P -","- C35 H39 Fe O P -","- C70 H78 Fe2 O2 P2 -","2","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.0662","0.0437","","","0.1026","0.1131","","","","","","1.032","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063802","17.8991","0.0004","9.0917","0.0002","14.4468","0.0003","90","","90","","90","","2350.97","0.09","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,6-Dimethylpiperidinium tris(perfluorophenyl)borohydride","","- C25 H15 B F15 N -","- C25 H15 B F15 N -","- C100 H60 B4 F60 N4 -","4","1","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Heterolytic Cleavage of H2by Frustrated B/N Lewis Pairs","Organometallics","2011","30","8","2117","","10.1021/om100951a","","","0.71073","MoKα","","0.0567","0.0431","","","0.1027","0.1172","","","","","","1.038","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063803","12.3238","0.0002","16.616","0.0002","15.7963","0.0002","90","","107.804","0.002","90","","3079.73","0.08","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2-Dimethylpiperidinium tris(pentafluorophenyl)hydroborate benzene toluene solvates","","- C63 H48 B2 F30 N2 -","- C63 H48 B2 F30 N2 -","- C126 H96 B4 F60 N4 -","2","0.5","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Heterolytic Cleavage of H2by Frustrated B/N Lewis Pairs","Organometallics","2011","30","8","2117","","10.1021/om100951a","","","0.71073","MoKα","","0.0859","0.0632","","","0.1755","0.1882","","","","","","1.044","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063804","10.7424","0.0001","11.2219","0.0001","13.6153","0.0001","81.196","0.001","72.844","0.001","63.415","0.001","1402.06","0.03","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","1,2,2,6,6-pentamethylpiperidinium tris(pentafluorophenyl)hydroborate","","- C28 H23 B F15 N -","- C28 H23 B F15 N -","- C56 H46 B2 F30 N2 -","2","1","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Heterolytic Cleavage of H2by Frustrated B/N Lewis Pairs","Organometallics","2011","30","8","2117","","10.1021/om100951a","","","0.71073","MoKα","","0.0598","0.0396","","","0.1049","0.1098","","","","","","1.067","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063805","10.2209","0.0006","15.4745","0.0006","10.1157","0.0006","90","","114.872","0.007","90","","1451.54","0.16","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Ethyl-2,2,6,6-pentamethylpiperidinium","","- C29 H25 B F15 N -","- C29 H25 B F15 N -","- C58 H50 B2 F30 N2 -","2","1","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Heterolytic Cleavage of H2by Frustrated B/N Lewis Pairs","Organometallics","2011","30","8","2117","","10.1021/om100951a","","","0.71073","MoKα","","0.0387","0.0356","","","0.1002","0.1018","","","","","","1.07","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063806","23.0895","0.0003","11.0393","0.0002","21.5309","0.0003","90","","90.593","0.001","90","","5487.76","0.14","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,2,6,6-tetramethylpiperidinium)-2-[tris(pentafluorophenyl)boryl]ethane","","- C29 H21 B F15 N -","- C29 H21 B F15 N -","- C232 H168 B8 F120 N8 -","8","1","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Heterolytic Cleavage of H2by Frustrated B/N Lewis Pairs","Organometallics","2011","30","8","2117","","10.1021/om100951a","","","0.71073","MoKα","","0.063","0.046","","","0.1254","0.1314","","","","","","1.105","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063807","23.207","0.002","15.4043","0.0011","17.1281","0.0017","90","","124.2","0.002","90","","5064.3","0.8","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 N3 Ru -","- C29 H33 N3 Ru -","- C232 H264 N24 Ru8 -","8","1","","Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H.","Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0)","Organometallics","2011","30","8","2125","","10.1021/om100953g","","","0.71073","MoKα","","0.0397","0.0341","","","0.0752","0.0797","","","","","","1.103","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063808","14.8934","0.0012","17.787","0.0012","20.7522","0.0016","90","","108.039","0.002","90","","5227.2","0.7","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C131 H126 N6 Ru2 -","- C131 H126 N6 Ru2 -","- C262 H252 N12 Ru4 -","2","0.5","","Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H.","Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0)","Organometallics","2011","30","8","2125","","10.1021/om100953g","","","0.71069","MoKα","","0.0511","0.0412","","","0.0979","0.107","","","","","","1.086","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063809","11.7542","0.0016","14.758","0.002","15.939","0.002","93.045","0.004","93.861","0.003","105.206","0.003","2654.9","0.6","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C112 H102 N6 O2 Ru2 -","- C112 H102 N6 O2 Ru2 -","- C112 H102 N6 O2 Ru2 -","1","0.5","","Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H.","Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0)","Organometallics","2011","30","8","2125","","10.1021/om100953g","","","0.71069","MoKα","","0.0551","0.0471","","","0.1251","0.1317","","","","","","1.082","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063810","38.064","0.008","12.0755","0.0018","27.296","0.006","90","","126.312","0.006","90","","10110","4","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H53 N3 Ru -","- C57 H53 N3 Ru -","- C456 H424 N24 Ru8 -","8","1","","Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H.","Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0)","Organometallics","2011","30","8","2125","","10.1021/om100953g","","","0.71069","MoKα","","0.1425","0.0957","","","0.2404","0.2787","","","","","","1.004","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063811","13.5498","0.0006","14.7146","0.0007","24.6258","0.0012","90","","100.683","0.001","90","","4824.8","0.4","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H57 N3 Ru -","- C63 H57 N3 Ru -","- C252 H228 N12 Ru4 -","4","1","","Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H.","Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0)","Organometallics","2011","30","8","2125","","10.1021/om100953g","","","0.71073","MoKα","","0.0528","0.0426","","","0.0969","0.1051","","","","","","1.073","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063812","16.979","0.007","17.446","0.005","21.989","0.006","90","","90","","90","","6513","4","143","1","143","1","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C29 H33 Cl2 N3 Ru -","- C29 H33 Cl2 N3 Ru -","- C232 H264 Cl16 N24 Ru8 -","8","","","Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H.","Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0)","Organometallics","2011","30","8","2125","","10.1021/om100953g","","","0.71073","MoKα","","0.0439","0.0412","","","0.1068","0.1104","","","","","","1.139","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063813","8.2749","0.0001","14.7099","0.0001","31.2056","0.0002","90","","90","","90","","3798.44","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 Cl2 N4 O4 Pt -","- C38 H48 Cl2 N4 O4 Pt -","- C152 H192 Cl8 N16 O16 Pt4 -","4","1","","Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Highly Stereoselective 1,3-Dipolar Cycloaddition of Nitrones to (Nitrile)2PtIISpecies Furnishing Diastereomerically Pure 2,3-Dihydro-1,2,4-oxadiazole Ligands","Organometallics","2011","30","3","595","","10.1021/om100957b","","","0.71073","MoKα","","0.034","0.0279","","","0.0495","0.0512","","","","","","1.057","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063814","7.3948","0.0001","16.1571","0.0003","29.4684","0.0006","90","","90","","90","","3520.84","0.11","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl2 N4 O4 Pt -","- C32 H52 Cl2 N4 O4 Pt -","- C128 H208 Cl8 N16 O16 Pt4 -","4","1","","Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Highly Stereoselective 1,3-Dipolar Cycloaddition of Nitrones to (Nitrile)2PtIISpecies Furnishing Diastereomerically Pure 2,3-Dihydro-1,2,4-oxadiazole Ligands","Organometallics","2011","30","3","595","","10.1021/om100957b","","","0.71069","MoKα","","0.0411","0.0287","","","0.0453","0.0481","","","","","","1.019","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063815","11.8983","0.0002","11.6015","0.0001","15.6181","0.0002","90","","96.614","0.006","90","","2141.55","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H53 Cl5 N4 O4 Pt -","- C41 H53 Cl5 N4 O4 Pt -","- C82 H106 Cl10 N8 O8 Pt2 -","2","1","","Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Highly Stereoselective 1,3-Dipolar Cycloaddition of Nitrones to (Nitrile)2PtIISpecies Furnishing Diastereomerically Pure 2,3-Dihydro-1,2,4-oxadiazole Ligands","Organometallics","2011","30","3","595","","10.1021/om100957b","","","0.71073","MoKα","","0.0216","0.0177","","","0.0347","0.0359","","","","","","0.962","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063816","10.9605","0.0002","11.9222","0.0002","29.9856","0.0006","90","","90","","90","","3918.32","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H60 Cl2 N6 O5 Pt -","- C35 H60 Cl2 N6 O5 Pt -","- C140 H240 Cl8 N24 O20 Pt4 -","4","1","","Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Highly Stereoselective 1,3-Dipolar Cycloaddition of Nitrones to (Nitrile)2PtIISpecies Furnishing Diastereomerically Pure 2,3-Dihydro-1,2,4-oxadiazole Ligands","Organometallics","2011","30","3","595","","10.1021/om100957b","","","0.71073","MoKα","","0.0375","0.0277","","","0.0431","0.0454","","","","","","1.025","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063817","9.3941","0.0007","19.1453","0.0014","14.2404","0.0011","90","","90.387","0.002","90","","2561.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Cr N2 -","- C29 H36 Cr N2 -","- C116 H144 Cr4 N8 -","4","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0434","0.0359","","","0.0898","0.0953","","","","","","1.059","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063818","11.2517","0.0013","18.1157","0.0018","13.3532","0.0013","90","","112.43","0.004","90","","2515.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cr N2 -","- C28 H34 Cr N2 -","- C112 H136 Cr4 N8 -","4","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0591","0.0407","","","0.1066","0.1174","","","","","","1.044","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063819","11.7438","0.0011","16.9018","0.0014","14.9717","0.0013","90","","110.53","0.004","90","","2783","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Cr I N2 O -","- C29 H36 Cr I N2 O -","- C116 H144 Cr4 I4 N8 O4 -","4","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0321","0.0251","","","0.0648","0.0712","","","","","","0.792","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063820","10.6796","0.001","11.1452","0.0009","12.5877","0.0011","101.817","0.004","109.367","0.004","94.167","0.004","1367.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Cr I N2 -","- C29 H36 Cr I N2 -","- C58 H72 Cr2 I2 N4 -","2","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0293","0.0235","","","0.0543","0.0567","","","","","","1.067","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063821","9.3251","0.0002","9.8141","0.0003","14.6976","0.0004","80.786","0.001","82.742","0.001","86.455","0.001","1315.9","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 Cr N2 O -","- C30 H39 Cr N2 O -","- C60 H78 Cr2 N4 O2 -","2","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0386","0.0316","","","0.0765","0.0818","","","","","","1.054","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063822","8.5493","0.001","17.5673","0.0016","35.282","0.003","90","","90","","90","","5298.9","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H39 Cr N2 -","- C30 H39 Cr N2 -","- C240 H312 Cr8 N16 -","8","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0529","0.0369","","","0.0895","0.0968","","","","","","1.035","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063823","10.661","0.0011","19.481","0.0018","24.251","0.003","90","","90","","90","","5036.6","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Cr N2 -","- C29 H37 Cr N2 -","- C232 H296 Cr8 N16 -","8","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.052","0.0361","","","0.0929","0.1038","","","","","","1.036","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063824","9.3223","0.0016","9.7973","0.0019","15.129","0.003","80.996","0.007","80.608","0.007","86.496","0.007","1345.6","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cr F3 N2 -","- C30 H36 Cr F3 N2 -","- C60 H72 Cr2 F6 N4 -","2","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0674","0.0528","","","0.1433","0.1622","","","","","","1.063","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063825","20.603","0.003","20.603","","11.6729","0.0019","90","","90","","120","","4291.1","0.9","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C29 H36 Cl Cr N2 O -","- C29 H36 Cl Cr N2 O -","- C174 H216 Cl6 Cr6 N12 O6 -","6","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0474","0.0328","","","0.086","0.0909","","","","","","1.066","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063826","15.4866","0.0015","9.7132","0.0009","17.9884","0.0018","90","","90.428","0.004","90","","2705.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Cl Cr N2 -","- C29 H36 Cl Cr N2 -","- C116 H144 Cl4 Cr4 N8 -","4","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0785","0.0486","","","0.122","0.1356","","","","","","1.091","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063827","10.5875","0.0018","19.271","0.003","24.113","0.004","90","","90","","90","","4919.8","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H34 Cl Cr N2 -","- C28 H34 Cl Cr N2 -","- C224 H272 Cl8 Cr8 N16 -","8","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0376","0.03","","","0.0772","0.0833","","","","","","1.065","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063828","12.2431","0.0014","9.8444","0.0011","22.431","0.002","90","","91.349","0.004","90","","2702.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 Cl Cr F3 N2 -","- C29 H33 Cl Cr F3 N2 -","- C116 H132 Cl4 Cr4 F12 N8 -","4","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0727","0.0418","","","0.0895","0.1031","","","","","","1.013","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063829","10.7134","0.0001","22.2774","0.0003","13.2353","0.0002","90","","113.096","0.001","90","","2905.64","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 Ir N O S -","- C31 H42 Ir N O S -","- C124 H168 Ir4 N4 O4 S4 -","4","1","","Hübner, Ralph; Weber, Sebastian; Strobel, Sabine; Sarkar, Biprajit; Záliš, Stanislav; Kaim, Wolfgang","Reversible Intramolecular Single-Electron Oxidative Addition Involving a Hemilabile Noninnocent Ligand","Organometallics","2011","30","6","1414","","10.1021/om100969q","","","0.71073","MoKα","","0.0397","0.0255","","","0.0484","0.0512","","","","","","1.039","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063830","9.6785","0.0001","11.666","0.0004","31.0905","0.0017","90","","96.01","","90","","3491.1","0.2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cl2 F6 Ir N O P S -","- C32 H44 Cl2 F6 Ir N O P S -","- C128 H176 Cl8 F24 Ir4 N4 O4 P4 S4 -","4","1","","Hübner, Ralph; Weber, Sebastian; Strobel, Sabine; Sarkar, Biprajit; Záliš, Stanislav; Kaim, Wolfgang","Reversible Intramolecular Single-Electron Oxidative Addition Involving a Hemilabile Noninnocent Ligand","Organometallics","2011","30","6","1414","","10.1021/om100969q","","","0.71073","MoKα","","0.0882","0.0469","","","0.0982","0.1096","","","","","","0.986","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063831","18.837","0.003","12.872","0.002","38.991","0.006","90","","90","","90","","9454","3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 N2 O Si3 Y -","- C42 H77 N2 O Si3 Y -","- C336 H616 N16 O8 Si24 Y8 -","8","1","","Du, Gaixia; Wei, Yanling; Ai, Lin; Chen, Yuanyuan; Xu, Qi; Liu, Xiao; Zhang, Shaowen; Hou, Zhaomin; Li, Xiaofang","Living 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Complexes Bearing Iminoamido Ligands","Organometallics","2011","30","1","160","","10.1021/om100971d","","","0.71073","MoKα","","0.087","0.0693","","","0.1743","0.1816","","","","","","1.164","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063832","40.5382","0.0015","11.2364","0.0004","17.7874","0.0007","90","","99.631","0.001","90","","7988","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H61 Lu N2 O Si3 -","- C34 H61 Lu N2 O Si3 -","- C272 H488 Lu8 N16 O8 Si24 -","8","1","","Du, Gaixia; Wei, Yanling; Ai, Lin; Chen, Yuanyuan; Xu, Qi; Liu, Xiao; Zhang, Shaowen; Hou, Zhaomin; Li, Xiaofang","Living 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Complexes Bearing Iminoamido Ligands","Organometallics","2011","30","1","160","","10.1021/om100971d","","","0.71073","MoKα","","0.032","0.0252","","","0.0621","0.0669","","","","","","1.03","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063833","40.331","0.002","11.3143","0.0007","17.8481","0.0011","90","","99.787","0.001","90","","8025.9","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H61 N2 O Si3 Y -","- C34 H61 N2 O Si3 Y -","- C272 H488 N16 O8 Si24 Y8 -","8","1","","Du, Gaixia; Wei, Yanling; Ai, Lin; Chen, Yuanyuan; Xu, Qi; Liu, Xiao; Zhang, Shaowen; Hou, Zhaomin; Li, Xiaofang","Living 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Complexes Bearing Iminoamido Ligands","Organometallics","2011","30","1","160","","10.1021/om100971d","","","0.71073","MoKα","","0.0488","0.0332","","","0.0754","0.0815","","","","","","1.023","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063834","40.728","0.002","11.1312","0.0006","17.6302","0.001","90","","99.568","0.001","90","","7881.5","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H61 N2 O Sc Si3 -","- C34 H61 N2 O Sc Si3 -","- C272 H488 N16 O8 Sc8 Si24 -","8","1","","Du, Gaixia; Wei, Yanling; Ai, Lin; Chen, Yuanyuan; Xu, Qi; Liu, Xiao; Zhang, Shaowen; Hou, Zhaomin; Li, Xiaofang","Living 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Complexes Bearing Iminoamido Ligands","Organometallics","2011","30","1","160","","10.1021/om100971d","","","0.71073","MoKα","","0.0539","0.0404","","","0.098","0.1075","","","","","","1.014","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063835","13.1182","0.001","15.2757","0.0012","18.8978","0.0015","86.07","0.001","75.175","0.001","73.201","0.001","3504.6","0.5","123","","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H74 P6 Pt3 Si2 -","- C78 H74 P6 Pt3 Si2 -","- C156 H148 P12 Pt6 Si4 -","2","1","","Arii, Hidekazu; Takahashi, Makiko; Nanjo, Masato; Mochida, Kunio","Polyhedral and Spiro Platinum−Silyl Clusters Bearing Phosphine Ligands","Organometallics","2011","30","4","917","","10.1021/om100976v","","","0.71073","MoKα","","0.0527","0.0359","","","0.0763","0.0827","","","","","","1.023","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063836","52.995","0.005","15.6673","0.0014","25.233","0.002","90","","92.463","0.001","90","","20931","3","123","","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H92 P6 Pt3 Si2 -","- C108 H92 P6 Pt3 Si2 -","- C864 H736 P48 Pt24 Si16 -","8","1","","Arii, Hidekazu; Takahashi, Makiko; Nanjo, Masato; Mochida, Kunio","Polyhedral and Spiro Platinum−Silyl Clusters Bearing Phosphine Ligands","Organometallics","2011","30","4","917","","10.1021/om100976v","","","0.71073","MoKα","","0.0397","0.0322","","","0.1175","0.1231","","","","","","1.091","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063837","19.3177","0.0017","19.3177","0.0017","17.1015","0.0015","90","","90","","90","","6381.8","1","123","","123","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C132 H130 P8 Pt4 Si2 -","- C132 H130 P8 Pt4 Si2 -","- C264 H260 P16 Pt8 Si4 -","2","0.25","","Arii, Hidekazu; Takahashi, Makiko; Nanjo, Masato; Mochida, Kunio","Polyhedral and Spiro Platinum−Silyl Clusters Bearing Phosphine Ligands","Organometallics","2011","30","4","917","","10.1021/om100976v","","","0.71073","MoKα","","0.0621","0.0483","","","0.1576","0.1704","","","","","","1.089","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063838","18.399","0.0014","14.3441","0.0011","19.3468","0.0014","90","","93.294","0.001","90","","5097.5","0.7","123","","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C111 H104 P8 Pt4 Si -","- C107.5 H98.5 P8 Pt4 Si -","- C215 H197 P16 Pt8 Si2 -","2","0.5","","Arii, Hidekazu; Takahashi, Makiko; Nanjo, Masato; Mochida, Kunio","Polyhedral and Spiro Platinum−Silyl Clusters Bearing Phosphine Ligands","Organometallics","2011","30","4","917","","10.1021/om100976v","","","0.71073","MoKα","","0.03","0.0261","","","0.0842","0.0868","","","","","","1.085","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063839","8.497","0.0017","26.976","0.005","41.646","0.008","90","","90","","90","","9546","3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ge2Si3Mes6","","- C54 H66 Ge2 Si3 -","- C54 H66 Ge2 Si3 -","- C432 H528 Ge16 Si24 -","8","1","","Nied, Dominik; Oña-Burgos, Pascual; Klopper, Wim; Breher, Frank","Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements","Organometallics","2011","30","6","1419","","10.1021/om100977z","","","0.71073","MoKα","","0.0804","0.0617","","","0.1314","0.1417","","","","","","1.13","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063840","8.551","0.0017","27.169","0.005","42.266","0.009","90","","90","","90","","9819","3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Sn2Si3Mes6","","- C54 H66 Si3 Sn2 -","- C54 H66 Si3 Sn2 -","- C432 H528 Si24 Sn16 -","8","1","","Nied, Dominik; Oña-Burgos, Pascual; Klopper, Wim; Breher, Frank","Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements","Organometallics","2011","30","6","1419","","10.1021/om100977z","","","0.71073","MoKα","","0.1288","0.1035","","","0.1722","0.1852","","","","","","1.138","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063841","23.038","0.005","15.932","0.003","21.74","0.004","90","","107.82","0.03","90","","7597","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[FcS(Ge2Si3Mes6)SFc]","","- C88 H100 Fe2 Ge2 S2 Si3 -","- C88 H100 Fe2 Ge2 S2 Si3 -","- C352 H400 Fe8 Ge8 S8 Si12 -","4","0.5","","Nied, Dominik; Oña-Burgos, Pascual; Klopper, Wim; Breher, Frank","Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements","Organometallics","2011","30","6","1419","","10.1021/om100977z","","","0.71073","MoKα","","0.064","0.052","","","0.1286","0.1412","","","","","","1.093","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063842","23.325","0.005","15.972","0.003","21.83","0.004","90","","108","0.03","90","","7735","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[FcS(Sn2Si3Mes6)SFc]","","- C88 H100 Fe2 S2 Si3 Sn2 -","- C88 H100 Fe2 S2 Si3 Sn2 -","- C352 H400 Fe8 S8 Si12 Sn8 -","4","0.5","","Nied, Dominik; Oña-Burgos, Pascual; Klopper, Wim; Breher, Frank","Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements","Organometallics","2011","30","6","1419","","10.1021/om100977z","","","0.71073","MoKα","","0.066","0.046","","","0.1093","0.1214","","","","","","1.048","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063843","12.7227","0.0012","16.2724","0.0016","17.4273","0.0019","101.032","0.005","106.697","0.005","105.473","0.006","3187.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H76 O5 P2 Pd2 Si4 -","- C61 H76 O5 P2 Pd2 Si4 -","- C122 H152 O10 P4 Pd4 Si8 -","2","1","","Tschan, Mathieu J.-L.; López-Valbuena, Josep-Maria; Freixa, Zoraida; Launay, Hélène; Hagen, Henk; Benet-Buchholz, Jordi; van Leeuwen, Piet W. N. M.","Large P−P Distance Diphosphines and Their Monophosphine Analogues as Ligands in the Palladium-Catalyzed Telomerization of 1,3-Butadiene and Methanol","Organometallics","2011","30","4","792","","10.1021/om100980m","","","0.71073","MoKα","","0.1524","0.0818","","","0.1937","0.2328","","","","","","1.036","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063844","16.178","0.0009","20.8087","0.0012","18.2061","0.0012","90","","114.239","0.002","90","","5588.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 O4 P2 Pd2 Si4 -","- C56 H68 O4 P2 Pd2 Si4 -","- C224 H272 O16 P8 Pd8 Si16 -","4","1","","Tschan, Mathieu J.-L.; López-Valbuena, Josep-Maria; Freixa, Zoraida; Launay, Hélène; Hagen, Henk; Benet-Buchholz, Jordi; van Leeuwen, Piet W. N. M.","Large P−P Distance Diphosphines and Their Monophosphine Analogues as Ligands in the Palladium-Catalyzed Telomerization of 1,3-Butadiene and Methanol","Organometallics","2011","30","4","792","","10.1021/om100980m","","","0.71073","MoKα","","0.056","0.035","","","0.084","0.0946","","","","","","1.064","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063845","11.3767","0.0004","12.2208","0.0005","13.9557","0.0006","102.708","0.001","99.606","0.002","111.486","0.001","1694.53","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H41 Cl F6 Ir2 N5 P -","- C32 H41 Cl F6 Ir2 N5 P -","- C64 H82 Cl2 F12 Ir4 N10 P2 -","2","1","","Dzik, Wojciech I.; Calvo, Sara E.; Reek, Joost N. H.; Lutz, Martin; Ciriano, Miguel A.; Tejel, Cristina; Hetterscheid, Dennis G. H.; de Bruin, Bas","Binuclear [(cod)(Cl)Ir(bpi)Ir(cod)]+for Catalytic Water Oxidation","Organometallics","2011","30","3","372","","10.1021/om100981v","","","0.71073","MoKα","","0.0148","0.0137","","","0.032","0.0324","","","","","","1.069","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063846","11.3488","0.0001","11.8367","0.0001","12.5025","0.0001","67.323","0.001","77.905","0.001","73.822","0.001","1478.37","0.02","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Cl Ir O6 P2 -","- C28 H40 Cl Ir O6 P2 -","- C56 H80 Cl2 Ir2 O12 P4 -","2","1","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","","0.71073","MoKα","","0.0282","0.0234","","","0.0552","0.0567","","","","","","1.067","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063847","11.3349","0.0003","14.784","0.0004","15.3145","0.0004","90","","90","","90","","2566.33","0.12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl Ir O3 P2 -","- C25 H36 Cl Ir O3 P2 -","- C100 H144 Cl4 Ir4 O12 P8 -","4","0.5","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","","0.71073","MoKα","","0.0419","0.038","","","0.0783","0.0807","","","","","","1.173","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063848","7.7917","0.0002","15.8875","0.0002","11.1735","0.0002","90","","109.398","0.002","90","","1304.66","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","iridium","","- C25 H36 Cl Ir O3 P2 -","- C25 H36 Cl Ir O3 P2 -","- C50 H72 Cl2 Ir2 O6 P4 -","2","1","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","","0.71073","MoKα","","0.032","0.0308","","","0.0747","0.0757","","","","","","1.045","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063849","8.4699","0.0001","16.7945","0.0003","18.3471","0.0003","90","","101.696","0.001","90","","2555.65","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl Ir O3 P2 -","- C25 H36 Cl Ir O3 P2 -","- C100 H144 Cl4 Ir4 O12 P8 -","4","1","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","","0.71073","MoKα","","0.0236","0.0196","","","0.0391","0.04","","","","","","1.073","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063850","11.5232","0.0006","18.726","0.0009","15.6066","0.0008","90","","94.88","0.002","90","","3355.4","0.3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C80 H74 Ag2 B2 F8 Ir2 O6 P4 -","- C52 H74 Ag2 B2 Cl8 F8 Ir2 O6 P4 -","- C104 H148 Ag4 B4 Cl16 F16 Ir4 O12 P8 -","2","0.5","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","","0.71073","MoKα","","0.0326","0.0283","","","0.0706","0.0769","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063851","12.0556","0.0004","12.346","0.0005","14.0596","0.0005","70.887","0.003","70.531","0.003","88.44","0.003","1856.3","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H90 Cl12 O6 P4 Rh2 -","- C58.994 H90 Cl11.994 O5.994 P4 Rh2 -","- C58.994 H90 Cl11.994 O5.994 P4 Rh2 -","1","0.5","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","x-ray","0.71073","MoKα","","0.0363","0.0334","","","0.0826","0.0843","","","","","","1.039","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063852","15.0816","0.0001","11.0172","0.0001","17.0358","0.0001","90","","93.602","0.001","90","","2825.03","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Iridium(I)","","- C27 H40 Cl Ir O3 P2 -","- C27 H40 Cl Ir O3 P2 -","- C108 H160 Cl4 Ir4 O12 P8 -","4","1","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","","0.71073","MoKα","","0.0299","0.0245","","","0.0544","0.058","","","","","","1.136","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063853","25.475","0.0005","8.232","0.0002","16.448","0.0004","90","","129.525","0.001","90","","2660.61","0.11","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Cl2 Zr -","- C32 H40 Cl2 Zr -","- C128 H160 Cl8 Zr4 -","4","0.5","","Ransom, Paul; Ashley, Andrew E.; Brown, N. David; Thompson, Amber L.; O’Hare, Dermot","Synthesis, Characterization, and Polymerization Studies of Ethylenebis(hexamethylindenyl) Complexes of Zirconium and Hafnium","Organometallics","2011","30","4","800","","10.1021/om100986j","","","0.71073","MoKα","","0.0665","0.0408","","0.0949","0.0863","0.0949","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063854","8.1021","0.0002","12.2965","0.0004","16.5636","0.0006","97.2329","0.0016","103.252","0.0016","104.861","0.0015","1522.31","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C33.75 H42 Cl2 Zr -","- C33.75 H42 Cl2 Zr -","- C67.5 H84 Cl4 Zr2 -","2","1","","Ransom, Paul; Ashley, Andrew E.; Brown, N. David; Thompson, Amber L.; O’Hare, Dermot","Synthesis, Characterization, and Polymerization Studies of Ethylenebis(hexamethylindenyl) Complexes of Zirconium and Hafnium","Organometallics","2011","30","4","800","","10.1021/om100986j","","","0.71073","MoKα","","0.0692","0.052","","0.1386","0.127","0.1386","","","","","","0.9967","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063855","25.4431","0.0003","8.2319","0.0002","16.4078","0.0003","90","","129.466","0.0007","90","","2653","0.09","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Cl2 Hf -","- C32 H40 Cl2 Hf -","- C128 H160 Cl8 Hf4 -","4","0.5","","Ransom, Paul; Ashley, Andrew E.; Brown, N. David; Thompson, Amber L.; O’Hare, Dermot","Synthesis, Characterization, and Polymerization Studies of Ethylenebis(hexamethylindenyl) Complexes of Zirconium and Hafnium","Organometallics","2011","30","4","800","","10.1021/om100986j","","","0.71073","MoKα","","0.0257","0.0239","","0.0554","0.0545","0.0554","","","","","","0.9925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063856","18.5146","0.0003","8.017","0.0001","19.3519","0.0003","90","","107.451","0.0006","90","","2740.22","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Cl2 Hf -","- C32 H40 Cl2 Hf -","- C128 H160 Cl8 Hf4 -","4","1","","Ransom, Paul; Ashley, Andrew E.; Brown, N. David; Thompson, Amber L.; O’Hare, Dermot","Synthesis, Characterization, and Polymerization Studies of Ethylenebis(hexamethylindenyl) Complexes of Zirconium and Hafnium","Organometallics","2011","30","4","800","","10.1021/om100986j","","","0.71073","MoKα","","0.0716","0.041","","0.0935","0.085","0.0935","","","","","","0.9582","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063857","9.3442","0.0011","10.8748","0.0013","19.243","0.002","100.656","0.001","100.726","0.001","102.265","0.001","1825.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H54 N3 O Si4 Yb -","- C28 H54 N3 O Si4 Yb -","- C56 H108 N6 O2 Si8 Yb2 -","2","1","","Zhang, Lijun; Xia, Jing; Li, Qinghai; Li, Xihong; Wang, Shaowu","Fast Synthesis of Hydrazine and Azo Derivatives by Oxidation of Rare-Earth-Metal−Nitrogen Bonds","Organometallics","2011","30","3","375","","10.1021/om1009928","","","0.71073","MoKα","","0.0289","0.0236","","","0.0618","0.0642","","","","","","1.043","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063858","22.479","0.004","5.9147","0.001","8.4151","0.0014","90","","106.922","0.002","90","","1070.4","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 -","- C12 H12 N4 -","- C48 H48 N16 -","4","0.5","","Zhang, Lijun; Xia, Jing; Li, Qinghai; Li, Xihong; Wang, Shaowu","Fast Synthesis of Hydrazine and Azo Derivatives by Oxidation of Rare-Earth-Metal−Nitrogen Bonds","Organometallics","2011","30","3","375","","10.1021/om1009928","","","0.71073","MoKα","","0.049","0.0415","","","0.1193","0.1272","","","","","","1.12","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063859","12.889","0.003","19.715","0.004","11.448","0.002","90","","105.41","0.03","90","","2804.4","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 Cl2 N3 O Pd -","- C28 H39 Cl2 N3 O Pd -","- C112 H156 Cl8 N12 O4 Pd4 -","4","1","","Kong, Yong; Wen, Lifang; Song, Haibin; Xu, Shansheng; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Aryloxide-N-Heterocyclic Carbene Ligated Palladacycles","Organometallics","2011","30","1","153","","10.1021/om100994s","","","0.71073","MoKα","","0.0305","0.0284","","","0.0714","0.0728","","","","","","1.068","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063860","10.598","0.002","13.524","0.003","19.771","0.004","76.99","0.03","87.58","0.03","88.28","0.03","2757.9","1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 N3 O Pd -","- C29 H41 N3 O Pd -","- C116 H164 N12 O4 Pd4 -","4","2","","Kong, Yong; Wen, Lifang; Song, Haibin; Xu, Shansheng; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Aryloxide-N-Heterocyclic Carbene Ligated Palladacycles","Organometallics","2011","30","1","153","","10.1021/om100994s","","","0.71073","MoKα","","0.052","0.0422","","","0.0971","0.1044","","","","","","1.025","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063861","26.79","0.005","20.63","0.004","10.561","0.002","90","","102.6","0.03","90","","5696","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 N3 O Pd -","- C32 H39 N3 O Pd -","- C256 H312 N24 O8 Pd8 -","8","1","","Kong, Yong; Wen, Lifang; Song, Haibin; Xu, Shansheng; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Aryloxide-N-Heterocyclic Carbene Ligated Palladacycles","Organometallics","2011","30","1","153","","10.1021/om100994s","","","0.71073","MoKα","","0.0399","0.0355","","","0.0855","0.0932","","","","","","1.073","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063862","14.454","0.003","21.368","0.004","11.006","0.002","90","","110.1","0.03","90","","3192.2","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H45 N3 O Pd -","- C35 H45 N3 O Pd -","- C140 H180 N12 O4 Pd4 -","4","1","","Kong, Yong; Wen, Lifang; Song, Haibin; Xu, Shansheng; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Aryloxide-N-Heterocyclic Carbene Ligated Palladacycles","Organometallics","2011","30","1","153","","10.1021/om100994s","","","0.71073","MoKα","","0.0401","0.0347","","","0.079","0.0823","","","","","","0.992","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063863","21.183","0.003","21.183","0.003","34.642","0.007","90","","90","","90","","15545","4","113","2","113","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C31 H45 Cl2 N3 O Pd -","- C31 H45 Cl2 N3 O Pd -","- C496 H720 Cl32 N48 O16 Pd16 -","16","1","","Kong, Yong; Wen, Lifang; Song, Haibin; Xu, Shansheng; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Aryloxide-N-Heterocyclic Carbene Ligated Palladacycles","Organometallics","2011","30","1","153","","10.1021/om100994s","","","0.71073","MoKα","","0.0473","0.0429","","","0.114","0.1168","","","","","","1.105","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063864","8.9225","0.0003","12.8395","0.0004","14.0101","0.0005","79.197","0.003","85.263","0.003","70.482","0.003","1485.62","0.09","293","1","293","1","","","","","","","","8","P -1","-P 1","2","","","","- C30 H25 Cl F6 N2 O P2 Ru -","- C30 H25 Cl F6 N2 O P2 Ru -","- C60 H50 Cl2 F12 N4 O2 P4 Ru2 -","2","1","","Aguilar, David; Bielsa, Raquel; Soler, Tatiana; Urriolabeitia, Esteban P.","Cycloruthenated Complexes from Iminophosphoranes: Synthesis, Structure, and Reactivity with Internal Alkynes","Organometallics","2011","30","3","642","","10.1021/om100997x","","","0.71073","MoKα","","0.0648","0.0447","","","0.0962","0.1018","","","","","","1.076","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063865","9.863","0.0005","9.4549","0.0005","24.7248","0.0016","90","","95.645","0.006","90","","2294.5","0.2","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 Cl2 N2 O P2 Ru2 -","- C52 H42 Cl2 N2 O P2 Ru2 -","- C104 H84 Cl4 N4 O2 P4 Ru4 -","2","0.5","","Aguilar, David; Bielsa, Raquel; Soler, Tatiana; Urriolabeitia, Esteban P.","Cycloruthenated Complexes from Iminophosphoranes: Synthesis, Structure, and Reactivity with Internal Alkynes","Organometallics","2011","30","3","642","","10.1021/om100997x","","","0.71073","MoKα","","0.0724","0.0343","","","0.0574","0.0599","","","","","","0.92","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063866","10.0506","0.0003","16.1798","0.0003","17.5873","0.0004","90","","99.827","0.003","90","","2818.03","0.12","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N P Ru -","- C34 H33 Cl N P Ru -","- C136 H132 Cl4 N4 P4 Ru4 -","4","1","","Aguilar, David; Bielsa, Raquel; Soler, Tatiana; Urriolabeitia, Esteban P.","Cycloruthenated Complexes from Iminophosphoranes: Synthesis, Structure, and Reactivity with Internal Alkynes","Organometallics","2011","30","3","642","","10.1021/om100997x","","","0.71073","MoKα","","0.0381","0.0254","","","0.0576","0.0594","","","","","","1.082","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063867","11.2757","0.0004","13.0139","0.0004","21.2552","0.0007","91.0983","0.0003","99.1756","0.0003","91.41","0.0003","3077.32","0.18","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C63 H56.5 F3 Ir N3.5 O7 Os P4 S -","- C63 H56.5 F3 Ir N3.5 O7 Os P4 S -","- C126 H113 F6 Ir2 N7 O14 Os2 P8 S2 -","2","1","","MacDougall, Tiffany J.; Llamazares, Angela; Kuhnert, Oliver; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Alkyne/Methylene Coupling at Adjacent Iridium/Osmium Centers: Facile Carbon−Carbon and Carbon−Oxygen Bond Formation","Organometallics","2011","30","5","952","","10.1021/om1009999","","","0.71073","MoKα","","0.0188","0.0176","","","0.0448","0.0452","","","","","","1.067","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063868","12.4449","0.0009","19.1398","0.0014","25.8758","0.0019","90","","97.674","0.001","90","","6108.2","0.8","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H49 Cl3 F9 Ir O6 Os P4 S -","- C60.5 H49 Cl3 F9 Ir O6 Os P4 S -","- C242 H196 Cl12 F36 Ir4 O24 Os4 P16 S4 -","4","1","","MacDougall, Tiffany J.; Llamazares, Angela; Kuhnert, Oliver; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Alkyne/Methylene Coupling at Adjacent Iridium/Osmium Centers: Facile Carbon−Carbon and Carbon−Oxygen Bond Formation","Organometallics","2011","30","5","952","","10.1021/om1009999","","","0.71073","MoKα","","0.0299","0.0262","","","0.0653","0.0674","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063869","11.3495","0.0007","13.854","0.0009","19.5589","0.0012","97.5953","0.0007","90.3465","0.0007","111.657","0.0007","2828.2","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H54 B F4 Ir O7 Os P4 -","- C61 H54 B F4 Ir O7 Os P4 -","- C122 H108 B2 F8 Ir2 O14 Os2 P8 -","2","1","","MacDougall, Tiffany J.; Llamazares, Angela; Kuhnert, Oliver; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Alkyne/Methylene Coupling at Adjacent Iridium/Osmium Centers: Facile Carbon−Carbon and Carbon−Oxygen Bond Formation","Organometallics","2011","30","5","952","","10.1021/om1009999","","","0.71073","MoKα","","0.0332","0.0299","","","0.0768","0.0792","","","","","","1.038","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063870","11.5146","0.0014","14.703","0.002","19.18","0.003","87.307","0.013","76.756","0.013","84.88","0.01","3147","0.8","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C61 H54 B Cl4 F4 Ir O7 Os P4 -","- C61 H54 B Cl4 F4 Ir O7 Os P4 -","- C122 H108 B2 Cl8 F8 Ir2 O14 Os2 P8 -","2","1","","MacDougall, Tiffany J.; Llamazares, Angela; Kuhnert, Oliver; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Alkyne/Methylene Coupling at Adjacent Iridium/Osmium Centers: Facile Carbon−Carbon and Carbon−Oxygen Bond Formation","Organometallics","2011","30","5","952","","10.1021/om1009999","","","0.71073","MoKα","","0.0693","0.0458","","","0.1366","0.1489","","","","","","1.047","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063871","17.1982","0.0007","19.7172","0.0008","18.3317","0.0007","90","","107.152","0.0004","90","","5939.8","0.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C59 H60 F3 N O7 Os P5 Rh S -","- C59 H60 F3 N O7 Os P5 Rh S -","- C236 H240 F12 N4 O28 Os4 P20 Rh4 S4 -","4","1","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Ethylene Substitution in a Bis-Ethylene Complex of Rh/Os and Unusual Brønsted−Lowry Basicity of an N-Heterocyclic Carbene","Organometallics","2011","30","4","815","","10.1021/om101000y","","","0.71073","MoKα","","0.0296","0.0252","","","0.0681","0.0707","","","","","","1.034","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063872","15.8631","0.0009","19.6777","0.0011","21.6108","0.0012","96.9515","0.0007","106.386","0.0007","111.141","0.0006","5846.2","0.6","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C116.25 H107.5 Cl6.5 F3 N2 O7 Os2 P8 Rh2 S -","- C116.25 H107.5 Cl6.5 F3 N2 O7 Os2 P8 Rh2 S -","- C232.5 H215 Cl13 F6 N4 O14 Os4 P16 Rh4 S2 -","2","1","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Ethylene Substitution in a Bis-Ethylene Complex of Rh/Os and Unusual Brønsted−Lowry Basicity of an N-Heterocyclic Carbene","Organometallics","2011","30","4","815","","10.1021/om101000y","","","0.71073","MoKα","","0.0367","0.0278","","","0.0781","0.0849","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063873","10.445","0.002","11.343","0.003","12.009","0.003","68.575","0.004","76.5","0.004","62.784","0.004","1174","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jontt22","","","- C20 H34 B N7 P Rh -","- C20 H34 B N7 P Rh -","- C40 H68 B2 N14 P2 Rh2 -","2","1","","Tanabe, Taro; Evans, Meagan E.; Brennessel, William W.; Jones, William D.","C−H and C−CN Bond Activation of Acetonitrile and Succinonitrile by [Tp′Rh(PR3)]","Organometallics","2011","30","4","834","","10.1021/om101002m","","","0.71073","MoKα","","0.0716","0.0568","","","0.1135","0.1203","","","","","","1.058","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063874","11.2092","0.0016","11.2769","0.0016","12.6103","0.0018","71.073","0.002","85.936","0.003","62.7","0.002","1334.1","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jontt20","","","- C25 H36 B N7 P Rh -","- C25 H36 B N7 P Rh -","- C50 H72 B2 N14 P2 Rh2 -","2","1","","Tanabe, Taro; Evans, Meagan E.; Brennessel, William W.; Jones, William D.","C−H and C−CN Bond Activation of Acetonitrile and Succinonitrile by [Tp′Rh(PR3)]","Organometallics","2011","30","4","834","","10.1021/om101002m","","","0.71073","MoKα","","0.064","0.0421","","","0.0898","0.0989","","","","","","1.019","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063875","11.469","0.002","13.779","0.003","14.942","0.003","90","","96.868","0.004","90","","2344.4","0.8","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jontt21","","","- C20 H34 B N7 P Rh -","- C20 H34 B N7 P Rh -","- C80 H136 B4 N28 P4 Rh4 -","4","1","","Tanabe, Taro; Evans, Meagan E.; Brennessel, William W.; Jones, William D.","C−H and C−CN Bond Activation of Acetonitrile and Succinonitrile by [Tp′Rh(PR3)]","Organometallics","2011","30","4","834","","10.1021/om101002m","","","0.71073","MoKα","","0.0863","0.0448","","","0.0869","0.1003","","","","","","1.021","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063876","9.1906","0.0008","22.113","0.0018","14.2839","0.0011","90","","105.078","0.002","90","","2803","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jontt23","","","- C25.5 H39 B N8 P Rh -","- C25.5 H39 B N8 P Rh -","- C102 H156 B4 N32 P4 Rh4 -","4","1","","Tanabe, Taro; Evans, Meagan E.; Brennessel, William W.; Jones, William D.","C−H and C−CN Bond Activation of Acetonitrile and Succinonitrile by [Tp′Rh(PR3)]","Organometallics","2011","30","4","834","","10.1021/om101002m","","","0.71073","MoKα","","0.1187","0.0566","","","0.1077","0.1314","","","","","","1.011","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063877","11.8817","0.0012","24.68","0.003","22.231","0.002","90","","92.315","0.0018","90","","6513.7","1.2","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H76 F3 N2 O8 Os P4 Rh S -","- C61 H56 F3 N2 O6 Os P4 Rh S -","- C244 H224 F12 N8 O24 Os4 P16 Rh4 S4 -","4","1","","Wells, Kyle D.; McDonald, Robert; Ferguson, Michael J.; Cowie, Martin","Influences of N-Heterocyclic Carbene and PMe3Ligands on the Tautomerism between Methylene/Hydride and Bridging Methyl Complexes of Rh/Os and Unusual Examples of Ligand Deprotonation by the NHC Group","Organometallics","2011","30","10","2654","","10.1021/om1010066","","","0.71073","MoKα","","0.0578","0.0457","","","0.1126","0.118","","","","","","0.983","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063878","12.7428","0.0017","15.891","0.002","17.468","0.002","90.12","0.0018","106.618","0.0018","108.115","0.0017","3205.3","0.7","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C58.25 H55.5 Cl2.5 F3 O6 Os P5 Rh S -","- C58.25 H55.5 Cl2.5 F3 O6 Os P5 Rh S -","- C116.5 H111 Cl5 F6 O12 Os2 P10 Rh2 S2 -","2","1","","Wells, Kyle D.; McDonald, Robert; Ferguson, Michael J.; Cowie, Martin","Influences of N-Heterocyclic Carbene and PMe3Ligands on the Tautomerism between Methylene/Hydride and Bridging Methyl Complexes of Rh/Os and Unusual Examples of Ligand Deprotonation by the NHC Group","Organometallics","2011","30","10","2654","","10.1021/om1010066","","","0.71073","MoKα","","0.0672","0.0513","","","0.1392","0.149","","","","","","1.053","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063879","13.6192","0.001","13.9648","0.001","20.2106","0.0014","87.0519","0.0011","71.6752","0.001","79.8666","0.001","3592","0.4","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C64 H61 Cl4 F6 N2 O9 Os P4 Rh S2 -","- C62 H57 F6 N2 O9 Os P4 Rh S2 -","- C124 H114 F12 N4 O18 Os2 P8 Rh2 S4 -","2","1","","Wells, Kyle D.; McDonald, Robert; Ferguson, Michael J.; Cowie, Martin","Influences of N-Heterocyclic Carbene and PMe3Ligands on the Tautomerism between Methylene/Hydride and Bridging Methyl Complexes of Rh/Os and Unusual Examples of Ligand Deprotonation by the NHC Group","Organometallics","2011","30","10","2654","","10.1021/om1010066","","","0.71073","MoKα","","0.0337","0.0285","","","0.0739","0.0759","","","","","","1.043","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063880","18.09","0.004","13.796","0.003","29.327","0.008","90","","103.4","0.03","90","","7120","3","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris-257 (Peng)","","","- C80 H76 Cr2 O6 Si4 -","- C80 H76 Cr2 O6 Si4 -","- C320 H304 Cr8 O24 Si16 -","4","1","","Qiu, Pengyuan; Cheng, Ruihua; Liu, Boping; Tumanskii, Boris; Batrice, Rami J.; Botoshansky, Mark; Eisen, Moris S.","A Triphenylsiloxy Complex of Chromium(II) as a Switchable Catalyst for Ethylene Polymerization and Nonselective Oligomerization","Organometallics","2011","30","8","2144","","10.1021/om101008j","","","0.71073","MoKα","","0.0992","0.0455","","","0.1024","0.116","","","","","","0.905","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063881","13.165","0.007","10.728","0.005","22.186","0.01","90","","101.711","0.006","90","","3068","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Ir N5 -","- C36 H44 Ir N5 -","- C144 H176 Ir4 N20 -","4","1","","Camerano, José A.; Sämann, Christoph; Wadepohl, Hubert; Gade, Lutz H.","Bis(pyridylimino)isoindolato−Iridium Complexes as Epoxidation Catalysts for Alkenes","Organometallics","2011","30","3","379","","10.1021/om1010116","","x-ray","0.71073","MoKα","","0.0497","0.0292","","","0.0515","0.0566","","","","","","1.017","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063882","10.607","0.006","11.268","0.006","13.458","0.007","72.213","0.008","73.269","0.006","68.946","0.017","1400.3","1.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H33 N5 -","- C36 H33 N5 -","- C72 H66 N10 -","2","1","","Camerano, José A.; Sämann, Christoph; Wadepohl, Hubert; Gade, Lutz H.","Bis(pyridylimino)isoindolato−Iridium Complexes as Epoxidation Catalysts for Alkenes","Organometallics","2011","30","3","379","","10.1021/om1010116","","x-ray","0.71073","MoKα","","0.1084","0.0624","","","0.1369","0.1576","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063883","7.196","0.0008","11.8679","0.0013","13.0523","0.0015","107.189","0.003","101.533","0.002","100.036","0.002","1010.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N P S2 -","- C25 H18 N P S2 -","- C50 H36 N2 P2 S4 -","2","1","","Kozlov, Vladimir A.; Aleksanyan, Diana V.; Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Vasil’ev, Andrei A.; Odinets, Irina L.","Hybrid Thiophosphoryl‒Benzothiazole Palladium SCN-Pincer Complexes: Synthesis and Effect of Structure Modifications on Catalytic Performance in the Suzuki Cross-Coupling","Organometallics","2011","30","11","2920","","10.1021/om101012r","","","0.71073","MoKα","","0.0581","0.0392","","","0.0902","0.0995","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063884","9.6828","0.0006","11.1434","0.0006","12.3807","0.0007","71.529","0.001","82.375","0.0011","69.198","0.001","1184.15","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H36 Cl4 N2 P2 Pd2 S4 -","- C51 H36 Cl4 N2 P2 Pd2 S4 -","- C51 H36 Cl4 N2 P2 Pd2 S4 -","1","0.5","","Kozlov, Vladimir A.; Aleksanyan, Diana V.; Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Vasil’ev, Andrei A.; Odinets, Irina L.","Hybrid Thiophosphoryl‒Benzothiazole Palladium SCN-Pincer Complexes: Synthesis and Effect of Structure Modifications on Catalytic Performance in the Suzuki Cross-Coupling","Organometallics","2011","30","11","2920","","10.1021/om101012r","","","0.71073","MoKα","","0.0329","0.0277","","","0.066","0.0678","","","","","","1.007","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063885","9.9749","0.0009","20.4107","0.0019","11.654","0.0011","90","","108.592","0.002","90","","2248.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cl N O P Pd S2 -","- C25 H17 Cl N O P Pd S2 -","- C100 H68 Cl4 N4 O4 P4 Pd4 S8 -","4","1","","Kozlov, Vladimir A.; Aleksanyan, Diana V.; Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Vasil’ev, Andrei A.; Odinets, Irina L.","Hybrid Thiophosphoryl‒Benzothiazole Palladium SCN-Pincer Complexes: Synthesis and Effect of Structure Modifications on Catalytic Performance in the Suzuki Cross-Coupling","Organometallics","2011","30","11","2920","","10.1021/om101012r","","","0.71073","MoKα","","0.0264","0.021","","","0.0512","0.0527","","","","","","1.003","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063886","8.877","0.0004","11.9311","0.0005","13.0779","0.0005","84.727","0.0011","79.533","0.001","71.316","0.001","1289.44","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H19 Cl3 N O P Pd S2 -","- C26 H19 Cl3 N O P Pd S2 -","- C52 H38 Cl6 N2 O2 P2 Pd2 S4 -","2","1","","Kozlov, Vladimir A.; Aleksanyan, Diana V.; Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Vasil’ev, Andrei A.; Odinets, Irina L.","Hybrid Thiophosphoryl‒Benzothiazole Palladium SCN-Pincer Complexes: Synthesis and Effect of Structure Modifications on Catalytic Performance in the Suzuki Cross-Coupling","Organometallics","2011","30","11","2920","","10.1021/om101012r","","","0.71073","MoKα","","0.0255","0.0225","","","0.05","0.0509","","","","","","1.01","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063887","12.261","0.003","12.315","0.003","13.56","0.003","86.55","0.03","67.76","0.03","67.18","0.03","1737.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[(η^5^-C~5~Me~5~)Ru(=C=C=CPh~2~){κ^2^ P,N-^i^Pr~2~PNH(C~5~H~4~N)}][PF~6~]","{(diisopropyl-phosphanyl)-(pyridin-2-yl)-amine-κ^2^-P,N}-(diphenyl- allenylidene)-(pentahapto-pentamethyl-cyclopentadienyl)-ruthenium(II) hexafluorophosphate","","- C36 H44 F6 N2 P2 Ru -","- C36 H44 F6 N2 P2 Ru -","- C72 H88 F12 N4 P4 Ru2 -","2","1","","Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6]","Organometallics","2011","30","4","726","","10.1021/om101013j","","x-ray","0.71073","MoKα","","0.0311","0.0294","","","0.0752","0.0763","","","","","","1.032","","","","has coordinates","194597","2020-10-21","18:00:00",""
"4063888","9.9687","0.0007","20.5188","0.0015","20.0257","0.0014","90","","103.297","0.001","90","","3986.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(η^5^-C~5~Me~5~)Ru{=C(NHC~6~H~11~)CH=CPh~2~} {κ^2^ P,N-^i^Pr~2~PNH(C~5~H~4~N)}][PF~6~]","{1-(cyclohexylamine)-3,3-diphenyl-prop-2-en-1-ylidene}{(diisopropyl-phosphanyl)- (pyridin-2-yl)-amine-κ^2^-P,N}-(pentahapto-cyclopentadienyl)‒ruthenium(II) hexafluorophosphate","","- C42 H57 F6 N3 P2 Ru -","- C42 H57 F6 N3 P2 Ru -","- C168 H228 F24 N12 P8 Ru4 -","4","1","","Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6]","Organometallics","2011","30","4","726","","10.1021/om101013j","","x-ray","0.71073","MoKα","","0.0473","0.0434","","","0.0907","0.0929","","","","","","1.046","","","","has coordinates","194597","2020-10-21","18:00:00",""
"4063889","10.376","0.002","21.655","0.004","17.28","0.004","90","","95.54","0.03","90","","3864.5","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(η^5^-C~5~Me~5~)Ru(=CHCH=CPh~2~){-P(^i^Pr~2~)NH(C~5~H~4~N-)}]","{2-(diisopropylphosphinoamine)pyridine-κ^2^-N,P}- (pentahapto-pentamethylcyclopentadienyl) -{(diphenyl)prop-2-en-1-carbene}-ruthenium (II)","","- C37 H48 Cl2 F6 N2 P2 Ru -","- C37 H48 Cl2 F6 N2 P2 Ru -","- C148 H192 Cl8 F24 N8 P8 Ru4 -","4","1","","Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6]","Organometallics","2011","30","4","726","","10.1021/om101013j","","x-ray","0.71073","MoKα","","0.0494","0.0382","","","0.0933","0.0966","","","","","","1.027","","","","has coordinates,has disorder","194597","2020-10-21","18:00:00",""
"4063890","14.21","0.003","17.338","0.004","18.216","0.004","90","","104.62","0.03","90","","4342.6","1.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[(η^5^-C~5~Me~5~)Ru{=C(SPH)CH=CPh~2~}{κ^2^ P,N-^i^Pr~2~PNH(C~5~H~4~N)}] [PF~6~].CH~2~Cl~2~","{(diisopropyl-phosphanyl)-(pyridin-2-yl)-amine-κ^2^-P,N}- {1-(phenyl-mercapto)-3,3-diphenylprop-2-en-1-ylidene}- (pentahapto-pentamethyl-cyclopentadienyl)-ruthenium(II) hexafluorophosphate dichloromethane solvate","","- C43 H52 Cl2 F6 N2 P2 Ru S -","- C43 H52 Cl2 F6 N2 P2 Ru S -","- C172 H208 Cl8 F24 N8 P8 Ru4 S4 -","4","1","","Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6]","Organometallics","2011","30","4","726","","10.1021/om101013j","","x-ray","0.71073","MoKα","","0.0526","0.0473","","","0.1186","0.122","","","","","","1.039","","","","has coordinates,has disorder","194597","2020-10-21","18:00:00",""
"4063891","14.122","0.003","19.76","0.004","14.959","0.003","90","","101.59","0.03","90","","4089.2","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{(diisopropyl-phosphanyl)-(pyridin-2-yl)-amine-κ^2^-P,N}-(1-pentafluorophenyl -thio-3,3-diphenyl-prop-2-en-ylidene)-(pentahapto-pentamethyl-cyclopentadienyl) -ruthenium(II) hexafluorophosphate","","- C42 H45 F11 N2 P2 Ru S -","- C42 H45 F11 N2 P2 Ru S -","- C168 H180 F44 N8 P8 Ru4 S4 -","4","1","","Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6]","Organometallics","2011","30","4","726","","10.1021/om101013j","","x-ray","0.71073","MoKα","","0.0878","0.0778","","","0.1463","0.1518","","","","","","1.061","","","","has coordinates,has disorder","194597","2020-10-21","18:00:00",""
"4063892","14.7","0.003","15.636","0.003","20.907","0.004","90","","109.74","0.03","90","","4523.1","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(η^5^-C~5~Me~5~)Ru{κ^2^-C,N-(=C-CH(SC~5~H~4~N)=CPh~2~} {κ^1^ P-^i^Pr~2~PNH(C~5~H~4~N)}][PF~6~].0.49 (CH~2~Cl~2~)","{(diisopropyl-phosphanyl)-(pyridin-2-yl)-amine-κ^1^-P}- {1-(2-mercapto-pyridine)-3,3-diphenyl-prop-2-en-1-ylidene‒κ^2^-C,N}- (pentahapto-pentamethyl-cyclopentadienyl)-ruthenium(II) hexafluorophosphate dichloromethane solvate","","- C41.49 H49.97 Cl0.97 F6 N3 P2 Ru S -","- C41.486 H49.972 Cl0.972 F6 N3 P2 Ru S -","- C165.944 H199.888 Cl3.888 F24 N12 P8 Ru4 S4 -","4","1","","Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6]","Organometallics","2011","30","4","726","","10.1021/om101013j","","x-ray","0.71073","MoKα","","0.0887","0.0792","","","0.1474","0.1521","","","","","","1.077","","","","has coordinates,has disorder","194597","2020-10-21","18:00:00",""
"4063893","14.443","0.003","15.792","0.003","21.226","0.004","90","","107.49","0.03","90","","4617.5","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(η^5^-C~5~Me~5~)Ru{κ^2^-C,N-(=C-CH(SC~5~H~4~N)=CPh~2~} {κ^1^ P-^i^Pr~2~PNH(C~4~H~3~N~2~)}][PF~6~].2(CH~2~Cl~2~)","{(diisopropyl-phosphanyl)-(pyridin-2-yl)-amine-κ^1^-P}- {1-(2-mercapto-pyrimidine)-3,3-diphenyl-prop-2-en-1-ylidene‒κ^2^-C,N}- (pentahapto-pentamethyl-cyclopentadienyl)-ruthenium(II) hexafluorophosphate bis(dichloromethane) solvate","","- C42 H52 Cl4 F6 N4 P2 Ru S -","- C42 H52 Cl4 F6 N4 P2 Ru S -","- C168 H208 Cl16 F24 N16 P8 Ru4 S4 -","4","1","","Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6]","Organometallics","2011","30","4","726","","10.1021/om101013j","","x-ray","0.71073","MoKα","","0.0405","0.0357","","","0.0828","0.0855","","","","","","1.023","","","","has coordinates","194597","2020-10-21","18:00:00",""
"4063894","11.7839","0.0007","15.3362","0.0009","14.5275","0.0009","90","","100.413","0.001","90","","2582.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru{η^5^-C~5~(CH~3~)~5~}{κ^2^ P,N- ^i^Pr~2~PNHpy}][PF~6~]","Carbonyl-(Pentahapto-pentamethylcyclopentadienyl)-(2-diisopropylphosphineamine -pyridine)-ruthenium (II) hexafluorophosphate","","- C22 H34 F6 N2 O P2 Ru -","- C22 H34 F6 N2 O P2 Ru -","- C88 H136 F24 N8 O4 P8 Ru4 -","4","1","","Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6]","Organometallics","2011","30","4","726","","10.1021/om101013j","","x-ray","0.71073","MoKα","","0.0349","0.0334","","","0.0761","0.077","","","","","","1.066","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063895","8.0582","0.001","10.6596","0.0015","15.37","0.002","81.788","0.01","86.311","0.01","73.351","0.01","1251.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(oxydiethane-2,1-diyl)bis(diphenylbismuthine)","","- C28 H28 Bi2 O -","- C28 H28 Bi2 O -","- C56 H56 Bi4 O2 -","2","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.0405","0.027","","","0.0476","0.0529","","","","","","1.134","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063896","8.2155","0.001","12.371","0.002","13.95","0.002","90","","95.362","0.01","90","","1411.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","12-bromo-6-methyl-5,6,7,12-tetrahydrodibenzo[c,f][1,5]azabismocine","","- C15 H15 Bi Br N -","- C15 H15 Bi Br N -","- C60 H60 Bi4 Br4 N4 -","4","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.048","0.0359","","","0.069","0.0744","","","","","","1.131","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063897","11.2692","0.001","12.8951","0.001","22.4136","0.0015","90","","101.793","0.004","90","","3188.3","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[sulfanediylbis(methanediylbenzene-2,1-diyl)]bis(diphenylbismuthane)","","- C38 H32 Bi2 S -","- C38 H32 Bi2 S -","- C152 H128 Bi8 S4 -","4","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.0373","0.029","","","0.0577","0.0608","","","","","","1.109","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063898","12.047","0.002","8.0567","0.0015","26.471","0.005","90","","100.379","0.007","90","","2527.2","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{thiobis(methylene-2,1-phenylene)}bis(trimethylstibonium)]Iodide","","- C20 H30 I2 S Sb2 -","- C20 H30 I2 S Sb2 -","- C80 H120 I8 S4 Sb8 -","4","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.0554","0.0428","","","0.0835","0.0901","","","","","","1.11","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063899","8.0949","0.0015","14.664","0.003","25.465","0.005","90","","96.009","0.01","90","","3006.2","1","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[{mu~2~-1,5-bis(dimethylstibino)-3-oxapentane}bis{dicarbonyl- (eta^5^-cyclopentadienyl)iron(II)}] bis(tetrafluoroborate)","","- C22 H30 B2 F8 Fe2 O5 Sb2 -","- C22 H30 B2 F8 Fe2 O5 Sb2 -","- C88 H120 B8 F32 Fe8 O20 Sb8 -","4","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.1232","0.0844","","","0.1442","0.1622","","","","","","1.149","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063900","10.5977","0.001","11.799","0.002","16.732","0.003","78.332","0.006","86.814","0.008","85.261","0.008","2040.3","0.5","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","[bis[N-2-(dimethylstibanyl)benzyl]methanamine]- bis(dicarbonyl(cyclopentadienyl)iron(II)) tetrafluoroborate dichloromethane solvate","","- C33.5 H38 B2 Cl F8 Fe2 N O4 Sb2 -","- C33.5 H38 B2 Cl F8 Fe2 N O4 Sb2 -","- C67 H76 B4 Cl2 F16 Fe4 N2 O8 Sb4 -","2","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.1141","0.0843","","","0.169","0.1881","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063901","6.9012","0.001","13.6533","0.0015","18.753","0.003","90","","90","","90","","1767","0.4","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","dicarbonyl(cyclopentadienyl)(dimethyl(phenyl)stibane)iron(II) tetrafluoroborate","","- C15 H16 B F4 Fe O2 Sb -","- C15 H16 B F4 Fe O2 Sb -","- C60 H64 B4 F16 Fe4 O8 Sb4 -","4","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.034","0.0304","","","0.0707","0.0735","","","","","","1.004","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063902","10.481","0.002","12.3341","0.0015","12.37","0.003","88.091","0.01","66.197","0.01","82.102","0.01","1448.8","0.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","dicarbonyl(eta^5^-cyclopentadienyl)[(2-methoxyphenyl)(diphenyl)bismuthine]- iron(II) tetrafluoroborate dichloromethane solvate","","- C26.9 H23.8 B Bi Cl1.8 F4 Fe O3 -","- C26.9 H23.8 B Bi Cl1.8 F4 Fe O3 -","- C53.8 H47.6 B2 Bi2 Cl3.6 F8 Fe2 O6 -","2","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.054","0.0439","","","0.098","0.1031","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063903","8.8273","0.0015","10.494","0.002","15.185","0.003","79.778","0.01","81.18","0.01","80.027","0.015","1352.4","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","dicarbonyl(cyclopentadienyl)(triphenylbismuthane)iron(II) tetrafluoroborate dichloromethane solvate","","- C26 H22 B Bi Cl2 F4 Fe O2 -","- C26 H22 B Bi Cl2 F4 Fe O2 -","- C52 H44 B2 Bi2 Cl4 F8 Fe2 O4 -","2","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.0491","0.0394","","","0.0753","0.0791","","","","","","1.015","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063904","8.5206","0.001","10.4823","0.0012","23.856","0.003","90","","96.247","0.003","90","","2118.1","0.4","223.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cl Ir N2 -","- C25 H26 Cl Ir N2 -","- C100 H104 Cl4 Ir4 N8 -","4","1","","Brewster, Timothy P.; Blakemore, James D.; Schley, Nathan D.; Incarvito, Christopher D.; Hazari, Nilay; Brudvig, Gary W.; Crabtree, Robert H.","An Iridium(IV) Species, [Cp*Ir(NHC)Cl]+, Related to a Water-Oxidation Catalyst","Organometallics","2011","30","5","965","","10.1021/om101016s","","","0.71075","MoKα","","","0.0429","","","","0.0584","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063905","15.6667","0.0006","8.1537","0.0003","18.2629","0.0007","90","","95.956","0.001","90","","2320.34","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O Ti -","- C28 H20 O Ti -","- C112 H80 O4 Ti4 -","4","1","","Song, Zhiyi; Hsieh, Yi-Fang; Kanno, Ken-ichiro; Nakajima, Kiyohiko; Takahashi, Tamotsu","Coupling Reaction of a Cyclopentadienyl Ligand with a Dienyl or Alkenyl Moiety on Titanocene","Organometallics","2011","30","4","844","","10.1021/om101020u","","","0.71075","MoKα","","0.1291","0.0855","","","0.1983","0.2221","","","","","","1.081","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063906","11.5695","0.0001","15.2004","0.0001","17.9373","0.0001","90","","105.22","0.001","90","","3043.83","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 N2 O10 P Ru3 -","- C28 H19 N2 O10 P Ru3 -","- C112 H76 N8 O40 P4 Ru12 -","4","1","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique","Reactivity of [Ru3(CO)12] with a Phosphine-Functionalized Imidazol-2-ylidene and Its Imidazolium Salt","Organometallics","2011","30","4","826","","10.1021/om101021s","","","1.54184","CuKα","","0.0407","0.0374","","","0.1022","0.1084","","","","","","1.045","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063907","14.0159","0.0001","17.3425","0.0002","23.5717","0.0002","90","","90","","90","","5729.59","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H19 N2 O8 P Ru3 -","- C26 H19 N2 O8 P Ru3 -","- C208 H152 N16 O64 P8 Ru24 -","8","1","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique","Reactivity of [Ru3(CO)12] with a Phosphine-Functionalized Imidazol-2-ylidene and Its Imidazolium Salt","Organometallics","2011","30","4","826","","10.1021/om101021s","","","1.54184","CuKα","","0.0246","0.0242","","","0.0631","0.0634","","","","","","1.096","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063908","14.825","0.001","14.825","0.001","41.08","0.003","90","","90","","120","","7819","0.9","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C63 H60 B3 F12 N6 O9 P3 Ru3 -","- C63 H60 B3 F12.015 N6 O9 P3 Ru3 -","- C252 H240 B12 F48.06 N24 O36 P12 Ru12 -","4","0.333333","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique","Reactivity of [Ru3(CO)12] with a Phosphine-Functionalized Imidazol-2-ylidene and Its Imidazolium Salt","Organometallics","2011","30","4","826","","10.1021/om101021s","","","1.54184","CuKα","","0.1186","0.0962","","","0.2796","0.2964","","","","","","1.044","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063909","14.854","0.005","18.898","0.005","17.153","0.005","90","0.005","90","0.005","90","0.005","4815","2","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C51 H41 Cl6 N2 O3 P2 Ru -","- C51 H41 Cl6 N2 O3 P2 Ru -","- C204 H164 Cl24 N8 O12 P8 Ru4 -","4","0.5","","Ghosh, Kaushik; Kumar, Sushil; Kumar, Rajan; Singh, Udai P.; Goel, Nidhi","Photocleavage of Coordinated NO under Visible Light from Two Different Classes of Organometallic Ruthenium Nitrosyl Complexes: Reversible Binding of Phenolato Function","Organometallics","2011","30","9","2498","","10.1021/om101022p","","","0.71073","MoKα","","0.0709","0.0573","","","0.1677","0.1968","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063910","12.637","0.003","13.323","0.003","17.448","0.006","102.666","0.013","98.408","0.013","111.822","0.009","2575.3","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H38 Cl5 N3 O11 P2 Ru -","- C50 H38 Cl5 N3 O11 P2 Ru -","- C100 H76 Cl10 N6 O22 P4 Ru2 -","2","1","","Ghosh, Kaushik; Kumar, Sushil; Kumar, Rajan; Singh, Udai P.; Goel, Nidhi","Photocleavage of Coordinated NO under Visible Light from Two Different Classes of Organometallic Ruthenium Nitrosyl Complexes: Reversible Binding of Phenolato Function","Organometallics","2011","30","9","2498","","10.1021/om101022p","","","0.71073","MoKα","","0.0869","0.0662","","","0.1872","0.217","","","","","","0.937","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063911","10.9154","0.0007","13.5046","0.0008","18.396","0.0011","104.619","0.002","105.312","0.003","90.777","0.003","2521.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H42 Cl2 N4 O10 P2 Ru -","- C50 H42 Cl2 N4 O10 P2 Ru -","- C100 H84 Cl4 N8 O20 P4 Ru2 -","2","1","","Ghosh, Kaushik; Kumar, Sushil; Kumar, Rajan; Singh, Udai P.; Goel, Nidhi","Photocleavage of Coordinated NO under Visible Light from Two Different Classes of Organometallic Ruthenium Nitrosyl Complexes: Reversible Binding of Phenolato Function","Organometallics","2011","30","9","2498","","10.1021/om101022p","","","0.71073","MoKα","","0.0865","0.0587","","","0.1725","0.1994","","","","","","1.208","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063912","29.3095","0.0006","11.2676","0.0002","8.6835","0.0002","90","","98.124","0.001","90","","2838.93","0.1","100","2","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 O8 P2 -","- C28 H40 O8 P2 -","- C112 H160 O32 P8 -","4","0.5","","Mikhel, Igor S.; Garland, Michael; Hopewell, Jonathan; Mastroianni, Sergio; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Cage Phosphinites: Ligands for Efficient Nickel-Catalyzed Hydrocyanation of 3-Pentenenitrile","Organometallics","2011","30","5","974","","10.1021/om101023e","","x-ray","0.71074","MoKα","","0.0334","0.0312","","","0.0825","0.0845","","","","","","1.041","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063913","14.108","0.0002","15.8501","0.0002","15.4503","0.0002","90","","100.002","0.001","90","","3402.38","0.08","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl2 O8 P2 Pt -","- C32 H42 Cl2 O8 P2 Pt -","- C128 H168 Cl8 O32 P8 Pt4 -","4","1","","Mikhel, Igor S.; Garland, Michael; Hopewell, Jonathan; Mastroianni, Sergio; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Cage Phosphinites: Ligands for Efficient Nickel-Catalyzed Hydrocyanation of 3-Pentenenitrile","Organometallics","2011","30","5","974","","10.1021/om101023e","","x-ray","0.71074","MoKα","","0.0295","0.0213","","","0.0436","0.0464","","","","","","1.061","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063914","8","0.0005","8.1461","0.0003","11.6829","0.0004","78.089","0.001","89.252","0.003","65.709","0.003","676.81","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H19 Cl O4 P Pt0.5 -","- C11 H19 Cl O4 P Pt0.5 -","- C22 H38 Cl2 O8 P2 Pt -","2","1","","Mikhel, Igor S.; Garland, Michael; Hopewell, Jonathan; Mastroianni, Sergio; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Cage Phosphinites: Ligands for Efficient Nickel-Catalyzed Hydrocyanation of 3-Pentenenitrile","Organometallics","2011","30","5","974","","10.1021/om101023e","","x-ray","0.71074","MoKα","","0.071","0.0517","","","0.1248","0.1454","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063915","8.3113","0.0003","12.5839","0.0004","16.0749","0.0005","73.038","0.002","80.484","0.002","81.151","0.002","1576.02","0.09","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cl2 F6 O8 P2 Pt -","- C24 H36 Cl2 F6 O8 P2 Pt -","- C48 H72 Cl4 F12 O16 P4 Pt2 -","2","1","","Mikhel, Igor S.; Garland, Michael; Hopewell, Jonathan; Mastroianni, Sergio; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Cage Phosphinites: Ligands for Efficient Nickel-Catalyzed Hydrocyanation of 3-Pentenenitrile","Organometallics","2011","30","5","974","","10.1021/om101023e","","x-ray","0.71074","MoKα","","0.0387","0.0265","","","0.059","0.0629","","","","","","1.085","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063916","13.6458","0.0005","18.4717","0.0007","15.8687","0.0007","90","","111.651","0.003","90","","3717.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl6 O8 P2 Pt -","- C30 H44 Cl6 O8 P2 Pt -","- C120 H176 Cl24 O32 P8 Pt4 -","4","1","","Mikhel, Igor S.; Garland, Michael; Hopewell, Jonathan; Mastroianni, Sergio; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Cage Phosphinites: Ligands for Efficient Nickel-Catalyzed Hydrocyanation of 3-Pentenenitrile","Organometallics","2011","30","5","974","","10.1021/om101023e","","x-ray","0.71074","MoKα","","0.0814","0.0533","","","0.1344","0.1519","","","","","","1.048","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063917","11.489","0.004","11.686","0.003","17.003","0.008","93.92","0.02","103.44","0.03","114.257","0.017","1989.4","1.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H115 Ni2 O16 P4 -","- C42.5 H57.5 Ni O8 P2 -","- C85 H115 Ni2 O16 P4 -","2","1","","Mikhel, Igor S.; Garland, Michael; Hopewell, Jonathan; Mastroianni, Sergio; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Cage Phosphinites: Ligands for Efficient Nickel-Catalyzed Hydrocyanation of 3-Pentenenitrile","Organometallics","2011","30","5","974","","10.1021/om101023e","","x-ray","0.71074","MoKα","","0.2156","0.0759","","","0.1665","0.2141","","","","","","0.916","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063918","11.1573","0.0003","10.3737","0.0003","28.4376","0.0007","90","","97.465","0.002","90","","3263.54","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","kms239","kms239","","- C35 H44 Ir N4 P -","- C35 H44 Ir N4 P -","- C140 H176 Ir4 N16 P4 -","4","1","","Schultz, Katherine M.; Goldberg, Karen I.; Gusev, Dmitry G.; Heinekey, D. Michael","Synthesis, Structure, and Reactivity of Iridium NHC Pincer Complexes","Organometallics","2011","30","6","1429","","10.1021/om101024x","","","0.71073","MoKα","","0.0741","0.0389","","","0.0596","0.0677","","","","","","1.01","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063919","7.9882","0.0002","21.6841","0.0006","20.0752","0.0005","90","","90.149","0.001","90","","3477.35","0.16","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","kms231","kms231","","- C34 H37 Cl6 Ir N4 -","- C34 H37 Cl6 Ir N4 -","- C136 H148 Cl24 Ir4 N16 -","4","1","","Schultz, Katherine M.; Goldberg, Karen I.; Gusev, Dmitry G.; Heinekey, D. Michael","Synthesis, Structure, and Reactivity of Iridium NHC Pincer Complexes","Organometallics","2011","30","6","1429","","10.1021/om101024x","","","0.71073","MoKα","","0.0438","0.0363","","","0.0796","0.0859","","","","","","1.11","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063920","14.7978","0.0005","12.7849","0.0005","17.8839","0.0007","90","","94.236","0.001","90","","3374.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Al Cl4 Mo O3 P -","- C30 H32 Al Cl4 Mo O3 P -","- C120 H128 Al4 Cl16 Mo4 O12 P4 -","4","1","","Rajagopalan, Rakesh A.; Sterenberg, Brian T.","Formation and Reactivity of a Transient Cationic Alkyl Phosphinidene Complex","Organometallics","2011","30","11","2933","","10.1021/om101025c","","","0.71073","MoKα","","0.0314","0.0289","","","0.077","0.0791","","","","","","1.031","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063921","16.5644","0.001","17.784","0.001","25.9283","0.0015","90","","90","","90","","7638","0.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H37 Al Cl4 Mo O3 P2 -","- C34 H37 Al Cl4 Mo O3 P2 -","- C272 H296 Al8 Cl32 Mo8 O24 P16 -","8","1","","Rajagopalan, Rakesh A.; Sterenberg, Brian T.","Formation and Reactivity of a Transient Cationic Alkyl Phosphinidene Complex","Organometallics","2011","30","11","2933","","10.1021/om101025c","","","0.71073","MoKα","","0.0309","0.027","","","0.0714","0.0752","","","","","","1.043","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063922","13.8337","0.0015","14.3943","0.0016","18.364","0.002","90","","111.418","0.001","90","","3404.2","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Al Cl4 Mo O3 P Si -","- C28 H34 Al Cl4 Mo O3 P Si -","- C112 H136 Al4 Cl16 Mo4 O12 P4 Si4 -","4","1","","Rajagopalan, Rakesh A.; Sterenberg, Brian T.","Formation and Reactivity of a Transient Cationic Alkyl Phosphinidene Complex","Organometallics","2011","30","11","2933","","10.1021/om101025c","","","0.71073","MoKα","","0.0605","0.0563","","","0.1825","0.1847","","","","","","1.232","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063923","13.3792","0.0003","18.2803","0.0004","15.8979","0.0003","90","","109.278","0.01","90","","3670.2","0.3","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 B10 Mo P2 -","- C37 H42 B10 Mo P2 -","- C148 H168 B40 Mo4 P8 -","4","1","","Brown, Neil J.; Lancashire, Hannah N.; Fox, Mark A.; Collison, David; Edge, Ruth; Yufit, Dmitry S.; Howard, Judith A. K.; Whiteley, Mark W.; Low, Paul J.","Molybdenum Complexes ofC,C-Bis(ethynyl)carboranes: Design, Synthesis, and Study of a Weakly Coupled Mixed-Valence Compound","Organometallics","2011","30","4","884","","10.1021/om1010353","","","0.71073","MoKα","","0.0567","0.0384","","","0.0976","0.106","","","","","","1.039","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063924","8.5751","0.0003","38.3827","0.0015","12.0345","0.0005","90","","99.118","0.01","90","","3910.9","0.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H80 B10 Cl8 Mo2 P4 -","- C76 H80 B10 Cl8 Mo2 P4 -","- C152 H160 B20 Cl16 Mo4 P8 -","2","0.5","","Brown, Neil J.; Lancashire, Hannah N.; Fox, Mark A.; Collison, David; Edge, Ruth; Yufit, Dmitry S.; Howard, Judith A. K.; Whiteley, Mark W.; Low, Paul J.","Molybdenum Complexes ofC,C-Bis(ethynyl)carboranes: Design, Synthesis, and Study of a Weakly Coupled Mixed-Valence Compound","Organometallics","2011","30","4","884","","10.1021/om1010353","","x-ray","0.71073","MOKα","K-L~3~","0.055","0.0421","","","0.0891","0.0944","","","","","","1.037","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063925","20.297","0.006","12.578","0.003","27.358","0.007","90","","98.985","0.004","90","","6899","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 F12 N8 O21 Pd4 S4 -","- C60 H46 F12 N8 O21 Pd4 S4 -","- C240 H184 F48 N32 O84 Pd16 S16 -","4","1","","Pearson, David M.; Conley, Nicholas R.; Waymouth, Robert M.","Oxidatively Resistant Ligands for Palladium-Catalyzed Aerobic Alcohol Oxidation","Organometallics","2011","30","6","1445","","10.1021/om101037k","","","0.71073","MoKα","","0.0574","0.0432","","","0.1018","0.108","","","","","","1.01","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063926","8.7061","0.0009","12.799","0.0012","13.5092","0.0013","107.23","0.002","100.385","0.002","102.965","0.002","1351","0.2","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H15 F9 N4 O6 Pd S2 -","- C20 H15 F9 N4 O6 Pd S2 -","- C40 H30 F18 N8 O12 Pd2 S4 -","2","1","","Pearson, David M.; Conley, Nicholas R.; Waymouth, Robert M.","Oxidatively Resistant Ligands for Palladium-Catalyzed Aerobic Alcohol Oxidation","Organometallics","2011","30","6","1445","","10.1021/om101037k","","","0.71073","MoKα","","0.0565","0.0376","","","0.0901","0.1","","","","","","1.008","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063927","7.837","0.0016","12.144","0.002","16.824","0.003","90","","102.423","0.002","90","","1563.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F N2 O3 Pd -","- C20 H13 F N2 O3 Pd -","- C80 H52 F4 N8 O12 Pd4 -","4","1","","Pearson, David M.; Conley, Nicholas R.; Waymouth, Robert M.","Oxidatively Resistant Ligands for Palladium-Catalyzed Aerobic Alcohol Oxidation","Organometallics","2011","30","6","1445","","10.1021/om101037k","","","0.71073","MoKα","","0.0433","0.0297","","","0.0631","0.0682","","","","","","1.027","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063928","6.5952","0.0014","12.156","0.003","14.847","0.003","102.481","0.004","99.258","0.002","105.172","0.003","1091.4","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H13 Cl F5 N3 O3 Pd S -","- C21 H13 Cl F5 N3 O3 Pd S -","- C42 H26 Cl2 F10 N6 O6 Pd2 S2 -","2","1","","Pearson, David M.; Conley, Nicholas R.; Waymouth, Robert M.","Oxidatively Resistant Ligands for Palladium-Catalyzed Aerobic Alcohol Oxidation","Organometallics","2011","30","6","1445","","10.1021/om101037k","","","0.71073","MoKα","","0.0634","0.0492","","","0.1213","0.1325","","","","","","1.049","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063929","9.3036","0.0004","11.6115","0.0004","13.8205","0.0005","79.648","0.002","82.939","0.002","68.761","0.002","1366.22","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Cl N4 Pd -","- C31 H29 Cl N4 Pd -","- C62 H58 Cl2 N8 Pd2 -","2","1","","Tskhovrebov, Alexander G.; Luzyanin, Konstantin V.; Kuznetsov, Maxim L.; Sorokoumov, Viktor N.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Substituent R-Dependent Regioselectivity Switch in Nucleophilic Addition ofN-Phenylbenzamidine to PdII- and PtII-Complexed Isonitrile RN≡C Giving Aminocarbene-Like Species","Organometallics","2011","30","4","863","","10.1021/om101041g","","","0.71073","MoKα","","0.0437","0.0313","","","0.0652","0.0698","","","","","","1.056","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063930","9.3396","0.0003","11.6148","0.0004","13.8329","0.0004","79.202","0.002","82.366","0.002","68.791","0.002","1370.68","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Cl N4 Pt -","- C31 H29 Cl N4 Pt -","- C62 H58 Cl2 N8 Pt2 -","2","1","","Tskhovrebov, Alexander G.; Luzyanin, Konstantin V.; Kuznetsov, Maxim L.; Sorokoumov, Viktor N.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Substituent R-Dependent Regioselectivity Switch in Nucleophilic Addition ofN-Phenylbenzamidine to PdII- and PtII-Complexed Isonitrile RN≡C Giving Aminocarbene-Like Species","Organometallics","2011","30","4","863","","10.1021/om101041g","","","0.71073","MoKα","","0.032","0.0262","","","0.0612","0.0637","","","","","","1.074","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063931","12.1049","0.0015","22.395","0.003","10.5573","0.0012","90","","96.272","0.011","90","","2844.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Cl N5 Pd -","- C31 H32 Cl N5 Pd -","- C124 H128 Cl4 N20 Pd4 -","4","1","","Tskhovrebov, Alexander G.; Luzyanin, Konstantin V.; Kuznetsov, Maxim L.; Sorokoumov, Viktor N.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Substituent R-Dependent Regioselectivity Switch in Nucleophilic Addition ofN-Phenylbenzamidine to PdII- and PtII-Complexed Isonitrile RN≡C Giving Aminocarbene-Like Species","Organometallics","2011","30","4","863","","10.1021/om101041g","","","0.71073","MoKα","","0.0529","0.0348","","","0.07","0.076","","","","","","1.034","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063932","13.8558","0.0008","16.678","0.001","18.8382","0.0011","90","","109.202","0.001","90","","4111.1","0.4","99","2","99","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H64 Mg N8 O2 P2 Si2 -","- C30 H64 Mg N8 O2 P2 Si2 -","- C120 H256 Mg4 N32 O8 P8 Si8 -","4","1","","Torvisco, Ana; Ruhlandt-Senge, Karin","Ligand and Coligand Effects on Ion Association in Magnesium Amides","Organometallics","2011","30","5","986","","10.1021/om101045b","","","0.71073","MoKα","","0.0501","0.0419","","","0.1236","0.1304","","","","","","0.996","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063933","11.691","0.008","11.691","0.008","34.74","0.03","90","","90","","90","","4748","6","97","2","97","2","","","","","","","","7","P 41 2 2","P 4w 2c","91","","","","- C36 H76 Mg N8 O2 P2 Si2 -","- C36 H76 Mg N8 O2 P2 Si2 -","- C144 H304 Mg4 N32 O8 P8 Si8 -","4","0.5","","Torvisco, Ana; Ruhlandt-Senge, Karin","Ligand and Coligand Effects on Ion Association in Magnesium Amides","Organometallics","2011","30","5","986","","10.1021/om101045b","","","0.71073","MoKα","","0.0893","0.0577","","","0.1159","0.1303","","","","","","0.911","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063934","11.415","0.002","21.724","0.004","12.806","0.003","90","","100.03","0.03","90","","3127.1","1.1","96","2","96","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H106 Mg N11 O3 P3 Si2 -","- C48 H106 Mg N11 O3 P3 Si2 -","- C96 H212 Mg2 N22 O6 P6 Si4 -","2","1","","Torvisco, Ana; Ruhlandt-Senge, Karin","Ligand and Coligand Effects on Ion Association in Magnesium Amides","Organometallics","2011","30","5","986","","10.1021/om101045b","","","0.71073","MoKα","","0.0653","0.057","","","0.1311","0.1354","","","","","","1.077","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063935","9.4039","0.0006","11.5196","0.0008","14.5409","0.0012","73.879","0.011","71.568","0.01","69.711","0.011","1376.5","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H43 N2 Sc Si4 -","- C18 H43 N2 Sc Si4 -","- C36 H86 N4 Sc2 Si8 -","2","1","","Luo, Yunjie; Feng, Xiaoying; Wang, Yibin; Fan, Shimin; Chen, Jue; Lei, Yinlin; Liang, Hongze","Half-Sandwich Scandium Bis(amide) Complexes as Efficient Catalyst Precursors for Syndiospecific Polymerization of Styrene","Organometallics","2011","30","12","3270","","10.1021/om101047h","","","0.71075","MoKα","","0.0727","0.062","","","0.1799","0.1879","","","","","","1.106","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063936","12.264","0.002","18.909","0.004","13.251","0.002","90","","90","","90","","3072.9","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H51 N2 Sc Si4 -","- C22 N2 Sc Si4 -","- C88 N8 Sc4 Si16 -","4","0.5","","Luo, Yunjie; Feng, Xiaoying; Wang, Yibin; Fan, Shimin; Chen, Jue; Lei, Yinlin; Liang, Hongze","Half-Sandwich Scandium Bis(amide) Complexes as Efficient Catalyst Precursors for Syndiospecific Polymerization of Styrene","Organometallics","2011","30","12","3270","","10.1021/om101047h","","","0.7107","MoKα","","0.141","0.1303","","","0.3439","0.3525","","","","","","1.24","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063937","9.7864","0.0011","10.5601","0.0014","13.801","0.003","85.161","0.019","78.719","0.017","65.44","0.013","1272.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H41 Al N Sc Si2 -","- C18 H41 Al N Sc Si2 -","- C36 H82 Al2 N2 Sc2 Si4 -","2","1","","Luo, Yunjie; Feng, Xiaoying; Wang, Yibin; Fan, Shimin; Chen, Jue; Lei, Yinlin; Liang, Hongze","Half-Sandwich Scandium Bis(amide) Complexes as Efficient Catalyst Precursors for Syndiospecific Polymerization of Styrene","Organometallics","2011","30","12","3270","3274","10.1021/om101047h","","","0.7107","MoKα","","0.1067","0.0825","","","0.1761","0.1889","","","","","","1.176","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063938","8.5774","0.0006","9.3032","0.0005","13.0773","0.0007","86.17","0.002","88.963","0.003","85.364","0.003","1037.71","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 F3 O7 Os S -","- C17 H19 F3 O7 Os S -","- C34 H38 F6 O14 Os2 S2 -","2","1","","Young, Kenneth J. H.; Mironov, Oleg A.; Nielsen, Robert J.; Cheng, Mu-Jeng; Stewart, Timothy; Goddard, William A.; Periana, Roy A.","Synthesis and Characterization of the κ2-acac-O,OComplex OsIV(acac)2PhCl and Study of CH Activation with Benzene","Organometallics","2011","30","19","5088","","10.1021/om1010512","","","0.71073","MoKα","","0.0434","0.0348","","","0.0743","0.0771","","","","","","1.005","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063939","14.3554","0.0005","12.3124","0.0004","14.8419","0.0005","90","","111.26","0.01","90","","2444.8","0.2","120","0.2","120","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Cl O P3 Ru -","- C19 H36 Cl O P3 Ru -","- C76 H144 Cl4 O4 P12 Ru4 -","4","1","","Man, Wing Y.; Xia, Jian-Long; Brown, Neil J.; Farmer, Julian D.; Yufit, Dmitry S.; Howard, Judith A. K.; Liu, Sheng Hua; Low, Paul J.","Spectroscopic and Computational Studies of the Ligand Redox Non-Innocence in Mono- and Binuclear Ruthenium Vinyl Complexes","Organometallics","2011","30","7","1852","","10.1021/om1010534","","","0.71073","Mo-Kα","","0.0384","0.0352","","","0.0913","0.0933","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063940","55.2276","0.0011","9.4525","0.0002","21.2707","0.0004","90","","106.95","0.01","90","","10621.8","0.7","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H68 Cl8 O2 P6 Ru2 -","- C33 H68 Cl8 O2 P6 Ru2 -","- C264 H544 Cl64 O16 P48 Ru16 -","8","1","","Man, Wing Y.; Xia, Jian-Long; Brown, Neil J.; Farmer, Julian D.; Yufit, Dmitry S.; Howard, Judith A. K.; Liu, Sheng Hua; Low, Paul J.","Spectroscopic and Computational Studies of the Ligand Redox Non-Innocence in Mono- and Binuclear Ruthenium Vinyl Complexes","Organometallics","2011","30","7","1852","","10.1021/om1010534","","","0.71073","Mo-Kα","","0.0624","0.0568","","","0.1253","0.1277","","","","","","1.015","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063941","13.504","0.003","9.4133","0.0019","16.435","0.003","90","","105.77","0.004","90","","2010.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Fe O3 -","- C25 H28 Fe O3 -","- C100 H112 Fe4 O12 -","4","1","","Minegishi, Shinya; Komatsu, Koichi; Kitagawa, Toshikazu","Cyclobutadieneiron Tricarbonyl Annelated with Homoadamantene Frameworks","Organometallics","2011","30","5","1002","","10.1021/om101054d","","","0.71073","MoKα","","0.043","0.0332","","","0.0764","0.0792","","","","","","1.006","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063942","13.2556","0.0017","11.704","0.0016","15.561","0.002","90","","90.221","0.002","90","","2414.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 F6 Fe N O3 Sb -","- C24 H28 F6 Fe N O3 Sb -","- C96 H112 F24 Fe4 N4 O12 Sb4 -","4","1","","Minegishi, Shinya; Komatsu, Koichi; Kitagawa, Toshikazu","Cyclobutadieneiron Tricarbonyl Annelated with Homoadamantene Frameworks","Organometallics","2011","30","5","1002","","10.1021/om101054d","","","0.71073","MoKα","","0.0404","0.0279","","","0.0547","0.0567","","","","","","1.004","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063943","12.54","0.003","14.801","0.003","32.631","0.007","90","","95.88","0.03","90","","6025","2","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C75 H60 Cl2 Fe N2 O2 P2 Pt2 -","- C75 H60 Cl2 Fe N2 O2 P2 Pt2 -","- C300 H240 Cl8 Fe4 N8 O8 P8 Pt8 -","4","0.5","","Nabavizadeh, S. Masoud; Amini, Hashem; Shahsavari, Hamid R.; Namdar, Masoud; Rashidi, Mehdi; Kia, Reza; Hemmateenejad, Bahram; Nekoeinia, Mohsen; Ariafard, Alireza; Hosseini, Fatemeh Niroomand; Gharavi, Alireza; Khalafi-Nezhad, Ali; Sharbati, Mohammad Taghi; Panahi, Farhad","Assembly of Cyclometalated Platinum(II) Complexes via 1,1′-Bis(diphenylphosphino)ferrocene Ligand: Kinetics and Mechanisms","Organometallics","2011","30","6","1466","","10.1021/om101055n","","","0.71073","MoKα","","0.0855","0.059","","","0.1369","0.1529","","","","","","1.056","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063944","10.2206","0.0006","12.7553","0.0008","17.9496","0.0011","90","","102.427","0.001","90","","2285.2","0.2","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 1","","","- C14 H20 Ag F6 N5 O4 S2 -","- C14 H20 Ag F6 N5 O4 S2 -","- C56 H80 Ag4 F24 N20 O16 S8 -","4","1","","Hintermair, Ulrich; Englert, Ulli; Leitner, Walter","Distinct Reactivity of Mono- and Bis-NHC Silver Complexes: Carbene Donors versus Carbene‒Halide Exchange Reagents","Organometallics","2011","30","14","3726","","10.1021/om101056y","","","0.71073","MoKα","","0.0506","0.0376","","","0.0818","0.0871","","","","","","0.999","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063945","13.39","0.003","15.845","0.003","16.593","0.003","90","","126.612","0.012","90","","2825.8","1.1","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 6b","","","- C22 H32 F6 Ir N5 O4 S2 -","- C22 H32 F6 Ir N5 O4 S2 -","- C88 H128 F24 Ir4 N20 O16 S8 -","4","1","","Hintermair, Ulrich; Englert, Ulli; Leitner, Walter","Distinct Reactivity of Mono- and Bis-NHC Silver Complexes: Carbene Donors versus Carbene‒Halide Exchange Reagents","Organometallics","2011","30","14","3726","","10.1021/om101056y","","","0.71073","MoKα","","0.0707","0.0465","","","0.1033","0.1116","","","","","","0.99","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063946","12.4567","0.0002","15.8378","0.0003","17.4139","0.0004","90","","91.5986","0.0007","90","","3434.19","0.12","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Au B Cl2 F4 N3 -","- C31 H35 Au B Cl2 F4 N3 -","- C124 H140 Au4 B4 Cl8 F16 N12 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Levi, Carlo; Bertolasi, Valerio","Synthesis and Mechanism of Formation of Novel NHC−NAC Bis-Carbene Complexes of Gold(I)","Organometallics","2011","30","4","875","","10.1021/om101057q","","","0.71073","MoKα","","0.0615","0.0426","","","0.111","0.1204","","","","","","1.039","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063947","13.7923","0.0004","21.4354","0.0008","24.0185","0.001","90","","90","","90","","7100.9","0.4","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H44 Au B F4 N4 -","- C35 H44 Au B F4 N4 -","- C280 H352 Au8 B8 F32 N32 -","8","1","","Canovese, Luciano; Visentin, Fabiano; Levi, Carlo; Bertolasi, Valerio","Synthesis and Mechanism of Formation of Novel NHC−NAC Bis-Carbene Complexes of Gold(I)","Organometallics","2011","30","4","875","","10.1021/om101057q","","","0.71073","MoKα","","0.0862","0.0448","","","0.0942","0.1051","","","","","","1.035","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063948","14.3828","0.0004","14.3828","0.0004","41.675","0.003","90","","90","","120","","7466.1","0.6","110","2","110","","","","","","","","synthesis as described","6","P 31 2 1","P 31 2""","152","","","","- C52 H48 Cl N2 P4 Ru -","- C52 H48 Cl N2 P4 Ru -","- C312 H288 Cl6 N12 P24 Ru6 -","6","1","","Dyer, Hellen; Picot, Alexandre; Vendier, Laure; Auffrant, Audrey; Le Floch, Pascal; Sabo-Etienne, Sylviane","Tridentate and Tetradentate Iminophosphorane-Based Ruthenium Complexes in Catalytic Transfer Hydrogenation of Ketones","Organometallics","2011","30","6","1478","","10.1021/om101058m","","","0.71073","MoKα","","0.0517","0.0482","","","0.1159","0.1175","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063949","11.515","0.002","17.723","0.004","22.221","0.005","90.634","0.015","99.27","0.016","102.486","0.014","4364.8","1.6","110","2","110","","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C92 H80 B Cl F24 N2 P4 Ru -","- C92 H80 B Cl F24 N2 P4 Ru -","- C184 H160 B2 Cl2 F48 N4 P8 Ru2 -","2","1","","Dyer, Hellen; Picot, Alexandre; Vendier, Laure; Auffrant, Audrey; Le Floch, Pascal; Sabo-Etienne, Sylviane","Tridentate and Tetradentate Iminophosphorane-Based Ruthenium Complexes in Catalytic Transfer Hydrogenation of Ketones","Organometallics","2011","30","6","1478","","10.1021/om101058m","","","0.71073","MoKα","","0.0725","0.043","","","0.0879","0.1053","","","","","","1.051","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063950","10.307","0.005","11.045","0.005","11.929","0.005","98.99","0.005","108.537","0.005","101.074","0.005","1228.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl4 N2 O Zr -","- C24 H22 Cl4 N2 O Zr -","- C48 H44 Cl8 N4 O2 Zr2 -","2","1","","Hu, Ping; Wang, Fosong; Jin, Guo-Xin","Syntheses, Characterization, and Ethylene Polymerization of Half-Sandwich Zirconium Complexes with Tridentate Imino−Quinolinol Ligands","Organometallics","2011","30","5","1008","","10.1021/om101059v","","","0.71073","MoKα","","0.065","0.0433","","","0.1012","0.1076","","","","","","0.915","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063951","18.044","0.006","18.416","0.006","20.995","0.006","88.956","0.005","84.443","0.005","61.373","0.004","6092","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H32 Cl2 N2 O Zr -","- C30.5 H32 Cl2 N2 O Zr -","- C244 H256 Cl16 N16 O8 Zr8 -","8","4","","Hu, Ping; Wang, Fosong; Jin, Guo-Xin","Syntheses, Characterization, and Ethylene Polymerization of Half-Sandwich Zirconium Complexes with Tridentate Imino−Quinolinol Ligands","Organometallics","2011","30","5","1008","","10.1021/om101059v","","","0.71073","MoKα","","0.1662","0.06","","","0.1079","0.1246","","","","","","0.802","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063952","10.6265","0.001","18.6896","0.0018","15.3245","0.0015","90","","99.179","0.002","90","","3004.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cl2 N2 O Zr -","- C32 H38 Cl2 N2 O Zr -","- C128 H152 Cl8 N8 O4 Zr4 -","4","1","","Hu, Ping; Wang, Fosong; Jin, Guo-Xin","Syntheses, Characterization, and Ethylene Polymerization of Half-Sandwich Zirconium Complexes with Tridentate Imino−Quinolinol Ligands","Organometallics","2011","30","5","1008","","10.1021/om101059v","","","0.71073","MoKα","","0.0709","0.044","","","0.118","0.1353","","","","","","1.047","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063953","6.1365","0.0001","9.8469","0.0002","13.4415","0.0003","72.2309","0.0009","79.1741","0.001","75.0332","0.001","741.96","0.03","298.1","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H48 Os P2 -","- C32 H48 Os P2 -","- C32 H48 Os P2 -","1","0.5","","Ogasawara, Masamichi; Shintani, Minoru; Watanabe, Susumu; Sakamoto, Takeshi; Nakajima, Kiyohiko; Takahashi, Tamotsu","Preparation of Osmium η5-Phospholide Complexes and Their Reactions with Acyl Electrophiles: C═O Bond Cleavage and C−C Bond Formation within the Metal Coordination Sphere","Organometallics","2011","30","6","1487","","10.1021/om101060n","","","0.71075","MoKα","","","0.0199","","","","0.0418","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063954","12.1843","0.0009","20.2214","0.0015","13.8982","0.001","90","","109.942","0.0016","90","","3219","0.4","298.1","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H50 O Os P2 -","- C34 H50 O Os P2 -","- C136 H200 O4 Os4 P8 -","4","1","","Ogasawara, Masamichi; Shintani, Minoru; Watanabe, Susumu; Sakamoto, Takeshi; Nakajima, Kiyohiko; Takahashi, Tamotsu","Preparation of Osmium η5-Phospholide Complexes and Their Reactions with Acyl Electrophiles: C═O Bond Cleavage and C−C Bond Formation within the Metal Coordination Sphere","Organometallics","2011","30","6","1487","","10.1021/om101060n","","","0.71075","MoKα","","","0.0472","","","","0.0967","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063955","10.7091","0.0002","25.2803","0.0005","12.6928","0.0002","90","","102.921","0.0007","90","","3349.3","0.11","298.1","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 O2 Os P2 -","- C36 H52 O2 Os P2 -","- C144 H208 O8 Os4 P8 -","4","1","","Ogasawara, Masamichi; Shintani, Minoru; Watanabe, Susumu; Sakamoto, Takeshi; Nakajima, Kiyohiko; Takahashi, Tamotsu","Preparation of Osmium η5-Phospholide Complexes and Their Reactions with Acyl Electrophiles: C═O Bond Cleavage and C−C Bond Formation within the Metal Coordination Sphere","Organometallics","2011","30","6","1487","","10.1021/om101060n","","","0.71075","MoKα","","","0.0457","","","","0.0962","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063956","7.7777","0.0007","13.2903","0.0012","15.242","0.0013","95.693","0.007","97.602","0.007","90.944","0.008","1553.3","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Mo2Cp2(μ-Cl)2(μ-SMe)2","","","- C12 H16 Cl2 Mo2 S2 -","- C12 H16 Cl2 Mo2 S2 -","- C48 H64 Cl8 Mo8 S8 -","4","2","","Ojo, Wilfried-Solo; McGrady, John E.; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean","Thermal Generation and Structures of the Unsaturated Doubly Bridged Complex [Mo2Cp2Cl2(μ-SMe)2] and Its Quadruply Bridged Isomer [Mo2Cp2(μ-Cl)2(μ-SMe)2]","Organometallics","2011","30","3","649","","10.1021/om101061y","","x-ray","0.71073","MoKα","","0.1028","0.0611","","","0.1138","0.1341","","","","","","1.006","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4063957","7.9955","0.0003","14.5964","0.0005","13.7702","0.0004","90","","102.56","0.003","90","","1568.6","0.09","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mo2Cp2Cl2(μ-SMe)2","","","- C12 H16 Cl2 Mo2 S2 -","- C12 H16 Cl2 Mo2 S2 -","- C48 H64 Cl8 Mo8 S8 -","4","1","","Ojo, Wilfried-Solo; McGrady, John E.; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean","Thermal Generation and Structures of the Unsaturated Doubly Bridged Complex [Mo2Cp2Cl2(μ-SMe)2] and Its Quadruply Bridged Isomer [Mo2Cp2(μ-Cl)2(μ-SMe)2]","Organometallics","2011","30","3","649","","10.1021/om101061y","","x-ray","0.71073","MoKα","","0.023","0.0167","","","0.0385","0.0394","","","","","","0.98","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4063958","11.7396","0.0002","18.1629","0.0003","22.0002","0.0003","90","","105.092","0.001","90","","4529.2","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H71 N4 O Si2 Sr -","- C41 H71 N4 O Si2 Sr -","- C164 H284 N16 O4 Si8 Sr4 -","4","1","","Arrowsmith, Merle; Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; Kociok-Köhn, Gabriele; Procopiou, Panayiotis A.","Cation Charge Density and Precatalyst Selection in Group 2-Catalyzed Aminoalkene Hydroamination","Organometallics","2011","30","6","1493","","10.1021/om101063m","","","0.71073","MoKα","","0.0521","0.0329","","","0.0724","0.08","","","","","","1.013","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063959","22.64","0.008","14.574","0.005","8.274","0.003","90","","91.073","0.004","90","","2729.6","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl Ir N O -","- C34 H31 Cl Ir N O -","- C136 H124 Cl4 Ir4 N4 O4 -","4","1","","Han, Ying-Feng; Li, Hao; Hu, Ping; Jin, Guo-Xin","Alkyne Insertion Induced Regiospecific C−H Activation with [Cp*MCl2]2(M = Ir, Rh)","Organometallics","2011","30","4","905","","10.1021/om101064v","","","0.71073","MoKα","","0.0509","0.0348","","","0.0723","0.0759","","","","","","0.905","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063960","9.973","0.006","10.275","0.006","29.524","0.017","90","","93.323","0.007","90","","3020","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H32 Cl2 Ir N -","- C37.5 H31 Cl2 Ir N -","- C150 H124 Cl8 Ir4 N4 -","4","1","","Han, Ying-Feng; Li, Hao; Hu, Ping; Jin, Guo-Xin","Alkyne Insertion Induced Regiospecific C−H Activation with [Cp*MCl2]2(M = Ir, Rh)","Organometallics","2011","30","4","905","","10.1021/om101064v","","","0.71073","MoKα","","0.0818","0.0616","","","0.1508","0.1606","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063961","11.353","0.004","12.074","0.004","13.776","0.005","79.535","0.004","87.661","0.005","84.908","0.004","1849","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl2 Ir N O4 -","- C44 H38 Cl2 Ir N O4 -","- C88 H76 Cl4 Ir2 N2 O8 -","2","1","","Han, Ying-Feng; Li, Hao; Hu, Ping; Jin, Guo-Xin","Alkyne Insertion Induced Regiospecific C−H Activation with [Cp*MCl2]2(M = Ir, Rh)","Organometallics","2011","30","4","905","","10.1021/om101064v","","","0.71073","MoKα","","0.0439","0.0369","","","0.0863","0.0881","","","","","","0.996","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063962","11.036","0.003","11.88","0.003","15.048","0.004","99.198","0.004","107.805","0.004","109.725","0.004","1690.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H38 Ir N O4 -","- C43 H38 Ir N O4 -","- C86 H76 Ir2 N2 O8 -","2","1","","Han, Ying-Feng; Li, Hao; Hu, Ping; Jin, Guo-Xin","Alkyne Insertion Induced Regiospecific C−H Activation with [Cp*MCl2]2(M = Ir, Rh)","Organometallics","2011","30","4","905","","10.1021/om101064v","","","0.71073","MoKα","","0.0665","0.0409","","","0.0542","0.0585","","","","","","0.753","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063963","21.05","0.03","15.75","0.02","25.05","0.04","90","","110.63","0.02","90","","7772","19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Cl Ir N -","- C45 H37 Cl Ir N -","- C360 H296 Cl8 Ir8 N8 -","8","2","","Han, Ying-Feng; Li, Hao; Hu, Ping; Jin, Guo-Xin","Alkyne Insertion Induced Regiospecific C−H Activation with [Cp*MCl2]2(M = Ir, Rh)","Organometallics","2011","30","4","905","","10.1021/om101064v","","","0.71073","MoKα","","0.1091","0.0441","","","0.0876","0.0986","","","","","","0.716","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063964","9.528","0.003","10.799","0.004","12.613","0.004","70.947","0.004","89.214","0.004","76.328","0.004","1189.1","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H21 N O4 -","- C33 H21 N O4 -","- C66 H42 N2 O8 -","2","1","","Han, Ying-Feng; Li, Hao; Hu, Ping; Jin, Guo-Xin","Alkyne Insertion Induced Regiospecific C−H Activation with [Cp*MCl2]2(M = Ir, Rh)","Organometallics","2011","30","4","905","","10.1021/om101064v","","","0.71073","MoKα","","0.0721","0.0476","","","0.1088","0.1197","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063965","9.358","0.003","33.108","0.009","10.463","0.004","90","","108.229","0.014","90","","3079","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Co2 N2 -","- C34 H46 Co2 N2 -","- C136 H184 Co8 N8 -","4","1","","Takemoto, Shin; Honma, Takashi; Matsuzaka, Hiroyuki","Dinuclear Cp*Co Amido and Alkoxo Complexes: Synthesis, Structures, and Reactivity","Organometallics","2011","30","5","1013","","10.1021/om101065z","","","0.71075","MoKα","","0.0643","0.0422","","","0.1108","0.1223","","","","","","1.047","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063966","16.742","0.006","11.467","0.003","18.309","0.005","90","","102.033","0.013","90","","3437.7","1.8","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H50 Co2 N2 O4 -","- C30 H50 Co2 N2 O4 -","- C120 H200 Co8 N8 O16 -","4","1","","Takemoto, Shin; Honma, Takashi; Matsuzaka, Hiroyuki","Dinuclear Cp*Co Amido and Alkoxo Complexes: Synthesis, Structures, and Reactivity","Organometallics","2011","30","5","1013","","10.1021/om101065z","","","0.71075","MoKα","","0.058","0.0404","","","0.1141","0.1256","","","","","","1.016","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063967","8.641","0.005","11.111","0.006","17.681","0.009","89.64","0.02","83.19","0.02","68.685","0.018","1569","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 Co2 O2 -","- C34 H44 Co2 O2 -","- C68 H88 Co4 O4 -","2","1","","Takemoto, Shin; Honma, Takashi; Matsuzaka, Hiroyuki","Dinuclear Cp*Co Amido and Alkoxo Complexes: Synthesis, Structures, and Reactivity","Organometallics","2011","30","5","1013","","10.1021/om101065z","","","0.71075","MoKα","","0.0761","0.0461","","","0.122","0.1365","","","","","","1.027","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063968","22.352","0.005","13.807","0.004","16.094","0.006","90","","90","","90","","4967","3","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H60 Co2 F6 N2 O9 S2 -","- C42 H60 Co2 F6 N2 O9 S2 -","- C168 H240 Co8 F24 N8 O36 S8 -","4","0.5","","Takemoto, Shin; Honma, Takashi; Matsuzaka, Hiroyuki","Dinuclear Cp*Co Amido and Alkoxo Complexes: Synthesis, Structures, and Reactivity","Organometallics","2011","30","5","1013","","10.1021/om101065z","","","0.71075","MoKα","","0.0976","0.071","","","0.2147","0.2377","","","","","","1.064","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063969","11.161","0.002","15.987","0.003","16.576","0.003","89.93","0.03","83.27","0.03","71.19","0.03","2778.3","1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cl N3 Si -","- C28 H34 Cl N3 Si -","- C112 H136 Cl4 N12 Si4 -","4","2","","Sarish, Sankaranarayana Pillai; Jana, Anukul; Roesky, Herbert W.; Samuel, Prinson P.; Andrade, Carlos E. Abad; Dittrich, Birger; Schulzke, Carola","Synthesis of a Lewis Base Stabilized Dimer of N-Substituted Hydrosila Hydrazone and a Silaaziridine","Organometallics","2011","30","4","912","","10.1021/om101066w","","","0.71073","MoKα","","0.1656","0.0873","","","0.1409","0.1633","","","","","","1.021","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063970","8.269","0.0017","9.7193","0.0019","17.875","0.004","101.04","0.03","102.46","0.03","96.72","0.03","1357.9","0.6","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Cl N4 Si -","- C28 H35 Cl N4 Si -","- C56 H70 Cl2 N8 Si2 -","2","1","","Sarish, Sankaranarayana Pillai; Jana, Anukul; Roesky, Herbert W.; Samuel, Prinson P.; Andrade, Carlos E. Abad; Dittrich, Birger; Schulzke, Carola","Synthesis of a Lewis Base Stabilized Dimer of N-Substituted Hydrosila Hydrazone and a Silaaziridine","Organometallics","2011","30","4","912","","10.1021/om101066w","","","0.71073","MoKα","","0.1129","0.0647","","","0.1322","0.15","","","","","","1.016","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063971","12.7543","0.0003","18.2098","0.0004","13.9106","0.0003","90","","113.129","0.0007","90","","2971.11","0.12","100","2","100","2","","","","","","","Synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H84 N8 O2 Si2 -","- C64 H84 N8 O2 Si2 -","- C128 H168 N16 O4 Si4 -","2","0.5","","Sarish, Sankaranarayana Pillai; Jana, Anukul; Roesky, Herbert W.; Samuel, Prinson P.; Andrade, Carlos E. Abad; Dittrich, Birger; Schulzke, Carola","Synthesis of a Lewis Base Stabilized Dimer of N-Substituted Hydrosila Hydrazone and a Silaaziridine","Organometallics","2011","30","4","912","","10.1021/om101066w","","","1.5418","CuKα","","0.0368","0.0367","","","0.0959","0.096","","","","","","1.056","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063972","13.197","0.003","16.868","0.004","19.52","0.005","90","","90.59","0.013","90","","4345.1","1.8","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Al N5 S -","- C20 H26 Al N5 S -","- C160 H208 Al8 N40 S8 -","8","2","","Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Castro-Osma, Jose A.; Márquez-Segovia, I.; Sánchez-Barba, Luis F.; Rodríguez, Ana M.; Garcia-Martinez, Joaquin C.","Neutral and Cationic Aluminum Complexes Supported by Acetamidate and Thioacetamidate Heteroscorpionate Ligands as Initiators for Ring-Opening Polymerization of Cyclic Esters","Organometallics","2011","30","6","1507","","10.1021/om1010676","","","0.71073","MoKα","","0.1669","0.0859","","","0.1853","0.2105","","","","","","1.008","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063973","10.9497","0.0013","15.4316","0.0016","14.0254","0.0019","90","","100.569","0.006","90","","2329.7","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Al N5 S -","- C22 H30 Al N5 S -","- C88 H120 Al4 N20 S4 -","4","1","","Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Castro-Osma, Jose A.; Márquez-Segovia, I.; Sánchez-Barba, Luis F.; Rodríguez, Ana M.; Garcia-Martinez, Joaquin C.","Neutral and Cationic Aluminum Complexes Supported by Acetamidate and Thioacetamidate Heteroscorpionate Ligands as Initiators for Ring-Opening Polymerization of Cyclic Esters","Organometallics","2011","30","6","1507","","10.1021/om1010676","","","0.71073","MoKα","","0.1477","0.065","","","0.1508","0.2016","","","","","","0.921","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063974","10.784","0.005","9.898","0.008","22.511","0.009","90","","101.262","0.016","90","","2357","2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Al N5 O -","- C20 H34 Al N5 O -","- C80 H136 Al4 N20 O4 -","4","1","","Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Castro-Osma, Jose A.; Márquez-Segovia, I.; Sánchez-Barba, Luis F.; Rodríguez, Ana M.; Garcia-Martinez, Joaquin C.","Neutral and Cationic Aluminum Complexes Supported by Acetamidate and Thioacetamidate Heteroscorpionate Ligands as Initiators for Ring-Opening Polymerization of Cyclic Esters","Organometallics","2011","30","6","1507","","10.1021/om1010676","","","0.71073","MoKα","","0.1996","0.0786","","","0.1972","0.2308","","","","","","0.941","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063975","17.205","0.004","7.41","0.0019","17.5","0.005","90","","90","","90","","2231.1","1","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","Pt(dippe)(2-C6H4CN)H","","","- C21 H37 N P2 Pt -","- C21 H36 N P2 Pt -","- C84 H144 N4 P8 Pt4 -","4","1","","Swartz, Brett D.; Brennessel, William W.; Jones, William D.","C−CN vs C−H Cleavage of Benzonitrile Using [(dippe)PtH]2","Organometallics","2011","30","6","1523","","10.1021/om101069j","","","0.71073","MoKα","","0.0976","0.0527","","","0.0943","0.1081","","","","","","1.023","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063976","9.5748","0.0009","14.8349","0.0013","13.6365","0.0013","90","","104.136","0.002","90","","1878.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pt(dippe)(CN)H","","","- C15 H33 N P2 Pt -","- C15 H33 N P2 Pt -","- C60 H132 N4 P8 Pt4 -","4","1","","Swartz, Brett D.; Brennessel, William W.; Jones, William D.","C−CN vs C−H Cleavage of Benzonitrile Using [(dippe)PtH]2","Organometallics","2011","30","6","1523","","10.1021/om101069j","","","0.71073","MoKα","","0.0918","0.048","","","0.0813","0.0932","","","","","","0.986","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063977","7.9087","0.0008","22.536","0.002","13.434","0.0013","90","","94.286","0.002","90","","2387.7","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt(dippe)(m/p-C6H4CN)(CN)","","","- C22 H36 N2 P2 Pt -","- C22 H36 N2 P2 Pt -","- C88 H144 N8 P8 Pt4 -","4","1","","Swartz, Brett D.; Brennessel, William W.; Jones, William D.","C−CN vs C−H Cleavage of Benzonitrile Using [(dippe)PtH]2","Organometallics","2011","30","6","1523","","10.1021/om101069j","","","0.71073","MoKα","","0.0773","0.0476","","","0.0945","0.1029","","","","","","1.11","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063978","9.1413","0.0016","20.435","0.004","16.351","0.003","90","","95.311","0.003","90","","3041.3","1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pt(dippe)(o-C6H4CN)(CN)","","","- C29 H43 N3 O P2 Pt -","- C29 H43 N3 O P2 Pt -","- C116 H172 N12 O4 P8 Pt4 -","4","1","","Swartz, Brett D.; Brennessel, William W.; Jones, William D.","C−CN vs C−H Cleavage of Benzonitrile Using [(dippe)PtH]2","Organometallics","2011","30","6","1523","","10.1021/om101069j","","","0.71073","MoKα","","0.0861","0.0533","","","0.1237","0.1386","","","","","","1.09","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063979","8.2455","0.0008","17.2552","0.0018","18.2595","0.0019","96.906","0.002","102.699","0.002","94.556","0.002","2500.9","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Pt(dippe)(o-C6H4CN)(CN)","","","- C23.5 H37.5 N2 P2 Pt -","- C23.5 H37.5 N2 P2 Pt -","- C94 H150 N8 P8 Pt4 -","4","2","","Swartz, Brett D.; Brennessel, William W.; Jones, William D.","C−CN vs C−H Cleavage of Benzonitrile Using [(dippe)PtH]2","Organometallics","2011","30","6","1523","","10.1021/om101069j","","","0.71073","MoKα","","0.1049","0.0528","","","0.1018","0.1175","","","","","","1.011","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063980","8.0176","0.0007","21.511","0.002","12.7784","0.0012","90","","91.16","0.002","90","","2203.4","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt(dippe)(Ph)Cl","","","- C20 H37 Cl P2 Pt -","- C20 H37 Cl P2 Pt -","- C80 H148 Cl4 P8 Pt4 -","4","1","","Swartz, Brett D.; Brennessel, William W.; Jones, William D.","C−CN vs C−H Cleavage of Benzonitrile Using [(dippe)PtH]2","Organometallics","2011","30","6","1523","","10.1021/om101069j","","","0.71073","MoKα","","0.1099","0.0495","","","0.0788","0.0957","","","","","","0.959","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063981","7.9737","0.0009","21.377","0.002","13.108","0.0015","90","","91.193","0.002","90","","2233.8","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt(dippe)(Ph)(CN)","","","- C21 H37 N P2 Pt -","- C21 H37 N P2 Pt -","- C84 H148 N4 P8 Pt4 -","4","1","","Swartz, Brett D.; Brennessel, William W.; Jones, William D.","C−CN vs C−H Cleavage of Benzonitrile Using [(dippe)PtH]2","Organometallics","2011","30","6","1523","","10.1021/om101069j","","","0.71073","MoKα","","0.0858","0.0443","","","0.0662","0.0756","","","","","","0.974","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063982","8.211","0.0002","16.0565","0.0003","14.8613","0.0002","90","","92.0723","0.0011","90","","1958.03","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 S2 Ti -","- C20 H32 S2 Ti -","- C80 H128 S8 Ti4 -","4","1","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0395","0.0322","","","0.0921","0.0971","","","","","","1.041","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063983","29.5495","0.0002","16.3542","0.0005","8.1155","0.0009","90","","90","","90","","3921.9","0.5","150","2","150","2","","","","","","","synthesized by the authors","4","I m a 2","I 2 -2a","46","","","","- C20 H32 S2 Ti -","- C20 H32 S2 Ti -","- C160 H256 S16 Ti8 -","8","1","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0353","0.0306","","","0.0784","0.0809","","","","","","1.065","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063984","9.2929","0.0004","13.7354","0.0004","15.3282","0.0006","90","","98.5602","0.0018","90","","1934.72","0.13","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 S Ti -","- C20 H31 S Ti -","- C80 H124 S4 Ti4 -","4","1","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0472","0.0346","","","0.0883","0.0964","","","","","","1.049","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063985","8.747","0.0002","9.7057","0.0002","16.4333","0.0004","84.3085","0.0011","77.8313","0.0014","68.3827","0.0012","1267.5","0.05","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C24 H41 S Si2 Ti -","- C24 H41 S Si2 Ti -","- C48 H82 S2 Si4 Ti2 -","2","1","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0374","0.0321","","","0.0853","0.0883","","","","","","1.059","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063986","9.7091","0.0002","17.5102","0.0003","15.6457","0.0003","90","","98.6397","0.001","90","","2629.72","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 S2 Si2 Ti -","- C24 H42 S2 Si2 Ti -","- C96 H168 S8 Si8 Ti4 -","4","1","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0435","0.0309","","","0.0798","0.0854","","","","","","1.032","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063987","8.9285","0.0002","16.5772","0.0006","18.2119","0.0006","110.816","0.0013","100.999","0.0019","90.359","0.002","2465.23","0.14","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C48 H80 S2 Si4 Ti2 -","- C48 H80 S2 Si4 Ti2 -","- C96 H160 S4 Si8 Ti4 -","2","1","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0537","0.0384","","","0.0916","0.0984","","","","","","1.046","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063988","9.022","0.0001","18.7991","0.0003","22.2727","0.0004","102.854","0.0007","98.358","0.0009","93.8079","0.001","3624.64","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 S Ti2 -","- C40 H60 S Ti2 -","- C160 H240 S4 Ti8 -","4","2","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0716","0.0513","","","0.1211","0.1286","","","","","","1.137","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063989","15.3645","0.0003","11.4025","0.0002","14.6185","0.0003","90","","105.441","0.0012","90","","2468.63","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H80 S Si4 Ti2 -","- C48 H80 S Si4 Ti2 -","- C96 H160 S2 Si8 Ti4 -","2","0.5","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0399","0.0311","","","0.0842","0.0884","","","","","","1.044","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063990","12.0018","0.0001","12.9333","0.0002","17.6787","0.0002","92.47","0.0006","101.168","0.0006","116.718","0.0005","2378.04","0.05","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C51 H78 S Si2 Ti2 -","- C44 H70 S Si2 Ti2 -","- C88 H140 S2 Si4 Ti4 -","2","1","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0432","0.0336","","","0.093","0.0968","","","","","","1.085","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063991","12.1267","0.0004","12.1267","0.0004","14.2866","0.0007","90","","90","","90","","2100.94","0.14","150","2","150","2","","","","","","","synthesized by the authors","4","I -4","I -4","82","","","","- C40 H60 S4 Ti4 -","- C40 H60 S4 Ti4 -","- C80 H120 S8 Ti8 -","2","0.25","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0438","0.0424","","","0.1085","0.1094","","","","","","1.064","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063992","8.8939","0.0007","16.7399","0.0014","14.4141","0.0012","90","","96.322","0.001","90","","2133","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Cl2 Ge2 N4 O2 S2 -","- C38 H62 Cl2 Ge2 N4 O2 S2 -","- C76 H124 Cl4 Ge4 N8 O4 S4 -","2","0.5","","Sen, Sakya S.; Ghadwal, Rajendra S.; Kratzert, Daniel; Stern, Daniel; Roesky, Herbert W.; Stalke, Dietmar","Synthesis and Structure of [{PhC(NtBu)2}2Ge2(μ-S)2Cl2] and a Germanium Dithiocarboxylate Analogue","Organometallics","2011","30","5","1030","","10.1021/om101074j","","","0.71073","MoKα","","0.0183","0.0177","","","0.047","0.0473","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4063993","17.3432","0.0012","8.8382","0.0006","16.5578","0.0012","90","","114.333","0.001","90","","2312.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Ge2 K2 N4 O2 S4 -","- C38 H62 Ge2 K2 N4 O2 S4 -","- C76 H124 Ge4 K4 N8 O4 S8 -","2","0.5","","Sen, Sakya S.; Ghadwal, Rajendra S.; Kratzert, Daniel; Stern, Daniel; Roesky, Herbert W.; Stalke, Dietmar","Synthesis and Structure of [{PhC(NtBu)2}2Ge2(μ-S)2Cl2] and a Germanium Dithiocarboxylate Analogue","Organometallics","2011","30","5","1030","","10.1021/om101074j","","","0.71073","MoKα","","0.0393","0.0294","","","0.0653","0.0693","","","","","","1.057","","","","has coordinates,has disorder","178534","2020-10-21","18:00:00",""
"4063994","11.6395","0.0008","13.1766","0.001","13.3346","0.0009","71.43","0.005","66.276","0.005","70.827","0.006","1726.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H27 Cl I4 N6 Pd2 -","- C22 H26 I4 N6 Pd2 -","- C44 H52 I8 N12 Pd4 -","2","1","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.0384","0.0319","","","0.083","0.0849","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063995","7.6739","0.0015","14.442","0.002","11.515","0.003","90","","92.469","0.017","90","","1275","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 I4 N6 Pd2 -","- C14 H26 I4 N6 Pd2 -","- C28 H52 I8 N12 Pd4 -","2","0.5","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.1487","0.0836","","","0.211","0.2486","","","","","","0.837","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063996","8.284","0.0008","9.6916","0.0009","11.8468","0.0011","71.804","0.011","80.644","0.011","69.299","0.011","843.77","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 I4 N6 Pd2 -","- C22 H42 I4 N6 Pd2 -","- C22 H42 I4 N6 Pd2 -","1","0.5","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.0431","0.0313","","","0.0763","0.0823","","","","","","0.938","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063997","8.7187","0.0005","15.5227","0.0007","14.8293","0.0009","90","","96.836","0.005","90","","1992.7","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl2 I4 N6 Pd2 -","- C27 H36 Cl2 I4 N6 Pd2 -","- C54 H72 Cl4 I8 N12 Pd4 -","2","0.5","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.0376","0.0291","","","0.0972","0.0992","","","","","","1.129","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063998","9.9204","0.0014","10.5994","0.0013","10.5337","0.0014","91.475","0.011","94.257","0.011","112.019","0.01","1022.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Cl4 I4 N6 Pd2 -","- C28 H38 Cl4 I4 N6 Pd2 -","- C28 H38 Cl4 I4 N6 Pd2 -","1","0.5","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.1133","0.0887","","","0.2291","0.2832","","","","","","0.996","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063999","9.6971","0.0007","13.6009","0.0012","9.4707","0.0008","90","","105.49","0.006","90","","1203.71","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 I2 N6 Pd -","- C22 H26 I2 N6 Pd -","- C44 H52 I4 N12 Pd2 -","2","0.5","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.0293","0.0256","","","0.0634","0.0648","","","","","","0.975","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4064000","9.5874","0.0007","13.4276","0.0009","19.6702","0.0014","90","","102.35","0.008","90","","2473.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 I2 N6 Pd -","- C22 H26 I2 N6 Pd -","- C88 H104 I8 N24 Pd4 -","4","1","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.0513","0.0366","","","0.0847","0.0892","","","","","","0.906","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064001","12.7461","0.0009","17.2912","0.0009","14.153","0.001","90","","112.592","0.005","90","","2879.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Cl2 I2 N6 Pd -","- C23 H28 Cl2 I2 N6 Pd -","- C92 H112 Cl8 I8 N24 Pd4 -","4","1","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.0562","0.0396","","","0.0945","0.0989","","","","","","0.91","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064002","8.2661","0.0002","8.8875","0.0003","9.3445","0.0003","108.081","0.003","115.551","0.003","91.735","0.002","577.89","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cl2 N6 Pd -","- C22 H26 Cl2 N6 Pd -","- C22 H26 Cl2 N6 Pd -","1","0.5","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","1.54184","CuKα","","0.0421","0.0421","","","0.1139","0.1139","","","","","","1.061","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064003","12.4522","0.0011","12.7285","0.0011","15.3977","0.0014","73.253","0.007","66.849","0.007","87.828","0.007","2140.9","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 I N3 Pd -","- C13 H16 I N3 Pd -","- C78 H96 I6 N18 Pd6 -","6","3","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.0666","0.0627","","","0.1734","0.1769","","","","","","1.068","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064004","15.4702","0.0014","20.6531","0.001","16.2193","0.001","90","","91.153","0.006","90","","5181.1","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15.67 H13.33 Cl1.33 I N3 Pd -","- C15.6667 H13.3333 Cl1.33333 I N3 Pd -","- C188 H160 Cl16 I12 N36 Pd12 -","12","3","","Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin","Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes","Organometallics","2011","30","5","1021","","10.1021/om101076u","","","0.71073","MoKα","","0.1148","0.063","","","0.1379","0.1574","","","","","","0.954","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064005","12.6734","0.0005","12.7251","0.0005","15.6035","0.0007","90","","90","","90","","2516.38","0.18","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cl N P Pd -","- C26 H27 Cl N P Pd -","- C104 H108 Cl4 N4 P4 Pd4 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0355","0.0326","","","0.071","0.0722","","","","","","1.066","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064006","12.4087","0.0005","15.0921","0.0006","20.0822","0.0008","90","","90","","90","","3760.9","0.3","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 Cl2 N2 O P Pd Pt -","- C39 H47 Cl2 N2 O P Pd Pt -","- C156 H188 Cl8 N8 O4 P4 Pd4 Pt4 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0411","0.0346","","","0.0678","0.0699","","","","","","0.932","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064007","11.9361","0.0007","15.1004","0.0009","12.6209","0.0008","90","","97.846","0.002","90","","2253.5","0.2","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39.5 H50 Cl2 N2 O0.5 P Pd Pt -","- C39.5 H50 Cl2 N2 O0.5 P Pd Pt -","- C79 H100 Cl4 N4 O P2 Pd2 Pt2 -","2","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0908","0.0549","","","0.1435","0.1816","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064008","9.9179","0.0004","11.8461","0.0006","18.4656","0.001","76.381","0.003","81.483","0.003","65.363","0.002","1913.49","0.17","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C39 H46.5 Cl N3.5 O P Pd Pt -","- C39 H46.5 Cl N3.5 O P Pd Pt -","- C78 H93 Cl2 N7 O2 P2 Pd2 Pt2 -","2","2","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0423","0.0347","","","0.0738","0.1012","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064009","9.4113","0.0003","19.085","0.0006","11.0368","0.0003","90","","105.781","0.001","90","","1907.65","0.1","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl N2 O P Pd Pt -","- C42 H48 Cl N2 O P Pd Pt -","- C84 H96 Cl2 N4 O2 P2 Pd2 Pt2 -","2","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0447","0.036","","","0.0753","0.0945","","","","","","1.009","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064010","12.3661","0.0017","16.004","0.003","18.848","0.003","90","","90","","90","","3730.2","1.1","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H43 Cl4 N2 P Pd Pt -","- C37 H43 Cl4 N2 P Pd Pt -","- C148 H172 Cl16 N8 P4 Pd4 Pt4 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0476","0.0413","","","0.1005","0.1048","","","","","","1.033","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064011","10.4219","0.0003","16.0129","0.0005","42.5362","0.0015","90","","90","","90","","7098.6","0.4","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H43 Cl2 N2 O P Pd Pt -","- C36.5 H43 Cl2 N2 O P Pd Pt -","- C292 H344 Cl16 N16 O8 P8 Pd8 Pt8 -","8","2","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.056","0.0477","","","0.1011","0.1039","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064012","9.7661","0.0004","19.072","0.0007","10.6031","0.0004","90","","103.175","0.002","90","","1922.94","0.13","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl N2 O P Pd Pt -","- C42 H48 Cl N2 O P Pd Pt -","- C84 H96 Cl2 N4 O2 P2 Pd2 Pt2 -","2","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0243","0.0205","","","0.0498","0.0891","","","","","","1.061","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064013","12.3412","0.0004","15.0175","0.0005","19.9738","0.0006","90","","90","","90","","3701.8","0.2","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 Cl2 N2 O P Pd2 -","- C39 H47 Cl2 N2 O P Pd2 -","- C156 H188 Cl8 N8 O4 P4 Pd8 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0372","0.0317","","","0.0668","0.0691","","","","","","1.063","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064014","23.9174","0.0017","14.883","0.0011","11.7442","0.0009","90","","116.069","0.004","90","","3755.2","0.5","103","2","103","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H49 Cl2 N2 O3.5 P Pd2 -","- C36 H49 Cl2 N2 O3.5 P Pd2 -","- C144 H196 Cl8 N8 O14 P4 Pd8 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.1377","0.0672","","","0.1461","0.202","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064015","9.9213","0.0003","11.839","0.0004","18.3636","0.0006","76.468","0.002","81.334","0.002","65.288","0.001","1901.61","0.11","103","2","103","2","","","","","","","","7","P 1","P 1","1","","","","- C38.84 H46.34 Cl1.31 N3.34 O P Pd2 -","- C38.8465 H46.3465 Cl1.307 N3.3465 O P Pd2 -","- C77.693 H92.693 Cl2.614 N6.693 O2 P2 Pd4 -","2","2","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0364","0.0328","","","0.0729","0.0868","","","","","","1.077","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064016","12.4755","0.0005","16.164","0.0006","19.06","0.0007","90","","90","","90","","3843.5","0.3","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 Cl2 N2 O P Pd2 -","- C39 H47 Cl2 N2 O P Pd2 -","- C156 H188 Cl8 N8 O4 P4 Pd8 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0413","0.0367","","","0.1066","0.1227","","","","","","1.128","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064017","10.4539","0.0017","16.178","0.003","42.663","0.008","90","","90","","90","","7215","2","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H43 Cl2 N2 O P Pd2 -","- C36.5 H43 Cl2 N2 O P Pd2 -","- C292 H344 Cl16 N16 O8 P8 Pd16 -","8","2","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0582","0.0497","","","0.0938","0.0965","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064018","8.3208","0.0013","8.759","0.0013","11.6164","0.0017","108.031","0.002","106.341","0.002","90.357","0.002","768.5","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H18 B F3 N O3 P S -","- C10 H18 B F3 N O3 P S -","- C20 H36 B2 F6 N2 O6 P2 S2 -","2","1","","Marwitz, Adam J. V.; Jenkins, Jesse T.; Zakharov, Lev N.; Liu, Shih-Yuan","Cationic 1,2-Azaborine Adducts of Trimethylphosphine, Triphenylphosphine oxide, and Pyridine-N-oxide.","Organometallics","2011","30","1","52","54","10.1021/om101083p","","","0.71073","MoKα","","0.0598","0.043","","","0.0949","0.1066","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064019","9.1044","0.0004","19.8146","0.0008","28.191","0.0011","90","","90","","90","","5085.7","0.4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H24 B F3 N O4 P S -","- C25 H24 B F3 N O4 P S -","- C200 H192 B8 F24 N8 O32 P8 S8 -","8","1","","Marwitz, Adam J. V.; Jenkins, Jesse T.; Zakharov, Lev N.; Liu, Shih-Yuan","Cationic 1,2-Azaborine Adducts of Trimethylphosphine, Triphenylphosphine oxide, and Pyridine-N-oxide.","Organometallics","2011","30","1","52","54","10.1021/om101083p","","","0.71073","MoKα","","0.055","0.045","","","0.1094","0.1169","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064020","9.6415","0.0013","9.9617","0.0014","16.668","0.002","90","","96.612","0.002","90","","1590.2","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B F3 N2 O4 S -","- C12 H14 B F3 N2 O4 S -","- C48 H56 B4 F12 N8 O16 S4 -","4","1","","Marwitz, Adam J. V.; Jenkins, Jesse T.; Zakharov, Lev N.; Liu, Shih-Yuan","Cationic 1,2-Azaborine Adducts of Trimethylphosphine, Triphenylphosphine oxide, and Pyridine-N-oxide.","Organometallics","2011","30","1","52","54","10.1021/om101083p","","","0.71073","MoKα","","0.0688","0.0433","","","0.0976","0.1137","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064021","14.218","0.007","15.612","0.008","19.372","0.01","90","","90","","90","","4300","4","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H25 Cl2 N2 S Ta -","- C22 H25 Cl2 N2 S Ta -","- C176 H200 Cl16 N16 S8 Ta8 -","8","1","","Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José","Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety","Organometallics","2011","30","6","1551","","10.1021/om101086c","","","0.71073","MoKα","","0.126","0.0595","","","0.1263","0.1611","","","","","","0.972","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064022","17.864","0.002","17.864","0.002","12.492","0.0018","90","","90","","120","","3452.4","0.7","200","2","200","2","","","","","","","","5","P 65","P 65","170","","","","- C22 H27 N2 S Ta -","- C22 H27 N2 S Ta -","- C132 H162 N12 S6 Ta6 -","6","1","","Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José","Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety","Organometallics","2011","30","6","1551","","10.1021/om101086c","","","0.71073","MoKα","","0.0892","0.0495","","","0.083","0.0927","","","","","","0.879","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064023","8.356","0.004","9.736","0.005","15.204","0.008","78.199","0.006","88.38","0.006","88.251","0.006","1209.9","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 Cl5 P2 Pt -","- C18 H29 Cl5 P2 Pt -","- C36 H58 Cl10 P4 Pt2 -","2","1","","Robinson, Robert; Clarkson, Joseph M.; Moody, Morgan A.; Sharp, Paul R.","Pt(PEt3)(κ2-P,C-PEt2CHMe)(C6Cl5): An Unexpected Intermediate in the Synthesis ofcis-Pt(PEt3)2(Cl)(C6Cl5)","Organometallics","2011","30","6","1730","","10.1021/om1010879","","","0.71073","MoKα","","0.0316","0.0267","","","0.062","0.0654","","","","","","1.067","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064024","8.8591","0.001","15.4076","0.0017","18.87","0.002","90","","92.796","0.001","90","","2572.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Cl6 P2 Pt -","- C18 H30 Cl6 P2 Pt -","- C72 H120 Cl24 P8 Pt4 -","4","1","","Robinson, Robert; Clarkson, Joseph M.; Moody, Morgan A.; Sharp, Paul R.","Pt(PEt3)(κ2-P,C-PEt2CHMe)(C6Cl5): An Unexpected Intermediate in the Synthesis ofcis-Pt(PEt3)2(Cl)(C6Cl5)","Organometallics","2011","30","6","1730","","10.1021/om1010879","","","0.71073","MoKα","","0.0274","0.0217","","","0.051","0.0536","","","","","","1.04","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064025","17.2203","0.0006","12.527","0.002","22.52","0.002","90","","101.908","0.005","90","","4753.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 N7 P2 Ru -","- C51 H39 N7 P2 Ru -","- C204 H156 N28 P8 Ru4 -","4","1","","Bruce, Michael I.; Morris, Jonathan C.; Nicholson, Brian K.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","A Percyanovinylidene−Ruthenium Complex, Ru{═C═C5(CN)3[═C(CN)2]2}(dppe)Cp*","Organometallics","2011","30","3","653","","10.1021/om1010885","","","0.71073","MoKα","","0.1001","0.0589","","","0.1387","0.1485","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064026","9.485","0.002","20.908","0.005","23.495","0.006","90","","90","","90","","4659.3","1.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H42 N8 P2 Ru -","- C53 H42 N8 P2 Ru -","- C212 H168 N32 P8 Ru4 -","4","1","","Bruce, Michael I.; Morris, Jonathan C.; Nicholson, Brian K.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","A Percyanovinylidene−Ruthenium Complex, Ru{═C═C5(CN)3[═C(CN)2]2}(dppe)Cp*","Organometallics","2011","30","3","653","","10.1021/om1010885","","","0.71073","MoKα","","0.0701","0.0445","","","0.0938","0.1048","","","","","","1.04","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064027","17.1845","0.0005","11.2369","0.0003","24.8346","0.0007","90","","108.38","0.002","90","","4550.9","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","COMPOUND 1","","","- C54 H46 Ge4 -","- C54 H46 Ge4 -","- C216 H184 Ge16 -","4","1","","Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†","Organometallics","2011","30","5","1046","","10.1021/om101091c","","","1.54178","CuKα","","0.0432","0.0307","","","0.0721","0.0771","","","","","","1.028","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064028","13.116","","10.45","","18.204","","90","","95.81","","90","","2482.26","","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","COMPOUND 3a","","","- C80 H0 Cl0 F24 Ge4 O2 P4 -","- C120 H102 Cl2 Ge8 -","- C120 H102 Cl2 Ge8 -","1","0.5","","Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†","Organometallics","2011","30","5","1046","","10.1021/om101091c","","","0.71073","MoKα","","0.0806","0.0628","","","0.1453","0.1712","","","","","","1.056","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064029","18.6792","0.0014","18.6792","0.0014","9.874","0.0007","90","","90","","120","","2983.6","0.4","100","2","100","2","","","","","","","","4","P 63","P 6c","173","COMPOUND 3b","","","- C78 H75 Cl Ge4 -","- C78 H75 Cl Ge4 -","- C156 H150 Cl2 Ge8 -","2","0.333333","","Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†","Organometallics","2011","30","5","1046","","10.1021/om101091c","","","0.71073","MoKα","","0.0671","0.0487","","","0.1061","0.1173","","","","","","1.047","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064030","18.6599","0.0016","18.6599","0.0016","10.0541","0.0017","90","","90","","120","","3031.7","0.6","100","2","100","2","","","","","","","","4","P 63","P 6c","173","COMPUND 4","","","- C72 H63 Br Ge4 -","- C72 H63 Br Ge4 -","- C144 H126 Br2 Ge8 -","2","0.333333","","Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†","Organometallics","2011","30","5","1046","","10.1021/om101091c","","","0.71073","MoKα","","0.0518","0.0375","","","0.0774","0.0846","","","","","","1.044","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064031","12.7545","0.0013","13.2977","0.0012","15.1657","0.0015","86.077","0.002","69.5","0.002","86.651","0.002","2402","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","COMPOUND 5","","","- C57 H48 Ge4 I -","- C57 H48 Ge4 I -","- C114 H96 Ge8 I2 -","2","1","","Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†","Organometallics","2011","30","5","1046","","10.1021/om101091c","","","0.71073","MoKα","","0.0457","0.0329","","","0.0689","0.0768","","","","","","1.024","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064032","12.024","0.003","14.667","0.003","16.54","0.003","85.326","0.004","76.814","0.004","80.801","0.004","2800.4","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H62 N2 O6 Pd2 -","- C70 H62 N2 O6 Pd2 -","- C140 H124 N4 O12 Pd4 -","2","1","","Lentijo, Sergio; Miguel, Jesús A.; Espinet, Pablo","Cyclopalladated Complexes of Perylene Imine: Formation of Acetato-Bridged Dinuclear Complexes with 6,6- and 5,6-Membered Metallacycles","Organometallics","2011","30","5","1059","","10.1021/om1010929","","","0.71073","MoKα","","0.112","0.0593","","","0.1241","0.154","","","","","","1.032","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064033","17.7","0.008","18.299","0.008","14.666","0.007","90","","92.424","0.008","90","","4746","4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H46 N2 O4 Pd2 -","- C62 H46 N2 O4 Pd2 -","- C248 H184 N8 O16 Pd8 -","4","1","","Lentijo, Sergio; Miguel, Jesús A.; Espinet, Pablo","Cyclopalladated Complexes of Perylene Imine: Formation of Acetato-Bridged Dinuclear Complexes with 6,6- and 5,6-Membered Metallacycles","Organometallics","2011","30","5","1059","","10.1021/om1010929","","","0.71073","MoKα","","0.1169","0.0481","","","0.1093","0.154","","","","","","1.05","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064034","10.58","0.002","13.715","0.003","15.855","0.003","102.19","0.03","101.24","0.03","95.28","0.03","2184.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.2 H53 N12 O1.8 Sm Ti -","- C39.2 H53 N12 O1.8 Sm Ti -","- C78.4 H106 N24 O3.6 Sm2 Ti2 -","2","1","","Zhou, Fengying; Lin, Miaoshui; Li, Lei; Zhang, Xueqing; Chen, Zhou; Li, Yahong; Zhao, Yang; Wu, Jin; Qian, Guimin; Hu, Bin; Li, Wu","Heterobimetallic Samarium(III) and Titanium(IV) Complexes with Bifunctional Catalytic Properties","Organometallics","2011","30","6","1283","","10.1021/om1010935","","","0.71073","MoKα","","0.0699","0.0515","","","0.123","0.1332","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064035","10.3744","0.0016","23.785","0.004","11.8475","0.0019","90","","98.0292","0.0005","90","","2894.8","0.8","293.1","","293.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Bi Cl5 Ru2 S -","- C22 H17 Bi Cl5 Ru2 S -","- C88 H68 Bi4 Cl20 Ru8 S4 -","4","1","","Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi","Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2","Organometallics","2011","30","11","2939","","10.1021/om101095a","","","0.7107","MoKα","","","0.0331","","","","0.1148","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064036","10.759","0.003","13.574","0.004","19.806","0.005","90","","90","","90","","2892.5","1.4","293.1","","293.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl5 Ru2 S Sb -","- C22 H34 Cl5 Ru2 S Sb -","- C88 H136 Cl20 Ru8 S4 Sb4 -","4","1","","Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi","Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2","Organometallics","2011","30","11","2939","","10.1021/om101095a","","","0.7107","MoKα","","","0.046","","","","0.1107","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064037","8.467","0.003","17.036","0.006","12.359","0.005","90","","105.46","0.0016","90","","1718.2","1.1","293.1","","293.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H34 Cl8 Ru2 S Sb2 -","- C22 H34 Cl8 Ru2 S Sb2 -","- C44 H68 Cl16 Ru4 S2 Sb4 -","2","1","","Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi","Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2","Organometallics","2011","30","11","2939","","10.1021/om101095a","","","0.7107","MoKα","","","0.032","","","","0.105","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064038","21.99","0.008","10.596","0.003","16.525","0.006","90","","117.883","0.0015","90","","3403","2","293.1","","293.1","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H34 Cl8 O Ru2 S Sb2 -","- C22 H34 Cl8 O Ru2 S Sb2 -","- C88 H136 Cl32 O4 Ru8 S4 Sb8 -","4","1","","Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi","Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2","Organometallics","2011","30","11","2939","","10.1021/om101095a","","","0.7107","MoKα","","","0.0348","","","","0.107","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064039","13.787","0.003","16.768","0.003","17.268","0.003","77.341","0.005","88.378","0.006","87.547","0.006","3890.7","1.3","293.1","","293.1","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Cl11 O Ru2 S Sb3 -","- C22 H34 Cl11 O Ru2 S Sb3 -","- C88 H136 Cl44 O4 Ru8 S4 Sb12 -","4","2","","Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi","Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2","Organometallics","2011","30","11","2939","","10.1021/om101095a","","","0.7107","MoKα","","","0.0422","","","","0.1318","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064040","10.7857","0.0005","15.5435","0.0007","11.9546","0.0006","90","","95.17","0.001","90","","1996.01","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H58 N3 O2 Si2 Ta -","- C38 H58 N3 O2 Si2 Ta -","- C76 H116 N6 O4 Si4 Ta2 -","2","1","","Reznichenko, Alexander L.; Emge, Thomas J.; Audörsch, Stephan; Klauber, Eric G.; Hultzsch, Kai C.; Schmidt, Bernd","Group 5 Metal Binaphtholate Complexes for Catalytic Asymmetric Hydroaminoalkylation and Hydroamination/Cyclization","Organometallics","2011","30","5","921","","10.1021/om1011006","","","0.71073","MoKα","","0.0165","0.0161","","","0.0386","0.0388","","","","","","1.017","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064041","10.7656","0.0007","15.5456","0.001","11.9463","0.0008","90","","95.076","0.001","90","","1991.5","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H58 N3 Nb O2 Si2 -","- C38 H58 N3 Nb O2 Si2 -","- C76 H116 N6 Nb2 O4 Si4 -","2","1","","Reznichenko, Alexander L.; Emge, Thomas J.; Audörsch, Stephan; Klauber, Eric G.; Hultzsch, Kai C.; Schmidt, Bernd","Group 5 Metal Binaphtholate Complexes for Catalytic Asymmetric Hydroaminoalkylation and Hydroamination/Cyclization","Organometallics","2011","30","5","921","","10.1021/om1011006","","","0.71073","MoKα","","0.0254","0.0245","","","0.0599","0.0605","","","","","","1.006","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064042","23.8945","0.0007","7.1593","0.0002","27.4516","0.0008","90","","106.38","0.003","90","","4505.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Fe O5 Si -","- C23 H26 Fe O5 Si -","- C184 H208 Fe8 O40 Si8 -","8","2","","Johnson, Tarn C.; Clarkson, Guy J.; Wills, Martin","(Cyclopentadienone)iron Shvo Complexes: Synthesis and Applications to Hydrogen Transfer Reactions","Organometallics","2011","30","7","1859","","10.1021/om101101r","","","0.71073","MoKα","","0.1408","0.0465","","","0.0501","0.0582","","","","","","0.745","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064043","12.0897","0.0005","14.101","0.0005","14.8766","0.0005","90","","93.481","0.002","90","","2531.44","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 B N4 -","- C27 H38 B N4 -","- C108 H152 B4 N16 -","4","1","","Bonnier, Catherine; Piers, Warren E.; Parvez., Masood","Isomeric Dipyrrinato and Dipyrromethanato Boranes","Organometallics","2011","30","5","1067","","10.1021/om1011038","","","0.71073","MoKα","","0.1057","0.0699","","","0.1165","0.1331","","","","","","1.087","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064044","10.722","0.003","14.815","0.007","10.979","0.005","90","","99.44","0.03","90","","1720.4","1.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 B2 N4 Na2 O0.3 -","- C34 H52 B2 N4 Na2 O0.3 -","- C68 H104 B4 N8 Na4 O0.6 -","2","0.5","","Bonnier, Catherine; Piers, Warren E.; Parvez., Masood","Isomeric Dipyrrinato and Dipyrromethanato Boranes","Organometallics","2011","30","5","1067","","10.1021/om1011038","","","0.71073","MoKα","","0.0625","0.0464","","","0.1215","0.1335","","","","","","1.026","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4064045","12.3115","0.001","14.1504","0.0012","14.4752","0.0012","75.418","0.002","77.243","0.002","87.722","0.002","2380","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60 B Cl O3 Os P -","- C54 H60 B Cl O3 Os P -","- C108 H120 B2 Cl2 O6 Os2 P2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús","Preparation of Half-Sandwich Alkoxycarbene Complexes of Osmium(II)","Organometallics","2011","30","6","1558","","10.1021/om101105s","","","0.71073","MoKα","","0.0611","0.0386","","","0.0754","0.0851","","","","","","1.043","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064046","18.222","0.003","14.828","0.002","18.678","0.003","90","","101.077","0.003","90","","4952.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H61 B Cl O2 Os P -","- C58 H61 B Cl O2 Os P -","- C232 H244 B4 Cl4 O8 Os4 P4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús","Preparation of Half-Sandwich Alkoxycarbene Complexes of Osmium(II)","Organometallics","2011","30","6","1558","","10.1021/om101105s","","","0.71073","MoKα","","0.0954","0.0412","","","0.0825","0.1125","","","","","","0.975","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064047","13.5866","0.001","13.5816","0.0011","24.7454","0.0018","90","","94.385","0.002","90","","4552.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 B O3 Os P -","- C52 H56 B O3 Os P -","- C208 H224 B4 O12 Os4 P4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús","Preparation of Half-Sandwich Alkoxycarbene Complexes of Osmium(II)","Organometallics","2011","30","6","1558","","10.1021/om101105s","","","0.71073","MoKα","","0.0818","0.0375","","","0.0817","0.1074","","","","","","1.008","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064048","11.3409","0.0005","11.8633","0.0005","13.2487","0.0005","74.605","0.002","82.448","0.002","76.447","0.002","1666.11","0.12","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H52 N4 O4 Zn4 -","- C24 H52 N4 O4 Zn4 -","- C48 H104 N8 O8 Zn8 -","2","1","","Schmidt, Sarah; Schäper, Raphaela; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Insertion Reactions of Heterocumulenes into Zn−C Bonds: Synthesis and Structural Characterization of Multinuclear Zinc Amidate Complexes","Organometallics","2011","30","5","1073","","10.1021/om101107e","","","0.71073","MoKα","","0.0224","0.0197","","","0.0501","0.0515","","","","","","1.085","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064049","9.0753","0.0004","12.382","0.0005","14.3193","0.0006","75.062","0.002","76.264","0.002","71.623","0.002","1453.84","0.11","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H45 N3 O3 Zn3 -","- C21 H45 N3 O3 Zn3 -","- C42 H90 N6 O6 Zn6 -","2","1","","Schmidt, Sarah; Schäper, Raphaela; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Insertion Reactions of Heterocumulenes into Zn−C Bonds: Synthesis and Structural Characterization of Multinuclear Zinc Amidate Complexes","Organometallics","2011","30","5","1073","","10.1021/om101107e","","","0.71073","MoKα","","0.0369","0.0283","","","0.0696","0.0767","","","","","","1.059","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064050","13.2153","0.0007","13.5886","0.0008","18.7837","0.0011","79.754","0.003","86.258","0.003","72.867","0.003","3171.7","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H97 N4 O4 Zn2 -","- C62 H97 N4 O4 Zn2 -","- C124 H194 N8 O8 Zn4 -","2","1","","Schmidt, Sarah; Schäper, Raphaela; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Insertion Reactions of Heterocumulenes into Zn−C Bonds: Synthesis and Structural Characterization of Multinuclear Zinc Amidate Complexes","Organometallics","2011","30","5","1073","","10.1021/om101107e","","","0.71073","MoKα","","0.0522","0.0375","","","0.0978","0.1068","","","","","","1.016","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064051","13.4414","0.0006","11.7373","0.0005","17.4652","0.0008","90","","90","","90","","2755.4","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H34 I N3 O Pd -","- C27 H34 I N3 O Pd -","- C108 H136 I4 N12 O4 Pd4 -","4","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0207","0.0203","","","0.0471","0.0473","","","","","","1.082","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064052","10.2621","0.0005","13.5328","0.0007","14.1804","0.0007","63.95","0.002","71.051","0.002","72.364","0.002","1643.29","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H40 F3 N3 O5 Pd S -","- C31 H34 F3 N3 O5 Pd S -","- C62 H68 F6 N6 O10 Pd2 S2 -","2","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0553","0.0484","","","0.115","0.1189","","","","","","1.067","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064053","12.2756","0.0005","13.6966","0.0005","14.0469","0.0005","70.198","0.004","82.776","0.004","76.276","0.004","2156","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H49 F3 N3 O4 P Pd S -","- C46 H49 F3 N3 O4 P Pd S -","- C92 H98 F6 N6 O8 P2 Pd2 S2 -","2","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0416","0.0291","","","0.0678","0.0703","","","","","","0.983","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064054","12.1373","0.0005","13.408","0.0006","16.7547","0.0007","95","0.002","99.522","0.002","105.51","0.002","2566.23","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H34 Cl N3 O Pd -","- C27.5 H34 Cl N3 O Pd -","- C110 H136 Cl4 N12 O4 Pd4 -","4","2","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0662","0.0532","","","0.1034","0.1082","","","","","","1.137","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064055","10.6664","0.0002","26.7297","0.0003","10.2585","0.0002","90","","108.641","0.003","90","","2771.36","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 N5 O Pd -","- C30 H35 N5 O Pd -","- C120 H140 N20 O4 Pd4 -","4","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0301","0.0224","","","0.0521","0.0533","","","","","","1.035","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064056","19.8663","0.0006","10.1395","0.0003","14.4269","0.0005","90","","109.676","0.004","90","","2736.39","0.16","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 I N3 O2 Pd -","- C28 H34 I N3 O2 Pd -","- C112 H136 I4 N12 O8 Pd4 -","4","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","1.54184","CuKα","","0.0434","0.0342","","","0.0874","0.0921","","","","","","1.038","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064057","19.5562","0.0005","11.9837","0.0003","7.2383","0.0002","90","","100.198","0.004","90","","1669.54","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0503","0.0342","","","0.0826","0.0852","","","","","","0.938","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064058","7.858","0.0002","9.7895","0.0002","8.153","0.0002","90","","108.008","0.003","90","","596.45","0.03","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0282","0.0266","","","0.0706","0.0711","","","","","","1.018","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064059","31.3723","0.0016","12.424","0.0006","21.9332","0.0011","90","","118.671","0.002","90","","7500.7","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 I N4 O Pd -","- C36 H43 I N4 O Pd -","- C288 H344 I8 N32 O8 Pd8 -","8","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0304","0.0268","","","0.0686","0.0701","","","","","","1.055","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064060","13.0014","0.0012","7.8134","0.0007","15.2139","0.0014","90","","111.926","0.002","90","","1433.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0642","0.0599","","","0.124","0.1265","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064061","19.2766","0.0008","8.5432","0.0006","23.3527","0.0009","90","","110.859","0.002","90","","3593.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Cl2 I N4 O Pd -","- C37 H39 Cl2 I N4 O Pd -","- C148 H156 Cl8 I4 N16 O4 Pd4 -","4","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0306","0.0266","","","0.0617","0.0633","","","","","","1.064","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064062","8.3013","0.0003","14.7697","0.0004","16.4066","0.0004","87.25","0.003","75.566","0.004","76.134","0.004","1891.16","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 F3 I N4 O4 Pd S -","- C36 H36 F3 I N4 O4 Pd S -","- C72 H72 F6 I2 N8 O8 Pd2 S2 -","2","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0392","0.0278","","","0.0708","0.0728","","","","","","1.026","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064063","10.6738","0.0002","14.8048","0.0003","22.7526","0.0004","90","","92.482","0.003","90","","3592.07","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 F3 N5 O4 Pd S -","- C35 H46 F3 N5 O4 Pd S -","- C140 H184 F12 N20 O16 Pd4 S4 -","4","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0417","0.0239","","","0.0441","0.0454","","","","","","0.824","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064064","15.4517","0.0017","13.3461","0.0011","15.9493","0.0015","90","","111.807","0.007","90","","3053.7","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 B N2 -","- C37 H35 B N2 -","- C148 H140 B4 N8 -","4","1","","Amarne, Hazem; Baik, Chul; Wang, Rui-Yao; Wang, Suning","Photoisomerization of 1-Phenyl-2-(pyridin-2-yl)indole BMes2: The Dark Isomer","Organometallics","2011","30","4","665","","10.1021/om101111p","","","0.71073","MoKα","","0.3241","0.1122","","","0.2367","0.3252","","","","","","0.879","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064065","7.8712","0.0006","21.2798","0.0014","34.785","0.003","90","","94.42","0.005","90","","5809.1","0.8","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H35 B N2 -","- C37 H35 B N2 -","- C296 H280 B8 N16 -","8","2","","Amarne, Hazem; Baik, Chul; Wang, Rui-Yao; Wang, Suning","Photoisomerization of 1-Phenyl-2-(pyridin-2-yl)indole BMes2: The Dark Isomer","Organometallics","2011","30","4","665","","10.1021/om101111p","","","0.71073","MoKα","","0.2804","0.0745","","","0.1336","0.2122","","","","","","0.95","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064066","12.819","0.003","15.402","0.0009","13.343","0.0009","90","","92.923","0.002","90","","2631","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Al4 O8 -","- C56 H50 Al4 O8 -","- C112 H100 Al8 O16 -","2","0.5","","Karpiniec, Samuel S.; McGuinness, David S.; Gardiner, Michael G.; Yates, Brian F.; Patel, Jim","Revisiting the Aufbau Reaction with Acetylene: Further Insights from Experiment and Theory","Organometallics","2011","30","6","1569","","10.1021/om101114c","","","0.775","Synchrotron","","0.0814","0.0733","","","0.1966","0.2063","","","","","","1.064","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064067","9.961","0.003","11.907","0.003","20.919","0.005","78.717","0.003","88.993","0.011","81.797","0.016","2408.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H56 Al2 O3 -","- C62 H56 Al2 O3 -","- C124 H112 Al4 O6 -","2","1","","Karpiniec, Samuel S.; McGuinness, David S.; Gardiner, Michael G.; Yates, Brian F.; Patel, Jim","Revisiting the Aufbau Reaction with Acetylene: Further Insights from Experiment and Theory","Organometallics","2011","30","6","1569","","10.1021/om101114c","","","0.775","Synchrotron","","0.0823","0.0677","","","0.1738","0.1853","","","","","","1.031","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064069","9.5214","0.0019","9.955","0.002","10.396","0.002","93.09","0.03","111.65","0.03","107.06","0.03","860.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H58 Si8 -","- C20 H58 Si8 -","- C20 H58 Si8 -","1","0.5","","Wallner, Andreas; Hlina, Johann; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph","Conformational Control of Polysilanes: Use of CH(2) Spacers in the Silicon Backbone.","Organometallics","2011","30","15","3930","3938","10.1021/om1011159","","","0.71073","MoKα","","0.0631","0.0558","","","0.1118","0.1148","","","","","","1.246","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064070","10.918","0.002","13.549","0.003","15.158","0.003","79.34","0.03","77.65","0.03","75.41","0.03","2099.3","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H70 Si10 -","- C24 H70 Si10 -","- C48 H140 Si20 -","2","1","","Wallner, Andreas; Hlina, Johann; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph","Conformational Control of Polysilanes: Use of CH(2) Spacers in the Silicon Backbone.","Organometallics","2011","30","15","3930","3938","10.1021/om1011159","","","0.71073","MoKα","","0.1123","0.0918","","","0.182","0.1906","","","","","","1.254","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064071","19.02","0.004","16.414","0.003","29.778","0.006","90","","99.97","0.03","90","","9156","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C208 H608 Si88 -","- C208 H608 Si88 -","- C208 H608 Si88 -","1","0.25","","Wallner, Andreas; Hlina, Johann; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph","Conformational Control of Polysilanes: Use of CH(2) Spacers in the Silicon Backbone.","Organometallics","2011","30","15","3930","3938","10.1021/om1011159","","","0.71073","MoKα","","0.1483","0.0998","","","0.1777","0.1987","","","","","","1.14","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064072","8.0514","0.0016","32.411","0.007","9.924","0.002","90","","111.07","0.03","90","","2416.6","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H82 Si12 -","- C28 H82 Si12 -","- C56 H164 Si24 -","2","0.5","","Wallner, Andreas; Hlina, Johann; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph","Conformational Control of Polysilanes: Use of CH(2) Spacers in the Silicon Backbone.","Organometallics","2011","30","15","3930","3938","10.1021/om1011159","","","0.71073","MoKα","","0.0814","0.0597","","","0.1156","0.124","","","","","","1.113","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064073","15.188","0.003","9.96","0.002","25.704","0.005","90","","103.36","0.03","90","","3783.1","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H62 Si8 -","- C22 H62 Si8 -","- C88 H248 Si32 -","4","0.5","","Wallner, Andreas; Hlina, Johann; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph","Conformational Control of Polysilanes: Use of CH(2) Spacers in the Silicon Backbone.","Organometallics","2011","30","15","3930","3938","10.1021/om1011159","","","0.71073","MoKα","","0.0987","0.093","","","0.198","0.2011","","","","","","1.353","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064074","9.793","0.002","9.793","0.002","15.025","0.003","89.15","0.03","80.67","0.03","88.36","0.03","1421.2","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H44 Si8 -","- C15 H44 Si8 -","- C30 H88 Si16 -","2","1","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Poelt, Peter","Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride.","Organometallics","2011","30","15","3939","3954","10.1021/om1011165","","","0.71073","MoKα","","0.1695","0.0802","","","0.1327","0.165","","","","","","0.966","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064075","9.6431","0.0019","10.1","0.002","15.544","0.003","75.42","0.03","87.67","0.03","78.9","0.03","1437.7","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H46 Si8 -","- C16 H46 Si8 -","- C32 H92 Si16 -","2","1","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Poelt, Peter","Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride.","Organometallics","2011","30","15","3939","3954","10.1021/om1011165","","","0.71073","MoKα","","0.0522","0.0487","","","0.1321","0.135","","","","","","1.088","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064076","9.3855","0.0019","11.547","0.002","16.262","0.003","71.75","0.03","80.8","0.03","73.88","0.03","1602.8","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H52 Si9 -","- C18 H52 Si9 -","- C36 H104 Si18 -","2","1","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Poelt, Peter","Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride.","Organometallics","2011","30","15","3939","3954","10.1021/om1011165","","","0.71073","MoKα","","0.0605","0.0536","","","0.1306","0.1358","","","","","","1.097","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064077","16.278","0.003","10.248","0.002","46.368","0.009","90","","94.92","0.03","90","","7706","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H62 Si10 -","- C21 H62 Si10 -","- C168 H496 Si80 -","8","1","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Poelt, Peter","Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride.","Organometallics","2011","30","15","3939","3954","10.1021/om1011165","","","0.71073","MoKα","","0.0501","0.0426","","","0.0976","0.1004","","","","","","1.161","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064078","9.866","0.002","12.667","0.003","13.42","0.003","72.56","0.03","89.26","0.03","86.28","0.03","1596.6","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H50 Si9 -","- C17 H50 Si9 -","- C34 H100 Si18 -","2","1","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Poelt, Peter","Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride.","Organometallics","2011","30","15","3939","3954","10.1021/om1011165","","","0.71073","MoKα","","0.0499","0.0451","","","0.1028","0.1053","","","","","","1.139","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064079","9.7457","0.0019","17.373","0.004","11.849","0.002","90","","97.06","0.03","90","","1991","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H64 Si10 -","- C22 H64 Si10 -","- C44 H128 Si20 -","2","0.5","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Poelt, Peter","Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride.","Organometallics","2011","30","15","3939","3954","10.1021/om1011165","","","0.71073","MoKα","","0.089","0.0598","","","0.1521","0.1734","","","","","","1.051","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064080","9.7384","0.0019","23.464","0.005","9.82","0.002","90","","114.63","0.03","90","","2039.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H68 Si10 -","- C24 H68 Si10 -","- C48 H136 Si20 -","2","0.5","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Poelt, Peter","Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride.","Organometallics","2011","30","15","3939","3954","10.1021/om1011165","","","0.71073","MoKα","","0.0732","0.0531","","","0.1124","0.1203","","","","","","1.086","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064081","19.71","0.004","10.492","0.002","18.068","0.004","90","","101.12","0.03","90","","3666.3","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H56 Si10 -","- C19 H56 Si10 -","- C76 H224 Si40 -","4","1","","Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Poelt, Peter","Rearrangement/Fragmentation Reactions of Oligosilanes with Aluminum Chloride.","Organometallics","2011","30","15","3939","3954","10.1021/om1011165","","","0.71073","MoKα","","0.0527","0.0467","","","0.1161","0.1198","","","","","","1.051","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064082","16.5675","0.0019","7.7963","0.0008","12.4241","0.0016","90","","108.984","0.013","90","","1517.5","0.3","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 N4 O P -","- C15 H23 N4 O P -","- C60 H92 N16 O4 P4 -","4","1","","Guerriero, Antonella; Erlandsson, Mikael; Ienco, Andrea; Krogstad, Donald A.; Peruzzini, Maurizio; Reginato, Gianna; Gonsalvi, Luca","Iridium(I) Complexes of Upper Rim Functionalized PTA Derivatives. Synthesis, Characterization, and Use in Catalytic Hydrogenations (PTA = 1,3,5-Triaaza-7-phosphaadamantane)","Organometallics","2011","30","7","1874","","10.1021/om1011177","","x-ray","0.71069","MoKα","","0.1047","0.0566","","","0.1332","0.1479","","","","","","0.946","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064083","11.917","0.003","24.975","0.008","12.05","0.003","90","","107.903","0.01","90","","3412.7","1.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cl2 F3 N O3 Ru2 S -","- C30 H40 Cl2 F3 N O3 Ru2 S -","- C120 H160 Cl8 F12 N4 O12 Ru8 S4 -","4","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.1403","0.0582","","","0.1165","0.1486","","","","","","0.962","","","","has coordinates","275144","2022-05-06","20:30:57",""
"4064084","11.949","0.001","12.1985","0.0013","20.7663","0.0016","90","","97.019","0.004","90","","3004.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 N O P Ru2 -","- C30 H44 N O P Ru2 -","- C120 H176 N4 O4 P4 Ru8 -","4","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.0934","0.0537","","","0.1237","0.1374","","","","","","1.021","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064085","19.7902","0.001","16.1809","0.0007","23.1204","0.0008","90","","90","","90","","7403.7","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H55 N3 Ru2 -","- C37 H55 N3 Ru2 -","- C296 H440 N24 Ru16 -","8","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.054","0.0365","","","0.0919","0.0983","","","","","","0.963","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064086","10.463","0.003","18.375","0.005","19.38","0.005","90","","93.921","0.012","90","","3717.2","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 N3 Ru2 -","- C38 H55 N3 Ru2 -","- C152 H220 N12 Ru8 -","4","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.0449","0.0328","","","0.0825","0.089","","","","","","1.035","","","","has coordinates","275145","2022-05-06","20:34:54",""
"4064087","13.59","0.004","20.82","0.004","16.966","0.004","90","","91.196","0.011","90","","4799","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H71 N5 Ru2 -","- C46 H71 N5 Ru2 -","- C184 H284 N20 Ru8 -","4","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.0874","0.0474","","","0.1126","0.13","","","","","","0.994","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064088","18.72","0.004","8.585","0.002","19.149","0.004","90","","105.616","0.009","90","","2963.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H39 N O3 Ru2 -","- C32 H39 N O3 Ru2 -","- C128 H156 N4 O12 Ru8 -","4","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.038","0.0338","","","0.0851","0.0879","","","","","","1.065","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064089","13.738","0.004","11.626","0.003","23.086","0.008","90","","91.268","0.012","90","","3686.3","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H57 N Ru2 Si2 -","- C37 H57 N Ru2 Si2 -","- C148 H228 N4 Ru8 Si8 -","4","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.076","0.0479","","","0.1182","0.1331","","","","","","1.028","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064090","11.463","0.003","21.894","0.006","16.896","0.004","90","","90.331","0.01","90","","4240.3","1.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 F3 N O3 Ru2 S -","- C46 H52 F3 N O3 Ru2 S -","- C184 H208 F12 N4 O12 Ru8 S4 -","4","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.0879","0.0533","","","0.133","0.1527","","","","","","1.01","","","","has coordinates","275145","2022-05-06","20:34:54",""
"4064091","9.499","0.003","12.149","0.005","18.523","0.009","71.544","0.017","81.347","0.017","88.356","0.014","2004.2","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H56 F3 N O3 Ru2 S -","- C40 H56 F3 N O3 Ru2 S -","- C80 H112 F6 N2 O6 Ru4 S2 -","2","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.0785","0.0456","","","0.1021","0.1187","","","","","","1.016","","","","has coordinates","275145","2022-05-06","20:34:54",""
"4064092","7.863","0.002","20.879","0.003","11.042","0.003","90","","106.14","0.03","90","","1741.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br Fe -","- C22 H17 Br Fe -","- C88 H68 Br4 Fe4 -","4","1","","Donoli, Alessandro; Bisello, Annalisa; Cardena, Roberta; Benetollo, Franco; Ceccon, Alberto; Santi, Saverio","Single Two-Electron Transfers and Successive One-Electron Transfers in Biferrocenyl−Indacene Isomers§","Organometallics","2011","30","5","1116","","10.1021/om101123a","","","0.71073","MoKα","","0.0802","0.0626","","","0.1347","0.146","","","","","","1.245","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064093","10.7349","0.0002","17.5335","0.0004","22.1591","0.0004","90","","100.874","0.002","90","","4095.9","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H63 B9 N3 O2 Sc -","- C37 H63 B9 N3 O2 Sc -","- C148 H252 B36 N12 O8 Sc4 -","4","1","","Trambitas, Alexandra G.; Yang, Jingying; Melcher, Daniel; Daniliuc, Constantin G.; Jones, Peter G.; Xie, Zuowei; Tamm, Matthias","Synthesis and Structure of Rare-Earth-Metal Dicarbollide Complexes with an Imidazolin-2-iminato Ligand Featuring Very Short Metal−Nitrogen Bonds","Organometallics","2011","30","5","1122","","10.1021/om1011243","","","1.54184","CuKα","","0.0435","0.0404","","","0.1123","0.1147","","","","","","1.084","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064094","10.7992","0.0002","17.4516","0.0004","22.4186","0.0004","90","","99.785","0.002","90","","4163.62","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H63 B9 N3 O2 Y -","- C37 H63 B9 N3 O2 Y -","- C148 H252 B36 N12 O8 Y4 -","4","1","","Trambitas, Alexandra G.; Yang, Jingying; Melcher, Daniel; Daniliuc, Constantin G.; Jones, Peter G.; Xie, Zuowei; Tamm, Matthias","Synthesis and Structure of Rare-Earth-Metal Dicarbollide Complexes with an Imidazolin-2-iminato Ligand Featuring Very Short Metal−Nitrogen Bonds","Organometallics","2011","30","5","1122","","10.1021/om1011243","","","0.71073","MoKα","","0.0483","0.0302","","","0.0675","0.0692","","","","","","0.931","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064095","13.9306","0.0004","15.8819","0.0004","18.9486","0.0004","90","","98.464","0.002","90","","4146.61","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H64 B9 N4 O Sc -","- C37 H64 B9 N4 O Sc -","- C148 H256 B36 N16 O4 Sc4 -","4","1","","Trambitas, Alexandra G.; Yang, Jingying; Melcher, Daniel; Daniliuc, Constantin G.; Jones, Peter G.; Xie, Zuowei; Tamm, Matthias","Synthesis and Structure of Rare-Earth-Metal Dicarbollide Complexes with an Imidazolin-2-iminato Ligand Featuring Very Short Metal−Nitrogen Bonds","Organometallics","2011","30","5","1122","","10.1021/om1011243","","","0.71073","MoKα","","0.0937","0.0453","","","0.0962","0.1026","","","","","","0.843","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064096","10.1838","0.0004","11.7374","0.0004","21.4661","0.0008","96.415","0.003","92.025","0.003","98.546","0.003","2517.97","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H80 B9 N4 O3 Y -","- C41 H72 B9 N4 O2 Y -","- C82 H144 B18 N8 O4 Y2 -","2","1","","Trambitas, Alexandra G.; Yang, Jingying; Melcher, Daniel; Daniliuc, Constantin G.; Jones, Peter G.; Xie, Zuowei; Tamm, Matthias","Synthesis and Structure of Rare-Earth-Metal Dicarbollide Complexes with an Imidazolin-2-iminato Ligand Featuring Very Short Metal−Nitrogen Bonds","Organometallics","2011","30","5","1122","","10.1021/om1011243","","","0.71073","MoKα","","0.1036","0.0467","","","0.0531","0.0564","","","","","","0.829","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064097","10.1178","0.0004","11.6476","0.0004","21.4015","0.001","96.897","0.004","92.09","0.004","98.288","0.004","2474.01","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H80 B9 Lu N4 O3 -","- C41 H72 B9 Lu N4 O2 -","- C82 H144 B18 Lu2 N8 O4 -","2","1","","Trambitas, Alexandra G.; Yang, Jingying; Melcher, Daniel; Daniliuc, Constantin G.; Jones, Peter G.; Xie, Zuowei; Tamm, Matthias","Synthesis and Structure of Rare-Earth-Metal Dicarbollide Complexes with an Imidazolin-2-iminato Ligand Featuring Very Short Metal−Nitrogen Bonds","Organometallics","2011","30","5","1122","","10.1021/om1011243","","","1.54184","CuKα","","0.0377","0.0329","","","0.0829","0.0844","","","","","","1.078","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064098","10.125","0.005","12.243","0.005","20.164","0.009","96.541","0.008","93.202","0.008","106.821","0.008","2366.6","1.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H77 B9 N5 O2 Y -","- C39 H69 B9 N5 O Y -","- C78 H138 B18 N10 O2 Y2 -","2","1","","Trambitas, Alexandra G.; Yang, Jingying; Melcher, Daniel; Daniliuc, Constantin G.; Jones, Peter G.; Xie, Zuowei; Tamm, Matthias","Synthesis and Structure of Rare-Earth-Metal Dicarbollide Complexes with an Imidazolin-2-iminato Ligand Featuring Very Short Metal−Nitrogen Bonds","Organometallics","2011","30","5","1122","","10.1021/om1011243","","","0.71073","MoKα","","0.1184","0.0611","","","0.1262","0.1442","","","","","","0.904","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064099","38.348","0.006","17.036","0.003","17.959","0.003","90","","116.138","0.004","90","","10533","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H70 B9 N4 O2 Y -","- C36 H62 B9 N4 O Y -","- C288 H496 B72 N32 O8 Y8 -","8","1","","Trambitas, Alexandra G.; Yang, Jingying; Melcher, Daniel; Daniliuc, Constantin G.; Jones, Peter G.; Xie, Zuowei; Tamm, Matthias","Synthesis and Structure of Rare-Earth-Metal Dicarbollide Complexes with an Imidazolin-2-iminato Ligand Featuring Very Short Metal−Nitrogen Bonds","Organometallics","2011","30","5","1122","","10.1021/om1011243","","","0.71073","MoKα","","0.1525","0.0793","","","0.2009","0.2256","","","","","","0.909","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064100","18.6619","0.0007","19.2134","0.0006","10.4001","0.0003","90","","90","","90","","3729","0.2","100","2","100","0.1","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C37 H46 Cl4 Fe4 O3 P2 -","- C37 H46 Cl4 Fe4 O3 P2 -","- C148 H184 Cl16 Fe16 O12 P8 -","4","0.5","","Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ramos, Alberto; Ruiz, Miguel A.","Synthesis and Decarbonylation Reactions of Diiron Cyclopentadienyl Complexes with Bent-Phosphinidene Bridges","Organometallics","2011","30","5","1102","","10.1021/om101125g","","x-ray","0.71073","MoKα","","0.0744","0.0374","","","0.0613","0.0715","","","","","","1.003","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064101","23.646","0.002","9.1154","0.0009","33.408","0.003","90","","104.087","0.005","90","","6984.3","1.1","100","0.1","100","0.1","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Fe3 O3 P2 -","- C36 H38 Fe3 O3 P2 -","- C288 H304 Fe24 O24 P16 -","8","1","","Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ramos, Alberto; Ruiz, Miguel A.","Synthesis and Decarbonylation Reactions of Diiron Cyclopentadienyl Complexes with Bent-Phosphinidene Bridges","Organometallics","2011","30","5","1102","","10.1021/om101125g","","x-ray","0.71073","MoKα","","0.1176","0.0593","","","0.1282","0.146","","","","","","0.973","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064102","12.9528","0.0008","13.0824","0.0008","17.9545","0.0009","109.096","0.005","93.843","0.005","113.136","0.006","2576","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C101 H132 Br2 Cl4 N6 O6 Ru2 S2 -","- C101 H132 Br2 Cl4 N6 O6 Ru2 S2 -","- C101 H132 Br2 Cl4 N6 O6 Ru2 S2 -","1","0.5","","Szadkowska, Anna; Żukowska, Karolina; Pazio, Aleksandra E.; Woźniak, Krzysztof; Kadyrov, Renat; Grela, Karol","Ruthenium Olefin Metathesis Catalysts Containing Six-Membered Sulfone and Sulfonamide Chelating Rings","Organometallics","2011","30","5","1130","1138","10.1021/om101129b","","","0.71073","MoKα","","0.1875","0.1697","","","0.1937","0.1991","","","","","","1.557","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064103","15.3221","0.001","10.082","0.0006","18.643","0.002","90","","125.895","0.001","90","","2333","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 B F4 N2 O10 Ru3 -","- C15 H7 B F4 N2 O10 Ru3 -","- C60 H28 B4 F16 N8 O40 Ru12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Pruneda, Vanessa","Reactivity of Cationic Triruthenium Carbonyl Clusters: From Pyrimidinium Ligands to N-Heterocyclic Carbenes","Organometallics","2011","30","5","1148","","10.1021/om101130g","","","0.71073","MoKα","","0.0877","0.0468","","","0.0989","0.1357","","","","","","1.003","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064104","8.8891","0.0002","8.9331","0.0002","12.7932","0.0004","90.455","0.002","94.805","0.002","110.822","0.002","945.41","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 N2 O9 Ru3 -","- C14 H8 N2 O9 Ru3 -","- C28 H16 N4 O18 Ru6 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Pruneda, Vanessa","Reactivity of Cationic Triruthenium Carbonyl Clusters: From Pyrimidinium Ligands to N-Heterocyclic Carbenes","Organometallics","2011","30","5","1148","","10.1021/om101130g","","","1.54184","CuKα","","0.0333","0.0318","","","0.0888","0.0954","","","","","","1.013","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064105","15.3241","0.0002","12.5768","0.0002","9.8728","0.0002","90","","90","","90","","1902.77","0.05","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H8 N2 O9 Ru3 -","- C14 H8 N2 O9 Ru3 -","- C56 H32 N8 O36 Ru12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Pruneda, Vanessa","Reactivity of Cationic Triruthenium Carbonyl Clusters: From Pyrimidinium Ligands to N-Heterocyclic Carbenes","Organometallics","2011","30","5","1148","","10.1021/om101130g","","","1.54184","CuKα","","0.0991","0.0955","","","0.2387","0.2619","","","","","","1.155","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064106","9.9402","0.0004","16.8374","0.0008","12.8337","0.0006","90","","96.81","0.004","90","","2132.79","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H16 Cl2 N4 O18 Ru6 -","- C29 H16 Cl2 N4 O18 Ru6 -","- C58 H32 Cl4 N8 O36 Ru12 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Pruneda, Vanessa","Reactivity of Cationic Triruthenium Carbonyl Clusters: From Pyrimidinium Ligands to N-Heterocyclic Carbenes","Organometallics","2011","30","5","1148","","10.1021/om101130g","","","1.5418","CuKα","","0.0692","0.0598","","","0.1464","0.1537","","","","","","1.088","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064107","16.8303","0.0001","13.6258","0.0001","34.772","0.0003","90","","90","","90","","7974.13","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H14 N4 O18 Ru6 -","- C28 H14 N4 O18 Ru6 -","- C224 H112 N32 O144 Ru48 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Pruneda, Vanessa","Reactivity of Cationic Triruthenium Carbonyl Clusters: From Pyrimidinium Ligands to N-Heterocyclic Carbenes","Organometallics","2011","30","5","1148","","10.1021/om101130g","","","1.5418","CuKα","","0.0409","0.0342","","","0.0938","0.0978","","","","","","1.055","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064108","9.9252","0.0007","33.704","0.002","11.0361","0.0007","90","","109.367","0.001","90","","3482.9","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C6H10[OSSO]H2","C6H10[OSSO]H2","","- C36 H56 O2 S2 -","- C36 H56 O2 S2 -","- C144 H224 O8 S8 -","4","1","","Ishii, Akihiko; Asajima, Kanako; Toda, Tomoyuki; Nakata, Norio","Synthesis of Titanium(IV) and Zirconium(IV) Complexes with an [OSSO]-Type Bis(phenolate) Ligand Bearing atrans-Cyclohexane-1,2-diyl Ring and 1-Hexene Polymerization","Organometallics","2011","30","11","2947","","10.1021/om101131k","","","0.71073","MoKα","","0.0767","0.0661","","","0.1794","0.1864","","","","","","1.094","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064109","12.8816","0.0011","5.8757","0.0005","17.563","0.0015","90","","99.197","0.002","90","","1312.23","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N2 O P -","- C13 H17 N2 O P -","- C52 H68 N8 O4 P4 -","4","1","","Hu, Dan-Fu; Weng, Chia-Ming; Hong, Fung-E","Preparation of New Buchwald-Type Secondary Phosphine Oxide Ligands and Applications in Suzuki−Miyaura Reactions","Organometallics","2011","30","5","1139","","10.1021/om101132t","","","0.71073","MoKα","","0.0419","0.0379","","","0.1443","0.1515","","","","","","1.024","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064110","7.1942","0.0007","12.486","0.0012","14.8755","0.0013","90","","90.735","0.002","90","","1336.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N2 O P -","- C13 H15 N2 O P -","- C52 H60 N8 O4 P4 -","4","1","","Hu, Dan-Fu; Weng, Chia-Ming; Hong, Fung-E","Preparation of New Buchwald-Type Secondary Phosphine Oxide Ligands and Applications in Suzuki−Miyaura Reactions","Organometallics","2011","30","5","1139","","10.1021/om101132t","","","0.71073","MoKα","","0.0486","0.0445","","","0.1624","0.1725","","","","","","1.02","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064111","10.0071","0.0004","13.965","0.0005","14.1585","0.0006","64.689","0.004","78.257","0.004","83.434","0.003","1750.42","0.13","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H34 Cl4 N4 O2 P2 Pd -","- C27 H34 Cl4 N4 O2 P2 Pd -","- C54 H68 Cl8 N8 O4 P4 Pd2 -","2","1","","Hu, Dan-Fu; Weng, Chia-Ming; Hong, Fung-E","Preparation of New Buchwald-Type Secondary Phosphine Oxide Ligands and Applications in Suzuki−Miyaura Reactions","Organometallics","2011","30","5","1139","","10.1021/om101132t","","","0.71073","MoKα","","0.0712","0.0546","","","0.2117","0.2176","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064112","10.7115","0.0008","13.4221","0.001","16.4598","0.0012","69.137","0.007","83.972","0.006","72.689","0.007","2111.1","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H44 Br2 Cl6 N4 O4 P2 Pd -","- C31 H44 Br2 Cl6 N4 O4 P2 Pd -","- C62 H88 Br4 Cl12 N8 O8 P4 Pd2 -","2","1","","Hu, Dan-Fu; Weng, Chia-Ming; Hong, Fung-E","Preparation of New Buchwald-Type Secondary Phosphine Oxide Ligands and Applications in Suzuki−Miyaura Reactions","Organometallics","2011","30","5","1139","","10.1021/om101132t","","","0.71073","MoKα","","0.0599","0.0396","","","0.095","0.1026","","","","","","1","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064113","9.4095","0.0003","16.1661","0.0006","19.8026","0.0007","90","","93.133","0.003","90","","3007.77","0.18","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl2 N4 O2 P2 Pd2 -","- C26 H34 Cl2 N4 O2 P2 Pd2 -","- C104 H136 Cl8 N16 O8 P8 Pd8 -","4","1","","Hu, Dan-Fu; Weng, Chia-Ming; Hong, Fung-E","Preparation of New Buchwald-Type Secondary Phosphine Oxide Ligands and Applications in Suzuki−Miyaura Reactions","Organometallics","2011","30","5","1139","","10.1021/om101132t","","","0.71073","MoKα","","0.0688","0.0482","","","0.122","0.1272","","","","","","1.008","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064114","24.0912","0.0012","9.3608","0.0004","14.9969","0.001","90","","96.185","0.005","90","","3362.3","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Br2 N4 O4 P2 Pd2 -","- C28 H38 Br2 N4 O4 P2 Pd2 -","- C112 H152 Br8 N16 O16 P8 Pd8 -","4","1","","Hu, Dan-Fu; Weng, Chia-Ming; Hong, Fung-E","Preparation of New Buchwald-Type Secondary Phosphine Oxide Ligands and Applications in Suzuki−Miyaura Reactions","Organometallics","2011","30","5","1139","","10.1021/om101132t","","","0.71073","MoKα","","0.0721","0.0396","","","0.0826","0.0882","","","","","","0.945","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064115","15.4074","0.0006","9.9765","0.0002","20.8968","0.0007","90","","106.406","0.003","90","","3081.31","0.18","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H50 Al O Ti -","- C33 H50 Al O Ti -","- C132 H200 Al4 O4 Ti4 -","4","1","","Burlakov, Vladimir V.; Kaleta, Katharina; Beweries, Torsten; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Shur, Vladimir B.; Rosenthal, Uwe","Reactions of Five-Membered Metallacyclocumulenes Cp2M(η4-t-Bu-C4-t-Bu) (M = Ti, Zr) with Diisobutylaluminum Hydride","Organometallics","2011","30","5","1157","","10.1021/om1011374","","","0.71073","MoKα","","0.086","0.0446","","","0.0909","0.0997","","","","","","0.852","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064116","9.1515","0.0004","11.573","0.0005","14.0031","0.0006","112.794","0.003","104.407","0.003","90.464","0.003","1315.16","0.11","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H96 Al4 -","- C48 H96 Al4 -","- C48 H96 Al4 -","1","0.5","","Burlakov, Vladimir V.; Kaleta, Katharina; Beweries, Torsten; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Shur, Vladimir B.; Rosenthal, Uwe","Reactions of Five-Membered Metallacyclocumulenes Cp2M(η4-t-Bu-C4-t-Bu) (M = Ti, Zr) with Diisobutylaluminum Hydride","Organometallics","2011","30","5","1157","","10.1021/om1011374","","","0.71073","MoKα","","0.0794","0.0595","","","0.1689","0.1781","","","","","","1.081","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064117","11.6008","0.0011","24.367","0.002","14.0346","0.0014","90","","99.649","0.002","90","","3911.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H120 Ca2 Cl2 N4 O5 -","- C76 H120 Ca2 Cl2 N4 O5 -","- C152 H240 Ca4 Cl4 N8 O10 -","2","0.5","","Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Li, Shaoguang; Gao, Jing; Yang, Peiju; Xia, Yana; Wu, Biao","Calcium Complexes of Noninnocent α-Diimine Ligands","Organometallics","2011","30","6","1599","","10.1021/om101139n","","","0.71073","MoKα","","0.1486","0.0577","","","0.1286","0.1656","","","","","","0.959","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064118","25.9938","0.0011","12.4388","0.0004","20.2351","0.0006","90","","107.827","0.002","90","","6228.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H88 Ca2 Cl2 N4 O4 -","- C60 H88 Ca2 Cl2 N4 O4 -","- C240 H352 Ca8 Cl8 N16 O16 -","4","0.5","","Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Li, Shaoguang; Gao, Jing; Yang, Peiju; Xia, Yana; Wu, Biao","Calcium Complexes of Noninnocent α-Diimine Ligands","Organometallics","2011","30","6","1599","","10.1021/om101139n","","","0.71073","MoKα","","0.1065","0.0512","","","0.1441","0.1744","","","","","","1.149","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064119","11.188","0.003","35.056","0.01","16.275","0.005","90","","90","","90","","6383","3","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C60 H80 Ca K2 N4 O -","- C60 H80 Ca K2 N4 O -","- C240 H320 Ca4 K8 N16 O4 -","4","0.5","","Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Li, Shaoguang; Gao, Jing; Yang, Peiju; Xia, Yana; Wu, Biao","Calcium Complexes of Noninnocent α-Diimine Ligands","Organometallics","2011","30","6","1599","","10.1021/om101139n","","","0.71073","MoKα","","0.2055","0.0662","","","0.1362","0.1995","","","","","","0.948","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064120","24.336","0.003","10.3217","0.0012","24.188","0.003","90","","104.722","0.004","90","","5876.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H88 Ca N4 Na2 O4 -","- C60 H88 Ca N4 Na2 O4 -","- C240 H352 Ca4 N16 Na8 O16 -","4","0.5","","Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Li, Shaoguang; Gao, Jing; Yang, Peiju; Xia, Yana; Wu, Biao","Calcium Complexes of Noninnocent α-Diimine Ligands","Organometallics","2011","30","6","1599","","10.1021/om101139n","","","0.71073","MoKα","","0.1781","0.067","","","0.164","0.2128","","","","","","0.943","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064121","20.968","0.002","19.331","0.002","25.286","0.003","90","","112.349","0.002","90","","9479.4","1.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81.33 H130.67 Ca2 Cl4 Li4 N4 O6.33 -","- C81.32 H130.64 Ca2 Cl4 Li4 N4 O6.33 -","- C325.28 H522.56 Ca8 Cl16 Li16 N16 O25.32 -","4","0.5","","Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Li, Shaoguang; Gao, Jing; Yang, Peiju; Xia, Yana; Wu, Biao","Calcium Complexes of Noninnocent α-Diimine Ligands","Organometallics","2011","30","6","1599","","10.1021/om101139n","","","0.71073","MoKα","","0.1271","0.0699","","","0.1981","0.2413","","","","","","1.039","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064122","13.2232","0.0002","7.9543","0.0001","32.1113","0.0006","90","","101.532","0.0007","90","","3309.32","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 Cl2 N2 Ru S -","- C37 H42 Cl2 N2 Ru S -","- C148 H168 Cl8 N8 Ru4 S4 -","4","1","","Aharoni, Anna; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Ligand Isomerization in Sulfur-Chelated Ruthenium Benzylidenes","Organometallics","2011","30","6","1607","","10.1021/om1011402","","","0.71073","MoKα","","0.0788","0.0495","","","0.1239","0.1406","","","","","","1.062","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064123","15.7063","0.0007","15.3923","0.0009","19.8339","0.0012","90","","112.494","0.003","90","","4430.2","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 Cl2 N2 Ru S -","- C39 H46 Cl2 N2 Ru S -","- C156 H184 Cl8 N8 Ru4 S4 -","4","1","","Aharoni, Anna; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Ligand Isomerization in Sulfur-Chelated Ruthenium Benzylidenes","Organometallics","2011","30","6","1607","","10.1021/om1011402","","","0.71073","MoKα","","0.1249","0.0633","","","0.1561","0.1814","","","","","","0.927","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064124","16.3458","0.0002","16.3996","0.0002","34.2389","0.0005","90","","90","","90","","9178.2","0.2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H62 Cl4 N2 Ru S -","- C47 H62 Cl4 N2 Ru S -","- C376 H496 Cl32 N16 Ru8 S8 -","8","1","","Aharoni, Anna; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Ligand Isomerization in Sulfur-Chelated Ruthenium Benzylidenes","Organometallics","2011","30","6","1607","","10.1021/om1011402","","","0.71073","MoKα","","0.0855","0.0506","","","0.1224","0.1401","","","","","","1.042","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064125","14.4425","0.0012","14.801","0.002","15.0311","0.0014","109.162","0.002","93.823","0.003","105.541","0.002","2881.6","0.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H27 Cl5 N4 O7 Re2 S12 -","- C43 H27 Cl5 N4 O7 Re2 S12 -","- C86 H54 Cl10 N8 O14 Re4 S24 -","2","1","","Qin, Jie; Hu, Liang; Li, Gao-Nan; Wang, Xi-Sen; Xu, Yan; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Characterization, and Properties of Rhenium(I) Tricarbonyl Complexes with Tetrathiafulvalene-Fused Phenanthroline Ligands","Organometallics","2011","30","8","2173","","10.1021/om101141h","","","0.71073","MoKα","","0.078","0.0526","","","0.1077","0.1142","","","","","","1.041","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064126","14.389","0.007","16.543","0.008","27.721","0.014","90.112","0.007","95.046","0.007","110.247","0.007","6163","5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H52 Cl10 N8 O29 Re4 S16 -","- C94 H52 Cl10 N8 O29 Re4 S16 -","- C188 H104 Cl20 N16 O58 Re8 S32 -","2","1","","Qin, Jie; Hu, Liang; Li, Gao-Nan; Wang, Xi-Sen; Xu, Yan; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Characterization, and Properties of Rhenium(I) Tricarbonyl Complexes with Tetrathiafulvalene-Fused Phenanthroline Ligands","Organometallics","2011","30","8","2173","","10.1021/om101141h","","","0.71073","MoKα","","0.0682","0.0452","","","0.0912","0.096","","","","","","1.056","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064127","10.2754","0.0004","22.3544","0.0007","14.0485","0.0004","90","","118.565","0.002","90","","2834.15","0.17","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cr O5 P4 -","- C29 H20 Cr O5 P4 -","- C116 H80 Cr4 O20 P16 -","4","1","","Tran Huy, Ngoc Hoa; Lu, Yunpeng; Mathey, François","Oligomerization of Terminal Phosphinidene Complexes","Organometallics","2011","30","6","1734","","10.1021/om101144n","","","0.71073","MoKα","","0.0469","0.0334","","","0.0723","0.0781","","","","","","1.027","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064128","21.1483","0.0006","16.7117","0.0004","18.821","0.0005","90","","105.604","0.001","90","","6406.6","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.25 H6.5 Cl0.5 O15 P2 S2 W3 -","- C23.25 H6.5 Cl0.5 O15 P2 S2 W3 -","- C186 H52 Cl4 O120 P16 S16 W24 -","8","2","","Tran Huy, Ngoc Hoa; Lu, Yunpeng; Mathey, François","Oligomerization of Terminal Phosphinidene Complexes","Organometallics","2011","30","6","1734","","10.1021/om101144n","","","0.71073","MoKα","","0.0834","0.0599","","","0.1172","0.131","","","","","","1.168","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064129","11.8633","0.0005","21.0617","0.0008","12.605","0.0005","90","","92.847","0.002","90","","3145.6","0.2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H12 N2 O15 P2 W3 -","- C25 H12 N2 O15 P2 W3 -","- C100 H48 N8 O60 P8 W12 -","4","1","","Tran Huy, Ngoc Hoa; Lu, Yunpeng; Mathey, François","Oligomerization of Terminal Phosphinidene Complexes","Organometallics","2011","30","6","1734","","10.1021/om101144n","","","0.71073","MoKα","","0.0503","0.0366","","","0.0954","0.1203","","","","","","1.188","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064130","8.968","0.002","20.096","0.005","14.885","0.004","90","","104.782","0.006","90","","2593.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 Cl2 N3 Ru -","- C23 H39 Cl2 N3 Ru -","- C92 H156 Cl8 N12 Ru4 -","4","1","","Prades, Amparo; Peris, Eduardo; Albrecht, Martin","Oxidations and Oxidative Couplings Catalyzed by Triazolylidene Ruthenium Complexes","Organometallics","2011","30","5","1162","","10.1021/om101145y","","","0.71073","MoKα","","0.072","0.0482","","","0.0995","0.1096","","","","","","1.11","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064131","12.3938","0.0007","18.4376","0.001","22.1958","0.0013","90","","90","","90","","5072","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H30 B Cl N4 Ru -","- C28 H30 B Cl N4 Ru -","- C224 H240 B8 Cl8 N32 Ru8 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Cerquetella, Adele; Pettinari, Riccardo; Monari, Magda; Mac Leod, Tatiana C. O.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Coordination Chemistry of the (η6-p-Cymene)ruthenium(II) Fragment with Bis-, Tris-, and Tetrakis(pyrazol-1-yl)borate Ligands: Synthesis, Structural, Electrochemical, and Catalytic Diastereoselective Nitroaldol Reaction Studies","Organometallics","2011","30","6","1616","","10.1021/om101146q","","","0.71073","MoKα","","0.0442","0.0301","","","0.0757","0.083","","","","","","1.018","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064132","7.8295","0.0003","15.47","0.0006","17.3123","0.0007","90","","100.905","0.001","90","","2059.04","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 B Cl N6 Ru -","- C19 H24 B Cl N6 Ru -","- C76 H96 B4 Cl4 N24 Ru4 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Cerquetella, Adele; Pettinari, Riccardo; Monari, Magda; Mac Leod, Tatiana C. O.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Coordination Chemistry of the (η6-p-Cymene)ruthenium(II) Fragment with Bis-, Tris-, and Tetrakis(pyrazol-1-yl)borate Ligands: Synthesis, Structural, Electrochemical, and Catalytic Diastereoselective Nitroaldol Reaction Studies","Organometallics","2011","30","6","1616","","10.1021/om101146q","","","0.71073","MoKα","","0.042","0.0314","","","0.0799","0.085","","","","","","1.049","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064133","12.4085","0.0003","12.4085","0.0003","16.4055","0.0005","90","","90","","120","","2187.55","0.1","173","2","173","2","","","","","","","","6","P 32","P 32","145","","","","- C29 H34 F6 Ir N2 P -","- C29 H34 F6 Ir N2 P -","- C87 H102 F18 Ir3 N6 P3 -","3","1","","Barloy, Laurent; Issenhuth, Jean-Thomas; Weaver, Marisa G.; Pannetier, Nicolas; Sirlin, Claude; Pfeffer, Michel","Reaction of Chiral Secondary Amines with [(η5-C5Me5)MCl2]2(M = Rh(III), Ir(III)): Cyclometalation with or without Dehydrogenation","Organometallics","2011","30","5","1168","","10.1021/om101148v","","","0.71073","MoKα","","0.0544","0.0495","","","0.1298","0.1403","","","","","","1.051","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064134","9.5418","0.0003","11.9381","0.0002","12.8317","0.0004","87.645","0.002","89.994","0.001","77.418","0.002","1425.31","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H32 F3 N2 O3 Rh S -","- C29 H32 F3 N2 O3 Rh S -","- C58 H64 F6 N4 O6 Rh2 S2 -","2","1","","Barloy, Laurent; Issenhuth, Jean-Thomas; Weaver, Marisa G.; Pannetier, Nicolas; Sirlin, Claude; Pfeffer, Michel","Reaction of Chiral Secondary Amines with [(η5-C5Me5)MCl2]2(M = Rh(III), Ir(III)): Cyclometalation with or without Dehydrogenation","Organometallics","2011","30","5","1168","","10.1021/om101148v","","","0.71073","MoKα","","0.0463","0.0395","","","0.1063","0.1254","","","","","","1.224","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064135","11.6528","0.0004","15.3307","0.0005","16.6441","0.0005","90","","90","","90","","2973.39","0.17","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 F3 Ir N2 O3 S -","- C29 H34 F3 Ir N2 O3 S -","- C116 H136 F12 Ir4 N8 O12 S4 -","4","1","","Barloy, Laurent; Issenhuth, Jean-Thomas; Weaver, Marisa G.; Pannetier, Nicolas; Sirlin, Claude; Pfeffer, Michel","Reaction of Chiral Secondary Amines with [(η5-C5Me5)MCl2]2(M = Rh(III), Ir(III)): Cyclometalation with or without Dehydrogenation","Organometallics","2011","30","5","1168","","10.1021/om101148v","","","0.71073","MoKα","","0.0256","0.022","","","0.0528","0.0544","","","","","","1.049","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064136","8.3425","0.0002","18.9197","0.0005","15.7363","0.0005","90","","94.9595","0.0009","90","","2474.48","0.12","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(tBuPCO)u-PdCl(u-Cl)]2","(3)","","- C48 H74 Cl4 O2 P2 Pd2 -","- C48 H74 Cl4 O2 P2 Pd2 -","- C96 H148 Cl8 O4 P4 Pd4 -","2","0.5","","Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand","Organometallics","2011","30","6","1627","","10.1021/om101150y","","","0.71073","MoKα","","0.0569","0.0355","","","0.0797","0.0873","","","","","","1.042","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064137","13.9642","0.0006","16.3495","0.0008","8.105","0.0003","90","","102.614","0.004","90","","1805.77","0.14","130","2","130","2","","","","","","","","6","C 1 c 1","C -2yc","9","(tBuPCO)PdCl","(4)","","- C17 H28 Cl O P Pd -","- C17 H28 Cl O P Pd -","- C68 H112 Cl4 O4 P4 Pd4 -","4","1","","Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand","Organometallics","2011","30","6","1627","","10.1021/om101150y","","","0.71073","MoKα","","0.0425","0.0357","","","0.0792","0.0818","","","","","","1.047","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064138","9.7961","0.001","19.388","0.003","19.765","0.002","96.546","0.013","96.997","0.012","96.935","0.004","3667","0.8","130","2","130","2","","","","","","","","7","P -1","-P 1","2","[(tBuPCO)Pd]2(?-OH)[B(ArF)4]","(6)","","- C139 H146 B2 F48 O6 P4 Pd4 -","- C139 H146 B2 F48 O6 P4 Pd4 -","- C139 H146 B2 F48 O6 P4 Pd4 -","1","0.5","","Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand","Organometallics","2011","30","6","1627","","10.1021/om101150y","","","0.71073","MoKα","","0.2446","0.0707","","","0.1166","0.1684","","","","","","0.87","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064139","8.0094","0.0001","24.7036","0.0004","8.8542","0.0001","90","","97.415","0.001","90","","1737.25","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(tBuPCO)u-Pd(u-OH)]2","(7)","","- C34 H58 O4 P2 Pd2 -","- C34 H58 O4 P2 Pd2 -","- C68 H116 O8 P4 Pd4 -","2","0.5","","Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand","Organometallics","2011","30","6","1627","","10.1021/om101150y","","","0.71073","MoKα","","0.0165","0.0155","","","0.0445","0.0453","","","","","","0.999","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064140","9.6066","0.0002","10.5079","0.0002","25.9114","0.0005","90","","94.311","0.001","90","","2608.23","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(tBuPCO)PdO(CO)OH","(8)","","- C27 H29 D9 O4 P Pd -","- C27 H29 D9 O4 P Pd -","- C108 H116 D36 O16 P4 Pd4 -","4","1","","Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand","Organometallics","2011","30","6","1627","","10.1021/om101150y","","","0.71073","MoKα","","0.0235","0.0204","","","0.0484","0.0499","","","","","","1.106","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064141","52.6","0.003","11.1482","0.0006","12.4825","0.0006","90","","95.827","0.006","90","","7281.9","0.7","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(tBuPCO)Pd]2(?-CO3)","(9)","","- C35 H56 O5 P2 Pd2 -","- C35 H56 O5 P2 Pd2 -","- C280 H448 O40 P16 Pd16 -","8","1","","Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand","Organometallics","2011","30","6","1627","","10.1021/om101150y","","","0.71073","MoKα","","0.0758","0.0677","","","0.1392","0.143","","","","","","1.237","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064142","16.8737","0.0003","14.6964","0.0006","22.3909","0.0007","90","","90","","90","","5552.6","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H36 F6 N3 O P Ru -","- C25 H36 F6 N3 O P Ru -","- C200 H288 F48 N24 O8 P8 Ru8 -","8","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Mechanistic Investigation of the Hydrogenation of Ketones Catalyzed by a Ruthenium(II) Complex Featuring an N-Heterocyclic Carbene with a Tethered Primary Amine Donor: Evidence for an Inner Sphere Mechanism","Organometallics","2011","30","5","1236","","10.1021/om101152m","","","0.71073","MoKα","","0.1118","0.0568","","","0.1403","0.18","","","","","","1.038","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064143","12.781","0.0015","16.89","0.002","13.5646","0.0016","90","","113.406","0.009","90","","2687.3","0.6","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Cl F6 N3 Os P -","- C21 H27 Cl F6 N3 Os P -","- C84 H108 Cl4 F24 N12 Os4 P4 -","4","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Mechanistic Investigation of the Hydrogenation of Ketones Catalyzed by a Ruthenium(II) Complex Featuring an N-Heterocyclic Carbene with a Tethered Primary Amine Donor: Evidence for an Inner Sphere Mechanism","Organometallics","2011","30","5","1236","","10.1021/om101152m","","","0.71073","MoKα","","0.0954","0.0598","","","0.1359","0.152","","","","","","0.933","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064144","16.9962","0.0006","9.0432","0.0003","17.191","0.0005","90","","90.741","0.003","90","","2642.04","0.15","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 Cl2 Hg N2 -","- C27 H36 Cl2 Hg N2 -","- C108 H144 Cl8 Hg4 N8 -","4","0.5","","Pelz, Simon; Mohr, Fabian","“Oxide Route” for the Preparation of Mercury(II) N-Heterocyclic Carbene Complexes","Organometallics","2011","30","3","383","","10.1021/om101154z","","","0.7107","MoKα","","0.0381","0.0219","","","0.0394","0.041","","","","","","0.87","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064145","7.9365","0.0004","15.8303","0.0007","8.5548","0.0004","90","","99.253","0.004","90","","1060.82","0.09","150","2","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl2 Hg N2 -","- C21 H24 Cl2 Hg N2 -","- C42 H48 Cl4 Hg2 N4 -","2","1","","Pelz, Simon; Mohr, Fabian","“Oxide Route” for the Preparation of Mercury(II) N-Heterocyclic Carbene Complexes","Organometallics","2011","30","3","383","","10.1021/om101154z","","","0.7107","MoKα","","0.0343","0.0288","","","0.062","0.0631","","","","","","0.98","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064146","6.9536","0.0007","8.8068","0.0009","10.866","0.0009","66.416","0.009","83.452","0.008","82.191","0.008","602.88","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl4 Hg2 I4 N4 -","- C10 H12 Cl4 Hg2 I4 N4 -","- C10 H12 Cl4 Hg2 I4 N4 -","1","0.5","","Pelz, Simon; Mohr, Fabian","“Oxide Route” for the Preparation of Mercury(II) N-Heterocyclic Carbene Complexes","Organometallics","2011","30","3","383","","10.1021/om101154z","","","0.7107","MoKα","","0.0431","0.034","","","0.0752","0.0766","","","","","","1.069","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064147","28.5187","0.0008","11.2036","0.0003","19.4833","0.0004","90","","101.351","0.001","90","","6103.4","0.3","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H35 F6 N3 O P Rh -","- C33 H35 F6 N3 O P Rh -","- C264 H280 F48 N24 O8 P8 Rh8 -","8","2","","Dzik, Wojciech I.; Fuente Arruga, Luis; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; de Bruin, Bas","Open-Shell Organometallic [MII(dbcot(bislutidylamine)]2+Complexes (M = Rh, Ir): Unexpected Base-Assisted Reduction of the Metal Instead of Amine Ligand Deprotonation","Organometallics","2011","30","7","1902","","10.1021/om101157r","","","0.71073","MoKα","","0.0368","0.0281","","","0.0569","0.06","","","","","","1.047","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064148","9.2911","0.0004","20.4418","0.0009","17.3595","0.0007","90","","98.599","0.002","90","","3260","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 F6 Ir N3 O P -","- C34 H39 F6 Ir N3 O P -","- C136 H156 F24 Ir4 N12 O4 P4 -","4","1","","Dzik, Wojciech I.; Fuente Arruga, Luis; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; de Bruin, Bas","Open-Shell Organometallic [MII(dbcot(bislutidylamine)]2+Complexes (M = Rh, Ir): Unexpected Base-Assisted Reduction of the Metal Instead of Amine Ligand Deprotonation","Organometallics","2011","30","7","1902","","10.1021/om101157r","","","0.71073","MoKα","","0.0549","0.0333","","","0.0539","0.0584","","","","","","1.093","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064149","21.5483","0.0009","16.7416","0.0007","20.9573","0.0008","90","","110.52","0.002","90","","7080.7","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H60 Cl2 F24 Ir2 N6 P4 -","- C61 H60 Cl2 F24 Ir2 N6 P4 -","- C244 H240 Cl8 F96 Ir8 N24 P16 -","4","1","","Dzik, Wojciech I.; Fuente Arruga, Luis; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; de Bruin, Bas","Open-Shell Organometallic [MII(dbcot(bislutidylamine)]2+Complexes (M = Rh, Ir): Unexpected Base-Assisted Reduction of the Metal Instead of Amine Ligand Deprotonation","Organometallics","2011","30","7","1902","","10.1021/om101157r","","","0.71073","MoKα","","0.0517","0.0292","","","0.0702","0.0759","","","","","","1.101","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064150","9.5523","0.0007","16.2517","0.0005","20.1842","0.0007","90","","97.861","0.002","90","","3104","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 F6 Ir N3 P -","- C30 H45 F6 Ir N3 P -","- C120 H180 F24 Ir4 N12 P4 -","4","1","","Dzik, Wojciech I.; Fuente Arruga, Luis; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; de Bruin, Bas","Open-Shell Organometallic [MII(dbcot(bislutidylamine)]2+Complexes (M = Rh, Ir): Unexpected Base-Assisted Reduction of the Metal Instead of Amine Ligand Deprotonation","Organometallics","2011","30","7","1902","","10.1021/om101157r","","","0.71073","MoKα","","0.0378","0.0234","","","0.0454","0.0495","","","","","","1.027","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064151","20.6389","0.0019","7.6989","0.0007","42.255","0.004","90","","93.509","0.005","90","","6701.6","1.1","103","2","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Fe Mn Mo N O7 P -","- C34 H31 Fe Mn Mo N O7 P -","- C272 H248 Fe8 Mn8 Mo8 N8 O56 P8 -","8","2","","Tian, Rongqiang; Escobar, Aholibama; Mathey, François","A New P,N-Chelating Ligand Combining Phosphaferrocene and Azacymantrene Units","Organometallics","2011","30","6","1738","","10.1021/om101160w","","","0.71073","MoKα","","0.0716","0.0455","","","0.0924","0.1049","","","","","","1.068","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064152","18.391","0.002","20.224","0.003","7.7205","0.001","90","","90","","90","","2871.6","0.6","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C31 H27 Cl3 Fe3 -","- C31 H28 Cl3 Fe3 -","- C124 H112 Cl12 Fe12 -","4","0.5","","Salmi, Mauro; Busetto, Luigi; Mazzoni, Rita; Zacchini, Stefano; Zanotti, Valerio","New and Selective Routes to Functionalized Biferrocenes and Terferrocenes by [3 + 2] Cycloadditions of Alkynes with Bridging C3Ligands in Diiron Complexes","Organometallics","2011","30","5","1175","","10.1021/om101162r","","","0.71073","MoKα","","0.0199","0.0186","","","0.0472","0.0481","","","","","","1.062","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064153","8.9841","0.0018","9.361","0.0019","12.898","0.003","96.62","0.03","102.75","0.03","112","0.03","957.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 N2 O5 W -","- C17 H22 N2 O5 W -","- C34 H44 N4 O10 W2 -","2","1","","Reichmann, Bernhard; Drexler, Matthias; Weibert, Bernhard; Szesni, Normen; Strittmatter, Tobias; Fischer, Helmut","Amino-Substituted Butatrienes: Unusual η1Ligands Formed by an Unusual Reaction†","Organometallics","2011","30","5","1215","","10.1021/om101163j","","","0.71073","MoKα","","0.0356","0.0305","","","0.0651","0.0666","","","","","","1.04","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064154","9.1653","0.0018","9.91","0.002","11.834","0.002","89.59","0.03","72.69","0.03","66.44","0.03","932.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cr N O6 -","- C17 H20 Cr N O6 -","- C34 H40 Cr2 N2 O12 -","2","1","","Reichmann, Bernhard; Drexler, Matthias; Weibert, Bernhard; Szesni, Normen; Strittmatter, Tobias; Fischer, Helmut","Amino-Substituted Butatrienes: Unusual η1Ligands Formed by an Unusual Reaction†","Organometallics","2011","30","5","1215","","10.1021/om101163j","","","0.71073","MoKα","","0.061","0.0456","","","0.1075","0.114","","","","","","1.036","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064155","12.5","0.003","16.028","0.003","14.1","0.003","90","","95.04","0.03","90","","2814","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N4 O5 W -","- C29 H28 N4 O5 W -","- C116 H112 N16 O20 W4 -","4","1","","Reichmann, Bernhard; Drexler, Matthias; Weibert, Bernhard; Szesni, Normen; Strittmatter, Tobias; Fischer, Helmut","Amino-Substituted Butatrienes: Unusual η1Ligands Formed by an Unusual Reaction†","Organometallics","2011","30","5","1215","","10.1021/om101163j","","","0.71073","MoKα","","0.0672","0.0415","","","0.0689","0.0741","","","","","","1.024","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064156","8.903","0.001","9.894","0.002","15.726","0.003","74.45","0.02","89.19","0.02","65.38","0.02","1205.7","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Bis[4-(diphenylphosphino)-1,5-diphenyl-1H-1,2,3-triazole)-3N]di-mu- iododicopper(I)","","- C52 H40 Cu2 I2 N6 P2 -","- C52 H40 Cu2 I2 N6 P2 -","- C52 H40 Cu2 I2 N6 P2 -","1","0.5","","Zink, Daniel M.; Grab, Tobias; Baumann, Thomas; Nieger, Martin; Barnes, Ericka C.; Klopper, Wim; Bräse, Stefan","Experimental and Theoretical Study of Novel Luminescent Di-, Tri-, and Tetranuclear Copper Triazole Complexes","Organometallics","2011","30","12","3275","","10.1021/om1011648","","","0.71073","MoKα","","0.036","0.0323","","","0.085","0.0882","","","","","","1.051","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064157","14.341","0.001","16.446","0.002","32.859","0.004","90","","93.29","0.01","90","","7737.1","1.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Tris[mu-[(4-(diphenylphosphino)-1-phenyl-5-propyl-1H-1,2,3-triazole)-N3,P]]]- [di-mu-iododiiodocuprate] (2:1)","","- C71 H70 Cl4 Cu4 I4 N9 P3 -","- C71 H70 Cl4 Cu4 I4 N9 P3 -","- C284 H280 Cl16 Cu16 I16 N36 P12 -","4","1","","Zink, Daniel M.; Grab, Tobias; Baumann, Thomas; Nieger, Martin; Barnes, Ericka C.; Klopper, Wim; Bräse, Stefan","Experimental and Theoretical Study of Novel Luminescent Di-, Tri-, and Tetranuclear Copper Triazole Complexes","Organometallics","2011","30","12","3275","","10.1021/om1011648","","","0.71073","MoKα","","0.1092","0.0936","","","0.2011","0.2069","","","","","","1.276","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064158","24.312","0.003","9.928","0.001","25.22","0.003","90","","108.98","0.01","90","","5756.4","1.2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[mu-[4-(diphenylphosphino)-1,5-diphenyl-1H-1,2,3-triazole)-3N,P]di-mu- iododi-mu4-iodotetracopper(I)","","- C56 H50 Cu4 I4 N6 O P2 -","- C56 H50 Cu4 I4 N6 O P2 -","- C224 H200 Cu16 I16 N24 O4 P8 -","4","0.5","","Zink, Daniel M.; Grab, Tobias; Baumann, Thomas; Nieger, Martin; Barnes, Ericka C.; Klopper, Wim; Bräse, Stefan","Experimental and Theoretical Study of Novel Luminescent Di-, Tri-, and Tetranuclear Copper Triazole Complexes","Organometallics","2011","30","12","3275","","10.1021/om1011648","","","0.71073","MoKα","","0.0693","0.0569","","","0.1419","0.1508","","","","","","1.079","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064159","8.0179","0.0002","21.6249","0.0004","18.1418","0.0005","90","","93.3563","0.001","90","","3140.14","0.13","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","In(N2Ts_py)(CH2SiMe3)","","- C28 H39 In N4 O4 S2 Si -","- C28 H39 In N4 O4 S2 Si -","- C112 H156 In4 N16 O16 S8 Si4 -","4","1","","Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip","Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2011","30","5","1202","","10.1021/om101166s","","","0.71073","MoKα","","0.0885","0.0474","","0.0705","0.0427","0.0389","","","","","","1.0849","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064160","16.6476","0.0003","13.5682","0.0002","13.248","0.0002","90","","97.4468","0.0006","90","","2967.19","0.08","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","In(N2TS_OMe)(CH2SiMe3)","","- C25 H40 In N3 O5 S2 Si -","- C25 H40 In N3 O5 S2 Si -","- C100 H160 In4 N12 O20 S8 Si4 -","4","1","","Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip","Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2011","30","5","1202","","10.1021/om101166s","","","0.71073","MoKα","","0.0529","0.0352","","0.0582","0.0391","0.0371","","","","","","1.0738","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064161","9.697","0.0005","10.1985","0.0006","19.088","0.0013","96.471","0.003","91.632","0.003","107.243","0.003","1787.56","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","(In(OiPr)(CH2SiMe3))2","","- C22 H58 In2 O2 Si4 -","- C22 H58 In2 O2 Si4 -","- C44 H116 In4 O4 Si8 -","2","1","","Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip","Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2011","30","5","1202","","10.1021/om101166s","","","0.71073","MoKα","","0.1077","0.065","","0.085","0.0596","0.0552","","","","","","1.1319","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064162","9.8616","0.0002","18.2855","0.0004","21.566","0.0004","90","","98.5083","0.0008","90","","3846.07","0.14","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[In(CH2SiMe3)2(OCH2CH2NMe2)]2","","- C24 H64 In2 N2 O2 Si4 -","- C24 H64 In2 N2 O2 Si4 -","- C96 H256 In8 N8 O8 Si16 -","4","0.5","","Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip","Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2011","30","5","1202","","10.1021/om101166s","","","0.71073","MoKα","","0.0747","0.047","","0.0356","0.028","0.0261","","","","","","1.0823","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064163","9.4274","0.0003","11.7383","0.0004","18.1705","0.0006","92.6901","0.0016","95.1901","0.0016","93.8651","0.0011","1995.13","0.11","150","","150","","","","","","","","","8","P -1","-P 1","2","","In(N2TsNPy)(N(SiMe3)2)","","- C31 H48 Cl2 In N5 O4 S2 Si2 -","- C31 H48 Cl2 In N5 O4 S2 Si2 -","- C62 H96 Cl4 In2 N10 O8 S4 Si4 -","2","1","","Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip","Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2011","30","5","1202","","10.1021/om101166s","","","0.71073","MoKα","","0.0728","0.055","","0.0777","0.0569","0.0546","","","","","","1.0823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064164","9.8821","0.0002","21.2373","0.0005","19.0422","0.0005","90","","100.056","0.0009","90","","3934.97","0.16","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","In(N2Ts_py)(Cl)(OiPr){Li(THF)}","","- C33 H47 Cl In Li N4 O6.5 S2 -","- C33 H47 Cl In Li N4 O6.5 S2 -","- C132 H188 Cl4 In4 Li4 N16 O26 S8 -","4","1","","Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip","Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2011","30","5","1202","","10.1021/om101166s","","","0.71073","MoKα","","0.133","0.065","","0.101","0.0603","0.0549","","","","","","1.1437","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064165","10.232","0.002","12.396","0.003","24.448","0.005","90","","101.69","0.03","90","","3036.6","1.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","In(N2Ts_py)Cl(py)","","- C29 H33 Cl In N5 O4 S2 -","- C29 H33 Cl In N5 O4 S2 -","- C116 H132 Cl4 In4 N20 O16 S8 -","4","1","","Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip","Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2011","30","5","1202","","10.1021/om101166s","","","0.71073","MoKα","","0.0766","0.0529","","0.0633","0.05","0.0473","","","","","","1.1078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064166","30.138","0.004","30.138","0.004","17.795","0.004","90","","90","","120","","13998","4","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","In(O2N_py)CH2SiMe3","","- C28 H37 In N2 O2 Si -","- C28 H37 In N2 O2 Si -","- C504 H666 In18 N36 O36 Si18 -","18","1","","Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip","Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2011","30","5","1202","","10.1021/om101166s","","","0.71073","MoKα","","0.0552","0.0382","","0.0344","0.0303","0.0293","","","","","","1.1067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064167","10.4877","0.0002","11.9775","0.0003","12.8157","0.0002","98.819","0.0009","111.063","0.001","104.138","0.0009","1404.13","0.05","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","Cp*Ti{MeC(NiPr)2}(NNPh2)","","- C30 H42 N4 Ti -","- C30 H42 N4 Ti -","- C60 H84 N8 Ti2 -","2","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0672","0.0418","","0.0681","0.0487","0.0487","","","","","","1.0976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064168","32.444","0.007","9.3679","0.0019","17.404","0.004","90","","105.34","0.03","90","","5101","2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cp*Ti{MeC(NiPr)2}(NNMePh)","","- C25 H40 N4 Ti -","- C25 H40 N4 Ti -","- C200 H320 N32 Ti8 -","8","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0849","0.0463","","0.0767","0.0528","0.0528","","","","","","1.0763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064169","9.3311","0.0002","14.7945","0.0004","16.4429","0.0004","90","","90","","90","","2269.93","0.1","150","","150","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Cp*Ti{MeC(NiPr)2}{NNMe2)","","- C20 H38 N4 Ti -","- C20 H35.5 N4 Ti -","- C80 H142 N16 Ti4 -","4","0.5","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0472","0.0383","","0.0492","0.0459","0.0459","","","","","","0.9446","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064170","14.2642","0.0003","13.3667","0.0002","17.03","0.0004","90","","109.109","0.0008","90","","3068.11","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cp*Ti(MeDIPA){OC(O)N(NPh2)C(O)O}","","- C32 H42 N4 O4 Ti -","- C32 H42 N4 O4 Ti -","- C128 H168 N16 O16 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0875","0.0564","","0.0748","0.0562","0.0531","","","","","","1.1004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064171","12.1789","0.0002","14.3304","0.0002","27.4288","0.0005","90","","90","","90","","4787.11","0.14","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cp*Ti(MeDIPA){OC(O)N(NMe2)C(O)O}","","- C22 H38 N4 O4 Ti -","- C22 H38 N4 O4 Ti -","- C176 H304 N32 O32 Ti8 -","8","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0812","0.0549","","0.072","0.0558","0.0531","","","","","","1.1222","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064172","8.997","0.0005","16.9143","0.0009","9.8429","0.0005","90","","112.58","0.002","90","","1383.05","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cp*Ti(MeDIPA){OC(O)N(NMePh)C(O)O}","","- C27 H40 N4 O4 Ti -","- C27 H40 N4 O4 Ti -","- C54 H80 N8 O8 Ti2 -","2","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.1142","0.0699","","0.0915","0.058","0.0529","","","","","","1.1081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064173","11.6533","0.0002","16.8171","0.0003","20.555","0.0004","90","","90","","90","","4028.26","0.13","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cp*Ti{MeC(NiPr)2}{N(NPh2)C(NAr)O}","","- C43 H59 N5 O Ti -","- C43 H59 N5 O Ti -","- C172 H236 N20 O4 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0574","0.0434","","0.0592","0.0432","0.0408","","","","","","1.0959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064174","12.1396","0.0001","15.7202","0.0002","21.328","0.0002","90","","90","","90","","4070.17","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cp*Ti(MeDIPA){N(NPh2)C(NAr)S}","","- C43 H59 N5 S Ti -","- C43 H59 N5 S Ti -","- C172 H236 N20 S4 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0607","0.0489","","0.063","0.0511","0.0494","","","","","","1.0993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064175","12.0805","0.0002","12.7622","0.0003","17.7166","0.0004","90","","92.8483","0.0009","90","","2728.06","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,4-N(Me2)NC(NAr)N(Ar)C(O)","","- C28 H40 N4 O -","- C28 H40 N4 O -","- C112 H160 N16 O4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0972","0.0553","","0.0855","0.0528","0.0484","","","","","","1.1165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064176","12.3786","0.0004","20.2596","0.0007","14.3585","0.0006","90","","102.663","0.0015","90","","3513.3","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cp*Ti(MeDIPA){OC(NNMe2)N(Tol)C(NTol)CO}","","- C36 H52 N6 O2 Ti -","- C36 H52 N6 O2 Ti -","- C144 H208 N24 O8 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.1053","0.0596","","0.0743","0.0522","0.0486","","","","","","1.1432","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064177","9.306","0.008","10.916","0.008","10.961","0.009","66.564","0.017","75.026","0.016","80.789","0.016","984.9","1.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Cl8 I4 N4 Pd2 -","- C20 H36 Cl8 I4 N4 Pd2 -","- C20 H36 Cl8 I4 N4 Pd2 -","1","0.5","","Han, Yuan; Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Reactivity Differences of Palladium(II) Dimers Bearing Heterocyclic Carbenes with Two, One, or No α-Nitrogen Atoms toward Isocyanides","Organometallics","2011","30","5","1224","","10.1021/om101169x","","","0.71073","MoKα","","0.061","0.0467","","","0.1265","0.1362","","","","","","1.038","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064178","8.1193","0.001","8.1769","0.0011","15.721","0.002","100.158","0.003","90.542","0.003","90.819","0.003","1027.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 I2 N3 Pd -","- C18 H19 I2 N3 Pd -","- C36 H38 I4 N6 Pd2 -","2","1","","Han, Yuan; Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Reactivity Differences of Palladium(II) Dimers Bearing Heterocyclic Carbenes with Two, One, or No α-Nitrogen Atoms toward Isocyanides","Organometallics","2011","30","5","1224","","10.1021/om101169x","","","0.71073","MoKα","","0.029","0.0266","","","0.0836","0.0859","","","","","","1.102","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064179","18.2082","0.0008","10.1839","0.0004","10.8874","0.0005","90","","90","","90","","2018.86","0.15","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H21 I2 N3 Pd -","- C16 H21 I2 N3 Pd -","- C64 H84 I8 N12 Pd4 -","4","0.5","","Han, Yuan; Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Reactivity Differences of Palladium(II) Dimers Bearing Heterocyclic Carbenes with Two, One, or No α-Nitrogen Atoms toward Isocyanides","Organometallics","2011","30","5","1224","","10.1021/om101169x","","","0.71073","MoKα","","0.031","0.0288","","","0.0674","0.0685","","","","","","1.153","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064180","17.913","0.0012","7.7294","0.0005","15.4981","0.001","90","","107.899","0.002","90","","2042","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 I2 N3 Pd -","- C18 H19 I2 N3 Pd -","- C72 H76 I8 N12 Pd4 -","4","1","","Han, Yuan; Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Reactivity Differences of Palladium(II) Dimers Bearing Heterocyclic Carbenes with Two, One, or No α-Nitrogen Atoms toward Isocyanides","Organometallics","2011","30","5","1224","","10.1021/om101169x","","","0.71073","MoKα","","0.056","0.0437","","","0.0986","0.1037","","","","","","1.058","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064181","8.7","0.0011","10.0247","0.0013","15.825","0.002","81.02","0.003","85.403","0.003","66.2","0.002","1247.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H62 I4 N10 Pd2 -","- C38 H62 I4 N10 Pd2 -","- C38 H62 I4 N10 Pd2 -","1","0.5","","Han, Yuan; Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Reactivity Differences of Palladium(II) Dimers Bearing Heterocyclic Carbenes with Two, One, or No α-Nitrogen Atoms toward Isocyanides","Organometallics","2011","30","5","1224","","10.1021/om101169x","","","0.71073","MoKα","","0.0368","0.032","","","0.0805","0.0829","","","","","","1.015","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064182","15.18","0.0004","13.6749","0.0003","15.4354","0.0004","90","","103.298","0.001","90","","3118.24","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N Pt S2 -","- C16 H17 N Pt S2 -","- C128 H136 N8 Pt8 S16 -","8","1","","Tan, Runyu; Song, Datong","C−H and C−S Activations of Quinoline-Functionalized Thiophenes by Platinum Complexes","Organometallics","2011","30","6","1637","","10.1021/om101171s","","","0.71073","MoKα","","0.0228","0.0198","","","0.0453","0.0465","","","","","","1.042","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064183","8.387","0.0006","12.8874","0.001","20.3742","0.0015","83.57","0.003","84.892","0.003","75.328","0.003","2112.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H17.5 N2 Pt S2 -","- C27.5 H17.5 N2 Pt S2 -","- C110 H70 N8 Pt4 S8 -","4","2","","Tan, Runyu; Song, Datong","C−H and C−S Activations of Quinoline-Functionalized Thiophenes by Platinum Complexes","Organometallics","2011","30","6","1637","","10.1021/om101171s","","","0.71073","MoKα","","0.0985","0.0435","","","0.0553","0.0655","","","","","","0.96","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064184","8.2609","0.0004","18.9443","0.001","13.1963","0.0006","90","","106.919","0.002","90","","1975.79","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 Pt S2 -","- C26 H16 N2 Pt S2 -","- C104 H64 N8 Pt4 S8 -","4","1","","Tan, Runyu; Song, Datong","C−H and C−S Activations of Quinoline-Functionalized Thiophenes by Platinum Complexes","Organometallics","2011","30","6","1637","","10.1021/om101171s","","","0.71073","MoKα","","0.0658","0.0355","","","0.0637","0.0721","","","","","","0.964","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064185","17.3049","0.0006","9.9102","0.0003","16.1325","0.0008","90","","100.411","0.002","90","","2721.1","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 N P2 Pt S -","- C27 H41 N P2 Pt S -","- C108 H164 N4 P8 Pt4 S4 -","4","1","","Tan, Runyu; Song, Datong","C−H and C−S Activations of Quinoline-Functionalized Thiophenes by Platinum Complexes","Organometallics","2011","30","6","1637","","10.1021/om101171s","","","0.71073","MoKα","","0.0418","0.0277","","","0.0583","0.0631","","","","","","1.03","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064186","9.7376","0.0003","26.8064","0.001","24.8079","0.0009","90","","93.471","0.001","90","","6463.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 N P2 Pt S -","- C33 H47 N P2 Pt S -","- C264 H376 N8 P16 Pt8 S8 -","8","2","","Tan, Runyu; Song, Datong","C−H and C−S Activations of Quinoline-Functionalized Thiophenes by Platinum Complexes","Organometallics","2011","30","6","1637","","10.1021/om101171s","","","0.71073","MoKα","","0.0308","0.0229","","","0.0486","0.0511","","","","","","1.001","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064187","41.697","0.0005","41.697","0.0005","11.043","0.0005","90","","90","","120","","16627.5","0.8","173","1","173","1","","","","","","","","5","R -3 :H","-R 3","148","Compound X","","","- C40.5 H34 Cl2 N2 Pt2 -","- C40 H33 Cl N2 Pt2 -","- C720 H594 Cl18 N36 Pt36 -","18","1","","Berenguer, Jesús R.; Díez, Álvaro; García, Ana; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio; Torroba, Javier","Remarkable Influence of the Cyclometalating Ligand on the Nuclearity and Properties of Heterobridged (μ-X)(μ-C≡CR) Platinum(II) Complexes","Organometallics","2011","30","6","1646","","10.1021/om101172p","","","0.71073","MoKα","","0.0544","0.0315","","","0.0601","0.0634","","","","","","1.065","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064188","48.7851","0.001","17.6611","0.0003","36.0601","0.0007","90","","126.509","0.001","90","","24972.4","0.9","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ad358-1","","","- C68.6 H60.6 Cl6.8 N4 O1.5 Pt4 -","- C64 H50 Cl2 N4 Pt4 -","- C1024 H800 Cl32 N64 Pt64 -","16","2","","Berenguer, Jesús R.; Díez, Álvaro; García, Ana; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio; Torroba, Javier","Remarkable Influence of the Cyclometalating Ligand on the Nuclearity and Properties of Heterobridged (μ-X)(μ-C≡CR) Platinum(II) Complexes","Organometallics","2011","30","6","1646","","10.1021/om101172p","","","0.7107","MoKα","","0.069","0.0441","","","0.1022","0.1098","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064189","17.584","0.0002","17.938","0.0002","20.878","0.0003","90","","108.513","0.001","90","","6244.59","0.14","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ad215","","","- C77 H60 Cl2 N4 O3 Pt4 -","- C77 H60 Cl2 N4 O3 Pt4 -","- C308 H240 Cl8 N16 O12 Pt16 -","4","1","","Berenguer, Jesús R.; Díez, Álvaro; García, Ana; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio; Torroba, Javier","Remarkable Influence of the Cyclometalating Ligand on the Nuclearity and Properties of Heterobridged (μ-X)(μ-C≡CR) Platinum(II) Complexes","Organometallics","2011","30","6","1646","","10.1021/om101172p","","","0.71073","MoKα","","0.0957","0.0414","","","0.066","0.0772","","","","","","0.963","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064190","12.222","0.0016","15.4235","0.0019","17.219","0.002","90","","98.9","0.002","90","","3206.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 N2 Os P2 -","- C30 H60 N2 Os P2 -","- C120 H240 N8 Os4 P8 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; García-Raboso, Jorge; Oliván, Montserrat; Oñate, Enrique; Pastor, Isidro M.; Peñafiel, Itziar; Yus, Miguel","Osmium NHC Complexes from Alcohol-Functionalized Imidazoles and Imidazolium Salts","Organometallics","2011","30","6","1658","","10.1021/om101173e","","","0.71073","MoKα","","0.0785","0.0384","","","0.049","0.0556","","","","","","0.74","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064191","35.231","0.009","35.231","0.009","11.818","0.004","90","","90","","90","","14669","7","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C30.25 H57 N2 O Os P2 -","- C30.25 H54 N2 O Os P2 -","- C484 H864 N32 O16 Os16 P32 -","16","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; García-Raboso, Jorge; Oliván, Montserrat; Oñate, Enrique; Pastor, Isidro M.; Peñafiel, Itziar; Yus, Miguel","Osmium NHC Complexes from Alcohol-Functionalized Imidazoles and Imidazolium Salts","Organometallics","2011","30","6","1658","","10.1021/om101173e","","","0.71073","MoKα","","0.1108","0.0398","","","0.0707","0.081","","","","","","0.803","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064192","11.352","0.003","13.48","0.004","15.209","0.004","75.175","0.005","80.377","0.005","74.714","0.004","2157.8","1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C37.5 H64.5 B Cl F4 N2 O1.25 Os P2 -","- C37.5 H61 B Cl F4 N2 O1.25 Os P2 -","- C75 H122 B2 Cl2 F8 N4 O2.5 Os2 P4 -","2","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; García-Raboso, Jorge; Oliván, Montserrat; Oñate, Enrique; Pastor, Isidro M.; Peñafiel, Itziar; Yus, Miguel","Osmium NHC Complexes from Alcohol-Functionalized Imidazoles and Imidazolium Salts","Organometallics","2011","30","6","1658","","10.1021/om101173e","","","0.71073","MoKα","","0.0447","0.031","","","0.0575","0.0595","","","","","","0.845","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064193","9.1087","0.0002","16.9206","0.0004","17.9178","0.0004","90","","99.283","0.001","90","","2725.41","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 Cl Ir P -","- C32 H43 Cl Ir P -","- C128 H172 Cl4 Ir4 P4 -","4","1","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.0347","0.03","","","0.0786","0.0811","","","","","","1.037","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064194","9.7647","0.0002","9.8404","0.0002","16.6899","0.0003","97.466","0.001","99.549","0.001","99.555","0.001","1538.96","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H49 Cl Ir O P -","- C35 H49 Cl Ir O P -","- C70 H98 Cl2 Ir2 O2 P2 -","2","1","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.0232","0.0221","","","0.0555","0.0559","","","","","","1.031","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064195","16.0447","0.001","11.3273","0.0008","17.9788","0.0011","90","","94.018","0.003","90","","3259.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 Cl Ir O3 P -","- C36 H51 Cl Ir O3 P -","- C144 H204 Cl4 Ir4 O12 P4 -","4","1","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.0463","0.0336","","","0.0826","0.0897","","","","","","1.035","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064196","18.787","0.002","9.3296","0.0011","22.156","0.003","90","","108.885","0.004","90","","3674.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H61 Cl Ir P -","- C41 H61 Cl Ir P -","- C164 H244 Cl4 Ir4 P4 -","4","1","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.087","0.0707","","","0.1608","0.1681","","","","","","1.115","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064197","9.155","0.004","10.415","0.003","13.757","0.005","75.18","0.02","89.99","0.02","73.371","0.016","1211.3","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 Cl Ir O2 P -","- C26 H31 Cl Ir O2 P -","- C52 H62 Cl2 Ir2 O4 P2 -","2","1","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.0341","0.0328","","","0.0859","0.0868","","","","","","1.226","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064198","9.031","0.003","10.767","0.003","13.915","0.004","75.225","0.014","88.737","0.015","71.842","0.014","1240.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl Ir O2 P -","- C27 H33 Cl Ir O2 P -","- C54 H66 Cl2 Ir2 O4 P2 -","2","1","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.0531","0.0338","","","0.0759","0.0829","","","","","","1.024","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064199","8.631","0.003","20.819","0.006","15.561","0.004","90","","91.35","0.008","90","","2795.4","1.5","93","2","93","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H35 Cl Ir O4 P -","- C28 H35 Cl Ir O4 P -","- C112 H140 Cl4 Ir4 O16 P4 -","4","2","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.0657","0.0531","","","0.092","0.0981","","","","","","0.986","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064200","10.8222","0.0009","28.978","0.002","10.5824","0.0009","90","","92.147","0.002","90","","3316.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Cl Ir O2 P -","- C35 H49 Cl Ir O2 P -","- C140 H196 Cl4 Ir4 O8 P4 -","4","1","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.0576","0.0436","","","0.0918","0.0964","","","","","","1.045","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064201","11.05","0.003","14.534","0.004","13.029","0.003","90","","92.005","0.007","90","","2091.2","0.9","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl Ir O2 P -","- C20 H27 Cl Ir O2 P -","- C80 H108 Cl4 Ir4 O8 P4 -","4","1","","Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.","Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines","Organometallics","2011","30","6","1668","","10.1021/om101174x","","","0.71073","MoKα","","0.0476","0.0423","","","0.1086","0.1335","","","","","","1.137","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064202","16.773","0.0005","17.4538","0.0005","25.4024","0.001","90","","90","","90","","7436.6","0.4","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C36 H54 In P3 Pd -","- C36 H54 In P3 Pd -","- C288 H432 In8 P24 Pd8 -","8","1","","Derrah, Eric J.; Sircoglou, Marie; Mercy, Maxime; Ladeira, Sonia; Bouhadir, Ghenwa; Miqueu, Karinne; Maron, Laurent; Bourissou, Didier","Original Transition Metal→Indium Interactions upon Coordination of a Triphosphine−Indane","Organometallics","2011","30","4","657","","10.1021/om1011769","","x-ray","0.71073","MoKα","","0.091","0.0438","","","0.1067","0.139","","","","","","0.895","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064203","10.058","0.0004","18.9137","0.0008","20.4516","0.0008","90","","104.235","0.003","90","","3771.1","0.3","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Au Cl In P3 -","- C36 H54 Au Cl In P3 -","- C144 H216 Au4 Cl4 In4 P12 -","4","1","","Derrah, Eric J.; Sircoglou, Marie; Mercy, Maxime; Ladeira, Sonia; Bouhadir, Ghenwa; Miqueu, Karinne; Maron, Laurent; Bourissou, Didier","Original Transition Metal→Indium Interactions upon Coordination of a Triphosphine−Indane","Organometallics","2011","30","4","657","","10.1021/om1011769","","x-ray","0.71073","MoKα","","0.1286","0.051","","","0.0795","0.1013","","","","","","0.993","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064204","10.311","0.003","14.674","0.004","15.416","0.004","80.23","0.02","72.94","0.02","71.75","0.03","2109.9","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 Cl2 O4 Ti2 -","- C18 H28 Cl2 O4 Ti2 -","- C72 H112 Cl8 O16 Ti8 -","4","2","","Sobota, Piotr; Dra̧g-Jarza̧bek, Anna; Utko, Józef; Jerzykiewicz, Lucjan B.","Promoting Effect of Calcium Alkoxide on the Protonation of Cp Groups of Cp2TiCl2","Organometallics","2011","30","6","1741","","10.1021/om1011787","","","0.71073","MoKα","","0.0607","0.0373","","","0.0841","0.0906","","","","","","0.946","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064205","12.6517","0.0003","9.5094","0.0002","23.2404","0.0004","90","","97.549","0.001","90","","2771.82","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Chlorido(η^6^-p-cymene)(nalidixicato-κ^2^O,O)ruthenium(II)] toluene solvate","[Chlorido(η^6^-p-ispropyltoluene)(1-ethyl-7-methyl-4-oxo-[1,8]naphthyridine-3-carboxylato-κ^2^O,O)ruthenium(II)] toluene solvate","","- C29 H33 Cl N2 O3 Ru -","- C29 H33 Cl N2 O3 Ru -","- C116 H132 Cl4 N8 O12 Ru4 -","4","1","","Kljun, Jakob; Bytzek, Anna K.; Kandioller, Wolfgang; Bartel, Caroline; Jakupec, Michael A.; Hartinger, Christian G.; Keppler, Bernhard K.; Turel, Iztok","Physicochemical Studies and Anticancer Potency of Ruthenium η-p-Cymene Complexes Containing Antibacterial Quinolones.","Organometallics","2011","30","9","2506","2512","10.1021/om101180c","","","0.71073","MoKα","","0.0817","0.0412","","","0.0832","0.0973","","","","","","1.049","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064206","9.1782","0.0002","9.2246","0.0002","16.1067","0.0004","73.878","0.001","79.547","0.001","76.659","0.001","1264.61","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Chlorido(η^2^-p-cymene)(cinoxacinato-κ^2^O,O)ruthenium(II)] hydrate","[Chlorido(η^6^-p-ispropyltoluene)(1-ethyl-4-oxo-1,4-dihydro- [1,3]dioxolo[4,5-g]cinnoline-3-carboxylato-κ^2^O,O)ruthenium(II)] hydrate","","- C22 H25 Cl N2 O6 Ru -","- C22 H25 Cl N2 O6 Ru -","- C44 H50 Cl2 N4 O12 Ru2 -","2","1","","Kljun, Jakob; Bytzek, Anna K.; Kandioller, Wolfgang; Bartel, Caroline; Jakupec, Michael A.; Hartinger, Christian G.; Keppler, Bernhard K.; Turel, Iztok","Physicochemical Studies and Anticancer Potency of Ruthenium η-p-Cymene Complexes Containing Antibacterial Quinolones.","Organometallics","2011","30","9","2506","2512","10.1021/om101180c","","","0.71073","MoKα","","0.0444","0.0366","","","0.1108","0.1145","","","","","","1.141","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064207","9.9779","0.0003","9.9779","0.0003","28.4996","0.0006","90","","90","","90","","2837.38","0.13","100","2","100","2","","","","","","","synthesis as described","5","P 41 21 2","P 4abw 2nw","92","","","","- C31 H37 Mo2 O2 P -","- C31 H37 Mo2 O2 P -","- C124 H148 Mo8 O8 P4 -","4","0.5","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Martínez, M. Eugenia; Ruiz, Miguel A.","Binuclear Carbyne and Ketenyl Derivatives of the Alkyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph)","Organometallics","2011","30","8","2189","","10.1021/om1011819","","x-ray","0.71073","MoKα","","0.0558","0.048","","","0.1177","0.1302","","","","","","1.145","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064208","23.7133","0.001","10.2228","0.0003","31.4145","0.0004","90","","113.877","0.003","90","","6963.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Mo3 O9 P2 -","- C32 H42 Mo3 O9 P2 -","- C256 H336 Mo24 O72 P16 -","8","2","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Martínez, M. Eugenia; Ruiz, Miguel A.","Binuclear Carbyne and Ketenyl Derivatives of the Alkyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph)","Organometallics","2011","30","8","2189","","10.1021/om1011819","","x-ray","1.54184","CuKα","","0.1767","0.1342","","","0.3307","0.3499","","","","","","1.097","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064209","8.0917","0.0001","12.0945","0.0002","23.2847","0.0002","90","","100.078","0.002","90","","2243.6","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Mo2 O P -","- C24 H33 Mo2 O P -","- C96 H132 Mo8 O4 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Martínez, M. Eugenia; Ruiz, Miguel A.","Binuclear Carbyne and Ketenyl Derivatives of the Alkyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph)","Organometallics","2011","30","8","2189","","10.1021/om1011819","","x-ray","1.54184","CuKα","","0.0463","0.0432","","","0.1276","0.148","","","","","","1.171","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064210","13.7915","0.0014","17.3519","0.0015","37.169","0.004","90","","95.731","0.003","90","","8850.4","1.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H66 N4 Ni O2 -","- C47 H66 N4 Ni O2 -","- C376 H528 N32 Ni8 O16 -","8","2","","Kong, Yong; Cheng, Man; Ren, Hongping; Xu, Shansheng; Song, Haibin; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Nickel Complexes","Organometallics","2011","30","6","1677","","10.1021/om1011825","","","1.54187","CuKα","","0.0556","0.0505","","","0.1284","0.1363","","","","","","1.048","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064211","12.3845","0.0013","17.0235","0.0018","21.782","0.002","90","","90","","90","","4592.2","0.8","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 Cl4 N4 Ni O2 -","- C44 H66 Cl4 N4 Ni O2 -","- C176 H264 Cl16 N16 Ni4 O8 -","4","1","","Kong, Yong; Cheng, Man; Ren, Hongping; Xu, Shansheng; Song, Haibin; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Nickel Complexes","Organometallics","2011","30","6","1677","","10.1021/om1011825","","","0.7107","MoKα","","0.046","0.0349","","","0.0581","0.0623","","","","","","0.93","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064212","19.108","0.004","17.873","0.004","12.576","0.003","90","","108.4","0.03","90","","4075.3","1.7","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 N4 Ni O2 -","- C46 H54 N4 Ni O2 -","- C184 H216 N16 Ni4 O8 -","4","0.5","","Kong, Yong; Cheng, Man; Ren, Hongping; Xu, Shansheng; Song, Haibin; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Nickel Complexes","Organometallics","2011","30","6","1677","","10.1021/om1011825","","","0.71073","MoKα","","0.0628","0.0512","","","0.1236","0.1308","","","","","","1.072","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064213","16.445","0.005","21.327","0.007","16.116","0.005","90","","95","4","90","","5631","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 Cl6 N4 Ni O2 -","- C55 H72 Cl6 N4 Ni O2 -","- C220 H288 Cl24 N16 Ni4 O8 -","4","1","","Kong, Yong; Cheng, Man; Ren, Hongping; Xu, Shansheng; Song, Haibin; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Nickel Complexes","Organometallics","2011","30","6","1677","","10.1021/om1011825","","","0.7107","MoKα","","0.1195","0.1051","","","0.2535","0.2637","","","","","","1.099","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064214","10.0128","0.0008","11.0162","0.0009","18.3313","0.0014","77.644","0.001","87.243","0.002","81.271","0.001","1952","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Cl O8 Os P Sn -","- C32 H44 Cl O8 Os P Sn -","- C64 H88 Cl2 O16 Os2 P2 Sn2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús","Preparation of Half-Sandwich Stannyl Complexes of Osmium(II)","Organometallics","2011","30","7","1914","","10.1021/om101184a","","","0.71073","MoKα","","0.0553","0.0468","","","0.1458","0.1549","","","","","","1.08","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4064215","11.795","0.006","11.795","0.006","19.372","0.013","90","","90","","90","","2695","3","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C25 H40 Br Mn N4 O3 -","- C25 H40 Br Mn N4 O3 -","- C100 H160 Br4 Mn4 N16 O12 -","4","0.5","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.6889","MoKα","","0.0536","0.0507","","","0.1086","0.1102","","","","","","1.161","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064216","12.033","0.0003","12.033","0.0003","19.588","0.0005","90","","90","","90","","2836.21","0.12","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C25 H40 Cl N4 O3 Re -","- C25 H40 Cl N4 O3 Re -","- C100 H160 Cl4 N16 O12 Re4 -","4","0.5","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.0366","0.0299","","","0.0697","0.0724","","","","","","1.113","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064217","17.4842","0.0003","19.9557","0.0005","35.8042","0.0009","90","","96.001","0.002","90","","12424","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 B F24 Mn N4 O4 -","- C58 H52 B F24 Mn N4 O4 -","- C464 H416 B8 F192 Mn8 N32 O32 -","8","1","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.1173","0.0649","","","0.132","0.1578","","","","","","1.015","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064218","17.507","0.0002","20.006","0.0002","35.908","0.0004","90","","95.892","0.001","90","","12510.2","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 B F24 N4 O4 Re -","- C58 H52 B F24 N4 O4 Re -","- C464 H416 B8 F192 N32 O32 Re8 -","8","1","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.0573","0.0386","","","0.0762","0.0834","","","","","","1.057","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064219","8.808","0.0002","19.733","0.0004","9.324","0.0002","90","","106.589","0.001","90","","1553.14","0.06","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H36 Br Mn N2 O4 -","- C31 H36 Br Mn N2 O4 -","- C62 H72 Br2 Mn2 N4 O8 -","2","0.5","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.056","0.0403","","","0.0938","0.1001","","","","","","1.117","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064220","11.043","0.0002","14.047","0.0002","19.87","0.0003","90","","90","","90","","3082.25","0.08","150","2","150","2","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C31 H36 Cl N2 O4 Re -","- C31 H36 Cl N2 O4 Re -","- C124 H144 Cl4 N8 O16 Re4 -","4","0.5","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.0315","0.021","","","0.0438","0.0474","","","","","","1.119","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064221","12.271","0.0001","16.084","0.0001","17.814","0.0002","90.56","","100.358","0.001","90.16","","3458.39","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H50 B Cl2 F24 N2 O4 Re -","- C64 H50 B Cl2 F24 N2 O4 Re -","- C128 H100 B2 Cl4 F48 N4 O8 Re2 -","2","1","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.0604","0.0553","","","0.1373","0.1412","","","","","","1.071","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064222","13.551","0.0002","15.538","0.0002","17.02","0.0002","101.05","0.001","104.266","0.001","99.296","0.001","3325.64","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C64.25 H48.5 B Cl0.5 F24 Mn N2 O5 -","- C64 H48 B F24 Mn N2 O5 -","- C128 H96 B2 F48 Mn2 N4 O10 -","2","1","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.076","0.0593","","","0.1507","0.1602","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064223","13.66","0.0002","15.504","0.0002","17.029","0.0002","101.088","0.001","104.546","0.001","99.339","0.001","3340.47","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C64.5 H49 B Cl F24 N2 O5 Re -","- C64 H48 B F24 N2 O5 Re -","- C128 H96 B2 F48 N4 O10 Re2 -","2","1","","Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.","Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors","Organometallics","2011","30","8","2200","","10.1021/om1011853","","","0.71073","MoKα","","0.08","0.0515","","","0.1151","0.1242","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064224","10.74","0.0017","12.601","0.002","13.359","0.002","71.43","0.002","68.02","0.002","75.711","0.002","1572.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H74 Al3 Cl13 N6 O12 -","- C38 H74 Al3 Cl13 N6 O12 -","- C38 H74 Al3 Cl13 N6 O12 -","1","0.5","","Marchetti, Fabio; Pampaloni, Guido; Patil, Yogesh; Galletti, Anna Maria Raspolli; Renili, Filippo; Zacchini, Stefano","Ethylene Polymerization by Niobium(V)N,N-Dialkylcarbamates Activated with Aluminum Co-catalysts","Organometallics","2011","30","6","1682","","10.1021/om101187k","","","0.71073","MoKα","","0.1194","0.0581","","","0.1238","0.1477","","","","","","1.01","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064225","10.13","0.002","10.7788","0.0017","11.2932","0.0006","90","","112.488","0.006","90","","1139.3","0.3","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H11 Co3 Fe O9 -","- C21 H11 Co3 Fe O9 -","- C42 H22 Co6 Fe2 O18 -","2","0.5","","Nievas, Ángel; González, Jorge J.; Hernández, Elisa; Delgado, Esther; Martín, Avelino; Casado, Carmen M.; Alonso, Beatriz","Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers","Organometallics","2011","30","7","1920","","10.1021/om1011903","","x-ray","0.71073","MoKα","","0.0403","0.0231","","","0.0499","0.0536","","","","","","0.986","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064226","14.6445","0.0017","7.4441","0.0003","24.675","0.008","90","","90","","90","","2689.9","0.9","200","2","200","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 Fe2 O Si -","- C31 H34 Fe2 O Si -","- C124 H136 Fe8 O4 Si4 -","4","1","","Nievas, Ángel; González, Jorge J.; Hernández, Elisa; Delgado, Esther; Martín, Avelino; Casado, Carmen M.; Alonso, Beatriz","Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers","Organometallics","2011","30","7","1920","","10.1021/om1011903","","x-ray","0.71073","MoKα","","0.1523","0.0748","","","0.1202","0.1444","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064227","13.9107","0.0016","9.2872","0.0014","15.615","0.003","90","","109.052","0.012","90","","1906.8","0.5","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H10 Co2 Fe O6 -","- C20 H10 Co2 Fe O6 -","- C80 H40 Co8 Fe4 O24 -","4","1","","Nievas, Ángel; González, Jorge J.; Hernández, Elisa; Delgado, Esther; Martín, Avelino; Casado, Carmen M.; Alonso, Beatriz","Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers","Organometallics","2011","30","7","1920","","10.1021/om1011903","","x-ray","0.71073","MoKα","","0.0821","0.0389","","","0.0824","0.1009","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064228","15.988","0.002","9.212","0.003","46.33","0.015","90","","93.41","0.04","90","","6811","3","200","2","200","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C29 H18 Co4 Fe O12 Si -","- C29 H18 Co4 Fe O12 Si -","- C232 H144 Co32 Fe8 O96 Si8 -","8","2","","Nievas, Ángel; González, Jorge J.; Hernández, Elisa; Delgado, Esther; Martín, Avelino; Casado, Carmen M.; Alonso, Beatriz","Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers","Organometallics","2011","30","7","1920","","10.1021/om1011903","","x-ray","0.71073","MoKα","","0.1424","0.0739","","","0.1642","0.2128","","","","","","1.016","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064229","26.152","0.015","26.152","","12.237","0.007","90","","90","","90","","8369","7","133","2","133","2","","","","","","","","6","P 43","P 4cw","78","","","","- C47 H30 Au Cl F12 N2 -","- C47 H30 Au Cl F12 N2 -","- C376 H240 Au8 Cl8 F96 N16 -","8","2","","Wilckens, Kristina; Lentz, Dieter; Czekelius, Constantin","Synthesis of Gold Complexes Bearing Sterically Highly Encumbered, Chiral Carbene Ligands","Organometallics","2011","30","6","1287","","10.1021/om101192k","","","0.71073","MoKα","","0.0852","0.0705","","","0.1639","0.1692","","","","","","1.216","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064230","12.1248","0.0007","19.2482","0.0012","13.3429","0.0006","90","","119.477","0.004","90","","2710.9","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H86 Ge2 N4 O -","- C58 H86 Ge2 N4 O -","- C116 H172 Ge4 N8 O2 -","2","0.5","","Zhang, Shu-Hua; So, Cheuk-Wai","Synthesis and Characterization of an Amidinate-Stabilized Bisgermylene Oxide and Sulfide","Organometallics","2011","30","7","2059","","10.1021/om101194f","","","0.71073","MoKα","","0.1193","0.0589","","","0.1446","0.1844","","","","","","1.061","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064231","13.4937","0.0015","13.5639","0.001","19.802","0.002","98.213","0.005","100.902","0.005","109.631","0.003","3267.5","0.6","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H102 Ge2 N4 O2 S -","- C66 H102 Ge2 N4 O2 S -","- C132 H204 Ge4 N8 O4 S2 -","2","1","","Zhang, Shu-Hua; So, Cheuk-Wai","Synthesis and Characterization of an Amidinate-Stabilized Bisgermylene Oxide and Sulfide","Organometallics","2011","30","7","2059","","10.1021/om101194f","","","0.71073","MoKα","","0.1469","0.0885","","","0.2153","0.2387","","","","","","1.076","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064232","15.481","0.005","11.628","0.004","17.533","0.005","90","","107.312","0.005","90","","3013.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H54 Cl2 Os P2 -","- C25 H54 Cl2 Os P2 -","- C100 H216 Cl8 Os4 P8 -","4","1","","Collado, Alba; Esteruelas, Miguel A.; Oñate, Enrique","Hydride Alkenylcarbyne Osmium Complexes versus Cyclopentadienyl Type Half-Sandwich Ruthenium Derivatives","Organometallics","2011","30","7","1930","","10.1021/om1011962","","","0.71073","MoKα","","0.1205","0.068","","","0.1234","0.1397","","","","","","1.068","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064233","14.8549","0.0008","11.9049","0.0006","17.4551","0.0009","90","","101.612","0.001","90","","3023.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H54 Cl2 Os P2 -","- C25 H54 Cl2 Os P2 -","- C100 H216 Cl8 Os4 P8 -","4","1","","Collado, Alba; Esteruelas, Miguel A.; Oñate, Enrique","Hydride Alkenylcarbyne Osmium Complexes versus Cyclopentadienyl Type Half-Sandwich Ruthenium Derivatives","Organometallics","2011","30","7","1930","","10.1021/om1011962","","","0.71073","MoKα","","0.0298","0.0227","","","0.0492","0.0558","","","","","","1.012","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064234","20.954","0.0017","7.2718","0.0006","16.6303","0.0013","90","","106.78","0.001","90","","2426.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cl P Ru -","- C23 H42 Cl P Ru -","- C92 H168 Cl4 P4 Ru4 -","4","1","","Collado, Alba; Esteruelas, Miguel A.; Oñate, Enrique","Hydride Alkenylcarbyne Osmium Complexes versus Cyclopentadienyl Type Half-Sandwich Ruthenium Derivatives","Organometallics","2011","30","7","1930","","10.1021/om1011962","","","0.71073","MoKα","","0.0502","0.035","","","0.074","0.0824","","","","","","1.06","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064235","8.4833","0.0015","9.5113","0.0017","19.066","0.004","82.446","0.003","87.096","0.004","76.442","0.004","1482.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H54 Cl2 P2 Ru -","- C25 H54 Cl2 P2 Ru -","- C50 H108 Cl4 P4 Ru2 -","2","1","","Collado, Alba; Esteruelas, Miguel A.; Oñate, Enrique","Hydride Alkenylcarbyne Osmium Complexes versus Cyclopentadienyl Type Half-Sandwich Ruthenium Derivatives","Organometallics","2011","30","7","1930","","10.1021/om1011962","","","0.71073","MoKα","","0.0789","0.0498","","","0.0914","0.1008","","","","","","0.995","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064236","8.9102","0.0003","13.8797","0.0005","11.8108","0.0004","90","","98.322","0.001","90","","1445.27","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl2 N6 Pd -","- C30 H26 Cl2 N6 Pd -","- C60 H52 Cl4 N12 Pd2 -","2","0.5","","Saravanakumar, Rajendran; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Synthesis and Structure of 1,4-Diphenyl-3-methyl-1,2,3-triazol-5-ylidene Palladium Complexes and Application in Catalytic Hydroarylation of Alkynes","Organometallics","2011","30","6","1689","","10.1021/om1011984","","","0.71073","MoKα","","0.047","0.0316","","","0.0787","0.0861","","","","","","1.068","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064237","7.2681","0.0006","20.901","0.002","23.876","0.003","90","","94.253","0.004","90","","3617","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Cl2 N6 O4 Pd2 -","- C35 H32 Cl2 N6 O4 Pd2 -","- C140 H128 Cl8 N24 O16 Pd8 -","4","1","","Saravanakumar, Rajendran; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Synthesis and Structure of 1,4-Diphenyl-3-methyl-1,2,3-triazol-5-ylidene Palladium Complexes and Application in Catalytic Hydroarylation of Alkynes","Organometallics","2011","30","6","1689","","10.1021/om1011984","","","0.71073","MoKα","","0.1052","0.0494","","","0.1052","0.1274","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064238","14.1963","0.0019","16.434","0.002","27.847","0.004","90","","94.117","0.003","90","","6480","1.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C62 H66.5 B9 Cl4 N2 O4.25 P2 Rh -","- C62 H66.5 B9 Cl4 N2 O4.25 P2 Rh -","- C248 H266 B36 Cl16 N8 O17 P8 Rh4 -","4","2","","Alekseev, Leonid S.; Lyubimov, Sergey E.; Dolgushin, Fedor M.; Novikov, Valentin V.; Davankov, Vadim A.; Chizhevsky, Igor T.","New Rhodacarborane−Phosphoramidite Catalyst System for Enantioselective Hydrogenation of Functionalized Olefins and Molecular Structure of the Chiral Catalyst Precursor [3,3-{(S)-PipPhos}2-3-H-1,2-(o-xylylene)-closo-3,1,2-RhC2B9H9]","Organometallics","2011","30","7","1942","","10.1021/om101201e","","","0.71073","MoKα","","0.0708","0.0553","","","0.1199","0.128","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064239","10.5186","0.0009","10.5728","0.0009","13.7075","0.0011","91.798","0.002","95.221","0.001","105.42","0.001","1461","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(C5Me4SiMe3)Y(CH2C6H4NMe2)2","","","- C30 H45 N2 Si Y -","- C30 H45 N2 Si Y -","- C60 H90 N4 Si2 Y2 -","2","1","","Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin","Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands","Organometallics","2011","30","9","2513","","10.1021/om1012055","","","0.71073","MoKα","","0.037","0.0307","","","0.0789","0.0804","","","","","","1.033","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064240","17.721","0.004","9.126","0.002","18.273","0.005","90","","118.803","0.004","90","","2589.5","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(C5Me5)Y(CH2C6H4NMe2)2","","","- C28 H39 N2 Y -","- C28 H39 N2 Y -","- C112 H156 N8 Y4 -","4","1","","Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin","Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands","Organometallics","2011","30","9","2513","","10.1021/om1012055","","","0.71073","MoKα","","0.1116","0.0452","","","0.0568","0.0638","","","","","","0.842","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064241","15.734","0.003","10.181","0.002","31.279","0.006","90","","95.408","0.003","90","","4988.2","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(C5Me4H)Y(CH2C6H4NMe2)2","","","- C27 H37 N2 Y -","- C27 H37 N2 Y -","- C216 H296 N16 Y8 -","8","2","","Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin","Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands","Organometallics","2011","30","9","2513","","10.1021/om1012055","","","0.71073","MoKα","","0.1525","0.0631","","","0.0946","0.1064","","","","","","1.004","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064242","22.478","0.004","17.705","0.003","41.032","0.006","90","","104.887","0.003","90","","15782","5","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H129 O Si5 Y5 -","- C66 H129 O Si5 Y5 -","- C528 H1032 O8 Si40 Y40 -","8","1","","Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin","Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands","Organometallics","2011","30","9","2513","","10.1021/om1012055","","","0.71073","MoKα","","0.2338","0.0529","","","0.0573","0.0788","","","","","","0.582","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064243","11.319","0.003","20.477","0.005","11.759","0.003","90","","98.145","0.004","90","","2698","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H90 N2 Y4 -","- C58 H90 N2 Y4 -","- C116 H180 N4 Y8 -","2","0.5","","Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin","Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands","Organometallics","2011","30","9","2513","","10.1021/om1012055","","","0.71073","MoKα","","0.1112","0.0447","","","0.082","0.0965","","","","","","0.988","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064244","22.782","0.002","13.2011","0.0011","24.695","0.002","90","","114.81","0.001","90","","6741.5","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H111 O2 Y5 -","- C63 H111 O2 Y5 -","- C252 H444 O8 Y20 -","4","1","","Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin","Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands","Organometallics","2011","30","9","2513","","10.1021/om1012055","","","0.71073","MoKα","","0.0991","0.0492","","","0.1126","0.125","","","","","","0.9","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064245","12.371","0.002","15.336","0.003","16.871","0.003","90","","90","","90","","3200.8","1","173","2","173","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C52 H92 O4 Y4 -","- C52 H92 O4 Y4 -","- C104 H184 O8 Y8 -","2","0.25","","Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin","Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands","Organometallics","2011","30","9","2513","","10.1021/om1012055","","","0.71073","MoKα","","0.0522","0.0358","","","0.068","0.07","","","","","","0.862","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064246","19.503","0.005","17.833","0.005","12.969","0.004","90","","123.307","0.004","90","","3769.7","1.9","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C74 H118 Y6 -","- C74 H108.5 Y6 -","- C148 H217 Y12 -","2","0.25","","Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin","Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands","Organometallics","2011","30","9","2513","","10.1021/om1012055","","","0.71073","MoKα","","0.187","0.1031","","","0.2014","0.236","","","","","","1.052","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064247","9.5576","0.0005","11.148","0.0006","13.062","0.0007","94.396","0.001","105.03","0.001","98.882","0.001","1318.04","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H42 N2 -","- C30 H42 N2 -","- C60 H84 N4 -","2","1","","Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A.","Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities","Organometallics","2011","30","6","1695","","10.1021/om101207a","","","0.71073","MoKα","","0.0714","0.0537","","","0.1314","0.1409","","","","","","1.065","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064248","11.938","0.0012","18.1666","0.0018","20.536","0.002","100.946","0.002","97.789","0.002","91.155","0.002","4327.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H62 Hf N2 -","- C51 H62 Hf N2 -","- C204 H248 Hf4 N8 -","4","2","","Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A.","Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities","Organometallics","2011","30","6","1695","","10.1021/om101207a","","","0.71073","MoKα","","0.0541","0.031","","","0.0742","0.0826","","","","","","0.927","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064249","6.6799","0.0011","15.299","0.003","9.6124","0.0015","90","","105.091","0.005","90","","948.5","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","1","","Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A.","Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities","Organometallics","2011","30","6","1695","","10.1021/om101207a","","","0.71073","MoKα","","0.0474","0.0391","","","0.103","0.1097","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064250","11.574","0.002","15.157","0.003","18.857","0.004","90","","98.401","0.006","90","","3272.5","1.1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H25 N O -","- C18 H25 N O -","- C144 H200 N8 O8 -","8","1","","Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A.","Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities","Organometallics","2011","30","6","1695","","10.1021/om101207a","","","0.71073","MoKα","","0.0731","0.047","","","0.124","0.1384","","","","","","1.066","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064251","15.6027","0.0013","11.8946","0.001","23.0992","0.0019","90","","98.535","0.001","90","","4239.5","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 Hf N2 -","- C47 H62 Hf N2 -","- C188 H248 Hf4 N8 -","4","1","","Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A.","Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities","Organometallics","2011","30","6","1695","","10.1021/om101207a","","","0.71073","MoKα","","0.0267","0.0198","","","0.046","0.0476","","","","","","1.035","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064252","9.5464","0.0005","21.6933","0.0012","18.9278","0.001","90","","102.96","0.001","90","","3820","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 Hf N2 -","- C43 H54 Hf N2 -","- C172 H216 Hf4 N8 -","4","1","","Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A.","Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities","Organometallics","2011","30","6","1695","","10.1021/om101207a","","","0.71073","MoKα","","0.0287","0.0213","","","0.0513","0.0528","","","","","","0.965","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064253","9.5524","0.0006","21.5376","0.0013","18.9705","0.0011","90","","102.977","0.001","90","","3803.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 N2 Zr -","- C43 H54 N2 Zr -","- C172 H216 N8 Zr4 -","4","1","","Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A.","Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities","Organometallics","2011","30","6","1695","","10.1021/om101207a","","","0.71073","MoKα","","0.0696","0.0422","","","0.0896","0.0977","","","","","","0.95","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064254","11.4876","0.0005","13.0624","0.0006","14.9583","0.0007","84.581","0.001","87.858","0.001","77.745","0.001","2183.28","0.17","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 Ir4 N O11 Sn -","- C37 H35 Ir4 N O11 Sn -","- C74 H70 Ir8 N2 O22 Sn2 -","2","1","","Adams, Richard D.; Chen, Mingwei; Trufan, Eszter; Zhang, Qiang","A New Method for Introducing Tin Ligands into Tetrairidium Dodecacarbonyl","Organometallics","2011","30","4","661","","10.1021/om1012083","","","0.71073","MoKα","","0.0332","0.0298","","","0.0763","0.079","","","","","","1.045","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064255","17.4174","0.0005","18.1114","0.0005","21.109","0.0006","90","","104.08","0.001","90","","6458.9","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H67 Ir4 N O10 Sn2 -","- C62 H67 Ir4 N O10 Sn2 -","- C248 H268 Ir16 N4 O40 Sn8 -","4","1","","Adams, Richard D.; Chen, Mingwei; Trufan, Eszter; Zhang, Qiang","A New Method for Introducing Tin Ligands into Tetrairidium Dodecacarbonyl","Organometallics","2011","30","4","661","","10.1021/om1012083","","","0.71073","MoKα","","0.0761","0.0512","","","0.1032","0.1174","","","","","","1.134","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064256","14.9667","0.0005","15.1697","0.0005","22.6389","0.0008","87.51","0.001","80.445","0.001","68.589","0.001","4718","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H30.5 Ir4 O10 P Sn -","- C46 H30.5 Ir4 O10 P Sn -","- C184 H122 Ir16 O40 P4 Sn4 -","4","2","","Adams, Richard D.; Chen, Mingwei; Trufan, Eszter; Zhang, Qiang","A New Method for Introducing Tin Ligands into Tetrairidium Dodecacarbonyl","Organometallics","2011","30","4","661","","10.1021/om1012083","","","0.71073","MoKα","","0.059","0.0364","","","0.0803","0.0895","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064257","7.7607","0.0016","11.566","0.002","17.456","0.003","95.17","0.03","100.85","0.03","106.03","0.03","1462.2","0.6","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H33 Ag F6 N4 O3 P -","- C25.5 H28 Ag F6 N4 O3 P -","- C51 H56 Ag2 F12 N8 O6 P2 -","2","1","","Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Chen, Ai-Hui; Yang, Xiao-Qiong; Liu, Shu-Wen; Wang, Xiu-Guang","Two N-Heterocyclic Carbene Silver(I) Cyclophanes: Synthesis, Structural Studies, and Recognition forp-Phenylenediamine","Organometallics","2011","30","14","3732","","10.1021/om1012117","","","0.71073","MoKα","","0.0505","0.0455","","","0.1173","0.1193","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064258","10.9637","0.0011","11.6795","0.0012","13.9622","0.0014","102.766","0.002","98.108","0.002","92.161","0.002","1721.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H76 Ag2 F12 N8 O4 P2 -","- C64 H76 Ag2 F12 N8 O4 P2 -","- C64 H76 Ag2 F12 N8 O4 P2 -","1","0.5","","Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Chen, Ai-Hui; Yang, Xiao-Qiong; Liu, Shu-Wen; Wang, Xiu-Guang","Two N-Heterocyclic Carbene Silver(I) Cyclophanes: Synthesis, Structural Studies, and Recognition forp-Phenylenediamine","Organometallics","2011","30","14","3732","","10.1021/om1012117","","","0.71073","MoKα","","0.042","0.0365","","","0.0959","0.1007","","","","","","1.046","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064259","16","0.004","17.277","0.004","18.62","0.004","100.894","0.004","98.465","0.004","111.165","0.004","4581.2","1.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H77 F9 N6 O22 Ru4 S3 -","- C75 H77 F9 N6 O22 Ru4 S3 -","- C150 H154 F18 N12 O44 Ru8 S6 -","2","1","","Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Joshi, Sachin A.; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Constructions of 2D-Metallamacrocycles Using Half-Sandwich RuII2Precursors: Synthesis, Molecular Structures, and Self-Selection for a Single Linkage Isomer","Organometallics","2011","30","7","1951","","10.1021/om2000019","","","0.71073","MoKα","","0.1992","0.1055","","","0.2639","0.3233","","","","","","1.041","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064260","9.4273","0.0008","10.4518","0.0009","22.7684","0.0019","87.064","0.006","85.341","0.006","79.643","0.006","2198","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H78 F12 N6 O22 Ru4 S4 -","- C78 H78 F12 N6 O22 Ru4 S4 -","- C78 H78 F12 N6 O22 Ru4 S4 -","1","0.5","","Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Joshi, Sachin A.; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Constructions of 2D-Metallamacrocycles Using Half-Sandwich RuII2Precursors: Synthesis, Molecular Structures, and Self-Selection for a Single Linkage Isomer","Organometallics","2011","30","7","1951","","10.1021/om2000019","","","0.71073","MoKα","","0.2159","0.0843","","","0.2026","0.2674","","","","","","0.972","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064261","16.364","0.013","17.356","0.015","18.862","0.015","77.887","0.014","75.908","0.013","86.388","0.013","5080","7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H80 F12 N4 O20 Ru4 S4 -","- C88 H80 F12 N4 O20 Ru4 S4 -","- C176 H160 F24 N8 O40 Ru8 S8 -","2","1","","Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Joshi, Sachin A.; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Constructions of 2D-Metallamacrocycles Using Half-Sandwich RuII2Precursors: Synthesis, Molecular Structures, and Self-Selection for a Single Linkage Isomer","Organometallics","2011","30","7","1951","","10.1021/om2000019","","","0.71073","MoKα","","0.3774","0.1353","","","0.3119","0.4473","","","","","","0.931","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064262","18.27","0.003","18.499","0.003","19.008","0.003","107.572","0.003","114.973","0.004","90.672","0.004","5479.4","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 F6 N2 O11.5 Ru2 S2 -","- C52 H43.5 F6 N2 O11.5 Ru2 S2 -","- C208 H174 F24 N8 O46 Ru8 S8 -","4","2","","Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Joshi, Sachin A.; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Constructions of 2D-Metallamacrocycles Using Half-Sandwich RuII2Precursors: Synthesis, Molecular Structures, and Self-Selection for a Single Linkage Isomer","Organometallics","2011","30","7","1951","","10.1021/om2000019","","","0.71073","MoKα","","0.3129","0.237","","","0.4093","0.4447","","","","","","1.305","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064263","17.0531","0.0006","19.1709","0.0007","18.1415","0.0007","90","","117.546","0.001","90","","5258.6","0.3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C50 H48 F6 O10 P2 Ru2 S2 -","- C50 H48 F6 O10 P2 Ru2 S2 -","- C200 H192 F24 O40 P8 Ru8 S8 -","4","1","","Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Joshi, Sachin A.; Patil, Yogesh P.; Mukherjee, Partha Sarathi","Constructions of 2D-Metallamacrocycles Using Half-Sandwich RuII2Precursors: Synthesis, Molecular Structures, and Self-Selection for a Single Linkage Isomer","Organometallics","2011","30","7","1951","","10.1021/om2000019","","","0.71073","MoKα","","0.0852","0.0483","","","0.1306","0.164","","","","","","0.953","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064264","7.6301","0.0003","16.0551","0.0006","9.2431","0.0003","90","","109.296","0.004","90","","1068.69","0.07","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N O2 Zn -","- C9 H13 N O2 Zn -","- C36 H52 N4 O8 Zn4 -","4","1","","Orchard, Katherine L.; Harris, Jonathan E.; White, Andrew J. P.; Shaffer, Milo S. P.; Williams, Charlotte K.","Solvent Dependence of the Structure of Ethylzinc Acetate and Its Application in CO2/Epoxide Copolymerization","Organometallics","2011","30","8","2223","","10.1021/om200004a","","","1.54184","CuKα","","0.0482","0.0399","","","0.1201","0.1251","","","","","","1.067","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064265","13.4868","0.0005","9.2244","0.0004","9.2241","0.0003","90","","90","","90","","1147.55","0.08","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H16 O4 Zn2 -","- C8 H16 O4 Zn2 -","- C32 H64 O16 Zn8 -","4","1","","Orchard, Katherine L.; Harris, Jonathan E.; White, Andrew J. P.; Shaffer, Milo S. P.; Williams, Charlotte K.","Solvent Dependence of the Structure of Ethylzinc Acetate and Its Application in CO2/Epoxide Copolymerization","Organometallics","2011","30","8","2223","","10.1021/om200004a","","","1.54184","CuKα","","0.0651","0.0396","","","0.094","0.1342","","","","","","1.165","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064266","11.975","0.003","13.009","0.004","14.511","0.004","90","","113.393","0.013","90","","2074.8","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-3,4-dicymantrenyl-1,1,2,2,3,4,-hexafluorocyclobutane","","- C20 H8 F6 Mn2 O6 -","- C20 H8 F6 Mn2 O6 -","- C80 H32 F24 Mn8 O24 -","4","1","","Roemer, Max; Schmiel, Peter; Lentz, Dieter","Cymantrene- and Ferrocene-Based Complexes with Perfluorinated Bridging Moieties","Organometallics","2011","30","7","2063","","10.1021/om2000053","","","0.71073","MoKα","","0.07","0.0492","","","0.1151","0.1265","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064267","6.764","0.002","15.254","0.005","16.83","0.005","90","","97.149","0.007","90","","1723","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-(1-Cymantrenyl-2-ferrocenyl)-1,2-difluoroethene","","- C20 H13 F2 Fe Mn O3 -","- C20 H13 F2 Fe Mn O3 -","- C80 H52 F8 Fe4 Mn4 O12 -","4","1","","Roemer, Max; Schmiel, Peter; Lentz, Dieter","Cymantrene- and Ferrocene-Based Complexes with Perfluorinated Bridging Moieties","Organometallics","2011","30","7","2063","","10.1021/om2000053","","","0.71073","MoKα","","0.0502","0.0381","","","0.0796","0.0837","","","","","","1.1","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064268","36.441","0.003","19.0149","0.0008","11.6868","0.0009","90","","92.213","0.004","90","","8092","1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 Cl3 Li O3 P2 S2 U -","- C37 H44 Cl3 Li O3 P2 S2 U -","- C296 H352 Cl24 Li8 O24 P16 S16 U8 -","8","2","","Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel","Uranium(IV) Nucleophilic Carbene Complexes","Organometallics","2011","30","11","2957","","10.1021/om200006g","","","0.71073","MoKα","","0.1303","0.0835","","","0.2119","0.2304","","","","","","1.06","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064269","11.5147","0.0007","28.371","0.002","11.5957","0.0011","90","","98.252","0.005","90","","3748.9","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 Cl6 Li2 O4 P4 S4 U2 -","- C66 H76 Cl6 Li2 O4 P4 S4 U2 -","- C132 H152 Cl12 Li4 O8 P8 S8 U4 -","2","0.5","","Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel","Uranium(IV) Nucleophilic Carbene Complexes","Organometallics","2011","30","11","2957","","10.1021/om200006g","","","0.71073","MoKα","","0.097","0.0516","","","0.0759","0.086","","","","","","1.028","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064270","38.644","0.003","13.7549","0.0008","20.2815","0.0009","90","","113.383","0.003","90","","9895.1","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H45 N P4 S5 U -","- C55 H45 N P4 S5 U -","- C440 H360 N8 P32 S40 U8 -","8","1","","Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel","Uranium(IV) Nucleophilic Carbene Complexes","Organometallics","2011","30","11","2957","","10.1021/om200006g","","","0.71073","MoKα","","0.0804","0.0489","","","0.1108","0.1213","","","","","","1.014","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064271","11.6055","0.0005","12.4377","0.0009","22.338","0.0015","102.783","0.003","91.916","0.003","114.428","0.004","2834.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H59 N P4 S4 U -","- C61 H59 N P4 S4 U -","- C122 H118 N2 P8 S8 U2 -","2","1","","Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel","Uranium(IV) Nucleophilic Carbene Complexes","Organometallics","2011","30","11","2957","","10.1021/om200006g","","","0.71073","MoKα","","0.061","0.0417","","","0.0991","0.1053","","","","","","1.014","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064272","11.893","0.0013","13.3571","0.001","13.8449","0.0012","72.795","0.005","87.145","0.004","63.896","0.005","1878.3","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H92 Li2 N2 O6 P4 S4 U2 -","- C74 H92 Li2 N2 O6 P4 S4 U2 -","- C74 H92 Li2 N2 O6 P4 S4 U2 -","1","0.5","","Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel","Uranium(IV) Nucleophilic Carbene Complexes","Organometallics","2011","30","11","2957","","10.1021/om200006g","","","0.71073","MoKα","","0.0492","0.0332","","","0.0613","0.0652","","","","","","0.968","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064273","12.8993","0.0006","16.7058","0.001","18.289","0.0013","84.286","0.004","82.55","0.004","70.172","0.003","3669.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H66 Cl3 P4 S4 Tl U2 -","- C74 H66 Cl3 P4 S4 Tl U2 -","- C148 H132 Cl6 P8 S8 Tl2 U4 -","2","1","","Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel","Uranium(IV) Nucleophilic Carbene Complexes","Organometallics","2011","30","11","2957","","10.1021/om200006g","","","0.71073","MoKα","","0.0608","0.0366","","","0.0757","0.0811","","","","","","0.944","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064274","17.6971","0.0012","12.2271","0.0009","19.7485","0.0009","90","","109.576","0.004","90","","4026.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 P2 S2 U -","- C45 H50 P2 S2 U -","- C180 H200 P8 S8 U4 -","4","1","","Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel","Uranium(IV) Nucleophilic Carbene Complexes","Organometallics","2011","30","11","2957","","10.1021/om200006g","","","0.71073","MoKα","","0.0552","0.0334","","","0.0617","0.0659","","","","","","0.975","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064275","12.2184","0.001","15.2045","0.0008","21.5057","0.0019","90","","102.369","0.005","90","","3902.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H42 O P2 S2 U -","- C39.5 H42 O P2 S2 U -","- C158 H168 O4 P8 S8 U4 -","4","1","","Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel","Uranium(IV) Nucleophilic Carbene Complexes","Organometallics","2011","30","11","2957","","10.1021/om200006g","","","0.71073","MoKα","","0.0929","0.0502","","","0.1156","0.1303","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064276","11.6822","0.0008","11.7376","0.0008","6.222","0.0004","90","","90.0466","0.0018","90","","853.17","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Ag2 Cl O4 S -","- C6 H3 Ag2 Cl O4 S -","- C24 H12 Ag8 Cl4 O16 S4 -","4","1","","Deng, Zhao-Peng; Li, Ming-Shuai; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Rare Organosilver(I) Coordination Polymers Constructed from Hydroxyl-Substituted Benzenesulfonic Acids: Syntheses, Structures and Characterizations","Organometallics","2011","30","7","1961","","10.1021/om200009f","","","0.71073","MoKα","","0.0268","0.025","","","0.0604","0.0614","","","","","","1.06","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064277","9.6946","0.0019","11.245","0.002","9.2827","0.0019","90","","100.76","0.03","90","","994.2","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Ag2 Cl O5 S -","- C6 H5 Ag2 Cl O5 S -","- C24 H20 Ag8 Cl4 O20 S4 -","4","1","","Deng, Zhao-Peng; Li, Ming-Shuai; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Rare Organosilver(I) Coordination Polymers Constructed from Hydroxyl-Substituted Benzenesulfonic Acids: Syntheses, Structures and Characterizations","Organometallics","2011","30","7","1961","","10.1021/om200009f","","","0.71073","MoKα","","0.0303","0.0282","","","0.0697","0.071","","","","","","1.071","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064278","9.7366","0.0019","11.322","0.002","9.4589","0.0019","90","","101.22","0.03","90","","1022.8","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Ag2 Br O5 S -","- C6 H5 Ag2 Br O5 S -","- C24 H20 Ag8 Br4 O20 S4 -","4","1","","Deng, Zhao-Peng; Li, Ming-Shuai; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Rare Organosilver(I) Coordination Polymers Constructed from Hydroxyl-Substituted Benzenesulfonic Acids: Syntheses, Structures and Characterizations","Organometallics","2011","30","7","1961","","10.1021/om200009f","","","0.71073","MoKα","","0.0349","0.0296","","","0.0682","0.0748","","","","","","1.073","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064279","11.761","0.002","23.561","0.005","5.7475","0.0011","90","","91.35","0.03","90","","1592.2","0.5","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H8 Ag5 N3 O11 S2 -","- C6 H8 Ag5 N3 O11 S2 -","- C24 H32 Ag20 N12 O44 S8 -","4","0.5","","Deng, Zhao-Peng; Li, Ming-Shuai; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Rare Organosilver(I) Coordination Polymers Constructed from Hydroxyl-Substituted Benzenesulfonic Acids: Syntheses, Structures and Characterizations","Organometallics","2011","30","7","1961","","10.1021/om200009f","","","0.71073","MoKα","","0.0521","0.0494","","","0.1236","0.1259","","","","","","1.083","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064280","7.729","0.004","9.632","0.005","9.909","0.005","74.604","0.006","74.957","0.005","72.13","0.005","664","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","ansa-Cbc-Naph","l,l'-( 1,8-naphthalenediyl)cobaltocene","","- C20 H14 Co -","- C20 H14 Co -","- C40 H28 Co2 -","2","1","","Pagels, Nils; Prosenc, Marc H.; Heck, Jürgen","Anansa-Cobaltocene with a Naphthalene Handle: Synthesis and Spectroscopic and Structural Characterization","Organometallics","2011","30","7","1968","","10.1021/om200013t","","","0.71073","MoKα","","0.0861","0.0547","","","0.1121","0.1258","","","","","","1.009","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064281","6.9383","0.0017","13.765","0.003","8.974","0.002","90","","97.527","0.003","90","","849.7","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","ansa-Cbc-Naph-PF6","l,l'-( 1,8-Naphthalenediyl)cobaltocenium hexafluorophosphate","","- C20 H14 Co F6 P -","- C20 H14 Co F6 P -","- C40 H28 Co2 F12 P2 -","2","0.5","","Pagels, Nils; Prosenc, Marc H.; Heck, Jürgen","Anansa-Cobaltocene with a Naphthalene Handle: Synthesis and Spectroscopic and Structural Characterization","Organometallics","2011","30","7","1968","","10.1021/om200013t","","","0.71073","MoKα","","0.031","0.0259","","","0.0685","0.0719","","","","","","1.085","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064282","12.0752","0.0013","30.335","0.003","24.098","0.003","90","","98.459","0.002","90","","8731.1","1.7","296","","296","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Ag15 B F34 N2 O30 -","- C48 H34 Ag15 B F34 N2 O30 -","- C192 H136 Ag60 B4 F136 N8 O120 -","4","0.5","","Li, Bo; Zang, Shuang-Quan; Liang, Ran; Wu, Yang-Jie; Mak, Thomas C. W.","Silver(I)−Organic Networks Assembled with Propargyl-Functionalized Di- and Trihydroxybenzenes","Organometallics","2011","30","6","1710","","10.1021/om2000162","","","0.71073","MoKα","","0.1235","0.0738","","","0.213","0.2436","","","","","","1.008","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064283","11.892","0.002","14.616","0.003","14.813","0.003","107.88","0.03","109.19","0.03","95.85","0.03","2254.5","1.1","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H13 Ag9 F21 N O17 -","- C28 H13 Ag9 F21 N O17 -","- C56 H26 Ag18 F42 N2 O34 -","2","1","","Li, Bo; Zang, Shuang-Quan; Liang, Ran; Wu, Yang-Jie; Mak, Thomas C. W.","Silver(I)−Organic Networks Assembled with Propargyl-Functionalized Di- and Trihydroxybenzenes","Organometallics","2011","30","6","1710","","10.1021/om2000162","","","0.71073","MoKα","","0.0728","0.0661","","","0.2038","0.2112","","","","","","1.021","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064284","11.504","0.007","14.494","0.008","15.198","0.009","62.249","0.011","69.626","0.011","73.765","0.012","2081","2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Ag12 F30 N6 O27 -","- C44 H34 Ag12 F30 N6 O27 -","- C44 H34 Ag12 F30 N6 O27 -","1","0.5","","Li, Bo; Zang, Shuang-Quan; Liang, Ran; Wu, Yang-Jie; Mak, Thomas C. W.","Silver(I)−Organic Networks Assembled with Propargyl-Functionalized Di- and Trihydroxybenzenes","Organometallics","2011","30","6","1710","","10.1021/om2000162","","","0.71073","MoKα","","0.1106","0.0656","","","0.1755","0.1987","","","","","","0.983","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064285","17.0118","0.0016","17.1524","0.0017","17.9913","0.0016","89.85","0.002","79.799","0.002","88.085","0.002","5163.8","0.8","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H35 Ag19 F39 N5 O33 -","- C66 H35 Ag19 F39 N5 O33 -","- C132 H70 Ag38 F78 N10 O66 -","2","1","","Li, Bo; Zang, Shuang-Quan; Liang, Ran; Wu, Yang-Jie; Mak, Thomas C. W.","Silver(I)−Organic Networks Assembled with Propargyl-Functionalized Di- and Trihydroxybenzenes","Organometallics","2011","30","6","1710","","10.1021/om2000162","","","0.71073","MoKα","","0.1258","0.0804","","","0.172","0.1931","","","","","","1.055","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064286","12.0107","0.0011","12.3621","0.0014","21.114","0.005","77.852","0.014","74.612","0.013","70.394","0.009","2821.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H89 N4 O Si2 -","- C61 H89 N4 O Si2 -","- C122 H178 N8 O2 Si4 -","2","1","","Yao, Shenglai; Xiong, Yun; Driess, Matthias","Zwitterionic and Donor-Stabilized N-Heterocyclic Silylenes (NHSis) for Metal-Free Activation of Small Molecules","Organometallics","2011","30","7","1748","","10.1021/om200017h","","","0.71073","MoKα","","0.0772","0.0468","","","0.0951","0.1028","","","","","","1.05","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064287","7.8457","0.0002","15.1119","0.0004","19.1215","0.0004","90","","91.798","0.002","90","","2265.99","0.1","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C43 H47 O10 Pd2 Te4 -","- C43 H47 O10 Pd2 Te4 -","- C86 H94 O20 Pd4 Te8 -","2","0.25","","Chakraborty, Tapash; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Reactions of Di-o-tolyl Telluride and Selenide with Palladium Acetate: Isolation of a Novel Palladium Complex of a Tellurenic Acid Anhydride and Related Trinuclear and Tetranuclear Palladium Complexes","Organometallics","2011","30","9","2525","","10.1021/om2000184","","","0.71073","MoKα","","0.0294","0.0214","","","0.048","0.05","","","","","","1.028","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064288","10.1676","0.0002","10.3479","0.0003","14.0427","0.0003","71.258","0.003","87.1053","0.0019","64.937","0.003","1261.07","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 O8 Pd3 Te2 -","- C50 H54 O8 Pd3 Te2 -","- C50 H54 O8 Pd3 Te2 -","1","0.5","","Chakraborty, Tapash; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Reactions of Di-o-tolyl Telluride and Selenide with Palladium Acetate: Isolation of a Novel Palladium Complex of a Tellurenic Acid Anhydride and Related Trinuclear and Tetranuclear Palladium Complexes","Organometallics","2011","30","9","2525","","10.1021/om2000184","","","0.71073","MoKα","","0.0915","0.0578","","","0.1054","0.1189","","","","","","1.078","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064289","18.1021","0.0012","13.1486","0.0009","18.6113","0.0012","90","","104.214","0.007","90","","4294.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 O8 Pd4 Se4 -","- C36 H40 O8 Pd4 Se4 -","- C144 H160 O32 Pd16 Se16 -","4","0.5","","Chakraborty, Tapash; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Reactions of Di-o-tolyl Telluride and Selenide with Palladium Acetate: Isolation of a Novel Palladium Complex of a Tellurenic Acid Anhydride and Related Trinuclear and Tetranuclear Palladium Complexes","Organometallics","2011","30","9","2525","","10.1021/om2000184","","","1.54184","CuKα","","0.1281","0.0975","","","0.2267","0.2501","","","","","","1.356","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064290","13.1414","0.0009","18.0238","0.0013","18.1292","0.0013","90","","90","","90","","4294","0.5","208","2","208","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Br F11 Ir O2 -","- C18 H15 Br F11 Ir O2 -","- C144 H120 Br8 F88 Ir8 O16 -","8","1","","Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.","Unexpected Synthesis of a Perfluoroacyl Complex, Cp*Ir(CO)(COC6F11)Br, by Direct Fluoroalkylation of a CO Ligand, and Elimination of Perfluorocyclohexene by Activation of a γ-C−F Bond","Organometallics","2011","30","6","1744","","10.1021/om200019d","","","0.71073","MoKα","","0.0264","0.0212","","","0.0534","0.0571","","","","","","1.043","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064291","18.7428","0.0003","15.5144","0.0003","18.7568","0.0003","90","","115.691","0.001","90","","4914.99","0.15","193","2","193","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H82 Ge2 Mg O2 Si6 -","- C31 H82 Ge2 Mg O2 Si6 -","- C124 H328 Ge8 Mg4 O8 Si24 -","4","0.5","","Matioszek, Dimitri; Katir, Nadia; Ladeira, Sonia; Castel, Annie","Novel Stable Silyl, Germyl, and Stannyl Germanium(II) Compounds Containing an Amidinato Ligand","Organometallics","2011","30","8","2230","","10.1021/om200024d","","x-ray","0.71073","MoKα","","0.053","0.0331","","","0.0846","0.0971","","","","","","1.036","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064292","27.4165","0.0015","9.8904","0.0005","19.4619","0.001","90","","119.091","0.002","90","","4611.6","0.4","193","2","193","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H70 Mg O2 Si6 Sn2 -","- C26 H70 Mg O2 Si6 Sn2 -","- C104 H280 Mg4 O8 Si24 Sn8 -","4","0.5","","Matioszek, Dimitri; Katir, Nadia; Ladeira, Sonia; Castel, Annie","Novel Stable Silyl, Germyl, and Stannyl Germanium(II) Compounds Containing an Amidinato Ligand","Organometallics","2011","30","8","2230","","10.1021/om200024d","","x-ray","0.71073","MoKα","","0.062","0.0501","","","0.1224","0.1304","","","","","","1.04","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064293","12.0229","0.0002","15.153","0.0003","20.1949","0.0004","90","","112.239","0.001","90","","3405.49","0.11","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Ge N2 Si6 -","- C22 H50 Ge N2 Si6 -","- C88 H200 Ge4 N8 Si24 -","4","1","","Matioszek, Dimitri; Katir, Nadia; Ladeira, Sonia; Castel, Annie","Novel Stable Silyl, Germyl, and Stannyl Germanium(II) Compounds Containing an Amidinato Ligand","Organometallics","2011","30","8","2230","","10.1021/om200024d","","x-ray","0.71073","MoKα","","0.0453","0.0287","","","0.0677","0.076","","","","","","1.057","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064294","12.0398","0.0002","15.1685","0.0003","20.2419","0.0004","90","","112.283","0.001","90","","3420.63","0.11","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Ge2 N2 Si5 -","- C22 H50 Ge2 N2 Si5 -","- C88 H200 Ge8 N8 Si20 -","4","1","","Matioszek, Dimitri; Katir, Nadia; Ladeira, Sonia; Castel, Annie","Novel Stable Silyl, Germyl, and Stannyl Germanium(II) Compounds Containing an Amidinato Ligand","Organometallics","2011","30","8","2230","","10.1021/om200024d","","x-ray","0.71073","MoKα","","0.0698","0.0351","","","0.0727","0.0832","","","","","","0.991","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064295","12.2717","0.0003","15.2516","0.0004","20.4014","0.0006","90","","112.933","0.002","90","","3516.59","0.17","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Ge N2 Si5 Sn -","- C22 H50 Ge N2 Si5 Sn -","- C88 H200 Ge4 N8 Si20 Sn4 -","4","1","","Matioszek, Dimitri; Katir, Nadia; Ladeira, Sonia; Castel, Annie","Novel Stable Silyl, Germyl, and Stannyl Germanium(II) Compounds Containing an Amidinato Ligand","Organometallics","2011","30","8","2230","","10.1021/om200024d","","x-ray","0.71073","MoKα","","0.0852","0.0397","","","0.0721","0.0845","","","","","","0.996","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064296","17.6395","0.0006","9.9581","0.0003","24.7392","0.0011","90","","108.739","0.001","90","","4115.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis,cis-1,3,5-Trihydroxynonamethylcyclohexasilane","","- C9 H30 O3 Si6 -","- C9 H30 O3 Si6 -","- C72 H240 O24 Si48 -","8","1","","Stueger, Harald; Albering, Joerg; Flock, Michaela; Fuerpass, Gottfried; Mitterfellner, Thomas","cis,cis-1,3,5-Trihydroxynonamethylcyclohexasilane: A Cyclopolysilane with Unusual Properties","Organometallics","2011","30","9","2531","","10.1021/om200025n","","","0.71073","MoKα","","0.0226","0.0189","","","0.0586","0.0658","","","","","","1.138","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064297","15.649","0.003","13.917","0.003","10.222","0.002","90","","97.91","0.03","90","","2205","0.8","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C10 H30 O3 Si7 -","- C10 H30 O3 Si7 -","- C40 H120 O12 Si28 -","4","0.5","","Stueger, Harald; Albering, Joerg; Flock, Michaela; Fuerpass, Gottfried; Mitterfellner, Thomas","cis,cis-1,3,5-Trihydroxynonamethylcyclohexasilane: A Cyclopolysilane with Unusual Properties","Organometallics","2011","30","9","2531","","10.1021/om200025n","","","0.71073","MoKα","","0.0274","0.0267","","","0.0707","0.0712","","","","","","1.136","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064298","15.373","0.009","19.751","0.012","17.321","0.01","90","","96.782","0.01","90","","5222","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H88 Ir2 N8 O2 -","- C110 H88 Ir2 N8 O2 -","- C220 H176 Ir4 N16 O4 -","2","0.5","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Aryl Carbon−Bromine Bond Cleavage by Iridium(III) Porphyrin for Iridium(III) Porphyrin Aryl Synthesis: A Metalloradical Ipso Addition−Elimination Mechanism","Organometallics","2011","30","7","1768","","10.1021/om200027q","","","0.71073","MoKα","","0.1","0.0585","","","0.1372","0.15","","","","","","0.902","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064299","12.8884","0.0005","13.4573","0.0005","15.4273","0.0006","110.607","0.002","96.794","0.003","97.9","0.002","2440.37","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H134 K2 N4 Si4 -","- C100 H134 K2 N4 Si4 -","- C100 H134 K2 N4 Si4 -","1","0.5","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Suppression of Schlenk Equilibration and Heavier Alkaline Earth Alkyl Catalysis: A Dearomatization Strategy","Organometallics","2011","30","6","1291","","10.1021/om200028m","","","0.71073","MoKα","","0.099","0.0704","","","0.1528","0.1706","","","","","","1.1","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064300","10.6263","0.0015","16.654","0.003","21.36","0.003","80.515","0.008","79.918","0.01","87.793","0.012","3670.7","1","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H106 N8 O Ru2 Si2 -","- C74 H106 N8 O Ru2 Si2 -","- C148 H212 N16 O2 Ru4 Si4 -","2","1","","Forrest, William P.; Cao, Zhi; Fanwick, Phillip E.; Hassell, Kerry M.; Ren, Tong","Bimetallic Organometallic Compounds of σ-gem-Diethynylethene (gem-DEE) Ligands:trans-Ru2(DMBA)4(gem-DEE)2","Organometallics","2011","30","8","2075","","10.1021/om200029v","","","1.54184","CU-Kα","","0.099","0.078","","","0.218","0.234","","","","","","1.124","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4064301","17.632","0.002","17.754","0.001","17.587","0.002","90","","90","","90","","5505.4","0.9","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C61 H48 Cl F6 P5 Ru S2 -","- C61 H48 Cl F6 P5 Ru S2 -","- C244 H192 Cl4 F24 P20 Ru4 S8 -","4","0.5","","Koutsantonis, George A.; Schauer, Phil A.; Skelton, Brian W.","Thienyl-Substituted Allenylideneruthenium(II) Complexes: Synthesis, Spectroscopic Characterization, and Electrochemical Studies","Organometallics","2011","30","10","2680","","10.1021/om200030n","","","0.71073","MoKα","","0.0926","0.0556","","","0.1388","0.1821","","","","","","1.139","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064302","8.553","0.002","11.092","0.003","11.628","0.003","69.9","0.01","81.25","0.02","79.82","0.02","1014.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cu F6 N4 P -","- C18 H22 Cu F6 N4 P -","- C36 H44 Cu2 F12 N8 P2 -","2","1","","Liu, Xianghao; Pattacini, Roberto; Deglmann, Peter; Braunstein, Pierre","Do Short C‒H‒M (M = Cu(I), Ag(I)) Distances Represent Agostic Interactions in Pincer-Type Complexes? Unusual NHC Transmetalation from Cu(I) to Ag(I)","Organometallics","2011","30","12","3302","","10.1021/om200033m","","x-ray","0.71073","MoKα","","0.0902","0.0579","","","0.1499","0.1653","","","","","","1.051","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064303","8.507","0.002","19.316","0.003","13.392","0.002","90","","91.27","0.03","90","","2200","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Ag F3 N4 O3 S -","- C19 H22 Ag F3 N4 O3 S -","- C76 H88 Ag4 F12 N16 O12 S4 -","4","1","","Liu, Xianghao; Pattacini, Roberto; Deglmann, Peter; Braunstein, Pierre","Do Short C‒H‒M (M = Cu(I), Ag(I)) Distances Represent Agostic Interactions in Pincer-Type Complexes? Unusual NHC Transmetalation from Cu(I) to Ag(I)","Organometallics","2011","30","12","3302","","10.1021/om200033m","","x-ray","0.71073","MoKα","","0.0928","0.0744","","","0.1574","0.1624","","","","","","1.274","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064304","9.225","0.003","9.724","0.004","11.542","0.003","90","","90","","90","","1035.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Siwatch, Rahul Kumar; Kundu, Subrata; Kumar, Dinesh; Nagendran, Selvarajan","Bulky Aminotroponiminate-Stabilized Germylene Monochloride and Its Alkyne Derivatives","Organometallics","2011","30","7","1998","","10.1021/om200035z","","","0.71073","MoKα","","0.0662","0.0615","","","0.1659","0.1719","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064305","10.474","0.0011","30.524","0.003","9.0531","0.0009","90","","94.747","0.002","90","","2884.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 -","- C15 H24 N2 -","- C120 H192 N16 -","8","2","","Siwatch, Rahul Kumar; Kundu, Subrata; Kumar, Dinesh; Nagendran, Selvarajan","Bulky Aminotroponiminate-Stabilized Germylene Monochloride and Its Alkyne Derivatives","Organometallics","2011","30","7","1998","","10.1021/om200035z","","","0.71073","MoKα","","0.0576","0.0527","","","0.1201","0.123","","","","","","1.073","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064306","16.095","0.003","17.082","0.004","18.289","0.003","90","","114.442","0.003","90","","4577.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H39 Li N2 O2 -","- C23 H39 Li N2 O2 -","- C184 H312 Li8 N16 O16 -","8","2","","Siwatch, Rahul Kumar; Kundu, Subrata; Kumar, Dinesh; Nagendran, Selvarajan","Bulky Aminotroponiminate-Stabilized Germylene Monochloride and Its Alkyne Derivatives","Organometallics","2011","30","7","1998","","10.1021/om200035z","","","0.71073","MoKα","","0.0897","0.0572","","","0.1302","0.1431","","","","","","1.037","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064307","9.5032","0.0013","9.9859","0.0014","16.714","0.002","90","","90","","90","","1586.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Cl Ge N2 -","- C15 H23 Cl Ge N2 -","- C60 H92 Cl4 Ge4 N8 -","4","1","","Siwatch, Rahul Kumar; Kundu, Subrata; Kumar, Dinesh; Nagendran, Selvarajan","Bulky Aminotroponiminate-Stabilized Germylene Monochloride and Its Alkyne Derivatives","Organometallics","2011","30","7","1998","","10.1021/om200035z","","","0.71073","MoKα","","0.0379","0.0341","","","0.0797","0.0808","","","","","","1.082","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064308","10.3288","0.0018","11.892","0.002","12.511","0.002","104.196","0.003","108.32","0.004","112.164","0.003","1229.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 Fe Ge N2 -","- C27 H32 Fe Ge N2 -","- C54 H64 Fe2 Ge2 N4 -","2","1","","Siwatch, Rahul Kumar; Kundu, Subrata; Kumar, Dinesh; Nagendran, Selvarajan","Bulky Aminotroponiminate-Stabilized Germylene Monochloride and Its Alkyne Derivatives","Organometallics","2011","30","7","1998","","10.1021/om200035z","","","0.71073","MoKα","","0.0467","0.0371","","","0.0944","0.0991","","","","","","1.046","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064309","9.2986","0.0009","9.3511","0.0009","12.3193","0.0012","105.409","0.002","92.289","0.003","98.882","0.002","1016.61","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 Ge N2 -","- C23 H28 Ge N2 -","- C46 H56 Ge2 N4 -","2","1","","Siwatch, Rahul Kumar; Kundu, Subrata; Kumar, Dinesh; Nagendran, Selvarajan","Bulky Aminotroponiminate-Stabilized Germylene Monochloride and Its Alkyne Derivatives","Organometallics","2011","30","7","1998","","10.1021/om200035z","","","0.71073","MoKα","","0.0322","0.0272","","","0.0663","0.0675","","","","","","1.067","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064310","9.4388","0.0012","9.8559","0.0013","10.9322","0.0014","92.531","0.002","91.78","0.002","111.909","0.001","941.4","0.2","298","3","298","3","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 B Ir N4 O2 -","- C16 H24 B Ir N4 O2 -","- C32 H48 B2 Ir2 N8 O4 -","2","1","","Chen, Fei; Sun, Jia-Feng; Li, Tao-Yuan; Chen, Xue-Tai; Xue, Zi-Ling","Iridium(I) and Rhodium(I) Carbonyl Complexes with the Bis(3-tert-butylimidazol-2-ylidene)borate Ligand and Unusual B−H Fluorination","Organometallics","2011","30","7","2006","","10.1021/om200036w","","","0.71073","MoKα","","0.031","0.0298","","","0.0773","0.078","","","","","","1.003","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064311","9.4507","0.0015","9.8447","0.0015","10.9766","0.0017","92.321","0.002","91.979","0.002","111.706","0.001","946.7","0.3","298","3","298","3","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 B N4 O2 Rh -","- C16 H24 B N4 O2 Rh -","- C32 H48 B2 N8 O4 Rh2 -","2","1","","Chen, Fei; Sun, Jia-Feng; Li, Tao-Yuan; Chen, Xue-Tai; Xue, Zi-Ling","Iridium(I) and Rhodium(I) Carbonyl Complexes with the Bis(3-tert-butylimidazol-2-ylidene)borate Ligand and Unusual B−H Fluorination","Organometallics","2011","30","7","2006","","10.1021/om200036w","","","0.71073","MoKα","","0.04","0.0381","","","0.1066","0.1076","","","","","","1.008","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064312","9.4801","0.0005","10.0091","0.0006","10.943","0.0006","93.55","0.001","90.963","0.001","112.116","0.001","959.2","0.09","298","3","298","3","","","","","","","","7","P -1","-P 1","2","","","","- C16 H22 B F2 N4 O2 Rh -","- C16 H22 B F2 N4 O2 Rh -","- C32 H44 B2 F4 N8 O4 Rh2 -","2","1","","Chen, Fei; Sun, Jia-Feng; Li, Tao-Yuan; Chen, Xue-Tai; Xue, Zi-Ling","Iridium(I) and Rhodium(I) Carbonyl Complexes with the Bis(3-tert-butylimidazol-2-ylidene)borate Ligand and Unusual B−H Fluorination","Organometallics","2011","30","7","2006","","10.1021/om200036w","","","0.71073","MoKα","","0.0304","0.0258","","","0.0589","0.0603","","","","","","1.003","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064313","12.732","0.002","13.341","0.002","14.722","0.003","113.47","0.01","98.63","0.02","104.93","0.02","2124.4","0.8","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H26 Si3 -","- C17 H26 Si3 -","- C68 H104 Si12 -","4","2","","Kownacki, Ireneusz; Marciniec, Bogdan; Dudziec, Beata; Kubicki, Maciej","Silylative Coupling of Terminal Alkynes with Iodosilanes: New Catalytic Activation of sp-Hybridized Carbon−Hydrogen Bonds","Organometallics","2011","30","9","2539","","10.1021/om200038r","","","1.54178","CuKα","","0.0577","0.052","","","0.1163","0.1194","","","","","","1.128","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064314","18.683","0.003","10.077","0.002","12.429","0.003","90","","90.76","0.01","90","","2339.8","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Si3 -","- C22 H28 Si3 -","- C88 H112 Si12 -","4","1","","Kownacki, Ireneusz; Marciniec, Bogdan; Dudziec, Beata; Kubicki, Maciej","Silylative Coupling of Terminal Alkynes with Iodosilanes: New Catalytic Activation of sp-Hybridized Carbon−Hydrogen Bonds","Organometallics","2011","30","9","2539","","10.1021/om200038r","","","0.71073","MoKα","","0.0518","0.0402","","","0.101","0.1081","","","","","","1.028","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064315","7.9314","0.0009","8.6025","0.001","21.52","0.003","82.076","0.01","85.871","0.01","62.673","0.012","1291.9","0.3","295","1","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H32 Cl Ir N2 O Si -","- C22 H32 Cl Ir N2 O Si -","- C44 H64 Cl2 Ir2 N4 O2 Si2 -","2","1","","Kownacki, Ireneusz; Marciniec, Bogdan; Dudziec, Beata; Kubicki, Maciej","Silylative Coupling of Terminal Alkynes with Iodosilanes: New Catalytic Activation of sp-Hybridized Carbon−Hydrogen Bonds","Organometallics","2011","30","9","2539","","10.1021/om200038r","","","0.71073","MoKα","","0.096","0.0638","","","0.1372","0.1453","","","","","","1.035","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064316","9.9732","0.0009","27.112","0.002","13.4556","0.0012","90","","98.623","0.002","90","","3597.2","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H51 B2 K N P Si2 Yb -","- C29 H51 B2 K N P Si2 Yb -","- C116 H204 B8 K4 N4 P4 Si8 Yb4 -","4","1","","Cui, Peng; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Versatile Reactivities ofansa-Heteroborabenzene Divalent Ytterbium Amide toward Alkali-Metal Salts and the Generation of Heterometallic Ytterbium−Alkali-Metal Boratabenzene Complexes","Organometallics","2011","30","7","2012","","10.1021/om200040z","","","0.71073","MoKα","","0.0862","0.0543","","","0.117","0.126","","","","","","0.957","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064317","9.744","0.002","12.58","0.003","15.503","0.004","87.946","0.004","73.125","0.004","80.974","0.005","1795.9","0.7","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H98 B4 N2 Na2 O2 P2 Si4 Yb2 -","- C56 H96 B4 N2 Na2 O2 P2 Si4 Yb2 -","- C56 H96 B4 N2 Na2 O2 P2 Si4 Yb2 -","1","0.5","","Cui, Peng; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Versatile Reactivities ofansa-Heteroborabenzene Divalent Ytterbium Amide toward Alkali-Metal Salts and the Generation of Heterometallic Ytterbium−Alkali-Metal Boratabenzene Complexes","Organometallics","2011","30","7","2012","","10.1021/om200040z","","","0.71073","MoKα","","0.1119","0.077","","","0.1799","0.2035","","","","","","0.943","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4064318","8.9337","0.0012","14.898","0.002","18.102","0.003","112.587","0.002","103.302","0.002","93.817","0.002","2132.4","0.5","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H66 B2 Li4 N4 Si4 -","- C30 H66 B2 Li4 N4 Si4 -","- C60 H132 B4 Li8 N8 Si8 -","2","1","","Cui, Peng; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Versatile Reactivities ofansa-Heteroborabenzene Divalent Ytterbium Amide toward Alkali-Metal Salts and the Generation of Heterometallic Ytterbium−Alkali-Metal Boratabenzene Complexes","Organometallics","2011","30","7","2012","","10.1021/om200040z","","","0.71073","MoKα","","0.0936","0.0612","","","0.1804","0.2195","","","","","","1.061","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064319","12.7326","0.0003","22.1068","0.0008","24.1922","0.0007","90","","108.346","0.002","90","","6463.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","IPrAuBIANSbF6","","- C64 H78 Au Cl2 F6 N4 Sb -","- C64 H78 Au Cl2 F6 N4 Sb -","- C256 H312 Au4 Cl8 F24 N16 Sb4 -","4","1","","de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre","Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes","Organometallics","2011","30","8","2241","","10.1021/om2000426","","x-ray","0.71073","MoKα","","0.1225","0.0559","","","0.1315","0.1807","","","","","","1.065","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064320","10.5181","0.0002","30.2643","0.0005","17.1268","0.0003","90","","99.114","0.001","90","","5383.02","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ItBuAuBIANBF4","ItBuAuBIANBF4","","- C48 H62 Au B Cl2 F4 N4 -","- C48 H62 Au B Cl2 F4 N4 -","- C192 H248 Au4 B4 Cl8 F16 N16 -","4","1","","de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre","Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes","Organometallics","2011","30","8","2241","","10.1021/om2000426","","x-ray","0.71073","MoKα","","0.1044","0.0482","","","0.1052","0.1188","","","","","","0.936","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064321","16.6759","0.0006","17.8115","0.0007","19.6132","0.0007","90","","104.263","0.001","90","","5646","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","IMesAuBIANPF-6","","- C58 H66 Au Cl2 F6 N4 P -","- C58 H66 Au Cl2 F6 N4 P -","- C232 H264 Au4 Cl8 F24 N16 P4 -","4","1","","de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre","Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes","Organometallics","2011","30","8","2241","","10.1021/om2000426","","x-ray","0.71073","MoKα","","0.0561","0.0351","","","0.0801","0.0919","","","","","","1.035","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064322","9.2634","0.0001","22.7035","0.0003","26.5874","0.0004","90","","90","","90","","5591.64","0.13","173","2","173","2","","","","","","","","7","P b c 21","P 2c -2b","29","","PPh3AuBIANPF6","","- C56 H59 Au Cl4 F6 N2 P2 -","- C56 H59 Au Cl4 F6 N2 P2 -","- C224 H236 Au4 Cl16 F24 N8 P8 -","4","1","","de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre","Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes","Organometallics","2011","30","8","2241","","10.1021/om2000426","","x-ray","0.71073","MoKα","","0.0504","0.0401","","","0.0981","0.1127","","","","","","1.091","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064323","11.4458","0.0003","33.5904","0.0009","11.6845","0.0002","90","","110.341","0.001","90","","4212.19","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(IPrAu)2DABMes(PF6)2","","- C75 H98 Au2 Cl2 F12 N6 P2 -","- C75 H98 Au2 Cl2 F12 N6 P2 -","- C150 H196 Au4 Cl4 F24 N12 P4 -","2","1","","de Frémont, Pierre; Clavier, Hervé; Rosa, Vitor; Avilés, Teresa; Braunstein, Pierre","Synthesis, Characterization, and Reactivity of Cationic Gold(I) α-Diimine Complexes","Organometallics","2011","30","8","2241","","10.1021/om2000426","","x-ray","0.71073","MoKα","","0.0845","0.0528","","","0.1196","0.1344","","","","","","1.027","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064324","12.2917","0.0007","22.2862","0.0013","15.2764","0.0008","90","","113.465","0.001","90","","3838.7","0.4","173","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H108 K2 N4 O2 Si2 Sm -","- C80 H108 K2 N4 O2 Si2 Sm -","- C160 H216 K4 N8 O4 Si4 Sm2 -","2","0.5","","Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng","Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations","Organometallics","2011","30","8","2252","","10.1021/om200044j","","","0.71073","MoKα","","0.0619","0.037","","","0.0777","0.0863","","","","","","1.019","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4064325","12.308","0.0009","22.072","0.0015","15.1387","0.001","90","","113.384","0.001","90","","3774.8","0.5","173","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H108 K2 N4 O2 Si2 Yb -","- C80 H108 K2 N4 O2 Si2 Yb -","- C160 H216 K4 N8 O4 Si4 Yb2 -","2","0.5","","Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng","Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations","Organometallics","2011","30","8","2252","","10.1021/om200044j","","","0.71073","MoKα","","0.046","0.0326","","","0.0731","0.0781","","","","","","1.025","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4064326","13.8271","0.0007","20.2272","0.001","18.5263","0.001","90","","95.661","0.001","90","","5156.2","0.5","173","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H140 K2 N8 O4 Si2 Sm2 -","- C112 H140 K2 N8 O4 Si2 Sm2 -","- C224 H280 K4 N16 O8 Si4 Sm4 -","2","0.5","","Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng","Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations","Organometallics","2011","30","8","2252","","10.1021/om200044j","","","0.71073","MoKα","","0.0933","0.0601","","","0.1499","0.173","","","","","","1.065","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4064327","14.1516","0.0012","17.8697","0.0015","20.9102","0.0019","86.765","0.002","87.113","0.002","82.227","0.001","5226.1","0.8","173","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H132 N10 O3 Si Sm4 -","- C117 H132 N10 O3 Si Sm4 -","- C234 H264 N20 O6 Si2 Sm8 -","2","1","","Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng","Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations","Organometallics","2011","30","8","2252","","10.1021/om200044j","","","0.71073","MoKα","","0.0882","0.0544","","","0.1308","0.1562","","","","","","1.034","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064328","14.0691","0.0005","18.4893","0.0006","24.9718","0.0008","90","","92.12","0.001","90","","6491.4","0.4","173","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H80 K N4 Si Sm -","- C62 H80 K N4 Si Sm -","- C248 H320 K4 N16 Si4 Sm4 -","4","1","","Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng","Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations","Organometallics","2011","30","8","2252","","10.1021/om200044j","","","0.71073","MoKα","","0.0403","0.0302","","","0.0737","0.0772","","","","","","0.997","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064329","15.1405","0.0006","17.3825","0.0007","25.3515","0.001","90","","95.088","0.001","90","","6645.7","0.5","173","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H94 K N4 O Si Sm -","- C68 H94 K N4 O Si Sm -","- C272 H376 K4 N16 O4 Si4 Sm4 -","4","1","","Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng","Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations","Organometallics","2011","30","8","2252","","10.1021/om200044j","","","0.71073","MoKα","","0.0456","0.0358","","","0.1071","0.1163","","","","","","1.068","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064330","27.8688","0.0004","27.8688","0.0004","23.52","0.0007","90","","90","","90","","18267.3","0.7","173","2","273","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C96 H136 K N4 O6 Si2 Sm -","- C96 H134 K N4 O6 Si2 Sm -","- C768 H1072 K8 N32 O48 Si16 Sm8 -","8","1","","Pan, Cheng-Ling; Chen, Wan; Song, Jiangfeng","Lanthanide(II)−Alkali Sandwich Complexes with Cation−Arene π Interactions: Synthesis, Structure, and Solvent-Mediated Redox Transformations","Organometallics","2011","30","8","2252","","10.1021/om200044j","","","0.71073","MoKα","","0.0978","0.0506","","","0.1389","0.1735","","","","","","1.026","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064331","12.8071","0.0003","16.2825","0.0003","19.7307","0.0004","90","","90","","90","","4114.47","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cl O2 P -","- C26 H20 Cl O2 P -","- C208 H160 Cl8 O16 P8 -","8","1","","Selent, Detlef; Franke, Robert; Kubis, Christoph; Spannenberg, Anke; Baumann, Wolfgang; Kreidler, Burkard; Börner, Armin","A New Diphosphite Promoting Highly Regioselective Rhodium-Catalyzed Hydroformylation","Organometallics","2011","30","17","4509","","10.1021/om2000508","","","0.71073","MoKα","","0.0415","0.0321","","","0.0865","0.0892","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064332","22.4767","0.0004","30.9663","0.0006","23.2452","0.0005","90","","116.761","0.0013","90","","14446.2","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C77 H73 O8 P2 Rh -","- C77 H73 O8 P2 Rh -","- C616 H584 O64 P16 Rh8 -","8","1","","Selent, Detlef; Franke, Robert; Kubis, Christoph; Spannenberg, Anke; Baumann, Wolfgang; Kreidler, Burkard; Börner, Armin","A New Diphosphite Promoting Highly Regioselective Rhodium-Catalyzed Hydroformylation","Organometallics","2011","30","17","4509","","10.1021/om2000508","","","0.71073","MoKα","","0.0559","0.0303","","","0.0624","0.0657","","","","","","0.804","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064333","14.7064","0.0006","10.7257","0.0004","18.0072","0.0007","90","","92.959","0.002","90","","2836.6","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Br N2 O3 P Re -","- C31 H23 Br N2 O3 P Re -","- C124 H92 Br4 N8 O12 P4 Re4 -","4","1","","West, Nathan M.; Labinger, Jay A.; Bercaw, John E.","Heterobimetallic Complexes of Rhenium and Zinc: Potential Catalysts for Homogeneous Syngas Conversion","Organometallics","2011","30","10","2690","","10.1021/om200051u","","","0.71073","MoKα","","0.0452","0.0295","","","0.0426","0.0439","","","","","","1.523","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4064334","11.2751","0.0005","14.2689","0.0006","30.2884","0.0014","90","","98.082","0.002","90","","4824.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Br N2 O4 P Re -","- C26 H17 Br N2 O4 P Re -","- C208 H136 Br8 N16 O32 P8 Re8 -","8","2","","West, Nathan M.; Labinger, Jay A.; Bercaw, John E.","Heterobimetallic Complexes of Rhenium and Zinc: Potential Catalysts for Homogeneous Syngas Conversion","Organometallics","2011","30","10","2690","","10.1021/om200051u","","","0.71073","MoKα","","0.0544","0.0309","","","0.0398","0.0422","","","","","","1.326","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4064335","8.791","0.0005","11.3904","0.0007","13.8593","0.0008","81.394","0.004","79.674","0.004","87.302","0.004","1349.63","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H20 Cl2 N2 O4 P Re Zn -","- C27 H20 Cl2 N2 O4 P Re Zn -","- C54 H40 Cl4 N4 O8 P2 Re2 Zn2 -","2","1","","West, Nathan M.; Labinger, Jay A.; Bercaw, John E.","Heterobimetallic Complexes of Rhenium and Zinc: Potential Catalysts for Homogeneous Syngas Conversion","Organometallics","2011","30","10","2690","","10.1021/om200051u","","","0.71073","MoKα","","0.0407","0.028","","","0.0452","0.0466","","","","","","1.343","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4064336","8.9302","0.0004","10.5871","0.0004","16.0479","0.0006","96.985","0.002","94.55","0.002","109.583","0.002","1407.13","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H19 Cl3 N2 O4 P Re Zn -","- C27 H19 Cl3 N2 O4 P Re Zn -","- C54 H38 Cl6 N4 O8 P2 Re2 Zn2 -","2","1","","West, Nathan M.; Labinger, Jay A.; Bercaw, John E.","Heterobimetallic Complexes of Rhenium and Zinc: Potential Catalysts for Homogeneous Syngas Conversion","Organometallics","2011","30","10","2690","","10.1021/om200051u","","","0.71073","MoKα","","0.0367","0.0265","","","0.0405","0.0413","","","","","","1.47","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4064337","7.9703","0.0006","13.4554","0.001","11.388","0.0008","90","","92.521","0.001","90","","1220.11","0.15","148","2","148","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Fe N -","- C14 H19 Fe N -","- C56 H76 Fe4 N4 -","4","1","","Brunker, Tim J.; Roembke, Benjamin T.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structures of 1′,2′,3′,4′,5′-Pentamethylazaferrocene Complexes with Lewis Acidic Boranes","Organometallics","2011","30","8","2272","","10.1021/om200053p","","","0.71073","MoKα","","0.0358","0.0334","","","0.095","0.0978","","","","","","1.084","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064338","15.2204","0.0017","15.4221","0.0018","30.354","0.003","89.936","0.002","86.745","0.002","89.897","0.002","7113.5","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 B Fe N -","- C14 H22 B Fe N -","- C280 H440 B20 Fe20 N20 -","20","10","","Brunker, Tim J.; Roembke, Benjamin T.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structures of 1′,2′,3′,4′,5′-Pentamethylazaferrocene Complexes with Lewis Acidic Boranes","Organometallics","2011","30","8","2272","","10.1021/om200053p","","","0.71073","MoKα","","0.0596","0.0441","","","0.0846","0.092","","","","","","1.026","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064339","7.5409","0.0012","15.389","0.003","12.581","0.002","90","","95.792","0.002","90","","1452.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B F3 Fe N -","- C14 H19 B F3 Fe N -","- C56 H76 B4 F12 Fe4 N4 -","4","1","","Brunker, Tim J.; Roembke, Benjamin T.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structures of 1′,2′,3′,4′,5′-Pentamethylazaferrocene Complexes with Lewis Acidic Boranes","Organometallics","2011","30","8","2272","","10.1021/om200053p","","","0.71073","MoKα","","0.0287","0.0264","","","0.0712","0.0733","","","","","","1.071","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064340","9.4058","0.0008","12.2229","0.0011","15.9291","0.0014","96.162","0.001","104.968","0.001","96.359","0.001","1740.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H106 B4 Li2 N4 O2 -","- C69 H106 B4 Li2 N4 O2 -","- C69 H106 B4 Li2 N4 O2 -","1","0.5","","Wang, Yuzhong; Xie, Yaoming; Abraham, Mariham Y.; Wei, Pingrong; Schaefer, Henry F.; Schleyer, Paul v. R.; Robinson, Gregory H.","Anionic N-Heterocyclic Dicarbene−Borane Binuclear Complexes","Organometallics","2011","30","6","1303","","10.1021/om2000579","","","0.71073","MoKα","","0.1021","0.0577","","","0.1506","0.1773","","","","","","1.021","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064341","18.509","0.0017","16.5228","0.0015","24.285","0.002","90","","96.228","0.001","90","","7383","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H224 B8 Li4 N8 O12 -","- C132 H224 B8 Li4 N8 O12 -","- C264 H448 B16 Li8 N16 O24 -","2","0.5","","Wang, Yuzhong; Xie, Yaoming; Abraham, Mariham Y.; Wei, Pingrong; Schaefer, Henry F.; Schleyer, Paul v. R.; Robinson, Gregory H.","Anionic N-Heterocyclic Dicarbene−Borane Binuclear Complexes","Organometallics","2011","30","6","1303","","10.1021/om2000579","","","0.71073","MoKα","","0.2631","0.0828","","","0.1766","0.249","","","","","","1.068","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064342","10.798","0.006","22.113","0.012","20.838","0.011","90","","101.847","0.008","90","","4870","5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H77 B2 Li N2 O3 -","- C45 H77 B2 Li N2 O3 -","- C180 H308 B8 Li4 N8 O12 -","4","1","","Wang, Yuzhong; Xie, Yaoming; Abraham, Mariham Y.; Wei, Pingrong; Schaefer, Henry F.; Schleyer, Paul v. R.; Robinson, Gregory H.","Anionic N-Heterocyclic Dicarbene−Borane Binuclear Complexes","Organometallics","2011","30","6","1303","","10.1021/om2000579","","","0.71073","MoKα","","0.1346","0.0646","","","0.1724","0.2163","","","","","","1.02","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064343","10.5337","0.0002","15.8864","0.0004","17.3577","0.0003","66.569","0.001","87.337","0.001","71.001","0.001","2508.42","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 O8 Pd2 S4 -","- C42 H48 O8 Pd2 S4 -","- C84 H96 O16 Pd4 S8 -","2","1","","Mann, Sam E.; Aliev, Abil E.; Tizzard, Graham J.; Sheppard, Tom D.","Sulfur-Directed Olefin Oxidations: Observation of Divergent Reaction Mechanisms in the Palladium-Mediated Acetoxylation of Unsaturated Thioacetals","Organometallics","2011","30","7","1772","","10.1021/om2000585","","","0.71073","MoKα","","0.0782","0.0578","","","0.1311","0.1426","","","","","","1.038","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064344","18.4395","0.0012","6.9038","0.0004","23.017","0.002","90","","112.411","0.009","90","","2708.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 S4 Si -","- C32 H24 S4 Si -","- C128 H96 S16 Si4 -","4","1","","Mercier, Lauren G.; Furukawa, Shunsuke; Piers, Warren E.; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Parvez, Masood; Harrington, Ross W.; Clegg, William","Design, Synthesis, and Characterization of Functionalized Silepins: High Quantum Yield Blue Emitters","Organometallics","2011","30","6","1719","","10.1021/om2000597","","","1.54178","CuKα","","0.0549","0.0456","","","0.1294","0.1391","","","","","","1.086","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064345","22.7127","0.0008","22.7127","0.0008","10.0886","0.0004","90","","90","","90","","5204.4","0.3","173","2","173","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C35 H29 B -","- C35 H29 B -","- C280 H232 B8 -","8","1","","Mercier, Lauren G.; Furukawa, Shunsuke; Piers, Warren E.; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Parvez, Masood; Harrington, Ross W.; Clegg, William","Design, Synthesis, and Characterization of Functionalized Silepins: High Quantum Yield Blue Emitters","Organometallics","2011","30","6","1719","","10.1021/om2000597","","","1.54178","CuKα","","0.043","0.0336","","","0.0777","0.0826","","","","","","1.019","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064346","9.035","0.005","36.801","0.005","10.84","0.005","90","0.005","99.37","0.005","90","0.005","3556","3","223","2","223","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","6satMesHG2","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C152 H184 Cl8 N8 O4 Ru4 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes","Organometallics","2011","30","8","2278","","10.1021/om200061c","","","0.71069","MoKα","","0.0768","0.0624","","","0.1596","0.1766","","","","","","1.006","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064347","10.166","0.002","11.32","0.002","15.196","0.003","75.51","0.03","84.09","0.03","87.83","0.03","1684","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","6KetoMesHoveydaGrubbs2","","","- C34 H40 Cl2 N2 O3 Ru -","- C34 H40 Cl2 N2 O3 Ru -","- C68 H80 Cl4 N4 O6 Ru2 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes","Organometallics","2011","30","8","2278","","10.1021/om200061c","","","0.71073","MoKα","","0.0952","0.0577","","","0.0979","0.1114","","","","","","1.003","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064348","9.3797","0.0016","9.843","0.0016","19.455","0.003","77.608","0.004","84.921","0.004","82.834","0.005","1737.1","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","6-KetoMesG3","","","- C36 H39 Cl2 N3 O2 Ru -","- C36 H39 Cl2 N3 O2 Ru -","- C72 H78 Cl4 N6 O4 Ru2 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes","Organometallics","2011","30","8","2278","","10.1021/om200061c","","","0.71075","MoKα","","0.1295","0.0794","","","0.1701","0.1967","","","","","","1.006","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064349","11.7529","0.0001","9.4309","0.0001","26.6821","0.0002","90","","98.004","0.001","90","","2928.64","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6-KetoMes-IrCODCl","","","- C32 H40 Cl Ir N2 O2 -","- C32 H40 Cl Ir N2 O2 -","- C128 H160 Cl4 Ir4 N8 O8 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes","Organometallics","2011","30","8","2278","","10.1021/om200061c","","","0.71073","MoKα","","0.0162","0.0155","","","0.0426","0.0431","","","","","","1.006","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064350","14.801","0.003","8.9845","0.0018","19.229","0.004","90","","95.39","0.03","90","","2545.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6-KetoMes-IrCOCl","","","- C26 H28 Cl Ir N2 O4 -","- C26 H28 Cl Ir N2 O4 -","- C104 H112 Cl4 Ir4 N8 O16 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes","Organometallics","2011","30","8","2278","","10.1021/om200061c","","","0.71073","MoKα","","0.0269","0.021","","","0.0644","0.0808","","","","","","1.008","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064351","9.0949","0.0015","27.699","0.004","13.596","0.002","90","","93.338","0.004","90","","3419.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Cl2 Fe N3 -","- C37 H44 Cl2 Fe N3 -","- C148 H176 Cl8 Fe4 N12 -","4","1","","Appukuttan, Vinu Krishnan; Liu, Yinshan; Son, Bong Chul; Ha, Chang-Sik; Suh, Hongsuk; Kim, Il","Iron and Cobalt Complexes of 2,3,7,8-Tetrahydroacridine-4,5(1H,6H)-diimine Sterically Modulated by Substituted Aryl Rings for the Selective Oligomerization to Polymerization of Ethylene","Organometallics","2011","30","8","2285","","10.1021/om2000629","","","0.71073","MoKα","","0.1363","0.0767","","","0.1999","0.2328","","","","","","1.044","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064352","15.445","0.003","48.049","0.01","9.0603","0.0018","90","","90","","90","","6724","2","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C37 H47 Cl2 Co N3 -","- C37 H47 Cl2 Co N3 -","- C296 H376 Cl16 Co8 N24 -","8","0.5","","Appukuttan, Vinu Krishnan; Liu, Yinshan; Son, Bong Chul; Ha, Chang-Sik; Suh, Hongsuk; Kim, Il","Iron and Cobalt Complexes of 2,3,7,8-Tetrahydroacridine-4,5(1H,6H)-diimine Sterically Modulated by Substituted Aryl Rings for the Selective Oligomerization to Polymerization of Ethylene","Organometallics","2011","30","8","2285","","10.1021/om2000629","","","0.71073","MoKα","","0.1047","0.0499","","","0.0947","0.1394","","","","","","1.044","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064353","7.124","0.006","10.143","0.009","19.925","0.014","90","","93.94","0.03","90","","1436","2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I N2 O3 Ru -","- C13 H9 I N2 O3 Ru -","- C52 H36 I4 N8 O12 Ru4 -","4","1","","Zhang, Congying; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Reactions of Unsymmetrically Substituted N-Heterocyclic Carbenes with Ru3(CO)12","Organometallics","2011","30","11","3029","","10.1021/om2000647","","","0.7107","MoKα","","0.1688","0.0851","","","0.2061","0.2897","","","","","","0.718","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064354","14.133","0.003","9.1977","0.0018","22.062","0.004","90","","93.07","0.03","90","","2863.7","1","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 I N2 O3 Ru -","- C11 H13 I N2 O3 Ru -","- C88 H104 I8 N16 O24 Ru8 -","8","1","","Zhang, Congying; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Reactions of Unsymmetrically Substituted N-Heterocyclic Carbenes with Ru3(CO)12","Organometallics","2011","30","11","3029","","10.1021/om2000647","","","0.71073","MoKα","","0.0729","0.0654","","","0.2603","0.267","","","","","","1.195","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064355","8.791","0.005","13.011","0.008","15.004","0.008","88.28","0.02","75.691","0.015","87.41","0.02","1660.9","1.7","116","2","116","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N4 O8 Ru3 -","- C32 H26 N4 O8 Ru3 -","- C64 H52 N8 O16 Ru6 -","2","1","","Zhang, Congying; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Reactions of Unsymmetrically Substituted N-Heterocyclic Carbenes with Ru3(CO)12","Organometallics","2011","30","11","3029","","10.1021/om2000647","","","0.71073","MoKα","","0.084","0.0684","","","0.1636","0.1753","","","","","","1.003","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064356","9.072","0.002","17.853","0.004","23.241","0.005","73.353","0.007","85.268","0.007","89.581","0.009","3593.6","1.4","116","2","116","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 N2 O11 Ru4 -","- C19 H10 N2 O11 Ru4 -","- C114 H60 N12 O66 Ru24 -","6","3","","Zhang, Congying; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Reactions of Unsymmetrically Substituted N-Heterocyclic Carbenes with Ru3(CO)12","Organometallics","2011","30","11","3029","","10.1021/om2000647","","","0.71073","MoKα","","0.0578","0.056","","","0.1351","0.1379","","","","","","1.015","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064357","19.5678","0.0016","34.657","0.002","21.769","0.0017","90","","110.191","0.001","90","","13855.7","1.8","116","2","116","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H21 Cl3 N2 O11 Ru4 -","- C28.5 H21 Cl3 N2 O11 Ru4 -","- C456 H336 Cl48 N32 O176 Ru64 -","16","4","","Zhang, Congying; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Reactions of Unsymmetrically Substituted N-Heterocyclic Carbenes with Ru3(CO)12","Organometallics","2011","30","11","3029","","10.1021/om2000647","","","0.71073","MoKα","","0.0529","0.0452","","","0.1081","0.1177","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064358","15.3456","0.0013","9.3394","0.0008","16.8196","0.0014","90","","108.805","0.001","90","","2281.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 Fe N4 -","- C20 H38 Fe N4 -","- C80 H152 Fe4 N16 -","4","1","","Xiang, Li; Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation","Organometallics","2011","30","7","2018","","10.1021/om2000663","","","0.71073","MoKα","","0.0798","0.0622","","","0.1861","0.197","","","","","","0.997","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064359","10.2136","0.0013","13.2695","0.0017","12.6828","0.0015","90","","101.87","0.002","90","","1682.1","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H54 Fe N4 Si2 -","- C26 H54 Fe N4 Si2 -","- C52 H108 Fe2 N8 Si4 -","2","1","","Xiang, Li; Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation","Organometallics","2011","30","7","2018","","10.1021/om2000663","","","0.71073","MoKα","","0.0767","0.0508","","","0.0933","0.1016","","","","","","0.876","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064360","16.6389","0.0005","8.6518","0.0002","19.5164","0.0005","90","","90","","90","","2809.51","0.13","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H42 Fe N2 -","- C29 H42 Fe N2 -","- C116 H168 Fe4 N8 -","4","1","","Xiang, Li; Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation","Organometallics","2011","30","7","2018","","10.1021/om2000663","","","0.71073","MoKα","","0.046","0.0385","","","0.0934","0.1004","","","","","","1","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064361","13.0086","0.0011","10.2659","0.0008","19.2502","0.0013","90","","131.847","0.004","90","","1915","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Cl2 Fe2 N8 -","- C32 H54 Cl2 Fe2 N8 -","- C64 H108 Cl4 Fe4 N16 -","2","0.5","","Xiang, Li; Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation","Organometallics","2011","30","7","2018","","10.1021/om2000663","","","0.71073","MoKα","","0.072","0.0424","","","0.1098","0.1334","","","","","","0.957","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064362","12.7444","0.0012","13.5148","0.0012","12.7572","0.0012","90","","93.899","0.002","90","","2192.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 Fe2 N8 -","- C44 H64 Fe2 N8 -","- C88 H128 Fe4 N16 -","2","0.5","","Xiang, Li; Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation","Organometallics","2011","30","7","2018","","10.1021/om2000663","","","0.71073","MoKα","","0.0896","0.0624","","","0.1816","0.196","","","","","","1.045","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064363","18.3326","0.0017","9.4382","0.0009","21.3732","0.0019","90","","102.741","0.002","90","","3607.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Fe N4 -","- C36 H56 Fe N4 -","- C144 H224 Fe4 N16 -","4","1","","Xiang, Li; Xiao, Jie; Deng, Liang","Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation","Organometallics","2011","30","7","2018","","10.1021/om2000663","","","0.71073","MoKα","","0.1018","0.0544","","","0.1124","0.1356","","","","","","0.899","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064364","10.5725","0.0003","8.6665","0.0003","13.8325","0.0005","90","","98.0335","0.0013","90","","1254.99","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21 1","P 2yb","4","","Cp*Ti(NNPh2)Cl(py)","","- C27 H30 Cl N3 Ti -","- C27 H30 Cl N3 Ti -","- C54 H60 Cl2 N6 Ti2 -","2","1","","Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","New Sandwich and Half-Sandwich Titanium Hydrazido Compounds","Organometallics","2011","30","8","2295","","10.1021/om200068k","","","0.71073","MoKα","","0.0584","0.0371","","0.0576","0.0409","0.0409","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064365","10.0039","0.0002","17.9623","0.0005","15.4127","0.0004","90","","104.841","0.0013","90","","2677.16","0.12","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cp*2Ti2(u-NNMe2)2Cl2","","- C24 H42 Cl2 N4 Ti2 -","- C24 H42 Cl2 N4 Ti2 -","- C96 H168 Cl8 N16 Ti8 -","4","1","","Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","New Sandwich and Half-Sandwich Titanium Hydrazido Compounds","Organometallics","2011","30","8","2295","","10.1021/om200068k","","","0.71073","MoKα","","0.0476","0.037","","0.0493","0.043","0.043","","","","","","1.0926","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064366","8.8468","0.0002","11.4443","0.0003","15.3832","0.0004","90","","99.8273","0.001","90","","1534.63","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","Cp*Ti(NHNMe2)Cl2","","- C12 H22 Cl2 N2 Ti -","- C12 H22 Cl2 N2 Ti -","- C48 H88 Cl8 N8 Ti4 -","4","1","","Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","New Sandwich and Half-Sandwich Titanium Hydrazido Compounds","Organometallics","2011","30","8","2295","","10.1021/om200068k","","","0.71073","MoKα","","0.0557","0.0366","","0.0606","0.0434","0.0434","","","","","","1.0692","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064367","8.5361","0.0002","12.4404","0.0003","16.6363","0.0004","90","","95.9091","0.0013","90","","1757.26","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Cp*Ti(NHNMe2)2Cl","","- C14 H29 Cl N4 Ti -","- C14 H29 Cl N4 Ti -","- C56 H116 Cl4 N16 Ti4 -","4","1","","Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","New Sandwich and Half-Sandwich Titanium Hydrazido Compounds","Organometallics","2011","30","8","2295","","10.1021/om200068k","","","0.71073","MoKα","","0.0687","0.0392","","0.0744","0.0451","0.0451","","","","","","1.1111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064368","13.7241","0.0002","16.1437","0.0003","16.2439","0.0003","93.9986","0.0007","105.313","0.0008","104.262","0.0008","3329.03","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P -1","-P 1","2","","Cp*Ti(NNPh2)(NHNPh2)py","","- C39 H41 N5 Ti -","- C39 H41 N5 Ti -","- C156 H164 N20 Ti4 -","4","2","","Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","New Sandwich and Half-Sandwich Titanium Hydrazido Compounds","Organometallics","2011","30","8","2295","","10.1021/om200068k","","","0.71073","MoKα","","0.0991","0.05","","0.1032","0.0592","0.0592","","","","","","1.0916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064369","9.9483","0.0004","11.999","0.0005","13.5345","0.0006","74.7095","0.0017","70.4567","0.0017","73.849","0.002","1436.21","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","Cp*Ti(NNPh2)(NHtBu)py","","- C31 H40 N4 Ti -","- C31 H40 N4 Ti -","- C62 H80 N8 Ti2 -","2","1","","Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","New Sandwich and Half-Sandwich Titanium Hydrazido Compounds","Organometallics","2011","30","8","2295","","10.1021/om200068k","","","0.71073","MoKα","","0.1031","0.0692","","0.1099","0.0799","0.0799","","","","","","1.0742","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064370","29.3869","0.0002","16.5544","0.0001","36.718","0.0003","90","","101.174","0.0004","90","","17524.1","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cp2Ti(NNPh2)(py)","","- C27 H25 N3 Ti -","- C27 H25 N3 Ti -","- C864 H800 N96 Ti32 -","32","4","","Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","New Sandwich and Half-Sandwich Titanium Hydrazido Compounds","Organometallics","2011","30","8","2295","","10.1021/om200068k","","","0.71073","MoKα","","0.0933","0.0468","","0.0711","0.0547","0.0547","","","","","","1.0791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064371","8.7798","0.0001","10.3728","0.0001","27.0892","0.0003","90","","93.715","0.001","90","","2461.86","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","CpNHtBu)Ti(u-NNMe2)2TiCp(n1-Cp)","","- C23 H37 N5 Ti2 -","- C23 H37 N5 Ti2 -","- C92 H148 N20 Ti8 -","4","1","","Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","New Sandwich and Half-Sandwich Titanium Hydrazido Compounds","Organometallics","2011","30","8","2295","","10.1021/om200068k","","","0.71073","MoKα","","0.0533","0.0318","","0.0496","0.0344","0.0344","","","","","","1.0814","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064372","8.051","0.002","12.213","0.003","14.472","0.001","84.28","0.02","80.99","0.02","78.72","0.02","1374.8","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis(2',6'-dimethylphenyl)-4,5-dimethyl-2-diphenylphosphino- [1,3,2]diazaphospholene","","- C32 H34 N2 P2 -","- C32 H34 N2 P2 -","- C64 H68 N4 P4 -","2","1","","Förster, Daniela; Nieger, Martin; Gudat, Dietrich","Synthesis and Characterization of an Unsymmetrical 1,2-Diphosphinoethanide Complex","Organometallics","2011","30","9","2628","","10.1021/om200069t","","","0.71073","MoKα","","0.0511","0.0367","","","0.0861","0.0933","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064373","10.471","0.001","14.436","0.001","15.933","0.002","107.57","0.01","102.66","0.01","109.74","0.01","2018","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","Lithium[2-(1,3-bis-(2',6'-dimethylphenyl)[1,3,2]diazaphospholenyl-3- diphenylphosphino-1-cyanoethanide]dichloropalladium(II)","","- C41 H45 Cl2 Li N6 P2 Pd -","- C41 H45 Cl2 Li N6 P2 Pd -","- C82 H90 Cl4 Li2 N12 P4 Pd2 -","2","1","","Förster, Daniela; Nieger, Martin; Gudat, Dietrich","Synthesis and Characterization of an Unsymmetrical 1,2-Diphosphinoethanide Complex","Organometallics","2011","30","9","2628","","10.1021/om200069t","","","0.71073","MoKα","","0.1169","0.0696","","","0.1637","0.1911","","","","","","1.024","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064374","10.5959","0.0018","16.134","0.003","6.7528","0.001","90","","93.883","0.005","90","","1151.8","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Ag Cl N3 -","- C8 H15 Ag Cl N3 -","- C32 H60 Ag4 Cl4 N12 -","4","1","","Topf, Christoph; Hirtenlehner, Christa; Zabel, Manfred; List, Manuela; Fleck, Michel; Monkowius, Uwe","Synthesis and Characterization of Silver(I), Gold(I), and Gold(III) Complexes Bearing Amino-Functionalized N-Heterocyclic Carbenes","Organometallics","2011","30","10","2755","","10.1021/om2000713","","","0.71073","MoKα","","0.053","0.0318","","","0.0767","0.0872","","","","","","1.034","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064375","15.473","0.003","6.5724","0.0011","31.521","0.006","90","","103.777","0.005","90","","3113.3","1","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 Ag2 Cl2 N6 -","- C24 H46 Ag2 Cl2 N6 -","- C96 H184 Ag8 Cl8 N24 -","4","0.5","","Topf, Christoph; Hirtenlehner, Christa; Zabel, Manfred; List, Manuela; Fleck, Michel; Monkowius, Uwe","Synthesis and Characterization of Silver(I), Gold(I), and Gold(III) Complexes Bearing Amino-Functionalized N-Heterocyclic Carbenes","Organometallics","2011","30","10","2755","","10.1021/om2000713","","","0.71073","MoKα","","0.0571","0.0459","","","0.1056","0.1108","","","","","","1.094","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064376","8.1495","0.0011","13.855","0.002","13.0775","0.0019","90","","94.168","0.005","90","","1472.7","0.4","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 Au Br2.55 Cl0.45 N3 -","- C8 H15 Au Br2.55 Cl0.45 N3 -","- C32 H60 Au4 Br10.2 Cl1.8 N12 -","4","1","","Topf, Christoph; Hirtenlehner, Christa; Zabel, Manfred; List, Manuela; Fleck, Michel; Monkowius, Uwe","Synthesis and Characterization of Silver(I), Gold(I), and Gold(III) Complexes Bearing Amino-Functionalized N-Heterocyclic Carbenes","Organometallics","2011","30","10","2755","","10.1021/om2000713","","","0.71073","MoKα","","0.0556","0.0435","","","0.1031","0.1078","","","","","","1.163","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064377","10.6554","0.0011","26.78","0.003","13.8517","0.0017","90","","98.071","0.014","90","","3913.5","0.8","297","","297","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 Au Br2 Cl2 N3 -","- C12 H24 Au Br2 Cl2 N3 -","- C96 H192 Au8 Br16 Cl16 N24 -","8","1","","Topf, Christoph; Hirtenlehner, Christa; Zabel, Manfred; List, Manuela; Fleck, Michel; Monkowius, Uwe","Synthesis and Characterization of Silver(I), Gold(I), and Gold(III) Complexes Bearing Amino-Functionalized N-Heterocyclic Carbenes","Organometallics","2011","30","10","2755","","10.1021/om2000713","","","0.71073","MoKα","","0.074","0.0482","","","0.1254","0.1347","","","","","","0.927","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064378","8.8338","0.001","12.506","0.0015","25.395","0.003","90","","91.111","0.005","90","","2805","0.6","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H60 Ag10 Cl10 N12 -","- C32 H60 Ag10 Cl10 N12 -","- C64 H120 Ag20 Cl20 N24 -","2","0.5","","Topf, Christoph; Hirtenlehner, Christa; Zabel, Manfred; List, Manuela; Fleck, Michel; Monkowius, Uwe","Synthesis and Characterization of Silver(I), Gold(I), and Gold(III) Complexes Bearing Amino-Functionalized N-Heterocyclic Carbenes","Organometallics","2011","30","10","2755","","10.1021/om2000713","","","0.71073","MoKα","","0.0628","0.0346","","","0.0555","0.0611","","","","","","1.001","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064379","17.169","0.003","17.272","0.003","20.228","0.003","90","","98.088","0.002","90","","5938.8","1.7","116","2","116","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H17 O9 P Ru3 -","- C30 H17 O9 P Ru3 -","- C240 H136 O72 P8 Ru24 -","8","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71073","MoKα","","0.0448","0.0442","","","0.1154","0.1175","","","","","","0.77","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064380","18.744","0.008","9.235","0.004","20.328","0.008","90","","113.306","0.006","90","","3232","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 O9 P Ru3 -","- C30 H17 O9 P Ru3 -","- C120 H68 O36 P4 Ru12 -","4","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71073","MoKα","","0.0225","0.0207","","","0.0539","0.0545","","","","","","1.095","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064381","12.05","0.002","10.849","0.002","19.484","0.004","90","","99.56","0.03","90","","2511.8","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 O9 P Ru3 -","- C24 H11 O9 P Ru3 -","- C96 H44 O36 P4 Ru12 -","4","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71073","MoKα","","0.0364","0.0331","","","0.0749","0.0766","","","","","","1.005","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064382","9.612","0.005","11.728","0.006","15.382","0.007","102.577","0.006","97.249","0.007","108.782","0.005","1565.7","1.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H11 O11 P Ru4 -","- C26 H11 O11 P Ru4 -","- C52 H22 O22 P2 Ru8 -","2","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71073","MoKα","","0.031","0.025","","","0.0629","0.0641","","","","","","1.027","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064383","10.6366","0.0017","12.3945","0.0018","24.119","0.004","95.952","0.003","98.672","0.002","90.097","0.004","3126","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 O9 P Ru3 -","- C32 H21 O9 P Ru3 -","- C128 H84 O36 P4 Ru12 -","4","2","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71075","MoKα","","0.0347","0.0267","","","0.0561","0.0586","","","","","","0.965","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064384","10.207","0.001","15.679","0.0014","19.527","0.002","90","","104.427","0.005","90","","3026.5","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H15 O11 P Ru4 -","- C28 H15 O11 P Ru4 -","- C112 H60 O44 P4 Ru16 -","4","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71075","MoKα","","0.0385","0.0326","","","0.0695","0.0726","","","","","","1.132","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064385","8.8717","0.0008","10.0624","0.0009","16.657","0.0015","77.613","0.005","85.545","0.007","88.201","0.006","1447.8","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H15 O11 P Ru4 -","- C28 H15 O11 P Ru4 -","- C56 H30 O22 P2 Ru8 -","2","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71075","MoKα","","0.0316","0.0241","","","0.0441","0.0459","","","","","","1.007","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064386","11.529","0.002","18.246","0.004","14.917","0.003","90","","101.79","0.03","90","","3071.7","1.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 O8 P Ru3 -","- C32 H23 O8 P Ru3 -","- C128 H92 O32 P4 Ru12 -","4","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71073","MoKα","","0.0264","0.0237","","","0.0579","0.059","","","","","","1.095","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064387","9.6491","0.0019","9.951","0.002","15.95","0.003","86.84","0.03","79","0.03","66.39","0.03","1377.1","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 O6 P Ru3 -","- C30 H23 O6 P Ru3 -","- C60 H46 O12 P2 Ru6 -","2","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71073","MoKα","","0.0259","0.0231","","","0.058","0.0592","","","","","","1.069","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064388","17.663","0.007","16.873","0.006","20.306","0.007","90","","95.605","0.005","90","","6023","4","116","2","116","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 O9 P Ru3 -","- C31 H19 O9 P Ru3 -","- C248 H152 O72 P8 Ru24 -","8","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds","Organometallics","2011","30","8","2308","","10.1021/om200072g","","","0.71073","MoKα","","0.043","0.0422","","","0.1436","0.144","","","","","","1.138","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064389","9.2924","0.0007","12.4785","0.001","17.5116","0.0014","88.217","0.005","75.154","0.004","70.221","0.004","1843.5","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cl4 Ni O3 P2 -","- C40 H32 Cl4 Ni O3 P2 -","- C80 H64 Cl8 Ni2 O6 P4 -","2","1","","Ringenberg, Mark R.; Gray, Danielle L.; Rauchfuss, Thomas B.","Oxidative Addition of a Diphosphine Anhydride to Iron(0) and Nickel(0): A Simple Approach to Installing Four Ligands","Organometallics","2011","30","10","2885","","10.1021/om200073k","","","0.71073","MoKα","","0.0441","0.0331","","","0.0795","0.085","","","","","","0.987","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064390","17.3751","0.0011","19.2388","0.0013","23.6101","0.0015","90","","90","","90","","7892.3","0.9","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H32 Cl4 Fe O5 P2 -","- C42 H32 Cl4 Fe O5 P2 -","- C336 H256 Cl32 Fe8 O40 P16 -","8","1","","Ringenberg, Mark R.; Gray, Danielle L.; Rauchfuss, Thomas B.","Oxidative Addition of a Diphosphine Anhydride to Iron(0) and Nickel(0): A Simple Approach to Installing Four Ligands","Organometallics","2011","30","10","2885","","10.1021/om200073k","","","0.71073","MoKα","","0.0959","0.0462","","","0.0887","0.1068","","","","","","1.011","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064391","15.6244","0.0009","17.9336","0.0011","22.4793","0.0014","90","","98.069","0.004","90","","6236.4","0.7","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H28 B F15 Fe O5 P2 -","- C58 H28 B F15 Fe O5 P2 -","- C232 H112 B4 F60 Fe4 O20 P8 -","4","1","","Ringenberg, Mark R.; Gray, Danielle L.; Rauchfuss, Thomas B.","Oxidative Addition of a Diphosphine Anhydride to Iron(0) and Nickel(0): A Simple Approach to Installing Four Ligands","Organometallics","2011","30","10","2885","","10.1021/om200073k","","","0.71073","MoKα","","0.1312","0.0598","","","0.1079","0.1264","","","","","","0.894","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064392","18.842","0.006","25.205","0.012","17.491","0.009","90","","90","","90","","8307","6","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H41 Cl4 Ni O3 P3 -","- C41 H37 Ni O3 P3 -","- C328 H296 Ni8 O24 P24 -","8","2","","Ringenberg, Mark R.; Gray, Danielle L.; Rauchfuss, Thomas B.","Oxidative Addition of a Diphosphine Anhydride to Iron(0) and Nickel(0): A Simple Approach to Installing Four Ligands","Organometallics","2011","30","10","2885","","10.1021/om200073k","","","0.71073","MoKα","","0.064","0.0502","","","0.1061","0.1114","","","","","","1.04","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064393","16.1495","0.0004","17.5519","0.0003","17.2286","0.0003","90","","113.067","0.002","90","","4493.07","0.17","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H26 Cl3 I4 N6 O4 Re -","- C41 H26 Cl3 I4 N6 O4 Re -","- C164 H104 Cl12 I16 N24 O16 Re4 -","4","1","","Ko, Chi-Chiu; Siu, Jacky Wai-Kit; Cheung, Apple Wai-Yi; Yiu, Shek-Man","Synthesis, Characterization, and Photophysical and Emission Solvatochromic Study of Rhenium(I) Tetra(isocyano) Diimine Complexes","Organometallics","2011","30","10","2701","","10.1021/om200074t","","","0.71073","MoKα","","0.0474","0.0339","","","0.0894","0.0924","","","","","","1.097","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064394","14.2773","0.0002","17.1955","0.0002","18.9925","0.0003","90","","90","","90","","4662.76","0.11","133","2","133","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H16 Cl12 F6 N6 P Re -","- C40 H16 Cl12 F6 N6 P Re -","- C160 H64 Cl48 F24 N24 P4 Re4 -","4","1","","Ko, Chi-Chiu; Siu, Jacky Wai-Kit; Cheung, Apple Wai-Yi; Yiu, Shek-Man","Synthesis, Characterization, and Photophysical and Emission Solvatochromic Study of Rhenium(I) Tetra(isocyano) Diimine Complexes","Organometallics","2011","30","10","2701","","10.1021/om200074t","","","1.5418","CuKα","","0.0378","0.0355","","","0.0904","0.0922","","","","","","0.994","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064395","12.26435","0.00014","16.62923","0.00015","22.6489","0.0002","90","","90.3256","0.0009","90","","4619.09","0.08","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Br4 Cl4 F6 N6 P Re -","- C40 H28 Br4 Cl4 F5.96 N6 P Re -","- C160 H112 Br16 Cl16 F23.84 N24 P4 Re4 -","4","0.5","","Ko, Chi-Chiu; Siu, Jacky Wai-Kit; Cheung, Apple Wai-Yi; Yiu, Shek-Man","Synthesis, Characterization, and Photophysical and Emission Solvatochromic Study of Rhenium(I) Tetra(isocyano) Diimine Complexes","Organometallics","2011","30","10","2701","","10.1021/om200074t","","","1.54184","CuKα","","0.043","0.0424","","","0.1153","0.1159","","","","","","1.055","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064396","14.71954","0.00019","21.3547","0.0003","25.3961","0.0004","90","","93.2027","0.0012","90","","7970.3","0.2","133","2","133","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H25 Cl4 F6 N7 P Re -","- C37 H25 Cl4 F6 N7 P Re -","- C296 H200 Cl32 F48 N56 P8 Re8 -","8","1","","Ko, Chi-Chiu; Siu, Jacky Wai-Kit; Cheung, Apple Wai-Yi; Yiu, Shek-Man","Synthesis, Characterization, and Photophysical and Emission Solvatochromic Study of Rhenium(I) Tetra(isocyano) Diimine Complexes","Organometallics","2011","30","10","2701","","10.1021/om200074t","","","1.5418","CuKα","","0.035","0.0337","","","0.0925","0.0934","","","","","","1.073","","","","has coordinates,has disorder","178537","2020-10-21","18:00:00",""
"4064397","13.045","0.004","10.2333","0.0017","13.172","0.004","90","","103.52","0.03","90","","1709.6","0.8","160","2","160","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Mn O2 P -","- C18 H20 Mn O2 P -","- C72 H80 Mn4 O8 P4 -","4","1","","Valyaev, Dmitry A.; Lugan, Noël; Lavigne, Guy; Ustynyuk, Nikolai A.","Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations","Organometallics","2011","30","8","2318","","10.1021/om2000772","","x-ray","0.71073","MoKα","","0.0667","0.0467","","","0.1295","0.1466","","","","","","1.041","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064398","32.426","0.003","32.426","0.003","10.974","0.0008","90","","90","","120","","9992.7","1.5","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H20 Mn O2 P -","- C26 H20 Mn O2 P -","- C468 H360 Mn18 O36 P18 -","18","1","","Valyaev, Dmitry A.; Lugan, Noël; Lavigne, Guy; Ustynyuk, Nikolai A.","Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations","Organometallics","2011","30","8","2318","","10.1021/om2000772","","x-ray","0.71073","MoKα","","0.0679","0.0608","","","0.1759","0.1848","","","","","","1.075","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064399","8.2211","0.0003","18.6977","0.0006","16.4725","0.0005","90","","99.792","0.003","90","","2495.19","0.14","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Mn N2 O2 P -","- C26 H38 Mn N2 O2 P -","- C104 H152 Mn4 N8 O8 P4 -","4","1","","Valyaev, Dmitry A.; Lugan, Noël; Lavigne, Guy; Ustynyuk, Nikolai A.","Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations","Organometallics","2011","30","8","2318","","10.1021/om2000772","","x-ray","0.71073","MoKα","","0.0486","0.0347","","","0.093","0.0989","","","","","","0.968","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064400","32.4515","0.0005","7.56209","0.0001","8.37152","0.00011","90","","90","","90","","2054.38","0.05","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H24 Mn O2 P -","- C24 H24 Mn O2 P -","- C96 H96 Mn4 O8 P4 -","4","1","","Valyaev, Dmitry A.; Lugan, Noël; Lavigne, Guy; Ustynyuk, Nikolai A.","Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations","Organometallics","2011","30","8","2318","","10.1021/om2000772","","","0.71073","MoKα","","0.0642","0.0641","","","0.1169","0.117","","","","","","1.493","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064401","7.6076","0.0006","19.8671","0.0016","14.6109","0.0011","90","","99.522","0.004","90","","2177.9","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 I Mn O2 P -","- C23 H21 I Mn O2 P -","- C92 H84 I4 Mn4 O8 P4 -","4","1","","Valyaev, Dmitry A.; Lugan, Noël; Lavigne, Guy; Ustynyuk, Nikolai A.","Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations","Organometallics","2011","30","8","2318","","10.1021/om2000772","","x-ray","0.71073","MoKα","","0.0355","0.025","","","0.0482","0.0528","","","","","","1.144","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064402","10.441","0.002","17.943","0.004","8.157","0.0016","90","","103.6","0.03","90","","1485.3","0.6","198","2","198","2","","","101.3","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C11 H14 Br K N4 O2 Pt -","- C11 H14 Br K N4 O2 Pt -","- C44 H56 Br4 K4 N16 O8 Pt4 -","4","0.5","","Meyer, Anke; Unger, Yvonne; Poethig, Alexander; Strassner, Thomas","Platinum(II) Complexes with Tetradentate Dianionic (O∧C*∧C*∧O)-Ligands","Organometallics","2011","30","11","2980","","10.1021/om200078h","","","0.71073","MoKα","","0.029","0.0278","","","0.0717","0.0727","","","","","","1.192","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064403","8.602","0.001","8.869","0.0005","13.308","0.0009","105.28","0.005","94.791","0.006","93.548","0.008","972.25","0.14","198","2","198","2","","","101.3","","","","","7","P -1","-P 1","2","","","","- C13 H22 Br2 N4 O3 Pt S -","- C13 H22 Br2 N4 O3 Pt S -","- C26 H44 Br4 N8 O6 Pt2 S2 -","2","1","","Meyer, Anke; Unger, Yvonne; Poethig, Alexander; Strassner, Thomas","Platinum(II) Complexes with Tetradentate Dianionic (O∧C*∧C*∧O)-Ligands","Organometallics","2011","30","11","2980","","10.1021/om200078h","","","0.71073","MoKα","","0.0188","0.0164","","","0.0393","0.0398","","","","","","1.224","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064404","15.643","0.0011","20.6125","0.0015","16.0619","0.0012","90","","107.075","0.002","90","","4950.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Mes[CNH]Ru(CHPh)(PCy3)Cl2","","","- C49 H70 Cl4 N3 P Ru -","- C49 H70 Cl4 N3 P Ru -","- C196 H280 Cl16 N12 P4 Ru4 -","4","1","","Jong, Howard; Patrick, Brian O.; Fryzuk, Michael D.","Coordination Chemistry of a Hemilabile Amino-Tethered N-Heterocyclic Carbene with Ruthenium(II)","Organometallics","2011","30","8","2333","","10.1021/om2000844","","","0.71073","MoKα","","0.0592","0.0359","","","0.078","0.088","","","","","","1.035","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064405","14.3483","0.0016","11.9147","0.0014","19.481","0.002","90","","105.065","0.005","90","","3215.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mes[CNH]Ru(CHPh)(py)Cl2","","","- C35 H39 Cl2 N4 Ru -","- C35 H39 Cl2 N4 Ru -","- C140 H156 Cl8 N16 Ru4 -","4","1","","Jong, Howard; Patrick, Brian O.; Fryzuk, Michael D.","Coordination Chemistry of a Hemilabile Amino-Tethered N-Heterocyclic Carbene with Ruthenium(II)","Organometallics","2011","30","8","2333","","10.1021/om2000844","","","0.71073","MoKα","","0.0367","0.0239","","","0.0534","0.0587","","","","","","1.036","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064406","14.3005","0.0003","17.1993","0.0004","13.4452","0.0003","90","","104.821","0.001","90","","3196.94","0.12","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Mes[CNH]Ru(CHPh)(PMe3)Cl2","","","- C33 H44 Cl2 N3 P Ru -","- C33 H44 Cl2 N3 P Ru -","- C132 H176 Cl8 N12 P4 Ru4 -","4","1","","Jong, Howard; Patrick, Brian O.; Fryzuk, Michael D.","Coordination Chemistry of a Hemilabile Amino-Tethered N-Heterocyclic Carbene with Ruthenium(II)","Organometallics","2011","30","8","2333","","10.1021/om2000844","","","0.71073","MoKα","","0.033","0.0246","","","0.0558","0.0589","","","","","","1.027","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064407","11.0737","0.0003","19.724","0.0005","16.2785","0.0003","90","","102.175","0.0007","90","","3475.55","0.14","153.1","","153.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 Cl2 N4 V -","- C35 H45 Cl2 N4 V -","- C140 H180 Cl8 N16 V4 -","4","1","","Zhang, Shu; Tamm, Matthias; Nomura, Kotohiro","1,2-C−H Activation of Benzene Promoted by (Arylimido)vanadium(V)-Alkylidene Complexes: Isolation of the Alkylidene, Benzyne Complexes","Organometallics","2011","30","10","2712","","10.1021/om200086n","","","0.71075","MoKα","","","0.0314","","","","0.085","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064408","10.36979","0.00019","20","0.0004","20.5746","0.0004","90","","90.5307","0.0007","90","","4266.9","0.14","123.1","","123.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 D6 N4 Si V -","- C45 H61 N4 Si V -","- C180 H244 N16 Si4 V4 -","4","1","","Zhang, Shu; Tamm, Matthias; Nomura, Kotohiro","1,2-C−H Activation of Benzene Promoted by (Arylimido)vanadium(V)-Alkylidene Complexes: Isolation of the Alkylidene, Benzyne Complexes","Organometallics","2011","30","10","2712","","10.1021/om200086n","","","0.71075","MoKα","","","0.0447","","","","0.1231","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064409","10.8465","0.0006","31.7137","0.0016","12.47","0.0006","90","","93.0437","0.0016","90","","4283.4","0.4","123.1","","123.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 N4 P Si V -","- C42 H64 N4 P Si V -","- C168 H256 N16 P4 Si4 V4 -","4","1","","Zhang, Shu; Tamm, Matthias; Nomura, Kotohiro","1,2-C−H Activation of Benzene Promoted by (Arylimido)vanadium(V)-Alkylidene Complexes: Isolation of the Alkylidene, Benzyne Complexes","Organometallics","2011","30","10","2712","","10.1021/om200086n","","","0.71075","MoKα","","","0.0743","","","","0.1925","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064410","12.1647","0.0002","17.0744","0.0003","20.4062","0.0004","90","","101.019","0.0007","90","","4160.33","0.13","123.1","","123.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N4 P V -","- C44 H58 N4 P V -","- C176 H232 N16 P4 V4 -","4","1","","Zhang, Shu; Tamm, Matthias; Nomura, Kotohiro","1,2-C−H Activation of Benzene Promoted by (Arylimido)vanadium(V)-Alkylidene Complexes: Isolation of the Alkylidene, Benzyne Complexes","Organometallics","2011","30","10","2712","","10.1021/om200086n","","","0.71075","MoKα","","","0.0356","","","","0.0973","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064411","17.1089","0.0007","18.8373","0.0006","23.2591","0.0009","90","","90","","90","","7496.1","0.5","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Cl N4 Ni -","- C42 H48 Cl N4 Ni -","- C336 H384 Cl8 N32 Ni8 -","8","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.1085","0.0506","","","0.0936","0.1088","","","","","","1.02","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064412","17.2771","0.0003","18.782","0.0003","23.4238","0.0005","90","","90","","90","","7601","0.2","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Br N4 Ni -","- C42 H48 Br N4 Ni -","- C336 H384 Br8 N32 Ni8 -","8","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.1301","0.0594","","","0.13","0.1595","","","","","","1.02","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064413","17.7237","0.0002","18.561","0.0002","23.7208","0.0004","90","","90","","90","","7803.42","0.18","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Cl0.13 I N4 Ni -","- C42 H48 Cl0.13 I N4 Ni -","- C336 H384 Cl1.04 I8 N32 Ni8 -","8","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.0752","0.0425","","","0.0852","0.0944","","","","","","1.032","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064414","8.7324","0.0003","9.6551","0.0004","17.4439","0.0007","99.505","0.0017","95.82","0.003","114.465","0.002","1296.47","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C49 H71 Br2 F6 N8 Ni2 O -","- C49 H71 Br2 F6 N8 Ni2 O -","- C49 H71 Br2 F6 N8 Ni2 O -","1","0.5","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.0589","0.0418","","","0.0949","0.1023","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064415","9.0195","0.0001","27.5695","0.0004","9.478","0.0001","90","","112.043","0.0009","90","","2184.55","0.05","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H31 Br N4 Ni O -","- C21 H31 Br N4 Ni O -","- C84 H124 Br4 N16 Ni4 O4 -","4","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.0392","0.0296","","","0.072","0.0756","","","","","","1.042","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064416","9.965","0.0001","32.0257","0.0004","12.1774","0.0002","90","","99.971","0.001","90","","3827.55","0.09","183","2","183","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Acetonitrile-dibromo-(1,1'-bis(diphenylphosphino)ferrocene-P,P')-nitrosyl-rhenium(I) tetrahydrofuran monosolvate","","- C40 H39 Br2 Fe N2 O2 P2 Re -","- C40 H39 Br2 Fe N2 O2 P2 Re -","- C160 H156 Br8 Fe4 N8 O8 P8 Re4 -","4","1","","Dudle, Balz; Rajesh, Kunjanpillai; Blacque, Olivier; Berke, Heinz","Rhenium Nitrosyl Complexes Bearing Large-Bite-Angle Diphosphines","Organometallics","2011","30","11","2986","","10.1021/om200092y","","","0.71073","MoKα","","0.0544","0.0316","","","0.0602","0.0637","","","","","","0.934","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064417","44.9814","0.0005","44.9814","0.0005","11.4942","0.0001","90","","90","","120","","20140.7","0.4","183","2","183","2","","","","","","","","8","R -3 :H","-R 3","148","","Acetonitrile-dibromo-(2,2'-bis(diphenylphosphino)diphenylether-P,P')-nitrosyl-rhenium(I) dichloromethane tetrahydrofuran solvate","","- C80.33 H70.67 Br4 Cl0.67 N4 O5 P4 Re2 -","- C80.34 H70.68 Br4 Cl0.68 N4 O5 P4 Re2 -","- C723.06 H636.12 Br36 Cl6.12 N36 O45 P36 Re18 -","9","0.5","","Dudle, Balz; Rajesh, Kunjanpillai; Blacque, Olivier; Berke, Heinz","Rhenium Nitrosyl Complexes Bearing Large-Bite-Angle Diphosphines","Organometallics","2011","30","11","2986","","10.1021/om200092y","","","0.71073","MoKα","","0.0422","0.0303","","","0.0962","0.098","","","","","","1.12","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064418","11.2933","0.0002","27.3351","0.0004","14.7027","0.0002","90","","92.782","0.002","90","","4533.43","0.12","183","2","183","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","Acetonitrile-dibromo-(9,9-dimethyl-4,5-bis(diphenylphosphino)-9-silaxanthene-P,P')-nitrosyl-rhenium(I) dichloromethane solvate","","- C42 H39 Br2 Cl4 N2 O2 P2 Re Si -","- C42 H39 Br2 Cl4 N2 O2 P2 Re Si -","- C168 H156 Br8 Cl16 N8 O8 P8 Re4 Si4 -","4","1","","Dudle, Balz; Rajesh, Kunjanpillai; Blacque, Olivier; Berke, Heinz","Rhenium Nitrosyl Complexes Bearing Large-Bite-Angle Diphosphines","Organometallics","2011","30","11","2986","","10.1021/om200092y","","","0.71073","MoKα","","0.061","0.032","","","0.047","0.05","","","","","","0.85","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064419","11.0458","0.0003","12.3739","0.0004","13.1814","0.0005","84.95","0.003","68.289","0.003","74.162","0.003","1610.11","0.1","183","2","183","2","","","","","","","","9","P -1","-P 1","2","","Bis[(μ~2~-bromo)-bromo-(1,1'-bis(diisopropylphosphino)ferrocene-P,P')-nitrosyl-rhenium(I)] dichloromethane solvate","","- C48 H80 Br4 Cl8 Fe2 N2 O2 P4 Re2 -","- C48 H80 Br4 Cl8 Fe2 N2 O2 P4 Re2 -","- C48 H80 Br4 Cl8 Fe2 N2 O2 P4 Re2 -","1","0.5","","Dudle, Balz; Rajesh, Kunjanpillai; Blacque, Olivier; Berke, Heinz","Rhenium Nitrosyl Complexes Bearing Large-Bite-Angle Diphosphines","Organometallics","2011","30","11","2986","","10.1021/om200092y","","","0.71073","MoKα","","0.0425","0.0295","","","0.0579","0.0597","","","","","","0.901","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064420","9.0686","0.0003","9.7069","0.0002","17.3971","0.0005","80.684","0.002","82.148","0.003","85.39","0.002","1494.4","0.07","183","2","183","2","","","","","","","","9","P -1","-P 1","2","","Bromo-dihydrido-(1,1'-bis(diisopropylphosphino)ferrocene-P,P')-nitrosyl-trimethylsilyl-rhenium(I)","","- C25 H47 Br Fe N O P2 Re Si -","- C25 H47 Br Fe N O P2 Re Si -","- C50 H94 Br2 Fe2 N2 O2 P4 Re2 Si2 -","2","1","","Dudle, Balz; Rajesh, Kunjanpillai; Blacque, Olivier; Berke, Heinz","Rhenium Nitrosyl Complexes Bearing Large-Bite-Angle Diphosphines","Organometallics","2011","30","11","2986","","10.1021/om200092y","","","0.71073","MoKα","","0.0374","0.0282","","","0.0594","0.0607","","","","","","0.994","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064421","8.8694","0.0001","9.7012","0.0002","17.26","0.0003","79.778","0.002","82.725","0.001","84.055","0.001","1444.77","0.04","183","2","183","2","","","","","","","","9","P -1","-P 1","2","","Chloro-dihydrido-(1,1'-bis(diisopropylphosphino)ferrocene-P,P')-nitrosyl-trichlorosilyl-rhenium(I)","","- C22 H38 Cl4 Fe N O P2 Re Si -","- C22 H38 Cl4 Fe N O P2 Re Si -","- C44 H76 Cl8 Fe2 N2 O2 P4 Re2 Si2 -","2","1","","Dudle, Balz; Rajesh, Kunjanpillai; Blacque, Olivier; Berke, Heinz","Rhenium Nitrosyl Complexes Bearing Large-Bite-Angle Diphosphines","Organometallics","2011","30","11","2986","","10.1021/om200092y","","","0.71073","MoKα","","0.0237","0.0203","","","0.0463","0.047","","","","","","1.046","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064422","8.358","0.004","8.738","0.004","12.857","0.006","90","","90.518","0.004","90","","938.9","0.8","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 I4 O4 U -","- C8 H16 I4 O4 U -","- C16 H32 I8 O8 U2 -","2","0.5","","Monreal, Marisa J.; Thomson, Robert K.; Cantat, Thibault; Travia, Nicholas E.; Scott, Brian L.; Kiplinger, Jaqueline L.","UI4(1,4-dioxane)2, [UCl4(1,4-dioxane)]2, and UI3(1,4-dioxane)1.5: Stable and Versatile Starting Materials for Low- and High-Valent Uranium Chemistry","Organometallics","2011","30","7","2031","","10.1021/om200093q","","","0.71073","MoKα","","0.0471","0.032","","","0.0979","0.1104","","","","","","1.106","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064423","9.5951","0.0008","11.906","0.001","13.2587","0.0009","112.688","0.002","96.721","0.003","104.982","0.003","1309.43","0.18","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 I2 In P -","- C25 H26 I2 In P -","- C50 H52 I4 In2 P2 -","2","1","","Kiyokawa, Kensuke; Yasuda, Makoto; Baba, Akio","Substituted Butenylindium Generated by Transmetalation of Cyclopropylmethylstannane with Indium Iodide: Synthesis and Characterization of Monobutenylindium","Organometallics","2011","30","7","2039","","10.1021/om200094m","","","0.71075","MoKα","","","0.0463","","","","0.0532","","","","","","1.011","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064424","7.833","0.0002","15.3408","0.0004","18.8882","0.0004","90","","90","","90","","2269.69","0.1","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Cl N O5 Ru S4 -","- C19 H26 Cl N O5 Ru S4 -","- C76 H104 Cl4 N4 O20 Ru4 S16 -","4","1","","Chan, Siu-Chung; Pat, Pak-Kei; Lau, Tai-Chu; Wong, Chun-Yuen","Facile Direct Insertion of Nitrosonium Ion (NO+) into a Ruthenium−Aryl Bond","Organometallics","2011","30","6","1311","","10.1021/om200095v","","","1.54178","CuKα","","0.0246","0.0245","","","0.0644","0.0645","","","","","","1.054","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064425","28.57","0.0009","10.1893","0.0002","22.0909","0.0006","90","","117.223","0.004","90","","5718.5","0.3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 F6 N2 P Ru S3 -","- C22 H29 F6 N2 P Ru S3 -","- C176 H232 F48 N16 P8 Ru8 S24 -","8","1","","Chan, Siu-Chung; Pat, Pak-Kei; Lau, Tai-Chu; Wong, Chun-Yuen","Facile Direct Insertion of Nitrosonium Ion (NO+) into a Ruthenium−Aryl Bond","Organometallics","2011","30","6","1311","","10.1021/om200095v","","","0.71073","MoKα","","0.0287","0.0223","","","0.0641","0.0652","","","","","","1.06","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064426","11.2746","0.0004","23.4416","0.0006","12.5948","0.0004","90","","116.068","0.004","90","","2990.12","0.19","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 F12 N4 O P2 Ru S3 -","- C21 H26 F12 N4 O P2 Ru S3 -","- C84 H104 F48 N16 O4 P8 Ru4 S12 -","4","1","","Chan, Siu-Chung; Pat, Pak-Kei; Lau, Tai-Chu; Wong, Chun-Yuen","Facile Direct Insertion of Nitrosonium Ion (NO+) into a Ruthenium−Aryl Bond","Organometallics","2011","30","6","1311","","10.1021/om200095v","","","0.71073","MoKα","","0.0379","0.0308","","","0.062","0.0635","","","","","","1.177","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064427","15.754","0.004","17.657","0.005","18.402","0.004","90","","91.871","0.001","90","","5116","2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H58 O4 Si2 W2 -","- C57 H50 O4 Si2 W2 -","- C228 H200 O16 Si8 W8 -","4","1","","Sakaba, Hiroyuki; Oike, Hiroyuki; Kawai, Masaaki; Takami, Masato; Kabuto, Chizuko; Ray, Mausumi; Nakao, Yoshihide; Sato, Hirofumi; Sakaki, Shigeyoshi","Synthesis, Structure, and Bonding Nature of Ethynediyl-Bridged Bis(silylene) Dinuclear Complexes of Tungsten and Molybdenum","Organometallics","2011","30","17","4515","","10.1021/om200096z","","","0.7107","MoKα","","0.0503","0.0292","","","0.0588","0.0672","","","","","","0.822","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064428","15.703","0.004","17.614","0.004","18.481","0.005","90","","92.015","0.001","90","","5109","2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H58 Mo2 O4 Si2 -","- C57 H50 Mo2 O4 Si2 -","- C228 H200 Mo8 O16 Si8 -","4","1","","Sakaba, Hiroyuki; Oike, Hiroyuki; Kawai, Masaaki; Takami, Masato; Kabuto, Chizuko; Ray, Mausumi; Nakao, Yoshihide; Sato, Hirofumi; Sakaki, Shigeyoshi","Synthesis, Structure, and Bonding Nature of Ethynediyl-Bridged Bis(silylene) Dinuclear Complexes of Tungsten and Molybdenum","Organometallics","2011","30","17","4515","","10.1021/om200096z","","","0.7107","MoKα","","","0.0601","","","","0.1397","","","","","","0.875","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064429","11.4748","0.0005","15.2374","0.0004","17.9504","0.0007","90","","98.103","0.003","90","","3107.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 Al2 Cl4 Cr2 N4 P4 -","- C56 H78 Al2 Cl4 Cr2 N4 P4 -","- C112 H156 Al4 Cl8 Cr4 N8 P8 -","2","0.5","","Peitz, Stephan; Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Drexler, Hans-Joachim; Rosenthal, Uwe; Al-Hazmi, Mohammed H.; Al-Eidan, Khalid E.; Wöhl, Anina; Müller, Wolfgang","Heterobimetallic Al−Cl−Cr Intermediates with Relevance to the Selective Catalytic Ethene Trimerization Systems Consisting of CrCl3(THF)3, the Aminophosphorus Ligands Ph2PN(R)P(Ph)N(R)H, and Triethylaluminum","Organometallics","2011","30","8","2364","","10.1021/om200100g","","","0.71073","MoKα","","0.0851","0.0534","","","0.1315","0.1407","","","","","","0.946","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064430","16.081","0.003","10.768","0.002","23.126","0.005","90","","91.66","0.03","90","","4002.8","1.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H106 Al2 Cl4 Cr2 N4 P4 -","- C76 H106 Al2 Cl4 Cr2 N4 P4 -","- C152 H212 Al4 Cl8 Cr4 N8 P8 -","2","0.5","","Peitz, Stephan; Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Drexler, Hans-Joachim; Rosenthal, Uwe; Al-Hazmi, Mohammed H.; Al-Eidan, Khalid E.; Wöhl, Anina; Müller, Wolfgang","Heterobimetallic Al−Cl−Cr Intermediates with Relevance to the Selective Catalytic Ethene Trimerization Systems Consisting of CrCl3(THF)3, the Aminophosphorus Ligands Ph2PN(R)P(Ph)N(R)H, and Triethylaluminum","Organometallics","2011","30","8","2364","","10.1021/om200100g","","","0.71073","MoKα","","0.0772","0.0399","","","0.0864","0.0928","","","","","","0.814","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064431","10.601","0.002","15.658","0.003","27.998","0.006","73.9","0.03","86.2","0.03","79.93","0.03","4395.6","1.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H70 Al2 Cl4 Cr2 N4 P4 -","- C52 H70 Al2 Cl4 Cr2 N4 P4 -","- C104 H140 Al4 Cl8 Cr4 N8 P8 -","2","1","","Peitz, Stephan; Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Drexler, Hans-Joachim; Rosenthal, Uwe; Al-Hazmi, Mohammed H.; Al-Eidan, Khalid E.; Wöhl, Anina; Müller, Wolfgang","Heterobimetallic Al−Cl−Cr Intermediates with Relevance to the Selective Catalytic Ethene Trimerization Systems Consisting of CrCl3(THF)3, the Aminophosphorus Ligands Ph2PN(R)P(Ph)N(R)H, and Triethylaluminum","Organometallics","2011","30","8","2364","","10.1021/om200100g","","","0.71073","MoKα","","0.115","0.0637","","","0.1355","0.1448","","","","","","0.813","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064432","8.6281","0.0017","28.265","0.003","9.2586","0.0018","90","","115.094","0.014","90","","2044.8","0.6","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Cl2 N2 Si Ti -","- C16 H30 Cl2 N2 Si Ti -","- C64 H120 Cl8 N8 Si4 Ti4 -","4","1","","Paniagua, Cristina; Mosquera, Marta E. G.; Cuenca, Tomás; Jiménez, Gerardo","Reactions of [Ti(η5-C5Me4SiMe2Cl)Cl3] with Diamines, a Suitable Approach to Prepare Mono- and Dinuclear Cyclopentadienyl-silyl-amido Titanium Complexes with Constrained and Unstrained Structures","Organometallics","2011","30","11","2993","","10.1021/om200101k","","x-ray","0.71073","MoKα","","0.0799","0.0569","","","0.1266","0.1389","","","","","","1.06","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064433","10.4283","0.0006","15.1729","0.0009","19.7512","0.0011","101.039","0.001","90.527","0.001","108.318","0.001","2903.8","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-1,4-isopropyl- 2-(catecoholboryl)-2-disilene","","- C40 H95 B O2 Si12 -","- C40 H95 B O2 Si12 -","- C80 H190 B2 O4 Si24 -","2","1","","Takeuchi, Katsuhiko; Ichinohe, Masaaki; Sekiguchi, Akira","Hydroboration of Disilyne RSi≡SiR (R = SiiPr[CH(SiMe3)2]2), Giving Boryl-Substituted Disilenes","Organometallics","2011","30","7","2044","","10.1021/om200106h","","","0.71073","MoKα","","0.1104","0.0522","","","0.1114","0.1436","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064434","17.03","0.004","15.802","0.004","28.816","0.007","90","","90","","90","","7755","3","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C79 H90 Cl10 N4 Ru4 -","- C79 H90 Cl10 N4 Ru4 -","- C316 H360 Cl40 N16 Ru16 -","4","1","","Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis and Catalytic Evaluation in Olefin Metathesis of a Second-Generation Homobimetallic Ruthenium‒Arene Complex Bearing a Vinylidene Ligand","Organometallics","2011","30","10","2730","","10.1021/om2001074","","x-ray","0.7107","MoKα","","0.0459","0.0359","","","0.081","0.0863","","","","","","1.037","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064435","18.424","0.002","14.331","0.002","27.579","0.004","90","","109.228","0.005","90","","6875.6","1.6","100","2","100","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C32.25 H38.5 Cl4.5 N2 O Ru2 -","- C32.25 H38.5 Cl4.5 N2 O Ru2 -","- C258 H308 Cl36 N16 O8 Ru16 -","8","1","","Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis and Catalytic Evaluation in Olefin Metathesis of a Second-Generation Homobimetallic Ruthenium‒Arene Complex Bearing a Vinylidene Ligand","Organometallics","2011","30","10","2730","","10.1021/om2001074","","x-ray","0.7107","MoKα","","0.1272","0.0649","","","0.147","0.182","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064436","8.8048","0.0001","15.4284","0.0001","17.3768","0.0001","90","","102.304","0.001","90","","2306.31","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 N3 O9 Ru3 -","- C19 H11 N3 O9 Ru3 -","- C76 H44 N12 O36 Ru12 -","4","1","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo","Different Reactivities of Pyrid-2-yl- and 6-Picol-2-yl-Functionalized NHC Ligands with [Ru3(CO)12]: C(sp2)−H and Double C(sp3)−H Bond Activation Reactions","Organometallics","2011","30","8","2371","","10.1021/om200109n","","","1.54178","CuKα","","0.0244","0.0195","","","0.05","0.0554","","","","","","1.079","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064437","8.1791","0.0004","9.3974","0.0005","16.4527","0.0008","88.078","0.004","82.035","0.004","86.473","0.004","1249.62","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H17 N3 O8 Ru3 -","- C22.5 H17 N3 O8 Ru3 -","- C45 H34 N6 O16 Ru6 -","2","1","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo","Different Reactivities of Pyrid-2-yl- and 6-Picol-2-yl-Functionalized NHC Ligands with [Ru3(CO)12]: C(sp2)−H and Double C(sp3)−H Bond Activation Reactions","Organometallics","2011","30","8","2371","","10.1021/om200109n","","","1.5418","CuKα","","0.0648","0.0574","","","0.1421","0.1477","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064438","9.4487","0.0019","10.408","0.002","16.144","0.003","84.1","0.03","73.53","0.03","79.76","0.03","1495.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cl2 Cr N4 O2 -","- C28 H27 Cl2 Cr N4 O2 -","- C56 H54 Cl4 Cr2 N8 O4 -","2","1","","Wang, Deligeer; Liu, Shaofeng; Zeng, Yanning; Sun, Wen-Hua; Redshaw, Carl","2-Benzimidazolyl-N-phenylquinoline-8-carboxamide Chromium(III) Trichlorides: Synthesis and Application for Ethylene Oligomerization and Polymerization","Organometallics","2011","30","11","3001","","10.1021/om2001124","","","0.71073","MoKα","","0.1253","0.0964","","","0.2599","0.2783","","","","","","1.041","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064439","8.7764","0.0018","20.349","0.004","21.05","0.004","90","","92.29","0.03","90","","3756.3","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl3 Cr N5 O2 -","- C28 H27 Cl3 Cr N5 O2 -","- C112 H108 Cl12 Cr4 N20 O8 -","4","1","","Wang, Deligeer; Liu, Shaofeng; Zeng, Yanning; Sun, Wen-Hua; Redshaw, Carl","2-Benzimidazolyl-N-phenylquinoline-8-carboxamide Chromium(III) Trichlorides: Synthesis and Application for Ethylene Oligomerization and Polymerization","Organometallics","2011","30","11","3001","","10.1021/om2001124","","","0.71073","MoKα","","0.087","0.0666","","","0.1711","0.1825","","","","","","1.068","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064440","11.259","0.002","16.246","0.003","30.429","0.006","90","","97.62","0.03","90","","5516.7","1.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 Fe2 N3 -","- C37 H27 Fe2 N3 -","- C296 H216 Fe16 N24 -","8","2","","Wu, Kai-Qiang; Guo, Jian; Yan, Jian-Feng; Xie, Li−Li; Xu, Feng-Bo; Bai, Sha; Nockemann, Peter; Yuan, Yao-Feng","Alkynyl-Bridged Ruthenium(II) 4′-Diferrocenyl-2,2′:6′,2′′-terpyridine Electron Transfer Complexes: Synthesis, Structures, and Electrochemical and Spectroscopic Studies","Organometallics","2011","30","13","3504","","10.1021/om200113d","","","0.71073","MoKα","","0.0906","0.0823","","","0.1578","0.1617","","","","","","1.286","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064441","8.8747","0.0012","9.2127","0.0011","30.87","0.004","90","","90.004","0.007","90","","2523.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 F Ge -","- C31 H31 F Ge -","- C124 H124 F4 Ge4 -","4","1","","Allan, Christopher J.; Reinhold, Crispin R. W.; Pavelka, Laura C.; Baines, Kim M.","Addition of Aldehydes to Germenes: The Influence of Solvent","Organometallics","2011","30","11","3010","","10.1021/om200114n","","","0.71073","MoKα","","0.1003","0.048","","","0.0835","0.0978","","","","","","1.014","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064442","12.3225","0.0005","12.9163","0.0005","13.6889","0.0006","90","","97.482","0.002","90","","2160.19","0.15","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N3 -","- C24 H29 N3 -","- C96 H116 N12 -","4","1","","Spannhoff, Kirsten; Rojas, Rene; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Topologically Related “nacnacH-CN” and “P-nacnacH-CN” Chelate Ligand Systems with HB(C6F5)2","Organometallics","2011","30","8","2377","","10.1021/om200116q","","","1.54178","CuKα","","0.0559","0.0468","","","0.124","0.1319","","","","","","1.04","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064443","10.3543","0.0004","21.0372","0.0009","10.4706","0.0005","90","","112.054","0.002","90","","2113.88","0.16","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N3 -","- C24 H29 N3 -","- C96 H116 N12 -","4","1","","Spannhoff, Kirsten; Rojas, Rene; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Topologically Related “nacnacH-CN” and “P-nacnacH-CN” Chelate Ligand Systems with HB(C6F5)2","Organometallics","2011","30","8","2377","","10.1021/om200116q","","","1.54178","CuKα","","0.0618","0.049","","","0.1246","0.1349","","","","","","1.024","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064444","9.173","0.0005","13.9793","0.0006","14.9065","0.0007","66.006","0.002","85.949","0.002","87.231","0.002","1741.55","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 B F10 N3 -","- C36 H30 B F10 N3 -","- C72 H60 B2 F20 N6 -","2","1","","Spannhoff, Kirsten; Rojas, Rene; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Topologically Related “nacnacH-CN” and “P-nacnacH-CN” Chelate Ligand Systems with HB(C6F5)2","Organometallics","2011","30","8","2377","","10.1021/om200116q","","","1.54178","CuKα","","0.0724","0.0528","","","0.1284","0.1439","","","","","","1.03","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064445","16.0952","0.0004","10.0282","0.0003","31.9122","0.0009","90","","90.84","0.001","90","","5150.3","0.2","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C55 H39 B2 F20 N3 -","- C55 H39 B2 F20 N3 -","- C220 H156 B8 F80 N12 -","4","1","","Spannhoff, Kirsten; Rojas, Rene; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Topologically Related “nacnacH-CN” and “P-nacnacH-CN” Chelate Ligand Systems with HB(C6F5)2","Organometallics","2011","30","8","2377","","10.1021/om200116q","","","1.54178","CuKα","","0.0735","0.0507","","","0.123","0.1399","","","","","","1.022","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064446","12.8718","0.0004","13.1734","0.0004","16.16","0.0006","94.01","0.001","109.163","0.002","119.124","0.003","2171.72","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H32 B F10 N3 P2 -","- C50 H32 B F10 N3 P2 -","- C100 H64 B2 F20 N6 P4 -","2","1","","Spannhoff, Kirsten; Rojas, Rene; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Topologically Related “nacnacH-CN” and “P-nacnacH-CN” Chelate Ligand Systems with HB(C6F5)2","Organometallics","2011","30","8","2377","","10.1021/om200116q","","","1.54178","CuKα","","0.046","0.043","","","0.1124","0.1147","","","","","","1.04","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064447","14.8112","0.0004","22.0942","0.0006","19.1294","0.0005","90","","105.55","0.002","90","","6030.8","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H41 B2 F20 N3 P2 -","- C69 H41 B2 F20 N3 P2 -","- C276 H164 B8 F80 N12 P8 -","4","1","","Spannhoff, Kirsten; Rojas, Rene; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Topologically Related “nacnacH-CN” and “P-nacnacH-CN” Chelate Ligand Systems with HB(C6F5)2","Organometallics","2011","30","8","2377","","10.1021/om200116q","","","1.54178","CuKα","","0.0726","0.0585","","","0.1533","0.1653","","","","","","1.022","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064448","10.4591","0.0004","11.6827","0.0004","19.1693","0.0009","101.833","0.002","105.781","0.004","99.151","0.003","2147.98","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H32 B F10 N3 P2 -","- C50 H32 B F10 N3 P2 -","- C100 H64 B2 F20 N6 P4 -","2","1","","Spannhoff, Kirsten; Rojas, Rene; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Topologically Related “nacnacH-CN” and “P-nacnacH-CN” Chelate Ligand Systems with HB(C6F5)2","Organometallics","2011","30","8","2377","","10.1021/om200116q","","","1.54178","CuKα","","0.0469","0.0417","","","0.1051","0.1094","","","","","","1.036","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064449","7.4271","0.00009","9.22165","0.00011","13.51842","0.00015","83.7462","0.0006","76.1436","0.00006","71.5485","0.0006","852.17","0.018","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Br3 N2 O Pd -","- C15 H13 Br3 N2 O Pd -","- C30 H26 Br6 N4 O2 Pd2 -","2","1","","Ragaini, Fabio; Larici, Heros; Rimoldi, Martino; Caselli, Alessandro; Ferretti, Francesco; Macchi, Piero; Casati, Nicola","Mapping Palladium Reduction by Carbon Monoxide in a Catalytically Relevant System. A Novel Palladium(I) Dimer","Organometallics","2011","30","8","2385","","10.1021/om200118v","","","0.71069","MoKα","","0.0575","0.0364","","","0.0937","0.1039","","","","","","1.021","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064450","14.078","0.004","10.466","0.003","19.686","0.005","90","","90.602","0.003","90","","2900.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 I2 N4 O2 Pd2 -","- C26 H24 I2 N4 O2 Pd2 -","- C104 H96 I8 N16 O8 Pd8 -","4","1","","Ragaini, Fabio; Larici, Heros; Rimoldi, Martino; Caselli, Alessandro; Ferretti, Francesco; Macchi, Piero; Casati, Nicola","Mapping Palladium Reduction by Carbon Monoxide in a Catalytically Relevant System. A Novel Palladium(I) Dimer","Organometallics","2011","30","8","2385","","10.1021/om200118v","","","0.71069","MoKα","","0.0659","0.0371","","","0.0852","0.0978","","","","","","1.015","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064451","38.802","0.016","9.746","0.004","18.301","0.008","90","","117.007","0.009","90","","6166","5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H47 Al -","- C34 H47 Al -","- C272 H376 Al8 -","8","1","","Klis, Tomasz; Powell, Douglas R.; Wojtas, Lukasz; Wehmschulte, Rudolf J.","Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds","Organometallics","2011","30","9","2563","","10.1021/om200120y","","","0.71073","MoKα","","0.0541","0.0417","","","0.1141","0.1271","","","","","","1.02","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064452","10.119","0.002","7.5504","0.0014","27.389","0.006","90","","92.576","0.008","90","","2090.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Al Cl4 -","- C22 H19 Al Cl4 -","- C88 H76 Al4 Cl16 -","4","1","","Klis, Tomasz; Powell, Douglas R.; Wojtas, Lukasz; Wehmschulte, Rudolf J.","Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds","Organometallics","2011","30","9","2563","","10.1021/om200120y","","","0.71073","MoKα","","0.1015","0.0806","","","0.1678","0.1756","","","","","","1.201","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064453","13.4689","0.0002","17.0328","0.0002","23.6118","0.0003","90","","119.949","0.001","90","","4693.54","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H53.8 Al B11 Cl6.2 -","- C39 H53.8 Al B11 Cl6.2 -","- C156 H215.2 Al4 B44 Cl24.8 -","4","1","","Klis, Tomasz; Powell, Douglas R.; Wojtas, Lukasz; Wehmschulte, Rudolf J.","Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds","Organometallics","2011","30","9","2563","","10.1021/om200120y","","","1.54178","CuKα","","0.041","0.0343","","","0.0871","0.0914","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064454","12.1316","0.0014","12.1249","0.0014","25.84","0.003","90","","96.978","0.002","90","","3772.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Al B11 Cl10 -","- C27 H26 Al B11 Cl10 -","- C108 H104 Al4 B44 Cl40 -","4","1","","Klis, Tomasz; Powell, Douglas R.; Wojtas, Lukasz; Wehmschulte, Rudolf J.","Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds","Organometallics","2011","30","9","2563","","10.1021/om200120y","","","0.71073","MoKα","","0.0436","0.0341","","","0.0824","0.0874","","","","","","1.003","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064455","13.736","0.01","20.352","0.015","17.04","0.012","90","","107.88","0.016","90","","4534","6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Al B11 I6 -","- C33 H48 Al B11 I6 -","- C132 H192 Al4 B44 I24 -","4","1","","Klis, Tomasz; Powell, Douglas R.; Wojtas, Lukasz; Wehmschulte, Rudolf J.","Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds","Organometallics","2011","30","9","2563","","10.1021/om200120y","","","0.71073","MoKα","","0.1099","0.051","","","0.0865","0.0986","","","","","","0.975","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064456","13.723","0.004","19.109","0.006","15.786","0.005","90","","115.33","0.012","90","","3742","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H110 Al2 O2 -","- C88 H110 Al2 O2 -","- C176 H220 Al4 O4 -","2","0.5","","Klis, Tomasz; Powell, Douglas R.; Wojtas, Lukasz; Wehmschulte, Rudolf J.","Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds","Organometallics","2011","30","9","2563","","10.1021/om200120y","","","0.71073","MoKα","","0.1109","0.0603","","","0.1301","0.1514","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064457","9.967","0.004","31.025","0.012","15.405","0.006","90","","94.07","0.06","90","","4752","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Al B11 Cl4 I6 N2 -","- C29 H42 Al B11 Cl4 I6 N2 -","- C116 H168 Al4 B44 Cl16 I24 N8 -","4","1","","Klis, Tomasz; Powell, Douglas R.; Wojtas, Lukasz; Wehmschulte, Rudolf J.","Synthesis and Characterization of Bulky Cationic Arylalkylaluminum Compounds","Organometallics","2011","30","9","2563","","10.1021/om200120y","","","0.71073","MoKα","","0.117","0.0718","","","0.1217","0.1339","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064458","7.906","0.0007","10.3441","0.0005","17.581","0.0009","74.102","0.004","86.921","0.005","84.011","0.006","1374.77","0.16","150","2","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 Cr F3 O12 S Sn -","- C20 H23 Cr F3 O12 S Sn -","- C40 H46 Cr2 F6 O24 S2 Sn2 -","2","1","","Dostálová, Romana; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Chromiumpentacarbonyl-Coordinated Organotin(II) Cation","Organometallics","2011","30","8","2405","","10.1021/om200122m","","","0.71073","MoKα","","0.065","0.0471","","","0.0981","0.1085","","","","","","1.115","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064459","10.236","0.0007","9.874","0.0011","19.282","0.002","90","","106.025","0.006","90","","1873.1","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl Cr O7 Sn -","- C15 H13 Cl Cr O7 Sn -","- C60 H52 Cl4 Cr4 O28 Sn4 -","4","1","","Dostálová, Romana; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Chromiumpentacarbonyl-Coordinated Organotin(II) Cation","Organometallics","2011","30","8","2405","","10.1021/om200122m","","","0.71073","MoKα","","0.0967","0.0421","","","0.0619","0.0746","","","","","","1.073","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064460","35.0401","0.0009","11.83","0.0007","24.8469","0.0008","90","","134.141","0.006","90","","7391.3","0.9","150","1","150","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H41 B11 Cr O9 Sn -","- C24 H41 B11 Cr O9 Sn -","- C192 H328 B88 Cr8 O72 Sn8 -","8","1","","Dostálová, Romana; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Chromiumpentacarbonyl-Coordinated Organotin(II) Cation","Organometallics","2011","30","8","2405","","10.1021/om200122m","","","0.71073","MoKα","","0.1151","0.0907","","","0.2041","0.2138","","","","","","1.122","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064461","14.5831","0.0013","27.378","0.002","18.3903","0.0015","90","","90.954","0.002","90","","7341.4","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Cl2 Fe12 N4 O12 -","- C82 H74 Cl2 Fe12 N4 O12 -","- C328 H296 Cl8 Fe48 N16 O48 -","4","1","","Dai, Huei-Fang; Chen, Chia-Hsiang; Chen, Chi-Shian; Yeh, Wen-Yann","Synthesis and Characterization of the Triple Cluster (Cp3Fe4(CO)4(C5H4CH═NCH2CH2))3N and Its Function as a Tripodal Tetradentate Ligand","Organometallics","2011","30","10","2889","","10.1021/om200123v","","","0.71073","MoKα","","0.2045","0.1504","","","0.3113","0.3366","","","","","","1.358","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064462","21.6248","0.0011","23.0879","0.0012","16.7075","0.0009","90","","100.934","0.003","90","","8190.1","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C162 H144 Cl3 Cu3 Fe24 N8 O24 -","- C162 H144 Cl3 Cu3 Fe24 N8 O24 -","- C324 H288 Cl6 Cu6 Fe48 N16 O48 -","2","0.5","","Dai, Huei-Fang; Chen, Chia-Hsiang; Chen, Chi-Shian; Yeh, Wen-Yann","Synthesis and Characterization of the Triple Cluster (Cp3Fe4(CO)4(C5H4CH═NCH2CH2))3N and Its Function as a Tripodal Tetradentate Ligand","Organometallics","2011","30","10","2889","","10.1021/om200123v","","","0.71073","MoKα","","0.1478","0.0745","","","0.1845","0.2088","","","","","","1.012","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064463","10.0741","0.0002","19.8093","0.0004","15.2985","0.0003","90","","103.056","0.0009","90","","2974.06","0.1","100","","100","","","","","","","","LOC ETH Zurich","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 F3 O4 P Ru -","- C31 H36 F3 O4 P Ru -","- C124 H144 F12 O16 P4 Ru4 -","4","1","","Jović, Marija; Torker, Sebastian; Chen, Peter","Non-innocent Character of Oxyanions in Ruthenium Metathesis Catalysts","Organometallics","2011","30","15","3971","","10.1021/om200124z","","","0.71073","MoKα","","0.0522","0.0387","","","0.1094","0.1222","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064464","9.5318","0.0002","14.4071","0.0003","12.5559","0.0002","90","","92.8246","0.0008","90","","1722.15","0.06","100","","100","","","","","","","","LOC ETH Zurich","5","P 1 21 1","P 2yb","4","","","","- C39 H47 O4 P Ru -","- C39 H47 O4 P Ru -","- C78 H94 O8 P2 Ru2 -","2","1","","Jović, Marija; Torker, Sebastian; Chen, Peter","Non-innocent Character of Oxyanions in Ruthenium Metathesis Catalysts","Organometallics","2011","30","15","3971","","10.1021/om200124z","","","0.71073","MoKα","","0.0404","0.0364","","","0.1009","0.106","","","","","","0.827","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064465","13.1089","0.0003","11.5115","0.0002","18.683","0.0004","90","","96.2037","0.0009","90","","2802.81","0.1","173","","","","","","","","","","LOC ETH Zurich","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N O2 P Ru -","- C29 H36 N O5 P Ru -","- C116 H144 N4 O20 P4 Ru4 -","4","1","","Jović, Marija; Torker, Sebastian; Chen, Peter","Non-innocent Character of Oxyanions in Ruthenium Metathesis Catalysts","Organometallics","2011","30","15","3971","","10.1021/om200124z","","","0.71073","MoKα","","0.0546","0.0389","","","0.1131","0.1278","","","","","","0.895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064466","17.5406","0.0005","8.8778","0.0002","20.2061","0.0006","90","","98.295","0.002","90","","3113.62","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 O4 P Ru -","- C36 H41 O4 P Ru -","- C144 H164 O16 P4 Ru4 -","4","1","","Jović, Marija; Torker, Sebastian; Chen, Peter","Non-innocent Character of Oxyanions in Ruthenium Metathesis Catalysts","Organometallics","2011","30","15","3971","","10.1021/om200124z","","","0.71073","MoKα","","0.0694","0.0384","","","0.1071","0.1361","","","","","","0.881","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064467","13.224","0.0005","17.031","0.0006","20.723","0.0008","90","","90","","90","","4667.2","0.3","150","2","150","2","","","","","","","","7","I 21 21 21","I 2b 2c","24","","","","- C28 H38 Au2 F12 N8 O5 P2 -","- C28 H38 Au2 F12 N8 O5 P2 -","- C112 H152 Au8 F48 N32 O20 P8 -","4","0.5","","Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands","Organometallics","2011","30","9","2553","","10.1021/om200125w","","","0.71073","MoKα","","0.0759","0.0561","","","0.1257","0.1336","","","","","","1.062","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064468","10.2132","0.0001","20.4615","0.0003","10.8911","0.0002","90","","106.504","0.001","90","","2182.22","0.06","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H36 Ag2 F12 N8 O4 P2 -","- C28 H36 Ag2 F12 N8 O4 P2 -","- C56 H72 Ag4 F24 N16 O8 P4 -","2","1","","Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands","Organometallics","2011","30","9","2553","","10.1021/om200125w","","","0.71073","MoKα","","0.0583","0.0545","","","0.1373","0.1403","","","","","","1.037","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064469","12.762","0.002","11.951","0.002","14.504","0.002","90","","99.815","0.006","90","","2179.8","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 F12 N4 O2 P2 -","- C14 H20 F12 N4 O2 P2 -","- C56 H80 F48 N16 O8 P8 -","4","2","","Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands","Organometallics","2011","30","9","2553","","10.1021/om200125w","","","0.71073","MoKα","","0.1044","0.0689","","","0.1483","0.1723","","","","","","1.075","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064470","8.3312","0.0003","12.603","0.0004","9.4992","0.0004","90","","114.071","0.002","90","","910.67","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Au2 Cl2 N4 O2 -","- C14 H18 Au2 Cl2 N4 O2 -","- C28 H36 Au4 Cl4 N8 O4 -","2","1","","Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands","Organometallics","2011","30","9","2553","","10.1021/om200125w","","","0.71073","MoKα","","0.0444","0.0371","","","0.0818","0.0853","","","","","","1.045","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064471","10.253","0.002","11.074","0.002","11.12","0.002","63.18","0.03","80.01","0.03","87.34","0.03","1109","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl2 Fe2 N O2 -","- C25 H21 Cl2 Fe2 N O2 -","- C50 H42 Cl4 Fe4 N2 O4 -","2","1","","Solntsev, Pavlo V.; Dudkin, Semen V.; Sabin, Jared R.; Nemykin, Victor N.","Electronic Communications in (Z)-Bis(ferrocenyl)ethylenes with Electron-Withdrawing Substituents","Organometallics","2011","30","11","3037","","10.1021/om2001266","","","0.71073","MoKα","","0.0493","0.0404","","0.1006","0.0917","0.1006","","","","","","1.0307","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064472","8.9925","0.0018","11.639","0.002","11.748","0.002","93.01","0.03","102.02","0.03","112.7","0.03","1097.4","0.5","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 Fe2 O4 -","- C26 H24 Fe2 O4 -","- C52 H48 Fe4 O8 -","2","1","","Solntsev, Pavlo V.; Dudkin, Semen V.; Sabin, Jared R.; Nemykin, Victor N.","Electronic Communications in (Z)-Bis(ferrocenyl)ethylenes with Electron-Withdrawing Substituents","Organometallics","2011","30","11","3037","","10.1021/om2001266","","","0.71073","MoKα","","0.0458","0.0325","","0.0925","0.0803","0.0925","","","","","","0.929","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064473","8.4062","0.0004","10.6464","0.0006","19.865","0.0009","81.895","0.002","86.898","0.0012","88.501","0.0019","1757.19","0.15","294.1","","294.1","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H50 Cl3 P2 Ru Zr -","- C31 H43 Cl3 P2 Ru Zr -","- C62 H86 Cl6 P4 Ru2 Zr2 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.036","","","","0.0713","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064474","10.0997","0.0005","13.8189","0.0005","15.2016","0.0008","80.0785","0.0014","74.0762","0.0015","69.2253","0.0012","1900.93","0.15","173.1","","173.1","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H52 Cl3 Hf P2 Ru -","- C37 H52 Cl3 Hf P2 Ru -","- C74 H104 Cl6 Hf2 P4 Ru2 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0442","","","","0.1305","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064475","13.4937","0.0007","16.2298","0.0007","19.8791","0.001","68.1612","0.0013","86.4757","0.0017","73.8148","0.0014","3876.6","0.3","173.1","","173.1","","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H55 Cl3 Fe P2 Zr -","- C38.5 H55 Cl3 Fe P2 Zr -","- C154 H220 Cl12 Fe4 P8 Zr4 -","4","2","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0629","","","","0.1393","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064476","10.1027","0.0006","18.193","0.001","15.3519","0.0009","90","","91.2069","0.0019","90","","2821","0.3","173.1","","173.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H43 Cl P2 Ru Zr -","- C28 H43 Cl P2 Ru Zr -","- C112 H172 Cl4 P8 Ru4 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0694","","","","0.1632","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064477","10.0904","0.0004","18.1821","0.0007","15.297","0.0005","90","","91.3746","0.0011","90","","2805.65","0.18","173.1","","173.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H43 Cl Hf P2 Ru -","- C28 H43 Cl Hf P2 Ru -","- C112 H172 Cl4 Hf4 P8 Ru4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0237","","","","0.0661","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064478","10.1142","0.0004","17.8172","0.0007","15.2928","0.0005","90","","90.9776","0.0014","90","","2755.46","0.18","173.1","","173.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H43 Cl Fe P2 Zr -","- C28 H43 Cl Fe P2 Zr -","- C112 H172 Cl4 Fe4 P8 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0472","","","","0.111","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064479","15.4208","0.0009","10.2083","0.0005","18.1156","0.001","90","","93.7475","0.0017","90","","2845.7","0.3","173.1","","173.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 P2 Ru Zr -","- C29 H46 P2 Ru Zr -","- C116 H184 P8 Ru4 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0503","","","","0.1176","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064480","15.3893","0.0008","10.1926","0.0005","18.1074","0.0009","90","","93.8189","0.0015","90","","2834","0.2","173.1","","173.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 Hf P2 Ru -","- C29 H46 Hf P2 Ru -","- C116 H184 Hf4 P8 Ru4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0219","","","","0.0598","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064481","10.2584","0.0005","17.8696","0.001","15.2502","0.0008","90","","90.7531","0.0013","90","","2795.3","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H46 Fe P2 Zr -","- C29 H46 Fe P2 Zr -","- C116 H184 Fe4 P8 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0749","","","","0.1196","","","","","","1","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064482","15.5628","0.0005","10.2318","0.0003","17.9693","0.0005","90","","93.801","0.0012","90","","2855.06","0.15","173.1","","173.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 B P2 Ru Zr -","- C28 H47 B P2 Ru Zr -","- C112 H188 B4 P8 Ru4 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.037","","","","0.1015","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064483","18.4803","0.0009","14.9182","0.0006","10.8453","0.0005","90","","90","","90","","2990","0.2","173.1","","173.1","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H49 N P2 Ru Zr -","- C30 H49 N P2 Ru Zr -","- C120 H196 N4 P8 Ru4 Zr4 -","4","0.5","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0279","","","","0.0713","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064484","25.306","0.0012","10.2628","0.0004","20.6056","0.0008","90","","91.944","0.0016","90","","5348.4","0.4","173.1","","173.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 P2 Ru Zr -","- C28 H44 P2 Ru Zr -","- C224 H352 P16 Ru8 Zr8 -","8","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes","Organometallics","2011","30","8","2394","","10.1021/om200127r","","","0.71075","MoKα","","","0.0617","","","","0.1599","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064485","10.6068","0.0006","13.4155","0.0008","14.0248","0.0008","62.0255","0.0006","70.4309","0.0006","86.1671","0.0007","1650.88","0.17","143","2","143","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H34 Au F3 O4 P Rh S -","- C34 H34 Au F3 O4 P Rh S -","- C68 H68 Au2 F6 O8 P2 Rh2 S2 -","2","1","","Shi, Yili; Blum, Suzanne A.","Gold and Rhodium Transmetalation: Mechanistic Insights and Dual-Metal Reactivity","Organometallics","2011","30","7","1776","","10.1021/om2001316","","","0.71073","MoKα","","0.021","0.0198","","","0.0493","0.0499","","","","","","1.018","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4064486","14.5564","0.0005","8.1265","0.0002","19.5917","0.0006","90","","112.229","0.001","90","","2145.32","0.11","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H29 N Si2 -","- C22 H29 N Si2 -","- C88 H116 N4 Si8 -","4","1","","Masuda, Kohei; Ohmura, Toshimichi; Suginome, Michinori","2-Vinylindoles As the Four-Atom Component in a Catalytic [4+1] Cycloaddition with a Silylene-Palladium Species Generated from (Aminosilyl)boronic Ester","Organometallics","2011","30","6","1322","","10.1021/om200135u","","","0.71075","MoKα","","0.0451","0.0349","","","0.0882","0.094","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064487","8.329","0.0001","13.5601","0.0002","19.8436","0.0002","90","","90.451","0.001","90","","2241.11","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Co Si2 -","- C23 H35 Co Si2 -","- C92 H140 Co4 Si8 -","4","1","","Hung-Low, Fernando; Bradley, Christopher A.","Indenyl Ligands as Supports for Reactive, Low-Valent Cobalt(I) Fragments","Organometallics","2011","30","10","2636","","10.1021/om200139x","","","0.71073","MoKα","","0.0295","0.0254","","","0.0632","0.0652","","","","","","1.053","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064488","7.2804","0.0002","10.4812","0.0003","10.8965","0.0003","91.494","0.002","101.59","0.002","102.986","0.002","791.49","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 Co2 Si4 -","- C30 H46 Co2 Si4 -","- C30 H46 Co2 Si4 -","1","0.5","","Hung-Low, Fernando; Bradley, Christopher A.","Indenyl Ligands as Supports for Reactive, Low-Valent Cobalt(I) Fragments","Organometallics","2011","30","10","2636","","10.1021/om200139x","","","0.71073","MoKα","","0.0319","0.0253","","","0.0611","0.0647","","","","","","1.035","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064489","13.245","0.002","22.608","0.003","15.123","0.003","90","","102.71","0.02","90","","4417.5","1.3","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C51 H62 O3 -","- C51 H62 O3 -","- C204 H248 O12 -","4","1","","Espinas, Jeff; Pelletier, Jérémie; Jeanneau, Erwan; Darbost, Ulrich; Szeto, Kai C.; Lucas, Christine; Thivolle-Cazat, Jean; Duchamp, Christian; Henriques, Natali; Bouchu, Denis; Basset, Jean-Marie; Chermette, Henry; Bonnamour, Isabelle; Taoufik, Mostafa","Synthesis of Novel Tantalacalixarene Complexes: First Example of Intramolecular CH Activation of Monodepleted Aromatic Ring","Organometallics","2011","30","13","3512","","10.1021/om200140u","","","1.5418","CuKα","","0.0987","0.0807","","0.2046","0.1643","0.2046","","","","","","0.9765","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064490","16.359","0.001","17.981","0.001","19.781","0.001","116.445","0.006","98.994","0.005","97.308","0.005","5016.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 Cl4 O6 Ta2 -","- C88 H106 Cl4 O6 Ta2 -","- C176 H212 Cl8 O12 Ta4 -","2","1","","Espinas, Jeff; Pelletier, Jérémie; Jeanneau, Erwan; Darbost, Ulrich; Szeto, Kai C.; Lucas, Christine; Thivolle-Cazat, Jean; Duchamp, Christian; Henriques, Natali; Bouchu, Denis; Basset, Jean-Marie; Chermette, Henry; Bonnamour, Isabelle; Taoufik, Mostafa","Synthesis of Novel Tantalacalixarene Complexes: First Example of Intramolecular CH Activation of Monodepleted Aromatic Ring","Organometallics","2011","30","13","3512","","10.1021/om200140u","","","1.5418","CuKα","","0.0912","0.0763","","0.2087","0.1757","0.2087","","","","","","1.0755","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064491","14.653","0.005","19.076","0.005","21.946","0.005","90","","105.974","0.005","90","","5897","3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66.5 H82.5 O4 Ta -","- C66.5 H82.5 O4 Ta -","- C266 H330 O16 Ta4 -","4","1","","Espinas, Jeff; Pelletier, Jérémie; Jeanneau, Erwan; Darbost, Ulrich; Szeto, Kai C.; Lucas, Christine; Thivolle-Cazat, Jean; Duchamp, Christian; Henriques, Natali; Bouchu, Denis; Basset, Jean-Marie; Chermette, Henry; Bonnamour, Isabelle; Taoufik, Mostafa","Synthesis of Novel Tantalacalixarene Complexes: First Example of Intramolecular CH Activation of Monodepleted Aromatic Ring","Organometallics","2011","30","13","3512","","10.1021/om200140u","","","0.71069","MoKα","","0.089","0.0332","","0.0763","0.0256","0.0236","","","","","","1.1336","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064492","12.1785","0.0002","12.2432","0.0002","21.0538","0.0003","99.493","0.001","99.806","0.001","90.533","0.001","3048.72","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","in manuscript 4","","","- C10 H18 Cl2 N2 Pd -","- C10 H18 Cl2 N2 Pd -","- C80 H144 Cl16 N16 Pd8 -","8","4","","Hashmi, A. Stephen K.; Lothschütz, Christian; Böhling, Constantin; Rominger, Frank","From Isonitriles to Carbenes: Synthesis of New NAC− and NHC−Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2011","30","8","2411","","10.1021/om200141s","","","0.71073","MoKα","","0.0981","0.0511","","","0.0892","0.1033","","","","","","1.071","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064493","16.3358","0.0014","12.1124","0.0011","17.6986","0.0016","90","","95.689","0.002","90","","3484.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","in manuscript 13b","","","- C16 H27.5 Cl N2.5 Pd0.5 -","- C16 H27.5 Cl N2.5 Pd0.5 -","- C128 H220 Cl8 N20 Pd4 -","8","2","","Hashmi, A. Stephen K.; Lothschütz, Christian; Böhling, Constantin; Rominger, Frank","From Isonitriles to Carbenes: Synthesis of New NAC− and NHC−Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2011","30","8","2411","","10.1021/om200141s","","","0.71073","MoKα","","0.0603","0.0481","","","0.0929","0.0971","","","","","","1.176","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064494","14.0187","0.0002","14.7476","0.0002","18.388","0.0002","90","","100.165","0.001","90","","3741.9","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","in manuscript 14","","","- C35 H47 Cl4 N3 Pd -","- C35 H47 Cl4 N3 Pd -","- C140 H188 Cl16 N12 Pd4 -","4","1","","Hashmi, A. Stephen K.; Lothschütz, Christian; Böhling, Constantin; Rominger, Frank","From Isonitriles to Carbenes: Synthesis of New NAC− and NHC−Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2011","30","8","2411","","10.1021/om200141s","","","0.71073","MoKα","","0.0822","0.0386","","","0.0694","0.0811","","","","","","1.009","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064495","23.278","0.003","12.3004","0.0013","18.1142","0.0019","90","","107.509","0.002","90","","4946.3","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","in manuscript 18","","","- C21 H28 Cl2 N3 P Pd -","- C21 H28 Cl2 N3 P Pd -","- C168 H224 Cl16 N24 P8 Pd8 -","8","2","","Hashmi, A. Stephen K.; Lothschütz, Christian; Böhling, Constantin; Rominger, Frank","From Isonitriles to Carbenes: Synthesis of New NAC− and NHC−Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2011","30","8","2411","","10.1021/om200141s","","","0.71073","MoKα","","0.0891","0.0631","","","0.1102","0.1191","","","","","","1.16","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064496","15.4116","0.0001","9.7659","0.0002","21.3609","0.0003","90","","96.713","0.001","90","","3192.95","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","in supporting information","","","- C31 H45 Cl2 N3 Pd -","- C31 H45 Cl2 N3 Pd -","- C124 H180 Cl8 N12 Pd4 -","4","1","","Hashmi, A. Stephen K.; Lothschütz, Christian; Böhling, Constantin; Rominger, Frank","From Isonitriles to Carbenes: Synthesis of New NAC− and NHC−Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2011","30","8","2411","","10.1021/om200141s","","","0.71073","MoKα","","0.0602","0.0335","","","0.0684","0.0766","","","","","","1.053","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064497","13.619","0.003","10.35","0.003","13.132","0.003","90","","90","","90","","1851","0.8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H36 Br2 N8 O4 Ru2 -","- C36 H36 Br2 N8 O4 Ru2 -","- C72 H72 Br4 N16 O8 Ru4 -","2","0.5","","Saha, Biswajit; Ghatak, Tapas; Sinha, Arup; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Site-Directed Anchoring of an N-Heterocyclic Carbene on a Dimetal Platform: Evaluation of a Pair of Diruthenium(I) Catalysts for Carbene-Transfer Reactions from Ethyl Diazoacetate","Organometallics","2011","30","7","2051","","10.1021/om200142p","","","0.71073","MoKα","","0.0741","0.0563","","","0.1462","0.1615","","","","","","1.067","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064498","26.344","0.007","19.94","0.006","13.903","0.004","90","","121.345","0.004","90","","6237","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 Br N4 O6 Ru2 -","- C30 H21 Br N4 O6 Ru2 -","- C240 H168 Br8 N32 O48 Ru16 -","8","1","","Saha, Biswajit; Ghatak, Tapas; Sinha, Arup; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Site-Directed Anchoring of an N-Heterocyclic Carbene on a Dimetal Platform: Evaluation of a Pair of Diruthenium(I) Catalysts for Carbene-Transfer Reactions from Ethyl Diazoacetate","Organometallics","2011","30","7","2051","","10.1021/om200142p","","","0.71073","MoKα","","0.0504","0.0387","","","0.097","0.108","","","","","","1.091","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064499","9.6856","0.0005","22.1866","0.0011","24.7742","0.001","111.902","0.004","95.026","0.004","98.143","0.004","4832.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C61.25 H50.5 O3.75 P2 Ru -","- C61.25 H50.5 O3.75 P2 Ru -","- C245 H202 O15 P8 Ru4 -","4","2","","Chang, Wei-Chen; Cheng, Cheng-Wei; Ma, Hao-Wei; Lin, Ying-Chih; Liu, Yi-Hong","Tandem Cyclization in Ruthenium Vinylidene Complexes with Two Ester Groups","Organometallics","2011","30","10","2747","","10.1021/om200143e","","","0.71073","MoKα","","0.0684","0.0362","","","0.0662","0.0705","","","","","","0.881","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064500","15.229","0.001","17.046","0.001","17.138","0.001","80.71","0.01","81.86","0.01","65.41","0.01","3978.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Hg3 I6 O1.5 P4 -","- C80 H72 Hg3 I6 O1.5 P4 -","- C160 H144 Hg6 I12 O3 P8 -","2","1","","Petz, Wolfgang; Neumüller, Bernhard; Klein, Susanne; Frenking, Gernot","Syntheses and Crystal Structures of [Hg{C(PPh3)2}2][Hg2I6] and [Cu{C(PPh3)2}2]I and Comparative Theoretical Study of Carbene Complexes [M(NHC)2] with Carbone Complexes [M{C(PH3)2}2] (M = Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+)","Organometallics","2011","30","12","3330","","10.1021/om200145c","","","0.71073","MoKα","","0.0695","0.0281","","","0.0385","0.0424","","","","","","0.605","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064501","11.949","0.001","14.736","0.001","20.854","0.002","75","0.01","78.97","0.01","82.03","0.01","3465.9","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H76 Cu I O2 P4 -","- C82 H76 Cu I O2 P4 -","- C164 H152 Cu2 I2 O4 P8 -","2","1","","Petz, Wolfgang; Neumüller, Bernhard; Klein, Susanne; Frenking, Gernot","Syntheses and Crystal Structures of [Hg{C(PPh3)2}2][Hg2I6] and [Cu{C(PPh3)2}2]I and Comparative Theoretical Study of Carbene Complexes [M(NHC)2] with Carbone Complexes [M{C(PH3)2}2] (M = Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+)","Organometallics","2011","30","12","3330","","10.1021/om200145c","","","0.71073","MoKα","","0.14","0.0469","","","0.0756","0.0925","","","","","","0.69","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064502","6.4431","0.0007","12.1236","0.0013","23.887","0.003","90","","90","","90","","1865.9","0.4","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl Ge N2 O2 -","- C20 H19 Cl Ge N2 O2 -","- C80 H76 Cl4 Ge4 N8 O8 -","4","1","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.0299","0.0271","","","0.0617","0.0624","","","","","","1.03","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064503","15.0177","0.0011","15.0177","0.0011","23.3884","0.0017","90","","90","","90","","5274.8","0.7","123","","123","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C24 H27 F6 Ge N2 O3 Sb -","- C24 H27 F6 Ge N2 O3 Sb -","- C192 H216 F48 Ge8 N16 O24 Sb8 -","8","1","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.0316","0.0257","","","0.054","0.0561","","","","","","1.026","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064504","16.9","0.003","10.763","0.002","18.208","0.004","90","","115.731","0.002","90","","2983.5","1","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H30 F6 Ge N2 O2 P Sb -","- C28 H30 F6 Ge N2 O2 P Sb -","- C112 H120 F24 Ge4 N8 O8 P4 Sb4 -","4","2","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.0287","0.0269","","","0.0659","0.0668","","","","","","1.072","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064505","10.972","0.003","20.684","0.006","37.963","0.01","90","","90","","90","","8616","4","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26.33 H27.33 F6 Ge N3 O2.67 Sb -","- C26.3333 H27.3333 F6 Ge N3 O2.66667 Sb -","- C316 H328 F72 Ge12 N36 O32 Sb12 -","12","3","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.0581","0.0412","","","0.0823","0.0887","","","","","","1.011","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064506","10.484","0.002","9.846","0.002","14.752","0.003","90","","91.548","0.003","90","","1522.2","0.5","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H36 F6 N2 O4 Sb -","- C28 H36 F6 N2 O3.5 Sb -","- C56 H72 F12 N4 O7 Sb2 -","2","1","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.079","0.0614","","","0.1565","0.1692","","","","","","1.031","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064507","9.0469","0.0002","13.1911","0.0003","23.8059","0.0005","82.7973","0.0012","86.6985","0.0013","70.7499","0.0013","2660.55","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 N2 O W -","- C58 H84 N2 O W -","- C116 H168 N4 O2 W2 -","2","1","","Marinescu, Smaranda C.; Schrock, Richard R.; Müller, Peter; Takase, Michael K.; Hoveyda, Amir H.","Room Temperature Z-Selective Homocoupling of α Olefins by Tungsten Catalysts.","Organometallics","2011","30","7","1780","1782","10.1021/om200150c","","","1.54178","CuKα","","0.0207","0.0204","","","0.0508","0.0509","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064508","44.1194","0.0007","9.5497","0.0002","23.8428","0.0004","90","","115.104","0.001","90","","9096.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H55 N2 O1.5 W -","- C56 H55 N2 O1.5 W -","- C448 H440 N16 O12 W8 -","8","1","","Marinescu, Smaranda C.; Schrock, Richard R.; Müller, Peter; Takase, Michael K.; Hoveyda, Amir H.","Room Temperature Z-Selective Homocoupling of α Olefins by Tungsten Catalysts.","Organometallics","2011","30","7","1780","1782","10.1021/om200150c","","","1.54178","CuKα","","0.0233","0.0219","","","0.0544","0.0553","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064509","13.0576","0.0002","12.8834","0.0002","33.4802","0.0006","90","","100.254","0.001","90","","5542.29","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H86 N2 O W -","- C59 H86 N2 O W -","- C236 H344 N8 O4 W4 -","4","1","","Marinescu, Smaranda C.; Schrock, Richard R.; Müller, Peter; Takase, Michael K.; Hoveyda, Amir H.","Room Temperature Z-Selective Homocoupling of α Olefins by Tungsten Catalysts.","Organometallics","2011","30","7","1780","1782","10.1021/om200150c","","","1.54178","CuKα","","0.0314","0.0288","","","0.0704","0.0721","","","","","","1.077","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064510","11.6728","0.0007","15.4693","0.0008","30.9914","0.0017","90","","95.427","0.001","90","","5571","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H83 N4 P2 Sc -","- C57 H83 N4 P2 Sc -","- C228 H332 N16 P8 Sc4 -","4","1","","Wicker, Benjamin F.; Scott, Jennifer; Fout, Alison R.; Pink, Maren; Mindiola, Daniel J.","Atom-Economical Route to Substituted Pyridines via a Scandium Imide","Organometallics","2011","30","9","2453","","10.1021/om2001537","","","0.71073","MoKα","","0.0622","0.0459","","","0.1261","0.1379","","","","","","1.031","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064511","12.5519","0.0013","13.9454","0.0014","18.719","0.002","74.525","0.002","74.729","0.002","68.528","0.002","2888","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H91 N4 P2 Sc -","- C61 H91 N4 P2 Sc -","- C122 H182 N8 P4 Sc2 -","2","1","","Wicker, Benjamin F.; Scott, Jennifer; Fout, Alison R.; Pink, Maren; Mindiola, Daniel J.","Atom-Economical Route to Substituted Pyridines via a Scandium Imide","Organometallics","2011","30","9","2453","","10.1021/om2001537","","","0.71073","MoKα","","0.107","0.0612","","","0.147","0.1696","","","","","","1.027","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4064512","10.6222","0.0012","15.5318","0.0018","17.776","0.002","104.763","0.003","101.279","0.002","95.942","0.002","2744.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H83 N4 P2 Sc -","- C57 H83 N4 P2 Sc -","- C114 H166 N8 P4 Sc2 -","2","1","","Wicker, Benjamin F.; Scott, Jennifer; Fout, Alison R.; Pink, Maren; Mindiola, Daniel J.","Atom-Economical Route to Substituted Pyridines via a Scandium Imide","Organometallics","2011","30","9","2453","","10.1021/om2001537","","x-ray","0.71073","MoKα","","0.0753","0.0514","","","0.1313","0.1459","","","","","","1.014","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064513","11.5073","0.0014","37.533","0.005","15.104","0.002","90","","94.151","0.002","90","","6506.4","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H100 N5 P2 Sc -","- C65 H88 N5 P2 Sc -","- C260 H352 N20 P8 Sc4 -","4","1","","Wicker, Benjamin F.; Scott, Jennifer; Fout, Alison R.; Pink, Maren; Mindiola, Daniel J.","Atom-Economical Route to Substituted Pyridines via a Scandium Imide","Organometallics","2011","30","9","2453","","10.1021/om2001537","","x-ray","0.71073","MoKα","","0.1466","0.0725","","","0.1572","0.1836","","","","","","0.934","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064514","13.993","0.003","17.075","0.003","18.979","0.004","90","","105.35","0.03","90","","4372.9","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 Br2 N2 Ni -","- C54 H44 Br2 N2 Ni -","- C216 H176 Br8 N8 Ni4 -","4","1","","Liu, Hao; Zhao, Weizhen; Hao, Xiang; Redshaw, Carl; Huang, Wei; Sun, Wen-Hua","2,6-Dibenzhydryl-N-(2-phenyliminoacenaphthylenylidene)-4-methylbenzenamine Nickel Dibromides: Synthesis, Characterization, and Ethylene Polymerization","Organometallics","2011","30","8","2418","","10.1021/om200154a","","","0.71073","MoKα","","","0.0682","","","0.1674","0.1811","","","","","","1.23","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064515","10.685","0.002","12.489","0.003","18.069","0.004","75.13","0.03","84.45","0.03","79.63","0.03","2289.2","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br2 N2 Ni -","- C56 H48 Br2 N2 Ni -","- C112 H96 Br4 N4 Ni2 -","2","1","","Liu, Hao; Zhao, Weizhen; Hao, Xiang; Redshaw, Carl; Huang, Wei; Sun, Wen-Hua","2,6-Dibenzhydryl-N-(2-phenyliminoacenaphthylenylidene)-4-methylbenzenamine Nickel Dibromides: Synthesis, Characterization, and Ethylene Polymerization","Organometallics","2011","30","8","2418","","10.1021/om200154a","","","0.71073","MoKα","","0.0631","0.0516","","","0.1375","0.1516","","","","","","1.211","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064516","11.5741","0.0016","18.941","0.002","19.224","0.002","90","","107.014","0.0019","90","","4029.9","0.8","113.1","","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 P4 Pt2 Si2 -","- C36 H56 P4 Pt2 Si2 -","- C144 H224 P16 Pt8 Si8 -","4","1","","Tanabe, Makoto; Jiang, Jian; Yamazawa, Hideto; Osakada, Kohtaro; Ohmura, Toshimichi; Suginome, Michinori","Dinuclear Palladium and Platinum Complexes with Bridging Silylene Ligands. Preparation Using (Aminosilyl)boronic Ester as the Ligand Precursor and Their Reactions with Alkynes","Organometallics","2011","30","15","3981","","10.1021/om200156g","","","0.7107","MoKα","","0.0241","0.0199","","","0.0422","0.0438","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064517","9.609","0.004","10.751","0.005","11.421","0.005","98.7843","0.0013","111.692","0.004","106.126","0.007","1009.2","0.8","113.1","","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 P4 Pd2 Si2 -","- C36 H56 P4 Pd2 Si2 -","- C36 H56 P4 Pd2 Si2 -","1","0.5","","Tanabe, Makoto; Jiang, Jian; Yamazawa, Hideto; Osakada, Kohtaro; Ohmura, Toshimichi; Suginome, Michinori","Dinuclear Palladium and Platinum Complexes with Bridging Silylene Ligands. Preparation Using (Aminosilyl)boronic Ester as the Ligand Precursor and Their Reactions with Alkynes","Organometallics","2011","30","15","3981","","10.1021/om200156g","","","0.7107","MoKα","","0.0404","0.0316","","","0.0828","0.0861","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064518","12.678","0.003","18.481","0.004","18.113","0.004","90","","108.257","0.003","90","","4030.3","1.6","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H50 P2 Pt Si2 -","- C42.5 H46 P2 Pt Si2 -","- C170 H184 P8 Pt4 Si8 -","4","1","","Tanabe, Makoto; Jiang, Jian; Yamazawa, Hideto; Osakada, Kohtaro; Ohmura, Toshimichi; Suginome, Michinori","Dinuclear Palladium and Platinum Complexes with Bridging Silylene Ligands. Preparation Using (Aminosilyl)boronic Ester as the Ligand Precursor and Their Reactions with Alkynes","Organometallics","2011","30","15","3981","","10.1021/om200156g","","","0.7107","MoKα","","0.0371","0.0299","","","0.0669","0.07","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064519","10.113","0.0014","20.167","0.003","21.381","0.003","90","","96.812","0.002","90","","4329.8","1.1","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47.5 H52 P2 Pd Si2 -","- C47.5 H53 P2 Pd Si2 -","- C190 H212 P8 Pd4 Si8 -","4","1","","Tanabe, Makoto; Jiang, Jian; Yamazawa, Hideto; Osakada, Kohtaro; Ohmura, Toshimichi; Suginome, Michinori","Dinuclear Palladium and Platinum Complexes with Bridging Silylene Ligands. Preparation Using (Aminosilyl)boronic Ester as the Ligand Precursor and Their Reactions with Alkynes","Organometallics","2011","30","15","3981","","10.1021/om200156g","","","0.7107","MoKα","","0.0666","0.047","","","0.108","0.1175","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064520","17.963","0.005","10.544","0.004","18.541","0.003","90","","111.398","0.014","90","","3269.6","1.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 P2 Pt Si -","- C34 H40 P2 Pt Si -","- C136 H160 P8 Pt4 Si4 -","4","1","","Tanabe, Makoto; Jiang, Jian; Yamazawa, Hideto; Osakada, Kohtaro; Ohmura, Toshimichi; Suginome, Michinori","Dinuclear Palladium and Platinum Complexes with Bridging Silylene Ligands. Preparation Using (Aminosilyl)boronic Ester as the Ligand Precursor and Their Reactions with Alkynes","Organometallics","2011","30","15","3981","","10.1021/om200156g","","","0.71069","MoKα","","0.0553","0.0462","","","0.1279","0.1348","","","","","","1.027","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064521","20.1864","0.0006","15.5085","0.0003","21.8311","0.0006","90","","92.6084","0.0017","90","","6827.4","0.3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 P2 Pt Si -","- C36 H44 P2 Pt Si -","- C288 H352 P16 Pt8 Si8 -","8","2","","Tanabe, Makoto; Jiang, Jian; Yamazawa, Hideto; Osakada, Kohtaro; Ohmura, Toshimichi; Suginome, Michinori","Dinuclear Palladium and Platinum Complexes with Bridging Silylene Ligands. Preparation Using (Aminosilyl)boronic Ester as the Ligand Precursor and Their Reactions with Alkynes","Organometallics","2011","30","15","3981","","10.1021/om200156g","","","0.7107","MoKα","","0.0597","0.0439","","","0.1137","0.1536","","","","","","1.099","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064522","13.006","0.007","17.015","0.007","16.417","0.006","90","","101.85","","90","","3556","3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 O2 P2 Pt Si2 -","- C34 H42 O2 P2 Pt Si2 -","- C136 H168 O8 P8 Pt4 Si8 -","4","1","","Tanabe, Makoto; Jiang, Jian; Yamazawa, Hideto; Osakada, Kohtaro; Ohmura, Toshimichi; Suginome, Michinori","Dinuclear Palladium and Platinum Complexes with Bridging Silylene Ligands. Preparation Using (Aminosilyl)boronic Ester as the Ligand Precursor and Their Reactions with Alkynes","Organometallics","2011","30","15","3981","","10.1021/om200156g","","","0.71069","MoKα","","0.1195","0.0754","","","0.2026","0.2286","","","","","","1.048","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064523","10.1631","0.0014","12.7084","0.0016","11.9261","0.0019","90","","114.609","0.015","90","","1400.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Mn N2 O3 -","- C16 H9 Mn N2 O3 -","- C64 H36 Mn4 N8 O12 -","4","1","","Utepova, Irina A.; Musikhina, Alexandra A.; Chupakhin, Oleg N.; Slepukhin, Pavel A.","New Approach to the Synthesis of Azinylcymantrenes","Organometallics","2011","30","11","3047","","10.1021/om200159f","","","0.71073","MoKα","","0.052","0.0298","","","0.0662","0.0697","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064524","17.274","0.0013","10.3238","0.0008","12.4326","0.0006","90","","101.833","0.005","90","","2170","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Mn N3 O3 -","- C25 H20 Mn N3 O3 -","- C100 H80 Mn4 N12 O12 -","4","1","","Utepova, Irina A.; Musikhina, Alexandra A.; Chupakhin, Oleg N.; Slepukhin, Pavel A.","New Approach to the Synthesis of Azinylcymantrenes","Organometallics","2011","30","11","3047","","10.1021/om200159f","","","0.71073","MoKα","","0.062","0.0337","","","0.071","0.0749","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064525","14.7687","0.0012","12.0964","0.001","30.477","0.003","90","","101.537","0.002","90","","5334.7","0.8","123","2","123","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C29 H44 N Ni P -","- C29 H44 N Ni P -","- C232 H352 N8 Ni8 P8 -","8","2","","Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke","Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0)","Organometallics","2011","30","10","2765","","10.1021/om2001603","","","0.71075","MoKα","","0.1661","0.0768","","","0.1602","0.1984","","","","","","1.013","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064526","10.4287","0.0005","12.2964","0.0008","14.4467","0.0008","66.299","0.002","80.093","0.002","67.103","0.002","1562.39","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H50 Al Cl N Ni P -","- C31 H50 Al Cl N Ni P -","- C62 H100 Al2 Cl2 N2 Ni2 P2 -","2","1","","Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke","Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0)","Organometallics","2011","30","10","2765","","10.1021/om2001603","","","0.71075","MoKα","","0.039","0.0338","","","0.0862","0.0897","","","","","","1.106","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064527","9.1579","0.0008","22.3334","0.0017","15.0975","0.0014","90","","93.729","0.003","90","","3081.3","0.5","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 F3 N Ni O3 P S -","- C30 H45 F3 N Ni O3 P S -","- C120 H180 F12 N4 Ni4 O12 P4 S4 -","4","1","","Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke","Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0)","Organometallics","2011","30","10","2765","","10.1021/om2001603","","","0.71075","MoKα","","0.1582","0.1193","","","0.307","0.3437","","","","","","1.163","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064528","8.3374","0.0005","33.3279","0.0017","9.2706","0.0006","90","","99.118","0.002","90","","2543.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N Ni P -","- C28 H42 N Ni P -","- C112 H168 N4 Ni4 P4 -","4","1","","Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke","Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0)","Organometallics","2011","30","10","2765","","10.1021/om2001603","","","0.71075","MoKα","","0.0688","0.0463","","","0.109","0.1246","","","","","","1.053","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064529","16.6868","0.0013","10.2681","0.0008","18.9795","0.0017","90","","113.851","0.002","90","","2974.3","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Al Cl N Ni P -","- C30 H48 Al Cl N Ni P -","- C120 H192 Al4 Cl4 N4 Ni4 P4 -","4","1","","Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke","Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0)","Organometallics","2011","30","10","2765","","10.1021/om2001603","","","0.71075","MoKα","","0.1142","0.0641","","","0.1579","0.2034","","","","","","1.122","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064530","12.1333","0.0009","15.7","0.0011","19.0696","0.0012","90","","109.714","0.002","90","","3419.7","0.4","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 Al F3 N Ni O3 P S -","- C31 H48 Al F3 N Ni O3 P S -","- C124 H192 Al4 F12 N4 Ni4 O12 P4 S4 -","4","1","","Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke","Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0)","Organometallics","2011","30","10","2765","","10.1021/om2001603","","","0.71075","MoKα","","0.0707","0.046","","","0.107","0.1207","","","","","","1.082","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064531","10.5957","0.0005","15.564","0.0008","18.419","0.001","90","","104.836","0.002","90","","2936.2","0.3","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 F3 N Ni O3 P S -","- C29 H43 F3 N Ni O3 P S -","- C116 H172 F12 N4 Ni4 O12 P4 S4 -","4","1","","Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke","Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0)","Organometallics","2011","30","10","2765","","10.1021/om2001603","","","0.71075","MoKα","","0.1208","0.0574","","","0.1097","0.1514","","","","","","1.072","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064532","9.4279","0.0007","14.2349","0.001","15.7794","0.001","74.939","0.002","87.102","0.002","84.712","0.002","2035.5","0.2","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","","","- C39 H59 F3 N Ni O3 P S Si -","- C39 H59 F3 N Ni O3 P S Si -","- C78 H118 F6 N2 Ni2 O6 P2 S2 Si2 -","2","1","","Ohashi, Masato; Ikawa, Masashi; Ogoshi, Sensuke","Intramolecular Oxidative Cyclization of Alkenes and Nitriles with Nickel(0)","Organometallics","2011","30","10","2765","","10.1021/om2001603","","","0.71075","MoKα","","0.0716","0.0547","","","0.1355","0.1498","","","","","","1.053","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064533","11.3823","0.0007","11.3823","0.0007","7.8487","0.001","90","","90","","120","","880.62","0.14","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C12 H10 B Mn N6 O3 -","- C12 H9 B Mn N6 O3 -","- C24 H18 B2 Mn2 N12 O6 -","2","0.333333","","Swennenhuis, Bert H. G.; Poland, Ross; DeYonker, Nathan J.; Webster, Charles Edwin; Darensbourg, Donald J.; Bengali, Ashfaq A.","Ligand Displacement from TpMn(CO)2L Complexes: A Large Rate Enhancement in Comparison to the CpMn(CO)2L Analogues","Organometallics","2011","30","11","3054","","10.1021/om200161g","","","0.71073","MoKα","","0.0308","0.0286","","","0.0835","0.0843","","","","","","1.09","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064534","12.987","0.002","17.751","0.003","16.205","0.003","90","","95.1","0.03","90","","3721","1.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H60 Mg N6 -","- C37 H60 Mg N6 -","- C148 H240 Mg4 N24 -","4","1","","Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Otero, Antonio; Alonso-Moreno, Carlos; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Stereoselective Production of Poly(rac-lactide) by ROP with Highly Efficient Bulky Heteroscorpionate Alkylmagnesium Initiators","Organometallics","2011","30","10","2775","","10.1021/om200163t","","","0.71073","MoKα","","0.2216","0.0869","","","0.1847","0.2614","","","","","","0.894","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064535","10.2612","0.0009","17.109","0.002","23.306","0.002","90","","93.321","0.006","90","","4084.7","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H66 Mg N6 O -","- C35 H66 Mg N6 O -","- C140 H264 Mg4 N24 O4 -","4","1","","Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Otero, Antonio; Alonso-Moreno, Carlos; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Stereoselective Production of Poly(rac-lactide) by ROP with Highly Efficient Bulky Heteroscorpionate Alkylmagnesium Initiators","Organometallics","2011","30","10","2775","","10.1021/om200163t","","","0.71073","MoKα","","0.1219","0.0798","","","0.1262","0.1892","","","","","","0.947","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064536","10.495","0.001","10.507","0.001","34.072","0.005","93.384","0.003","93.316","0.002","109.409","0.003","3525.5","0.7","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H58 Mg N6 -","- C32 H58 Mg N6 -","- C128 H232 Mg4 N24 -","4","2","","Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Otero, Antonio; Alonso-Moreno, Carlos; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Stereoselective Production of Poly(rac-lactide) by ROP with Highly Efficient Bulky Heteroscorpionate Alkylmagnesium Initiators","Organometallics","2011","30","10","2775","","10.1021/om200163t","","","0.71073","MoKα","","0.1399","0.0666","","","0.1416","0.1787","","","","","","0.961","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064537","14.3118","0.0005","19.9092","0.0007","11.4573","0.0004","90","","90","","90","","3264.6","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Triptyphos, 1 in manuscript","","","- C44 H32 P2 -","- C44 H32 P2 -","- C176 H128 P8 -","4","0.5","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.099","0.0448","","","0.0984","0.117","","","","","","1.013","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064538","8.6175","0.0001","21.0066","0.0003","9.9016","0.0001","90","","108.535","0.001","90","","1699.46","0.04","200","2","200","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Rucaphos, 4 in manuscript","","","- C41 H32 Cl2 P2 -","- C41 H32 Cl1.916 P2 -","- C82 H64 Cl3.832 P4 -","2","0.5","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.0645","0.0488","","","0.1124","0.1232","","","","","","1.02","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064539","19.9597","0.0002","21.6837","0.0005","8.7475","0.0002","90","","90.172","0.001","90","","3785.9","0.13","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Maophos, 4 in manuscript","","","- C51 H50 O1.5 P2 -","- C51.349 H39 P2 -","- C205.396 H156 P8 -","4","0.5","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.1107","0.0617","","","0.1579","0.1841","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064540","12.842","0.0008","21.6164","0.0014","14.2048","0.0009","90","","96.08","0.002","90","","3921","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","OMe-C5phos, 6c in manuscript","","","- C47 H44 O4 P2 -","- C47 H44 O4 P2 -","- C188 H176 O16 P8 -","4","1","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.0857","0.0544","","","0.123","0.1381","","","","","","1.01","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064541","12.301","0.002","13.431","0.002","13.879","0.002","62.547","0.003","88.51","0.003","86.32","0.003","2030.6","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","CF3-C5phos, 6d in manuscript","","","- C47 H32 F12 P2 -","- C47 H32 F12 P2 -","- C94 H64 F24 P4 -","2","1","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.1033","0.0755","","","0.1621","0.1741","","","","","","1.137","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064542","16.2756","0.0003","10.8845","0.0002","20.0927","0.0004","90","","102.29","0.001","90","","3477.88","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Rucaphos)NiCl2, 14 in manuscript","","","- C40 H32 Cl2 Ni P2 -","- C40 H32 Cl2 Ni P2 -","- C160 H128 Cl8 Ni4 P8 -","4","1","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.0797","0.0469","","","0.0946","0.1081","","","","","","1.049","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064543","33.9156","0.0005","13.0276","0.0002","25.7532","0.0001","90","","129.098","0.001","90","","8830.7","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Rucaphos)Ni(C4H7)CN, 16a in manuscript","","","- C53 H55 N Ni O2 P2 -","- C53 H55 N Ni O2 P2 -","- C424 H440 N8 Ni8 O16 P16 -","8","1","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.1054","0.0667","","","0.1764","0.1997","","","","","","1.108","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064544","35.9521","0.0001","13.3196","0.0002","21.292","0.0001","90","","116.503","0.001","90","","9124.56","0.17","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[(Rucaphos)Ni(C4H7)CN]2·ZnCl2, 24 in manuscript","","","- C52 H47 Cl2 N Ni P2 Zn -","- C52 H47 Cl2 N Ni P2 Zn -","- C416 H376 Cl16 N8 Ni8 P16 Zn8 -","8","1","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.1064","0.052","","","0.0968","0.117","","","","","","1.044","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064545","10.0032","0.0001","11.0104","0.0004","19.3264","0.0006","76.469","0.002","87.728","0.002","89.092","0.002","2067.84","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","(Rucaphos)Ni(C4H7)Cl, 25 in manuscript","","","- C51 H47 Cl Ni P2 -","- C51 H47 Cl Ni P2 -","- C102 H94 Cl2 Ni2 P4 -","2","1","","Tauchert, Michael E.; Warth, Daniel C. M.; Braun, Sebastian M.; Gruber, Irene; Ziesak, Alexandra; Rominger, Frank; Hofmann, Peter","Highly Efficient Nickel-Catalyzed 2-Methyl-3-butenenitrile Isomerization: Applications and Mechanistic Studies Employing the TTP Ligand Family","Organometallics","2011","30","10","2790","","10.1021/om200164f","","","0.71073","MoKα","","0.1505","0.0599","","","0.097","0.1252","","","","","","0.969","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064546","41.326","0.002","9.6978","0.0005","17.252","0.0009","90","","106.222","0.002","90","","6638.8","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H44 Hf N2 -","- C39 H44 Hf N2 -","- C312 H352 Hf8 N16 -","8","1","","Frazier, Kevin A.; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Vosejpka, Paul C.; Zhou, Zhe; Abboud, Khalil A.","Pyridylamido Hafnium and Zirconium Complexes: Synthesis, Dynamic Behavior, and Ethylene/1-Octene and Propylene Polymerization Reactions","Organometallics","2011","30","12","3318","","10.1021/om200167h","","","0.71073","MoKα","","0.0338","0.0231","","","0.0533","0.0562","","","","","","1.03","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064547","14.618","0.002","19.485","0.003","10.6264","0.0014","90","","102.434","0.004","90","","2955.7","0.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 N2 -","- C37 H40 N2 -","- C148 H160 N8 -","4","1","","Frazier, Kevin A.; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Vosejpka, Paul C.; Zhou, Zhe; Abboud, Khalil A.","Pyridylamido Hafnium and Zirconium Complexes: Synthesis, Dynamic Behavior, and Ethylene/1-Octene and Propylene Polymerization Reactions","Organometallics","2011","30","12","3318","","10.1021/om200167h","","","0.71073","MoKα","","0.062","0.0416","","","0.1023","0.1248","","","","","","1.087","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064548","41.407","0.002","9.6765","0.0006","17.225","0.001","90","","106.067","0.001","90","","6632","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H44 N2 Zr -","- C39 H44 N2 Zr -","- C312 H352 N16 Zr8 -","8","1","","Frazier, Kevin A.; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Vosejpka, Paul C.; Zhou, Zhe; Abboud, Khalil A.","Pyridylamido Hafnium and Zirconium Complexes: Synthesis, Dynamic Behavior, and Ethylene/1-Octene and Propylene Polymerization Reactions","Organometallics","2011","30","12","3318","","10.1021/om200167h","","","0.71073","MoK\α","","0.0657","0.037","","","0.0854","0.0932","","","","","","0.924","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064549","33.168","0.003","9.0552","0.0008","36.835","0.003","90","","92.183","0.001","90","","11055.1","1.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H60 B Cl3 N3 O3 P Ru -","- C62.5 H59 B Cl3 N3 O3 P Ru -","- C500 H472 B8 Cl24 N24 O24 P8 Ru8 -","8","1","","Liu, Pei Nian; Wen, Ting Bin; Ju, Kun Dong; Sung, Herman H.-Y.; Williams, Ian D.; Jia, Guochen","Mechanism Investigations of the Endo Cycloisomerization of Alkynols through Isolation and Characterization of Ruthenium Complexes from the Reactions of Alkynes with a Ruthenium Complex","Organometallics","2011","30","9","2571","","10.1021/om2001684","","","0.71073","MoKα","","0.0926","0.065","","","0.1366","0.1468","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064550","22.9187","0.0016","13.7663","0.0003","21.4402","0.001","90","","117.178","0.007","90","","6017.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H69 B Cl2 N3 P Ru -","- C68 H69 B Cl2 N3 P Ru -","- C272 H276 B4 Cl8 N12 P4 Ru4 -","4","1","","Liu, Pei Nian; Wen, Ting Bin; Ju, Kun Dong; Sung, Herman H.-Y.; Williams, Ian D.; Jia, Guochen","Mechanism Investigations of the Endo Cycloisomerization of Alkynols through Isolation and Characterization of Ruthenium Complexes from the Reactions of Alkynes with a Ruthenium Complex","Organometallics","2011","30","9","2571","","10.1021/om2001684","","","1.54178","CuKα","","0.1072","0.0694","","","0.1701","0.1962","","","","","","1.036","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064551","33.8739","0.0009","12.3263","0.0004","27.7974","0.0006","90","","93.945","0.002","90","","11579","0.5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C63.5 H64.5 B Cl2 N3 O P Ru -","- C63.5 H61 B Cl2 N3 O P Ru -","- C508 H488 B8 Cl16 N24 O8 P8 Ru8 -","8","1","","Liu, Pei Nian; Wen, Ting Bin; Ju, Kun Dong; Sung, Herman H.-Y.; Williams, Ian D.; Jia, Guochen","Mechanism Investigations of the Endo Cycloisomerization of Alkynols through Isolation and Characterization of Ruthenium Complexes from the Reactions of Alkynes with a Ruthenium Complex","Organometallics","2011","30","9","2571","","10.1021/om2001684","","","1.54178","CuKα","","0.087","0.0548","","","0.1233","0.1329","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064552","14.3083","0.0007","15.0767","0.0007","15.4095","0.0007","112.824","0.005","104.771","0.004","107.571","0.004","2646.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H130 B2 N6 O6 P2 Ru2 -","- C126 H130 B2 N6 O6 P2 Ru2 -","- C126 H130 B2 N6 O6 P2 Ru2 -","1","0.5","","Liu, Pei Nian; Wen, Ting Bin; Ju, Kun Dong; Sung, Herman H.-Y.; Williams, Ian D.; Jia, Guochen","Mechanism Investigations of the Endo Cycloisomerization of Alkynols through Isolation and Characterization of Ruthenium Complexes from the Reactions of Alkynes with a Ruthenium Complex","Organometallics","2011","30","9","2571","","10.1021/om2001684","","","1.54178","CuKα","","0.0356","0.0317","","","0.0778","0.0793","","","","","","1.055","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064553","26.092","0.005","12.313","0.003","28.282","0.006","90","","91.95","0.03","90","","9081","3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C58 H91 Bi8 Cl19 O2 -","- C58 H91 Bi8 Cl19 O2 -","- C232 H364 Bi32 Cl76 O8 -","4","1","","Monakhov, Kirill Yu.; Zessin, Thomas; Linti, Gerald","Molecular Assemblies Based on Cp*BiX2Units (X = Cl, Br, I): An Experimental and Computational Study","Organometallics","2011","30","10","2844","","10.1021/om200169d","","","0.71073","MoKα","","0.0738","0.0622","","","0.1459","0.1511","","","","","","0.984","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064554","8.3125","0.0017","9.6493","0.0019","16.127","0.003","90","","90","","90","","1293.5","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Bi Br2 -","- C10 H15 Bi Br2 -","- C40 H60 Bi4 Br8 -","4","1","","Monakhov, Kirill Yu.; Zessin, Thomas; Linti, Gerald","Molecular Assemblies Based on Cp*BiX2Units (X = Cl, Br, I): An Experimental and Computational Study","Organometallics","2011","30","10","2844","","10.1021/om200169d","","x-ray","0.71073","MoKα","","0.0359","0.033","","","0.0768","0.0777","","","","","","1.024","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064555","14.844","0.003","14.935","0.003","22.894","0.005","75.71","0.03","76.26","0.03","88.72","0.03","4774.1","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H82 Bi6 Br13 Cl6 -","- C53 H82 Bi6 Br13 Cl6 -","- C106 H164 Bi12 Br26 Cl12 -","2","1","","Monakhov, Kirill Yu.; Zessin, Thomas; Linti, Gerald","Molecular Assemblies Based on Cp*BiX2Units (X = Cl, Br, I): An Experimental and Computational Study","Organometallics","2011","30","10","2844","","10.1021/om200169d","","x-ray","0.71073","MoKα","","0.1424","0.0623","","","0.1501","0.1767","","","","","","0.846","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064556","8.4364","0.0017","9.86","0.002","16.956","0.003","90","","90","","90","","1410.4","0.5","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Bi I2 -","- C10 H15 Bi I2 -","- C40 H60 Bi4 I8 -","4","1","","Monakhov, Kirill Yu.; Zessin, Thomas; Linti, Gerald","Molecular Assemblies Based on Cp*BiX2Units (X = Cl, Br, I): An Experimental and Computational Study","Organometallics","2011","30","10","2844","","10.1021/om200169d","","x-ray","0.71073","MoKα","","0.0707","0.0382","","","0.0738","0.079","","","","","","0.802","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064557","14.0469","0.0001","9.5035","0.0001","23.4552","0.0001","90","","90.161","0.0002","90","","3131.13","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H38 Au N2 O2 P -","- C36 H38 Au N2 O2 P -","- C144 H152 Au4 N8 O8 P4 -","4","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0159","0.0155","","","0.0333","0.0335","","","","","","1.032","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064558","11.7568","0.0003","13.7436","0.0004","13.8327","0.0003","60.37","0.002","66.843","0.001","87.213","0.001","1756.32","0.09","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H42 Au N2 O2 P -","- C38 H42 Au N2 O2 P -","- C76 H84 Au2 N4 O4 P2 -","2","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.026","0.023","","","0.0549","0.0564","","","","","","1.019","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064559","10.8549","0.0008","12.8777","0.0013","13.7661","0.0008","102.595","0.002","102.201","0.003","104.249","0.002","1747.3","0.2","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C75 H86 Au2 N4 O7 P2 -","- C75 H86 Au2 N4 O7 P2 -","- C75 H86 Au2 N4 O7 P2 -","1","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0246","0.0211","","","0.0487","0.0499","","","","","","1.033","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064560","11.1773","0.0002","11.1809","0.0005","14.7447","0.0004","102.303","0.002","102.379","0.002","97.749","0.001","1726.76","0.1","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C78 H80 Au2 N4 O4 P2 -","- C78 H80 Au2 N4 O4 P2 -","- C78 H80 Au2 N4 O4 P2 -","1","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.023","0.0207","","","0.0453","0.0465","","","","","","1.038","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064561","10.5265","0.0003","12.8693","0.0003","16.8844","0.0005","90","","90","","90","","2287.31","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl2 N2 O3 Ti -","- C21 H30 Cl2 N2 O3 Ti -","- C84 H120 Cl8 N8 O12 Ti4 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0481","0.0364","","","0.081","0.0859","","","","","","1.091","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064562","12.3862","0.0001","12.823","0.0001","16.1505","0.0001","90","","90","","90","","2565.16","0.03","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 Cl3 N2 O2 V -","- C24 H29 Cl3 N2 O2 V -","- C96 H116 Cl12 N8 O8 V4 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0295","0.0273","","","0.0667","0.0684","","","","","","1.033","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064563","15.81512","0.00008","17.09278","0.00002","17.86083","0.00011","90","","90","","90","","4828.22","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 Cl2 Cr N3 O2 -","- C23 H28 Cl2 Cr N3 O2 -","- C184 H224 Cl16 Cr8 N24 O16 -","8","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0429","0.0289","","","0.0604","0.0652","","","","","","1.036","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064564","12.5881","0.0007","15.8811","0.0007","13.1308","0.0005","90","","92.657","0.002","90","","2622.2","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H58 Cl6 N4 O4 Zr2 -","- C48 H58 Cl6 N4 O4 Zr2 -","- C96 H116 Cl12 N8 O8 Zr4 -","2","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0201","0.0173","","","0.0397","0.0407","","","","","","1.042","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064565","13.329","0.0002","12.5854","0.0004","30.1594","0.0005","90","","97.372","0.002","90","","5017.4","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43.35 H53.35 Cl6 Hf2 N4 O4 -","- C43.35 H53.35 Cl6 Hf2 N4 O4 -","- C173.4 H213.4 Cl24 Hf8 N16 O16 -","4","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0343","0.0311","","","0.0732","0.0755","","","","","","1.068","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064566","11.1179","0.0001","18.6083","0.0001","24.8042","0.0002","90","","90","","90","","5131.62","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H64 Cl4 N4 Nb2 O6 -","- C47 H64 Cl4 N4 Nb2 O6 -","- C188 H256 Cl16 N16 Nb8 O24 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0371","0.0289","","","0.0648","0.0679","","","","","","1.032","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064567","16.156","0.0012","16.8883","0.0009","16.4416","0.0008","90","","92.284","0.003","90","","4482.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H46 Cl4 Fe2 N4 O4 -","- C36 H46 Cl4 Fe2 N4 O4 -","- C144 H184 Cl16 Fe8 N16 O16 -","4","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0592","0.0467","","","0.1069","0.1119","","","","","","1.056","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064568","24.037","0.005","10.269","0.002","19.625","0.004","90","","92.771","0.005","90","","4838.5","1.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cl8 Ga4 Si4 -","- C32 H48 Cl8 Ga4 Si4 -","- C128 H192 Cl32 Ga16 Si16 -","4","1","","Uhl, Werner; Claesener, Michael; Kovert, Dirk; Hepp, Alexander; Würthwein, Ernst-Ulrich; Ghavtadze, Nugzar","A Unique Chlorine‒Methyl Exchange Reaction upon Treatment of Dichloroorganogallium Compounds, RGaCl2, with the Bulky Alkyllithium Derivative LiC(SiMe3)3","Organometallics","2011","30","11","3075","","10.1021/om200176y","","","0.71073","MoKα","","0.1478","0.0707","","","0.1034","0.1197","","","","","","0.979","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064569","9.911","0.002","10.461","0.002","13.4","0.003","68.39","0.03","82.91","0.03","65.21","0.03","1171.8","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cl4 Ga2 Si2 -","- C52 H42 Cl4 Ga2 Si2 -","- C52 H42 Cl4 Ga2 Si2 -","1","0.5","","Uhl, Werner; Claesener, Michael; Kovert, Dirk; Hepp, Alexander; Würthwein, Ernst-Ulrich; Ghavtadze, Nugzar","A Unique Chlorine‒Methyl Exchange Reaction upon Treatment of Dichloroorganogallium Compounds, RGaCl2, with the Bulky Alkyllithium Derivative LiC(SiMe3)3","Organometallics","2011","30","11","3075","","10.1021/om200176y","","","0.71073","MoKα","","0.0483","0.0327","","","0.0735","0.0774","","","","","","0.952","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064570","18.2189","0.0007","9.1162","0.0004","19.7515","0.0008","90","","112.065","0.001","90","","3040.2","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H98 Cl2 Ga2 Si8 -","- C46 H98 Cl2 Ga2 Si8 -","- C92 H196 Cl4 Ga4 Si16 -","2","0.5","","Uhl, Werner; Claesener, Michael; Kovert, Dirk; Hepp, Alexander; Würthwein, Ernst-Ulrich; Ghavtadze, Nugzar","A Unique Chlorine‒Methyl Exchange Reaction upon Treatment of Dichloroorganogallium Compounds, RGaCl2, with the Bulky Alkyllithium Derivative LiC(SiMe3)3","Organometallics","2011","30","11","3075","","10.1021/om200176y","","","0.71073","MoKα","","0.0759","0.0489","","","0.1364","0.1512","","","","","","1.04","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064571","14.7824","0.0002","18.3463","0.0002","21.5909","0.0002","90","","109.526","0.001","90","","5518.75","0.11","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H88 Cl2 Ga2 Si8 -","- C41 H88 Cl2 Ga2 Si8 -","- C164 H352 Cl8 Ga8 Si32 -","4","1","","Uhl, Werner; Claesener, Michael; Kovert, Dirk; Hepp, Alexander; Würthwein, Ernst-Ulrich; Ghavtadze, Nugzar","A Unique Chlorine‒Methyl Exchange Reaction upon Treatment of Dichloroorganogallium Compounds, RGaCl2, with the Bulky Alkyllithium Derivative LiC(SiMe3)3","Organometallics","2011","30","11","3075","","10.1021/om200176y","","","1.54178","CuKα","","0.0511","0.0412","","","0.1108","0.1161","","","","","","1.061","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064572","9.4243","0.0003","15.0923","0.0005","26.2901","0.0009","90","","99.895","0.001","90","","3683.7","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl Ga Si4 -","- C36 H48 Cl Ga Si4 -","- C144 H192 Cl4 Ga4 Si16 -","4","1","","Uhl, Werner; Claesener, Michael; Kovert, Dirk; Hepp, Alexander; Würthwein, Ernst-Ulrich; Ghavtadze, Nugzar","A Unique Chlorine‒Methyl Exchange Reaction upon Treatment of Dichloroorganogallium Compounds, RGaCl2, with the Bulky Alkyllithium Derivative LiC(SiMe3)3","Organometallics","2011","30","11","3075","","10.1021/om200176y","","","0.71073","MoKα","","0.0773","0.055","","","0.1537","0.168","","","","","","1.017","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064573","10.0746","0.0002","10.102","0.0002","12.6597","0.0002","92.74","","91.44","","95.99","","1279.34","0.04","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C19 H28 B F3 N7 O4 P S W -","- C19 H28 B F3 N7 O4 P S W -","- C38 H56 B2 F6 N14 O8 P2 S2 W2 -","2","1","","Harrison, Daniel P.; Nichols-Nielander, Adam C.; Zottig, Victor E.; Strausberg, Laura; Salomon, Rebecca J.; Trindle, Carl O.; Sabat, Michal; Gunnoe, T. Brent; Iovan, Diana A.; Myers, William H.; Harman, W. Dean","Hyperdistorted Tungsten Allyl Complexes and Their Stereoselective Deprotonation to Form Dihapto-Coordinated Dienes","Organometallics","2011","30","9","2587","","10.1021/om200183m","","","0.71073","MoKα","","0.0199","0.0187","","","0.059","0.0612","","","","","","0.554","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064574","9.8009","0.0002","15.2066","0.0003","16.5637","0.0003","90","","96.209","0.001","90","","2454.15","0.08","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 B F3 N7 O4 P S W -","- C15.99 H19 B F3 N7 O4 P S W -","- C63.96 H76 B4 F12 N28 O16 P4 S4 W4 -","4","1","","Harrison, Daniel P.; Nichols-Nielander, Adam C.; Zottig, Victor E.; Strausberg, Laura; Salomon, Rebecca J.; Trindle, Carl O.; Sabat, Michal; Gunnoe, T. Brent; Iovan, Diana A.; Myers, William H.; Harman, W. Dean","Hyperdistorted Tungsten Allyl Complexes and Their Stereoselective Deprotonation to Form Dihapto-Coordinated Dienes","Organometallics","2011","30","9","2587","","10.1021/om200183m","","","0.71073","MoKα","","0.0444","0.0301","","","0.0895","0.1029","","","","","","0.742","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064575","7.8189","0.0001","12.9163","0.0002","13.5923","0.0002","84.35","0.001","76.041","0.001","83.121","0.001","1319.12","0.03","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C19 H30 B F3 N7 O4 P S W -","- C19 H30 B F3 N7 O4 P S W -","- C38 H60 B2 F6 N14 O8 P2 S2 W2 -","2","1","","Harrison, Daniel P.; Nichols-Nielander, Adam C.; Zottig, Victor E.; Strausberg, Laura; Salomon, Rebecca J.; Trindle, Carl O.; Sabat, Michal; Gunnoe, T. Brent; Iovan, Diana A.; Myers, William H.; Harman, W. Dean","Hyperdistorted Tungsten Allyl Complexes and Their Stereoselective Deprotonation to Form Dihapto-Coordinated Dienes","Organometallics","2011","30","9","2587","","10.1021/om200183m","","","0.71073","MoKα","","0.0259","0.0241","","","0.0796","0.0821","","","","","","0.718","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064576","16.966","0.002","11.615","0.001","21.42","0.003","90","","94.16","0.01","90","","4209.9","0.9","153","2","153","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 B Cl2 F9 N8 O10 P S3 W -","- C24 H34 B Cl2 F9 N8 O10 P S3 W -","- C96 H136 B4 Cl8 F36 N32 O40 P4 S12 W4 -","4","1","","Harrison, Daniel P.; Nichols-Nielander, Adam C.; Zottig, Victor E.; Strausberg, Laura; Salomon, Rebecca J.; Trindle, Carl O.; Sabat, Michal; Gunnoe, T. Brent; Iovan, Diana A.; Myers, William H.; Harman, W. Dean","Hyperdistorted Tungsten Allyl Complexes and Their Stereoselective Deprotonation to Form Dihapto-Coordinated Dienes","Organometallics","2011","30","9","2587","","10.1021/om200183m","","","0.71073","MoKα","","0.0533","0.0308","","","0.079","0.0988","","","","","","0.763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064577","18.454","0.005","24.536","0.007","36.207","0.003","90","","90","","90","","16394","7","200","2","200","2","","","","","","","","9","P n a a","-P 2ac 2bc","56","","","","- C75 H64 B2 Cl6 F8 Fe8 O8 P2 Pd -","- C75 H64 B2 Cl6 F8 Fe8 O8 P2 Pd -","- C600 H512 B16 Cl48 F64 Fe64 O64 P16 Pd8 -","8","1","","Dai, Huei-Fang; Yeh, Wen-Yann","Tetrairon Cluster Cp3Fe4(CO)4(C5H4PPh2) as a P‒O Chelating Agent to Bind Palladium(II) and Copper(I) Ions through Phosphine and μ3-Carbonyl Groups","Organometallics","2011","30","15","3992","","10.1021/om200185z","","","0.7107","MoKα","","0.1898","0.1047","","","0.2512","0.2878","","","","","","1.057","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064578","9.4592","0.0018","31.234","0.006","11.384","0.002","90","","90.902","0.003","90","","3363","1.1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H64 Fe8 N4 O12 P2 Pd -","- C76 H64 Fe8 N4 O12 P2 Pd -","- C152 H128 Fe16 N8 O24 P4 Pd2 -","2","0.5","","Dai, Huei-Fang; Yeh, Wen-Yann","Tetrairon Cluster Cp3Fe4(CO)4(C5H4PPh2) as a P‒O Chelating Agent to Bind Palladium(II) and Copper(I) Ions through Phosphine and μ3-Carbonyl Groups","Organometallics","2011","30","15","3992","","10.1021/om200185z","","","0.71073","MoKα","","0.1264","0.059","","","0.0965","0.1144","","","","","","0.976","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064579","13.4281","0.0001","14.5572","0.0001","19.3485","0.0002","97.98","0.01","99.06","0.02","108.45","0.01","3470.4","0.4","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C74 H62 B Cl4 Cu F4 Fe8 O8 P2 -","- C74 H62 B Cl4 Cu F4 Fe8 O8 P2 -","- C148 H124 B2 Cl8 Cu2 F8 Fe16 O16 P4 -","2","1","","Dai, Huei-Fang; Yeh, Wen-Yann","Tetrairon Cluster Cp3Fe4(CO)4(C5H4PPh2) as a P‒O Chelating Agent to Bind Palladium(II) and Copper(I) Ions through Phosphine and μ3-Carbonyl Groups","Organometallics","2011","30","15","3992","","10.1021/om200185z","","","0.71073","MoKα","","0.0727","0.0588","","","0.1512","0.1629","","","","","","1.029","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064580","9.1827","0.0005","15.561","0.0008","16.4433","0.0009","90","","98.9859","0.0006","90","","2320.8","0.2","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H70 S2 Sc2 -","- C55 H62 S2 Sc2 -","- C110 H124 S4 Sc4 -","2","0.5","","Demir, Selvan; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","σ Bond Metathesis Reactivity of Allyl Scandium Metallocenes with Diphenyldichalcogenides, PhEEPh (E = S, Se, Te)","Organometallics","2011","30","11","3083","","10.1021/om2001876","","","0.71073","MoKα","","0.0391","0.0346","","","0.0928","0.0963","","","","","","1.059","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064581","11.5128","0.0011","11.843","0.0011","20.2121","0.0019","90","","90","","90","","2755.8","0.4","143","2","143","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C31 H39 Sc Te -","- C31 H39 Sc Te -","- C124 H156 Sc4 Te4 -","4","0.5","","Demir, Selvan; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","σ Bond Metathesis Reactivity of Allyl Scandium Metallocenes with Diphenyldichalcogenides, PhEEPh (E = S, Se, Te)","Organometallics","2011","30","11","3083","","10.1021/om2001876","","","0.71073","MoKα","","0.0449","0.0406","","","0.1308","0.134","","","","","","1.131","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064582","8.9008","0.0004","9.4443","0.0005","15.9737","0.0008","81.1952","0.0005","75.367","0.0005","71.187","0.0005","1226.05","0.11","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 O S Sc -","- C28 H39 O S Sc -","- C56 H78 O2 S2 Sc2 -","2","1","","Demir, Selvan; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","σ Bond Metathesis Reactivity of Allyl Scandium Metallocenes with Diphenyldichalcogenides, PhEEPh (E = S, Se, Te)","Organometallics","2011","30","11","3083","","10.1021/om2001876","","","0.71073","MoKα","","0.0333","0.0302","","","0.0793","0.0817","","","","","","1.054","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064583","8.8672","0.0005","9.7827","0.0006","15.3323","0.0009","94.6992","0.0007","102.811","0.0007","97.2083","0.0007","1278.34","0.13","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 O Sc Se -","- C28 H39 O Sc Se -","- C56 H78 O2 Sc2 Se2 -","2","1","","Demir, Selvan; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","σ Bond Metathesis Reactivity of Allyl Scandium Metallocenes with Diphenyldichalcogenides, PhEEPh (E = S, Se, Te)","Organometallics","2011","30","11","3083","","10.1021/om2001876","","","0.71073","MoKα","","0.0268","0.0248","","","0.067","0.0681","","","","","","1.044","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064584","9.357","0.0003","16.848","0.0006","18.5223","0.0006","67.1803","0.0004","79.3325","0.0004","76.4365","0.0004","2601.89","0.15","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 O Sc Te -","- C28 H39 O Sc Te -","- C112 H156 O4 Sc4 Te4 -","4","2","","Demir, Selvan; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","σ Bond Metathesis Reactivity of Allyl Scandium Metallocenes with Diphenyldichalcogenides, PhEEPh (E = S, Se, Te)","Organometallics","2011","30","11","3083","","10.1021/om2001876","","","0.71073","MoKα","","0.0256","0.0217","","","0.0527","0.0549","","","","","","1.039","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064585","16.3661","0.0005","8.4809","0.0003","15.8932","0.0005","90","","108.001","0.0003","90","","2097.99","0.12","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N S Sc -","- C23 H30 N S Sc -","- C92 H120 N4 S4 Sc4 -","4","1","","Demir, Selvan; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","σ Bond Metathesis Reactivity of Allyl Scandium Metallocenes with Diphenyldichalcogenides, PhEEPh (E = S, Se, Te)","Organometallics","2011","30","11","3083","","10.1021/om2001876","","","0.71073","MoKα","","0.0324","0.0304","","","0.0824","0.0841","","","","","","1.029","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4064586","15.4767","0.0006","16.2551","0.0007","21.1099","0.0009","101.12","0.002","107.239","0.002","101.066","0.002","4797.9","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H72 Cl6 F6 I2 N8 O6 Pd2 S2 -","- C78 H72 Cl6 F6 I2 N8 O6 Pd2 S2 -","- C156 H144 Cl12 F12 I4 N16 O12 Pd4 S4 -","2","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio J.; Bautista, Delia","Mono-, Di-, and Trinuclear Palladium(II) Complexes Containing a Ligand with One, Two, or Three 1,2-Dihydroquinazolinium-4-yl Groups","Organometallics","2011","30","8","2425","","10.1021/om200188r","","","0.71073","MoKα","","0.0848","0.0573","","","0.1247","0.1339","","","","","","1.015","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064587","9.5852","0.0006","16.1945","0.0007","26.5651","0.0012","93.652","0.002","96.824","0.002","97.606","0.002","4045.2","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C77 H72 Cl2 F6 I2 N8 O6 Pd2 S2 -","- C77 H72 Cl2 F6 I2 N8 O6 Pd2 S2 -","- C154 H144 Cl4 F12 I4 N16 O12 Pd4 S4 -","2","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio J.; Bautista, Delia","Mono-, Di-, and Trinuclear Palladium(II) Complexes Containing a Ligand with One, Two, or Three 1,2-Dihydroquinazolinium-4-yl Groups","Organometallics","2011","30","8","2425","","10.1021/om200188r","","","0.71073","MoKα","","0.1","0.0714","","","0.1351","0.1458","","","","","","1.111","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064588","42.599","0.006","15.936","0.002","28.179","0.004","90","","126.362","0.001","90","","15405","4","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H94 Ir4 N4 O16 -","- C67 H72 Ir4 N4 O16 -","- C536 H576 Ir32 N32 O128 -","8","1","","Yu, Wei-Bin; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin","Rational Design of Half-Sandwich Iridium Metallamacrocycles Assembled by C‒H Activation","Organometallics","2011","30","11","3090","","10.1021/om200189j","","","0.71073","MoKα","","0.1","0.0456","","","0.0996","0.1135","","","","","","0.884","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064589","23.67","0.003","17.8123","0.0019","24.342","0.003","90","","109.407","0.002","90","","9680","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C85 H121 F3 Ir4 N8 O21 S -","- C85 H104 F3 Ir4 N8 O21 S -","- C340 H416 F12 Ir16 N32 O84 S4 -","4","1","","Yu, Wei-Bin; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin","Rational Design of Half-Sandwich Iridium Metallamacrocycles Assembled by C‒H Activation","Organometallics","2011","30","11","3090","","10.1021/om200189j","","","0.71073","MoKα","","0.1067","0.0617","","","0.1601","0.1778","","","","","","1.005","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064590","8.2054","0.0006","11.2363","0.0009","12.647","0.001","82.961","0.006","82.588","0.006","83.508","0.006","1141.96","0.15","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 Cl5 Fe2 N8 -","- C52 H38 Cl5 Fe2 N8 -","- C52 H38 Cl5 Fe2 N8 -","1","0.5","","Boudier, Adrien; Breuil, Pierre-Alain R.; Magna, Lionel; Rangheard, Claudine; Ponthus, Jérémie; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Novel Catalytic System for Ethylene Oligomerization: An Iron(III) Complex with an Anionic N,N,N Ligand","Organometallics","2011","30","10","2640","","10.1021/om200197s","","","0.7107","MoKα","","0.0633","0.0461","","0.1257","0.0995","0.1257","","","","","","0.9678","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064591","19.1126","0.0003","26.6732","0.0009","17.5989","0.0005","90","","90","","90","","8971.8","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C100 H84 Cl4 Fe4 N16 O4 -","- C100 H84 Cl4 Fe4 N16 O4 -","- C400 H336 Cl16 Fe16 N64 O16 -","4","0.5","","Boudier, Adrien; Breuil, Pierre-Alain R.; Magna, Lionel; Rangheard, Claudine; Ponthus, Jérémie; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Novel Catalytic System for Ethylene Oligomerization: An Iron(III) Complex with an Anionic N,N,N Ligand","Organometallics","2011","30","10","2640","","10.1021/om200197s","","x-ray","0.71073","MoKα","","0.1455","0.0666","","","0.142","0.162","","","","","","1.044","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064592","10.3669","0.0005","11.0238","0.0005","14.735","0.0007","93.515","0.002","95.803","0.002","114.082","0.002","1519.73","0.13","180","","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H44 B N6 Nb -","- C31 H44 B N6 Nb -","- C62 H88 B2 N12 Nb2 -","2","1","","Boulho, Cédric; Vendier, Laure; Etienne, Michel; Locati, Abel; Maseras, Feliu; McGrady, John E.","Aromatic versus Benzylic CH Bond Activation of Alkylaromatics by a Transient η2-Cyclopropene Complex","Organometallics","2011","30","15","3999","","10.1021/om200199e","","","0.71073","MoKα","","0.0551","0.0427","","","0.1114","0.1401","","","","","","1.301","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064593","10.9059","0.0005","15.7471","0.0008","18.3411","0.0009","81.086","0.001","80.921","0.001","89.216","0.001","3072.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H40 Fe2 N8 P4 S8 -","- C63 H40 Fe2 N8 P4 S8 -","- C126 H80 Fe4 N16 P8 S16 -","2","1","","Kling, Christian; Leusser, Dirk; Stey, Thomas; Stalke, Dietmar","Flexibility First—AJanus-HeadLigand in Iron Coordination","Organometallics","2011","30","9","2461","","10.1021/om2002014","","","0.71073","MoKα","","0.0391","0.0319","","","0.0765","0.0796","","","","","","1.051","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064594","9.3115","0.0004","9.8585","0.0004","11.8692","0.0005","114.377","0.001","95.598","0.001","110.56","0.001","890.86","0.07","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H26 Fe2 N4 O2 P2 S4 -","- C40 H26 Fe2 N4 O2 P2 S4 -","- C40 H26 Fe2 N4 O2 P2 S4 -","1","0.5","","Kling, Christian; Leusser, Dirk; Stey, Thomas; Stalke, Dietmar","Flexibility First—AJanus-HeadLigand in Iron Coordination","Organometallics","2011","30","9","2461","","10.1021/om2002014","","","0.71073","MoKα","","0.0372","0.0311","","","0.0777","0.0807","","","","","","1.057","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064595","28.704","0.01","13.632","0.005","26.857","0.009","90","","95.297","0.006","90","","10464","6","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Cu2 F6 N4 O2.5 -","- C60 H52 Cu2 F6 N4 O2.5 -","- C480 H416 Cu16 F48 N32 O20 -","8","1","","Weng, Zhiqiang; Lee, Richmond; Jia, Weiguo; Yuan, Yaofeng; Wang, Wenfeng; Feng, Xue; Huang, Kuo-Wei","Cooperative Effect of Silver in Copper-Catalyzed Trifluoromethylation of Aryl Iodides Using Me3SiCF3","Organometallics","2011","30","11","3229","","10.1021/om200204y","","","0.71073","MoKα","","0.206","0.1279","","","0.3316","0.3719","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064596","29.1203","0.0013","13.5963","0.0006","27.2538","0.0012","90","","94.791","0.001","90","","10752.8","0.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Ag2 F6 N4 O2.5 -","- C60 H52 Ag2 F6 N4 O2.5 -","- C480 H416 Ag16 F48 N32 O20 -","8","1","","Weng, Zhiqiang; Lee, Richmond; Jia, Weiguo; Yuan, Yaofeng; Wang, Wenfeng; Feng, Xue; Huang, Kuo-Wei","Cooperative Effect of Silver in Copper-Catalyzed Trifluoromethylation of Aryl Iodides Using Me3SiCF3","Organometallics","2011","30","11","3229","","10.1021/om200204y","","","0.71073","MoKα","","0.1481","0.0718","","","0.1761","0.21","","","","","","0.951","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064597","9.3427","0.0011","10.7563","0.0013","12.2182","0.0015","94.31","0.002","97.304","0.002","108.196","0.002","1148.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H63 Cl N6 Si2 -","- C49 H62.998 Cl1.002 N6 Si2 -","- C49 H62.998 Cl1.002 N6 Si2 -","1","0.5","","Khan, Shabana; Sen, Sakya S.; Michel, Reent; Kratzert, Daniel; Roesky, Herbert W.; Stalke, Dietmar","Formation of a Unsymmetrical Ring System via C‒H Bond Activation of Diazobenzene by Stable N-Heterocyclic Chlorosilylene (PhC(NtBu)2SiCl)","Organometallics","2011","30","10","2643","","10.1021/om200207v","","","0.71073","MoKα","","0.0646","0.0611","","","0.1343","0.1357","","","","","","1.196","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064598","23.519","0.003","23.567","0.003","21.497","0.003","90","","107.949","0.003","90","","11335","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","NiI2(CNArDipp2)2","","","- C62 H74 I2 N2 Ni -","- C62 H74 I2 N2 Ni -","- C496 H592 I16 N16 Ni8 -","8","2","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0865","0.0526","","","0.0796","0.0901","","","","","","1.048","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064599","12.289","0.005","12.849","0.005","21.617","0.005","79.19","0.005","78.022","0.005","71.541","0.005","3139.8","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ni(COD)(CNArDipp)2","","","- C74 H96 N2 Ni O -","- C74 H96 N2 Ni O -","- C148 H192 N4 Ni2 O2 -","2","1","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0921","0.051","","","0.1087","0.1279","","","","","","1.034","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064600","12.8966","0.0017","16.2369","0.0019","44.127","0.006","90","","91.002","0.01","90","","9239","2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Ni(CNArDipp)3","","","- C109 H130 N4 Ni -","- C109 H130 N4 Ni -","- C436 H520 N16 Ni4 -","4","2","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","1.54184","CuKα","","0.0661","0.0532","","","0.1185","0.1258","","","","","","1.012","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064601","13.071","0.005","15.417","0.005","31.936","0.005","90","0.005","90","0.005","90","0.005","6436","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","NiCl(PhCH2C=NArDipp2)(CNArDipp2)","","","- C73 H91 Cl N2 Ni O -","- C73 H91 Cl N2 Ni O -","- C292 H364 Cl4 N8 Ni4 O4 -","4","1","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0568","0.0521","","","0.143","0.1472","","","","","","1.037","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064602","16.7638","0.0009","18.5224","0.001","19.1714","0.0011","90","","90","","90","","5952.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","'NiCl((p-MeC6H4)C=NArDipp2)(CNArDipp2)","","","- C69 H81 Cl N2 Ni -","- C69 H81 Cl N2 Ni -","- C276 H324 Cl4 N8 Ni4 -","4","1","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0627","0.0476","","","0.1142","0.1272","","","","","","1.027","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064603","14.8071","0.0015","26.132","0.003","17.9874","0.0018","90","","98.904","0.005","90","","6876.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NiCl(MeC=NArDipp2)(CNArDipp2)","","","- C71 H94 I N2 Ni O2 -","- C71 H94 I N2 Ni O2 -","- C284 H376 I4 N8 Ni4 O8 -","4","1","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","1.54178","CuKα","","0.0385","0.035","","","0.0951","0.0979","","","","","","1.026","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064604","21.674","0.004","16.177","0.003","28.272","0.005","90","","103.25","0.003","90","","9649","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[TlNi(CNArDipp)3]OTf","","","- C108 H127 F3 N3 Ni O3 S Tl -","- C108 H127 F3 N3 Ni O3 S Tl -","- C432 H508 F12 N12 Ni4 O12 S4 Tl4 -","4","1","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0487","0.0389","","","0.0921","0.0968","","","","","","1.05","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064605","18.6377","0.0008","17.1206","0.0008","20.4934","0.0009","90","","113.864","0.001","90","","5980.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NiCl(CHCl2)(CNArDipp2)2","","","- C66 H78 Cl3 N2 Ni -","- C66 H78 Cl3 N2 Ni -","- C264 H312 Cl12 N8 Ni4 -","4","1","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0466","0.0389","","","0.0984","0.105","","","","","","1.037","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064606","19.9573","0.0008","19.9573","0.0008","18.9437","0.0008","90","","90","","90","","7545.2","0.5","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","(mu-P(iPr)2)2[NiCl(CNArDipp2)]2","","","- C81 H110 Cl2 N2 Ni2 P2 -","- C74 H102 Cl2 N2 Ni2 P2 -","- C296 H408 Cl8 N8 Ni8 P8 -","4","0.5","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0666","0.0626","","","0.1865","0.1893","","","","","","1.041","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064607","16.8173","0.0002","25.9214","0.0002","19.2952","0.0002","90","","110.02","0.001","90","","7903.05","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H79 As F6 P4 Ru2 -","- C98 H79 As F6 P4 Ru2 -","- C392 H316 As4 F24 P16 Ru8 -","4","1","","Bruce, Michael I.; Burgun, Alexandre; Gendron, Frédéric; Grelaud, Guillaume; Halet, Jean-François; Skelton, Brian W.","Oxidative Dimerization of Arylalkynyl‒Ruthenium Complexes","Organometallics","2011","30","10","2861","","10.1021/om200213z","","","1.54184","CuKα","","0.0469","0.035","","","0.0881","0.0934","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064608","16.8088","0.0004","25.8165","0.0009","19.2865","0.0007","90","","110.096","0.003","90","","7859.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H79 F6 P5 Ru2 -","- C98 H79 F6 P5 Ru2 -","- C392 H316 F24 P20 Ru8 -","4","1","","Bruce, Michael I.; Burgun, Alexandre; Gendron, Frédéric; Grelaud, Guillaume; Halet, Jean-François; Skelton, Brian W.","Oxidative Dimerization of Arylalkynyl‒Ruthenium Complexes","Organometallics","2011","30","10","2861","","10.1021/om200213z","","","1.54184","CuKα","","0.0932","0.0537","","","0.1319","0.1469","","","","","","0.978","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064609","14.6343","0.0007","15.4996","0.0009","22.1769","0.0012","90.47","0.004","108.805","0.005","99.449","0.004","4687.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100.8 H85.6 As2 Cl5.6 F12 P4 Ru2 -","- C100.777 H85.554 As2 Cl5.554 F12 P4 Ru2 -","- C201.554 H171.108 As4 Cl11.108 F24 P8 Ru4 -","2","1","","Bruce, Michael I.; Burgun, Alexandre; Gendron, Frédéric; Grelaud, Guillaume; Halet, Jean-François; Skelton, Brian W.","Oxidative Dimerization of Arylalkynyl‒Ruthenium Complexes","Organometallics","2011","30","10","2861","","10.1021/om200213z","","","0.71073","MoKα","","0.1499","0.0613","","","0.1219","0.1419","","","","","","0.834","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064610","23.8171","0.0008","15.4048","0.0005","30.3241","0.0009","90","","111.627","0.003","90","","10342.6","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113.9 H100.12 As2 Cl4.44 F12 O P4 Ru2 -","- C113.91 H100.128 As2 Cl4.436 F12 O P4 Ru2 -","- C455.64 H400.512 As8 Cl17.744 F48 O4 P16 Ru8 -","4","1","","Bruce, Michael I.; Burgun, Alexandre; Gendron, Frédéric; Grelaud, Guillaume; Halet, Jean-François; Skelton, Brian W.","Oxidative Dimerization of Arylalkynyl‒Ruthenium Complexes","Organometallics","2011","30","10","2861","","10.1021/om200213z","","","0.71073","MoKα","","0.1026","0.056","","","0.1507","0.1597","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064611","8.7429","0.0002","8.8365","0.0002","13.2645","0.0004","108.079","0.001","105.66","0.001","92.53","0.001","928.81","0.04","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 B2 Fe N2 -","- C20 H26 B2 Fe N2 -","- C40 H52 B4 Fe2 N4 -","2","1","","Bauer, Florian; Braunschweig, Holger; Gruss, Katrin; Kupfer, Thomas","Diboration of Dialkynes with [2]Boraferrocenophanes","Organometallics","2011","30","10","2869","","10.1021/om200214w","","","0.71073","MoKα","","0.028","0.0268","","","0.0693","0.0701","","","","","","1.053","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064612","20.9288","0.0007","16.8368","0.0005","25.5324","0.0008","90","","113.879","0.001","90","","8226.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 B2 Fe N2 P2 Pt -","- C42 H60 B2 Fe N2 P2 Pt -","- C336 H480 B16 Fe8 N16 P16 Pt8 -","8","2","","Bauer, Florian; Braunschweig, Holger; Gruss, Katrin; Kupfer, Thomas","Diboration of Dialkynes with [2]Boraferrocenophanes","Organometallics","2011","30","10","2869","","10.1021/om200214w","","","0.71073","MoKα","","0.0457","0.024","","","0.0459","0.0546","","","","","","1.122","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064613","14.181","0.003","11.478","0.002","21.343","0.006","90","","101.311","0.005","90","","3406.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H52 P2 Pt Si2 -","- C28 H52 P2 Pt Si2 -","- C112 H208 P8 Pt4 Si8 -","4","1","","Bauer, Florian; Braunschweig, Holger; Gruss, Katrin; Kupfer, Thomas","Diboration of Dialkynes with [2]Boraferrocenophanes","Organometallics","2011","30","10","2869","","10.1021/om200214w","","","0.71073","MoKα","","0.0418","0.0333","","","0.0818","0.0859","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064614","16.623","0.004","13.633","0.003","19.673","0.004","90","","90.927","0.007","90","","4457.7","1.7","174","2","174","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H70 P4 Pt2 -","- C40 H70 P4 Pt2 -","- C160 H280 P16 Pt8 -","4","0.5","","Bauer, Florian; Braunschweig, Holger; Gruss, Katrin; Kupfer, Thomas","Diboration of Dialkynes with [2]Boraferrocenophanes","Organometallics","2011","30","10","2869","","10.1021/om200214w","","","0.71073","MoKα","","0.0331","0.0291","","","0.0749","0.0833","","","","","","1.119","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064615","12.97","0.002","14.376","0.002","14.832","0.002","98.219","0.002","112.305","0.002","110.796","0.002","2265.3","0.6","167","2","167","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H62 B4 Fe2 N4 Si2 -","- C44 H62 B4 Fe2 N4 Si2 -","- C88 H124 B8 Fe4 N8 Si4 -","2","1","","Bauer, Florian; Braunschweig, Holger; Gruss, Katrin; Kupfer, Thomas","Diboration of Dialkynes with [2]Boraferrocenophanes","Organometallics","2011","30","10","2869","","10.1021/om200214w","","","0.71073","MoKα","","0.0815","0.0651","","","0.1428","0.1511","","","","","","1.201","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064616","16.314","0.0004","16.3154","0.0004","17.0564","0.0005","90","","90","","90","","4539.9","0.2","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 B F4 Ir N2 O2 P2 S2 -","- C46 H52 B F4 Ir N2 O2 P2 S2 -","- C184 H208 B4 F16 Ir4 N8 O8 P8 S8 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C.; Riera, Antoni; Verdaguer, Xavier","N-Benzyl-N-phosphino-tert-butylsulfinamide and Its Coordination Modes with Ir(I), Cu(I), Pd(II), and Pt(II): P,S or P,O?","Organometallics","2011","30","11","3119","","10.1021/om200217j","","","0.71073","MoKα","","0.0493","0.0402","","","0.0832","0.0861","","","","","","1.001","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064617","11.0853","0.0006","17.8036","0.0011","26.0621","0.0013","90","","90","","90","","5143.6","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C48 H53 Cl3 Cu F3 N2 O5 P2 S3 -","- C48 H53 Cl3 Cu F3 N2 O5 P2 S3 -","- C192 H212 Cl12 Cu4 F12 N8 O20 P8 S12 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C.; Riera, Antoni; Verdaguer, Xavier","N-Benzyl-N-phosphino-tert-butylsulfinamide and Its Coordination Modes with Ir(I), Cu(I), Pd(II), and Pt(II): P,S or P,O?","Organometallics","2011","30","11","3119","","10.1021/om200217j","","","0.71073","MoKα","","0.0629","0.0437","","","0.1002","0.1095","","","","","","0.995","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064618","8.7583","0.0009","19.3409","0.0019","19.5065","0.0019","90","","90","","90","","3304.3","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl8 N O P Pt S -","- C25 H28 Cl8 N O P Pt S -","- C100 H112 Cl32 N4 O4 P4 Pt4 S4 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C.; Riera, Antoni; Verdaguer, Xavier","N-Benzyl-N-phosphino-tert-butylsulfinamide and Its Coordination Modes with Ir(I), Cu(I), Pd(II), and Pt(II): P,S or P,O?","Organometallics","2011","30","11","3119","","10.1021/om200217j","","","0.71073","MoKα","","0.0276","0.0254","","","0.0561","0.0582","","","","","","1.026","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064619","11.8237","0.0017","14.436","0.002","14.808","0.002","90","","90","","90","","2527.5","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl N O P Pd S -","- C26 H31 Cl N O P Pd S -","- C104 H124 Cl4 N4 O4 P4 Pd4 S4 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C.; Riera, Antoni; Verdaguer, Xavier","N-Benzyl-N-phosphino-tert-butylsulfinamide and Its Coordination Modes with Ir(I), Cu(I), Pd(II), and Pt(II): P,S or P,O?","Organometallics","2011","30","11","3119","","10.1021/om200217j","","","0.71073","MoKα","","0.0368","0.0351","","","0.0906","0.092","","","","","","1.079","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064620","11.314","0.003","11.314","0.003","17.897","0.004","90","","90","","120","","1984","0.9","291","2","291","2","","","","","","","synthesis as described","6","P 31 2 1","P 31 2""","152","","","","- C32 H30 Cu Fe2 N2 O2 -","- C32 H30 Cu Fe2 N2 O2 -","- C96 H90 Cu3 Fe6 N6 O6 -","3","0.5","","Zhang, Xiang; Luck, Rudy L.; Fang, Shiyue","Ferrosalen and Ferrosalen-Type Ligands: Structural Modulation and Applications in Asymmetric Catalysis","Organometallics","2011","30","9","2609","","10.1021/om2002206","","x-ray","0.71073","MoKα","","0.1393","0.0554","","","0.0971","0.1175","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064621","6.181","0.0009","24.185","0.004","9.2726","0.0014","90","","104.549","0.004","90","","1341.7","0.4","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 Ni P -","- C11 H23 Ni P -","- C44 H92 Ni4 P4 -","4","1","","Wu, Jianguo; Hazari, Nilay; Incarvito, Christopher D.","Synthesis, Properties, and Reactivity with Carbon Dioxide of (allyl)2Ni(L) Complexes","Organometallics","2011","30","11","3142","","10.1021/om2002238","","","0.71075","MoKα","","","0.0406","","","","0.0722","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064622","7.9014","0.0011","10.8585","0.0015","13.7157","0.0019","75.237","0.003","76.793","0.003","76.641","0.003","1089","0.3","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 Ni P -","- C26 H29 Ni P -","- C52 H58 Ni2 P2 -","2","1","","Wu, Jianguo; Hazari, Nilay; Incarvito, Christopher D.","Synthesis, Properties, and Reactivity with Carbon Dioxide of (allyl)2Ni(L) Complexes","Organometallics","2011","30","11","3142","","10.1021/om2002238","","","0.71075","MoKα","","","0.0451","","","","0.088","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064623","14.0199","0.0009","12.5264","0.0008","19.4507","0.0013","90","","106.244","0.0015","90","","3279.5","0.4","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 N2 Ni -","- C35 H50 N2 Ni -","- C140 H200 N8 Ni4 -","4","1","","Wu, Jianguo; Hazari, Nilay; Incarvito, Christopher D.","Synthesis, Properties, and Reactivity with Carbon Dioxide of (allyl)2Ni(L) Complexes","Organometallics","2011","30","11","3142","","10.1021/om2002238","","","0.71075","MoKα","","","0.0611","","","","0.1369","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064624","10.823","0.002","16.161","0.003","18.61","0.003","90","","97.284","0.005","90","","3228.8","1","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 N2 Ni -","- C33 H46 N2 Ni -","- C132 H184 N8 Ni4 -","4","1","","Wu, Jianguo; Hazari, Nilay; Incarvito, Christopher D.","Synthesis, Properties, and Reactivity with Carbon Dioxide of (allyl)2Ni(L) Complexes","Organometallics","2011","30","11","3142","","10.1021/om2002238","","","0.71075","MoKα","","","0.0617","","","","0.1524","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064625","9.7202","0.0013","10.3997","0.0013","18.05","0.002","74.343","0.003","87.61","0.003","80.908","0.003","1734.8","0.4","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 N2 Ni O2 -","- C36 H50 N2 Ni O2 -","- C72 H100 N4 Ni2 O4 -","2","1","","Wu, Jianguo; Hazari, Nilay; Incarvito, Christopher D.","Synthesis, Properties, and Reactivity with Carbon Dioxide of (allyl)2Ni(L) Complexes","Organometallics","2011","30","11","3142","","10.1021/om2002238","","","0.71075","MoKα","","","0.0525","","","","0.1193","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064626","15.3842","0.0011","8.3807","0.0005","35.352","0.002","90","0.0011","97.3326","0.0011","90","0.0011","4520.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Bi Br S -","- C26 H22 Bi Br S -","- C208 H176 Bi8 Br8 S8 -","8","1","","Chen, Jing; Murafuji, Toshihiro; Tsunashima, Ryo","Insertion of Benzyne into a Bi‒S Bond: A New Synthetic Route toortho-Functionalized Bismuthanes and Its Application to the Synthesis of Dibenzothiophene","Organometallics","2011","30","17","4532","","10.1021/om200228x","","","0.7107","MoKα","","0.053","0.0396","","","0.1055","0.1258","","","","","","0.686","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064627","9.9199","0.0003","21.3484","0.0007","17.4064","0.0006","90","","102.17","0.004","90","","3603.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Mo O P2 -","- C45 H44 Mo O P2 -","- C180 H176 Mo4 O4 P8 -","4","1","","Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*)","Organometallics","2011","30","14","3763","","10.1021/om200229c","","","0.71069","MoKα","","0.0649","0.035","","","0.0664","0.0699","","","","","","0.854","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064628","12.346","0.0004","16.449","0.0005","16.04","0.0006","90","","97.22","0.0012","90","","3231.56","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Mo O P2 -","- C41 H36 Mo O P2 -","- C164 H144 Mo4 O4 P8 -","4","1","","Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*)","Organometallics","2011","30","14","3763","","10.1021/om200229c","","","0.71073","MoKα","","0.1424","0.0782","","","0.1862","0.2384","","","","","","1.048","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064629","17.151","0.005","12.436","0.005","18.564","0.005","90","0.005","108.536","0.005","90","0.005","3754","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Mo O P2 -","- C46 H46 Mo O P2 -","- C184 H184 Mo4 O4 P8 -","4","1","","Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*)","Organometallics","2011","30","14","3763","","10.1021/om200229c","","","0.71069","MoKα","","0.1024","0.0511","","","0.0834","0.0937","","","","","","0.927","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064630","17.91","0.003","8.1224","0.0007","16.471","0.002","90","","114.18","0.017","90","","2185.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Mo O2 P -","- C23 H29 Mo O2 P -","- C92 H116 Mo4 O8 P4 -","4","1","","Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*)","Organometallics","2011","30","14","3763","","10.1021/om200229c","","","0.71073","MoKα","","0.0805","0.0504","","","0.1178","0.126","","","","","","0.92","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064631","14.749","0.004","8.9958","0.0005","31.0271","0.0019","90","","90","","90","","4116.6","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Mo O P2 -","- C20 H28 Mo O P2 -","- C160 H224 Mo8 O8 P16 -","8","1","","Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*)","Organometallics","2011","30","14","3763","","10.1021/om200229c","","","0.71073","MoKα","","0.094","0.0685","","","0.1339","0.1417","","","","","","1.173","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064632","12.6102","0.0004","13.4489","0.0005","16.0881","0.0005","109.493","0.003","100.261","0.003","90.31","0.003","2524.72","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Mo O P2 -","- C25 H38 Mo O P2 -","- C100 H152 Mo4 O4 P8 -","4","2","","Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*)","Organometallics","2011","30","14","3763","","10.1021/om200229c","","","0.71069","MoKα","","0.067","0.0301","","","0.0524","0.0561","","","","","","0.787","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064633","13.1792","0.0004","13.6485","0.0004","15.4833","0.0004","73.776","0.003","80.141","0.003","82.039","0.003","2622.55","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 Mo O P2 -","- C26 H40 Mo O P2 -","- C104 H160 Mo4 O4 P8 -","4","2","","Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*)","Organometallics","2011","30","14","3763","","10.1021/om200229c","","","0.71069","MoKα","","0.0453","0.0298","","","0.0657","0.068","","","","","","0.928","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064634","13.857","0.003","14.903","0.002","15.7761","0.0017","96.164","0.008","106.077","0.014","105.134","0.017","2964.7","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Mn N O4 P -","- C31 H29 Mn N O4 P -","- C124 H116 Mn4 N4 O16 P4 -","4","2","","Rose-Munch, Françoise; Cetiner, Derya; Chavarot-Kerlidou, Murielle; Rose, Eric; Agbossou-Niedercorn, Francine; Chamoreau, Lise-Marie; Gontard, Geoffrey","Synthesis and Application in Catalysis of Planar Chiral (η5-Cyclohexadienyl)tricarbonylmanganese-Based Ligands","Organometallics","2011","30","13","3530","","10.1021/om200231p","","","0.71073","MoKα","","0.1701","0.0541","","","0.102","0.1347","","","","","","1.003","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064635","11.103","0.002","18.587","0.004","16.2684","0.0012","90","","93.953","0.009","90","","3349.3","1","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl Mn N O4 P Pd -","- C34 H34 Cl Mn N O4 P Pd -","- C136 H136 Cl4 Mn4 N4 O16 P4 Pd4 -","4","1","","Rose-Munch, Françoise; Cetiner, Derya; Chavarot-Kerlidou, Murielle; Rose, Eric; Agbossou-Niedercorn, Francine; Chamoreau, Lise-Marie; Gontard, Geoffrey","Synthesis and Application in Catalysis of Planar Chiral (η5-Cyclohexadienyl)tricarbonylmanganese-Based Ligands","Organometallics","2011","30","13","3530","","10.1021/om200231p","","","0.71073","MoKα","","0.1098","0.0434","","","0.0734","0.0866","","","","","","0.977","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064636","15.396","0.002","14.4156","0.0019","16.064","0.0011","90","","94.855","0.008","90","","3552.5","0.7","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 F6 Mn N O4 P2 Pd -","- C34 H34 F6 Mn N O4 P2 Pd -","- C136 H136 F24 Mn4 N4 O16 P8 Pd4 -","4","1","","Rose-Munch, Françoise; Cetiner, Derya; Chavarot-Kerlidou, Murielle; Rose, Eric; Agbossou-Niedercorn, Francine; Chamoreau, Lise-Marie; Gontard, Geoffrey","Synthesis and Application in Catalysis of Planar Chiral (η5-Cyclohexadienyl)tricarbonylmanganese-Based Ligands","Organometallics","2011","30","13","3530","","10.1021/om200231p","","","0.71073","MoKα","","0.0993","0.042","","","0.0887","0.109","","","","","","0.982","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064638","9.0339","0.0002","20.3717","0.0003","15.4226","0.0002","90","","100.782","0.002","90","","2788.2","0.08","130","2","130","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 N2 Ni P2 -","- C30 H44 N2 Ni P2 -","- C120 H176 N8 Ni4 P8 -","4","1","","Reyes-Sánchez, Adán; Cañavera-Buelvas, Farrah; Barrios-Francisco, Rigoberto; Cifuentes-Vaca, Olga L.; Flores-Alamo, Marcos; García, Juventino J.","Nickel-Catalyzed Transfer Semihydrogenation and Hydroamination of Aromatic Alkynes Using Amines As Hydrogen Donors","Organometallics","2011","30","12","3340","","10.1021/om200233x","","x-ray","0.71073","MoKα","","0.0439","0.0319","","","0.0741","0.0764","","","","","","0.96","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064639","9.911","0.002","16.784","0.003","22.967","0.005","90","","91.307","0.003","90","","3819.5","1.3","201","2","201","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 Cl2 Cr Li N2 O2 P -","- C35 H52 Cl2 Cr Li N2 O2 P -","- C140 H208 Cl8 Cr4 Li4 N8 O8 P4 -","4","1","","Albahily, Khalid; Licciulli, Sebastiano; Gambarotta, Sandro; Korobkov, Ilia; Chevalier, Reynald; Schuhen, Kathrine; Duchateau, Robbert","Highly Active Ethylene Oligomerization Catalysts","Organometallics","2011","30","12","3346","","10.1021/om2002359","","","0.71073","MoKα","","0.1111","0.0769","","","0.2267","0.2603","","","","","","1.037","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064640","11.552","0.003","12.374","0.003","14.246","0.003","67.528","0.004","75.972","0.005","70.253","0.004","1756","0.7","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H44 Cl2 Cr Li N2 O2.5 P -","- C28 H44 Cl2 Cr Li N2 O2.5 P -","- C56 H88 Cl4 Cr2 Li2 N4 O5 P2 -","2","1","","Albahily, Khalid; Licciulli, Sebastiano; Gambarotta, Sandro; Korobkov, Ilia; Chevalier, Reynald; Schuhen, Kathrine; Duchateau, Robbert","Highly Active Ethylene Oligomerization Catalysts","Organometallics","2011","30","12","3346","","10.1021/om2002359","","","0.71073","MoKα","","0.1597","0.0774","","","0.1621","0.1957","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064641","28.944","0.003","14.4854","0.0015","22.613","0.002","90","","128.525","0.002","90","","7417.2","1.3","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cl3 Cr2 Li N4 O8 P2 -","- C64 H80 Cl3 Cr2 Li N4 O8 P2 -","- C256 H320 Cl12 Cr8 Li4 N16 O32 P8 -","4","0.5","","Albahily, Khalid; Licciulli, Sebastiano; Gambarotta, Sandro; Korobkov, Ilia; Chevalier, Reynald; Schuhen, Kathrine; Duchateau, Robbert","Highly Active Ethylene Oligomerization Catalysts","Organometallics","2011","30","12","3346","","10.1021/om2002359","","","0.71073","MoKα","","0.1446","0.0738","","","0.1651","0.198","","","","","","1.011","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064642","12.2348","0.0019","12.872","0.002","18.296","0.003","71.893","0.003","85.406","0.003","87.256","0.003","2729.1","0.7","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H72 Cl5 Cr2 Li N4 O2 P2 -","- C48 H72 Cl5 Cr2 Li N4 O2 P2 -","- C96 H144 Cl10 Cr4 Li2 N8 O4 P4 -","2","1","","Albahily, Khalid; Licciulli, Sebastiano; Gambarotta, Sandro; Korobkov, Ilia; Chevalier, Reynald; Schuhen, Kathrine; Duchateau, Robbert","Highly Active Ethylene Oligomerization Catalysts","Organometallics","2011","30","12","3346","","10.1021/om2002359","","","0.71073","MoKα","","0.2432","0.0834","","","0.1786","0.2527","","","","","","1.036","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064643","13.8861","0.0012","23.091","0.002","18.7679","0.0016","90","","105.589","0.002","90","","5796.4","0.9","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H82 Al2 Cl Cr N4 P2 -","- C53 H82 Al2 Cl Cr N4 P2 -","- C212 H328 Al8 Cl4 Cr4 N16 P8 -","4","0.5","","Albahily, Khalid; Licciulli, Sebastiano; Gambarotta, Sandro; Korobkov, Ilia; Chevalier, Reynald; Schuhen, Kathrine; Duchateau, Robbert","Highly Active Ethylene Oligomerization Catalysts","Organometallics","2011","30","12","3346","","10.1021/om2002359","","","0.71073","MoKα","","0.1508","0.0866","","","0.2002","0.2388","","","","","","1.082","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064644","9.9609","0.0003","19.8662","0.0006","32.3238","0.001","90","","90","","90","","6396.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C66 H4 N2 O -","- C66 H4 N2 O -","- C528 H32 N16 O8 -","8","1","","Ramírez-Monroy, Armando; Swager, Timothy M.","Metal Chelates Based on Isoxazoline[60]fullerenes","Organometallics","2011","30","9","2464","","10.1021/om200238a","","","1.54178","CuKα","","0.0696","0.0524","","","0.1333","0.1459","","","","","","1.039","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064645","43.0862","0.0007","9.9474","0.0002","17.3483","0.0003","90","","92.984","0.001","90","","7425.3","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H7 N O4.75 -","- C68 H7 N O4.752 -","- C544 H56 N8 O38.016 -","8","1","","Ramírez-Monroy, Armando; Swager, Timothy M.","Metal Chelates Based on Isoxazoline[60]fullerenes","Organometallics","2011","30","9","2464","","10.1021/om200238a","","","1.54178","CuKα","","0.0538","0.0455","","","0.1157","0.122","","","","","","1.063","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064646","10.033","0.0002","19.3319","0.0003","23.7425","0.0004","105.973","0.001","98.649","0.001","99.803","0.001","4266.99","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79.75 H14 N2 O2 Pt -","- C79.75 H14 N2 O2 Pt -","- C319 H56 N8 O8 Pt4 -","4","2","","Ramírez-Monroy, Armando; Swager, Timothy M.","Metal Chelates Based on Isoxazoline[60]fullerenes","Organometallics","2011","30","9","2464","","10.1021/om200238a","","","1.54178","CuKα","","0.0623","0.0459","","","0.1151","0.1247","","","","","","1.024","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064647","52.948","0.016","12.536","0.004","8.677","0.003","90","","90","","90","","5759","3","90","","90","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C36 H38 Zr -","- C36 H38 Zr -","- C288 H304 Zr8 -","8","0.5","","Suzuki, Noriyuki; Ohara, Nozomu; Nishimura, Kosuke; Sakaguchi, Yoshio; Nanbu, Shinkoh; Fukui, Sohei; Nagao, Hirotaka; Masuyama, Yoshiro","Characterization of theEIsomer of Tetrasubstituted [5]Cumulene and Trapping of theZIsomer as a Zirconocene Complex","Organometallics","2011","30","13","3544","","10.1021/om2002427","","","0.7107","MoKα","","","0.0536","","","","0.1376","","","","","","1.042","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064648","12.904","0.012","5.978","0.005","13.979","0.013","90","","112.655","0.004","90","","995.1","1.6","93.1","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 -","- C26 H28 -","- C52 H56 -","2","0.5","","Suzuki, Noriyuki; Ohara, Nozomu; Nishimura, Kosuke; Sakaguchi, Yoshio; Nanbu, Shinkoh; Fukui, Sohei; Nagao, Hirotaka; Masuyama, Yoshiro","Characterization of theEIsomer of Tetrasubstituted [5]Cumulene and Trapping of theZIsomer as a Zirconocene Complex","Organometallics","2011","30","13","3544","","10.1021/om2002427","","","0.7107","MoKα","","","0.0589","","","","0.1822","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064649","15.9497","0.0006","15.6097","0.0008","19.1905","0.0009","90","","90","","90","","4777.9","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22.77 H27.31 Cl2.23 Cr N2 O P -","- C22.77 H27.31 Cl2.23 Cr N2 O P -","- C182.16 H218.48 Cl17.84 Cr8 N16 O8 P8 -","8","1","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","x-ray","0.71073","MoKα","","0.1182","0.0681","","","0.1475","0.1628","","","","","","1.042","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064650","9.7268","0.0006","11.9913","0.0008","12.0343","0.0007","66.117","0.004","85.239","0.004","76.112","0.004","1245.78","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.9 H51.7 Al2 Cl6.1 Cr2 N4 P2 -","- C41.9 H51.7 Al2 Cl6.1 Cr2 N4 P2 -","- C41.9 H51.7 Al2 Cl6.1 Cr2 N4 P2 -","1","0.5","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","x-ray","0.71073","MoKα","","0.0948","0.058","","","0.1558","0.1741","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064651","11.8957","0.0007","12.4712","0.0009","15.7046","0.0008","90","","120.514","0.003","90","","2007.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl2 Cr N2 P -","- C20 H22 Cl2 Cr N2 P -","- C80 H88 Cl8 Cr4 N8 P4 -","4","1","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","x-ray","0.71073","MoKα","","0.0688","0.046","","","0.1149","0.1229","","","","","","1.072","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064652","12.6248","0.0012","14.1844","0.001","16.479","0.0016","90","","90.715","0.003","90","","2950.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C36 H34 Al2 Cl11 Cr2 N4 P2 -","- C36 H34 Al2 Cl11 Cr2 N4 P2 -","- C72 H68 Al4 Cl22 Cr4 N8 P4 -","2","0.5","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","x-ray","0.71073","MoKα","","0.1248","0.0858","","","0.2287","0.2447","","","","","","1.095","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064653","15.9451","0.0013","15.6017","0.0014","19.1856","0.0018","90","","90","","90","","4772.8","0.7","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22.5 H26.5 Cl2.5 Cr N2 O P -","- C22.5 H26.5 Cl2.5 Cr N2 O P -","- C180 H212 Cl20 Cr8 N16 O8 P8 -","8","1","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","","0.71073","MoKα","","0.1409","0.1117","","","0.2388","0.255","","","","","","1.129","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064654","8.422","0.0003","11.5619","0.0004","14.6611","0.0005","69.331","0.001","74.073","0.001","85.303","0.001","1284.27","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 N5 O2 P Pd -","- C26 H24 N5 O2 P Pd -","- C52 H48 N10 O4 P2 Pd2 -","2","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; García, Joaquín; Sánchez, Gregorio; Sehnal, Petr; De Ornellas, Sara; Williams, Thomas J.; Fairlamb, Ian J. S.","Synthesis and Characterization of Imine-Palladacycles Containing Imidate “Pseudohalide” Ligands: Efficient Suzuki‒Miyaura Cross-Coupling Precatalysts and Their Activation To Give Pd0LnSpecies (L = Phosphine)","Organometallics","2011","30","19","5095","","10.1021/om2002443","","","0.71073","MoKα","","0.0318","0.0299","","","0.0754","0.0774","","","","","","1.045","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064655","11.3096","0.0004","12.4295","0.0005","23.38","0.0009","90","","94.177","0.001","90","","3277.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 N2 O5 P Pd -","- C38 H33 N2 O5 P Pd -","- C152 H132 N8 O20 P4 Pd4 -","4","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; García, Joaquín; Sánchez, Gregorio; Sehnal, Petr; De Ornellas, Sara; Williams, Thomas J.; Fairlamb, Ian J. S.","Synthesis and Characterization of Imine-Palladacycles Containing Imidate “Pseudohalide” Ligands: Efficient Suzuki‒Miyaura Cross-Coupling Precatalysts and Their Activation To Give Pd0LnSpecies (L = Phosphine)","Organometallics","2011","30","19","5095","","10.1021/om2002443","","","0.71073","MoKα","","0.0319","0.0295","","","0.0757","0.0777","","","","","","0.889","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064656","15.8215","0.0008","11.6601","0.0006","22.623","0.0011","90","","97.575","0.001","90","","4137.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Br4 N4 O6 Pd2 -","- C40 H32 Br4 N4 O6 Pd2 -","- C160 H128 Br16 N16 O24 Pd8 -","4","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; García, Joaquín; Sánchez, Gregorio; Sehnal, Petr; De Ornellas, Sara; Williams, Thomas J.; Fairlamb, Ian J. S.","Synthesis and Characterization of Imine-Palladacycles Containing Imidate “Pseudohalide” Ligands: Efficient Suzuki‒Miyaura Cross-Coupling Precatalysts and Their Activation To Give Pd0LnSpecies (L = Phosphine)","Organometallics","2011","30","19","5095","","10.1021/om2002443","","","0.71073","MoKα","","0.031","0.0259","","","0.0648","0.0669","","","","","","1.026","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064657","16.0677","0.001","12.5702","0.0008","18.8993","0.0011","90","","94.35","0.001","90","","3806.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C73 H74 Cl2 N8 O4 Pd4 -","- C73 H74 Cl2 N8 O4 Pd4 -","- C146 H148 Cl4 N16 O8 Pd8 -","2","0.5","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; García, Joaquín; Sánchez, Gregorio; Sehnal, Petr; De Ornellas, Sara; Williams, Thomas J.; Fairlamb, Ian J. S.","Synthesis and Characterization of Imine-Palladacycles Containing Imidate “Pseudohalide” Ligands: Efficient Suzuki‒Miyaura Cross-Coupling Precatalysts and Their Activation To Give Pd0LnSpecies (L = Phosphine)","Organometallics","2011","30","19","5095","","10.1021/om2002443","","","0.71073","MoKα","","0.0873","0.0806","","","0.2419","0.2488","","","","","","1.08","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064658","9.9174","0.0006","29.5739","0.0018","9.6842","0.0006","90","","103.483","0.001","90","","2762.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 N O2 P Pd -","- C33 H28 N O2 P Pd -","- C132 H112 N4 O8 P4 Pd4 -","4","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; García, Joaquín; Sánchez, Gregorio; Sehnal, Petr; De Ornellas, Sara; Williams, Thomas J.; Fairlamb, Ian J. S.","Synthesis and Characterization of Imine-Palladacycles Containing Imidate “Pseudohalide” Ligands: Efficient Suzuki‒Miyaura Cross-Coupling Precatalysts and Their Activation To Give Pd0LnSpecies (L = Phosphine)","Organometallics","2011","30","19","5095","","10.1021/om2002443","","","0.71073","MoKα","","0.0427","0.0384","","","0.0912","0.0987","","","","","","1.081","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064659","10.4773","0.0011","12.4044","0.0014","18.533","0.002","90","","100.85","0.002","90","","2365.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H35 B9 N2 Zr -","- C17.5 H31 B9 N2 Zr -","- C70 H124 B36 N8 Zr4 -","4","1","","Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei","Facile Synthesis ofansa-Zirconocenes Incorporating a Linked Dicarbollyl Ligand via Direct Deboration of Zirconocene Carboranyl Complexes","Organometallics","2011","30","13","3449","","10.1021/om200245g","","","0.71073","MoKα","","0.0856","0.0517","","","0.135","0.1511","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064660","29.602","0.004","15.3979","0.0018","20.41","0.002","90","","109.55","0.002","90","","8766.7","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H64 B18 Li2 N4 Zr2 -","- C30 H64 B18 Li2 N4 Zr2 -","- C240 H512 B144 Li16 N32 Zr16 -","8","1","","Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei","Facile Synthesis ofansa-Zirconocenes Incorporating a Linked Dicarbollyl Ligand via Direct Deboration of Zirconocene Carboranyl Complexes","Organometallics","2011","30","13","3449","","10.1021/om200245g","","","0.71073","MoKα","","0.1126","0.0694","","","0.1675","0.1868","","","","","","1.041","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064661","16.032","0.003","8.8154","0.0015","17.216","0.003","90","","105.816","0.003","90","","2341","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 B9 N2 Zr -","- C19 H35 B9 N2 Zr -","- C76 H140 B36 N8 Zr4 -","4","1","","Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei","Facile Synthesis ofansa-Zirconocenes Incorporating a Linked Dicarbollyl Ligand via Direct Deboration of Zirconocene Carboranyl Complexes","Organometallics","2011","30","13","3449","","10.1021/om200245g","","","0.71073","MoKα","","0.0911","0.0488","","","0.1102","0.1346","","","","","","1.03","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064662","12.5973","0.0007","10.542","0.0003","15.9021","0.0009","90","","110.575","0.002","90","","1977.1","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl N3 Ni -","- C21 H24 Cl N3 Ni -","- C84 H96 Cl4 N12 Ni4 -","4","1","","Oertel, Anna Magdalena; Freudenreich, Julien; Gein, Jordan; Ritleng, Vincent; Veiros, Luis F.; Chetcuti, Michael J.","Intramolecular Nitrile C‒H Bond Activation in Nickel NHC Complexes: A Route to New Nickelacycles","Organometallics","2011","30","12","3400","","10.1021/om200246k","","","0.71073","MoKα","","0.0828","0.0476","","","0.1243","0.1504","","","","","","1.062","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064663","9.1418","0.0004","17.7148","0.0008","9.211","0.0003","90","","109.206","0.002","90","","1408.65","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 I N3 Ni -","- C12 H14 I N3 Ni -","- C48 H56 I4 N12 Ni4 -","4","2","","Oertel, Anna Magdalena; Freudenreich, Julien; Gein, Jordan; Ritleng, Vincent; Veiros, Luis F.; Chetcuti, Michael J.","Intramolecular Nitrile C‒H Bond Activation in Nickel NHC Complexes: A Route to New Nickelacycles","Organometallics","2011","30","12","3400","","10.1021/om200246k","","","0.71073","MoKα","","0.0547","0.0394","","","0.1004","0.1213","","","","","","1.078","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064664","11.6933","0.0005","10.5431","0.0005","16.945","0.0008","90","","107.026","0.002","90","","1997.48","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N3 Ni -","- C23 H27 N3 Ni -","- C92 H108 N12 Ni4 -","4","1","","Oertel, Anna Magdalena; Freudenreich, Julien; Gein, Jordan; Ritleng, Vincent; Veiros, Luis F.; Chetcuti, Michael J.","Intramolecular Nitrile C‒H Bond Activation in Nickel NHC Complexes: A Route to New Nickelacycles","Organometallics","2011","30","12","3400","","10.1021/om200246k","","","0.71073","MoKα","","0.0876","0.0713","","","0.1913","0.2069","","","","","","1.041","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064665","13.7797","0.0006","9.5135","0.0005","16.2298","0.0006","90","","117.249","0.003","90","","1891.5","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 Ni -","- C21 H23 N3 Ni -","- C84 H92 N12 Ni4 -","4","1","","Oertel, Anna Magdalena; Freudenreich, Julien; Gein, Jordan; Ritleng, Vincent; Veiros, Luis F.; Chetcuti, Michael J.","Intramolecular Nitrile C‒H Bond Activation in Nickel NHC Complexes: A Route to New Nickelacycles","Organometallics","2011","30","12","3400","","10.1021/om200246k","","","0.71073","MoKα","","0.0446","0.034","","","0.0973","0.1093","","","","","","1.176","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064666","10.061","0.002","11.892","0.003","13.945","0.003","90","","102.126","0.006","90","","1631.2","0.6","296.1","","296.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H20 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","","Higuchi, Yoshihiro; Atobe, Shingo; Tanaka, Michiru; Kamiya, Ikuyo; Yamamoto, Takuya; Nomoto, Akihiro; Sonoda, Motohiro; Ogawa, Akiya","Cobalt-Catalyzed Thiolative Lactonization of Alkynes with Double CO Incorporation","Organometallics","2011","30","17","4539","","10.1021/om200248f","","","0.71075","MoKα","","","0.1292","","","","0.1304","","","","","","1.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064667","32.657","0.002","8.355","0.0005","30.7767","0.0019","90","","90.571","0.002","90","","8397","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H41 F12 N5 O3 P2 Pt -","- C36 H41 F12 N5 O3 P2 Pt -","- C288 H328 F96 N40 O24 P16 Pt8 -","8","1","","Lee, Chen-Shiang; Zhuang, Rui Rui; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B.","Size-Selective Vapochromic Platinum(II) Complex with a Sterically Demanding Pincer-Type N-Heterocyclic Carbene Ligand","Organometallics","2011","30","14","3897","","10.1021/om200253f","","","0.71073","MoKα","","0.0749","0.0695","","","0.1473","0.1502","","","","","","0.952","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064668","42.657","0.006","21.943","0.002","16.483","0.0018","90","","94.191","0.004","90","","15387","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H30 Cl F12 N5 O P2 Pt -","- C30.5 H30 Cl F12 N5 O P2 Pt -","- C488 H480 Cl16 F192 N80 O16 P32 Pt16 -","16","2","","Lee, Chen-Shiang; Zhuang, Rui Rui; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B.","Size-Selective Vapochromic Platinum(II) Complex with a Sterically Demanding Pincer-Type N-Heterocyclic Carbene Ligand","Organometallics","2011","30","14","3897","","10.1021/om200253f","","","0.71073","MoKα","","0.1198","0.0647","","","0.1506","0.1712","","","","","","0.957","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064669","28.281","0.017","14.886","0.011","30.24","0.02","90","","90","","90","","12731","15","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 N5 O2 P Pt -","- C30 H30 F6 N5 O2 P Pt -","- C480 H480 F96 N80 O32 P16 Pt16 -","16","2","","Lee, Chen-Shiang; Zhuang, Rui Rui; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B.","Size-Selective Vapochromic Platinum(II) Complex with a Sterically Demanding Pincer-Type N-Heterocyclic Carbene Ligand","Organometallics","2011","30","14","3897","","10.1021/om200253f","","","0.71073","MoKα","","0.1648","0.0573","","","0.1021","0.1315","","","","","","1.038","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064670","9.88","0.0011","16.1133","0.0017","14.4549","0.0015","90","","100.091","0.002","90","","2265.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Br4 Cl4 O4 P2 Ru2 -","- C42 H34 Br4 Cl4 O4 P2 Ru2 -","- C84 H68 Br8 Cl8 O8 P4 Ru4 -","2","0.5","","Tan, Sze Tat; Kee, Jun Wei; Fan, Wai Yip","Catalytic Hydrogen Generation from the Hydrolysis of Silanes by Ruthenium Complexes","Organometallics","2011","30","15","4008","","10.1021/om200256h","","","0.71073","MoKα","","0.0657","0.0629","","","0.1165","0.1174","","","","","","1.382","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064671","28.301","0.008","11.096","0.002","24.71","0.005","90","","94.02","0.03","90","","7741","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H28 F6 Ge -","- C46 H28 F6 Ge -","- C368 H224 F48 Ge8 -","8","1","","Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet","Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission","Organometallics","2011","30","13","3559","","10.1021/om200259n","","","0.71073","MoKα","","0.0726","0.042","","","0.1092","0.1459","","","","","","1.115","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064672","11.1656","0.0001","11.1669","0.0001","16.1687","0.0002","93.042","0.001","108.81","0.001","111.556","0.001","1740.84","0.04","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C92 H68 Ge2 -","- C92 H68 Ge2 -","- C92 H68 Ge2 -","1","0.5","","Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet","Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission","Organometallics","2011","30","13","3559","","10.1021/om200259n","","","0.71073","MoKα","","0.0487","0.0335","","0.1243","0.0965","0.1243","","","","","","1","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064673","13.2433","0.0001","18.073","0.0002","16.1476","0.0002","90","","92.425","0.001","90","","3861.4","0.07","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Ge O3 -","- C50 H42 Ge O3 -","- C200 H168 Ge4 O12 -","4","1","","Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet","Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission","Organometallics","2011","30","13","3559","","10.1021/om200259n","","","0.71073","MoKα","","0.0718","0.0434","","0.1537","0.1206","0.1537","","","","","","0.9972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064674","24.2228","0.0002","10.2163","0.0001","16.7527","0.0002","90","","98.971","0.001","90","","4095.03","0.07","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H38 Ge O2 -","- C56 H38 Ge O2 -","- C224 H152 Ge4 O8 -","4","0.5","","Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet","Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission","Organometallics","2011","30","13","3559","","10.1021/om200259n","","","0.71073","MoKα","","0.0397","0.0314","","0.0827","0.0756","0.0827","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064675","10.555","0.002","11.095","0.002","15.68","0.003","92.23","0.03","104.77","0.03","113.52","0.03","1607.4","0.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H28 F2 Ge -","- C44 H28 F2 Ge -","- C88 H56 F4 Ge2 -","2","1","","Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet","Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission","Organometallics","2011","30","13","3559","","10.1021/om200259n","","","0.71073","MoKα","","0.0477","0.0395","","0.1121","0.1092","0.1121","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064676","9.4478","0.0001","18.0622","0.0002","18.7168","0.0002","90","","101.252","0.001","90","","3132.59","0.06","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 Ge S2 -","- C40 H26 Ge S2 -","- C160 H104 Ge4 S8 -","4","1","","Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet","Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission","Organometallics","2011","30","13","3559","","10.1021/om200259n","","","0.71073","MoKα","","0.0471","0.0414","","0.127","0.118","0.1269","","","","","","0.9499","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064677","9.6922","0.0006","18.3316","0.0013","18.3392","0.0013","90","","102.975","0.003","90","","3175.2","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Ge N2 -","- C42 H28 Ge N2 -","- C168 H112 Ge4 N8 -","4","1","","Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet","Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission","Organometallics","2011","30","13","3559","","10.1021/om200259n","","","0.71073","MoKα","","0.0482","0.0307","","0.0784","0.0767","0.0784","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064678","9.571","0.0006","18.1502","0.001","18.6543","0.001","90","","103.101","0.003","90","","3156.2","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Ge N2 -","- C42 H28 Ge N2 -","- C168 H112 Ge4 N8 -","4","1","","Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet","Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission","Organometallics","2011","30","13","3559","","10.1021/om200259n","","","0.71073","MoKα","","0.0544","0.0371","","0.0918","0.0842","0.0918","","","","","","0.9294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064679","11.4828","0.0014","12.9012","0.0013","18.022","0.002","71.258","0.003","77.857","0.004","64.911","0.004","2281.1","0.4","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H40 Ge P2 -","- C56 H40 Ge P2 -","- C112 H80 Ge2 P4 -","2","1","","Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet","Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission","Organometallics","2011","30","13","3559","","10.1021/om200259n","","","0.71073","MoKα","","0.059","0.039","","","0.1056","0.131","","","","","","1.115","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064680","14.8466","0.0002","10.5615","0.0002","16.8143","0.0002","90","","90","","90","","2636.52","0.07","200","","200","","","","","","","","local","6","P n a 21","P 2c -2n","33","","Tp*(CO)~2~MoC-BCat","","- C24 H26 B2 Mo N6 O4 -","- C24 H26 B2 Mo N6 O4 -","- C96 H104 B8 Mo4 N24 O16 -","4","1","","Hill, Anthony F.; Shang, Rong; Willis, Anthony C.","Borylcarbyne Complexes: [Mo(≡CBR2)(CO)2{HB(pzMe2)3}] (BR2= B(NMe2)2, BO2C6H4; pz = pyrazol-1-yl)","Organometallics","2011","30","12","3237","","10.1021/om200261h","","","0.71073","MoKα","","0.0392","0.0292","","0.0665","0.0639","0.0665","","","","","","0.8881","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064681","6.6734","0.0002","5.9293","0.0002","22.1276","0.0007","90","","95.854","0.003","90","","870.99","0.05","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H18 S4 Si -","- C14 H18 S4 Si -","- C28 H36 S8 Si2 -","2","1","","Vacher, Antoine; Barrière, Frédéric; Roisnel, Thierry; Piekara-Sady, Lidia; Lorcy, Dominique","Electronically Coupled Tetrathiafulvalene Electrophores across a Non-innocent Acetylide‒Ruthenium Bridge","Organometallics","2011","30","13","3570","","10.1021/om200266q","","x-ray","0.71073","MoKα","","0.0297","0.0255","","","0.0633","0.0649","","","","","","1.071","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064682","7.6755","0.0006","7.6302","0.0006","20.4398","0.0015","90","","91.35","0.005","90","","1196.74","0.16","120","2","120","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 S4 -","- C11 H10 S4 -","- C44 H40 S16 -","4","1","","Vacher, Antoine; Barrière, Frédéric; Roisnel, Thierry; Piekara-Sady, Lidia; Lorcy, Dominique","Electronically Coupled Tetrathiafulvalene Electrophores across a Non-innocent Acetylide‒Ruthenium Bridge","Organometallics","2011","30","13","3570","","10.1021/om200266q","","x-ray","0.71073","MoKα","","0.097","0.0795","","","0.2195","0.2322","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064683","11.2985","0.0004","13.1056","0.0005","13.631","0.0005","105.621","0.002","90.91","0.002","114.311","0.002","1752.9","0.12","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C74 H66 P4 Ru S8 -","- C74 H66 P4 Ru S8 -","- C74 H66 P4 Ru S8 -","1","0.5","","Vacher, Antoine; Barrière, Frédéric; Roisnel, Thierry; Piekara-Sady, Lidia; Lorcy, Dominique","Electronically Coupled Tetrathiafulvalene Electrophores across a Non-innocent Acetylide‒Ruthenium Bridge","Organometallics","2011","30","13","3570","","10.1021/om200266q","","x-ray","0.71073","MoKα","","0.035","0.03","","","0.0753","0.0784","","","","","","1.055","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064684","15.0001","0.0001","6.1067","0.0001","23.5542","0.0001","90","","92.262","","90","","2155.91","0.04","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 Cr N O5 S -","- C22.5 H19 Cr N O6 S -","- C90 H76 Cr4 N4 O24 S4 -","4","1","","Otsuka, Maiko; Endo, Kohei; Shibata, Takanori","Regioselective Addition of Various Heteronucleophiles to (Styrene)Cr(CO)3Complexes","Organometallics","2011","30","13","3683","","10.1021/om200268v","","","0.71075","MoKα","","","0.0442","","","","0.1355","","","","","","1.045","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064685","9.4358","0.0006","17.8429","0.001","7.4964","0.0003","90","","90.124","0.001","90","","1262.11","0.12","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cr O4 -","- C13 H14 Cr O4 -","- C52 H56 Cr4 O16 -","4","1","","Otsuka, Maiko; Endo, Kohei; Shibata, Takanori","Regioselective Addition of Various Heteronucleophiles to (Styrene)Cr(CO)3Complexes","Organometallics","2011","30","13","3683","","10.1021/om200268v","","","0.71075","MoKα","","","0.037","","","","0.1579","","","","","","1.233","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064686","16.7355","0.0008","19.0723","0.0011","26.3039","0.0008","90","","129.512","0.002","90","","6477.3","0.6","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H70 N4 O10 Re2 -","- C71 H70 N4 O10 Re2 -","- C284 H280 N16 O40 Re8 -","4","1","","Rajakannu, Palanisamy; Shankar, Bhaskaran; Yadav, Anju; Shanmugam, Ramasamy; Gupta, Deepak; Hussain, Firasat; Chang, Che-Hao; Sathiyendiran, Malaichamy; Lu, Kuang-Lieh","Adaptation toward Restricted Conformational Dynamics: From the Series of Neutral Molecular Rotors","Organometallics","2011","30","11","3168","","10.1021/om200269z","","","0.71073","MoKα","","0.0802","0.066","","","0.1985","0.2031","","","","","","1.129","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064687","17.8331","0.0012","19.8924","0.0014","21.1648","0.0014","90","","90","","90","","7508.1","0.9","293","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H51 Cl Ir N3 O2 -","- C40 H51 Cl Ir N3 O2 -","- C320 H408 Cl8 Ir8 N24 O16 -","8","1","","Bouffard, Jean; Keitz, Benjamin K.; Tonner, Ralf; Lavallo, Vincent; Guisado-Barrios, Gregorio; Frenking, Gernot; Grubbs, Robert H.; Bertrand, Guy","Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis.","Organometallics","2011","30","9","2617","2627","10.1021/om200272m","","","0.71073","MoKα","","0.0474","0.0286","","","0.0615","0.0692","","","","","","1.008","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064688","8.927","0.0006","14.816","0.001","21.1064","0.0014","90","","97.692","0.003","90","","2766.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 N3 -","- C30 H43 N3 -","- C120 H172 N12 -","4","1","","Bouffard, Jean; Keitz, Benjamin K.; Tonner, Ralf; Lavallo, Vincent; Guisado-Barrios, Gregorio; Frenking, Gernot; Grubbs, Robert H.; Bertrand, Guy","Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis.","Organometallics","2011","30","9","2617","2627","10.1021/om200272m","","","0.71073","MoKα","","0.0585","0.0444","","","0.1231","0.1353","","","","","","1.044","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064689","23.7833","0.0013","10.6348","0.0006","30.7611","0.0017","90","","100.488","0.001","90","","7650.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 F6 N3 P -","- C38 H52 F6 N3 P -","- C304 H416 F48 N24 P8 -","8","1","","Bouffard, Jean; Keitz, Benjamin K.; Tonner, Ralf; Lavallo, Vincent; Guisado-Barrios, Gregorio; Frenking, Gernot; Grubbs, Robert H.; Bertrand, Guy","Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis.","Organometallics","2011","30","9","2617","2627","10.1021/om200272m","","","0.71073","MoKα","","0.0629","0.048","","","0.1247","0.1363","","","","","","1.035","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064690","24.5155","0.0005","24.5155","0.0005","18.8485","0.0004","90","","90","","90","","11328.1","0.4","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C58 H77 Cl2 N3 O Ru -","- C58 H77 Cl2 N3 O Ru -","- C464 H616 Cl16 N24 O8 Ru8 -","8","1","","Bouffard, Jean; Keitz, Benjamin K.; Tonner, Ralf; Lavallo, Vincent; Guisado-Barrios, Gregorio; Frenking, Gernot; Grubbs, Robert H.; Bertrand, Guy","Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis.","Organometallics","2011","30","9","2617","2627","10.1021/om200272m","","","0.71073","MoKα","","0.0696","0.0487","","","0.0708","0.0712","","","","","","4.381","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064691","30.7503","0.0013","11.3115","0.0005","29.7181","0.0013","90","","114.519","0.002","90","","9404.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H67.38 Cl2 N3 O Ru -","- C49.5 H67.384 Cl2 N3 O Ru -","- C396 H539.072 Cl16 N24 O8 Ru8 -","8","1","","Bouffard, Jean; Keitz, Benjamin K.; Tonner, Ralf; Lavallo, Vincent; Guisado-Barrios, Gregorio; Frenking, Gernot; Grubbs, Robert H.; Bertrand, Guy","Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis.","Organometallics","2011","30","9","2617","2627","10.1021/om200272m","","","0.71073","MoKα","","0.0539","0.0368","","","0.0591","0.0598","","","","","","2.227","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064692","30.334","0.006","10.568","0.002","15.019","0.003","90","","92.76","0.03","90","","4809.1","1.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","chloro-{hydrogen-tris(pyrazolyl)borato-κ^3^-N,N',N''}-{2-(diisopropyl- phosphanyl-mercapto)-pyridine-κ^2^-P,N}-ruthenium(II)","","- C20 H28 B Cl N7 P Ru S -","- C20 H28 B Cl N7 P Ru S -","- C160 H224 B8 Cl8 N56 P8 Ru8 S8 -","8","2","","Singh, Vinay K.; Bustelo, Emilio; de los Ríos, Isaac; Macías-Arce, Ignacio; Puerta, M. Carmen; Valerga, Pedro; Ortuño, Manuel Ángel; Ujaque, Gregori; Lledós, Agustí","Internal Alkyne Isomerization to Vinylidene versus Stable π-Alkyne: Theoretical and Experimental Study on the Divergence of Analogous Cp*Ru and TpRu Systems","Organometallics","2011","30","15","4014","","10.1021/om200273v","","x-ray","0.71073","MoKα","","0.086","0.0625","","","0.1191","0.1295","","","","","","1.068","","","","has coordinates","194597","2020-10-21","18:00:00",""
"4064693","13.599","0.003","13.869","0.003","13.899","0.003","70.76","0.03","84.98","0.03","89.92","0.03","2464.5","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[(η^5^-C~5~Me~5~)Ru{η^2^-PhCCCOPh}{κ^2^ P,N-^i^Pr~2~PNH(C~5~H~4~N)}] [BPh~4~]","{(diisopropyl-phosphanyl)-(pyridin-2-yl)-amine-κ^2^-P,N}-(η^5^-pentamethyl- cyclopentadienyl)-(dihapto-1,3-diphenyl-propynone)-ruthenium (II) tetraphenylborate","","- C60 H64 B N2 O P Ru -","- C60 H64 B N2 O P Ru -","- C120 H128 B2 N4 O2 P2 Ru2 -","2","1","","Singh, Vinay K.; Bustelo, Emilio; de los Ríos, Isaac; Macías-Arce, Ignacio; Puerta, M. Carmen; Valerga, Pedro; Ortuño, Manuel Ángel; Ujaque, Gregori; Lledós, Agustí","Internal Alkyne Isomerization to Vinylidene versus Stable π-Alkyne: Theoretical and Experimental Study on the Divergence of Analogous Cp*Ru and TpRu Systems","Organometallics","2011","30","15","4014","","10.1021/om200273v","","x-ray","0.71073","MoKα","","0.0404","0.0381","","","0.084","0.0854","","","","","","1.039","","","","has coordinates","194597","2020-10-21","18:00:00",""
"4064694","11.765","0.002","16.274","0.003","18.114","0.004","87.45","0.03","71.52","0.03","79.53","0.03","3234.2","1.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","{hydrogen-tris(pyrazolyl)borato-κ^3^-N,N',N''}-{2-(diisopropyl-phosphanyl- mercapto)-pyridine-κ^2^-P,N}-{(2-phenyl-2-methylcarbonyl)-ethenylidene}- ruthenium(II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate","","- C62 H48 B2 F24 N7 O P Ru S -","- C62 H48 B2 F24 N7 O P Ru S -","- C124 H96 B4 F48 N14 O2 P2 Ru2 S2 -","2","1","","Singh, Vinay K.; Bustelo, Emilio; de los Ríos, Isaac; Macías-Arce, Ignacio; Puerta, M. Carmen; Valerga, Pedro; Ortuño, Manuel Ángel; Ujaque, Gregori; Lledós, Agustí","Internal Alkyne Isomerization to Vinylidene versus Stable π-Alkyne: Theoretical and Experimental Study on the Divergence of Analogous Cp*Ru and TpRu Systems","Organometallics","2011","30","15","4014","","10.1021/om200273v","","x-ray","0.71073","MoKα","","0.0393","0.0371","","","0.0906","0.0922","","","","","","1.045","","","","has coordinates","194597","2020-10-21","18:00:00",""
"4064695","12.484","0.003","13.946","0.003","20.184","0.004","74.11","0.03","77.51","0.03","85.73","0.03","3299.4","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","{κ^2^ N,P-2-[(Diisopropylphosphanyl)-methyl]-pyridine}- {κ^3^ N,N',N''-hydro-tris(pyrazolyl)borate}-(2-phenyl-2-O-methylcarboxy- ethylidene)-ruthenium (II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate","","- C63 H50 B2 F24 N7 O2 P Ru -","- C63 H50 B2 F24 N7 O2 P Ru -","- C126 H100 B4 F48 N14 O4 P2 Ru2 -","2","1","","Singh, Vinay K.; Bustelo, Emilio; de los Ríos, Isaac; Macías-Arce, Ignacio; Puerta, M. Carmen; Valerga, Pedro; Ortuño, Manuel Ángel; Ujaque, Gregori; Lledós, Agustí","Internal Alkyne Isomerization to Vinylidene versus Stable π-Alkyne: Theoretical and Experimental Study on the Divergence of Analogous Cp*Ru and TpRu Systems","Organometallics","2011","30","15","4014","","10.1021/om200273v","","x-ray","0.71073","MoKα","","0.0452","0.0428","","","0.1075","0.1094","","","","","","1.02","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064696","9.0246","0.0013","17.619","0.003","19.008","0.003","90","","93.872","0.0017","90","","3015.5","0.8","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Ge2 P2 Pt -","- C22 H54 Ge2 P2 Pt -","- C88 H216 Ge8 P8 Pt4 -","4","1","","Tanabe, Makoto; Deguchi, Takashi; Osakada, Kohtaro","Chemical Properties of Tetragermaplatinacyclopentane. Insertion of an Alkyne into a Pt‒Ge Bond and Silylation Caused by H2SiPh2","Organometallics","2011","30","12","3386","","10.1021/om200275w","","","0.7107","MoKα","","0.0339","0.0293","","","0.0755","0.0783","","","","","","0.999","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064697","20.3919","0.0015","20.3919","0.0015","54.171","0.006","90","","90","","90","","22526","3","293","","293","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C44 H94 Ge4 O4 P2 Pt -","- C44 H75 Ge4 O4 P2 Pt -","- C704 H1200 Ge64 O64 P32 Pt16 -","16","1","","Tanabe, Makoto; Deguchi, Takashi; Osakada, Kohtaro","Chemical Properties of Tetragermaplatinacyclopentane. Insertion of an Alkyne into a Pt‒Ge Bond and Silylation Caused by H2SiPh2","Organometallics","2011","30","12","3386","","10.1021/om200275w","","","0.7107","MoKα","","0.1039","0.0829","","","0.2229","0.2468","","","","","","1.046","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064698","32.1173","0.0015","7.4449","0.0003","17.5732","0.0008","90","","104.061","0.001","90","","4076","0.3","220","2","220","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","platimun octene complex","platimun octene complex","","- C39 H50 Cl2 N4 O7 Pt2 S2 -","- C39 H50 Cl2 N4 O7 Pt2 S2 -","- C156 H200 Cl8 N16 O28 Pt8 S8 -","4","0.5","","Khusnutdinova, Julia R.; Zavalij, Peter Y.; Vedernikov, Andrei N.","Allylic C‒H Deprotonation of Olefins with PtII(OH) to Form η3-Allyl PtIIComplexes in Water and Aprotic Organic Solvents","Organometallics","2011","30","12","3392","","10.1021/om2002766","","","0.71073","MoKα","","0.0165","0.0145","","","0.0345","0.0351","","","","","","1.001","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064699","9.3702","0.0009","9.502","0.0009","11.3905","0.0011","72.504","0.002","88.877","0.002","81.837","0.002","957.16","0.16","220","2","220","2","","","","","","","","6","P -1","-P 1","2","Pt-complex","Pt-complex","","- C19 H24 N2 O4 Pt S -","- C19 H24 N2 O4 Pt S -","- C38 H48 N4 O8 Pt2 S2 -","2","1","","Khusnutdinova, Julia R.; Zavalij, Peter Y.; Vedernikov, Andrei N.","Allylic C‒H Deprotonation of Olefins with PtII(OH) to Form η3-Allyl PtIIComplexes in Water and Aprotic Organic Solvents","Organometallics","2011","30","12","3392","","10.1021/om2002766","","","0.71073","MoKα","","0.0334","0.0295","","","0.075","0.0771","","","","","","1","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064700","11.3386","0.0002","26.6223","0.0004","21.0764","0.0003","90","","104.358","0.001","90","","6163.39","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Co N O -","- C42 H30 Co N O -","- C336 H240 Co8 N8 O8 -","8","2","","Spencer, John; Amin, Jahangir; Coxhead, Peter; McGeehan, John; Richards, Christopher J.; Tizzard, Graham J.; Coles, Simon J.; Bingham, John P.; Hartley, John A.; Feng, Li; Meggers, Eric; Guille, Matthew","Size Does Matter. Sterically Demanding Metallocene-Substituted 3-Methylidene-Oxindoles Exhibit Poor Kinase Inhibitory Action","Organometallics","2011","30","11","3177","","10.1021/om200278j","","","0.71073","MoKα","","0.0946","0.0668","","","0.1153","0.1277","","","","","","1.155","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064701","10.1505","0.0002","27.9585","0.0006","12.2065","0.0002","90","","106.819","0.001","90","","3315.93","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Co N O -","- C42 H30 Co N O -","- C168 H120 Co4 N4 O4 -","4","1","","Spencer, John; Amin, Jahangir; Coxhead, Peter; McGeehan, John; Richards, Christopher J.; Tizzard, Graham J.; Coles, Simon J.; Bingham, John P.; Hartley, John A.; Feng, Li; Meggers, Eric; Guille, Matthew","Size Does Matter. Sterically Demanding Metallocene-Substituted 3-Methylidene-Oxindoles Exhibit Poor Kinase Inhibitory Action","Organometallics","2011","30","11","3177","","10.1021/om200278j","","","0.71073","MoKα","","0.1152","0.0809","","","0.1484","0.1634","","","","","","1.011","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064702","23.8228","0.0019","24.848","0.002","24.213","0.002","90","","90","","90","","14333","2","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C132 H200 K2 La2 O18 -","- C132 H184 K2 La2 O18 -","- C528 H736 K8 La8 O72 -","4","0.5","","Xu, Bin; Huang, Lingling; Yang, Zijian; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Structural Diversity of Heterobimetallic Lanthanide‒Potassium Complexes and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2011","30","13","3588","","10.1021/om200283j","","","0.7107","MoKα","","0.0998","0.087","","","0.2233","0.2312","","","","","","1.169","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064703","13.7855","0.0007","15.4725","0.0011","15.9167","0.0009","75.615","0.005","68.163","0.005","77.512","0.006","3023.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H168 K2 Nd2 O10 -","- C128 H118 K2 Nd2 O10 -","- C128 H118 K2 Nd2 O10 -","1","0.5","","Xu, Bin; Huang, Lingling; Yang, Zijian; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Structural Diversity of Heterobimetallic Lanthanide‒Potassium Complexes and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2011","30","13","3588","","10.1021/om200283j","","","0.7107","MoKα","","0.0426","0.0391","","","0.1009","0.1036","","","","","","1.129","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064704","13.071","0.002","16.239","0.003","18.208","0.003","111.279","0.004","92.015","0.002","107.289","0.004","3393.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C67.5 H100 K O8.5 Sm -","- C67.5 H76 K O8.5 Sm -","- C135 H152 K2 O17 Sm2 -","2","1","","Xu, Bin; Huang, Lingling; Yang, Zijian; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Structural Diversity of Heterobimetallic Lanthanide‒Potassium Complexes and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2011","30","13","3588","","10.1021/om200283j","","","0.7107","MoKα","","0.1073","0.0828","","","0.1775","0.1912","","","","","","1.154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064705","15.0853","0.0013","17.3469","0.0015","28.382","0.003","90","","94.639","0.002","90","","7402.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H100 K O9 Yb -","- C66 H76 K O9 Yb -","- C264 H304 K4 O36 Yb4 -","4","1","","Xu, Bin; Huang, Lingling; Yang, Zijian; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Structural Diversity of Heterobimetallic Lanthanide‒Potassium Complexes and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2011","30","13","3588","","10.1021/om200283j","","","0.7107","MoKα","","0.1073","0.0824","","","0.204","0.2188","","","","","","1.166","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064706","11.1594","0.0008","11.4396","0.0008","12.4599","0.0009","87.13","0.003","72.379","0.004","74.688","0.003","1461.4","0.18","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H86 K2 N4 O5 S4 Si2 -","- C50 H86 K2 N4 O5 S4 Si2 -","- C50 H86 K2 N4 O5 S4 Si2 -","1","0.5","","Zhang, Shu-Hua; Xi, Hong-Wei; Lim, Kok Hwa; So, Cheuk-Wai","Synthesis and Characterization of an Amidinate-Stabilized Siladithiocarboxylate and Its Germanium(II) Complex","Organometallics","2011","30","13","3686","","10.1021/om200285u","","","0.71073","MoKα","","0.0471","0.035","","","0.1023","0.123","","","","","","1.128","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064707","24.1519","0.0004","8.7472","0.0001","17.9561","0.0003","90","","110.329","0.001","90","","3557.15","0.1","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Ge N4 S4 Si2 -","- C30 H46 Ge N4 S4 Si2 -","- C120 H184 Ge4 N16 S16 Si8 -","4","0.5","","Zhang, Shu-Hua; Xi, Hong-Wei; Lim, Kok Hwa; So, Cheuk-Wai","Synthesis and Characterization of an Amidinate-Stabilized Siladithiocarboxylate and Its Germanium(II) Complex","Organometallics","2011","30","13","3686","","10.1021/om200285u","","","0.71073","MoKα","","0.0638","0.0352","","","0.0852","0.1053","","","","","","1.094","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064708","15.1685","0.0001","11.2434","0.0001","15.2618","0.0002","90","","95.424","0.001","90","","2591.18","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Rhodium(I)","","- C25 H36 Cl O3 P2 Rh -","- C25 H36 Cl O3 P2 Rh -","- C100 H144 Cl4 O12 P8 Rh4 -","4","1","","Obenhuber, Andreas; Ruhland, Klaus","Activation of an Unstrained C(sp2)‒C(sp2) Single Bond Using Chelate-Bisphosphinite Rhodium(I) Complexes","Organometallics","2011","30","15","4039","","10.1021/om200288e","","","0.71073","MoKα","","0.0355","0.0302","","","0.0621","0.0661","","","","","","1.194","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064709","11.6344","0.0011","12.6473","0.0012","17.2954","0.0017","71.278","0.002","81.209","0.002","82.365","0.002","2372.4","0.4","200","2","200","2","","","","","","","","8","P -1","-P 1","2","cis-beta-[RuCl(OH2)(PNNP)(PNNP)]_2CH2Cl2","","","- C46 H44 Cl5 F6 N2 O P3 Ru -","- C46 H44 Cl5 F6 N2 O P3 Ru -","- C92 H88 Cl10 F12 N4 O2 P6 Ru2 -","2","1","","Schotes, Christoph; Ranocchiari, Marco; Mezzetti, Antonio","Aqua and Diethyl Ether PNNP Complexes of Ruthenium(II): Structure and Solution Behavior","Organometallics","2011","30","13","3596","","10.1021/om200289x","","","0.71073","MoKα","","0.0818","0.0559","","","0.1401","0.1578","","","","","","1.039","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064710","10.525","0.003","12.047","0.003","22.521","0.006","90","","90","","90","","2855.5","1.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl2 O2 Os P2 S -","- C26 H40 Cl2 O2 Os P2 S -","- C104 H160 Cl8 O8 Os4 P8 S4 -","4","1","","Esteruelas, Miguel A.; Honczek, Nicole; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Direct Access to POP-Type Osmium(II) and Osmium(IV) Complexes: Osmium a Promising Alternative to Ruthenium for the Synthesis of Imines from Alcohols and Amines","Organometallics","2011","30","9","2468","","10.1021/om200290u","","","0.71073","MoKα","","0.0413","0.0334","","","0.057","0.0586","","","","","","0.95","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064711","11.249","0.003","12.81","0.003","19.873","0.005","90","","97.962","0.004","90","","2836.1","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 Cl O2 Os P2 -","- C28 H45 Cl O2 Os P2 -","- C112 H180 Cl4 O8 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Honczek, Nicole; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Direct Access to POP-Type Osmium(II) and Osmium(IV) Complexes: Osmium a Promising Alternative to Ruthenium for the Synthesis of Imines from Alcohols and Amines","Organometallics","2011","30","9","2468","","10.1021/om200290u","","","0.71073","MoKα","","0.0791","0.0346","","","0.0525","0.0588","","","","","","0.809","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064712","21.0249","0.001","9.6249","0.0005","11.681","0.0006","90","","90","","90","","2363.8","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H38 O Os P2 -","- C24 H38 O Os P2 -","- C96 H152 O4 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Honczek, Nicole; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Direct Access to POP-Type Osmium(II) and Osmium(IV) Complexes: Osmium a Promising Alternative to Ruthenium for the Synthesis of Imines from Alcohols and Amines","Organometallics","2011","30","9","2468","","10.1021/om200290u","","","0.71073","MoKα","","0.0216","0.0183","","","0.0417","0.0429","","","","","","1.125","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064713","14.7819","0.0008","9.6112","0.0005","19.9187","0.001","90","","98.13","0.003","90","","2801.4","0.3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Au F6 P Sb -","- C25 H35 Au F6 P Sb -","- C100 H140 Au4 F24 P4 Sb4 -","4","1","","Brooner, Rachel E. M.; Widenhoefer, Ross A.","Syntheses, X-ray Crystal Structures, and Solution Behavior of Cationic, Two-Coordinate Gold(I) η2-Diene Complexes","Organometallics","2011","30","11","3182","","10.1021/om200291s","","","0.71073","MoKα","","0.0807","0.0437","","","0.0999","0.1195","","","","","","1.014","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064714","12.7007","0.0004","11.9861","0.0004","18.9847","0.0006","90","","90","","90","","2890.08","0.16","110","","110","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H37 Au F6 P Sb -","- C26 H37 Au F6 P Sb -","- C104 H148 Au4 F24 P4 Sb4 -","4","1","","Brooner, Rachel E. M.; Widenhoefer, Ross A.","Syntheses, X-ray Crystal Structures, and Solution Behavior of Cationic, Two-Coordinate Gold(I) η2-Diene Complexes","Organometallics","2011","30","11","3182","","10.1021/om200291s","","","0.71073","MoKα","","0.0624","0.0364","","","0.0721","0.0848","","","","","","1.032","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064715","9.4763","0.0008","9.8824","0.0008","14.0672","0.0011","83.97","0.003","87.373","0.004","81.222","0.004","1294.14","0.18","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Au F6 P Sb -","- C24 H33 Au F6 P Sb -","- C48 H66 Au2 F12 P2 Sb2 -","2","1","","Brooner, Rachel E. M.; Widenhoefer, Ross A.","Syntheses, X-ray Crystal Structures, and Solution Behavior of Cationic, Two-Coordinate Gold(I) η2-Diene Complexes","Organometallics","2011","30","11","3182","","10.1021/om200291s","","","0.71073","MoKα","","0.0312","0.026","","","0.0604","0.0619","","","","","","1.002","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064716","9.9305","0.0006","24.721","0.0015","11.5076","0.0007","90","","94.593","0.003","90","","2816","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Au F6 P Sb -","- C26 H35 Au F6 P Sb -","- C104 H140 Au4 F24 P4 Sb4 -","4","1","","Brooner, Rachel E. M.; Widenhoefer, Ross A.","Syntheses, X-ray Crystal Structures, and Solution Behavior of Cationic, Two-Coordinate Gold(I) η2-Diene Complexes","Organometallics","2011","30","11","3182","","10.1021/om200291s","","","0.71073","MoKα","","0.0942","0.0463","","","0.1033","0.1172","","","","","","1.029","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064717","10.0045","0.0007","13.7329","0.0009","15.2026","0.0009","79.8881","0.0018","74.1678","0.0018","69.405","0.0019","1873.7","0.2","173.1","","173.1","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H52 Cl3 P2 Ru Ti -","- C37 H52 Cl3 P2 Ru Ti -","- C74 H104 Cl6 P4 Ru2 Ti2 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0444","","","","0.0969","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064718","12.3242","0.0003","21.9791","0.0005","16.8359","0.0004","90","","97.011","0.0008","90","","4526.32","0.19","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Cl3 P2 Ru Zr -","- C45 H62 Cl3 P2 Ru Zr -","- C180 H248 Cl12 P8 Ru4 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0337","","","","0.0933","","","","","","1","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064719","17.8679","0.0006","8.5853","0.0003","24.4842","0.0008","90","","90.552","0.0011","90","","3755.7","0.2","173.1","","173.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H59 Cl3 Hf P2 Ru -","- C36 H59 Cl3 Hf P2 Ru -","- C144 H236 Cl12 Hf4 P8 Ru4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0673","","","","0.1453","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064720","13.5738","0.0006","19.363","0.0007","19.8907","0.0006","90","","90","","90","","5227.9","0.3","173.1","","173.1","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H33 Cl3 P2 Ru Zr -","- C23 H33 Cl3 P2 Ru Zr -","- C184 H264 Cl24 P16 Ru8 Zr8 -","8","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0488","","","","0.1328","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064721","13.4837","0.0004","19.4002","0.0006","24.6514","0.0006","90","","91.496","0.0009","90","","6446.3","0.3","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H55 B Cl2 F24 P2 Ru Zr -","- C60 H55 B Cl2 F24 P2 Ru Zr -","- C240 H220 B4 Cl8 F96 P8 Ru4 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0816","","","","0.2002","","","","","","1","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064722","26.4405","0.0005","17.3997","0.0004","16.1581","0.0003","90","","90","","90","","7433.6","0.3","173.1","","173.1","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C75 H65 B Cl2 F24 P2 Ru Zr -","- C75 H65 B Cl2 F24 P2 Ru Zr -","- C300 H260 B4 Cl8 F96 P8 Ru4 Zr4 -","4","0.5","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0654","","","","0.1254","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064723","26.4425","0.001","17.388","0.0007","16.1407","0.0005","90","","90","","90","","7421.2","0.5","173.1","","173.1","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C75 H65 B Cl2 F24 Hf P2 Ru -","- C75 H65 B Cl2 F24 Hf P2 Ru -","- C300 H260 B4 Cl8 F96 Hf4 P8 Ru4 -","4","0.5","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0592","","","","0.1516","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064724","16.0143","0.0003","16.5647","0.0003","17.0842","0.0004","110.207","0.0007","109.227","0.0007","107.968","0.0007","3530.56","0.13","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H65 B F24 Fe P2 Ru -","- C75 H65 B F24 Fe P2 Ru -","- C150 H130 B2 F48 Fe2 P4 Ru2 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0433","","","","0.0857","","","","","","1","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064725","16.021","0.0003","16.4039","0.0002","15.4546","0.0003","90","","116.349","0.002","90","","3639.61","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Cl7 F N P Pt -","- C35 H32 Cl7 F N P Pt -","- C140 H128 Cl28 F4 N4 P4 Pt4 -","4","1","","Crosby, Sarah H.; Clarkson, Guy J.; Rourke, Jonathan P.","Reactions of a Platinum(II) Agostic Complex: Decyclometalation, Dicyclometalation, and Solvent-Switchable Formation of a Rollover Complex","Organometallics","2011","30","13","3603","","10.1021/om200293e","","","0.71073","MoKα","","0.0294","0.0213","","","0.0365","0.0372","","","","","","0.919","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064726","9.9679","0.0002","18.6651","0.0003","9.5993","0.0002","90","","111.176","0.003","90","","1665.37","0.06","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H20 F N O Pt S -","- C17 H20 F N O Pt S -","- C68 H80 F4 N4 O4 Pt4 S4 -","4","1","","Crosby, Sarah H.; Clarkson, Guy J.; Rourke, Jonathan P.","Reactions of a Platinum(II) Agostic Complex: Decyclometalation, Dicyclometalation, and Solvent-Switchable Formation of a Rollover Complex","Organometallics","2011","30","13","3603","","10.1021/om200293e","","","0.71073","MoKα","","0.0144","0.0142","","","0.0344","0.0344","","","","","","1.073","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064727","13.827","0.003","27.498","0.006","24.766","0.005","90","","98.79","0.03","90","","9306","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76.12 H86.8 F12 N9 O26.78 Ru4 S4 -","- C76.12 H86.8 F12 N9 O26.78 Ru4 S4 -","- C304.48 H347.2 F48 N36 O107.12 Ru16 S16 -","4","1","","Vajpayee, Vaishali; Song, Young Ho; Yang, Yoon Jung; Kang, Se Chan; Kim, Hyunuk; Kim, In Su; Wang, Ming; Stang, Peter J.; Chi, Ki-Whan","Coordination Driven Self-Assembly and Anticancer Activity of Molecular Rectangles Containing Octahedral Ruthenium Metal Centers.","Organometallics","2011","30","12","3242","3245","10.1021/om200294x","","","0.9","","","0.0706","0.0631","","","0.188","0.1984","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064728","11.336","0.002","17.65","0.004","24.465","0.005","81.32","0.03","83.65","0.03","76.4","0.03","4688.8","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H79 F12 N9 O26 Ru4 S4 -","- C73 H79 F12 N9 O26 Ru4 S4 -","- C146 H158 F24 N18 O52 Ru8 S8 -","2","1","","Vajpayee, Vaishali; Song, Young Ho; Yang, Yoon Jung; Kang, Se Chan; Kim, Hyunuk; Kim, In Su; Wang, Ming; Stang, Peter J.; Chi, Ki-Whan","Coordination Driven Self-Assembly and Anticancer Activity of Molecular Rectangles Containing Octahedral Ruthenium Metal Centers.","Organometallics","2011","30","12","3242","3245","10.1021/om200294x","","","0.9","synchrotron","","0.0994","0.0909","","","0.2593","0.2681","","","","","","0.993","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064729","22.994","0.003","10.4455","0.0017","29.512","0.006","90","","98.107","0.007","90","","7017","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H51 Cl N4 O Ru -","- C35 H51 Cl N4 O Ru -","- C280 H408 Cl8 N32 O8 Ru8 -","8","2","","Risse, Julie; Scopelliti, Rosario; Severin, Kay","Beyond Click-Chemistry: Transformation of Azides with Cyclopentadienyl Ruthenium Complexes","Organometallics","2011","30","12","3412","","10.1021/om200295c","","","0.71073","MoKα","","0.0504","0.0442","","","0.0732","0.0756","","","","","","1.112","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064730","14.1525","0.0005","28.7647","0.0008","17.0534","0.0005","90","","90","","90","","6942.3","0.4","140","2","140","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36.5 H51 Cl N4 O Ru -","- C36.5 H51 Cl N4 O Ru -","- C292 H408 Cl8 N32 O8 Ru8 -","8","1","","Risse, Julie; Scopelliti, Rosario; Severin, Kay","Beyond Click-Chemistry: Transformation of Azides with Cyclopentadienyl Ruthenium Complexes","Organometallics","2011","30","12","3412","","10.1021/om200295c","","","0.71073","MoKα","","0.0768","0.061","","","0.1288","0.1334","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064731","12.619","0.002","16.7307","0.0016","11.988","0.002","90","","101.203","0.015","90","","2482.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 Cl2 N2 O2 Ru2 -","- C52 H80 Cl2 N2 O2 Ru2 -","- C104 H160 Cl4 N4 O4 Ru4 -","2","0.5","","Risse, Julie; Scopelliti, Rosario; Severin, Kay","Beyond Click-Chemistry: Transformation of Azides with Cyclopentadienyl Ruthenium Complexes","Organometallics","2011","30","12","3412","","10.1021/om200295c","","","0.71073","MoKα","","0.0675","0.0428","","","0.0684","0.0768","","","","","","1.109","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064732","12.9599","0.0004","16.8199","0.0005","13.9015","0.0006","90","","104.255","0.002","90","","2937","0.18","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H49 Cl9 P4 Pd2 -","- C53 H45 Cl9 P4 Pd2 -","- C106 H90 Cl18 P8 Pd4 -","2","1","","Reitsamer, Christian; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Ellmerer, Ernst P.; Peringer, Paul","The First Carbodiphosphorane Complex with Two Palladium Centers Attached to the CDP Carbon: Assembly of a Single-Stranded di-Pd Helicate by the PCP Pincer ligand C(dppm)2","Organometallics","2011","30","15","4220","","10.1021/om2002975","","","0.71073","MoKα","","0.0691","0.0555","","","0.1382","0.1469","","","","","","1.051","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064733","10.2454","0.0004","16.2432","0.0007","17.75","0.0006","90","","93.788","0.002","90","","2947.5","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Li O10 P Si2 W -","- C20 H36 Li O10 P Si2 W -","- C80 H144 Li4 O40 P4 Si8 W4 -","4","1","","Duan, Lili; Schnakenburg, Gregor; Streubel, Rainer","Generation and Decomposition of Li/OR Phosphinidenoid Complexes","Organometallics","2011","30","12","3246","","10.1021/om200300m","","","0.71073","MoKα","","0.0808","0.049","","","0.1216","0.1319","","","","","","1.047","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064734","9.1768","0.0003","16.9657","0.0006","27.8831","0.0011","90","","90","","90","","4341.1","0.3","123","2","123","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H23 O7 P Si2 W -","- C14 H23 O7 P Si2 W -","- C112 H184 O56 P8 Si16 W8 -","8","1","","Duan, Lili; Schnakenburg, Gregor; Streubel, Rainer","Generation and Decomposition of Li/OR Phosphinidenoid Complexes","Organometallics","2011","30","12","3246","","10.1021/om200300m","","","0.71073","MoKα","","0.0214","0.0201","","","0.0438","0.0442","","","","","","1.014","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064735","11.0038","0.0012","16.584","0.0016","16.454","0.0016","64.62","0.007","79.697","0.008","76.556","0.008","2627.8","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H164 B44 N10 O4 Rh2 Sn4 -","- C54 H164 B44 N10 O4 Rh2 Sn4 -","- C54 H164 B44 N10 O4 Rh2 Sn4 -","1","0.5","","Fleischhauer, Sebastian; Eichele, Klaus; Schellenberg, Inga; Pöttgen, Rainer; Wesemann, Lars","Cobalt, Rhodium, Iridium, and Ruthenium Carbonyl Complexes with Stanna-closo-dodecaborate:103Rh NMR,119Sn Mössbauer Spectroscopy, and Solid-State119Sn NMR","Organometallics","2011","30","11","3200","","10.1021/om200301v","","","0.71073","MoKα","","0.0581","0.0444","","","0.0992","0.1054","","","","","","1.02","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064736","17.0539","0.0015","29.5348","0.0018","36.649","0.003","90","","96.259","0.007","90","","18349","2","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H135 B33 N8.5 Na0.5 O2 Rh Sn3 -","- C46 H135 B33 N8.5 Na0.5 O2 Rh Sn3 -","- C368 H1080 B264 N68 Na4 O16 Rh8 Sn24 -","8","1","","Fleischhauer, Sebastian; Eichele, Klaus; Schellenberg, Inga; Pöttgen, Rainer; Wesemann, Lars","Cobalt, Rhodium, Iridium, and Ruthenium Carbonyl Complexes with Stanna-closo-dodecaborate:103Rh NMR,119Sn Mössbauer Spectroscopy, and Solid-State119Sn NMR","Organometallics","2011","30","11","3200","","10.1021/om200301v","","","0.71073","MoKα","","0.1315","0.0861","","","0.1866","0.2041","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064737","13.7901","0.0005","19.9695","0.001","32.4045","0.0014","90","","90","","90","","8923.6","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H145 B33 Ir N9 O2 Sn3 -","- C50 H145 B33 Ir N9 O2 Sn3 -","- C200 H580 B132 Ir4 N36 O8 Sn12 -","4","1","","Fleischhauer, Sebastian; Eichele, Klaus; Schellenberg, Inga; Pöttgen, Rainer; Wesemann, Lars","Cobalt, Rhodium, Iridium, and Ruthenium Carbonyl Complexes with Stanna-closo-dodecaborate:103Rh NMR,119Sn Mössbauer Spectroscopy, and Solid-State119Sn NMR","Organometallics","2011","30","11","3200","","10.1021/om200301v","","","0.71073","MoKα","","0.0568","0.0488","","","0.1086","0.1123","","","","","","1.001","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064738","12.4299","0.0006","17.8892","0.0008","31.737","0.0016","90","","90","","90","","7057.1","0.6","173","2","173","2","","","","","","","","7","P c 21 n","P -2n -2ac","33","","","","- C30 H105 B33 Co N9 O2 Sn3 -","- C30 H105 B33 Co N9 O2 Sn3 -","- C120 H420 B132 Co4 N36 O8 Sn12 -","4","1","","Fleischhauer, Sebastian; Eichele, Klaus; Schellenberg, Inga; Pöttgen, Rainer; Wesemann, Lars","Cobalt, Rhodium, Iridium, and Ruthenium Carbonyl Complexes with Stanna-closo-dodecaborate:103Rh NMR,119Sn Mössbauer Spectroscopy, and Solid-State119Sn NMR","Organometallics","2011","30","11","3200","","10.1021/om200301v","","","0.71073","MoKα","","0.0574","0.0449","","","0.1077","0.1142","","","","","","1.028","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064739","26.758","0.002","17.942","0.0008","14.4783","0.0011","90","","120.897","0.005","90","","5964.5","0.8","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H97 B22 Cl2 N5 O2 Ru Sn2 -","- C32 H97 B22 Cl2 N5 O2 Ru Sn2 -","- C128 H388 B88 Cl8 N20 O8 Ru4 Sn8 -","4","0.5","","Fleischhauer, Sebastian; Eichele, Klaus; Schellenberg, Inga; Pöttgen, Rainer; Wesemann, Lars","Cobalt, Rhodium, Iridium, and Ruthenium Carbonyl Complexes with Stanna-closo-dodecaborate:103Rh NMR,119Sn Mössbauer Spectroscopy, and Solid-State119Sn NMR","Organometallics","2011","30","11","3200","","10.1021/om200301v","","","0.71073","MoKα","","0.0708","0.0596","","","0.153","0.1614","","","","","","1.083","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064740","12.8797","0.0006","12.0899","0.0006","13.3961","0.0007","90","","106.732","0.001","90","","1997.65","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","η^2^-(1-Ferrocenyl-3-pyridin-2-yl-propenone)-tetracarbonyl-iron(0)","","- C22 H15 Fe2 N O5 -","- C22 H15 Fe2 N O5 -","- C88 H60 Fe8 N4 O20 -","4","1","","Ortega-Alfaro, M. Carmen; Rosas-Sánchez, Alfredo; Zarate-Picazo, Bertha E.; López-Cortés, José G.; Cortés-Guzmán, Fernando; Toscano, Ruben A.","Iron(0) Promotes Aza Cyclization of an Elusive Ferrocenylketene","Organometallics","2011","30","18","4830","","10.1021/om200302z","","","0.71073","MoKα","","0.0955","0.0511","","","0.0713","0.0792","","","","","","0.997","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064741","16.284","0.001","7.342","0.0005","16.522","0.001","90","","90.102","0.002","90","","1975.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl-(η^4^-2-ferrocenyl-4-pyridin-2-yl-buta-1,3-dien-1-one) -iron(0)","","- C22 H15 Fe2 N O4 -","- C22 H15 Fe2 N O4 -","- C88 H60 Fe8 N4 O16 -","4","1","","Ortega-Alfaro, M. Carmen; Rosas-Sánchez, Alfredo; Zarate-Picazo, Bertha E.; López-Cortés, José G.; Cortés-Guzmán, Fernando; Toscano, Ruben A.","Iron(0) Promotes Aza Cyclization of an Elusive Ferrocenylketene","Organometallics","2011","30","18","4830","","10.1021/om200302z","","","0.71073","MoKα","","0.0721","0.0432","","","0.0501","0.0531","","","","","","0.966","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064742","9.1073","0.0008","11.3267","0.001","13.9067","0.0012","90","","90","","90","","1434.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Fe N O -","- C19 H15 Fe N O -","- C76 H60 Fe4 N4 O4 -","4","1","","Ortega-Alfaro, M. Carmen; Rosas-Sánchez, Alfredo; Zarate-Picazo, Bertha E.; López-Cortés, José G.; Cortés-Guzmán, Fernando; Toscano, Ruben A.","Iron(0) Promotes Aza Cyclization of an Elusive Ferrocenylketene","Organometallics","2011","30","18","4830","","10.1021/om200302z","","","0.71073","MoKα","","0.0393","0.0357","","","0.0794","0.0815","","","","","","1.073","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064743","9.0624","0.0017","9.795","0.0019","17.009","0.003","103.47","0.003","100.754","0.003","94.784","0.004","1429.7","0.5","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H46 Cl2 O3 P4 Rh2 -","- C17 H46 Cl2 O3 P4 Rh2 -","- C34 H92 Cl4 O6 P8 Rh4 -","2","1","","Choi, Jun-Chul; Kohno, Kazufumi; Otsuka, Michiko; Yasuda, Hiroyuki; Sakakura, Toshiyasu","Synthesis of a Rhodium(III) Diethyl μ-Carbonato Complex in the Reaction of CO2, H2O, and Ethylene","Organometallics","2011","30","22","6060","","10.1021/om200303w","","","0.71073","MoKα","","0.0433","0.041","","","0.1112","0.1146","","","","","","1.031","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064744","14.8155","0.0012","14.3502","0.0011","17.371","0.0014","90","","104.127","0.001","90","","3581.5","0.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H54 Cl6 O P4 Rh2 -","- C20.5 H54 Cl5 O P4 Rh2 -","- C82 H216 Cl20 O4 P16 Rh8 -","4","1","","Choi, Jun-Chul; Kohno, Kazufumi; Otsuka, Michiko; Yasuda, Hiroyuki; Sakakura, Toshiyasu","Synthesis of a Rhodium(III) Diethyl μ-Carbonato Complex in the Reaction of CO2, H2O, and Ethylene","Organometallics","2011","30","22","6060","","10.1021/om200303w","","","0.71073","MoKα","","0.0481","0.0433","","","0.1367","0.1414","","","","","","1.03","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064745","17.9556","0.0017","9.898","0.0009","14.285","0.0013","90","","90","","90","","2538.8","0.4","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H38 Cl4 P4 Rh2 -","- C13 H38 Cl4 P4 Rh2 -","- C52 H152 Cl16 P16 Rh8 -","4","1","","Choi, Jun-Chul; Kohno, Kazufumi; Otsuka, Michiko; Yasuda, Hiroyuki; Sakakura, Toshiyasu","Synthesis of a Rhodium(III) Diethyl μ-Carbonato Complex in the Reaction of CO2, H2O, and Ethylene","Organometallics","2011","30","22","6060","","10.1021/om200303w","","","0.71073","MoKα","","0.0148","0.0146","","","0.0375","0.0376","","","","","","1.039","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064746","11.9673","0.0011","14.4165","0.0013","17.0517","0.0016","89.008","0.002","74.291","0.001","68.795","0.001","2629.6","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Dirhodium disilver complex","Dirhodium disilver complex","","- C46 H58 Ag2 F14 N4 O8 Rh2 -","- C48.077 H58 Ag2 F13.099 N4 O8 Rh2 -","- C96.154 H116 Ag4 F26.198 N8 O16 Rh4 -","2","1","","Doyle, Michael P.; Shabashov, Dmitry; Zhou, Lei; Zavalij, Peter Y.; Welch, Christopher; Pirzada, Zainab","Does an Axial Propeller Shape on a Dirhodium(III,III) Core Affect Equatorial Ligand Chirality?","Organometallics","2011","30","13","3619","","10.1021/om2003078","","","0.71073","MoKα","","0.0421","0.0307","","","0.0554","0.0582","","","","","","1.001","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064747","24.976","0.006","11.607","0.003","35.602","0.009","90","","98.43","0.003","90","","10209","4","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H59 Cl0 N2 O P Si -","- C50 H59 N2 O P Si -","- C400 H472 N16 O8 P8 Si8 -","8","1","","Azhakar, Ramachandran; Sarish, Sankaranarayana Pillai; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Regiospecific C‒H Bond Activation: Reactivity Study of N-Heterocyclic Silylene toward Ambidentate Phosphorus Ylide","Organometallics","2011","30","11","2897","","10.1021/om200308u","","","0.56086","AgKα","","0.0699","0.0497","","","0.1153","0.1222","","","","","","1.038","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064748","24.976","0.006","11.607","0.003","35.602","0.009","90","","98.43","0.003","90","","10209","4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H75 N2 O P Si -","- C57 H75 N2 O P Si -","- C456 H600 N16 O8 P8 Si8 -","8","1","","Azhakar, Ramachandran; Sarish, Sankaranarayana Pillai; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Regiospecific C‒H Bond Activation: Reactivity Study of N-Heterocyclic Silylene toward Ambidentate Phosphorus Ylide","Organometallics","2011","30","11","2897","","10.1021/om200308u","","","0.56086","AgKα","","0.0794","0.055","","","0.1434","0.158","","","","","","1.036","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064749","11.026","0.0006","8.3465","0.0004","13.8932","0.0007","90","","107.592","0.001","90","","1218.78","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N O3 Re -","- C13 H8 N O3 Re -","- C52 H32 N4 O12 Re4 -","4","1","","Cautivo, Teresa; Klahn, Hugo; Godoy, Fernando; López, Concepción; Font-Bardía, Mercè; Calvet, Teresa; Gutierrez-Puebla, Enrique; Monge, Angeles","A New Cyclometalation Motif: Synthesis, Characterization, Structures, and Reactivity of Pallada- and Platinacycles with a Bidentate {C(sp2,cyrhetrene),N}−Ligand","Organometallics","2011","30","21","5578","","10.1021/om200310r","","","0.71073","MoKα","","0.0399","0.0319","","","0.0663","0.069","","","","","","1.176","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064750","37.933","0.003","9.1354","0.0007","19.5917","0.0016","90","","116.801","0.001","90","","6059.9","0.8","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H23 Cl2 N O3 P Pd Re -","- C31.5 H23 Cl2 N O3 P Pd Re -","- C252 H184 Cl16 N8 O24 P8 Pd8 Re8 -","8","1","","Cautivo, Teresa; Klahn, Hugo; Godoy, Fernando; López, Concepción; Font-Bardía, Mercè; Calvet, Teresa; Gutierrez-Puebla, Enrique; Monge, Angeles","A New Cyclometalation Motif: Synthesis, Characterization, Structures, and Reactivity of Pallada- and Platinacycles with a Bidentate {C(sp2,cyrhetrene),N}−Ligand","Organometallics","2011","30","21","5578","","10.1021/om200310r","","","0.71073","MoKα","","0.0561","0.0366","","","0.0701","0.0748","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064751","9.282","0.004","10.126","0.003","16.423","0.004","107.34","0.02","92.51","0.02","104.11","0.03","1417.6","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H22 Cl N O3 P Pt Re -","- C31 H22 Cl N O3 P Pt Re -","- C62 H44 Cl2 N2 O6 P2 Pt2 Re2 -","2","1","","Cautivo, Teresa; Klahn, Hugo; Godoy, Fernando; López, Concepción; Font-Bardía, Mercè; Calvet, Teresa; Gutierrez-Puebla, Enrique; Monge, Angeles","A New Cyclometalation Motif: Synthesis, Characterization, Structures, and Reactivity of Pallada- and Platinacycles with a Bidentate {C(sp2,cyrhetrene),N}−Ligand","Organometallics","2011","30","21","5578","","10.1021/om200310r","","","0.71073","MoKα","","0.0519","0.0502","","","0.1371","0.139","","","","","","1.074","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064752","9.806","0.004","10.001","0.002","11.644","0.004","100.81","0.02","101.79","0.02","103.05","0.02","1055.8","0.6","105","2","105","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H15 Cl3 N O4 Pd Re S -","- C16 H15 Cl3 N O4 Pd Re S -","- C32 H30 Cl6 N2 O8 Pd2 Re2 S2 -","2","1","","Cautivo, Teresa; Klahn, Hugo; Godoy, Fernando; López, Concepción; Font-Bardía, Mercè; Calvet, Teresa; Gutierrez-Puebla, Enrique; Monge, Angeles","A New Cyclometalation Motif: Synthesis, Characterization, Structures, and Reactivity of Pallada- and Platinacycles with a Bidentate {C(sp2,cyrhetrene),N}−Ligand","Organometallics","2011","30","21","5578","","10.1021/om200310r","","","0.71073","MoKα","","0.0334","0.0327","","","0.0864","0.087","","","","","","1.102","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064753","9.776","0.003","17.657","0.006","10.232","0.008","90","","99.46","0.03","90","","1742.2","1.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl N O4 Pt Re S -","- C15 H13 Cl N O4 Pt Re S -","- C60 H52 Cl4 N4 O16 Pt4 Re4 S4 -","4","1","","Cautivo, Teresa; Klahn, Hugo; Godoy, Fernando; López, Concepción; Font-Bardía, Mercè; Calvet, Teresa; Gutierrez-Puebla, Enrique; Monge, Angeles","A New Cyclometalation Motif: Synthesis, Characterization, Structures, and Reactivity of Pallada- and Platinacycles with a Bidentate {C(sp2,cyrhetrene),N}−Ligand","Organometallics","2011","30","21","5578","","10.1021/om200310r","","","0.71073","MoKα","","0.0645","0.0333","","","0.0694","0.0767","","","","","","0.938","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064754","19.796","0.005","13.911","0.005","24.521","0.005","90","","95.272","0.005","90","","6724","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H89 Ga N4 Zn -","- C76 H89 Ga N4 Zn -","- C304 H356 Ga4 N16 Zn4 -","4","1","","Fedushkin, Igor L.; Lukoyanov, Anton N.; Tishkina, Alexandra N.; Maslov, Maxim O.; Ketkov, Sergey Yu.; Hummert, Markus","Compounds with Direct Gallium‒Lanthanum and Gallium‒Zinc Bonds","Organometallics","2011","30","13","3628","","10.1021/om200313u","","","0.71069","MoKα","","0.1801","0.0801","","","0.0819","0.1017","","","","","","1.014","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064755","13.0161","0.0005","18.8258","0.0007","21.968","0.0008","113.815","0.001","94.63","0.001","105.413","0.001","4638.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H124 Ga K N4 O5.5 Zn -","- C94 H124 Ga K N4 O5.5 Zn -","- C188 H248 Ga2 K2 N8 O11 Zn2 -","2","1","","Fedushkin, Igor L.; Lukoyanov, Anton N.; Tishkina, Alexandra N.; Maslov, Maxim O.; Ketkov, Sergey Yu.; Hummert, Markus","Compounds with Direct Gallium‒Lanthanum and Gallium‒Zinc Bonds","Organometallics","2011","30","13","3628","","10.1021/om200313u","","","0.71073","MoKα","","0.0896","0.069","","","0.1945","0.2109","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064756","18.9721","0.0003","12.3265","0.0002","23.8937","0.0004","90","","102.323","0.002","90","","5459.03","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H82 Ga La N2 O -","- C62 H82 Ga La N2 O -","- C248 H328 Ga4 La4 N8 O4 -","4","1","","Fedushkin, Igor L.; Lukoyanov, Anton N.; Tishkina, Alexandra N.; Maslov, Maxim O.; Ketkov, Sergey Yu.; Hummert, Markus","Compounds with Direct Gallium‒Lanthanum and Gallium‒Zinc Bonds","Organometallics","2011","30","13","3628","","10.1021/om200313u","","","0.71073","MoKα","","0.1207","0.0638","","","0.1928","0.212","","","","","","1.038","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064757","10.6152","0.0005","12.1","0.001","12.4094","0.0006","103.747","0.001","108.377","0.001","103.579","0.001","1383.89","0.15","148","2","148","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cl6 O2 P Ti -","- C25 H23 Cl6 O2 P Ti -","- C50 H46 Cl12 O4 P2 Ti2 -","2","1","","Liu, Jing-Yu; Liu, San-Rong; Li, Bai-Xiang; Li, Yan-Guo; Li, Yue-Sheng","Synthesis and Characterization of Novel Half-Metallocene-Type Group IV Complexes Containing Phosphine Oxide‒Phenolate Chelating Ligands and Their Application to Ethylene Polymerization","Organometallics","2011","30","15","4052","4059","10.1021/om200317x","","","0.71073","MoKα","","0.0425","0.0366","","","0.0954","0.0994","","","","","","1.065","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064758","9.8668","0.0009","10.3366","0.001","17.1795","0.0016","73.72","0.001","77.134","0.001","89.696","0.001","1636.6","0.3","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Cl6 O2 P Ti -","- C31 H27 Cl6 O2 P Ti -","- C62 H54 Cl12 O4 P2 Ti2 -","2","1","","Liu, Jing-Yu; Liu, San-Rong; Li, Bai-Xiang; Li, Yan-Guo; Li, Yue-Sheng","Synthesis and Characterization of Novel Half-Metallocene-Type Group IV Complexes Containing Phosphine Oxide‒Phenolate Chelating Ligands and Their Application to Ethylene Polymerization","Organometallics","2011","30","15","4052","4059","10.1021/om200317x","","","0.71073","MoKα","","0.0748","0.0511","","","0.1223","0.1378","","","","","","1.015","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064759","10.4659","0.0004","11.4478","0.0005","13.8469","0.0006","84.576","0.001","84.48","0.001","69.257","0.001","1541.02","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 Cl2 O2 P Ti -","- C34 H35 Cl2 O2 P Ti -","- C68 H70 Cl4 O4 P2 Ti2 -","2","1","","Liu, Jing-Yu; Liu, San-Rong; Li, Bai-Xiang; Li, Yan-Guo; Li, Yue-Sheng","Synthesis and Characterization of Novel Half-Metallocene-Type Group IV Complexes Containing Phosphine Oxide‒Phenolate Chelating Ligands and Their Application to Ethylene Polymerization","Organometallics","2011","30","15","4052","4059","10.1021/om200317x","","","0.71073","MoKα","","0.0379","0.0317","","","0.0798","0.084","","","","","","1.046","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064760","10.5395","0.0008","18.0015","0.0014","21.3304","0.0016","66.943","0.001","87.971","0.001","73.78","0.001","3562.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Cl2 O2 P Ti -","- C38 H43 Cl2 O2 P Ti -","- C152 H172 Cl8 O8 P4 Ti4 -","4","2","","Liu, Jing-Yu; Liu, San-Rong; Li, Bai-Xiang; Li, Yan-Guo; Li, Yue-Sheng","Synthesis and Characterization of Novel Half-Metallocene-Type Group IV Complexes Containing Phosphine Oxide‒Phenolate Chelating Ligands and Their Application to Ethylene Polymerization","Organometallics","2011","30","15","4052","","10.1021/om200317x","","","0.71073","MoKα","","0.1114","0.0612","","","0.1529","0.1826","","","","","","1.035","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064761","37.906","0.002","10.3445","0.0007","19.7199","0.0013","90","","90","","90","","7732.5","0.8","187","2","187","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C39 H51 Cl2 O4 P Zr -","- C39 H51 Cl2 O4 P Zr -","- C312 H408 Cl16 O32 P8 Zr8 -","8","1","","Liu, Jing-Yu; Liu, San-Rong; Li, Bai-Xiang; Li, Yan-Guo; Li, Yue-Sheng","Synthesis and Characterization of Novel Half-Metallocene-Type Group IV Complexes Containing Phosphine Oxide‒Phenolate Chelating Ligands and Their Application to Ethylene Polymerization","Organometallics","2011","30","15","4052","","10.1021/om200317x","","","0.71073","MoKα","","0.0732","0.0622","","","0.1548","0.164","","","","","","1.044","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064762","7.809","0.0004","10.7469","0.0015","11.8262","0.0014","90","","90","","90","","992.48","0.19","100","2","100","2","","","","","","","synthesis as described","5","P c n b","-P 2b 2ac","60","","","","- C11 H4 Br F4 N -","- C11 H4 Br F4 N -","- C44 H16 Br4 F16 N4 -","4","0.5","","Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Rodríguez, Laura; Rossell, Oriol; Font-Bardia, Mercè; Gómez-Sal, Pilar; Martín, Avelino; Solans, Xavier","Design and Synthesis of Polytopic Metalloligands Based on Fluoroaryl Gold(I) Organometallic Compounds","Organometallics","2011","30","12","3419","","10.1021/om200318c","","x-ray","0.71073","MoKα","","0.059","0.0365","","","0.0846","0.0944","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064763","9.708","0.001","17.287","0.001","17.724","0.001","90","","93.585","0.001","90","","2968.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Au F8 N3 -","- C26 H36 Au F8 N3 -","- C104 H144 Au4 F32 N12 -","4","1","","Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Rodríguez, Laura; Rossell, Oriol; Font-Bardia, Mercè; Gómez-Sal, Pilar; Martín, Avelino; Solans, Xavier","Design and Synthesis of Polytopic Metalloligands Based on Fluoroaryl Gold(I) Organometallic Compounds","Organometallics","2011","30","12","3419","","10.1021/om200318c","","","0.71069","MoKα","","0.107","0.0423","","","0.0894","0.1011","","","","","","0.82","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064764","13.438","0.001","18.496","0.001","20.214","0.01","90","","90","","90","","5024","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H19 Au F4 N P -","- C29 H19 Au F4 N P -","- C232 H152 Au8 F32 N8 P8 -","8","1","","Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Rodríguez, Laura; Rossell, Oriol; Font-Bardia, Mercè; Gómez-Sal, Pilar; Martín, Avelino; Solans, Xavier","Design and Synthesis of Polytopic Metalloligands Based on Fluoroaryl Gold(I) Organometallic Compounds","Organometallics","2011","30","12","3419","","10.1021/om200318c","","","0.71073","MoKα","","0.0735","0.0374","","","0.0839","0.1061","","","","","","1.232","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064765","32.584","0.002","24.932","0.005","22.09","0.006","90","","119.13","0.01","90","","15676","6","200","2","200","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H51 Au3 F12 N3 P3 -","- C74 H51 Au3 F12 N3 P3 -","- C592 H408 Au24 F96 N24 P24 -","8","1","","Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Rodríguez, Laura; Rossell, Oriol; Font-Bardia, Mercè; Gómez-Sal, Pilar; Martín, Avelino; Solans, Xavier","Design and Synthesis of Polytopic Metalloligands Based on Fluoroaryl Gold(I) Organometallic Compounds","Organometallics","2011","30","12","3419","","10.1021/om200318c","","x-ray","0.71073","MoKα","","0.1462","0.066","","","0.189","0.2169","","","","","","1.14","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064766","14.9845","0.0019","14.9845","0.002","46.536","0.01","90","","90","","90","","10449","3","200","2","200","2","","","","","","","synthesis as described","6","I 41/a :1","I 4bw -1bw","88","","","","- C97 H64 Au4 F16 N4 P4 -","- C97 H64 Au4 F16 N4 P4 -","- C388 H256 Au16 F64 N16 P16 -","4","0.25","","Ferrer, Montserrat; Gutiérrez, Albert; Mounir, Mounia; Rodríguez, Laura; Rossell, Oriol; Font-Bardia, Mercè; Gómez-Sal, Pilar; Martín, Avelino; Solans, Xavier","Design and Synthesis of Polytopic Metalloligands Based on Fluoroaryl Gold(I) Organometallic Compounds","Organometallics","2011","30","12","3419","","10.1021/om200318c","","x-ray","0.71073","MoKα","","0.089","0.0479","","","0.0992","0.1075","","","","","","0.938","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064767","18.5135","0.0016","20.2977","0.0018","21.02","0.0018","90","","90","","90","","7898.9","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H64 Mg N2 O3 -","- C40 H64 Mg N2 O3 -","- C320 H512 Mg8 N16 O24 -","8","1","","Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia","Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands","Organometallics","2011","30","22","6071","","10.1021/om2003199","","","0.71073","MoKα","","0.1424","0.0653","","","0.1765","0.2283","","","","","","1.004","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064768","9.9238","0.0007","10.9398","0.0007","16.2205","0.0011","74.742","0.001","76.352","0.001","82.948","0.001","1647.46","0.19","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Mg N2 O3 -","- C34 H52 Mg N2 O3 -","- C68 H104 Mg2 N4 O6 -","2","1","","Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia","Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands","Organometallics","2011","30","22","6071","","10.1021/om2003199","","","0.71073","MoKα","","0.0604","0.0493","","","0.1369","0.1481","","","","","","1.029","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064769","13.4746","0.0017","12.1227","0.0015","20.8669","0.0019","90","","125.462","0.005","90","","2776.3","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H88 Mg N4 O -","- C60 H88 Mg N4 O -","- C120 H176 Mg2 N8 O2 -","2","0.5","","Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia","Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands","Organometallics","2011","30","22","6071","","10.1021/om2003199","","","0.71073","MoKα","","0.1248","0.0668","","","0.1862","0.2294","","","","","","1.034","","","","has coordinates","189195","2020-10-21","18:00:00",""
"4064770","20.497","0.006","26.472","0.007","14.723","0.004","90","","90","","90","","7989","4","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C44 H56 Mg N4 -","- C44 H56 Mg N4 -","- C352 H448 Mg8 N32 -","8","0.5","","Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia","Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands","Organometallics","2011","30","22","6071","","10.1021/om2003199","","","0.71073","MoKα","","0.082","0.0429","","","0.0971","0.1132","","","","","","1.021","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064771","26.701","0.003","12.6843","0.0016","25.711","0.003","90","","90","","90","","8707.9","1.8","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C84 H136 K2 Mg N4 O10 -","- C84 H136 K2 Mg N4 O10 -","- C336 H544 K8 Mg4 N16 O40 -","4","1","","Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia","Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands","Organometallics","2011","30","22","6071","","10.1021/om2003199","","","0.71073","MoKα","","0.1417","0.0751","","","0.1854","0.226","","","","","","1.053","","","","has coordinates","189195","2020-10-21","18:00:00",""
"4064772","31.7954","0.0007","11.2366","0.0002","23.2234","0.0007","90","","101.389","0.0008","90","","8133.7","0.3","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 Cl8 N2 Ru S2 -","- C34 H44 Cl8 N2 Ru S2 -","- C272 H352 Cl64 N16 Ru8 S16 -","8","1","","Ginzburg, Yakov; Anaby, Aviel; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Widening the Latency Gap in Chelated Ruthenium Olefin Metathesis Catalysts","Organometallics","2011","30","12","3430","","10.1021/om200323c","","","0.71073","MoKα","","0.1176","0.0566","","","0.1227","0.1439","","","","","","0.961","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064773","8.1012","0.0001","30.4955","0.0005","40.8572","0.0008","90","","95.2562","0.0007","90","","10051.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 F3 N2 Ru S -","- C29 H31 Cl2 F3 N2 Ru S -","- C348 H372 Cl24 F36 N24 Ru12 S12 -","12","3","","Ginzburg, Yakov; Anaby, Aviel; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Widening the Latency Gap in Chelated Ruthenium Olefin Metathesis Catalysts","Organometallics","2011","30","12","3430","","10.1021/om200323c","","","0.71073","MoKα","","0.1148","0.0567","","","0.1293","0.1433","","","","","","0.868","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064774","15.9876","0.0003","19.9233","0.0003","11.3939","0.0002","90","","90","","90","","3629.25","0.11","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C32.5 H41 Cl5 N2 O Ru S -","- C32.5 H41 Cl5 N2 O Ru S -","- C130 H164 Cl20 N8 O4 Ru4 S4 -","4","1","","Ginzburg, Yakov; Anaby, Aviel; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Widening the Latency Gap in Chelated Ruthenium Olefin Metathesis Catalysts","Organometallics","2011","30","12","3430","","10.1021/om200323c","","","0.71073","MoKα","","0.0518","0.0405","","","0.0971","0.1031","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064775","17.453","0.003","13.06","0.003","16.282","0.003","90","","95.362","0.003","90","","3695","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Au2 P2 S2 -","- C44 H34 Au2 P2 S2 -","- C176 H136 Au8 P8 S8 -","4","0.5","","Peay, Miya A.; Heckler, James E.; Deligonul, Nihal; Gray, Thomas G.","Red-Shifts upon Metal Binding: A Di-Gold(I)-Substituted Bithiophene","Organometallics","2011","30","18","5071","","10.1021/om2003267","","","0.71073","MoKα","","0.071","0.0376","","","0.1062","0.1404","","","","","","1.004","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064776","7.2103","0.0002","10.7553","0.0003","12.4878","0.0005","108.622","0.001","102.576","0.001","101.895","0.001","855","0.05","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Au Cl2 N O2 -","- C16 H18 Au Cl2 N O2 -","- C32 H36 Au2 Cl4 N2 O4 -","2","1","","Venugopal, Ajay; Shaw, Anthony P.; Törnroos, Karl W.; Heyn, Richard H.; Tilset, Mats","Synthesis of a Coordinatively Labile Gold(III) Methyl Complex","Organometallics","2011","30","12","3250","","10.1021/om200327a","","","0.71073","MoKα","","0.0174","0.0167","","","0.0433","0.0437","","","","","","1.066","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064777","6.8255","0.0003","15.5573","0.0006","14.4009","0.0005","90","","93.975","0.001","90","","1525.5","0.1","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Au F3 N O3 S -","- C14 H13 Au F3 N O3 S -","- C56 H52 Au4 F12 N4 O12 S4 -","4","1","","Venugopal, Ajay; Shaw, Anthony P.; Törnroos, Karl W.; Heyn, Richard H.; Tilset, Mats","Synthesis of a Coordinatively Labile Gold(III) Methyl Complex","Organometallics","2011","30","12","3250","","10.1021/om200327a","","","0.71073","MoKα","","0.0202","0.0174","","","0.0431","0.0441","","","","","","1.076","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064778","9.0011","0.0003","9.712","0.0003","16.8412","0.0005","81.2501","0.0004","86.7247","0.0004","83.6293","0.0003","1444.9","0.08","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H28 Au F3 N O3 P S -","- C32 H28 Au F3 N O3 P S -","- C64 H56 Au2 F6 N2 O6 P2 S2 -","2","1","","Venugopal, Ajay; Shaw, Anthony P.; Törnroos, Karl W.; Heyn, Richard H.; Tilset, Mats","Synthesis of a Coordinatively Labile Gold(III) Methyl Complex","Organometallics","2011","30","12","3250","","10.1021/om200327a","","","0.71073","MoKα","","0.0175","0.017","","","0.0427","0.043","","","","","","1.067","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064779","10.01","0.007","17.441","0.012","14.908","0.01","90","","104.322","0.012","90","","2522","3","122","2","122","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H38.5 Al N4 Si2 -","- C19.532 H38.596 Al N4 Si2 -","- C78.128 H154.384 Al4 N16 Si8 -","4","1","","Koller, Jürgen; Bergman, Robert G.","Highly Efficient Aluminum-Catalyzed Ring-Opening Polymerization of Cyclic Carbonates, Lactones, and Lactides, Including a Unique Crystallographic Snapshot of an Intermediate","Organometallics","2011","30","11","3217","","10.1021/om2003283","","","0.71073","MoKα","","0.2208","0.077","","","0.1355","0.1893","","","","","","0.991","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064780","14.943","0.005","10.526","0.004","20.327","0.007","90","","102.839","0.005","90","","3117.3","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.59 H44.98 Al N4 O3.8 Si2 -","- C21.59 H44.975 Al N4 O3.795 Si2 -","- C86.36 H179.9 Al4 N16 O15.18 Si8 -","4","1","","Koller, Jürgen; Bergman, Robert G.","Highly Efficient Aluminum-Catalyzed Ring-Opening Polymerization of Cyclic Carbonates, Lactones, and Lactides, Including a Unique Crystallographic Snapshot of an Intermediate","Organometallics","2011","30","11","3217","","10.1021/om2003283","","","0.71073","MoKα","","0.1565","0.0652","","","0.1326","0.1749","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064781","15.7797","0.0006","29.1931","0.001","15.587","0.0006","90","","118.778","0.001","90","","6293.5","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 Br2 Fe2 O4 P4 Pt2 -","- C60 H84 Br2 Fe2 O4 P4 Pt2 -","- C240 H336 Br8 Fe8 O16 P16 Pt8 -","4","1","","Zhao, Guang-Zhen; Li, Quan-Jie; Chen, Li-Jun; Tan, Hongwei; Wang, Cui-Hong; Lehman, Danielle A.; Muddiman, David C.; Yang, Hai-Bo","Facile Self-Assembly of Supramolecular Hexakisferrocenyl Triangles via Coordination-Driven Self-Assembly and Their Electrochemical Behavior","Organometallics","2011","30","13","3637","","10.1021/om2003305","","","0.71073","MoKα","","0.0396","0.0273","","","0.0602","0.0652","","","","","","1.033","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064782","11.721","0.002","13.85","0.003","9.0489","0.0018","90","","94.75","0.03","90","","1463.9","0.5","160","2","160","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H20 Al2 B12 Cl12 -","- C8 H20 Al2 B12 Cl12 -","- C16 H40 Al4 B24 Cl24 -","2","0.25","","Kessler, Mathias; Knapp, Carsten; Zogaj, Ardiana","Cationic Dialkyl Metal Compounds of Group 13 Elements (E = Al, Ga, In) Stabilized by the Weakly Coordinating Dianion [B12Cl12]2‒","Organometallics","2011","30","14","3786","","10.1021/om2003333","","","0.71073","MoKα","","0.0475","0.0468","","","0.1102","0.1104","","","","","","1.298","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064783","8.9067","0.0003","10.4467","0.0004","14.0331","0.0005","90","","95.59","0.002","90","","1299.51","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Al2 B12 Cl12 -","- C4 H12 Al2 B12 Cl12 -","- C8 H24 Al4 B24 Cl24 -","2","0.5","","Kessler, Mathias; Knapp, Carsten; Zogaj, Ardiana","Cationic Dialkyl Metal Compounds of Group 13 Elements (E = Al, Ga, In) Stabilized by the Weakly Coordinating Dianion [B12Cl12]2‒","Organometallics","2011","30","14","3786","","10.1021/om2003333","","","0.71073","MoKα","","0.0367","0.0263","","","0.0577","0.062","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064784","8.1411","0.0007","18.597","0.002","23.881","0.003","90","","96.257","0.004","90","","3594","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H14 B2 F20 S2 -","- C38 H14 B2 F20 S2 -","- C152 H56 B8 F80 S8 -","4","1","","Tanur, Cheryl A.; Stephan, Douglas W.","The Thioether‒Methyleneborane (PhSCH2B(C6F5)2)2: Synthesis and Reactivity with Donors and Alkynes","Organometallics","2011","30","13","3652","","10.1021/om200336t","","","0.71073","MoKα","","0.1041","0.0546","","","0.116","0.1373","","","","","","1.015","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064785","31.0478","0.0012","11.4951","0.0004","18.9964","0.0007","90","","122.759","0.002","90","","5701.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H18 B F10 S -","- C33 H18 B F10 S -","- C264 H144 B8 F80 S8 -","8","1","","Tanur, Cheryl A.; Stephan, Douglas W.","The Thioether‒Methyleneborane (PhSCH2B(C6F5)2)2: Synthesis and Reactivity with Donors and Alkynes","Organometallics","2011","30","13","3652","","10.1021/om200336t","","","0.71073","MoKα","","0.0668","0.0436","","","0.1078","0.12","","","","","","1.03","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064786","6.8148","0.0014","11.667","0.002","20.822","0.004","90","","90","","90","","1655.5","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C80 H76 N12 -","4","1","","Xiao, Tianpengfei; Zhang, Shu; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua","Bidentate Iron(II) Dichloride Complexes Bearing Substituted 8-(Benzimidazol-2-yl)quinolines: Synthesis, Characterization, and Ethylene Polymerization Behavior","Organometallics","2011","30","13","3658","","10.1021/om200338b","","","0.71073","MoKα","","","0.056","","","0.1376","0.14","","","","","","1.131","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064787","7.2193","0.0014","17.2","0.003","13.681","0.003","90","","101.78","0.03","90","","1663","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 Fe N3 -","- C18 H15 Cl2 Fe N3 -","- C72 H60 Cl8 Fe4 N12 -","4","1","","Xiao, Tianpengfei; Zhang, Shu; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua","Bidentate Iron(II) Dichloride Complexes Bearing Substituted 8-(Benzimidazol-2-yl)quinolines: Synthesis, Characterization, and Ethylene Polymerization Behavior","Organometallics","2011","30","13","3658","","10.1021/om200338b","","","0.71073","MoKα","","0.1579","0.1143","","","0.1937","0.2096","","","","","","1.277","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064788","14.916","0.003","15.255","0.003","15.909","0.003","90","","94.98","0.03","90","","3606.3","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Cl2 Fe N3 -","- C19 H17 Cl2 Fe N3 -","- C152 H136 Cl16 Fe8 N24 -","8","1","","Xiao, Tianpengfei; Zhang, Shu; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua","Bidentate Iron(II) Dichloride Complexes Bearing Substituted 8-(Benzimidazol-2-yl)quinolines: Synthesis, Characterization, and Ethylene Polymerization Behavior","Organometallics","2011","30","13","3658","","10.1021/om200338b","","","0.71073","MoKα","","","0.0568","","","0.1102","0.1142","","","","","","1.156","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064789","7.7167","0.0015","21.352","0.004","12.813","0.003","90","","102.93","0.03","90","","2057.6","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 Co N4 O -","- C20 H20 Cl2 Co N4 O -","- C80 H80 Cl8 Co4 N16 O4 -","4","1","","Xiao, Tianpengfei; Hao, Peng; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua","Dichlorocobalt(II) Complexes Ligated by Bidentate 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and Catalytic Behavior toward Ethylene","Organometallics","2011","30","18","4847","","10.1021/om2003392","","","0.71073","MoKα","","0.1275","0.0808","","","0.1642","0.1825","","","","","","1.188","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064790","7.1634","0.0014","17.152","0.003","13.66","0.003","90","","101.5","0.03","90","","1644.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 Co N3 -","- C18 H15 Cl2 Co N3 -","- C72 H60 Cl8 Co4 N12 -","4","1","","Xiao, Tianpengfei; Hao, Peng; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua","Dichlorocobalt(II) Complexes Ligated by Bidentate 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and Catalytic Behavior toward Ethylene","Organometallics","2011","30","18","4847","","10.1021/om2003392","","","0.71073","MoKα","","0.0763","0.0581","","","0.122","0.1345","","","","","","1.238","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064791","10.123","0.002","13.542","0.003","12.829","0.003","90","","109.13","0.03","90","","1661.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 Co N3 -","- C18 H15 Cl2 Co N3 -","- C72 H60 Cl8 Co4 N12 -","4","1","","Xiao, Tianpengfei; Hao, Peng; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua","Dichlorocobalt(II) Complexes Ligated by Bidentate 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and Catalytic Behavior toward Ethylene","Organometallics","2011","30","18","4847","","10.1021/om2003392","","","0.71073","MoKα","","","0.0375","","","0.0961","0.0974","","","","","","1.108","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4064792","9.1295","0.0018","9.4876","0.0019","11.438","0.002","82.15","0.03","85.23","0.03","73.3","0.03","939","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cl2 Co N3 -","- C20 H19 Cl2 Co N3 -","- C40 H38 Cl4 Co2 N6 -","2","1","","Xiao, Tianpengfei; Hao, Peng; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua","Dichlorocobalt(II) Complexes Ligated by Bidentate 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and Catalytic Behavior toward Ethylene","Organometallics","2011","30","18","4847","","10.1021/om2003392","","","0.71073","MoKα","","","0.0452","","","0.1198","0.1222","","","","","","1.096","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064793","18.4627","0.0003","15.58519","0.00017","15.9429","0.0002","90","","110.062","0.0017","90","","4309.14","0.11","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 B Cl2 F6 O2 P2 Rh Sb -","- C45 H35 B Cl2 F6 O2 P2 Rh Sb -","- C180 H140 B4 Cl8 F24 O8 P8 Rh4 Sb4 -","4","1","","Conifer, Christopher M.; Law, David J.; Sunley, Glenn J.; White, Andrew J. P.; Britovsek, George J. P.","Lewis Acids and Lewis Acid-Functionalized Ligands in Rhodium-Catalyzed Methyl Acetate Carbonylation","Organometallics","2011","30","15","4060","","10.1021/om200341t","","","0.71073","MoKα","","0.0666","0.0377","","","0.0928","0.1055","","","","","","0.975","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064794","10.56293","0.00004","17.51545","0.00007","23.79538","0.0001","90","","90","","90","","4402.49","0.03","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H39 B F6 N2 P2 Rh Sb -","- C46 H39 B F6 N2 P2 Rh Sb -","- C184 H156 B4 F24 N8 P8 Rh4 Sb4 -","4","1","","Conifer, Christopher M.; Law, David J.; Sunley, Glenn J.; White, Andrew J. P.; Britovsek, George J. P.","Lewis Acids and Lewis Acid-Functionalized Ligands in Rhodium-Catalyzed Methyl Acetate Carbonylation","Organometallics","2011","30","15","4060","","10.1021/om200341t","","","1.54184","CuKα","","0.0278","0.0273","","","0.072","0.0724","","","","","","1.025","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064795","13.418","0.003","20.287","0.004","27.85","0.006","90","","90.38","0.004","90","","7581","3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jonmg30","","","- C42 H60 B O P2 Rh -","- C42 H60 B O P2 Rh -","- C336 H480 B8 O8 P16 Rh8 -","8","2","","Grochowski, Matthew R.; Morris, James; Brennessel, William W.; Jones, William D.","C‒CN Bond Activation of Benzonitrile with [Rh‒I(dippe)]−","Organometallics","2011","30","21","5604","","10.1021/om200342f","","","0.71073","MoKα","","0.1099","0.0687","","","0.1285","0.1484","","","","","","1.025","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064796","12.8017","0.0017","13.4737","0.0018","32.998","0.004","90","","95.547","0.002","90","","5665","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H95 Au Cl P Si -","- C62 H95 Au Cl P Si -","- C248 H380 Au4 Cl4 P4 Si4 -","4","1","","Li, Baolin; Matsuo, Tsukasa; Fukunaga, Takeo; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Neutral and Cationic Gold(I) Complexes with π-Conjugated Phosphasilene Ligands","Organometallics","2011","30","13","3453","","10.1021/om2003442","","","0.71073","MoKα","","0.057","0.0469","","","0.1021","0.1076","","","","","","1.073","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064797","26.492","0.005","18.531","0.003","27.352","0.005","90","","111.718","0.002","90","","12475","4","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C134 H162 Au B Cl4 F20 P2 Si2 -","- C134 H162 Au B Cl4 F20 P2 Si2 -","- C536 H648 Au4 B4 Cl16 F80 P8 Si8 -","4","0.5","","Li, Baolin; Matsuo, Tsukasa; Fukunaga, Takeo; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Neutral and Cationic Gold(I) Complexes with π-Conjugated Phosphasilene Ligands","Organometallics","2011","30","13","3453","","10.1021/om2003442","","","0.71073","MoKα","","0.0756","0.0626","","","0.1511","0.1608","","","","","","1.097","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064798","13.3517","0.0014","25.81","0.003","16.9047","0.0017","90","","92.044","0.002","90","","5821.8","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H188 Au2 Cl6 P2 Si2 -","- C120 H188 Au2 Cl6 P2 Si2 -","- C240 H376 Au4 Cl12 P4 Si4 -","2","0.5","","Li, Baolin; Matsuo, Tsukasa; Fukunaga, Takeo; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Neutral and Cationic Gold(I) Complexes with π-Conjugated Phosphasilene Ligands","Organometallics","2011","30","13","3453","","10.1021/om2003442","","","0.71073","MoKα","","0.0378","0.0323","","","0.0652","0.0682","","","","","","1.087","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064799","12.6617","0.0016","14.789","0.003","17.011","0.003","83.722","0.007","70.328","0.007","66.863","0.006","2757.2","0.8","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H66 P2 Pt S -","- C63 H66 P2 Pt S -","- C126 H132 P4 Pt2 S2 -","2","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71075","MoKα","","","0.0358","","","","0.0938","","","","","","1.065","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064800","14.18","0.005","18.499","0.006","10.098","0.005","90","","109.82","0.03","90","","2492","1.8","200","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 P2 Pt S2 -","- C22 H36 P2 Pt S2 -","- C88 H144 P8 Pt4 S8 -","4","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71069","MoKα","","","0.0367","","","","0.1107","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064801","8.621","0.003","22.96","0.007","16.389","0.005","90","","104.696","0.004","90","","3137.9","1.7","200","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 P2 Pt S2 -","- C28 H48 P2 Pt S2 -","- C112 H192 P8 Pt4 S8 -","4","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71075","MoKα","","","0.0303","","","","0.0884","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064802","13.328","0.005","15.502","0.005","12.606","0.004","92.12","0.03","102.01","0.03","113.58","0.02","2313.7","1.5","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 P2 Pt S2 -","- C52 H48 P2 Pt S2 -","- C104 H96 P4 Pt2 S4 -","2","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71069","MoKα","","","0.0536","","","","0.1593","","","","","","0.733","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064803","18.607","0.006","22.826","0.006","17.401","0.005","90","","90","","90","","7391","4","200","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H42 P2 Pt S2 -","- C42 H42 P2 Pt S2 -","- C336 H336 P16 Pt8 S16 -","8","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71069","MoKα","","","0.0284","","","","0.0795","","","","","","0.53","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064804","18.87","0.003","18.146","0.003","11.1925","0.0013","90","","103.291","0.01","90","","3729.8","1","200","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C43 H44 P2 Pt S2 -","- C43 H44 P2 Pt S2 -","- C172 H176 P8 Pt4 S8 -","4","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71069","MoKα","","","0.03","","","","0.0725","","","","","","0.564","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064805","16.503","0.002","16.256","0.002","32.14","0.004","90","","90","","90","","8622.3","1.8","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44.5 H47 Cl P2 Pt S2 -","- C44.5 H47 Cl P2 Pt S2 -","- C356 H376 Cl8 P16 Pt8 S16 -","8","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71075","MoKα","","","0.051","","","","0.1569","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064806","12.522","0.005","19.773","0.006","14.502","0.005","90","","99.92","0.004","90","","3537","2","199","","199","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 P2 Pt S -","- C41 H40 P2 Pt S -","- C164 H160 P8 Pt4 S4 -","4","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71075","MoKα","","","0.05","","","","0.1244","","","","","","1.01","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064807","24.514","0.005","16.466","0.003","23.715","0.004","90","","90","","90","","9573","3","200","2","200","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C99 H82 B2 Cl8 F8 Fe8 O8 P4 Pd2 -","- C99 H82 B2 Cl8 F8 Fe8 O8 P4 Pd2 -","- C396 H328 B8 Cl32 F32 Fe32 O32 P16 Pd8 -","4","0.5","","Dai, Huei-Fang; Chen, Chia-Hsiang; Yeh, Wen-Yann","Tetrairon Cluster Cp2Fe4(CO)4(C5H4PPh2)2As Flexible Hemilabile Tridentate Ligand","Organometallics","2011","30","12","3438","","10.1021/om200347d","","","0.71073","MoKα","","0.1044","0.0655","","","0.1587","0.1752","","","","","","1.06","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064808","14.3054","0.0006","14.4889","0.0006","14.808","0.0006","65.174","0.002","86.211","0.003","71.206","0.002","2628.5","0.2","200","2","200","2","","","","","","","","10","P -1","-P 1","2","","","","- C51 H43 B Cl2 Cu F4 Fe4 N O4 P2 -","- C51 H43 B Cl2 Cu F4 Fe4 N O4 P2 -","- C102 H86 B2 Cl4 Cu2 F8 Fe8 N2 O8 P4 -","2","1","","Dai, Huei-Fang; Chen, Chia-Hsiang; Yeh, Wen-Yann","Tetrairon Cluster Cp2Fe4(CO)4(C5H4PPh2)2As Flexible Hemilabile Tridentate Ligand","Organometallics","2011","30","12","3438","","10.1021/om200347d","","","0.71073","MoKα","","0.1638","0.0779","","","0.1426","0.1636","","","","","","0.975","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064809","11.909","0.002","12.573","0.003","18.66","0.004","90","","90","","90","","2794","1","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 Cl N3 P Pd -","- C31 H31 Cl N3 P Pd -","- C124 H124 Cl4 N12 P4 Pd4 -","4","1","","Yang, Ming-Jun; Liu, Yan-Jing; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes with Aryl-Based Aminophosphine‒Imidazoline Ligands: Synthesis via Aryl C‒H Activation and Asymmetric Addition of Diarylphosphines to Enones","Organometallics","2011","30","14","3793","","10.1021/om200350h","","","0.71073","MoKα","","0.0339","0.0315","","","0.0786","0.0798","","","","","","1.087","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064810","11.8793","0.0002","12.50471","0.00019","20.1538","0.0004","90","","90","","90","","2993.79","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 Cl N3 P Pd -","- C34 H29 Cl N3 P Pd -","- C136 H116 Cl4 N12 P4 Pd4 -","4","1","","Yang, Ming-Jun; Liu, Yan-Jing; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes with Aryl-Based Aminophosphine‒Imidazoline Ligands: Synthesis via Aryl C‒H Activation and Asymmetric Addition of Diarylphosphines to Enones","Organometallics","2011","30","14","3793","","10.1021/om200350h","","","0.71073","MoKα","","0.0336","0.0269","","","0.0625","0.066","","","","","","1.036","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064811","10.3071","0.0015","13.747","0.002","20.087","0.003","90","","90","","90","","2846.2","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 Cl N3 Ni P -","- C31 H31 Cl N3 Ni P -","- C124 H124 Cl4 N12 Ni4 P4 -","4","1","","Yang, Ming-Jun; Liu, Yan-Jing; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes with Aryl-Based Aminophosphine‒Imidazoline Ligands: Synthesis via Aryl C‒H Activation and Asymmetric Addition of Diarylphosphines to Enones","Organometallics","2011","30","14","3793","","10.1021/om200350h","","","0.71073","MoKα","","0.0547","0.0345","","","0.0738","0.0826","","","","","","1.017","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064812","10.15541","0.00009","15.93322","0.00013","33.9567","0.0003","90","","90","","90","","5494.48","0.08","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H51 Cl7 N4 Pd -","- C50 H50 Cl7 N4 Pd -","- C200 H200 Cl28 N16 Pd4 -","4","1","","Yang, Ming-Jun; Liu, Yan-Jing; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes with Aryl-Based Aminophosphine‒Imidazoline Ligands: Synthesis via Aryl C‒H Activation and Asymmetric Addition of Diarylphosphines to Enones","Organometallics","2011","30","14","3793","","10.1021/om200350h","","","1.54184","CuKα","","0.0725","0.069","","","0.1833","0.1888","","","","","","1.096","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064813","18.243","0.004","28.24","0.005","13.922","0.003","90","","110.23","0.003","90","","6730","2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pt(dippe)(CH=CCN-CH=CH-S)","","","- C19 H35 N P2 Pt S -","- C19 H35 N P2 Pt S -","- C228 H420 N12 P24 Pt12 S12 -","12","3","","Ateşin, Tülay A.; Kundu, Sabuj; Skugrud, Karlyn; Lai, Katherine A.; Swartz, Brett D.; Li, Ting; Brennessel, William W.; Jones, William D.","Predicting Selectivity in Oxidative Addition of C‒S Bonds of Substituted Thiophenes to a Platinum(0) Fragment: An Experimental and Theoretical Study","Organometallics","2011","30","17","4578","","10.1021/om200352d","","","0.71073","MoKα","","0.1425","0.0659","","","0.138","0.1754","","","","","","1.042","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064814","10.5775","0.0008","13.9219","0.001","15.3528","0.0011","90","","103.974","0.001","90","","2193.9","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pt(dippe)(CH=CH-CCN=CH-S)","","","- C19 H35 N P2 Pt S -","- C19 H35 N P2 Pt S -","- C76 H140 N4 P8 Pt4 S4 -","4","1","","Ateşin, Tülay A.; Kundu, Sabuj; Skugrud, Karlyn; Lai, Katherine A.; Swartz, Brett D.; Li, Ting; Brennessel, William W.; Jones, William D.","Predicting Selectivity in Oxidative Addition of C‒S Bonds of Substituted Thiophenes to a Platinum(0) Fragment: An Experimental and Theoretical Study","Organometallics","2011","30","17","4578","","10.1021/om200352d","","","0.71073","MoKα","","0.0392","0.0265","","","0.0579","0.0619","","","","","","1.045","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064815","20.614","0.003","12.7602","0.0012","19.4135","0.0019","90","","118.051","0.002","90","","4506.6","0.9","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pt(dippe)(CH=CH-CH=CMe-S)","","","- C19 H38 P2 Pt S -","- C19 H38 P2 Pt S -","- C152 H304 P16 Pt8 S8 -","8","2","","Ateşin, Tülay A.; Kundu, Sabuj; Skugrud, Karlyn; Lai, Katherine A.; Swartz, Brett D.; Li, Ting; Brennessel, William W.; Jones, William D.","Predicting Selectivity in Oxidative Addition of C‒S Bonds of Substituted Thiophenes to a Platinum(0) Fragment: An Experimental and Theoretical Study","Organometallics","2011","30","17","4578","","10.1021/om200352d","","","0.71073","MoKα","","0.1021","0.045","","","0.0736","0.0883","","","","","","1.022","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064816","10.5944","0.0013","13.958","0.0016","15.3518","0.0018","90","","100.856","0.002","90","","2229.5","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pt(dippe)(CH=CH-CMe=CH-S)","","","- C19 H38 P2 Pt S -","- C19 H38 P2 Pt S -","- C76 H152 P8 Pt4 S4 -","4","1","","Ateşin, Tülay A.; Kundu, Sabuj; Skugrud, Karlyn; Lai, Katherine A.; Swartz, Brett D.; Li, Ting; Brennessel, William W.; Jones, William D.","Predicting Selectivity in Oxidative Addition of C‒S Bonds of Substituted Thiophenes to a Platinum(0) Fragment: An Experimental and Theoretical Study","Organometallics","2011","30","17","4578","","10.1021/om200352d","","","0.71073","MoKα","","0.0626","0.0336","","","0.0649","0.0707","","","","","","1.035","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064817","29.216","0.003","30.589","0.003","10.1233","0.0011","90","","90","","90","","9047.1","1.6","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","Pt(dippe)(COMe=CH-CH=CH-S)","","","- C19 H38 O P2 Pt S -","- C19 H38 O P2 Pt S -","- C304 H608 O16 P32 Pt16 S16 -","16","1","","Ateşin, Tülay A.; Kundu, Sabuj; Skugrud, Karlyn; Lai, Katherine A.; Swartz, Brett D.; Li, Ting; Brennessel, William W.; Jones, William D.","Predicting Selectivity in Oxidative Addition of C‒S Bonds of Substituted Thiophenes to a Platinum(0) Fragment: An Experimental and Theoretical Study","Organometallics","2011","30","17","4578","","10.1021/om200352d","","","0.71073","MoKα","","0.0898","0.0519","","","0.0938","0.1061","","","","","","1.001","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064818","10.6575","0.0013","14.0741","0.0017","15.3785","0.0018","90","","101.688","0.002","90","","2258.9","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pt(dippe)(CH=COMe-CH=CH-S)","","","- C19 H38 O P2 Pt S -","- C19 H38 O P2 Pt S -","- C76 H152 O4 P8 Pt4 S4 -","4","1","","Ateşin, Tülay A.; Kundu, Sabuj; Skugrud, Karlyn; Lai, Katherine A.; Swartz, Brett D.; Li, Ting; Brennessel, William W.; Jones, William D.","Predicting Selectivity in Oxidative Addition of C‒S Bonds of Substituted Thiophenes to a Platinum(0) Fragment: An Experimental and Theoretical Study","Organometallics","2011","30","17","4578","","10.1021/om200352d","","","0.71073","MoKα","","0.0431","0.0272","","","0.0546","0.0599","","","","","","1.044","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064819","11.14968","0.00007","13.38184","0.0001","23.65302","0.00015","90","","90","","90","","3529.11","0.04","140","1","140","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 Cl Co N O2 Pt S -","- C41 H39 Cl Co N O2 Pt S -","- C164 H156 Cl4 Co4 N4 O8 Pt4 S4 -","4","1","","Günay, M. Emin; Hughes, David L.; Richards, Christopher J.","Diastereoselective Synthesis of Planar Chiral Cobalt Metallocene Based Oxazoline Platinacycles","Organometallics","2011","30","14","3901","","10.1021/om200353n","","","0.71073","Mo-Kα","","0.0208","0.0175","","","0.0314","0.0317","","","","","","0.958","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064820","10.4355","0.0001","18.1346","0.0002","37.1996","0.0004","90","","92.392","0.001","90","","7033.65","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(CF3PCP)(CF3PH)Ru2(u-H)(H)2","","","- C51 H43 F48 P8 Ru4 -","- C51 H43 F48 P8 Ru4 -","- C204 H172 F192 P32 Ru16 -","4","1","","Gruver, Brian C.; Adams, Jeramie J.; Warner, Seth J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Ruthenium: Catalytic Alkane Dehydrogenation by (CF3PCP)Ru(cod)(H)","Organometallics","2011","30","19","5133","","10.1021/om200354y","","","0.71073","MoKα","","0.0602","0.0388","","","0.0702","0.0767","","","","","","1.034","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064821","9.7406","0.0003","10.9574","0.0003","15.5252","0.0004","91.681","0.001","97.886","0.001","93.194","0.002","1637.66","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(CF3PCP)Ru(cod)(H)","","","- C48 H32 F48 P8 Ru2 -","- C48 H32 F48 P8 Ru2 -","- C48 H32 F48 P8 Ru2 -","1","0.5","","Gruver, Brian C.; Adams, Jeramie J.; Warner, Seth J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Ruthenium: Catalytic Alkane Dehydrogenation by (CF3PCP)Ru(cod)(H)","Organometallics","2011","30","19","5133","","10.1021/om200354y","","","0.71073","MoKα","","0.0558","0.0448","","","0.1223","0.1307","","","","","","1.044","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064822","9.5162","0.0001","18.0336","0.0002","13.7718","0.0002","90","","103.584","0.001","90","","2297.28","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(CF3PCP)(u-CF3PCPH)Ru(H)]2","","","- C20 H20 F12 P2 Ru -","- C20 H20 F12 P2 Ru -","- C80 H80 F48 P8 Ru4 -","4","1","","Gruver, Brian C.; Adams, Jeramie J.; Warner, Seth J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Ruthenium: Catalytic Alkane Dehydrogenation by (CF3PCP)Ru(cod)(H)","Organometallics","2011","30","19","5133","","10.1021/om200354y","","","0.71073","MoKα","","0.0589","0.0425","","","0.0979","0.1069","","","","","","1.031","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064823","19.2841","0.0003","10.0809","0.0002","19.1078","0.0003","90","","115.39","","90","","3355.79","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(CF3PCP)Ru(dfepe)(H)","","","- C22 H12 F32 P4 Ru -","- C22 H12 F32 P4 Ru -","- C88 H48 F128 P16 Ru4 -","4","1","","Gruver, Brian C.; Adams, Jeramie J.; Warner, Seth J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Ruthenium: Catalytic Alkane Dehydrogenation by (CF3PCP)Ru(cod)(H)","Organometallics","2011","30","19","5133","","10.1021/om200354y","","","0.71073","MoKα","","0.0368","0.0312","","","0.0791","0.083","","","","","","1.026","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064824","10.883","0.0009","10.947","0.0008","12.289","0.001","84.443","0.006","86.082","0.007","70.284","0.006","1370.8","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H42 Hf N2 -","- C29 H42 Hf N2 -","- C58 H84 Hf2 N4 -","2","1","","Haas, Isabelle; Kretschmer, Winfried P.; Kempe, Rhett","Synthesis of Alumina-Terminated Linear PE with a Hafnium Aminopyridinate Catalyst","Organometallics","2011","30","18","4854","","10.1021/om200355q","","","0.71069","MoKα","","0.0364","0.0282","","","0.0685","0.0697","","","","","","1.002","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064825","8.68","0.0003","22.753","0.0009","14.614","0.0005","90","","103.735","0.003","90","","2803.67","0.18","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Hf N2 -","- C30 H44 Hf N2 -","- C120 H176 Hf4 N8 -","4","1","","Haas, Isabelle; Kretschmer, Winfried P.; Kempe, Rhett","Synthesis of Alumina-Terminated Linear PE with a Hafnium Aminopyridinate Catalyst","Organometallics","2011","30","18","4854","","10.1021/om200355q","","","0.71069","MoKα","","0.0561","0.0267","","","0.0531","0.0563","","","","","","0.776","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064826","10.9958","0.0005","15.6539","0.0008","17.5454","0.0009","95.571","0.004","103.256","0.004","99.838","0.004","2867","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 Cl Hf N2 -","- C29 H41 Cl Hf N2 -","- C116 H164 Cl4 Hf4 N8 -","4","2","","Haas, Isabelle; Kretschmer, Winfried P.; Kempe, Rhett","Synthesis of Alumina-Terminated Linear PE with a Hafnium Aminopyridinate Catalyst","Organometallics","2011","30","18","4854","","10.1021/om200355q","","","0.71069","MoKα","","0.109","0.0404","","","0.0698","0.0808","","","","","","0.703","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064827","42.332","0.004","5.5148","0.0005","41.938","0.004","90","","120.266","0.002","90","","8456","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Cl O P -","- C27 H20 Cl O P -","- C432 H320 Cl16 O16 P16 -","16","2","","Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.","κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion","Organometallics","2011","30","14","3804","","10.1021/om200357v","","","0.71073","MoKα","","0.0515","0.0429","","","0.0952","0.0997","","","","","","1.091","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064828","18.3202","0.0016","10.6458","0.0009","16.8451","0.0014","90","","111.483","0.002","90","","3057.1","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 O P2 -","- C39 H28 O P2 -","- C156 H112 O4 P8 -","4","0.5","","Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.","κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion","Organometallics","2011","30","14","3804","","10.1021/om200357v","","","0.71073","MoKα","","0.0481","0.0453","","","0.1195","0.1212","","","","","","1.13","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064829","9.7769","0.0009","12.4243","0.0012","19.6343","0.0018","90","","93.615","0.002","90","","2380.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H38 Cl6 O2 P2 -","- C56 H38 Cl6 O2 P2 -","- C112 H76 Cl12 O4 P4 -","2","0.5","","Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.","κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion","Organometallics","2011","30","14","3804","","10.1021/om200357v","","","0.71073","MoKα","","0.0424","0.0369","","","0.091","0.0945","","","","","","1.037","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064830","24.2699","0.0001","8.90511","0.00006","29.1073","0.0002","90","","90","","90","","6290.85","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C70 H66 O9 S5 -","- C70 H66 O9 S5 -","- C280 H264 O36 S20 -","4","1","","Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.","κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion","Organometallics","2011","30","14","3804","","10.1021/om200357v","","","1.54184","CuKα","","0.0331","0.0321","","","0.0843","0.085","","","","","","1.055","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064831","11.5523","0.0004","11.9264","0.0004","17.104","0.0006","104.621","0.003","98.828","0.003","101.907","0.003","2177.95","0.14","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H18 O2 -","- C30 H18 O2 -","- C120 H72 O8 -","4","2","","Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.","κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion","Organometallics","2011","30","14","3804","","10.1021/om200357v","","","1.54184","CuKα","","0.0456","0.0355","","","0.0901","0.0959","","","","","","1.046","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064832","10.4539","0.0003","12.5942","0.0003","29.1459","0.0007","84.129","0.002","87.199","0.002","81.094","0.002","3769.03","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C161 H117 Cl23 O4 P8 Pd4 -","- C161 H117 Cl23 O4 P8 Pd4 -","- C161 H117 Cl23 O4 P8 Pd4 -","1","0.5","","Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.","κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion","Organometallics","2011","30","14","3804","","10.1021/om200357v","","","1.54184","CuKα","","0.0385","0.031","","","0.0805","0.083","","","","","","1.064","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064833","9.8854","0.0004","12.6342","0.0007","13.3036","0.0006","84.502","0.004","78.088","0.004","69.495","0.005","1522.25","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Cl O P -","- C42 H26 Cl O P -","- C84 H52 Cl2 O2 P2 -","2","1","","Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.","κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion","Organometallics","2011","30","14","3804","","10.1021/om200357v","","","0.71073","MoKα","","0.0529","0.0406","","","0.1086","0.1126","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064834","9.4807","0.0003","14.3847","0.0004","30.6171","0.0009","90","","97.547","0.003","90","","4139.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 Cl8 O P2 Pd -","- C41 H30 Cl8 O P2 Pd -","- C164 H120 Cl32 O4 P8 Pd4 -","4","1","","Milosevic, Sandra; Banide, Emilie V.; Müller-Bunz, Helge; Gilheany, Declan G.; McGlinchey, Michael J.","κ1- and κ2-Complexes of Fluorenylidene‒Allenyl Phosphines and Phosphine Oxides with Palladium Chloride and Iron Carbonyl: Displacement of Trimethylsilyl by Diphenylphosphino via a Stabilized Carbanion","Organometallics","2011","30","14","3804","","10.1021/om200357v","","","0.71073","MoKα","","0.0433","0.0307","","","0.0707","0.0737","","","","","","1.069","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064835","8.8863","0.0008","18.9418","0.0011","15.8136","0.0012","90","","99.651","0.007","90","","2624.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Al2 Mg N2 -","- C24 H40 Al2 Mg N2 -","- C96 H160 Al8 Mg4 N8 -","4","1","","Michel, Olaf; Yamamoto, Koji; Tsurugi, Hayato; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Reactivity of Permethylated Magnesium Complexes toward β-Diimines","Organometallics","2011","30","14","3818","","10.1021/om200361m","","","0.71073","MoKα","","0.0672","0.0516","","","0.0994","0.1046","","","","","","1.208","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064836","8.9465","0.0004","10.0006","0.0004","19.4059","0.0008","79.363","0.001","82.65","0.001","73.638","0.001","1631.99","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 Mg2 N4 -","- C36 H44 Mg2 N4 -","- C72 H88 Mg4 N8 -","2","1","","Michel, Olaf; Yamamoto, Koji; Tsurugi, Hayato; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Reactivity of Permethylated Magnesium Complexes toward β-Diimines","Organometallics","2011","30","14","3818","","10.1021/om200361m","","","0.71073","MoKα","","0.0498","0.0368","","","0.0928","0.0992","","","","","","1.028","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064837","6.8629","0.0018","7.7586","0.0019","11.25","0.003","102.16","0.02","91.06","0.02","90.75","0.02","585.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H34 Al2 N2 -","- C22 H34 Al2 N2 -","- C22 H34 Al2 N2 -","1","0.5","","Michel, Olaf; Yamamoto, Koji; Tsurugi, Hayato; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Reactivity of Permethylated Magnesium Complexes toward β-Diimines","Organometallics","2011","30","14","3818","","10.1021/om200361m","","","0.71073","MoKα","","0.0725","0.0575","","","0.1318","0.1382","","","","","","1.222","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064838","37.826","0.004","11.3329","0.0011","24.359","0.002","90","","112.235","0.009","90","","9665.7","1.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H76 Al2 N2 -","- C45 H76 Al2 N2 -","- C360 H608 Al16 N16 -","8","1","","Michel, Olaf; Yamamoto, Koji; Tsurugi, Hayato; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Reactivity of Permethylated Magnesium Complexes toward β-Diimines","Organometallics","2011","30","14","3818","","10.1021/om200361m","","","0.71073","MoKα","","0.195","0.1489","","","0.2953","0.3116","","","","","","1.598","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064839","8.595","0.0002","11.4426","0.0003","18.598","0.0005","87.51","","89.44","","76.86","","1779.53","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Al2 Ba N2 -","- C32 H56 Al2 Ba N2 -","- C64 H112 Al4 Ba2 N4 -","2","1","","Michel, Olaf; Yamamoto, Koji; Tsurugi, Hayato; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Reactivity of Permethylated Magnesium Complexes toward β-Diimines","Organometallics","2011","30","14","3818","","10.1021/om200361m","","","0.71073","MoKα","","0.0211","0.0204","","","0.0538","0.0542","","","","","","1.099","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064840","8.9628","0.0008","22.453","0.002","19.2162","0.0017","90","","102.029","0.002","90","","3782.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Hf N2 -","- C44 H52 Hf N2 -","- C176 H208 Hf4 N8 -","4","1","","Szuromi, Endre; Klosin, Jerzy; Abboud, Khalil A.","Aminotroponiminato Hafnium and Zirconium Complexes: Synthesis and Ethylene/1-Octene Copolymerization Study","Organometallics","2011","30","17","4589","","10.1021/om200362v","","","0.71073","MoKα","","0.0407","0.0314","","","0.0746","0.0786","","","","","","1.045","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064841","9.7896","0.0008","16.8296","0.0015","13.0562","0.0011","90","","102.361","0.002","90","","2101.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 B F4 N O -","- C21 H28 B F4 N O -","- C84 H112 B4 F16 N4 O4 -","4","1","","Szuromi, Endre; Klosin, Jerzy; Abboud, Khalil A.","Aminotroponiminato Hafnium and Zirconium Complexes: Synthesis and Ethylene/1-Octene Copolymerization Study","Organometallics","2011","30","17","4589","","10.1021/om200362v","","","0.71073","MoK\α","","0.092","0.0549","","","0.1185","0.1319","","","","","","1.035","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064842","16.8303","0.0011","11.97","0.0008","20.6634","0.0014","90","","90","","90","","4162.8","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H32 N2 -","- C23 H32 N2 -","- C184 H256 N16 -","8","2","","Szuromi, Endre; Klosin, Jerzy; Abboud, Khalil A.","Aminotroponiminato Hafnium and Zirconium Complexes: Synthesis and Ethylene/1-Octene Copolymerization Study","Organometallics","2011","30","17","4589","","10.1021/om200362v","","","0.71073","MoK\α","","0.0809","0.0562","","","0.1248","0.1358","","","","","","1.007","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064843","11.1396","0.0013","20.12","0.002","17.133","0.002","90","","94.594","0.002","90","","3827.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Hf N3 -","- C42 H49 Hf N3 -","- C168 H196 Hf4 N12 -","4","1","","Szuromi, Endre; Klosin, Jerzy; Abboud, Khalil A.","Aminotroponiminato Hafnium and Zirconium Complexes: Synthesis and Ethylene/1-Octene Copolymerization Study","Organometallics","2011","30","17","4589","","10.1021/om200362v","","","0.71073","MoK\α","","0.0382","0.0289","","","0.0674","0.0708","","","","","","0.973","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064844","8.1698","0.0014","8.2525","0.0014","14.122","0.003","93.799","0.003","92.376","0.003","112.706","0.003","874.1","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H54 N4 -","- C42 H54 N4 -","- C42 H54 N4 -","1","0.5","","Szuromi, Endre; Klosin, Jerzy; Abboud, Khalil A.","Aminotroponiminato Hafnium and Zirconium Complexes: Synthesis and Ethylene/1-Octene Copolymerization Study","Organometallics","2011","30","17","4589","","10.1021/om200362v","","","0.71073","MoK\α","","0.0793","0.0676","","","0.1854","0.1912","","","","","","1.165","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064845","14.4333","0.0004","11.6644","0.0003","14.9842","0.0004","90","","94.422","0.001","90","","2515.17","0.12","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 La N3 -","- C27 H36 La N3 -","- C108 H144 La4 N12 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2011","30","15","3915","","10.1021/om200363z","","","0.71073","MoKα","","0.0292","0.0251","","","0.0629","0.0657","","","","","","1.067","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064846","14.3904","0.0013","11.6029","0.001","14.9991","0.0013","90","","93.817","0.002","90","","2498.8","0.4","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Ce N3 -","- C27 H36 Ce N3 -","- C108 H144 Ce4 N12 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2011","30","15","3915","","10.1021/om200363z","","","0.71073","MoKα","","0.0422","0.033","","","0.0818","0.0852","","","","","","1.047","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064847","14.3591","0.0006","11.5768","0.0004","15.0116","0.0006","90","","93.622","0.001","90","","2490.43","0.17","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N3 Pr -","- C27 H36 N3 Pr -","- C108 H144 N12 Pr4 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2011","30","15","3915","","10.1021/om200363z","","","0.71073","MoKα","","0.0392","0.0381","","","0.0976","0.0983","","","","","","1.136","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064848","14.3663","0.0012","11.5769","0.001","15.0485","0.0013","90","","93.878","0.002","90","","2497.1","0.4","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N3 Nd -","- C27 H36 N3 Nd -","- C108 H144 N12 Nd4 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2011","30","15","3915","","10.1021/om200363z","","","0.71073","MoKα","","0.0328","0.0309","","","0.0794","0.0805","","","","","","1.109","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064849","14.281","0.003","11.527","0.002","15.021","0.003","90","","93.181","0.004","90","","2468.9","0.8","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N3 Sm -","- C27 H36 N3 Sm -","- C108 H144 N12 Sm4 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2011","30","15","3915","","10.1021/om200363z","","","0.71073","MoKα","","0.0289","0.0253","","","0.0629","0.0648","","","","","","1.084","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064850","14.9873","0.0008","9.817","0.0005","16.9075","0.0009","90","","93.2413","0.0011","90","","2483.6","0.2","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Gd N3 -","- C27 H36 Gd N3 -","- C108 H144 Gd4 N12 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2011","30","15","3915","","10.1021/om200363z","","","0.71073","MoKα","","0.0307","0.0275","","","0.0709","0.0728","","","","","","1.088","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064851","15.004","0.003","10.626","0.002","15.155","0.003","90","","97.07","0.03","90","","2397.8","0.8","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 N3 Y -","- C27 H36 N3 Y -","- C108 H144 N12 Y4 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2011","30","15","3915","","10.1021/om200363z","","","0.71073","MoKα","","0.0712","0.0593","","","0.1429","0.151","","","","","","1.124","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064852","14.215","0.0006","13.9201","0.0005","19.6337","0.0008","90","","90.442","0.001","90","","3884.9","0.3","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C41 H62 La N O3 -","- C41 H62 La N O3 -","- C164 H248 La4 N4 O12 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Synthesis and Reactivity of Homoleptic α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2011","30","15","3915","","10.1021/om200363z","","","0.71073","MoKα","","0.0276","0.0271","","","0.0663","0.0666","","","","","","1.058","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064853","23.7464","0.0013","7.0753","0.0005","29.415","0.002","90","","90","","90","","4942.1","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30.65 H21.3 Cl1.3 N2 O3 Ru -","- C30.65 H21.3 Cl1.3 N2 O3 Ru -","- C245.2 H170.4 Cl10.4 N16 O24 Ru8 -","8","1","","Blanck, Sebastian; Cruchter, Thomas; Vultur, Adina; Riedel, Radostan; Harms, Klaus; Herlyn, Meenhard; Meggers, Eric","Organometallic Pyridylnaphthalimide Complexes as Protein Kinase Inhibitors.","Organometallics","2011","30","17","4598","4606","10.1021/om200366r","","","0.71073","MoKα","","0.1461","0.053","","","0.0981","0.121","","","","","","0.848","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064854","12.695","0.0004","14.1048","0.0004","21.4127","0.0007","102.734","0.002","95.437","0.003","99.004","0.003","3660.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H37 F6 N4 O4 P Ru S3 -","- C32 H37 F6 N4 O4 P Ru S3 -","- C128 H148 F24 N16 O16 P4 Ru4 S12 -","4","2","","Blanck, Sebastian; Cruchter, Thomas; Vultur, Adina; Riedel, Radostan; Harms, Klaus; Herlyn, Meenhard; Meggers, Eric","Organometallic Pyridylnaphthalimide Complexes as Protein Kinase Inhibitors.","Organometallics","2011","30","17","4598","4606","10.1021/om200366r","","","0.71073","MoKα","","0.0667","0.0505","","","0.1285","0.1358","","","","","","1.025","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064855","8.3493","0.0006","11.6436","0.0008","14.5174","0.0008","102.461","0.005","101.109","0.005","101.134","0.005","1311.07","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 F6 N6 O2 P Ru -","- C25 H21 F6 N6 O2 P Ru -","- C50 H42 F12 N12 O4 P2 Ru2 -","2","1","","Blanck, Sebastian; Cruchter, Thomas; Vultur, Adina; Riedel, Radostan; Harms, Klaus; Herlyn, Meenhard; Meggers, Eric","Organometallic Pyridylnaphthalimide Complexes as Protein Kinase Inhibitors.","Organometallics","2011","30","17","4598","4606","10.1021/om200366r","","","0.71073","MoKα","","0.0753","0.0398","","","0.0536","0.0594","","","","","","0.79","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064856","8.8684","0.0018","9.856","0.002","12.098","0.002","92.53","0.03","109.86","0.04","94.5","0.03","988.7","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 Cl N4 -","- C23 H23 Cl N4 -","- C46 H46 Cl2 N8 -","2","1","","Fogler, Eran; Balaraman, Ekambaram; Ben-David, Yehoshua; Leitus, Gregory; Shimon, Linda, J. W.; Milstein, David","New CNN-Type Ruthenium Pincer NHC Complexes. Mild, Efficient Catalytic Hydrogenation of Esters","Organometallics","2011","30","14","3826","","10.1021/om200367j","","","0.71073","MoKα","","0.0524","0.0388","","","0.1019","0.1111","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064857","12.521","0.003","16.06","0.003","26.826","0.008","90","","106.61","0.03","90","","5169","2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H53 Cl N4 O P2 Ru -","- C60.499 H52.998 Cl0.998 N4 O P2 Ru -","- C241.996 H211.992 Cl3.992 N16 O4 P8 Ru4 -","4","1","","Fogler, Eran; Balaraman, Ekambaram; Ben-David, Yehoshua; Leitus, Gregory; Shimon, Linda, J. W.; Milstein, David","New CNN-Type Ruthenium Pincer NHC Complexes. Mild, Efficient Catalytic Hydrogenation of Esters","Organometallics","2011","30","14","3826","","10.1021/om200367j","","","0.71073","MoKα","","0.0705","0.0486","","","0.1115","0.1277","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064858","7.0433","0.0014","10.613","0.002","20.98","0.004","98.1","0.02","94.93","0.03","103.49","0.03","1498.2","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cl4 N8 O5 Ru2 -","- C60 H60 Cl4 N8 O5 Ru2 -","- C60 H60 Cl4 N8 O5 Ru2 -","1","0.5","","Fogler, Eran; Balaraman, Ekambaram; Ben-David, Yehoshua; Leitus, Gregory; Shimon, Linda, J. W.; Milstein, David","New CNN-Type Ruthenium Pincer NHC Complexes. Mild, Efficient Catalytic Hydrogenation of Esters","Organometallics","2011","30","14","3826","","10.1021/om200367j","","","0.71073","MoKα","","0.0573","0.0409","","","0.0946","0.1021","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064859","11.5507","0.0003","17.3308","0.0005","19.5847","0.0005","113.316","0.001","93.094","0.001","101.152","0.001","3495.11","0.17","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H49 B F24 N4 O1.25 P Ru -","- C74 H49 B F24 N4 O1.25 P Ru -","- C148 H98 B2 F48 N8 O2.5 P2 Ru2 -","2","1","","Fogler, Eran; Balaraman, Ekambaram; Ben-David, Yehoshua; Leitus, Gregory; Shimon, Linda, J. W.; Milstein, David","New CNN-Type Ruthenium Pincer NHC Complexes. Mild, Efficient Catalytic Hydrogenation of Esters","Organometallics","2011","30","14","3826","","10.1021/om200367j","","","0.71073","MoKα","","0.0698","0.0515","","","0.1339","0.1411","","","","","","1.037","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064860","8.965","0.003","40.469","0.011","8.409","0.002","90","","115.301","0.004","90","","2758.2","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 O Os P2 -","- C24 H50 O Os P2 -","- C96 H200 O4 Os4 P8 -","4","1","","Esteruelas, Miguel A.; García-Raboso, Jorge; Oliván, Montserrat","Preparation of Half-Sandwich Osmium Complexes by Deprotonation of Aromatic and Pro-aromatic Acids with a Hexahydride Brønsted Base","Organometallics","2011","30","14","3844","","10.1021/om200371r","","","0.71073","MoKα","","0.0894","0.0356","","","0.041","0.0482","","","","","","0.675","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064861","12.589","0.004","11.559","0.004","16.492","0.006","90","","96.38","0.006","90","","2385","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H47 N Os P2 -","- C22 H47 N Os P2 -","- C88 H188 N4 Os4 P8 -","4","1","","Esteruelas, Miguel A.; García-Raboso, Jorge; Oliván, Montserrat","Preparation of Half-Sandwich Osmium Complexes by Deprotonation of Aromatic and Pro-aromatic Acids with a Hexahydride Brønsted Base","Organometallics","2011","30","14","3844","","10.1021/om200371r","","","0.71073","MoKα","","0.0628","0.05","","","0.1022","0.1067","","","","","","1.133","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064862","15.061","0.004","8.6453","0.0012","18.079","0.003","90","","93.36","0.03","90","","2350","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Br Ni P -","- C20 H38 Br Ni P -","- C80 H152 Br4 Ni4 P4 -","4","1","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","0.71073","MoKα","","0.0612","0.0317","","","0.0672","0.0746","","","","","","0.858","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064863","10.01","0.0009","12.6008","0.0011","17.1516","0.0015","74.631","0.01","87.691","0.01","76.631","0.01","2029","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H67 Ni2 O2 -","- C42 H67 Ni2 O2 -","- C84 H134 Ni4 O4 -","2","1","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","0.71073","MoKα","","0.0689","0.0401","","","0.0937","0.1032","","","","","","0.882","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064864","10.404","0.0008","14.2093","0.0008","15.6601","0.0012","90","","93.878","0.009","90","","2309.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C50 H76 Ni2 O2 -","- C50 H76 Ni2 O2 -","- C100 H152 Ni4 O4 -","2","0.5","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","0.71073","MoKα","","0.0747","0.0464","","","0.109","0.1179","","","","","","0.914","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064865","17.571","0.0006","17.2638","0.0008","37.912","0.0025","90","","100.44","0.005","90","","11309.9","1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H42 Br N Ni -","- C30 H42 Br N Ni -","- C480 H672 Br16 N16 Ni16 -","16","4","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","1.54184","CuKα","","0.0812","0.0529","","","0.1278","0.1387","","","","","","0.945","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064866","8.753","0.001","9.081","0.001","9.26","0.001","79.75","0.01","80.04","0.01","61.76","0.01","634.73","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H23 Ni0.5 -","- C14 H23 Ni0.5 -","- C28 H46 Ni -","2","1","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","0.71073","MoKα","","0.0517","0.0408","","","0.0941","0.0987","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064867","9.6646","0.0006","23.3369","0.0019","14.4152","0.0009","90","","92.818","0.007","90","","3247.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Ni P -","- C36 H47 Ni P -","- C144 H188 Ni4 P4 -","4","1","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","0.71073","MoKα","","0.0513","0.0326","","","0.0783","0.0833","","","","","","0.96","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064868","17.719","0.004","8.27","0.008","33.57","0.008","90","","90","","90","","4919","5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H38 Br Ni O3 P -","- C20 H38 Br Ni O3 P -","- C160 H304 Br8 Ni8 O24 P8 -","8","2","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","0.71073","MoKα","","0.2322","0.0494","","","0.0543","0.0815","","","","","","0.718","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064869","12.2297","0.0019","15.732","0.002","17.792","0.002","90","","97.957","0.006","90","","3390.2","0.8","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H60 Ni2 -","- C35 H60 Ni2 -","- C140 H240 Ni8 -","4","1","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","0.71073","MoKα","","0.0932","0.0531","","","0.1144","0.1318","","","","","","1.017","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064870","9.854","0.0005","11.4584","0.0006","16.1062","0.0008","76.032","0.003","79.622","0.004","81.141","0.003","1724.25","0.16","100","2","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H43 Cl2 Mo2 O4 P -","- C36 H43 Cl2 Mo2 O4 P -","- C72 H86 Cl4 Mo4 O8 P2 -","2","1","","Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.","Multisite Reactivity of the Central Mo2CP Core in the Unsaturated Carbyne-Bridged Complex [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(CO)2]","Organometallics","2011","30","14","3694","","10.1021/om2003738","","x-ray","0.71073","MoKα","","0.0797","0.0551","","","0.1328","0.1461","","","","","","1.031","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064871","9.6616","0.0013","14.445","0.002","16.173","0.002","93.467","0.009","97.332","0.008","105.068","0.008","2151.3","0.5","100","2","100","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C45 H49 Cl2 Mo2 N2 O2 P -","- C45 H49 Cl2 Mo2 N2 O2 P -","- C90 H98 Cl4 Mo4 N4 O4 P2 -","2","1","","Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.","Multisite Reactivity of the Central Mo2CP Core in the Unsaturated Carbyne-Bridged Complex [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(CO)2]","Organometallics","2011","30","14","3694","","10.1021/om2003738","","x-ray","0.71073","MoKα","","0.134","0.0715","","","0.1453","0.1651","","","","","","1.021","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064872","10.0964","0.0004","15.835","0.0006","21.7892","0.0008","90","","115.617","0.002","90","","3141.2","0.2","100","2","100","0.1","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl2 Mo2 O2 P Se -","- C32 H39 Cl2 Mo2 O2 P Se -","- C128 H156 Cl8 Mo8 O8 P4 Se4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.","Multisite Reactivity of the Central Mo2CP Core in the Unsaturated Carbyne-Bridged Complex [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(CO)2]","Organometallics","2011","30","14","3694","","10.1021/om2003738","","x-ray","0.71073","MoKα","","0.0837","0.0428","","","0.0595","0.071","","","","","","1.039","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064873","15.4914","0.0014","11.6071","0.001","13.5417","0.0012","90","","104.728","0.002","90","","2354.9","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Cl N2 O Si -","- C25 H37 Cl N2 O Si -","- C100 H148 Cl4 N8 O4 Si4 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Reactions of StableN-Heterocyclic Silylenes with Ketones and 3,5-Di-tert-butyl-o-benzoquinone","Organometallics","2011","30","14","3853","","10.1021/om200388a","","","0.71073","MoKα","","0.0403","0.0366","","","0.0942","0.0964","","","","","","1.122","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064874","10.8117","0.001","14.4507","0.0014","18.4194","0.0018","90","","90","","90","","2877.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 Cl N2 O2 Si -","- C29 H43 Cl N2 O2 Si -","- C116 H172 Cl4 N8 O8 Si4 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Reactions of StableN-Heterocyclic Silylenes with Ketones and 3,5-Di-tert-butyl-o-benzoquinone","Organometallics","2011","30","14","3853","","10.1021/om200388a","","","0.71073","MoKα","","0.0427","0.0351","","","0.0729","0.0764","","","","","","1.038","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064875","12.9856","0.0009","12.9963","0.0009","13.3486","0.0009","73.143","0.001","79.428","0.001","88.466","0.001","2118.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H66 N2 O2 Si -","- C45.5 H66 N2 O2 Si -","- C91 H132 N4 O4 Si2 -","2","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Reactions of StableN-Heterocyclic Silylenes with Ketones and 3,5-Di-tert-butyl-o-benzoquinone","Organometallics","2011","30","14","3853","","10.1021/om200388a","","","0.71073","MoKα","","0.0535","0.0439","","","0.109","0.1151","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064876","21.2031","0.0005","10.0796","0.0002","35.5186","0.0008","90","","104.555","0.001","90","","7347.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H52 Fe N2 O Si -","- C41 H52 Fe N2 O Si -","- C328 H416 Fe8 N16 O8 Si8 -","8","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Reactions of StableN-Heterocyclic Silylenes with Ketones and 3,5-Di-tert-butyl-o-benzoquinone","Organometallics","2011","30","14","3853","","10.1021/om200388a","","","0.71073","MoKα","","0.0407","0.0335","","","0.0774","0.0809","","","","","","1.037","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064877","9.333","0.003","10.019","0.004","11.415","0.005","88.191","0.017","68.322","0.015","71.573","0.014","936.6","0.6","173","2","173","2","","","","","","","synthesis as described","7","P 1","P 1","1","","","","- C36 H38 Cl4 Fe I N P2 -","- C36 H38 Cl4 Fe I N P2 -","- C36 H38 Cl4 Fe I N P2 -","1","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.0647","0.0494","","","0.0991","0.1111","","","","","","1.079","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064878","9.543","0.004","10.217","0.005","11.418","0.005","88.546","0.018","68.285","0.015","71.508","0.016","975.5","0.8","173","2","173","2","","","","","","","synthesis as described","7","P 1","P 1","1","","","","- C36 H38 Cl4 F6 Fe N P3 -","- C36 H38 Cl4 F6 Fe N P3 -","- C36 H38 Cl4 F6 Fe N P3 -","1","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.0892","0.0607","","","0.1386","0.1574","","","","","","1.066","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064879","10.772","0.005","16.338","0.005","23.351","0.005","90","","90","","90","","4110","2","173","2","173","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H44 Cl4 Fe I O3 P3 -","- C37 H44 Cl4 Fe I O3 P3 -","- C148 H176 Cl16 Fe4 I4 O12 P12 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.1102","0.0816","","","0.1622","0.1814","","","","","","1.082","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064880","9.53651","0.00015","17.08203","0.00019","11.01212","0.00016","90","","110.061","0.0017","90","","1685.06","0.04","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C35 H40 Fe I O3 P3 -","- C35 H40 Fe I O3 P3 -","- C70 H80 Fe2 I2 O6 P6 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","1.54184","CuKα","","0.0498","0.0481","","","0.1214","0.1223","","","","","","1.052","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064881","10.169","0.004","16.952","0.005","11.648","0.004","90","","116.418","0.013","90","","1798.3","1.1","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C35 H40 F6 Fe O3 P4 -","- C35 H40 F6 Fe O3 P4 -","- C70 H80 F12 Fe2 O6 P8 -","2","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.1052","0.0645","","","0.126","0.1431","","","","","","1.028","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064882","9.7854","0.0019","16.627","0.003","21.026","0.005","90","","90","","90","","3421","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Fe I O3 P3 -","- C37 H40 Fe I O3 P3 -","- C148 H160 Fe4 I4 O12 P12 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.125","0.0713","","","0.0931","0.1059","","","","","","1.029","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064883","10.087","0.003","16.516","0.003","21.551","0.006","90","","90","","90","","3590.3","1.6","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 F6 Fe O3 P4 -","- C37 H40 F6 Fe O3 P4 -","- C148 H160 F24 Fe4 O12 P16 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.083","0.0539","","","0.1117","0.1241","","","","","","1.054","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064884","9.0022","0.0001","19.6793","0.0003","21.4058","0.0003","90","","90","","90","","3792.19","0.09","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 Fe O3 P3 -","- C34 H37 Fe O3 P3 -","- C136 H148 Fe4 O12 P12 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","1.54184","CuKα","","0.0521","0.0444","","","0.1094","0.1127","","","","","","1.017","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064885","14.3634","0.0007","14.8024","0.0008","15.3413","0.0008","90","","90","","90","","3261.8","0.3","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Ru{C5H3(COOH)2-1,2}(Cp*)]","[Ru{C5H3(COOH)2-1,2}(Cp*)]","","- C17.36 H21.44 O4.36 Ru -","- C17.362 H21.448 O4.362 Ru -","- C138.896 H171.584 O34.896 Ru8 -","8","2","","Pokharel, Uttam Raj; Selegue, John P.; Parkin, Sean","Ruthenocene 1,2-Dicarboxylic Acid, Carboxylic Anhydride, and Acid Chloride: A Facile Route to Metallocene-Fused Acenequinones","Organometallics","2011","30","12","3254","","10.1021/om2003915","","","1.54178","CuKα","","0.023","0.0228","","","0.0606","0.0607","","","","","","1.178","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064886","9.2355","0.0018","25.569","0.005","12.611","0.003","90","","98.75","0.03","90","","2943.3","1.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Ru{C5H3(CO)2O-1,2}(Cp*)]","[Ru{C5H3(CO)2O-1,2}(Cp*)]","","- C17 H18 O3 Ru -","- C17 H18 O3 Ru -","- C136 H144 O24 Ru8 -","8","2","","Pokharel, Uttam Raj; Selegue, John P.; Parkin, Sean","Ruthenocene 1,2-Dicarboxylic Acid, Carboxylic Anhydride, and Acid Chloride: A Facile Route to Metallocene-Fused Acenequinones","Organometallics","2011","30","12","3254","","10.1021/om2003915","","","0.71073","MoKα","","0.0507","0.0319","","","0.0726","0.0811","","","","","","1.052","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064887","7.5391","0.0015","8.2538","0.0017","16.266","0.003","87.43","0.03","86.56","0.03","69.75","0.03","947.6","0.4","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","[Ru{h5-C5H3(CO)2C6H4-1,2}(Cp*)]","[Ru{h5-C5H3(CO)2C6H4-1,2}(Cp*)]","","- C23 H23.68 O2.84 Ru -","- C23 H22 O2.85 Ru -","- C46 H44 O5.7 Ru2 -","2","1","","Pokharel, Uttam Raj; Selegue, John P.; Parkin, Sean","Ruthenocene 1,2-Dicarboxylic Acid, Carboxylic Anhydride, and Acid Chloride: A Facile Route to Metallocene-Fused Acenequinones","Organometallics","2011","30","12","3254","","10.1021/om2003915","","","0.71073","MoKα","","0.0442","0.034","","","0.0794","0.0842","","","","","","1.04","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064888","7.3554","0.0003","11.1759","0.0005","12.9896","0.0005","90","","92.167","0.002","90","","1067.02","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","[Ru(Cp*){1,2-C5H3(CO)2-1,2-C5H3)}Fe(Cp)]","[Ru(Cp*){m2-h5:h5-1,2-C5H3(CO)2-1,2-C5H3)}Fe(Cp)]","","- C27 H26 Fe O2 Ru -","- C27 H26 Fe O2 Ru -","- C54 H52 Fe2 O4 Ru2 -","2","1","","Pokharel, Uttam Raj; Selegue, John P.; Parkin, Sean","Ruthenocene 1,2-Dicarboxylic Acid, Carboxylic Anhydride, and Acid Chloride: A Facile Route to Metallocene-Fused Acenequinones","Organometallics","2011","30","12","3254","","10.1021/om2003915","","","1.54178","CuKα","","0.0667","0.0665","","","0.1958","0.196","","","","","","1.101","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064889","9.6581","0.0003","9.7967","0.0003","22.2923","0.0008","85.176","0.002","84.893","0.002","71.682","0.002","1990.9","0.11","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H57 Cl Fe Ir N2 P S -","- C44 H57 Cl Fe Ir N2 P S -","- C88 H114 Cl2 Fe2 Ir2 N4 P2 S2 -","2","1","","Tian, Rongqiang; Mathey, François","Phosphaferrocene Analogues of Calixpyrroles","Organometallics","2011","30","13","3472","","10.1021/om200393a","","","0.71073","MoKα","","0.0358","0.0292","","","0.0688","0.0786","","","","","","1.14","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064890","9.3305","0.0004","14.5318","0.0006","14.1202","0.0008","90","","102.134","0.001","90","","1871.77","0.15","103","2","103","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H56 Fe2 N2 P2 -","- C44 H56 Fe2 N2 P2 -","- C88 H112 Fe4 N4 P4 -","2","0.25","","Tian, Rongqiang; Mathey, François","Phosphaferrocene Analogues of Calixpyrroles","Organometallics","2011","30","13","3472","","10.1021/om200393a","","","0.71073","MoKα","","0.0473","0.0362","","","0.091","0.1113","","","","","","1.103","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064891","7.5704","0.0015","9.0774","0.0018","12.941","0.003","106.32","0.03","95.94","0.03","111.62","0.03","771.8","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H7 Fe2 N O7 Se2 -","- C10 H7 Fe2 N O7 Se2 -","- C20 H14 Fe4 N2 O14 Se4 -","2","1","","Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin","Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases","Organometallics","2011","30","15","4097","","10.1021/om200395g","","","0.71073","MoKα","","0.1045","0.0552","","","0.0862","0.0991","","","","","","0.979","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064892","9.6208","0.0019","12.657","0.003","15.858","0.003","90","","103.56","0.03","90","","1877.2","0.7","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Fe2 N O7 Se2 -","- C15 H9 Fe2 N O7 Se2 -","- C60 H36 Fe8 N4 O28 Se8 -","4","1","","Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin","Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases","Organometallics","2011","30","15","4097","","10.1021/om200395g","","","0.71073","MoKα","","0.0551","0.0396","","","0.0762","0.0819","","","","","","0.951","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064893","7.8497","0.0016","9.331","0.0019","14.466","0.003","100.16","0.03","100.19","0.03","100.86","0.03","999.8","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Fe2 N O8 Se2 -","- C16 H11 Fe2 N O8 Se2 -","- C32 H22 Fe4 N2 O16 Se4 -","2","1","","Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin","Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases","Organometallics","2011","30","15","4097","","10.1021/om200395g","","","0.71073","MoKα","","0.0512","0.0354","","","0.0682","0.0733","","","","","","0.945","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064894","7.6179","0.0015","9.856","0.002","14.494","0.003","70.78","0.03","81.15","0.03","83.22","0.03","1012.7","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Fe2 N O8 S2 -","- C17 H13 Fe2 N O8 S2 -","- C34 H26 Fe4 N2 O16 S4 -","2","1","","Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin","Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases","Organometallics","2011","30","15","4097","","10.1021/om200395g","","","0.71073","MoKα","","0.0317","0.0247","","","0.0614","0.0629","","","","","","1.006","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064895","7.5643","0.0015","19.01","0.004","11.258","0.002","90","","100.32","0.03","90","","1592.7","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Fe2 N O7 Se2 -","- C11 H9 Fe2 N O7 Se2 -","- C44 H36 Fe8 N4 O28 Se8 -","4","1","","Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin","Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases","Organometallics","2011","30","15","4097","","10.1021/om200395g","","","0.71073","MoKα","","0.0292","0.0241","","","0.0531","0.0544","","","","","","0.971","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064896","14.87","0.003","10.359","0.002","20.674","0.004","90","","105.36","0.03","90","","3070.8","1.1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H11 Fe2 N O7 Se2 -","- C16 H11 Fe2 N O7 Se2 -","- C96 H66 Fe12 N6 O42 Se12 -","6","3","","Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin","Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases","Organometallics","2011","30","15","4097","","10.1021/om200395g","","","0.71073","MoKα","","0.0493","0.0359","","","0.0597","0.0653","","","","","","0.996","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064897","16.102","0.003","20.117","0.004","23.671","0.005","90.33","0.03","99.69","0.03","107.96","0.03","7176","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H13 Cl2 Fe4 N3 O14 S4 -","- C24 H11.5 Cl2 Fe4 N3 O14 S4 -","- C192 H92 Cl16 Fe32 N24 O112 S32 -","8","4","","Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin","Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases","Organometallics","2011","30","15","4097","","10.1021/om200395g","","","0.71073","MoKα","","0.058","0.0431","","","0.1099","0.1269","","","","","","1.035","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064898","39.742","0.008","20.337","0.004","13.912","0.003","90","","109.76","0.03","90","","10582","4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Fe6 N3 O24 S6 -","- C39 H27 Fe6 N3 O24 S6 -","- C312 H216 Fe48 N24 O192 S48 -","8","1","","Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin","Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases","Organometallics","2011","30","15","4097","","10.1021/om200395g","","","0.71073","MoKα","","0.0713","0.0501","","","0.1009","0.11","","","","","","1.047","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064899","15.821","0.006","31.134","0.012","21.92","0.008","90","","109.851","0.005","90","","10156","7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C80 H102 Cl2 F12 Ir6 N8 O12 S4 -","- C80 H102 Cl2 F12 Ir6 N8 O12 S4 -","- C320 H408 Cl8 F48 Ir24 N32 O48 S16 -","4","1","","Yu, Wei-Bin; Lin, Yue-Jian; Jin, Guo-Xin","Discrete Iridamacrocycle Formation via C‒H Activation of an N-Heterocycle","Organometallics","2011","30","14","3905","","10.1021/om200399b","","","0.71073","MoKα","","0.1049","0.0529","","","0.1157","0.1261","","","","","","0.844","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064900","26.159","0.0018","8.5982","0.0002","20.5101","0.0004","90","","90","","90","","4613.1","0.3","85","2","85","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H18 B N S -","- C10 H18 B N S -","- C160 H288 B16 N16 S16 -","16","4","","Rohr, Ahleah D.; Banaszak Holl, Mark M.; Kampf, Jeff W.; Ashe, Arthur J.","2H-1,2-Thiaborin: A New Boron‒Sulfur Heterocycle","Organometallics","2011","30","14","3698","","10.1021/om200400j","","","1.54178","CuKα","","0.0608","0.0502","","","0.1194","0.1278","","","","","","1.076","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064901","11.9117","0.0008","13.3946","0.0004","13.7183","0.0005","111.263","0.002","103.04","0.002","102.296","0.002","1879.52","0.16","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H106 O1.63 Sn2 -","- C88 H106 O1.64 Sn2.02 -","- C88 H106 O1.64 Sn2.02 -","1","0.5","","Summerscales, Owen T.; Olmstead, Marilyn M.; Power, Philip P.","Tethered Heavy Dicarbene Analogues: Synthesis and Structure of Ditetryldiyl Ethers (Ar′E)2(μ-O) (E = Ge, Sn; Ar′ = C6H3-2,6-(C6H3-2,6-iPr2)2)","Organometallics","2011","30","13","3468","","10.1021/om2004018","","","0.71073","MoKα","","0.0274","0.0239","","","0.0614","0.0633","","","","","","1.031","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064902","9.1539","0.0003","12.7546","0.0005","13.0263","0.0005","63.729","0.002","81.404","0.002","69.289","0.002","1275.61","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 Ge O0.62 -","- C30 H37 Ge O0.6232 -","- C60 H74 Ge2 O1.2464 -","2","1","","Summerscales, Owen T.; Olmstead, Marilyn M.; Power, Philip P.","Tethered Heavy Dicarbene Analogues: Synthesis and Structure of Ditetryldiyl Ethers (Ar′E)2(μ-O) (E = Ge, Sn; Ar′ = C6H3-2,6-(C6H3-2,6-iPr2)2)","Organometallics","2011","30","13","3468","","10.1021/om2004018","","","0.71073","MoKα","","0.0263","0.0249","","","0.0619","0.063","","","","","","0.647","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064903","11.7107","0.0002","14.4377","0.0004","22.2159","0.0005","89.098","0.002","77.16","0.002","75.928","0.002","3549.43","0.15","130","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H70 Cl6 O9 P S4 V -","- C65 H68 Cl4 O9 P S4 V -","- C130 H136 Cl8 O18 P2 S8 V2 -","2","1","","Redshaw, Carl; Clowes, Lucy; Hughes, David L.; Elsegood, Mark R. J.; Yamato, Takehiko","Ethylene Polymerization Catalysis by Vanadium-Based Systems Bearing Sulfur-Bridged Calixarenes","Organometallics","2011","30","21","5620","","10.1021/om200402u","","","0.71073","MoKα","","0.1121","0.0649","","","0.1592","0.1725","","","","","","0.968","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064904","13.7043","0.0016","16.4065","0.0019","17.809","0.002","85.5859","0.0016","76.1046","0.0016","74.8501","0.0016","3751.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H72 Cl8 O13 P S4 V -","- C67 H72 Cl8 O13 P S4 V -","- C134 H144 Cl16 O26 P2 S8 V2 -","2","1","","Redshaw, Carl; Clowes, Lucy; Hughes, David L.; Elsegood, Mark R. J.; Yamato, Takehiko","Ethylene Polymerization Catalysis by Vanadium-Based Systems Bearing Sulfur-Bridged Calixarenes","Organometallics","2011","30","21","5620","","10.1021/om200402u","","","0.71073","MoKα","","0.1016","0.0677","","","0.1861","0.2188","","","","","","1.018","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064905","13.56","0.004","18.179","0.005","17.708","0.005","90","","122.93","0.004","90","","3663.8","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N2 Si Zr -","- C44 H44 N2 Si Zr -","- C176 H176 N8 Si4 Zr4 -","4","1","","Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Formation of Zirconocenes Containing Vinyl-imine and Keteniminate Species from Zirconacycles and Diphenylacetonitrile","Organometallics","2011","30","13","3464","","10.1021/om200404p","","","0.71073","MoKα","","0.0879","0.0754","","","0.144","0.1511","","","","","","1.183","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064906","12.193","0.0012","15.7836","0.0015","17.7452","0.0017","90","","91.785","0.002","90","","3413.4","0.6","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Au2 Br2 Cl2 F12 N8 P2 -","- C19 H26 Au2 Br2 Cl2 F12 N8 P2 -","- C76 H104 Au8 Br8 Cl8 F48 N32 P8 -","4","1","","Baron, Marco; Tubaro, Cristina; Basato, Marino; Biffis, Andrea; Natile, Marta M.; Graiff, Claudia","Dinuclear N-Heterocyclic Dicarbene Gold Complexes in I‒III and III‒III Oxidation States: Synthesis and Structural Analysis","Organometallics","2011","30","17","4607","","10.1021/om2004145","","","0.71073","MoKα","","0.0618","0.0337","","","0.0791","0.0864","","","","","","0.936","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064907","9.1548","0.0008","23.627","0.002","18.4503","0.0016","90","","99.639","0.002","90","","3934.5","0.6","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Au2 Br2 Cl4 F12 N8 P2 -","- C20 H28 Au2 Br2 Cl4 F12 N8 P2 -","- C80 H112 Au8 Br8 Cl16 F48 N32 P8 -","4","1","","Baron, Marco; Tubaro, Cristina; Basato, Marino; Biffis, Andrea; Natile, Marta M.; Graiff, Claudia","Dinuclear N-Heterocyclic Dicarbene Gold Complexes in I‒III and III‒III Oxidation States: Synthesis and Structural Analysis","Organometallics","2011","30","17","4607","","10.1021/om2004145","","","0.71073","MoKα","","0.1404","0.052","","","0.1228","0.1581","","","","","","0.987","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064908","8.194","0.003","13.782","0.004","18.827","0.006","90","","82.507","0.006","90","","2108","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Au2 Br6 N4 -","- C9 H12 Au2 Br6 N4 -","- C36 H48 Au8 Br24 N16 -","4","1","","Baron, Marco; Tubaro, Cristina; Basato, Marino; Biffis, Andrea; Natile, Marta M.; Graiff, Claudia","Dinuclear N-Heterocyclic Dicarbene Gold Complexes in I‒III and III‒III Oxidation States: Synthesis and Structural Analysis","Organometallics","2011","30","17","4607","","10.1021/om2004145","","","0.71073","MoKα","","0.1048","0.0616","","","0.1321","0.1434","","","","","","0.965","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064909","12.6394","0.0005","15.0375","0.0006","16.4799","0.0007","64.657","0.001","87.428","0.001","89.027","0.001","2827.9","0.2","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H48 Au3 Br6 F18 N12 P3 -","- C33 H36 Au3 Br6 F18 N12 P3 -","- C66 H72 Au6 Br12 F36 N24 P6 -","2","1","","Baron, Marco; Tubaro, Cristina; Basato, Marino; Biffis, Andrea; Natile, Marta M.; Graiff, Claudia","Dinuclear N-Heterocyclic Dicarbene Gold Complexes in I‒III and III‒III Oxidation States: Synthesis and Structural Analysis","Organometallics","2011","30","17","4607","","10.1021/om2004145","","","0.71073","MoKα","","0.1178","0.066","","","0.1271","0.1447","","","","","","1.022","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064910","8.138","0.006","12.247","0.009","13.659","0.01","73.87","0.013","81.918","0.013","74.257","0.013","1255.6","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Au2 Br4 F12 N10 P2 -","- C36 H42 Au2 Br4 F12 N10 P2 -","- C36 H42 Au2 Br4 F12 N10 P2 -","1","0.5","","Baron, Marco; Tubaro, Cristina; Basato, Marino; Biffis, Andrea; Natile, Marta M.; Graiff, Claudia","Dinuclear N-Heterocyclic Dicarbene Gold Complexes in I‒III and III‒III Oxidation States: Synthesis and Structural Analysis","Organometallics","2011","30","17","4607","","10.1021/om2004145","","","0.71073","MoKα","","0.0964","0.0506","","","0.0896","0.1053","","","","","","0.982","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064911","9.8986","0.0012","18.572","0.002","14.3074","0.0018","90","","94.151","0.001","90","","2623.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 N P Ru -","- C31 H36 N P Ru -","- C124 H144 N4 P4 Ru4 -","4","1","","Hounjet, Lindsay J.; Ferguson, Michael J.; Cowie, Martin","Phosphine‒Amido Complexes of Ruthenium and Mechanistic Implications for Ketone Transfer Hydrogenation Catalysis","Organometallics","2011","30","15","4108","","10.1021/om2004173","","","0.71073","MoKα","","0.0365","0.0299","","","0.0751","0.0791","","","","","","1.042","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064912","10.815","0.003","17.56","0.006","23.07","0.007","90","","90","","90","","4381","2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H48 Fe4 O6 -","- C48 H48 Fe4 O6 -","- C192 H192 Fe16 O24 -","4","1","","Boni, Adriano; Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Reversible Reductive Dimerization of Diiron μ-Vinyl Complex via C‒C Coupling: Characterization and Reactivity of the Intermediate Radical Species","Organometallics","2011","30","15","4115","","10.1021/om200421a","","","0.71073","MoKα","","0.0602","0.0503","","","0.1351","0.1414","","","","","","1.084","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064913","18.936","0.015","8.902","0.005","14.751","0.009","90","","112.461","0.008","90","","2298","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Fe2 O3 S -","- C27 H22 Fe2 O3 S -","- C108 H88 Fe8 O12 S4 -","4","1","","Boni, Adriano; Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Reversible Reductive Dimerization of Diiron μ-Vinyl Complex via C‒C Coupling: Characterization and Reactivity of the Intermediate Radical Species","Organometallics","2011","30","15","4115","","10.1021/om200421a","","","0.71073","MoKα","","0.1563","0.1195","","","0.2948","0.3114","","","","","","1.868","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064914","9.03","0.0007","10.663","0.0008","16.9402","0.0013","105.113","0.006","95.32","0.006","92.209","0.006","1564.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H41 Bi Mo N2 O Si2 -","- C31.5 H41 Bi Mo N2 O Si2 -","- C63 H82 Bi2 Mo2 N4 O2 Si4 -","2","1","","Knispel, Christina; Limberg, Christian","C‒H Bond Activation in a Molybdenumoxo-Bismuth Compound","Organometallics","2011","30","14","3701","","10.1021/om2004223","","","0.71073","MoKα","","0.037","0.0333","","","0.0812","0.0827","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064915","10.113","0.0004","11.3801","0.0005","13.7665","0.0006","85.789","0.004","68.959","0.004","73.559","0.004","1417.54","0.12","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N3 P Zn -","- C29 H26 N3 P Zn -","- C58 H52 N6 P2 Zn2 -","2","1","","Ma, Wen-An; Wang, Zhong-Xia","Zinc and Aluminum Complexes Supported by Quinoline-Based N,N,N-Chelate Ligands: Synthesis, Characterization, and Catalysis in the Ring-Opening Polymerization of ε-Caprolactone andrac-Lactide","Organometallics","2011","30","16","4364","","10.1021/om200423g","","","1.54184","CuKα","","0.0491","0.0433","","","0.1063","0.1087","","","","","","1.052","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064916","9.749","0.005","10.56","0.005","18.134","0.005","104.816","0.005","95.061","0.005","102.46","0.005","1741.9","1.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Al N3 P -","- C29 H27 Al N3 P -","- C58 H54 Al2 N6 P2 -","2","1","","Ma, Wen-An; Wang, Zhong-Xia","Zinc and Aluminum Complexes Supported by Quinoline-Based N,N,N-Chelate Ligands: Synthesis, Characterization, and Catalysis in the Ring-Opening Polymerization of ε-Caprolactone andrac-Lactide","Organometallics","2011","30","16","4364","","10.1021/om200423g","","","1.54184","CuKα","","0.0664","0.0578","","","0.1565","0.1591","","","","","","1.004","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064917","11.623","0.0004","12.7857","0.0006","14.1984","0.0006","86.513","0.004","68.431","0.004","85.898","0.003","1955.86","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 N3 P Zn -","- C44 H40 N3 P Zn -","- C88 H80 N6 P2 Zn2 -","2","1","","Ma, Wen-An; Wang, Zhong-Xia","Zinc and Aluminum Complexes Supported by Quinoline-Based N,N,N-Chelate Ligands: Synthesis, Characterization, and Catalysis in the Ring-Opening Polymerization of ε-Caprolactone andrac-Lactide","Organometallics","2011","30","16","4364","","10.1021/om200423g","","","0.71073","MoKα","","0.0813","0.0578","","","0.1473","0.1592","","","","","","1.041","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064918","22.133","0.002","11.277","0.001","36.196","0.003","90","","107.595","0.002","90","","8611.6","1.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H47 Al N3 P -","- C50 H47 Al N3 P -","- C400 H376 Al8 N24 P8 -","8","2","","Ma, Wen-An; Wang, Zhong-Xia","Zinc and Aluminum Complexes Supported by Quinoline-Based N,N,N-Chelate Ligands: Synthesis, Characterization, and Catalysis in the Ring-Opening Polymerization of ε-Caprolactone andrac-Lactide","Organometallics","2011","30","16","4364","","10.1021/om200423g","","","0.71073","MoKα","","0.1455","0.0476","","","0.0504","0.0627","","","","","","0.854","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064919","6.227","0.0003","19.5491","0.0008","7.7898","0.0003","90","","98.469","0.002","90","","937.93","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F6 N2 O6 S2 -","- C14 H14 F6 N2 O6 S2 -","- C28 H28 F12 N4 O12 S4 -","2","0.5","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","The Chemistry of [PtMe2(1,2-bis(2-pyridyl)ethane)]: Remarkable Impact of an Easily Dissociated Chelate Ligand","Organometallics","2011","30","21","5625","","10.1021/om200427b","","","0.71073","MoKα","","0.0512","0.0393","","","0.1055","0.1132","","","","","","1.073","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064920","21.9251","0.0015","10.4654","0.0007","17.4164","0.0012","90","","124.058","0.003","90","","3310.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H12 Cl I2 N2 Pt -","- C12.5 H12 Cl I2 N2 Pt -","- C100 H96 Cl8 I16 N16 Pt8 -","8","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","The Chemistry of [PtMe2(1,2-bis(2-pyridyl)ethane)]: Remarkable Impact of an Easily Dissociated Chelate Ligand","Organometallics","2011","30","21","5625","","10.1021/om200427b","","","0.71073","MoKα","","0.0701","0.0452","","","0.1054","0.1156","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064921","16.678","0.003","10.644","0.002","16.022","0.003","90","","90","","90","","2844.2","0.9","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H11.5 I2 N2 Pt -","- C12 H11.5 I2 N2 Pt -","- C96 H92 I16 N16 Pt8 -","8","2","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","The Chemistry of [PtMe2(1,2-bis(2-pyridyl)ethane)]: Remarkable Impact of an Easily Dissociated Chelate Ligand","Organometallics","2011","30","21","5625","","10.1021/om200427b","","","0.71073","MoKα","","0.0945","0.0622","","","0.1538","0.1878","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064922","10.9893","0.0006","10.9576","0.0008","15.1648","0.001","90","","105.78","0.004","90","","1757.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 I2 N2 Pt -","- C15 H20 I2 N2 Pt -","- C60 H80 I8 N8 Pt4 -","4","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","The Chemistry of [PtMe2(1,2-bis(2-pyridyl)ethane)]: Remarkable Impact of an Easily Dissociated Chelate Ligand","Organometallics","2011","30","21","5625","","10.1021/om200427b","","","0.71073","MoKα","","0.068","0.056","","","0.1509","0.1593","","","","","","1.05","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064923","11.3138","0.0004","13.9347","0.0003","16.6656","0.0005","90","","106.78","0.001","90","","2515.53","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 N2 O6 Pt3 -","- C20 H36 N2 O6 Pt3 -","- C80 H144 N8 O24 Pt12 -","4","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","The Chemistry of [PtMe2(1,2-bis(2-pyridyl)ethane)]: Remarkable Impact of an Easily Dissociated Chelate Ligand","Organometallics","2011","30","21","5625","","10.1021/om200427b","","","0.71073","MoKα","","0.046","0.0364","","","0.088","0.0919","","","","","","1.042","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064924","8.74","0.0017","9.2334","0.0018","9.889","0.002","70.96","0.03","64.9","0.03","81.15","0.03","683","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H52 O8 Pt4 -","- C16 H52 O8 Pt4 -","- C16 H52 O8 Pt4 -","1","0.5","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","The Chemistry of [PtMe2(1,2-bis(2-pyridyl)ethane)]: Remarkable Impact of an Easily Dissociated Chelate Ligand","Organometallics","2011","30","21","5625","","10.1021/om200427b","","","0.71073","MoKα","","0.0505","0.0454","","","0.121","0.1248","","","","","","1.069","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064925","11.1181","0.0007","19.0035","0.0011","15.8782","0.001","90","","96.636","0.0011","90","","3332.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 N2 Yb -","- C38 H50 N2 Yb -","- C152 H200 N8 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Lyssenko, Konstantin A.; Larionova, Joulia; Fukin, Georgy K.; Cherkasov, Anton V.","Sterically Governed Redox Reactions. One-Electron Oxidation of Ytterbocenes by Diazabutadienes: Formation of Radical-Anionic Diazabutadiene vs Covalently Bonded Imino‒Amido Ligand","Organometallics","2011","30","18","4882","","10.1021/om200429h","","","0.71073","MoKα","","0.0249","0.0189","","","0.0428","0.0457","","","","","","1.022","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064926","10.0873","0.0011","12.3074","0.0013","15.8869","0.0017","68.9076","0.0017","76.2655","0.0017","69.3933","0.0017","1708.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H52 N2 Yb -","- C39 H46 N2 Yb -","- C78 H92 N4 Yb2 -","2","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Lyssenko, Konstantin A.; Larionova, Joulia; Fukin, Georgy K.; Cherkasov, Anton V.","Sterically Governed Redox Reactions. One-Electron Oxidation of Ytterbocenes by Diazabutadienes: Formation of Radical-Anionic Diazabutadiene vs Covalently Bonded Imino‒Amido Ligand","Organometallics","2011","30","18","4882","","10.1021/om200429h","","","0.71073","MoKα","","0.034","0.0326","","","0.0792","0.0799","","","","","","1.041","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064927","9.6373","0.0007","15.6545","0.0011","15.947","0.0012","90","","105.535","0.001","90","","2318","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N2 Yb -","- C28 H31 N2 Yb -","- C112 H124 N8 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Lyssenko, Konstantin A.; Larionova, Joulia; Fukin, Georgy K.; Cherkasov, Anton V.","Sterically Governed Redox Reactions. One-Electron Oxidation of Ytterbocenes by Diazabutadienes: Formation of Radical-Anionic Diazabutadiene vs Covalently Bonded Imino‒Amido Ligand","Organometallics","2011","30","18","4882","","10.1021/om200429h","","","0.71073","MoKα","","0.0462","0.03","","","0.0653","0.0715","","","","","","1.045","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064928","14.7952","0.0011","14.9277","0.0011","13.3859","0.001","90","","97.245","0.001","90","","2932.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 N2 Yb -","- C34 H42 N2 Yb -","- C136 H168 N8 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Lyssenko, Konstantin A.; Larionova, Joulia; Fukin, Georgy K.; Cherkasov, Anton V.","Sterically Governed Redox Reactions. One-Electron Oxidation of Ytterbocenes by Diazabutadienes: Formation of Radical-Anionic Diazabutadiene vs Covalently Bonded Imino‒Amido Ligand","Organometallics","2011","30","18","4882","","10.1021/om200429h","","","0.71073","MoKα","","0.0411","0.026","","","0.0619","0.0722","","","","","","1.034","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064929","11.0041","0.0007","11.0846","0.0008","16.8992","0.0012","94.025","0.006","92.167","0.006","113.805","0.007","1876.3","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 Ni Zn3 -","- C40 H60 Ni Zn3 -","- C80 H120 Ni2 Zn6 -","2","1","","Bollermann, Timo; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W.; Fischer, Roland A.","Reactivity of [Zn2Cp*2] toward Transition-Metal Complexes: Synthesis and Characterization of [Cp*M(ZnCp*)3] (M = Ni, Pd, Pt)","Organometallics","2011","30","15","4123","","10.1021/om200430t","","","0.71073","MoKα","","0.0778","0.0664","","","0.1704","0.1778","","","","","","1.063","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064930","11.0373","0.0005","17.286","0.0009","30.58","0.0015","89.836","0.004","84.948","0.004","87.393","0.004","5805.7","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 Pt Zn3 -","- C40 H60 Pt Zn3 -","- C240 H360 Pt6 Zn18 -","6","3","","Bollermann, Timo; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W.; Fischer, Roland A.","Reactivity of [Zn2Cp*2] toward Transition-Metal Complexes: Synthesis and Characterization of [Cp*M(ZnCp*)3] (M = Ni, Pd, Pt)","Organometallics","2011","30","15","4123","","10.1021/om200430t","","","0.71073","MoKα","","0.1663","0.1011","","","0.2139","0.2509","","","","","","1.178","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064931","11.0117","0.0011","11.0198","0.0009","17.2737","0.0013","91.914","0.006","92.36","0.007","113.629","0.009","1915.9","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 Pd Zn3 -","- C40 H60 Pd Zn3 -","- C80 H120 Pd2 Zn6 -","2","1","","Bollermann, Timo; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W.; Fischer, Roland A.","Reactivity of [Zn2Cp*2] toward Transition-Metal Complexes: Synthesis and Characterization of [Cp*M(ZnCp*)3] (M = Ni, Pd, Pt)","Organometallics","2011","30","15","4123","","10.1021/om200430t","","","0.71073","MoKα","","0.118","0.0637","","","0.1045","0.1204","","","","","","0.979","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064932","9.2863","0.0004","11.6174","0.0004","21.6493","0.0006","90","","95.3","0.002","90","","2325.6","0.14","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 O6 P Si2 W -","- C17 H27 O6 P Si2 W -","- C68 H108 O24 P4 Si8 W4 -","4","1","","Pérez, Janaina Marinas; Klein, Melina; Kyri, Andreas Wolfgang; Schnakenburg, Gregor; Streubel, Rainer","First Examples of Spirooxaphosphirane Complexes","Organometallics","2011","30","21","5636","","10.1021/om200431f","","","0.71073","MoKα","","0.0387","0.0282","","","0.0599","0.0624","","","","","","0.979","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064933","10.7439","0.0003","15.2447","0.0003","16.2191","0.0004","113.999","0.0012","102.922","0.0013","99.5701","0.0013","2264.55","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 O6 P Si2 W -","- C16 H25 O6 P Si2 W -","- C64 H100 O24 P4 Si8 W4 -","4","2","","Pérez, Janaina Marinas; Klein, Melina; Kyri, Andreas Wolfgang; Schnakenburg, Gregor; Streubel, Rainer","First Examples of Spirooxaphosphirane Complexes","Organometallics","2011","30","21","5636","","10.1021/om200431f","","","0.71073","MoKα","","0.0302","0.0241","","","0.0569","0.0585","","","","","","1.015","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064934","9.4702","0.0004","11.4948","0.0005","27.2741","0.0012","90","","97.782","0.002","90","","2941.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 O6 P Si2 W -","- C27 H29 O6 P Si2 W -","- C108 H116 O24 P4 Si8 W4 -","4","1","","Pérez, Janaina Marinas; Klein, Melina; Kyri, Andreas Wolfgang; Schnakenburg, Gregor; Streubel, Rainer","First Examples of Spirooxaphosphirane Complexes","Organometallics","2011","30","21","5636","","10.1021/om200431f","","","0.71073","MoKα","","0.0459","0.0429","","","0.1049","0.1064","","","","","","1.135","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064935","11.752","0.003","26.728","0.008","9.396","0.003","90","","90","","90","","2951.4","1.5","208","2","208","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H46 N O2 Ta -","- C30 H46 N O2 Ta -","- C120 H184 N4 O8 Ta4 -","4","0.5","","Zarkesh, Ryan A.; Heyduk, Alan F.","Reactivity of Organometallic Tantalum Complexes Containing a Bis(phenoxy)amide (ONO)3‒Ligand with Aryl Azides and 1,2-Diphenylhydrazine","Organometallics","2011","30","18","4890","","10.1021/om2004332","","","0.71073","MoKα","","0.0411","0.032","","","0.072","0.0757","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4064936","19.966","0.0015","17.1104","0.0013","12.9621","0.001","90","","101.503","0.001","90","","4339.3","0.6","143","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 N7 O2 Ta -","- C44 H60 N7 O2 Ta -","- C176 H240 N28 O8 Ta4 -","4","0.5","","Zarkesh, Ryan A.; Heyduk, Alan F.","Reactivity of Organometallic Tantalum Complexes Containing a Bis(phenoxy)amide (ONO)3‒Ligand with Aryl Azides and 1,2-Diphenylhydrazine","Organometallics","2011","30","18","4890","","10.1021/om2004332","","","0.71073","MoKα","","0.025","0.0224","","","0.0558","0.0572","","","","","","1.089","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064937","8.0971","0.0003","12.8336","0.0008","21.6709","0.0012","90","","95.956","0.003","90","","2239.8","0.2","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H38 Cl N O Os P2 -","- C17 H38 Cl N O Os P2 -","- C68 H152 Cl4 N4 O4 Os4 P8 -","4","1","","Bertoli, Marcello; Choualeb, Aldjia; Lough, Alan J.; Moore, Brandon; Spasyuk, Denis; Gusev, Dmitry G.","Osmium and Ruthenium Catalysts for Dehydrogenation of Alcohols","Organometallics","2011","30","13","3479","","10.1021/om200437n","","","0.71073","MoKα","","0.0804","0.0459","","","0.0982","0.1155","","","","","","1.074","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064938","13.542","0.0002","14.3778","0.0004","21.6766","0.0007","90","","90","","90","","4220.52","0.19","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H39 N O Os P2 -","- C17 H39 N O Os P2 -","- C136 H312 N8 O8 Os8 P16 -","8","1","","Bertoli, Marcello; Choualeb, Aldjia; Lough, Alan J.; Moore, Brandon; Spasyuk, Denis; Gusev, Dmitry G.","Osmium and Ruthenium Catalysts for Dehydrogenation of Alcohols","Organometallics","2011","30","13","3479","","10.1021/om200437n","","","0.71073","MoKα","","0.0722","0.0431","","","0.1004","0.116","","","","","","1.03","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064939","13.5272","0.0011","13.5529","0.0006","15.7136","0.0011","90","","90.979","0.003","90","","2880.4","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H53 N O3 P2 Ru -","- C23 H53 N O3 P2 Ru -","- C92 H212 N4 O12 P8 Ru4 -","4","1","","Bertoli, Marcello; Choualeb, Aldjia; Lough, Alan J.; Moore, Brandon; Spasyuk, Denis; Gusev, Dmitry G.","Osmium and Ruthenium Catalysts for Dehydrogenation of Alcohols","Organometallics","2011","30","13","3479","","10.1021/om200437n","","","0.71073","MoKα","","0.1563","0.0839","","","0.1934","0.2268","","","","","","1.036","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064940","10.8771","0.0006","20.2402","0.0012","15.8448","0.0011","90","","90","","90","","3488.3","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H51 Cl7 N2 Ni P2 -","- C22 H51 Cl7 N2 Ni P2 -","- C88 H204 Cl28 N8 Ni4 P8 -","4","1","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0768","0.0554","","","0.1415","0.1544","","","","","","1.048","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064941","15.454","0.002","10.741","0.0014","16.245","0.002","90","","112.477","0.004","90","","2491.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H43 I N2 P2 Pd -","- C19 H43 I N2 P2 Pd -","- C76 H172 I4 N8 P8 Pd4 -","4","1","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0257","0.0228","","","0.0575","0.0591","","","","","","0.978","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064942","11.6462","0.001","14.1879","0.0013","15.041","0.0013","90","","90","","90","","2485.3","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H43 Cl N2 Ni P2 -","- C19 H43 Cl N2 Ni P2 -","- C76 H172 Cl4 N8 Ni4 P8 -","4","1","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0914","0.0482","","","0.0857","0.0998","","","","","","1.005","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064943","11.8428","0.0008","14.4447","0.0009","14.7145","0.0011","90","","103.688","0.004","90","","2445.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H43 Cl N2 Ni P2 -","- C19 H43 Cl N2 Ni P2 -","- C76 H172 Cl4 N8 Ni4 P8 -","4","1","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0966","0.0529","","","0.1235","0.1434","","","","","","1.025","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064944","8.0239","0.0011","14.246","0.002","10.4439","0.0014","90","","99.861","0.009","90","","1176.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H41 Cl N2 Ni P2 -","- C18 H41 Cl N2 Ni P2 -","- C36 H82 Cl2 N4 Ni2 P4 -","2","0.5","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0923","0.0546","","","0.1362","0.155","","","","","","1.074","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064945","11.7918","0.0003","11.7918","0.0003","9.4299","0.0003","90","","90","","90","","1311.2","0.06","150","2","150","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C20 H45 I N2 P2 Pd -","- C20 H42 I N2 P2 Pd -","- C40 H84 I2 N4 P4 Pd2 -","2","0.25","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0497","0.0413","","","0.0936","0.0977","","","","","","1.117","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064946","8.7937","0.0003","11.7012","0.0004","24.3196","0.0009","90","","90.332","0.002","90","","2502.37","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11.25 Cl N2 P2 Pd -","- C20 H42 Cl N2 P2 Pd -","- C80 H168 Cl4 N8 P8 Pd4 -","4","1","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0518","0.0381","","","0.0935","0.0996","","","","","","1.022","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064947","7.615","0.0013","14.252","0.002","30.775","0.005","90","","90","","90","","3340","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Au Cl4 I N3 O -","- C32 H27 Au Cl4 I N3 O -","- C128 H108 Au4 Cl16 I4 N12 O4 -","4","1","","Wang, Wenfeng; Yang, Jinming; Wang, Feijun; Shi, Min","Axially Chiral N-Heterocyclic Carbene Gold(I) Complex Catalyzed Asymmetric Cycloisomerization of 1,6-Enynes","Organometallics","2011","30","14","3859","","10.1021/om2004404","","","0.71073","MoKα","","0.101","0.0635","","","0.1464","0.16","","","","","","0.919","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064948","9.3794","0.0009","10.4522","0.001","20.784","0.002","85.843","0.002","77.783","0.002","80.838","0.002","1964.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Au2 I2 N6 -","- C40 H32 Au2 I2 N6 -","- C80 H64 Au4 I4 N12 -","2","1","","Wang, Wenfeng; Yang, Jinming; Wang, Feijun; Shi, Min","Axially Chiral N-Heterocyclic Carbene Gold(I) Complex Catalyzed Asymmetric Cycloisomerization of 1,6-Enynes","Organometallics","2011","30","14","3859","","10.1021/om2004404","","","0.71073","MoKα","","0.0554","0.0448","","","0.1129","0.1176","","","","","","1.005","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064949","12.8532","0.0014","7.4498","0.0008","14.7707","0.0017","90","","90.459","0.002","90","","1414.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H27 Au I N3 -","- C32 H27 Au I N3 -","- C64 H54 Au2 I2 N6 -","2","1","","Wang, Wenfeng; Yang, Jinming; Wang, Feijun; Shi, Min","Axially Chiral N-Heterocyclic Carbene Gold(I) Complex Catalyzed Asymmetric Cycloisomerization of 1,6-Enynes","Organometallics","2011","30","14","3859","","10.1021/om2004404","","","0.71073","MoKα","","0.0499","0.0406","","","0.079","0.0824","","","","","","0.904","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064950","9.2269","0.0005","16.2635","0.0008","19.5119","0.001","90","","90","","90","","2928","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H47 N4 O Ta -","- C29 H47 N4 O Ta -","- C116 H188 N16 O4 Ta4 -","4","1","","Hansen, Michelle C.; Heusser, Carolyn A.; Narayan, Tarun C.; Fong, Kristine E.; Hara, Nagiko; Kohn, Alexander W.; Venning, Alexander R.; Rheingold, Arnold L.; Johnson, Adam R.","Asymmetric Catalytic Intramolecular Hydroamination of Aminoallenes by Tantalum Amidoalkoxide Complexes","Organometallics","2011","30","17","4616","","10.1021/om200446v","","","0.71073","MoKα","","0.0165","0.0156","","","0.0356","0.0358","","","","","","0.949","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064951","12.5547","0.0003","10.7005","0.0006","14.7609","0.0006","90","","115.168","0.003","90","","1794.75","0.14","291","2","291","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C32 H49 Cl F6 N2 O P Rh Ru -","- C32 H49 Cl F6 N2 O P Rh Ru -","- C64 H98 Cl2 F12 N4 O2 P2 Rh2 Ru2 -","2","0.5","","Hildebrandt, Björn; Frank, Walter; Ganter, Christian","A Cationic N-Heterocyclic Carbene with an Organometallic Backbone: Synthesis and Reactivity","Organometallics","2011","30","13","3483","","10.1021/om2004496","","","0.71073","MoKα","","0.0849","0.0735","","","0.1518","0.1549","","","","","","1.711","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064952","8.9157","0.0004","22.9239","0.0009","6.9415","0.0003","90","","105.875","0.005","90","","1364.61","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl F N Pd -","- C15 H15 Cl F N Pd -","- C60 H60 Cl4 F4 N4 Pd4 -","4","1","","Thomas, Helen R.; Deeth, Robert J.; Clarkson, Guy J.; Rourke, Jonathan P.","Palladium(II) Agostic Complex: Exchange of Aryl‒Pd and Alkyl‒Pd Bonds","Organometallics","2011","30","21","5641","","10.1021/om200451v","","","0.71073","MoKα","","0.0974","0.0911","","","0.2492","0.2545","","","","","","1.136","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064953","11.20067","0.00018","14.2812","0.0002","11.41199","0.00018","90","","92.6305","0.0015","90","","1823.53","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F N O2 Pd -","- C20 H22 F N O2 Pd -","- C80 H88 F4 N4 O8 Pd4 -","4","1","","Thomas, Helen R.; Deeth, Robert J.; Clarkson, Guy J.; Rourke, Jonathan P.","Palladium(II) Agostic Complex: Exchange of Aryl‒Pd and Alkyl‒Pd Bonds","Organometallics","2011","30","21","5641","","10.1021/om200451v","","","0.71073","MoKα","","0.0303","0.0243","","","0.0537","0.057","","","","","","1.014","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064954","19.2574","0.0004","9.8896","0.0001","18.5847","0.0004","90","","116.374","0.002","90","","3171.01","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl4 F N P Pd -","- C34 H31 Cl4 F N P Pd -","- C136 H124 Cl16 F4 N4 P4 Pd4 -","4","1","","Thomas, Helen R.; Deeth, Robert J.; Clarkson, Guy J.; Rourke, Jonathan P.","Palladium(II) Agostic Complex: Exchange of Aryl‒Pd and Alkyl‒Pd Bonds","Organometallics","2011","30","21","5641","","10.1021/om200451v","","","0.71073","MoKα","","0.0343","0.028","","","0.0598","0.0632","","","","","","1.026","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064955","15.349","0.003","16.441","0.003","19.214","0.003","66.355","0.003","81.402","0.003","89.563","0.003","4384.4","1.4","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonsk19","(dippe)Pt(COMe)(SMe)","","- C17 H38 O P2 Pt S -","- C17 H38 O P2 Pt S -","- C136 H304 O8 P16 Pt8 S8 -","8","4","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.112","0.0581","","","0.1315","0.1451","","","","","","1.046","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064956","9.1292","0.0005","13.8932","0.0008","9.5412","0.0006","90","","109.756","0.001","90","","1138.92","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","jonsk32","(dippe)Pt(COMe)(SEt)","","- C18 H40 O P2 Pt S -","- C18 H40 O P2 Pt S -","- C36 H80 O2 P4 Pt2 S2 -","2","1","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.0344","0.028","","","0.0553","0.0577","","","","","","1.006","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064957","8.733","0.003","17.202","0.006","15.861","0.005","90","","95.518","0.006","90","","2371.7","1.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonsk46","(dippe)Pt(COPr)SMe","","- C19 H42 O P2 Pt S -","- C19 H42 O P2 Pt S -","- C76 H168 O4 P8 Pt4 S4 -","4","1","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.0722","0.0378","","","0.0712","0.0821","","","","","","1.019","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064958","15.3317","0.0016","13.6601","0.0014","19.549","0.002","90","","90","","90","","4094.2","0.7","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","jonsk27","(dippe)Pt(Me)(SMe)","","- C16 H38 P2 Pt S -","- C16 H38 P2 Pt S -","- C128 H304 P16 Pt8 S8 -","8","2","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.1052","0.0697","","","0.1598","0.1858","","","","","","1.008","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064959","10.3969","0.0009","15.2962","0.0013","14.1669","0.0012","90","","109.672","0.002","90","","2121.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsk33","(dippe)Pt(Me)(SEt)","","- C17 H40 P2 Pt S -","- C17 H40 P2 Pt S -","- C68 H160 P8 Pt4 S4 -","4","1","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.0794","0.0395","","","0.0742","0.0851","","","","","","1.027","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064960","10.306","0.003","13.148","0.003","15.89","0.004","90","","90.427","0.005","90","","2153.1","1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonsk22","(dippe)Pt(SMe)2","","- C16 H38 P2 Pt S2 -","- C16 H38 P2 Pt S2 -","- C64 H152 P8 Pt4 S8 -","4","1","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.101","0.0554","","","0.084","0.0966","","","","","","1.03","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064961","15.1351","0.0008","10.1219","0.0005","16.42","0.0008","90","","104.982","0.001","90","","2430","0.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","jonsk28","(dippe)Pt(SEt)2","","- C18 H42 P2 Pt S2 -","- C18 H42 P2 Pt S2 -","- C72 H168 P8 Pt4 S8 -","4","0.5","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.0494","0.0328","","","0.0641","0.0702","","","","","","1.027","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064962","12.8854","0.0008","15.8932","0.001","10.9403","0.0007","90","","102.588","0.001","90","","2186.6","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","jonsk21","(dippe)Pt(COCH2CH2CH2S)","","- C18 H38 O P2 Pt S -","- C18 H38 O P2 Pt S -","- C72 H152 O4 P8 Pt4 S4 -","4","1","","Kundu, Sabuj; Brennessel, William W.; Jones, William D.","C‒S Bond Activation of Thioesters Using Platinum(0)","Organometallics","2011","30","19","5147","","10.1021/om200452z","","","0.71073","MoKα","","0.0422","0.032","","","0.0672","0.0715","","","","","","1.025","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064963","17.177","0.003","12.4963","0.0019","17.48","0.003","90","","114.097","0.0019","90","","3425.1","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(2-dimesitylborylphenyl)(2'-diphenylphosphanylphenyl)acetylene","(2-dimesitylborylphenyl)(2-diphenylphosphanylphenyl)acetylene","","- C44 H40 B P -","- C44 H40 B P -","- C176 H160 B4 P4 -","4","1","","Fukazawa, Aiko; Yamaguchi, Eriko; Ito, Emi; Yamada, Hiroshi; Wang, Jian; Irle, Stephan; Yamaguchi, Shigehiro","Zwitterionic Ladder Stilbenes with Phosphonium and Borate Bridges: Intramolecular Cascade Cyclization and Structure‒Photophysical Properties Relationship","Organometallics","2011","30","14","3870","","10.1021/om200453w","","","0.7107","MoKα","","0.0534","0.049","","","0.1177","0.1207","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064964","10.9701","0.0011","11.0589","0.0013","15.1717","0.0015","74.472","0.009","73.584","0.009","70.246","0.01","1631.2","0.3","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C65 H80 Cl4 N4 O5 Ru2 -","- C65 H80 Cl4 N4 O5 Ru2 -","- C65 H80 Cl4 N4 O5 Ru2 -","1","0.5","","Bieniek, Michał; Samojłowicz, Cezary; Sashuk, Volodymyr; Bujok, Robert; Śledź, Paweł; Lugan, Noël; Lavigne, Guy; Arlt, Dieter; Grela, Karol","Rational Design and Evaluation of Upgraded Grubbs/Hoveyda Olefin Metathesis Catalysts: Polyfunctional Benzylidene Ethers on the Test Bench","Organometallics","2011","30","15","4144","","10.1021/om200463u","","x-ray","0.71073","MoKα","","0.0543","0.0407","","","0.0859","0.0903","","","","","","1.026","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064965","11.913","0.009","11.97","0.007","15.284","0.01","106.6","0.04","93.07","0.05","117.141","0.011","1815","2","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C33 H40 Cl6 N2 O2 Ru -","- C33 H40 Cl6 N2 O2 Ru -","- C66 H80 Cl12 N4 O4 Ru2 -","2","1","","Bieniek, Michał; Samojłowicz, Cezary; Sashuk, Volodymyr; Bujok, Robert; Śledź, Paweł; Lugan, Noël; Lavigne, Guy; Arlt, Dieter; Grela, Karol","Rational Design and Evaluation of Upgraded Grubbs/Hoveyda Olefin Metathesis Catalysts: Polyfunctional Benzylidene Ethers on the Test Bench","Organometallics","2011","30","15","4144","","10.1021/om200463u","","x-ray","0.71073","MoKα","","0.0408","0.0363","","","0.087","0.092","","","","","","1.073","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064966","34.4881","0.0011","15.1596","0.0005","18.2349","0.0006","90","","116.131","0.001","90","","8559.2","0.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H39 Cl4 N2 O5 Ru -","- C34 H39 Cl4 N2 O5 Ru -","- C272 H312 Cl32 N16 O40 Ru8 -","8","1","","Bieniek, Michał; Samojłowicz, Cezary; Sashuk, Volodymyr; Bujok, Robert; Śledź, Paweł; Lugan, Noël; Lavigne, Guy; Arlt, Dieter; Grela, Karol","Rational Design and Evaluation of Upgraded Grubbs/Hoveyda Olefin Metathesis Catalysts: Polyfunctional Benzylidene Ethers on the Test Bench","Organometallics","2011","30","15","4144","","10.1021/om200463u","","x-ray","0.71073","MoKα","","0.0521","0.0377","","","0.1109","0.1179","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064967","11.9763","0.0004","16.6003","0.0006","18.6197","0.0006","90","","102.306","0.002","90","","3616.7","0.2","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cl2 N3 O Ru -","- C31 H35 Cl2 N3 O Ru -","- C124 H140 Cl8 N12 O4 Ru4 -","4","1","","Bieniek, Michał; Samojłowicz, Cezary; Sashuk, Volodymyr; Bujok, Robert; Śledź, Paweł; Lugan, Noël; Lavigne, Guy; Arlt, Dieter; Grela, Karol","Rational Design and Evaluation of Upgraded Grubbs/Hoveyda Olefin Metathesis Catalysts: Polyfunctional Benzylidene Ethers on the Test Bench","Organometallics","2011","30","15","4144","","10.1021/om200463u","","x-ray","0.71073","MoKα","","0.0559","0.0359","","","0.0893","0.0952","","","","","","1.027","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064968","12.9357","0.0011","11.9801","0.0012","13.075","0.0011","90","","100.862","0.002","90","","1989.9","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H48 Cl3 I N O4 P Pd -","- C37 H48 Cl3 I N O4 P Pd -","- C74 H96 Cl6 I2 N2 O8 P2 Pd2 -","2","1","","Vicente, José; Saura-Llamas, Isabel; Oliva-Madrid, María-José; García-López, José-Antonio; Bautista, Delia","A New Method for High-Yield Cyclopalladation of Primary and Secondary Amines. Atom-Efficient Open-to-Air Inexpensive Synthesis of Buchwald-Type Precatalysts","Organometallics","2011","30","17","4624","","10.1021/om200464s","","","0.71073","MoKα","","0.0449","0.0422","","","0.09","0.0911","","","","","","1.097","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064969","15.9002","0.0014","12.8403","0.0011","27.037","0.003","90","","107.076","0.002","90","","5276.6","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 I N P Pd -","- C29 H29 I N P Pd -","- C232 H232 I8 N8 P8 Pd8 -","8","1","","Vicente, José; Saura-Llamas, Isabel; Oliva-Madrid, María-José; García-López, José-Antonio; Bautista, Delia","A New Method for High-Yield Cyclopalladation of Primary and Secondary Amines. Atom-Efficient Open-to-Air Inexpensive Synthesis of Buchwald-Type Precatalysts","Organometallics","2011","30","17","4624","","10.1021/om200464s","","","0.71073","MoKα","","0.0304","0.0273","","","0.0566","0.0577","","","","","","1.116","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064970","9.0956","0.0003","13.9065","0.0004","17.8684","0.0005","90","","92.424","0.001","90","","2258.12","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 Cl3 Cr N2 S2 -","- C17 H28 Cl3 Cr N2 S2 -","- C68 H112 Cl12 Cr4 N8 S8 -","4","1","","Albahily, Khalid; Shaikh, Yacoob; Ahmed, Zeeshan; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Robbert","Isolation of a Self-Activating Ethylene Trimerization Catalyst of a Cr-SNS System","Organometallics","2011","30","15","4159","","10.1021/om2004699","","","0.71073","MoKα","","0.054","0.0346","","","0.0786","0.0872","","","","","","1.011","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064971","16.353","0.003","13.518","0.002","14.55","0.002","90","","101.877","0.004","90","","3147.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H49 Cl3 Cr N S2 -","- C27 H49 Cl3 Cr N S2 -","- C108 H196 Cl12 Cr4 N4 S8 -","4","1","","Albahily, Khalid; Shaikh, Yacoob; Ahmed, Zeeshan; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Robbert","Isolation of a Self-Activating Ethylene Trimerization Catalyst of a Cr-SNS System","Organometallics","2011","30","15","4159","","10.1021/om2004699","","","0.71073","MoKα","","0.1185","0.0698","","","0.1551","0.1855","","","","","","1.072","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064972","11.9048","0.0014","12.2321","0.0014","17.021","0.002","90","","107.792","0.002","90","","2360.1","0.5","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Cl2 Cr N O S2 -","- C19 H33 Cl2 Cr N O S2 -","- C76 H132 Cl8 Cr4 N4 O4 S8 -","4","1","","Albahily, Khalid; Shaikh, Yacoob; Ahmed, Zeeshan; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Robbert","Isolation of a Self-Activating Ethylene Trimerization Catalyst of a Cr-SNS System","Organometallics","2011","30","15","4159","","10.1021/om2004699","","","0.71073","MoKα","","0.1089","0.0551","","","0.1181","0.1378","","","","","","0.968","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064973","9.2413","0.0011","18.245","0.002","21.31","0.003","112.897","0.002","100.925","0.002","90.513","0.002","3236.3","0.7","211","2","211","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H46 Al2 Cl2 Cr N S2 -","- C22 H46 Al2 Cl2 Cr N S2 -","- C88 H184 Al8 Cl8 Cr4 N4 S8 -","4","2","","Albahily, Khalid; Shaikh, Yacoob; Ahmed, Zeeshan; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Robbert","Isolation of a Self-Activating Ethylene Trimerization Catalyst of a Cr-SNS System","Organometallics","2011","30","15","4159","","10.1021/om2004699","","","0.71073","MoKα","","0.1033","0.07","","","0.1847","0.2055","","","","","","1.022","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064974","8.1576","0.0005","18.6367","0.0009","10.1442","0.0007","90","","91.002","0.006","90","","1541.99","0.16","296","","296","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H23 Cl2 N7 O2 Ru S -","- C31 H23 Cl2 N7 O2 Ru S -","- C62 H46 Cl4 N14 O4 Ru2 S2 -","2","1","","Günnaz, Salih; Özdemir, Namık; Dayan, Serkan; Dayan, Osman; Çetinkaya, Bekir","Synthesis of Ruthenium(II) Complexes Containing Tridentate Triamine (′N ͡N ͡N′) and Bidentate Diamine Ligands (N ͡N′): as Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2011","30","15","4165","","10.1021/om200470p","","","0.71073","MoKα","","0.1605","0.0876","","","0.1568","0.1783","","","","","","1.121","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064975","8.3674","0.0002","16.1181","0.0003","10.4014","0.0003","90","","106.616","0.002","90","","1344.22","0.06","296","","296","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H21 Cl2 N7 O3 Ru S -","- C23 H21 Cl2 N7 O3 Ru S -","- C46 H42 Cl4 N14 O6 Ru2 S2 -","2","1","","Günnaz, Salih; Özdemir, Namık; Dayan, Serkan; Dayan, Osman; Çetinkaya, Bekir","Synthesis of Ruthenium(II) Complexes Containing Tridentate Triamine (′N ͡N ͡N′) and Bidentate Diamine Ligands (N ͡N′): as Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2011","30","15","4165","","10.1021/om200470p","","","0.71073","MoKα","","0.0339","0.0291","","","0.062","0.0632","","","","","","1.012","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064976","18.1126","0.0014","10.0116","0.0007","41.749","0.003","90","","93.3068","0.0017","90","","7558","1","223.1","","223","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H46 Cl2 N2 P2 Ru -","- C42 H46 Cl2 N2 P2 Ru -","- C336 H368 Cl16 N16 P16 Ru8 -","8","1","","Schley, Nathan D.; Dobereiner, Graham E.; Crabtree, Robert H.","Oxidative Synthesis of Amides and Pyrroles via Dehydrogenative Alcohol Oxidation by Ruthenium Diphosphine Diamine Complexes","Organometallics","2011","30","15","4174","","10.1021/om2004755","","","0.71075","MoKα","","","0.0691","","","","0.1314","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064977","23.0954","0.0016","14.9513","0.0003","11.0565","0.0002","90","","102.342","0.007","90","","3729.6","0.3","93.1","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cl4 Fe N2 P2 Ru -","- C41 H38 Cl4 Fe N2 P2 Ru -","- C164 H152 Cl16 Fe4 N8 P8 Ru4 -","4","1","","Schley, Nathan D.; Dobereiner, Graham E.; Crabtree, Robert H.","Oxidative Synthesis of Amides and Pyrroles via Dehydrogenative Alcohol Oxidation by Ruthenium Diphosphine Diamine Complexes","Organometallics","2011","30","15","4174","","10.1021/om2004755","","","1.54187","CuKα","","","0.0725","","","","0.2031","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064978","11.4118","0.0015","12.0005","0.0016","18.238","0.002","91.407","0.003","99.427","0.003","117.37","0.003","2173.8","0.5","223.1","","223","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 Cl2 Fe N2 P2 Ru -","- C48 H46 Cl2 Fe N2 P2 Ru -","- C96 H92 Cl4 Fe2 N4 P4 Ru2 -","2","1","","Schley, Nathan D.; Dobereiner, Graham E.; Crabtree, Robert H.","Oxidative Synthesis of Amides and Pyrroles via Dehydrogenative Alcohol Oxidation by Ruthenium Diphosphine Diamine Complexes","Organometallics","2011","30","15","4174","","10.1021/om2004755","","","0.71075","MoKα","","","0.0636","","","","0.0998","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064979","14.75","0.0014","18.661","0.002","24.165","0.003","78.18","0.011","72.796","0.009","68.781","0.009","5887.2","1.2","113","2","113","2","","","","","","","","9","P -1","-P 1","2","","","","- C52.5 H34.5 Cl1.5 Fe4 Ni O12 P2 S4 Se2 -","- C52.5 H34.5 Cl1.5 Fe4 Ni O12 P2 S4 Se2 -","- C210 H138 Cl6 Fe16 Ni4 O48 P8 S16 Se8 -","4","2","","Li, Ling; Song, Li-Cheng; Wang, Miao-Miao; Li, Qian-Li; Song, Hai-Bin","Synthetic and Structural Characterization of Linear and Macrocyclic Ni/Fe/E (E = S, Se) Cluster Complexes","Organometallics","2011","30","18","4899","","10.1021/om2004767","","","0.71075","MoKα","","0.0943","0.0752","","","0.1484","0.1589","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064980","14.793","0.003","17.757","0.004","23.802","0.005","90","","103.7","0.03","90","","6074","2","113","2","113","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H33.5 Cl Fe4 N0 Ni O12.25 P2 S4 Se2 -","- C52.5 H33 Cl Fe4 Ni O12.25 P2 S4 Se2 -","- C210 H132 Cl4 Fe16 Ni4 O49 P8 S16 Se8 -","4","1","","Li, Ling; Song, Li-Cheng; Wang, Miao-Miao; Li, Qian-Li; Song, Hai-Bin","Synthetic and Structural Characterization of Linear and Macrocyclic Ni/Fe/E (E = S, Se) Cluster Complexes","Organometallics","2011","30","18","4899","","10.1021/om2004767","","","0.71073","MoKα","","0.068","0.0542","","","0.1436","0.1524","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064981","14.858","0.003","15.381","0.003","26.679","0.005","90","","90","","90","","6097","2","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H34 Fe4 Ni O12 P2 S4 Se2 -","- C56 H34 Fe4 Ni O12 P2 S4 Se2 -","- C224 H136 Fe16 Ni4 O48 P8 S16 Se8 -","4","1","","Li, Ling; Song, Li-Cheng; Wang, Miao-Miao; Li, Qian-Li; Song, Hai-Bin","Synthetic and Structural Characterization of Linear and Macrocyclic Ni/Fe/E (E = S, Se) Cluster Complexes","Organometallics","2011","30","18","4899","","10.1021/om2004767","","","0.71073","MoKα","","0.0476","0.0403","","","0.0823","0.0861","","","","","","1.053","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064982","17.576","0.002","20.999","0.002","21.506","0.003","65.113","0.003","89.188","0.007","84.136","0.007","7159","1.5","113","2","113","2","","","","","","","","9","P -1","-P 1","2","","","","- C60.75 H39.5 Cl1.5 Fe5 Ni O12 P2 S4 Se2 -","- C60.75 H39.5 Cl1.5 Fe5 Ni O12 P2 S4 Se2 -","- C243 H158 Cl6 Fe20 Ni4 O48 P8 S16 Se8 -","4","2","","Li, Ling; Song, Li-Cheng; Wang, Miao-Miao; Li, Qian-Li; Song, Hai-Bin","Synthetic and Structural Characterization of Linear and Macrocyclic Ni/Fe/E (E = S, Se) Cluster Complexes","Organometallics","2011","30","18","4899","","10.1021/om2004767","","","0.71075","MoKα","","0.0491","0.0407","","","0.1015","0.1056","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064983","28.597","0.004","18.747","0.003","27.054","0.004","90","","115.534","0.002","90","","13087","3","113","2","113","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C98.5 H84.5 Cl10.5 Fe8 Ni2 O24 P4 S8 Se4 -","- C98.5 H84.5 Cl10.5 Fe8 Ni2 O24 P4 S8 Se4 -","- C394 H338 Cl42 Fe32 Ni8 O96 P16 S32 Se16 -","4","1","","Li, Ling; Song, Li-Cheng; Wang, Miao-Miao; Li, Qian-Li; Song, Hai-Bin","Synthetic and Structural Characterization of Linear and Macrocyclic Ni/Fe/E (E = S, Se) Cluster Complexes","Organometallics","2011","30","18","4899","","10.1021/om2004767","","","0.71075","MoKα","","0.0628","0.0528","","","0.1157","0.1208","","","","","","1.107","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064984","18.065","0.004","23.361","0.005","27.578","0.006","90","","90.06","0.03","90","","11638","4","113","2","113","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C88.75 H61.5 Cl5.5 Fe8 Ni2 O24 P4 S8 Se4 -","- C88.75 H50 Cl5.5 Fe8 Ni2 O24 P4 S8 Se4 -","- C355 H200 Cl22 Fe32 Ni8 O96 P16 S32 Se16 -","4","1","","Li, Ling; Song, Li-Cheng; Wang, Miao-Miao; Li, Qian-Li; Song, Hai-Bin","Synthetic and Structural Characterization of Linear and Macrocyclic Ni/Fe/E (E = S, Se) Cluster Complexes","Organometallics","2011","30","18","4899","","10.1021/om2004767","","","0.71073","MoKα","","0.1091","0.0916","","","0.2109","0.2207","","","","","","1.15","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064985","12.864","0.0014","13.713","0.0015","17.308","0.003","73.476","0.01","75.076","0.01","87.861","0.014","2826.2","0.7","113","2","113","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H38 Cl2 Fe4 Ni O12 P2 S4 Se3 -","- C46.999 H37.998 Cl1.998 Fe4 Ni O12 P2 S4 Se3 -","- C93.998 H75.996 Cl3.996 Fe8 Ni2 O24 P4 S8 Se6 -","2","1","","Li, Ling; Song, Li-Cheng; Wang, Miao-Miao; Li, Qian-Li; Song, Hai-Bin","Synthetic and Structural Characterization of Linear and Macrocyclic Ni/Fe/E (E = S, Se) Cluster Complexes","Organometallics","2011","30","18","4899","","10.1021/om2004767","","","0.71075","MoKα","","0.09","0.0696","","","0.1153","0.1233","","","","","","1.142","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064986","8.8878","0.0016","9.681","0.002","18.822","0.004","91.1","0.007","97.918","0.008","96.815","0.008","1591.7","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","octakis(3-thioacetatepropyl)octasilsesquioxane","octakis(3-propyl ethanethioate)octasilsesquioxane ?","","- C40 H72 O20 S8 Si8 -","- C40 H72 O20 S8 Si8 -","- C40 H72 O20 S8 Si8 -","1","0.5","","Ervithayasuporn, Vuthichai; Tomeechai, Thapakorn; Takeda, Nobuhiro; Unno, Masafumi; Chaiyanurakkul, Arada; Hamkool, Rangsinee; Osotchan, Tanakorn","Synthesis and Characterization of Octakis(3-propyl ethanethioate)octasilsesquioxane","Organometallics","2011","30","17","4475","","10.1021/om200477a","","","0.7107","MoKα","","0.0603","0.0502","","","0.1195","0.1262","","","","","","1.114","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064987","5.4082","0.0009","9.1179","0.0015","16.912","0.003","98.067","0.003","96.34","0.003","102.416","0.003","797.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N4 O2 -","- C36 H50 N4 O2 -","- C36 H50 N4 O2 -","1","0.5","","Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine","Tetrapalladium(II) Bisazobenzene and Azoazoxybenzene Complexes: Syntheses, Electronic Structures, and Optical Properties","Organometallics","2011","30","18","4910","","10.1021/om200479g","","","0.71073","MoKα","","0.0688","0.0457","","","0.1045","0.1291","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064988","5.6665","0.0009","9.3701","0.0014","27.18","0.004","82.75","0.003","87.528","0.003","75.106","0.003","1383.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H41 N5 O2 -","- C31 H41 N5 O2 -","- C62 H82 N10 O4 -","2","1","","Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine","Tetrapalladium(II) Bisazobenzene and Azoazoxybenzene Complexes: Syntheses, Electronic Structures, and Optical Properties","Organometallics","2011","30","18","4910","","10.1021/om200479g","","","0.71073","MoKα","","0.1197","0.0436","","","0.0639","0.0796","","","","","","0.777","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064989","10.73","0.003","11.944","0.003","16.333","0.004","97.487","0.004","94.532","0.004","115.473","0.004","1852.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H98 Cl6 N8 O4 Pd4 -","- C73 H98 Cl6 N8 O4 Pd4 -","- C73 H98 Cl6 N8 O4 Pd4 -","1","0.5","","Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine","Tetrapalladium(II) Bisazobenzene and Azoazoxybenzene Complexes: Syntheses, Electronic Structures, and Optical Properties","Organometallics","2011","30","18","4910","","10.1021/om200479g","","","0.71073","MoKα","","0.0679","0.0485","","","0.0991","0.106","","","","","","1.158","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064990","8.7516","0.0014","12.202","0.002","20.204","0.003","90.471","0.003","97.522","0.003","101.425","0.003","2095.3","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H47 Cl4 N2 O3 P Pd S -","- C42 H47 Cl4 N2 O3 P Pd S -","- C84 H94 Cl8 N4 O6 P2 Pd2 S2 -","2","1","","Zhou, Xiaoyuan; Jordan, Richard F.","Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand","Organometallics","2011","30","17","4632","","10.1021/om200482a","","","0.71073","MoKα","","0.0801","0.0551","","","0.1103","0.1218","","","","","","1.021","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064991","11.455","0.006","11.537","0.006","14.792","0.008","78.733","0.009","76.496","0.009","62.82","0.008","1682","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H37 N3 O3 Pd S -","- C29 H37 N3 O3 Pd S -","- C58 H74 N6 O6 Pd2 S2 -","2","1","","Zhou, Xiaoyuan; Jordan, Richard F.","Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand","Organometallics","2011","30","17","4632","","10.1021/om200482a","","","0.71073","MoKα","","0.0618","0.0432","","","0.0803","0.0835","","","","","","0.893","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064992","13.07","0.005","14.75","0.006","16.715","0.006","108.524","0.007","96.16","0.008","90.142","0.008","3035","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H37 N3 O3 Pd S -","- C29 H37 N3 O3 Pd S -","- C116 H148 N12 O12 Pd4 S4 -","4","2","","Zhou, Xiaoyuan; Jordan, Richard F.","Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand","Organometallics","2011","30","17","4632","","10.1021/om200482a","","","0.71073","MoKα","","0.109","0.0605","","","0.1056","0.1184","","","","","","0.87","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064993","11.965","0.003","13.617","0.003","16.465","0.004","112.533","0.004","92.003","0.004","101.246","0.004","2412.4","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H44 B F15 N3 O3 Pd S -","- C50 H44 B F15 N3 O3 Pd S -","- C100 H88 B2 F30 N6 O6 Pd2 S2 -","2","1","","Zhou, Xiaoyuan; Jordan, Richard F.","Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand","Organometallics","2011","30","17","4632","","10.1021/om200482a","","","0.71073","MoKα","","0.0608","0.0434","","","0.0927","0.098","","","","","","0.968","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064994","11.1855","0.0018","11.4657","0.0019","16.171","0.003","108.711","0.003","91.482","0.003","115.68","0.003","1737","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H40 Cl3 N3 O4 Pd S -","- C31.5 H40 Cl2.994 N3 O4 Pd S -","- C63 H80 Cl5.988 N6 O8 Pd2 S2 -","2","1","","Zhou, Xiaoyuan; Jordan, Richard F.","Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand","Organometallics","2011","30","17","4632","","10.1021/om200482a","","","0.71073","MoKα","","0.0764","0.043","","","0.0734","0.079","","","","","","0.799","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064995","10.437","0.003","13.551","0.004","14.524","0.005","107.881","0.005","90.359","0.006","106.644","0.005","1863","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H48 Cl2 N4 O3 Pd S -","- C33 H48 Cl2 N4 O3 Pd S -","- C66 H96 Cl4 N8 O6 Pd2 S2 -","2","1","","Zhou, Xiaoyuan; Jordan, Richard F.","Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand","Organometallics","2011","30","17","4632","","10.1021/om200482a","","","0.71073","MoKα","","0.0444","0.0365","","","0.0802","0.0821","","","","","","0.963","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064996","11.319","0.004","11.668","0.004","16.185","0.005","75.514","0.005","85.177","0.005","63.834","0.005","1856.7","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H48 Cl2 N4 O3 Pd S -","- C33 H48 Cl2 N4 O3 Pd S -","- C66 H96 Cl4 N8 O6 Pd2 S2 -","2","1","","Zhou, Xiaoyuan; Jordan, Richard F.","Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand","Organometallics","2011","30","17","4632","","10.1021/om200482a","","","0.71073","MoKα","","0.0801","0.0621","","","0.1501","0.1586","","","","","","1.019","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064997","11.494","0.003","12.106","0.003","20.721","0.005","91.372","0.004","105.907","0.004","93.456","0.004","2765.3","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H58 Cl3 N5 O3 Pd S -","- C38.847 H57.94 Cl3.094 N5 O3 Pd S -","- C77.694 H115.88 Cl6.188 N10 O6 Pd2 S2 -","2","1","","Zhou, Xiaoyuan; Jordan, Richard F.","Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand","Organometallics","2011","30","17","4632","","10.1021/om200482a","","","0.71073","MoKα","","0.1014","0.0546","","","0.1148","0.1245","","","","","","0.828","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064998","19.477","0.002","24.103","0.002","31.649","0.004","90","","90","","90","","14858","3","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C88 H83 Fe Mo P4 -","- C88 H83 Fe Mo P4 -","- C704 H664 Fe8 Mo8 P32 -","8","1","","Fitzgerald, Emma C.; Ladjarafi, Abdelkader; Brown, Neil J.; Collison, David; Costuas, Karine; Edge, Ruth; Halet, Jean-François; Justaud, Frédéric; Low, Paul J.; Meghezzi, Hacène; Roisnel, Thierry; Whiteley, Mark W.; Lapinte, Claude","Spectroscopic Evidence for Redox Isomerism in the 1,4-Diethynylbenzene-Bridged Heterobimetallic Cation [{Fe(dppe)Cp*}(μ-C≡CC6H4C≡C){Mo(dppe)(η-C7H7)}]PF6","Organometallics","2011","30","15","4180","","10.1021/om200488b","","x-ray","0.71073","MoKα","","0.1337","0.0896","","","0.2164","0.245","","","","","","1.093","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4064999","8.722","0.007","22.61","0.017","18.121","0.014","90","","101.992","0.017","90","","3496","5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 N2 O4 P Pd -","- C39 H37 N2 O4 P Pd -","- C156 H148 N8 O16 P4 Pd4 -","4","1","","Kumar, P. Vijaya; Lin, Wu-Shien; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Direct C5-Arylation Reaction between Imidazoles and Aryl Chlorides Catalyzed by Palladium Complexes with Phosphines and N-Heterocyclic Carbenes","Organometallics","2011","30","19","5160","","10.1021/om200490k","","x-ray","0.71073","MoKα","","0.1192","0.0498","","","0.0873","0.1175","","","","","","0.974","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4065000","13.5004","0.0009","17.7544","0.0013","19.0156","0.0013","90","","104.823","0.004","90","","4406.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H122 N4 O11 P2 Pd2 -","- C82 H122 N4 O11 P2 Pd2 -","- C164 H244 N8 O22 P4 Pd4 -","2","0.5","","Kumar, P. Vijaya; Lin, Wu-Shien; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Direct C5-Arylation Reaction between Imidazoles and Aryl Chlorides Catalyzed by Palladium Complexes with Phosphines and N-Heterocyclic Carbenes","Organometallics","2011","30","19","5160","","10.1021/om200490k","","x-ray","0.71073","MoKα","","0.1306","0.0709","","","0.1968","0.2354","","","","","","1.045","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065001","8.7499","0.0015","7.9024","0.0013","16.618","0.002","90","","117.346","0.011","90","","1020.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Kumar, P. Vijaya; Lin, Wu-Shien; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Direct C5-Arylation Reaction between Imidazoles and Aryl Chlorides Catalyzed by Palladium Complexes with Phosphines and N-Heterocyclic Carbenes","Organometallics","2011","30","19","5160","","10.1021/om200490k","","x-ray","0.71073","MoKα","","0.0755","0.0515","","","0.151","0.1809","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065002","27.0207","0.0017","6.7826","0.0005","14.2251","0.0009","90","","120.125","0.004","90","","2254.9","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N4 O3 -","- C26 H30 N4 O3 -","- C104 H120 N16 O12 -","4","0.5","","Kumar, P. Vijaya; Lin, Wu-Shien; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Direct C5-Arylation Reaction between Imidazoles and Aryl Chlorides Catalyzed by Palladium Complexes with Phosphines and N-Heterocyclic Carbenes","Organometallics","2011","30","19","5160","","10.1021/om200490k","","x-ray","0.71073","MoKα","","0.0614","0.0401","","","0.0907","0.102","","","","","","0.991","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065003","9.2394","0.0018","18.231","0.003","18.435","0.004","90","","90","","90","","3105.3","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 F6 Fe4 N P -","- C32 H40 F6 Fe4 N P -","- C128 H160 F24 Fe16 N4 P4 -","4","1","","Okazaki, Masaaki; Tsuchimoto, Takahiro; Nakazawa, Yuki; Takano, Masato; Ozawa, Fumiyuki","Reactions of Bromoacetylene with Primary Amine on a Butterfly-Type Tetrairon Core to Give Isonitrile and Methyne through Oxidation and Deprotonation","Organometallics","2011","30","13","3487","","10.1021/om200493b","","x-ray","0.7107","MoKα","","0.0435","0.0388","","","0.0961","0.1","","","","","","1.077","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065004","6.5791","0.0004","8.2078","0.0005","12.1346","0.0008","90.36","0.001","95.58","0.001","92.212","0.001","651.64","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 Mo O4 -","- C13 H12 Mo O4 -","- C26 H24 Mo2 O8 -","2","1","","Zhang, Wei-Qiang; Atkin, Anthony J.; Fairlamb, Ian J. S.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis and Reactivity of Molybdenum Complexes Containing Functionalized Alkynyl Ligands: A Photochemically Activated CO-Releasing Molecule (PhotoCO-RM)","Organometallics","2011","30","17","4643","","10.1021/om200495h","","","0.71073","MoKα","","0.0194","0.0187","","","0.0464","0.0469","","","","","","1.054","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065005","9.4514","0.0016","12.599","0.002","13.711","0.002","90","","90.867","0.003","90","","1632.5","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Mo O4 -","- C18 H14 Mo O4 -","- C72 H56 Mo4 O16 -","4","1","","Zhang, Wei-Qiang; Atkin, Anthony J.; Fairlamb, Ian J. S.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis and Reactivity of Molybdenum Complexes Containing Functionalized Alkynyl Ligands: A Photochemically Activated CO-Releasing Molecule (PhotoCO-RM)","Organometallics","2011","30","17","4643","","10.1021/om200495h","","","0.71073","MoKα","","0.0215","0.0195","","","0.0511","0.0525","","","","","","1.044","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065006","30.691","0.003","9.9703","0.001","15.1389","0.0015","90","","111.134","0.002","90","","4320.9","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H29 Cl Mo N2 O3 -","- C19.5 H29 Cl Mo N2 O3 -","- C156 H232 Cl8 Mo8 N16 O24 -","8","1","","Zhang, Wei-Qiang; Atkin, Anthony J.; Fairlamb, Ian J. S.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis and Reactivity of Molybdenum Complexes Containing Functionalized Alkynyl Ligands: A Photochemically Activated CO-Releasing Molecule (PhotoCO-RM)","Organometallics","2011","30","17","4643","","10.1021/om200495h","","","0.71073","MoKα","","0.0266","0.0243","","","0.0598","0.0612","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065007","8.2474","0.0011","10.4284","0.0014","10.9979","0.0015","75.001","0.002","74.407","0.002","83.552","0.002","879.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Mo N2 O3 -","- C19 H24 Mo N2 O3 -","- C38 H48 Mo2 N4 O6 -","2","1","","Zhang, Wei-Qiang; Atkin, Anthony J.; Fairlamb, Ian J. S.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis and Reactivity of Molybdenum Complexes Containing Functionalized Alkynyl Ligands: A Photochemically Activated CO-Releasing Molecule (PhotoCO-RM)","Organometallics","2011","30","17","4643","","10.1021/om200495h","","","0.71073","MoKα","","0.0197","0.0189","","","0.0473","0.0478","","","","","","1.065","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065008","22.297","0.011","7.938","0.004","23.925","0.012","90","","108.277","0.011","90","","4021","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 Mo N2 O3 -","- C21 H28 Mo N2 O3 -","- C168 H224 Mo8 N16 O24 -","8","1","","Zhang, Wei-Qiang; Atkin, Anthony J.; Fairlamb, Ian J. S.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis and Reactivity of Molybdenum Complexes Containing Functionalized Alkynyl Ligands: A Photochemically Activated CO-Releasing Molecule (PhotoCO-RM)","Organometallics","2011","30","17","4643","","10.1021/om200495h","","","0.71073","MoKα","","0.06","0.0431","","","0.0897","0.0983","","","","","","1.031","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065009","17.023","0.003","8.5476","0.0013","25.323","0.004","90","","90","","90","","3684.6","1","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H23 Mo N O5 -","- C19 H23 Mo N O5 -","- C152 H184 Mo8 N8 O40 -","8","2","","Zhang, Wei-Qiang; Atkin, Anthony J.; Fairlamb, Ian J. S.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis and Reactivity of Molybdenum Complexes Containing Functionalized Alkynyl Ligands: A Photochemically Activated CO-Releasing Molecule (PhotoCO-RM)","Organometallics","2011","30","17","4643","","10.1021/om200495h","","","0.71073","MoKα","","0.0375","0.0291","","","0.0628","0.0663","","","","","","1.009","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065010","9.0227","0.0002","16.336","0.0004","22.9463","0.0005","90","","101.691","0.001","90","","3312","0.13","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H40 B Cl F Sb -","- C37.5 H40 B Cl F Sb -","- C150 H160 B4 Cl4 F4 Sb4 -","4","1","","Wade, Casey R.; Gabbaï, François P.","Fluoride Anion Chelation by a Bidentate Stibonium‒Borane Lewis Acid","Organometallics","2011","30","17","4479","","10.1021/om200499y","","","0.71073","MoKα","","0.0614","0.0456","","","0.1268","0.1377","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065011","16.51","0.006","24.278","0.009","13.791","0.005","90","","90","","90","","5528","4","213","2","213","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C18 H39 Cl3 Cr N S2 Si2 -","- C18 H39 Cl3 Cr N S2 Si2 -","- C144 H312 Cl24 Cr8 N8 S16 Si16 -","8","0.5","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.0683","0.0532","","","0.1191","0.1252","","","","","","1.044","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065012","12.426","0.003","18.116","0.005","13.335","0.003","90","","104.054","0.004","90","","2912","1.3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H42 Cl2 Cr N S2 Si2 -","- C21.5 H42 Cl2 Cr N S2 Si2 -","- C86 H168 Cl8 Cr4 N4 S8 Si8 -","4","1","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.0457","0.0378","","","0.097","0.1028","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065013","12.161","0.003","12.476","0.003","15.493","0.004","74.217","0.003","77.582","0.003","62.952","0.003","2003.1","0.9","204","2","204","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H59 Al2 Cl4 Cr N S2 Si2 -","- C26 H59 Al2 Cl4 Cr N S2 Si2 -","- C52 H118 Al4 Cl8 Cr2 N2 S4 Si4 -","2","1","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.0472","0.038","","","0.0978","0.1041","","","","","","1.057","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065014","11.638","0.005","11.837","0.005","12.589","0.006","66.699","0.005","80.602","0.005","85.647","0.005","1571.3","1.2","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H46 Cl Cr N S2 Si2 -","- C25 H46 Cl Cr N S2 Si2 -","- C50 H92 Cl2 Cr2 N2 S4 Si4 -","2","1","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.0474","0.0387","","","0.1058","0.1116","","","","","","1.026","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065015","9.4189","0.0008","10.2886","0.0009","12.5226","0.0011","96.885","0.001","103.737","0.001","108.191","0.001","1094.88","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H34 Cl Cr N S2 Si2 -","- C14 H34 Cl Cr N S2 Si2 -","- C28 H68 Cl2 Cr2 N2 S4 Si4 -","2","1","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.0524","0.0375","","","0.0986","0.1069","","","","","","1.042","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065016","11.0381","0.0013","11.9963","0.0014","31.581","0.004","90","","93.935","0.002","90","","4172","0.9","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H46 Al2 Cl8 Cr N S2 Si2 -","- C25 H46 Al2 Cl8 Cr N S2 Si2 -","- C100 H184 Al8 Cl32 Cr4 N4 S8 Si8 -","4","1","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.0947","0.0635","","","0.1541","0.171","","","","","","1.062","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065017","10.6989","0.0005","12.7272","0.0006","17.6487","0.0007","70.641","0.002","75.413","0.002","87.628","0.003","2191.88","0.17","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C21.5 H31 Al2 Cl8 Cr N S2 Si2 -","- C21.5 H31 Al2 Cl8 Cr N S2 Si2 -","- C43 H62 Al4 Cl16 Cr2 N2 S4 Si4 -","2","1","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.0879","0.0714","","","0.201","0.2196","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065018","9.383","0.002","19.572","0.004","20.136","0.004","102.87","0.004","100.293","0.004","102.156","0.004","3424","1.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H53 Al2 Cl2 Cr N S2 Si2 -","- C23 H53 Al2 Cl2 Cr N S2 Si2 -","- C92 H212 Al8 Cl8 Cr4 N4 S8 Si8 -","4","2","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.1106","0.06","","","0.1223","0.1405","","","","","","1.022","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065019","12.877","0.004","15.896","0.004","19.071","0.005","90","","92.071","0.005","90","","3901.1","1.9","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H106 Al4 Cl8 Cr2 N2 S4 Si4 -","- C46 H106 Al4 Cl8 Cr2 N2 S4 Si4 -","- C92 H212 Al8 Cl16 Cr4 N4 S8 Si8 -","2","0.5","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.146","0.0863","","","0.2052","0.263","","","","","","1.061","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065020","6.7542","0.001","11.2277","0.0012","13.9266","0.0016","90.444","0.009","98.291","0.011","94.511","0.01","1041.6","0.2","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 N4 O7 Si -","- C17 H22 N4 O7 Si -","- C34 H44 N8 O14 Si2 -","2","1","","Karnezis, Asimo; O’Hair, Richard A. J.; White, Jonathan M.","Solution and Gas-Phase Investigations of Trimethylsilylpropyl-Substituted Pyridinium Ions. Manifestation of the Silicon δ Effect","Organometallics","2011","30","21","5665","","10.1021/om200510a","","","1.5418","CuKα","","0.0995","0.0742","","","0.1901","0.2148","","","","","","1.067","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065021","9.4923","0.0004","11.1549","0.0004","14.5403","0.0008","103.134","0.002","104.928","0.002","107.442","0.002","1339.61","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N P Pt -","- C31 H34 N P Pt -","- C62 H68 N2 P2 Pt2 -","2","1","","Vaughan, Teresa F.; Koedyk, David J.; Spencer, John L.","Comparison of the Reactivity of Platinum(II) and Platinum(0) Complexes with Iminophosphine and Phosphinocarbonyl Ligands","Organometallics","2011","30","19","5170","","10.1021/om2005113","","","0.71073","MOKα","","0.0231","0.0211","","","0.0556","0.0565","","","","","","1.091","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065022","13.3764","0.0005","34.9788","0.0012","13.1827","0.0005","90","","102.833","0.002","90","","6014","0.4","118","2","118","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H64 N2 P2 Pt -","- C69 H62.5 N2 P2 Pt0.98005 -","- C276 H250 N8 P8 Pt3.9202 -","4","2","","Vaughan, Teresa F.; Koedyk, David J.; Spencer, John L.","Comparison of the Reactivity of Platinum(II) and Platinum(0) Complexes with Iminophosphine and Phosphinocarbonyl Ligands","Organometallics","2011","30","19","5170","","10.1021/om2005113","","","0.71073","MoKα","","0.0673","0.0497","","","0.0891","0.0938","","","","","","1.099","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065023","13.6485","0.0011","18.4002","0.0013","14.5882","0.0011","90","","112.622","0.004","90","","3381.7","0.5","118","2","118","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 O2 P2 Pt -","- C44 H34 O2 P2 Pt -","- C176 H136 O8 P8 Pt4 -","4","0.5","","Vaughan, Teresa F.; Koedyk, David J.; Spencer, John L.","Comparison of the Reactivity of Platinum(II) and Platinum(0) Complexes with Iminophosphine and Phosphinocarbonyl Ligands","Organometallics","2011","30","19","5170","","10.1021/om2005113","","","0.71073","MoKα","","0.0746","0.0454","","","0.1163","0.1448","","","","","","1.004","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065024","12.1533","0.0004","16.3984","0.0006","14.3437","0.0005","90","","100.475","0.001","90","","2810.98","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B9 Cl Ta2 -","- C20 H41 B9 Cl Ta2 -","- C80 H164 B36 Cl4 Ta8 -","4","1","","Bose, Shubhankar Kumar; Ghosh, Sundargopal","Novel 11-Vertex, 11-Skeletal Electron Pair Tantalaborane of Unusual Shape","Organometallics","2011","30","17","4788","","10.1021/om200514t","","","0.71073","MoKα","","0.0794","0.0548","","","0.0929","0.0994","","","","","","1.143","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065025","9.7287","0.0004","6.8722","0.0003","17.5798","0.0008","90","","106.043","0.002","90","","1129.57","0.09","100","","100","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 F O -","- C14 H17 F O -","- C56 H68 F4 O4 -","4","1","","Zhao, Shu-Bin; Becker, Jennifer J.; Gagné, Michel R","Steric Crowding Makes Challenging C(sp3)-F Reductive Eliminations Feasible.","Organometallics","2011","30","15","3926","3929","10.1021/om200515f","","","1.54178","CuKα","","0.0459","0.0441","","0.1116","0.1065","0.1116","","","","","","1.0699","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065026","9.9525","0.0008","18.2899","0.0015","24.385","0.0019","90","","90","","90","","4438.8","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H40 B20 Ni P2 S2 -","- C28 H40 B20 Ni P2 S2 -","- C112 H160 B80 Ni4 P8 S8 -","4","0.5","","Hu, Ping; Yao, Zi-Jian; Wang, Jian-Qiang; Jin, Guo-Xin","Synthesis, Structure, and Olefin Polymerization Behavior of Nickel Complexes with Carborane [S,C] or [S,S] Ligands","Organometallics","2011","30","18","4935","","10.1021/om200516b","","","0.71073","MoKα","","0.0663","0.0587","","","0.1508","0.154","","","","","","1.24","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065027","19.5247","0.0008","19.5247","0.0008","9.9352","0.0003","90","","90","","90","","3787.4","0.2","100","1","100","1","","","","","","","","6","P -4 21 c","P -4 2n","114","s259","","","- C96 H76 Cl2 Fe4 P4 Ru -","- C96 H76 Cl2 Fe4 P4 Ru -","- C192 H152 Cl4 Fe8 P8 Ru2 -","2","0.25","","Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry","Organometallics","2011","30","17","4665","","10.1021/om2005194","","","0.71073","MoKα","","0.0552","0.0421","","","0.0889","0.096","","","","","","0.857","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065028","12.818","0.0002","12.818","0.0002","22.846","0.0003","90","","90","","90","","3753.62","0.1","223","1","223","1","","","","","","","","4","P -4 21 c","P -4 2n","114","Compound X","","","- C96 H70 P4 Ru -","- C96 H70 P4 Ru -","- C192 H140 P8 Ru2 -","2","0.25","","Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry","Organometallics","2011","30","17","4665","","10.1021/om2005194","","","0.71073","MoKα","","0.0341","0.0269","","","0.0612","0.0664","","","","","","1.037","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065029","15.31","0.005","15.31","0.005","23.666","0.005","90","0.005","90","0.005","90","0.005","5547","3","130","1","130","1","","","","","","","","6","I -4","I -4","82","Compound X","","","- C126 H116 Cl6 Fe4 P4 Ru -","- C114 H88 Cl6 Fe4 P4 Ru -","- C228 H176 Cl12 Fe8 P8 Ru2 -","2","0.25","","Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry","Organometallics","2011","30","17","4665","","10.1021/om2005194","","","0.71069","MoKα","","0.0895","0.0854","","","0.2166","0.2212","","","","","","1.126","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4065030","13.55","0.0003","18.1803","0.0005","27.7471","0.0005","90","","90","","90","","6835.3","0.3","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C72.5 H59 Cl O1.5 P3 Ru -","- C71 H56 Cl O P3 Ru -","- C284 H224 Cl4 O4 P12 Ru4 -","4","1","","Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry","Organometallics","2011","30","17","4665","","10.1021/om2005194","","","0.71073","MoKα","","0.0412","0.0349","","","0.0929","0.0959","","","","","","1.056","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065031","7.8598","0.0011","28.614","0.004","11.7294","0.0015","90","","92.807","0.002","90","","2634.8","0.6","185","2","185","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 F6 N2 O2 Ti -","- C24 H22 Cl2 F6 N2 O2 Ti -","- C96 H88 Cl8 F24 N8 O8 Ti4 -","4","1","","Hong, Miao; Wang, Yong-Xia; Mu, Hong-Liang; Li, Yue-Sheng","Efficient Synthesis of Hydroxylated Polyethylene via Copolymerization of Ethylene with 5-Norbornene-2-methanol using Bis(β-enaminoketonato)titanium Catalysts","Organometallics","2011","30","17","4678","","10.1021/om200526n","","","0.71073","MoKα","","0.1315","0.0579","","","0.103","0.126","","","","","","0.963","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065032","14.6987","0.0018","15.5661","0.0019","16.065","0.002","84.175","0.003","76.925","0.002","73.955","0.002","3437.9","0.7","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 Cl2 F6 N2 O2 Ti -","- C30 H34 Cl2 F6 N2 O2 Ti -","- C120 H136 Cl8 F24 N8 O8 Ti4 -","4","2","","Hong, Miao; Wang, Yong-Xia; Mu, Hong-Liang; Li, Yue-Sheng","Efficient Synthesis of Hydroxylated Polyethylene via Copolymerization of Ethylene with 5-Norbornene-2-methanol using Bis(β-enaminoketonato)titanium Catalysts","Organometallics","2011","30","17","4678","","10.1021/om200526n","","","0.71073","MoKα","","0.2005","0.0788","","","0.115","0.1352","","","","","","0.976","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065033","16.7657","0.0011","10.9727","0.0007","15.5477","0.001","90","","90","","90","","2860.2","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H16 Cl2 F8 N2 O2 Ti -","- C22 H16 Cl2 F8 N2 O2 Ti -","- C88 H64 Cl8 F32 N8 O8 Ti4 -","4","0.5","","Hong, Miao; Wang, Yong-Xia; Mu, Hong-Liang; Li, Yue-Sheng","Efficient Synthesis of Hydroxylated Polyethylene via Copolymerization of Ethylene with 5-Norbornene-2-methanol using Bis(β-enaminoketonato)titanium Catalysts","Organometallics","2011","30","17","4678","","10.1021/om200526n","","","0.71073","MoKα","","0.0589","0.0544","","","0.1591","0.1643","","","","","","1.059","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065034","11.5698","0.0003","16.3321","0.0004","17.6166","0.0004","89.199","0.001","84.057","0.001","82.613","0.001","3283.45","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H95.5 B Co N8 O0.5 -","- C69 H95.5 B Co N8 O0.5 -","- C138 H191 B2 Co2 N16 O -","2","1","","Mo, Zhenbo; Li, Yuxue; Lee, Hung Kay; Deng, Liang","Square-Planar Cobalt Complexes with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Catalytic Application","Organometallics","2011","30","17","4687","","10.1021/om200527y","","","0.71073","MoKα","","0.0827","0.052","","","0.1439","0.1643","","","","","","0.971","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065035","11.4224","0.0004","11.4224","0.0004","32.1421","0.0016","90","","90","","120","","3631.8","0.3","293","2","293","2","","","","","","","","7","P 32","P 32","145","","","","- C40 H72 B2 Co F8 N8 O -","- C40 H72 B2 Co F8 N8 O -","- C120 H216 B6 Co3 F24 N24 O3 -","3","1","","Mo, Zhenbo; Li, Yuxue; Lee, Hung Kay; Deng, Liang","Square-Planar Cobalt Complexes with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Catalytic Application","Organometallics","2011","30","17","4687","","10.1021/om200527y","","","0.71073","MoKα","","0.1413","0.0573","","","0.0985","0.1173","","","","","","0.792","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065036","11.5569","0.0003","18.8089","0.0005","23.9386","0.0006","103.176","0.001","97.061","0.001","92.145","0.001","5016.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 B Co N8 -","- C52 H68 B Co N8 -","- C208 H272 B4 Co4 N32 -","4","2","","Mo, Zhenbo; Li, Yuxue; Lee, Hung Kay; Deng, Liang","Square-Planar Cobalt Complexes with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Catalytic Application","Organometallics","2011","30","17","4687","","10.1021/om200527y","","","0.71073","MoKα","","0.1365","0.0556","","","0.1078","0.1434","","","","","","0.998","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065037","19.0429","0.0016","19.7805","0.0016","19.4011","0.0016","90","","116.133","0.001","90","","6560.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H100 B Co N8 -","- C68 H100 B Co N8 -","- C272 H400 B4 Co4 N32 -","4","1","","Mo, Zhenbo; Li, Yuxue; Lee, Hung Kay; Deng, Liang","Square-Planar Cobalt Complexes with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Catalytic Application","Organometallics","2011","30","17","4687","","10.1021/om200527y","","","0.71073","MoKα","","0.0759","0.047","","","0.1331","0.1538","","","","","","1.008","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065038","30.126","0.011","9.913","0.004","14.001","0.005","90","","111.102","0.005","90","","3901","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 B10 P S -","- C14 H21 B10 P S -","- C112 H168 B80 P8 S8 -","8","1","","Yao, Zi-Jian; Jin, Guo-Xin","Monophosphine-o-Carborane Sulfide as a Noninnocent Ligand for C,S, S,S′, and B,S,S′ Coordination Modes of Half-Sandwich Iridium and Rhodium Complexes","Organometallics","2011","30","20","5365","","10.1021/om200528q","","","0.71073","MoKα","","0.0653","0.0482","","","0.1211","0.1348","","","","","","0.96","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065039","10.1268","0.0007","11.9506","0.0008","24.0726","0.0016","90","","91.475","0.001","90","","2912.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 B10 Cl Ir P S -","- C24 H35 B10 Cl Ir P S -","- C96 H140 B40 Cl4 Ir4 P4 S4 -","4","1","","Yao, Zi-Jian; Jin, Guo-Xin","Monophosphine-o-Carborane Sulfide as a Noninnocent Ligand for C,S, S,S′, and B,S,S′ Coordination Modes of Half-Sandwich Iridium and Rhodium Complexes","Organometallics","2011","30","20","5365","","10.1021/om200528q","","","0.71073","MoKα","","0.0231","0.0194","","","0.0541","0.0559","","","","","","1.068","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065040","11.9243","0.0013","12.0239","0.0014","12.8524","0.0014","84.482","0.002","62.969","0.002","84.006","0.002","1630","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 B10 Ir P S2 -","- C24 H33.9121 B10 Ir P S2 -","- C48 H67.8242 B20 Ir2 P2 S4 -","2","1","","Yao, Zi-Jian; Jin, Guo-Xin","Monophosphine-o-Carborane Sulfide as a Noninnocent Ligand for C,S, S,S′, and B,S,S′ Coordination Modes of Half-Sandwich Iridium and Rhodium Complexes","Organometallics","2011","30","20","5365","","10.1021/om200528q","","","0.71073","MoKα","","0.068","0.0485","","","0.1505","0.1775","","","","","","1.091","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065041","11.596","0.005","12.077","0.005","12.949","0.006","78.644","0.007","87.963","0.007","77.167","0.006","1733.5","1.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C24 H35 B10 Cl P Rh S2 -","- C24 H35 B10 Cl P Rh S2 -","- C48 H70 B20 Cl2 P2 Rh2 S4 -","2","2","","Yao, Zi-Jian; Jin, Guo-Xin","Monophosphine-o-Carborane Sulfide as a Noninnocent Ligand for C,S, S,S′, and B,S,S′ Coordination Modes of Half-Sandwich Iridium and Rhodium Complexes","Organometallics","2011","30","20","5365","","10.1021/om200528q","","","0.71073","MoKα","","0.0794","0.0619","","","0.1862","0.209","","","","","","1.033","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065042","11.6277","0.0008","11.8557","0.0015","12.0237","0.0008","99.311","0.001","112.35","0.001","99.731","0.001","1463.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H35 B9 P Rh S2 -","- C24 H35 B9 P Rh S2 -","- C48 H70 B18 P2 Rh2 S4 -","2","1","","Yao, Zi-Jian; Jin, Guo-Xin","Monophosphine-o-Carborane Sulfide as a Noninnocent Ligand for C,S, S,S′, and B,S,S′ Coordination Modes of Half-Sandwich Iridium and Rhodium Complexes","Organometallics","2011","30","20","5365","","10.1021/om200528q","","","0.71073","MoKα","","0.0358","0.0279","","","0.0871","0.1288","","","","","","1.204","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065043","13.7254","0.0002","13.7211","0.0002","16.1312","0.0003","90","","90.449","0.001","90","","3037.86","0.08","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Cl2 N3 Zr -","- C32 H37 Cl2 N3 Zr -","- C128 H148 Cl8 N12 Zr4 -","4","1","","Rojas, Rene S.; Peoples, Brian C.; Cabrera, Alan R.; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard; Wiegand, Thomas; Eckert, Hellmut","Synthesis and Structure of Bifunctional Zirconocene/Borane Complexes and Their Activation for Ethylene Polymerization","Organometallics","2011","30","23","6372","","10.1021/om200536z","","","0.71073","MoKα","","0.0421","0.0361","","","0.0859","0.091","","","","","","1.069","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065044","11.6047","0.0002","13.4178","0.0002","18.6889","0.0004","106.894","0.001","98.566","0.001","105.265","0.001","2604.86","0.09","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C53.5 H41 B Cl2 F15 N3 Zr -","- C53.5 H41 B Cl2 F15 N3 Zr -","- C107 H82 B2 Cl4 F30 N6 Zr2 -","2","1","","Rojas, Rene S.; Peoples, Brian C.; Cabrera, Alan R.; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard; Wiegand, Thomas; Eckert, Hellmut","Synthesis and Structure of Bifunctional Zirconocene/Borane Complexes and Their Activation for Ethylene Polymerization","Organometallics","2011","30","23","6372","","10.1021/om200536z","","","0.71073","MoKα","","0.0715","0.0599","","","0.1415","0.1529","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065045","11.3834","0.0002","15.7024","0.0003","19.0552","0.0004","102.6","0.001","97.856","0.001","107.27","0.001","3099.12","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H38 B2 Cl2 F25 N3 Zr -","- C62 H38 B2 Cl2 F25 N3 Zr -","- C124 H76 B4 Cl4 F50 N6 Zr2 -","2","1","","Rojas, Rene S.; Peoples, Brian C.; Cabrera, Alan R.; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard; Wiegand, Thomas; Eckert, Hellmut","Synthesis and Structure of Bifunctional Zirconocene/Borane Complexes and Their Activation for Ethylene Polymerization","Organometallics","2011","30","23","6372","","10.1021/om200536z","","","0.71073","MoKα","","0.0987","0.0804","","","0.185","0.2031","","","","","","1.057","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065046","10.1817","0.0001","12.0381","0.0002","14.034","0.0003","70.978","0.001","86.227","0.001","65.639","0.001","1476.69","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cl2 N2 Zr -","- C31 H38 Cl2 N2 Zr -","- C62 H76 Cl4 N4 Zr2 -","2","1","","Rojas, Rene S.; Peoples, Brian C.; Cabrera, Alan R.; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard; Wiegand, Thomas; Eckert, Hellmut","Synthesis and Structure of Bifunctional Zirconocene/Borane Complexes and Their Activation for Ethylene Polymerization","Organometallics","2011","30","23","6372","","10.1021/om200536z","","","0.71073","MoKα","","0.0434","0.0407","","","0.0995","0.1029","","","","","","1.062","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065047","9.1601","0.0008","13.7289","0.0007","20.8276","0.0017","90","","90.209","0.002","90","","2619.2","0.3","120","2","120","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","EM9 (Acet/Et2O)","","","- C24 H8 Au Cl F10 N4 O4 -","- C24 H8 Au Cl F10 N4 O4 -","- C96 H32 Au4 Cl4 F40 N16 O16 -","4","1","","Bojan, Vilma R.; López-de-Luzuriaga, José M.; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Metal-Induced Phosphorescence in (Pentafluorophenyl)gold(III) Complexes","Organometallics","2011","30","17","4486","","10.1021/om200537w","","x-ray","0.71073","MoKα","","0.0954","0.0759","","","0.1899","0.207","","","","","","1.024","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065048","27.348","0.002","14.9523","0.001","17.1784","0.0016","90","","121.49","0.002","90","","5990","0.8","120","2","120","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","EM14 (CH2Cl2/hexane)","","","- C26 H19 Au Cl F10 N2 O4.5 -","- C26 H19 Au Cl F10 N2 O4.5 -","- C208 H152 Au8 Cl8 F80 N16 O36 -","8","1","","Bojan, Vilma R.; López-de-Luzuriaga, José M.; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Metal-Induced Phosphorescence in (Pentafluorophenyl)gold(III) Complexes","Organometallics","2011","30","17","4486","","10.1021/om200537w","","x-ray","0.71073","MoKα","","0.106","0.062","","","0.1385","0.16","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065049","7.534","0.0002","13.8179","0.0006","14.4335","0.0006","106.569","0.002","96.736","0.002","94.965","0.003","1418.84","0.1","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","EM31 (CH2Cl2/hexn)","","","- C12 H4 Au Cl2 F5 N2 -","- C12 H4 Au Cl2 F5 N2 -","- C48 H16 Au4 Cl8 F20 N8 -","4","2","","Bojan, Vilma R.; López-de-Luzuriaga, José M.; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Metal-Induced Phosphorescence in (Pentafluorophenyl)gold(III) Complexes","Organometallics","2011","30","17","4486","","10.1021/om200537w","","x-ray","0.71073","MoKα","","0.0506","0.0377","","","0.0884","0.0945","","","","","","1.034","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065050","7.5674","0.0004","7.7055","0.0005","12.993","0.0009","82.368","0.004","74.581","0.004","65.735","0.003","665.6","0.07","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","EM41 (CH2Cl2/hexn)","","","- C11 H5 Au Cl2 F5 N -","- C11 H5 Au Cl2 F5 N -","- C22 H10 Au2 Cl4 F10 N2 -","2","1","","Bojan, Vilma R.; López-de-Luzuriaga, José M.; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Metal-Induced Phosphorescence in (Pentafluorophenyl)gold(III) Complexes","Organometallics","2011","30","17","4486","","10.1021/om200537w","","x-ray","0.71073","MoKα","","0.0619","0.0574","","","0.1505","0.155","","","","","","1.112","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065051","11.148","0.008","13.357","0.01","13.864","0.011","72.748","0.009","75.411","0.01","87.04","0.01","1907","2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H44 B N Si -","- C47 H44 B N Si -","- C94 H88 B2 N2 Si2 -","2","1","","Hudson, Zachary M.; Wang, Suning","Nonconjugated Dimesitylboryl-Functionalized Phenylpyridines and Their Cyclometalated Platinum(II) Complexes","Organometallics","2011","30","17","4695","","10.1021/om200539r","","","0.71073","MoKα","","0.1591","0.0942","","","0.2315","0.2854","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065052","12.377","0.003","15.585","0.004","19.596","0.005","93.572","0.003","104.934","0.003","110.558","0.003","3370.6","1.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H40 B N -","- C45 H40 B N -","- C180 H160 B4 N4 -","4","2","","Hudson, Zachary M.; Wang, Suning","Nonconjugated Dimesitylboryl-Functionalized Phenylpyridines and Their Cyclometalated Platinum(II) Complexes","Organometallics","2011","30","17","4695","","10.1021/om200539r","","","0.71073","MoKα","","0.1205","0.0668","","","0.1622","0.196","","","","","","1.003","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065053","10.7916","0.0014","12.3946","0.0016","14.957","0.002","90","","90","","90","","2000.6","0.5","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 P -","- C27 H21 P -","- C108 H84 P4 -","4","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.042","0.0348","","","0.0755","0.0799","","","","","","1.04","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065054","30.207","0.01","30.207","0.01","7.786","0.005","90","","90","","120","","6153","5","180","2","180","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C17 H17 P -","- C17 H17 P -","- C306 H306 P18 -","18","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.1123","0.0675","","","0.1541","0.1812","","","","","","0.986","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065055","11.5469","0.0002","8.6169","0.0002","28.9057","0.0006","90","","91.011","0.001","90","","2875.63","0.1","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 F6 P2 Ru -","- C32 H26 F6 P2 Ru -","- C128 H104 F24 P8 Ru4 -","4","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.0763","0.0547","","","0.1312","0.1446","","","","","","1.047","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065056","12.4585","0.0002","16.9795","0.0002","24.1574","0.0003","90","","90","","90","","5110.23","0.12","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 F6 P2 Ru -","- C27 H24 F6 P2 Ru -","- C216 H192 F48 P16 Ru8 -","8","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.0623","0.0378","","","0.0777","0.0892","","","","","","1.025","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065057","10.8257","0.0001","13.0647","0.0002","15.7426","0.0003","90","","90","","90","","2226.55","0.06","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H22 F6 P2 Ru -","- C22 H22 F6 P2 Ru -","- C88 H88 F24 P8 Ru4 -","4","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.03","0.0258","","","0.0511","0.0534","","","","","","1.035","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065058","10.0094","0.0004","22.9497","0.0006","11.2128","0.0004","90","","103.473","0.003","90","","2504.84","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cl Ir N -","- C32 H29 Cl Ir N -","- C128 H116 Cl4 Ir4 N4 -","4","1","","Liu, Zhe; Habtemariam, Abraha; Pizarro, Ana M.; Clarkson, Guy J.; Sadler, Peter J.","Organometallic Iridium(III) Cyclopentadienyl Anticancer Complexes Containing C,N-Chelating Ligands","Organometallics","2011","30","17","4702","","10.1021/om2005468","","","0.71073","MoKα","","0.0377","0.0293","","","0.068","0.0699","","","","","","0.999","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065059","8.0509","0.00013","15.9169","0.0003","16.0586","0.0003","90","","90","","90","","2057.84","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl Ir N -","- C25 H25 Cl Ir N -","- C100 H100 Cl4 Ir4 N4 -","4","1","","Liu, Zhe; Habtemariam, Abraha; Pizarro, Ana M.; Clarkson, Guy J.; Sadler, Peter J.","Organometallic Iridium(III) Cyclopentadienyl Anticancer Complexes Containing C,N-Chelating Ligands","Organometallics","2011","30","17","4702","","10.1021/om2005468","","","0.71073","MoKα","","0.0407","0.0368","","","0.0856","0.0886","","","","","","1.054","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065060","34.092","0.004","11.7102","0.0014","17.247","0.002","90","","104.138","0.002","90","","6676.9","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H52 Cr N2 O -","- C37 H52 Cr N2 O -","- C296 H416 Cr8 N16 O8 -","8","1","","McGowan, Kevin P.; Abboud, Khalil A.; Veige, Adam S.","Trianionic NCN3‒Pincer Complexes of Chromium in Four Oxidation States (CrII, CrIII, CrIV, CrV): Determination of the Active Catalyst in Selective 1-Alkene to 2-Alkene Isomerization","Organometallics","2011","30","18","4949","","10.1021/om200547u","","","0.71073","MoKα","","0.0818","0.044","","","0.1049","0.1166","","","","","","0.969","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065061","22.234","0.006","9.352","0.002","17.041","0.004","90","","112.376","0.003","90","","3276.6","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 Cl2 Sn3 -","- C24 H54 Cl2 Sn3 -","- C96 H216 Cl8 Sn12 -","4","0.5","","Sharma, Hemant K.; Miramontes, Alma; Metta-Magaña, Alejandro J.; Pannell, Keith H.","Reaction betweentBuMgCl and SnCl4, Illustrating the Solvent-Dependent Predominant Formation of Cl(tBu2Sn)nCl (THF,n= 1; Toluene,n= 2; Hexane,n= 3) and the Subsequent Wavelength-Selective Photochemical Transformation ofn= 3 →2 →1","Organometallics","2011","30","17","4501","","10.1021/om200548s","","","0.71073","MoKα","","0.03","0.0212","","","0.0425","0.0479","","","","","","1.126","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065062","8.6077","0.0003","14.2378","0.0004","15.1147","0.0005","96.385","0.001","105.137","0.001","93.29","0.002","1769.79","0.1","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H33 F3 N Ni O5 P2 S -","- C36 H33 F3 N Ni O5 P2 S -","- C72 H66 F6 N2 Ni2 O10 P4 S2 -","2","1","","Salah, Abderrahmen B.; Offenstein, Caroline; Zargarian, Davit","Hydroamination and Alcoholysis of Acrylonitrile Promoted by the Pincer Complex {κP,κC,κP-2,6-(Ph2PO)2C6H3}Ni(OSO2CF3)","Organometallics","2011","30","20","5352","","10.1021/om200549p","","","1.54178","CuKα","","0.0658","0.0631","","","0.1736","0.1771","","","","","","1.028","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065063","12.0258","0.0004","31.2235","0.001","12.5921","0.0004","90","","113.407","0.001","90","","4339.1","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 F3 N2 Ni O5 P2 S -","- C47 H41 F3 N2 Ni O5 P2 S -","- C188 H164 F12 N8 Ni4 O20 P8 S4 -","4","1","","Salah, Abderrahmen B.; Offenstein, Caroline; Zargarian, Davit","Hydroamination and Alcoholysis of Acrylonitrile Promoted by the Pincer Complex {κP,κC,κP-2,6-(Ph2PO)2C6H3}Ni(OSO2CF3)","Organometallics","2011","30","20","5352","","10.1021/om200549p","","","1.54178","CuKα","","0.0439","0.0425","","","0.1149","0.1166","","","","","","1.017","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065064","9.8032","0.0001","18.4399","0.0003","14.8955","0.0002","90","","109.198","0.001","90","","2542.92","0.06","200","","200","","","","","","","","Synthesized by the authors. See text","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 F3 Ni O5 P2 S -","- C19 H31 F3 Ni O5 P2 S -","- C76 H124 F12 Ni4 O20 P8 S4 -","4","1","","Salah, Abderrahmen B.; Offenstein, Caroline; Zargarian, Davit","Hydroamination and Alcoholysis of Acrylonitrile Promoted by the Pincer Complex {κP,κC,κP-2,6-(Ph2PO)2C6H3}Ni(OSO2CF3)","Organometallics","2011","30","20","5352","","10.1021/om200549p","","","1.54178","CuKα","","0.0406","0.039","","","0.1042","0.1061","","","","","","1.037","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065065","11.5099","0.0004","13.1896","0.0004","14.4315","0.0005","66.105","0.002","83.163","0.002","66.897","0.002","1840.36","0.11","100","","100","","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C70 H76 F6 Ni O20 P4 S2 -","- C70 H76 F6 Ni O20 P4 S2 -","- C70 H76 F6 Ni O20 P4 S2 -","1","0.5","","Salah, Abderrahmen B.; Offenstein, Caroline; Zargarian, Davit","Hydroamination and Alcoholysis of Acrylonitrile Promoted by the Pincer Complex {κP,κC,κP-2,6-(Ph2PO)2C6H3}Ni(OSO2CF3)","Organometallics","2011","30","20","5352","","10.1021/om200549p","","","1.54178","CuKα","","0.0649","0.0583","","","0.1647","0.1732","","","","","","1.075","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065066","11.3572","0.0011","23.482","0.002","11.8573","0.0011","90","","93.543","0.002","90","","3156.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 B9 Co Fe2 S2 -","- C31 H36 B9 Co Fe2 S2 -","- C124 H144 B36 Co4 Fe8 S8 -","4","1","","Bai, Wenjuan; Liu, Guifeng; Guoyiqibayi, Gulnisa; Yan, Hong","Reactivity of the 16-Electron CpCo versus Cp*Co Half-Sandwich Complex Containing ano-Carborane-1,2-dithiolate Ligand toward Ethynylferrocene","Organometallics","2011","30","19","5188","","10.1021/om2005518","","","0.71073","MoKα","","0.0983","0.0502","","","0.0716","0.0842","","","","","","0.945","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065067","12.0829","0.0008","21.2557","0.0013","13.5383","0.0009","90","","105.001","0.001","90","","3358.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 B9 Co Fe2 O S2 -","- C31 H36 B9 Co Fe2 O S2 -","- C124 H144 B36 Co4 Fe8 O4 S8 -","4","1","","Bai, Wenjuan; Liu, Guifeng; Guoyiqibayi, Gulnisa; Yan, Hong","Reactivity of the 16-Electron CpCo versus Cp*Co Half-Sandwich Complex Containing ano-Carborane-1,2-dithiolate Ligand toward Ethynylferrocene","Organometallics","2011","30","19","5188","","10.1021/om2005518","","","0.71073","MoKα","","0.0447","0.0332","","","0.0875","0.0906","","","","","","1.005","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065068","39.227","0.003","6.4461","0.0006","20.789","0.0018","90","","115.16","0.001","90","","4758","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 B10 Co Fe S2 -","- C19 H25 B10 Co Fe S2 -","- C152 H200 B80 Co8 Fe8 S16 -","8","1","","Bai, Wenjuan; Liu, Guifeng; Guoyiqibayi, Gulnisa; Yan, Hong","Reactivity of the 16-Electron CpCo versus Cp*Co Half-Sandwich Complex Containing ano-Carborane-1,2-dithiolate Ligand toward Ethynylferrocene","Organometallics","2011","30","19","5188","","10.1021/om2005518","","","0.71073","MoKα","","0.0528","0.0433","","","0.1224","0.1278","","","","","","1.01","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065069","11.4377","0.0013","20.149","0.002","17.84","0.002","90","","93.293","0.002","90","","4104.6","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 B10 Cl2 Co Fe2 S2 -","- C37 H47 B10 Cl2 Co Fe2 S2 -","- C148 H188 B40 Cl8 Co4 Fe8 S8 -","4","1","","Bai, Wenjuan; Liu, Guifeng; Guoyiqibayi, Gulnisa; Yan, Hong","Reactivity of the 16-Electron CpCo versus Cp*Co Half-Sandwich Complex Containing ano-Carborane-1,2-dithiolate Ligand toward Ethynylferrocene","Organometallics","2011","30","19","5188","","10.1021/om2005518","","","0.71073","MoKα","","0.0616","0.0435","","","0.1172","0.1236","","","","","","1.02","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065070","9.335","0.003","13.704","0.004","22.207","0.007","90","","90","","90","","2840.9","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 B10 Fe2 S2 -","- C26 H30 B10 Fe2 S2 -","- C104 H120 B40 Fe8 S8 -","4","1","","Bai, Wenjuan; Liu, Guifeng; Guoyiqibayi, Gulnisa; Yan, Hong","Reactivity of the 16-Electron CpCo versus Cp*Co Half-Sandwich Complex Containing ano-Carborane-1,2-dithiolate Ligand toward Ethynylferrocene","Organometallics","2011","30","19","5188","","10.1021/om2005518","","","0.71073","MoKα","","0.048","0.0381","","","0.0963","0.1009","","","","","","1.141","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065071","10.5328","0.0005","17.2302","0.0009","23.0134","0.0012","90","","94.098","0.001","90","","4165.8","0.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H55 N2 O2 P2 Rb Si2 -","- C39 H55 N2 O2 P2 Rb Si2 -","- C156 H220 N8 O8 P8 Rb4 Si8 -","4","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","0.71073","MoKα","","0.0559","0.0372","","","0.0906","0.099","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4065072","13.8885","0.0002","16.7771","0.0004","38.3042","0.0005","90","","96.1663","0.0013","90","","8873.6","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H59 Cs N2 O4 P2 Si2 -","- C39 H59 Cs N2 O4 P2 Si2 -","- C312 H472 Cs8 N16 O32 P16 Si16 -","8","2","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","1.5418","CuKα","","0.0532","0.0484","","","0.1231","0.1261","","","","","","1.073","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065073","10.5879","0.0011","11.1951","0.0012","16.342","0.0012","107.63","0.008","102.177","0.008","92.073","0.009","1794.1","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H52 N2 P2 -","- C45 H52 N2 P2 -","- C90 H104 N4 P4 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","1.5418","CuKα","","0.0596","0.0511","","","0.136","0.145","","","","","","1.04","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065074","27.309","0.0007","12.5276","0.0003","22.2817","0.0006","90","","90","","90","","7622.9","0.3","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C90 H102 Li2 N4 P4 -","- C90 H102 Li2 N4 P4 -","- C360 H408 Li8 N16 P16 -","4","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","1.5418","CuKα","","0.063","0.0499","","","0.1128","0.1192","","","","","","1.049","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065075","29.1701","0.0004","20.3182","0.0003","23.9244","0.0003","90","","105.757","0.0014","90","","13646.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H67 N2 Na O2 P2 -","- C53 H67 N2 Na O2 P2 -","- C636 H804 N24 Na12 O24 P24 -","12","3","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","1.5418","CuKα","","0.0445","0.0379","","","0.0965","0.102","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065076","10.2558","0.0011","20.195","0.002","10.8602","0.0011","90","","94.588","0.002","90","","2242.1","0.4","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H67 K N2 O2 P2 -","- C53 H67 K N2 O2 P2 -","- C106 H134 K2 N4 O4 P4 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","0.71073","MoKα","","0.0293","0.0286","","","0.0736","0.0741","","","","","","1.06","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065077","11.2873","0.0009","14.3668","0.001","16.6811","0.0012","80.26","0.006","73.219","0.007","71.248","0.007","2443.7","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.5 H71 N2 O2 P2 Rb -","- C53 H67 N2 O2 P2 Rb -","- C106 H134 N4 O4 P4 Rb2 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","1.5418","CuKα","","0.0342","0.0316","","","0.0811","0.0829","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065078","20.2678","0.0017","13.4245","0.0014","19.364","0.0011","90","","103.809","0.007","90","","5116.4","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H76 Cs N2 O5 P2 -","- C53 H71 Cs N2 O4 P2 -","- C212 H284 Cs4 N8 O16 P8 -","4","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","1.5418","CuKα","","0.071","0.0606","","","0.163","0.173","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4065079","9.8191","0.0004","11.9347","0.0004","19.251","0.0009","77.233","0.004","77.04","0.004","83.684","0.003","2139.82","0.16","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C38.5 H51 I2 La N2 O P2 Si2 -","- C38.5 H51 I2 La N2 O P2 Si2 -","- C77 H102 I4 La2 N4 O2 P4 Si4 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","1.5418","CuKα","","0.0715","0.0595","","","0.16","0.17","","","","","","1.09","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065080","13.044","0.0008","39.599","0.002","20.1193","0.0012","90","","90.184","0.001","90","","10392.2","1","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C110 H142 I4 La2 N4 O5 P4 -","- C110 H142 I4 La2 N4 O5 P4 -","- C440 H568 I16 La8 N16 O20 P16 -","4","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","0.71073","MoKα","","0.0288","0.0266","","","0.07","0.0712","","","","","","1.11","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4065081","20.034","0.016","16.208","0.013","13.63","0.011","90","","100.972","0.009","90","","4345","6","213","2","213","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C45 H49 Au2 N3 O3 P2 -","- C45 H49 Au2 N3 O3 P2 -","- C180 H196 Au8 N12 O12 P8 -","4","1","","Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, John P.","Novel Mixed Coordination of N and C Donors to Gold‒Gold Centers","Organometallics","2011","30","20","5374","","10.1021/om200556x","","","0.71073","MoKα","","0.1147","0.0682","","","0.1271","0.137","","","","","","1.099","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065082","10.58","0.006","16.133","0.009","18.634","0.01","90","","104.024","0.008","90","","3086","3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Au2 Cl N2 P -","- C31 H34 Au2 Cl N2 P -","- C124 H136 Au8 Cl4 N8 P4 -","4","1","","Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, John P.","Novel Mixed Coordination of N and C Donors to Gold‒Gold Centers","Organometallics","2011","30","20","5374","","10.1021/om200556x","","","0.71073","MoKα","","0.0681","0.0371","","","0.0828","0.0991","","","","","","1.089","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065083","22.1144","0.0016","56.875","0.004","10.8177","0.0007","90","","90","","90","","13606","1.6","110","2","110","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C37 H39 Au2 N2 P -","- C37 H39 Au2 N2 P -","- C592 H624 Au32 N32 P16 -","16","1","","Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, John P.","Novel Mixed Coordination of N and C Donors to Gold‒Gold Centers","Organometallics","2011","30","20","5374","","10.1021/om200556x","","","0.71073","MoKα","","0.0524","0.0502","","","0.1151","0.1161","","","","","","1.1","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065084","8.594","0.008","12.966","0.012","14.062","0.014","92.895","0.017","95.603","0.017","92.166","0.017","1556","3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Au F6 N2 P2 -","- C31 H35 Au F6 N2 P2 -","- C62 H70 Au2 F12 N4 P4 -","2","1","","Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, John P.","Novel Mixed Coordination of N and C Donors to Gold‒Gold Centers","Organometallics","2011","30","20","5374","","10.1021/om200556x","","","0.71073","MoKα","","0.1051","0.0613","","","0.1069","0.128","","","","","","1.09","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065085","9.1951","0.0014","9.7544","0.0014","12.6054","0.0019","90","","96.612","0.002","90","","1123.1","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1393 rs [PdCl~2~((R,S~Fc~)-6)].CHCl~3~","Dichloro[(R,S~p~)-1-(4,5-dihydrooxazol-2-yl)-2-[1-(N,N-dimethylamino)ethyl]- ferrocene-N,P]palladium chloroform solvate","","- C18 H23 Cl5 Fe N2 O Pd -","- C18 H23 Cl5 Fe N2 O Pd -","- C36 H46 Cl10 Fe2 N4 O2 Pd2 -","2","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0375","0.0348","","","0.0821","0.0834","","","","","","1.051","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065086","12.171","0.0003","10.8958","0.0002","13.1311","0.0003","90","","102.759","0.001","90","","1698.35","0.07","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","1455 rasc457 [PdCl~2~((4S,1'R,R~Fc~)-19)].CHCl~3~","Dichloro[(4S,1'R,R~Fc~)-2-(4,5-dihydro-4-phenyloxazol-2-yl)-1- [1-(diphenylphosphino)ethyl]-ferrocene-N,P]palladium chloroform solvate","","- C34 H31 Cl5 Fe N O P Pd -","- C34 H31 Cl5 Fe N O P Pd -","- C68 H62 Cl10 Fe2 N2 O2 P2 Pd2 -","2","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0247","0.023","","","0.0541","0.0549","","","","","","1.039","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065087","9.3635","0.0001","16.4396","0.0002","13.0475","0.0002","90","","107.376","0.001","90","","1916.78","0.04","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","1452 RASC455 [PdCl~2~((4R,1'R,R~Fc~)-19)].2(CHCl~3~)","Dichloro[(4R,1'R,R~Fc~)-2-(4,5-dihydro-4-phenyloxazol-2-yl)-1- [1-(diphenylphosphino)ethyl]-ferrocene-N,P]palladium bis(chloroform) solvate","","- C35 H32 Cl8 Fe N O P Pd -","- C35 H32 Cl8 Fe N O P Pd -","- C70 H64 Cl16 Fe2 N2 O2 P2 Pd2 -","2","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0195","0.0191","","","0.0479","0.0481","","","","","","1.053","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065088","9.9235","0.0002","14.5925","0.0002","22.8391","0.0004","90","","90","","90","","3307.3","0.1","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","1451 AFZI041 (S~Ru~)-[RuCl(p-cymene)((R,S~Fc~)-12)]PF~6~.CHCl~3~","(S~Ru~)-Chloro[(R,S~Fc~)-1-(4,5-dihydrooxazol-2-yl-κN)- 2-[1-(1H-pyrazol-1-yl)ethyl-κN]-ferrocene](ν^6^-p-cymene)ruthenium hexafluorophosphate chloroform solvate","","- C29 H34 Cl4 F6 Fe N3 O P Ru -","- C29 H34 Cl4 F6 Fe N3 O P Ru -","- C116 H136 Cl16 F24 Fe4 N12 O4 P4 Ru4 -","4","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0203","0.0196","","","0.0485","0.0489","","","","","","1.046","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065089","11.539","0.002","12.534","0.002","54.612","0.008","90","","90","","90","","7899","2","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","1473 rasc449 (R~Ru~)-[RuCl(p-cymene)((4S,1'R,R~Fc~)-19)]PF~6~","(R~Ru~)-Chloro[(4S,1'R,RFc)-2-(4,5-dihydro-4-phenyloxazol-2-yl-κN)- 1-[1-(diphenylphosphino)ethyl-κP]-ferrocene](ν~6~-p-cymene)ruthenium hexafluorophosphate","","- C43 H44 Cl F6 Fe N O P2 Ru -","- C43 H44 Cl F6 Fe N O P2 Ru -","- C344 H352 Cl8 F48 Fe8 N8 O8 P16 Ru8 -","8","2","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.1381","0.1288","","","0.2681","0.2726","","","","","","1.175","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065090","9.9046","0.0003","10.663","0.0003","11.8693","0.0004","114.932","0.002","97.005","0.002","98.421","0.002","1100.65","0.06","100","2","100","2","","","","","","","","9","P 1","P 1","1","1460 RASC448/449 (R~Ru~)-[RuCl(p-cymene)((4R,1'R,R~Fc~)-19)]PF~6~.CHCl~3~","(R~Ru~)-Chloro[(4R,1'R,R~Fc~)-2-(4,5-dihydro-4-phenyloxazol-2-yl-κN)- 1-[1-(diphenylphosphino)ethyl-κP]-ferrocene-N,P](ν6-p-cymene)ruthenium hexafluorophosphate chlroform solvate","","- C44 H45 Cl4 F6 Fe N O P2 Ru -","- C44 H45 Cl4 F6 Fe N O P2 Ru -","- C44 H45 Cl4 F6 Fe N O P2 Ru -","1","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0195","0.0193","","","0.0497","0.05","","","","","","1.052","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065091","10.3557","0.0002","15.304","0.0002","18.1959","0.0003","90","","93.71","0.001","90","","2877.71","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 Fe O2 P4 -","- C24 H50 Fe O2 P4 -","- C96 H200 Fe4 O8 P16 -","4","1","","Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong","Iron Hydride Complexes Bearing Phosphinite-Based Pincer Ligands: Synthesis, Reactivity, and Catalytic Application in Hydrosilylation Reactions","Organometallics","2011","30","17","4720","","10.1021/om2005589","","","1.54178","CuKα","","0.0425","0.0347","","","0.0888","0.0938","","","","","","1.047","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065092","10.6189","0.0001","14.7715","0.0002","15.9611","0.0002","90","","91.729","0.001","90","","2502.47","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 Fe O3 P3 -","- C22 H41 Fe O3 P3 -","- C88 H164 Fe4 O12 P12 -","4","1","","Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong","Iron Hydride Complexes Bearing Phosphinite-Based Pincer Ligands: Synthesis, Reactivity, and Catalytic Application in Hydrosilylation Reactions","Organometallics","2011","30","17","4720","","10.1021/om2005589","","","1.54178","CuKα","","0.0423","0.0356","","","0.0907","0.0951","","","","","","1.04","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065093","10.7596","0.0002","14.0546","0.0003","14.9506","0.0003","82.846","0.001","87.478","0.001","89.989","0.001","2241.05","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Fe O4 P2 -","- C20 H32 Fe O4 P2 -","- C80 H128 Fe4 O16 P8 -","4","2","","Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong","Iron Hydride Complexes Bearing Phosphinite-Based Pincer Ligands: Synthesis, Reactivity, and Catalytic Application in Hydrosilylation Reactions","Organometallics","2011","30","17","4720","","10.1021/om2005589","","","1.54178","CuKα","","0.0388","0.0338","","","0.0871","0.0913","","","","","","1.029","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065094","11.1079","0.0011","17.0588","0.0017","16.0537","0.0016","90","","92.675","0.001","90","","3038.7","0.5","201","2","201","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H52 Cr Li N4 O P2 -","- C22 H52 Cr Li N4 O P2 -","- C88 H208 Cr4 Li4 N16 O4 P8 -","4","0.5","","Albahily, Khalid; Fomitcheva, Valeria; Shaikh, Yacoob; Sebastiao, Elena; Gorelsky, Serge I.; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","New Self-Activating Organochromium Catalyst Precursor for Selective Ethylene Trimerization.","Organometallics","2011","30","15","4201","","10.1021/om200560e","","","0.71073","MoKα","","0.0588","0.0442","","","0.1178","0.1282","","","","","","1.08","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065095","11.003","0.006","16.789","0.009","22.718","0.012","90","","90.297","0.007","90","","4197","4","201","2","201","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Cr2 Li2 N4 O3 P2 -","- C32 H72 Cr2 Li2 N4 O3 P2 -","- C128 H288 Cr8 Li8 N16 O12 P8 -","4","1","","Albahily, Khalid; Fomitcheva, Valeria; Shaikh, Yacoob; Sebastiao, Elena; Gorelsky, Serge I.; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","New Self-Activating Organochromium Catalyst Precursor for Selective Ethylene Trimerization.","Organometallics","2011","30","15","4201","","10.1021/om200560e","","","0.71073","MoKα","","0.0909","0.0672","","","0.1741","0.1876","","","","","","1.076","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065096","14.1471","0.0014","9.7637","0.001","34.114","0.003","90","","92.404","0.005","90","","4708","0.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H71 Cr2 N4 O0.5 P2 -","- C46 H71 Cr2 N4 O0.5 P2 -","- C184 H284 Cr8 N16 O2 P8 -","4","1","","Albahily, Khalid; Fomitcheva, Valeria; Shaikh, Yacoob; Sebastiao, Elena; Gorelsky, Serge I.; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","New Self-Activating Organochromium Catalyst Precursor for Selective Ethylene Trimerization.","Organometallics","2011","30","15","4201","","10.1021/om200560e","","","0.71073","MoKα","","0.0711","0.0425","","","0.1021","0.115","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065097","13.842","0.001","17.7755","0.0013","19.1806","0.0014","98.165","0.001","105.342","0.001","101.923","0.001","4355.2","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H126 Cr2 N8 O1.75 P4 -","- C87 H126 Cr2 N8 O1.75 P4 -","- C174 H252 Cr4 N16 O3.5 P8 -","2","1","","Albahily, Khalid; Fomitcheva, Valeria; Shaikh, Yacoob; Sebastiao, Elena; Gorelsky, Serge I.; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","New Self-Activating Organochromium Catalyst Precursor for Selective Ethylene Trimerization.","Organometallics","2011","30","15","4201","","10.1021/om200560e","","","0.71073","MoKα","","0.1023","0.0618","","","0.1615","0.1887","","","","","","1.039","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065098","8.9087","0.0012","15.686","0.002","27.615","0.004","90","","97.571","0.004","90","","3825.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1b","","","- C74 H120 I2 P4 Pt2 -","- C74 H120 I2 P4 Pt2 -","- C148 H240 I4 P8 Pt4 -","2","0.5","","Nguyen, Minh-Hai; Yip, John H. K.","Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination","Organometallics","2011","30","23","6383","","10.1021/om2005645","","","0.71073","MoKα","","0.0357","0.0296","","","0.0658","0.072","","","","","","1.063","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065099","8.5325","0.0019","12.255","0.003","15.834","0.004","95.889","0.004","95.537","0.004","100.011","0.004","1610.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2.2CH2Cl2","","","- C64 H86 Cl4 P4 Pt2 S2 -","- C64 H86 Cl4 P4 Pt2 S2 -","- C64 H86 Cl4 P4 Pt2 S2 -","1","0.5","","Nguyen, Minh-Hai; Yip, John H. K.","Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination","Organometallics","2011","30","23","6383","","10.1021/om2005645","","","0.71073","MoKα","","0.0607","0.0494","","","0.0999","0.104","","","","","","1.109","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065100","9.3267","0.0012","10.0902","0.0013","32.989","0.004","90","","94.049","0.003","90","","3096.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3","","","- C66 H82 P4 Pt2 -","- C66 H82 P4 Pt2 -","- C132 H164 P8 Pt4 -","2","0.5","","Nguyen, Minh-Hai; Yip, John H. K.","Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination","Organometallics","2011","30","23","6383","","10.1021/om2005645","","","0.71073","MoKα","","0.0473","0.0366","","","0.0845","0.0989","","","","","","1.078","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065101","22.021","0.004","9.6457","0.0017","22.317","0.004","90","","111.396","0.005","90","","4413.6","1.4","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","4.2H2O","","","- C88 H106 F6 O8 P6 Pt2 S2 -","- C88 H102 F6 O8 P6 Pt2 S2 -","- C176 H204 F12 O16 P12 Pt4 S4 -","2","0.5","","Nguyen, Minh-Hai; Yip, John H. K.","Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination","Organometallics","2011","30","23","6383","","10.1021/om2005645","","","0.71073","MoKα","","0.0771","0.0615","","","0.1397","0.1468","","","","","","1.142","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065102","9.359","0.005","19.357","0.009","20.162","0.01","77.513","0.009","85.523","0.01","78.643","0.009","3494","3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","5.CH2Cl2","","","- C63 H84 Cl2 F6 N2 O6 P4 Pt2 S2 -","- C63 H84 Cl2 F6 N2 O6 P4 Pt2 S2 -","- C126 H168 Cl4 F12 N4 O12 P8 Pt4 S4 -","2","1","","Nguyen, Minh-Hai; Yip, John H. K.","Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination","Organometallics","2011","30","23","6383","","10.1021/om2005645","","","0.71073","MoKα","","0.1151","0.0684","","","0.1758","0.1955","","","","","","1.033","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065103","18.47","0.003","9.6544","0.0013","39.616","0.006","90","","99.54","0.003","90","","6966.5","1.8","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","6","","","- C68 H90 Cl2 N2 O8 P4 Pt2 -","- C68 H90 Cl2 N2 O8 P4 Pt2 -","- C272 H360 Cl8 N8 O32 P16 Pt8 -","4","1","","Nguyen, Minh-Hai; Yip, John H. K.","Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination","Organometallics","2011","30","23","6383","","10.1021/om2005645","","","0.71073","MoKα","","0.0854","0.0603","","","0.1396","0.1527","","","","","","1.02","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065104","18.1409","0.001","7.9853","0.0004","15.7083","0.0008","90","","92.344","0.005","90","","2273.6","0.2","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MegaFluorus","","","- C21 H8 F18 N2 -","- C21 H8 F18 N2 -","- C84 H32 F72 N8 -","4","0.5","","Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions","Organometallics","2011","30","20","5381","","10.1021/om200566a","","","0.71073","MoKα","","0.0479","0.0399","","","0.0952","0.1003","","","","","","1.012","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065105","12.826","0.0005","7.7523","0.0003","23.5141","0.0008","90","","92.823","0.003","90","","2335.19","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BzRuCl(m-MeNacNacMe)","","","- C27 H31 Cl N2 Ru -","- C27 H31 Cl N2 Ru -","- C108 H124 Cl4 N8 Ru4 -","4","1","","Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions","Organometallics","2011","30","20","5381","","10.1021/om200566a","","","0.71073","MoKα","","0.0385","0.0283","","","0.0593","0.0624","","","","","","1.032","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065106","13.9664","0.0012","14.3848","0.0017","16.505","0.002","73.464","0.008","74.038","0.007","63.144","0.008","2794.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","BzRuOTf(m-MeNacNacMe)","","","- C28 H31 F3 N2 O3 Ru S -","- C28 H31 F3 N2 O3 Ru S -","- C112 H124 F12 N8 O12 Ru4 S4 -","4","2","","Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions","Organometallics","2011","30","20","5381","","10.1021/om200566a","","","0.71073","MoKα","","0.038","0.0275","","","0.0589","0.065","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065107","13.2799","0.0003","12.6155","0.0002","17.3582","0.0004","90","","99.075","0.002","90","","2871.66","0.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","BzRuCl(megaF)","","","- C27 H13 Cl F18 N2 Ru -","- C27 H13 Cl F18 N2 Ru -","- C108 H52 Cl4 F72 N8 Ru4 -","4","1","","Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions","Organometallics","2011","30","20","5381","","10.1021/om200566a","","","0.7107","","","0.0297","0.0253","","","0.0631","0.0686","","","","","","1.068","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065108","14.5031","0.0003","10.7739","0.0002","24.4532","0.0006","90","","93.149","0.002","90","","3815.16","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pCymRuCl(MegaF)","","","- C32 H22 Cl4 F18 N2 Ru -","- C32 H22 Cl4 F18 N2 Ru -","- C128 H88 Cl16 F72 N8 Ru4 -","4","1","","Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions","Organometallics","2011","30","20","5381","","10.1021/om200566a","","","0.71073","MoKα","","0.0624","0.0564","","","0.1365","0.1389","","","","","","1.177","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065109","28.8657","0.0008","10.0683","0.0002","22.3077","0.0006","90","","90","","90","","6483.3","0.3","133","2","133","2","","","","","","","","7","P c a 21","P 2c -2ac","29","BzRuOTf(MegaF)","","","- C28 H13 F21 N2 O3 Ru S -","- C28 H13 F21 N2 O3 Ru S -","- C224 H104 F168 N16 O24 Ru8 S8 -","8","2","","Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions","Organometallics","2011","30","20","5381","","10.1021/om200566a","","","0.71073","MoKα","","0.0535","0.0403","","","0.0811","0.087","","","","","","1.029","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065110","21.8475","0.0006","16.0097","0.0003","20.6323","0.0008","90","","109.822","0.004","90","","6789","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[pCymRu(MegaF)]BArF","","","- C64 H35 B Cl2 F42 N2 Ru -","- C64 H35 B Cl2 F42 N2 Ru -","- C256 H140 B4 Cl8 F168 N8 Ru4 -","4","0.5","","Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions","Organometallics","2011","30","20","5381","","10.1021/om200566a","","","0.71073","MoKα","","0.062","0.0533","","","0.1274","0.1317","","","","","","1.068","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065111","12.7871","0.0003","12.8768","0.0003","21.0475","0.0005","90.011","0.002","103.871","0.002","94.406","0.002","3353.99","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H37 B F42 N2 O Ru -","- C66 H37 B F42 N2 O Ru -","- C132 H74 B2 F84 N4 O2 Ru2 -","2","1","","Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D.","Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions","Organometallics","2011","30","20","5381","","10.1021/om200566a","","","0.71073","MoKα","","0.051","0.0394","","","0.0907","0.0982","","","","","","1.035","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065112","11.1848","0.0004","15.8115","0.0006","18.1557","0.001","90","","103.037","0.003","90","","3128","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H12 B F20 P -","- C32 H12 B F20 P -","- C128 H48 B4 F80 P4 -","4","2","","Rosorius, Christoph; Kehr, Gerald; Fröhlich, Roland; Grimme, Stefan; Erker, Gerhard","Electronic Control of Frustrated Lewis Pair Behavior: Chemistry of a Geminal Alkylidene-Bridged Per-pentafluorophenylated P/B Pair","Organometallics","2011","30","15","4211","","10.1021/om200569k","","","1.54178","CuKα","","0.0623","0.0494","","","0.114","0.1246","","","","","","1.03","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065113","33.3804","0.0008","40.8995","0.0009","9.9755","0.0004","90","","90","","90","","13619","0.7","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C35.5 H11 B Cl F20 P -","- C35.5 H11 B Cl F20 P -","- C568 H176 B16 Cl16 F320 P16 -","16","1","","Rosorius, Christoph; Kehr, Gerald; Fröhlich, Roland; Grimme, Stefan; Erker, Gerhard","Electronic Control of Frustrated Lewis Pair Behavior: Chemistry of a Geminal Alkylidene-Bridged Per-pentafluorophenylated P/B Pair","Organometallics","2011","30","15","4211","","10.1021/om200569k","","","1.54178","CuKα","","0.0392","0.0374","","","0.0922","0.094","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065114","10.602","0.0003","17.5414","0.0006","18.9734","0.0006","90","","90.29","0.002","90","","3528.51","0.19","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H10 B F20 O P -","- C34 H10 B F20 O P -","- C136 H40 B4 F80 O4 P4 -","4","1","","Rosorius, Christoph; Kehr, Gerald; Fröhlich, Roland; Grimme, Stefan; Erker, Gerhard","Electronic Control of Frustrated Lewis Pair Behavior: Chemistry of a Geminal Alkylidene-Bridged Per-pentafluorophenylated P/B Pair","Organometallics","2011","30","15","4211","","10.1021/om200569k","","","1.54178","CuKα","","0.1055","0.0846","","","0.2402","0.2586","","","","","","1.075","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065115","10.9273","0.0004","11.9928","0.0004","16.7507","0.0008","70.979","0.005","89.996","0.004","73.451","0.005","1978.89","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H16 B Cl4 F20 O P -","- C38 H16 B Cl4 F20 O P -","- C76 H32 B2 Cl8 F40 O2 P2 -","2","1","","Rosorius, Christoph; Kehr, Gerald; Fröhlich, Roland; Grimme, Stefan; Erker, Gerhard","Electronic Control of Frustrated Lewis Pair Behavior: Chemistry of a Geminal Alkylidene-Bridged Per-pentafluorophenylated P/B Pair","Organometallics","2011","30","15","4211","","10.1021/om200569k","","","1.54178","CuKα","","0.052","0.044","","","0.107","0.1125","","","","","","1.047","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065116","6.5253","0.0003","8.7886","0.0005","11.8046","0.0007","110.092","0.003","92.27","0.003","99.908","0.003","622.72","0.06","169","1","169","1","","","","","","","","3","P -1","-P 1","2","","","","- C8 H20 Sb2 -","- C8 H20 Sb2 -","- C16 H40 Sb4 -","2","1","","Kuczkowski, Andreas; Heimann, Stefan; Weber, Anna; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Structural Characterization of Et4Sb2and Et4Bi2","Organometallics","2011","30","17","4730","","10.1021/om2005723","","","0.71073","MoKα","","0.0505","0.0445","","","0.1111","0.1212","","","","","","1.084","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065117","9.3823","0.0004","7.3766","0.0004","9.7306","0.0004","90","","112.638","0.003","90","","621.56","0.05","170","1","170","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Bi2 -","- C8 H20 Bi2 -","- C16 H40 Bi4 -","2","0.5","","Kuczkowski, Andreas; Heimann, Stefan; Weber, Anna; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Structural Characterization of Et4Sb2and Et4Bi2","Organometallics","2011","30","17","4730","","10.1021/om2005723","","","0.71073","MoKα","","0.048","0.0394","","","0.0943","0.0979","","","","","","1.083","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065118","9.1479","0.0013","9.2924","0.0013","17.122","0.003","100.828","0.003","94.157","0.003","113.083","0.002","1297.8","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H44 Ga2 Si -","- C23 H44 Ga2 Si -","- C46 H88 Ga4 Si2 -","2","1","","Uhl, Werner; Kovert, Dirk; Zemke, Sarina; Hepp, Alexander","Unexpected Formation of Ga4C2H4Heteroadamantane Cages by the Reaction of Carbon-Bridged Bis(dichlorogallium) Compounds withtert-Butyllithium","Organometallics","2011","30","17","4736","","10.1021/om200573g","","","0.71073","MoKα","","0.0673","0.0432","","","0.0887","0.0985","","","","","","1.06","","","","has coordinates,has disorder","288159","2023-12-07","20:51:56",""
"4065119","21.852","0.004","10.257","0.002","21.213","0.004","90","","112.836","0.004","90","","4381.9","1.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H72 Ga4 Si2 -","- C38 H72 Ga4 Si2 -","- C152 H288 Ga16 Si8 -","4","1","","Uhl, Werner; Kovert, Dirk; Zemke, Sarina; Hepp, Alexander","Unexpected Formation of Ga4C2H4Heteroadamantane Cages by the Reaction of Carbon-Bridged Bis(dichlorogallium) Compounds withtert-Butyllithium","Organometallics","2011","30","17","4736","","10.1021/om200573g","","","0.71073","MoKα","","0.0592","0.0395","","","0.0824","0.0887","","","","","","1.02","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065120","10.8708","0.0003","13.595","0.0004","21.347","0.0006","105.185","0.0004","96.4344","0.0004","108.645","0.0004","2817.99","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H80 Ga4 Si2 -","- C58 H80 Ga4 Si2 -","- C116 H160 Ga8 Si4 -","2","1","","Uhl, Werner; Kovert, Dirk; Zemke, Sarina; Hepp, Alexander","Unexpected Formation of Ga4C2H4Heteroadamantane Cages by the Reaction of Carbon-Bridged Bis(dichlorogallium) Compounds withtert-Butyllithium","Organometallics","2011","30","17","4736","","10.1021/om200573g","","","0.71073","MoKα","","0.0555","0.0368","","","0.0864","0.0933","","","","","","0.995","","","","has coordinates","288159","2023-12-07","20:51:57",""
"4065121","11.3303","0.0006","11.4702","0.0007","19.8903","0.0011","76.806","0.001","81.027","0.001","79.858","0.001","2459.3","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H84 Ga4 Si2 -","- C44 H84 Ga4 Si2 -","- C88 H168 Ga8 Si4 -","2","1","","Uhl, Werner; Kovert, Dirk; Zemke, Sarina; Hepp, Alexander","Unexpected Formation of Ga4C2H4Heteroadamantane Cages by the Reaction of Carbon-Bridged Bis(dichlorogallium) Compounds withtert-Butyllithium","Organometallics","2011","30","17","4736","","10.1021/om200573g","","","0.71073","MoKα","","0.1087","0.0482","","","0.0915","0.1102","","","","","","0.941","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065122","11.3848","0.0002","12.0924","0.0002","18.4019","0.0003","80.451","0.001","74.675","0.001","68.674","0.001","2269.12","0.07","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H76 Ga4 Si2 -","- C40 H76 Ga4 Si2 -","- C80 H152 Ga8 Si4 -","2","1","","Uhl, Werner; Kovert, Dirk; Zemke, Sarina; Hepp, Alexander","Unexpected Formation of Ga4C2H4Heteroadamantane Cages by the Reaction of Carbon-Bridged Bis(dichlorogallium) Compounds withtert-Butyllithium","Organometallics","2011","30","17","4736","","10.1021/om200573g","","","1.54184","CuKα","","0.0489","0.0366","","","0.0891","0.0952","","","","","","1.026","","","","has coordinates,has disorder","288159","2023-12-07","20:51:57",""
"4065123","7.2177","0.0005","12.5755","0.0008","31.99","0.002","90","","90","","90","","2903.6","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Fe P2 -","- C34 H38 Fe P2 -","- C136 H152 Fe4 P8 -","4","1","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.0619","0.0526","","","0.1144","0.1227","","","","","","1.151","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065124","10.076","0.0016","14.598","0.002","14.085","0.002","90","","110.273","0.003","90","","1943.4","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H42 Cl6 Fe P2 Pd -","- C36 H42 Cl6 Fe P2 Pd -","- C72 H84 Cl12 Fe2 P4 Pd2 -","2","1","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.05","0.0468","","","0.1164","0.1182","","","","","","1.085","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065125","10.2517","0.0005","17.0419","0.0008","10.7565","0.0005","90","","97.406","0.001","90","","1863.57","0.15","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H44 Cl4 Fe P2 Pd -","- C38 H44 Cl4 Fe P2 Pd -","- C76 H88 Cl8 Fe2 P4 Pd2 -","2","1","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.0593","0.0512","","","0.1334","0.1391","","","","","","1.032","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065126","8.5565","0.0006","16.0505","0.0011","19.3687","0.0013","90","","90","","90","","2660","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Cl2 F6 Fe O P2 Pd -","- C24 H27 Cl2 F6 Fe O P2 Pd -","- C96 H108 Cl8 F24 Fe4 O4 P8 Pd4 -","4","1","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.0393","0.0348","","","0.0707","0.0725","","","","","","1.039","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065127","12.2973","0.0011","13.4782","0.0012","18.4298","0.0016","80.834","0.002","82.089","0.002","64.8","0.002","2720.3","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C50 H52 Cl5 F12 Fe2 P4 Pd -","- C50 H52 Cl5 F12 Fe2 P4 Pd -","- C100 H104 Cl10 F24 Fe4 P8 Pd2 -","2","2","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.0602","0.0549","","","0.1402","0.1451","","","","","","1.044","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065128","14.2907","0.0009","6.2072","0.0004","30.942","0.002","90","","94.707","0.005","90","","2735.5","0.3","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C35 H43 -","- C35 H43 -","- C140 H172 -","4","1","","Zhang, Pengrong; Brkic, Zinka; Berg, David J.; Mitchell, Reginald H.; Oliver, Allen G.","Cobalt Complexes Containing Dimethyldihydropyrene-Substituted Cyclobutadiene Ligands","Organometallics","2011","30","20","5396","","10.1021/om200575t","","","0.71073","MoKα","","0.1202","0.0621","","","0.1513","0.1854","","","","","","1.016","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065129","11.6975","0.0006","13.7749","0.0006","16.2886","0.0008","87.532","0.002","76.013","0.003","80.364","0.002","2510.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C63 H73 Co -","- C62.43 H72.31 Co1.034 -","- C124.86 H144.62 Co2.068 -","2","1","","Zhang, Pengrong; Brkic, Zinka; Berg, David J.; Mitchell, Reginald H.; Oliver, Allen G.","Cobalt Complexes Containing Dimethyldihydropyrene-Substituted Cyclobutadiene Ligands","Organometallics","2011","30","20","5396","","10.1021/om200575t","","","0.71073","MoKα","","0.1058","0.076","","","0.1922","0.2115","","","","","","1.08","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065130","16.4057","0.0007","19.7682","0.0009","17.2878","0.0007","90","","105.374","0.001","90","","5406","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[PtH(SiH2Trip)(dcpe)_ 3 (C4H8O)","[PtH(SiH2Trip)(dcpe)_ 3 (C4H8O)","","- C58 H88 O3 P2 Pd Si -","- C58 H88 O3 P2 Pd Si -","- C232 H352 O12 P8 Pd4 Si4 -","4","1","","Nakata, Norio; Fukazawa, Shun; Kato, Nanami; Ishii, Akihiko","Palladium(II) Hydrido Complexes Having a Primary Silyl or Germyl Ligand: Synthesis, Crystal Structures, and Dynamic Behavior","Organometallics","2011","30","17","4490","","10.1021/om200576f","","","0.71073","MoKα","","0.077","0.069","","","0.1538","0.1583","","","","","","1.025","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065131","16.4583","0.0011","19.8712","0.0013","17.2632","0.0012","90","","105.531","0.001","90","","5439.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[PtH(GeH2Trip)(dcpe)_ 3 (C4H8O)","[PtH(GeH2Trip)(dcpe)_ 3 (C4H8O)","","- C58 H88 Ge O3 P2 Pd -","- C58 H88 Ge O3 P2 Pd -","- C232 H352 Ge4 O12 P8 Pd4 -","4","1","","Nakata, Norio; Fukazawa, Shun; Kato, Nanami; Ishii, Akihiko","Palladium(II) Hydrido Complexes Having a Primary Silyl or Germyl Ligand: Synthesis, Crystal Structures, and Dynamic Behavior","Organometallics","2011","30","17","4490","","10.1021/om200576f","","","0.71073","MoKα","","0.0533","0.045","","","0.111","0.1166","","","","","","1.04","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065132","8.6348","0.0002","18.6822","0.0005","8.9345","0.0002","90","","99.702","0.001","90","","1420.67","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cr P2 -","- C36 H30 Cr P2 -","- C72 H60 Cr2 P4 -","2","0.5","","Braunschweig, Holger; Drisch, Michael; Friedrich, Maria; Kupfer, Thomas; Radacki, Krzysztof","Metal-Enriched [3]Trochrocenophanes: Bimetallic Metalloarenophanes by Coordination to Chelating Bis(phosphanyls)","Organometallics","2011","30","19","5202","","10.1021/om200577b","","","0.71073","MoKα","","0.0559","0.049","","","0.1099","0.1122","","","","","","1.207","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065133","14.067","0.003","19.872","0.004","11.342","0.002","90","","91.392","0.008","90","","3169.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cr P2 -","- C36 H54 Cr P2 -","- C144 H216 Cr4 P8 -","4","1","","Braunschweig, Holger; Drisch, Michael; Friedrich, Maria; Kupfer, Thomas; Radacki, Krzysztof","Metal-Enriched [3]Trochrocenophanes: Bimetallic Metalloarenophanes by Coordination to Chelating Bis(phosphanyls)","Organometallics","2011","30","19","5202","","10.1021/om200577b","","","0.71073","MoKα","","0.0434","0.0374","","","0.0895","0.0947","","","","","","1.093","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065134","10.4357","0.0006","10.9398","0.0007","17.5197","0.0011","82.997","0.003","78.777","0.003","84.337","0.003","1941.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Cr2 O5 P2 -","- C44 H38 Cr2 O5 P2 -","- C88 H76 Cr4 O10 P4 -","2","1","","Braunschweig, Holger; Drisch, Michael; Friedrich, Maria; Kupfer, Thomas; Radacki, Krzysztof","Metal-Enriched [3]Trochrocenophanes: Bimetallic Metalloarenophanes by Coordination to Chelating Bis(phosphanyls)","Organometallics","2011","30","19","5202","","10.1021/om200577b","","","0.71073","MoKα","","0.0685","0.0552","","","0.1582","0.1686","","","","","","1.031","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065135","10.537","0.002","10.998","0.002","17.697","0.004","82.334","0.009","78.593","0.009","85.707","0.008","1989.9","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Cr Mo O4 P2 -","- C40 H30 Cr Mo O4 P2 -","- C80 H60 Cr2 Mo2 O8 P4 -","2","1","","Braunschweig, Holger; Drisch, Michael; Friedrich, Maria; Kupfer, Thomas; Radacki, Krzysztof","Metal-Enriched [3]Trochrocenophanes: Bimetallic Metalloarenophanes by Coordination to Chelating Bis(phosphanyls)","Organometallics","2011","30","19","5202","","10.1021/om200577b","","","0.71073","MoKα","","0.0223","0.0204","","","0.057","0.0584","","","","","","1.06","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065136","10.5147","0.0016","11.0026","0.0015","17.662","0.003","82.539","0.006","78.703","0.007","85.626","0.006","1984","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Cr O4 P2 W -","- C40 H30 Cr O4 P2 W -","- C80 H60 Cr2 O8 P4 W2 -","2","1","","Braunschweig, Holger; Drisch, Michael; Friedrich, Maria; Kupfer, Thomas; Radacki, Krzysztof","Metal-Enriched [3]Trochrocenophanes: Bimetallic Metalloarenophanes by Coordination to Chelating Bis(phosphanyls)","Organometallics","2011","30","19","5202","","10.1021/om200577b","","","0.71073","MoKα","","0.0192","0.0176","","","0.0466","0.0475","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065137","10.7619","0.0008","14.9029","0.0011","15.0545","0.0011","84.561","0.004","76.001","0.004","73.667","0.004","2247.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C101 H132 Cr4 O8 P4 -","- C101 H132 Cr4 O8 P4 -","- C101 H132 Cr4 O8 P4 -","1","0.5","","Braunschweig, Holger; Drisch, Michael; Friedrich, Maria; Kupfer, Thomas; Radacki, Krzysztof","Metal-Enriched [3]Trochrocenophanes: Bimetallic Metalloarenophanes by Coordination to Chelating Bis(phosphanyls)","Organometallics","2011","30","19","5202","","10.1021/om200577b","","","0.71073","MoKα","","0.0926","0.0534","","","0.1153","0.1345","","","","","","1.073","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065138","11.618","0.001","23.403","0.001","16.266","0.001","90","","91.091","0.001","90","","4421.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H57 Cl N2 P Rh -","- C52 H57 Cl N2 P Rh -","- C208 H228 Cl4 N8 P4 Rh4 -","4","1","","Palacios, Laura; Miao, Xiaowei; Di Giuseppe, Andrea; Pascal, Simon; Cunchillos, Carmen; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Lahoz, Fernando J.; Dixneuf, Pierre H.; Oro, Luis A.","Synthesis of a Square-Planar Rhodium Alkylidene N-Heterocyclic Carbene Complex and Its Reactivity Toward Alkenes","Organometallics","2011","30","19","5208","","10.1021/om2005782","","","0.7378","","","0.0591","0.0542","","","0.1494","0.1543","","","","","","1.088","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065139","16.368","0.005","12.22","0.002","17.633","0.007","90","","97.446","0.004","90","","3497.2","1.8","93","2","93","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C74 H96 N4 O2.5 Pd2 -","- C74 H92 N4 O2.5 Pd2 -","- C148 H184 N8 O5 Pd4 -","2","0.5","","Egbert, Jonathan D.; Chartoire, Anthony; Slawin, Alexandra M. Z.; Nolan, Steven P.","Synthesis, Characterization, and Reactivity of N-Heterocyclic Carbene Palladium(II) Hydroxide Dimers","Organometallics","2011","30","17","4494","","10.1021/om200579h","","","0.71073","MoKα","","0.059","0.0481","","","0.1036","0.1151","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065140","22.582","0.012","12.258","0.005","16.303","0.007","90","","128.968","0.008","90","","3509","3","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H95.6 Cl0.4 N4 O1.6 Pd2 -","- C72 H95.6 Cl0.4 N4 O1.6 Pd2 -","- C144 H191.2 Cl0.8 N8 O3.2 Pd4 -","2","0.5","","Egbert, Jonathan D.; Chartoire, Anthony; Slawin, Alexandra M. Z.; Nolan, Steven P.","Synthesis, Characterization, and Reactivity of N-Heterocyclic Carbene Palladium(II) Hydroxide Dimers","Organometallics","2011","30","17","4494","","10.1021/om200579h","","","0.71073","MoKα","","0.0812","0.0626","","","0.1583","0.1738","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065141","12.994","0.003","14.509","0.003","18.537","0.004","90","","105.2","0.03","90","","3372.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl2 O9 P2 Pd -","- C32 H32 Cl2 O9 P2 Pd -","- C128 H128 Cl8 O36 P8 Pd4 -","4","1","","Sheff, Justin T.; Lucius, Aaron L.; Owens, Sam B.; Gray, Gary M.","Generally Applicable NMR Titration Methods for the Determination of Equilibrium Constants for Coordination Complexes: Syntheses and Characterizations of Metallacrown Ethers with α,ω-Bis(phosphite)-polyether Ligands and Determination of Equilibrium Binding Constants to Li+","Organometallics","2011","30","21","5695","","10.1021/om200580t","","","0.71073","MoKα","","0.0432","0.035","","","0.0891","0.093","","","","","","1.126","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065142","8.338","0.0011","11.62","0.0017","12.1537","0.0018","100.399","0.004","93.38","0.004","91.285","0.004","1155.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H50 P2 Zn2 -","- C56 H50 P2 Zn2 -","- C56 H50 P2 Zn2 -","1","0.5","","Wilson, Erin E.; Oliver, Allen G.; Hughes, Russell P.; Ashfeld, Brandon L.","Synthesis of Phosphine-Ligated Zinc Acetylide Dimers: Enhanced Reactivity in Carbonyl Additions","Organometallics","2011","30","19","5214","","10.1021/om200581f","","","0.71073","MoKα","","0.0647","0.0391","","","0.0757","0.0842","","","","","","1.018","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065143","16.058","0.003","45.201","0.007","5.7359","0.0009","90","","90","","90","","4163.3","1.2","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H26 O2 Zn -","- C24 H26 O2 Zn -","- C192 H208 O16 Zn8 -","8","0.5","","Wilson, Erin E.; Oliver, Allen G.; Hughes, Russell P.; Ashfeld, Brandon L.","Synthesis of Phosphine-Ligated Zinc Acetylide Dimers: Enhanced Reactivity in Carbonyl Additions","Organometallics","2011","30","19","5214","","10.1021/om200581f","","","0.71073","MoKα","","0.04","0.0297","","","0.0647","0.0683","","","","","","1.036","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065144","18.9405","0.0011","8.6971","0.0005","17.7071","0.0011","90","","90","","90","","2916.8","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C24 H43 B2 F4 N6 Os P -","- C24 H43 B2 F4 N6 Os P -","- C96 H172 B8 F16 N24 Os4 P4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Reactions of an Osmium Bis(dihydrogen) Complex under Ethylene: Phosphine Addition to a C‒C Double Bond and C‒H Bond Activation of Fluoroarenes","Organometallics","2011","30","21","5710","","10.1021/om2005854","","","0.71073","MoKα","","0.0574","0.0449","","","0.1071","0.1139","","","","","","1.161","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065145","8.7811","0.0004","18.3167","0.0008","18.741","0.0009","90","","101.68","0.001","90","","2951.9","0.2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C22.85 H41 B2 Cl1.7 F4 N6 O0.15 Os P -","- C22.85 H41 B2 Cl1.7 F4 N6 O0.15 Os P -","- C91.4 H164 B8 Cl6.8 F16 N24 O0.6 Os4 P4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Reactions of an Osmium Bis(dihydrogen) Complex under Ethylene: Phosphine Addition to a C‒C Double Bond and C‒H Bond Activation of Fluoroarenes","Organometallics","2011","30","21","5710","","10.1021/om2005854","","","0.71073","MoKα","","0.0385","0.0294","","","0.0749","0.0855","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065146","9.8598","0.0012","17.856","0.002","17.272","0.002","90","","106.098","0.002","90","","2921.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Mg N4 Si2 -","- C24 H54 Mg N4 Si2 -","- C96 H216 Mg4 N16 Si8 -","4","1","","Colquhoun, Victoria P.; Abele, Bors C.; Strohmann, Carsten","Control of N- or C-Bridging Mode in Dimeric Butylmagnesium Silylamides","Organometallics","2011","30","20","5408","","10.1021/om200587n","","","0.71073","MoKα","","0.0769","0.0521","","","0.117","0.1319","","","","","","1.069","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065147","16.189","0.004","10.5506","0.0013","16.739","0.003","90","","101.37","0.02","90","","2803","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Mg N4 Si2 -","- C22 H50 Mg N4 Si2 -","- C88 H200 Mg4 N16 Si8 -","4","1","","Colquhoun, Victoria P.; Abele, Bors C.; Strohmann, Carsten","Control of N- or C-Bridging Mode in Dimeric Butylmagnesium Silylamides","Organometallics","2011","30","20","5408","","10.1021/om200587n","","","0.71073","MoKα","","0.056","0.0519","","","0.1419","0.1464","","","","","","1.054","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065148","15.5428","0.0006","10.1316","0.0004","20.2967","0.001","90","","102.192","0.004","90","","3124.1","0.2","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H58 Mg N4 Si2 -","- C28 H58 Mg N4 Si2 -","- C112 H232 Mg4 N16 Si8 -","4","1","","Colquhoun, Victoria P.; Abele, Bors C.; Strohmann, Carsten","Control of N- or C-Bridging Mode in Dimeric Butylmagnesium Silylamides","Organometallics","2011","30","20","5408","","10.1021/om200587n","","","0.71073","MoKα","","0.0815","0.0412","","","0.0855","0.0892","","","","","","1.025","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065149","9.121","0.002","10.235","0.002","10.943","0.002","97.28","0.04","102.2","0.04","92.947","0.004","987.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Mg2 N4 Si2 -","- C32 H72 Mg2 N4 Si2 -","- C32 H72 Mg2 N4 Si2 -","1","0.5","","Colquhoun, Victoria P.; Abele, Bors C.; Strohmann, Carsten","Control of N- or C-Bridging Mode in Dimeric Butylmagnesium Silylamides","Organometallics","2011","30","20","5408","","10.1021/om200587n","","","0.71073","MoKα","","0.0656","0.0507","","","0.1302","0.1436","","","","","","1.02","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065150","8.5742","0.0014","10.2417","0.0017","10.796","0.0018","83.09","0.003","88.234","0.003","74.707","0.003","907.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H68 Mg2 N4 Si2 -","- C30 H68 Mg2 N4 Si2 -","- C30 H68 Mg2 N4 Si2 -","1","0.5","","Colquhoun, Victoria P.; Abele, Bors C.; Strohmann, Carsten","Control of N- or C-Bridging Mode in Dimeric Butylmagnesium Silylamides","Organometallics","2011","30","20","5408","","10.1021/om200587n","","","0.71073","MoKα","","0.0629","0.0505","","","0.1322","0.144","","","","","","1.043","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065151","8.5008","0.0004","12.3583","0.0006","10.4088","0.0005","90","","98.234","0.001","90","","1082.23","0.09","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 F12 N4 P2 -","- C16 H20 F12 N4 P2 -","- C32 H40 F24 N8 P4 -","2","0.5","","Rit, Arnab; Pape, Tania; Hahn, F. Ekkehardt","Polynuclear Architectures with Di- and Tricarbene Ligands","Organometallics","2011","30","23","6393","","10.1021/om200591d","","","0.71073","MoKα","","0.0572","0.0524","","","0.1468","0.1521","","","","","","1.069","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065152","30.443","0.002","18.8901","0.0015","29.089","0.002","90","","90","","90","","16728","2","153","2","153","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C104 H120 F72 Hg6 N34 P12 -","- C104 H120 F72 Hg6 N34 P12 -","- C416 H480 F288 Hg24 N136 P48 -","4","0.5","","Rit, Arnab; Pape, Tania; Hahn, F. Ekkehardt","Polynuclear Architectures with Di- and Tricarbene Ligands","Organometallics","2011","30","23","6393","","10.1021/om200591d","","","0.71073","MoKα","","0.0697","0.0533","","","0.1429","0.1551","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065153","11.4827","0.001","11.7727","0.001","15.0753","0.0013","80.177","0.001","72.318","0.001","84.076","0.001","1910.3","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Au2 F12 N8 P2 -","- C32 H36 Au2 F12 N8 P2 -","- C64 H72 Au4 F24 N16 P4 -","2","1","","Rit, Arnab; Pape, Tania; Hahn, F. Ekkehardt","Polynuclear Architectures with Di- and Tricarbene Ligands","Organometallics","2011","30","23","6393","","10.1021/om200591d","","","0.71073","MoKα","","0.0755","0.0425","","","0.0972","0.1112","","","","","","1.022","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065154","17.5961","0.0008","13.4202","0.0006","14.5061","0.0007","90","","104.902","0.001","90","","3310.3","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H55 F24 Hg4 N8 O11 P4 -","- C43 H54 F24 Hg4 N8 O11 P4 -","- C86 H108 F48 Hg8 N16 O22 P8 -","2","0.5","","Rit, Arnab; Pape, Tania; Hahn, F. Ekkehardt","Polynuclear Architectures with Di- and Tricarbene Ligands","Organometallics","2011","30","23","6393","","10.1021/om200591d","","","0.71073","MoKα","","0.0776","0.0499","","","0.1336","0.1518","","","","","","1.038","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065155","15.3318","0.0005","17.5972","0.0005","19.1755","0.0006","69.011","0.002","88.52","0.002","80.585","0.002","4762.1","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H24 Cl2 O20 Os6 P2 -","- C105 H24 Cl2 O20 Os6 P2 -","- C210 H48 Cl4 O40 Os12 P4 -","2","1","","Wu, Yi-Ying; Yeh, Wen-Yann","Synthesis of the Diphosphino‒Fullerene 1,2,4,15-(PPh2)2(H)2C60and Its Complexation with Triosmium Carbonyl Clusters","Organometallics","2011","30","17","4792","","10.1021/om200593y","","","0.71073","MoKα","","0.042","0.0334","","","0.1014","0.1054","","","","","","1.068","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065156","12.541","0.002","15.314","0.003","15.131","0.003","90","","111.85","0.03","90","","2697.2","1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H48 B N P2 Ru -","- C23 H48 B N P2 Ru -","- C92 H192 B4 N4 P8 Ru4 -","4","2","","Zhang, Jing; Balaraman, Ekambaram; Leitus, Gregory; Milstein, David","Electron-Rich PNP- and PNN-Type Ruthenium(II) Hydrido Borohydride Pincer Complexes. Synthesis, Structure, and Catalytic Dehydrogenation of Alcohols and Hydrogenation of Esters","Organometallics","2011","30","21","5716","","10.1021/om200595m","","","0.71073","MoKα","","0.0364","0.0325","","","0.0742","0.0764","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065157","17.948","0.004","26.404","0.005","42.901","0.009","90","","90","","90","","20331","7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H86 N4 Si3 W -","- C41 H86 N4 Si3 W -","- C656 H1376 N64 Si48 W16 -","16","2","","Schafer, Daniel F.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Reactivity Studies of (tBu3SiNH)(tBu3SiN═)2WH Including Anionic Derivatives Featuring the Tris-tri-tert-butylsilylimide Tungsten Core","Organometallics","2011","30","24","6539","","10.1021/om200597z","","","0.91","","","0.0674","0.0651","","0.1919","0.1861","","","","1.006","1.012","1.012","","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065158","13.2546","0.0002","22.0167","0.0001","20.8776","0.0003","90","","95.607","0.001","90","","6063.4","0.13","165","1","165","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H111 K N3 O3 Si3 W -","- C48 H111 K N3 O3 Si3 W -","- C192 H444 K4 N12 O12 Si12 W4 -","4","1","","Schafer, Daniel F.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Reactivity Studies of (tBu3SiNH)(tBu3SiN═)2WH Including Anionic Derivatives Featuring the Tris-tri-tert-butylsilylimide Tungsten Core","Organometallics","2011","30","24","6539","","10.1021/om200597z","","","0.71073","MoKα","","0.0788","0.0427","","0.1685","0.1331","","","","1.045","1.062","1.062","","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065159","12.168","0.002","17.08","0.003","18.459","0.004","88.37","0.03","88.41","0.03","69.99","0.03","3602.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H128 K N5 O6.5 Si3 W -","- C56 H118 K N5 O6.5 Si3 W -","- C112 H236 K2 N10 O13 Si6 W2 -","2","1","","Schafer, Daniel F.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Reactivity Studies of (tBu3SiNH)(tBu3SiN═)2WH Including Anionic Derivatives Featuring the Tris-tri-tert-butylsilylimide Tungsten Core","Organometallics","2011","30","24","6539","","10.1021/om200597z","","","0.71073","MoKα","","0.0909","0.0519","","0.182","0.1285","","","","1.079","1.095","1.095","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065160","12.941","0.001","13.103","0.001","16.293","0.001","70.85","0.04","71.47","0.04","62.55","0.03","2269.8","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H82 K N3 Si3 W -","- C36 H82 K N3 Si3 W -","- C72 H164 K2 N6 Si6 W2 -","2","1","","Schafer, Daniel F.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Reactivity Studies of (tBu3SiNH)(tBu3SiN═)2WH Including Anionic Derivatives Featuring the Tris-tri-tert-butylsilylimide Tungsten Core","Organometallics","2011","30","24","6539","","10.1021/om200597z","","","0.71073","MoKα","","0.0671","0.0581","","0.1661","0.15","","","","1.041","1.037","1.037","","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065161","19.065","0.004","20.937","0.004","23.744","0.005","67.569","0.005","66.668","0.007","63.299","0.006","7531","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H245 Ar3 I3 N9 Si9 W3 -","- C111 H245 Ar3 I3 N9 Si9 W3 -","- C222 H490 Ar6 I6 N18 Si18 W6 -","2","1","","Schafer, Daniel F.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Reactivity Studies of (tBu3SiNH)(tBu3SiN═)2WH Including Anionic Derivatives Featuring the Tris-tri-tert-butylsilylimide Tungsten Core","Organometallics","2011","30","24","6539","","10.1021/om200597z","","","0.71073","MoKα","","0.1771","0.1055","","0.2705","0.2398","","","","1.088","1.418","1.418","","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065162","11.9824","0.0003","11.946","0.0003","13.8199","0.0003","90","","115.382","0.001","90","","1787.25","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Au Cl N O -","- C17 H29 Au Cl N O -","- C68 H116 Au4 Cl4 N4 O4 -","4","1","","Seo, Hwimin; Snead, David R.; Abboud, Khalil A.; Hong, Sukwon","Bulky Acyclic Aminooxycarbene Ligands","Organometallics","2011","30","21","5725","","10.1021/om200602k","","","0.71073","MoKα","","0.0135","0.0131","","","0.0337","0.0339","","","","","","1.184","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065163","27.294","0.002","16.07","0.002","12.6064","0.0014","90","","109.94","0.003","90","","5197.9","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Au Cl N O -","- C27 H35 Au Cl N O -","- C216 H280 Au8 Cl8 N8 O8 -","8","1","","Seo, Hwimin; Snead, David R.; Abboud, Khalil A.; Hong, Sukwon","Bulky Acyclic Aminooxycarbene Ligands","Organometallics","2011","30","21","5725","","10.1021/om200602k","","","0.71073","MoKα","","0.0173","0.0158","","","0.0417","0.042","","","","","","1.074","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065164","18.145","0.006","15.033","0.005","19.006","0.006","90","","90","","90","","5184","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H39 Au Cl N O -","- C26 H39 Au Cl N O -","- C208 H312 Au8 Cl8 N8 O8 -","8","1","","Seo, Hwimin; Snead, David R.; Abboud, Khalil A.; Hong, Sukwon","Bulky Acyclic Aminooxycarbene Ligands","Organometallics","2011","30","21","5725","","10.1021/om200602k","","","0.71073","MoKα","","0.0331","0.0251","","","0.0658","0.0694","","","","","","1.156","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065165","11.2597","0.0008","15.3429","0.0012","17.7","0.0013","74.962","0.003","88.987","0.003","82.463","0.003","2927.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H45 Au Cl N O -","- C31 H45 Au Cl N O -","- C124 H180 Au4 Cl4 N4 O4 -","4","2","","Seo, Hwimin; Snead, David R.; Abboud, Khalil A.; Hong, Sukwon","Bulky Acyclic Aminooxycarbene Ligands","Organometallics","2011","30","21","5725","","10.1021/om200602k","","","0.71073","MoKα","","0.021","0.0186","","","0.0475","0.0481","","","","","","1.039","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065166","12.96","0.0006","12.4731","0.0006","17.5801","0.0009","90","","98.467","0.001","90","","2810.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 Au Cl N O -","- C31 H41 Au Cl N O -","- C124 H164 Au4 Cl4 N4 O4 -","4","1","","Seo, Hwimin; Snead, David R.; Abboud, Khalil A.; Hong, Sukwon","Bulky Acyclic Aminooxycarbene Ligands","Organometallics","2011","30","21","5725","","10.1021/om200602k","","","0.71073","MoKα","","0.0122","0.0114","","","0.0295","0.0299","","","","","","1.045","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065167","19.543","0.002","9.079","0.001","20.569","0.002","90","","111.99","0.01","90","","3384.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F12 Fe N2 O2 P2 -","- C31 H36 F12 Fe N2 O2 P2 -","- C124 H144 F48 Fe4 N8 O8 P8 -","4","1","","Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Asselberghs, Inge; Clays, Koen; Van Cleuvenbergen, Stijn; Brunschwig, Bruce S.","Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity","Organometallics","2011","30","21","5731","","10.1021/om200604f","","","0.71073","MoKα","","0.0901","0.0433","","","0.0795","0.0862","","","","","","0.816","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065168","9.535","0.001","13.158","0.001","15.33","0.001","78.561","0.008","72.432","0.009","73.01","0.008","1740.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H76 F24 Fe2 N4 O4 P4 -","- C64 H76 F24 Fe2 N4 O4 P4 -","- C64 H76 F24 Fe2 N4 O4 P4 -","1","0.5","","Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Asselberghs, Inge; Clays, Koen; Van Cleuvenbergen, Stijn; Brunschwig, Bruce S.","Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity","Organometallics","2011","30","21","5731","","10.1021/om200604f","","","0.71069","MoKα","","0.1177","0.0507","","","0.0898","0.1009","","","","","","0.84","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065169","30.31","0.004","9.5057","0.0007","17.0926","0.001","90","","109.318","0.003","90","","4647.4","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H50 F12 Fe2 N2 O3 P2 -","- C45 H44 F12 Fe2 N2 O3 P2 -","- C180 H176 F48 Fe8 N8 O12 P8 -","4","0.5","","Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Asselberghs, Inge; Clays, Koen; Van Cleuvenbergen, Stijn; Brunschwig, Bruce S.","Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity","Organometallics","2011","30","21","5731","","10.1021/om200604f","","","0.71073","MoKα","","0.1367","0.0864","","","0.1851","0.2097","","","","","","1.08","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065170","10.011","0.001","14.438","0.002","16.104","0.002","73.48","0.01","84.16","0.01","70.41","0.01","2102.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41 F12 Fe2 N5 P2 -","- C42 H41 F12 Fe2 N5 P2 -","- C84 H82 F24 Fe4 N10 P4 -","2","1","","Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Asselberghs, Inge; Clays, Koen; Van Cleuvenbergen, Stijn; Brunschwig, Bruce S.","Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity","Organometallics","2011","30","21","5731","","10.1021/om200604f","","","0.71073","MoKα","","0.1895","0.0969","","","0.2305","0.286","","","","","","1.007","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065171","17.1942","0.0012","20.923","0.002","9.6941","0.0008","90","","90","","90","","3487.5","0.5","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C37 H34 F12 Fe2 N2 P2 -","- C37 H34 F12 Fe2 N2 P2 -","- C148 H136 F48 Fe8 N8 P8 -","4","","","Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Asselberghs, Inge; Clays, Koen; Van Cleuvenbergen, Stijn; Brunschwig, Bruce S.","Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity","Organometallics","2011","30","21","5731","","10.1021/om200604f","","","0.71073","MoKα","","0.0828","0.0542","","","0.1149","0.1216","","","","","","0.911","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065172","22.2573","0.0018","9.4309","0.0007","18.2553","0.0014","90","","112.69","0.002","90","","3535.3","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 F9 Fe2 N2 O3 P S -","- C38 H34 F9 Fe2 N2 O3 P S -","- C152 H136 F36 Fe8 N8 O12 P4 S4 -","4","0.5","","Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Asselberghs, Inge; Clays, Koen; Van Cleuvenbergen, Stijn; Brunschwig, Bruce S.","Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity","Organometallics","2011","30","21","5731","","10.1021/om200604f","","","0.7749","synchrotron","","0.0593","0.0378","","","0.0889","0.098","","","","","","1.015","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065173","7.7041","0.0004","12.7152","0.0006","21.2214","0.0011","90","","98.583","0.005","90","","2055.55","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 I2 N4 -","- C18 H24 I2 N4 -","- C72 H96 I8 N16 -","4","1","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.0396","0.0276","","","0.0559","0.0585","","","","","","0.942","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065174","9.2074","0.0014","14.5484","0.0017","14.4725","0.0018","90","","107.546","0.015","90","","1848.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Fe I2 N4 -","- C13 H20 Fe I2 N4 -","- C52 H80 Fe4 I8 N16 -","4","1","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.0836","0.0445","","","0.088","0.0936","","","","","","0.828","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065175","12.7852","0.0003","14.1136","0.0003","18.2078","0.0003","90","","90","","90","","3285.51","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Fe I2 N4 -","- C31 H40 Fe I2 N4 -","- C124 H160 Fe4 I8 N16 -","4","1","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.0383","0.0268","","","0.0485","0.0499","","","","","","0.881","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065176","12.769","0.005","16.965","0.005","14.683","0.005","90","0.005","90","0.005","90","0.005","3180.7","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Br2 Fe N4 -","- C31 H40 Br2 Fe N4 -","- C124 H160 Br8 Fe4 N16 -","4","1","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.0866","0.0589","","","0.1411","0.1552","","","","","","0.958","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065177","21.0099","0.001","25.8677","0.0016","17.7139","0.0009","90","","90","","90","","9627.1","0.9","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C41 H51.5 Fe I2 N10.5 -","- C41 H51.5 Fe I2 N10.5 -","- C328 H412 Fe8 I16 N84 -","8","","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.1031","0.0458","","","0.1063","0.121","","","","","","0.895","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065178","33.574","0.008","12.2609","0.001","23.357","0.006","90","","130.27","0.04","90","","7336","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 I N4 -","- C15 H15 I N4 -","- C240 H240 I16 N64 -","16","2","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.1201","0.0682","","","0.1907","0.2135","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065179","12.7218","0.0014","18.5715","0.0014","14.624","0.002","90","","107.732","0.013","90","","3291","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Fe I N4 S -","- C32 H43 Fe I N4 S -","- C128 H172 Fe4 I4 N16 S4 -","4","1","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.1983","0.1206","","","0.2891","0.3482","","","","","","1.079","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065180","12.8982","0.0012","14.8492","0.0014","21.869","0.002","90","","90","","90","","4188.5","0.7","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H41 Br O P2 Pd S -","- C49 H41 Br O P2 Pd S -","- C196 H164 Br4 O4 P8 Pd4 S4 -","4","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.0337","0.0253","","","0.0574","0.06","","","","","","1.022","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065181","12.962","0.0014","14.5561","0.0014","21.838","0.002","90","","90","","90","","4120.3","0.7","133","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H38 Br N O2 P2 Pd S -","- C48 H38 Br N O2 P2 Pd S -","- C192 H152 Br4 N4 O8 P8 Pd4 S4 -","4","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.041","0.0282","","","0.0456","0.0478","","","","","","0.932","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065182","10.8871","0.0012","17.038","0.002","14.922","0.002","90","","97.992","0.004","90","","2741.1","0.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 F3 O3 P S2 -","- C31 H24 F3 O3 P S2 -","- C124 H96 F12 O12 P4 S8 -","4","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.0539","0.0373","","","0.0973","0.1034","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065183","18.203","0.003","15.41","0.003","22.325","0.004","90","","105.56","0.03","90","","6033","2","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H64 Br2 Cl2 P2 Pd2 S2 -","- C67 H50 Br2 Cl2 P2 Pd2 S2 -","- C268 H200 Br8 Cl8 P8 Pd8 S8 -","4","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.089","0.049","","","0.1249","0.1394","","","","","","0.982","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065184","14.505","0.002","17.404","0.003","18.296","0.003","69.526","0.005","88.976","0.005","82.322","0.005","4286.1","1.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C94.5 H81 Cl3 I2 P4 Pd2 S2 -","- C94.5 H81 Cl3 I2 P4 Pd2 S2 -","- C189 H162 Cl6 I4 P8 Pd4 S4 -","2","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.1152","0.0643","","","0.1336","0.1503","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065185","12.8797","0.0015","15.2802","0.0015","21.356","0.003","90","","95.79","0.02","90","","4181.5","0.9","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H45 Br N4 Pd S -","- C48 H45 Br N4 Pd S -","- C192 H180 Br4 N16 Pd4 S4 -","4","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.0605","0.0374","","","0.0974","0.1039","","","","","","1.036","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065186","13.2572","0.0014","14.1029","0.0014","14.1107","0.0014","112.513","0.004","115.224","0.004","91.839","0.004","2143.7","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H47 Br N4 O Pd S -","- C49 H47 Br N4 O Pd S -","- C98 H94 Br2 N8 O2 Pd2 S2 -","2","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.0591","0.0343","","","0.0634","0.0686","","","","","","0.898","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065187","11.7151","0.0006","12.2861","0.0008","16.9683","0.0011","104.251","0.004","91.167","0.004","108.462","0.004","2232.4","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H45 F3 N4 O3 Pd S2 -","- C49 H45 F3 N4 O3 Pd S2 -","- C98 H90 F6 N8 O6 Pd2 S4 -","2","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.0484","0.0314","","","0.0656","0.0699","","","","","","0.974","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065188","14.6913","0.0011","10.4189","0.0008","29.827","0.002","90","","103.535","0.004","90","","4438.7","0.6","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 F3 N2 O3 P Pd S2 -","- C49 H42 F3 N2 O3 P Pd S2 -","- C196 H168 F12 N8 O12 P4 Pd4 S8 -","4","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.0546","0.0305","","","0.0694","0.0767","","","","","","0.964","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065189","10.0675","0.0006","10.6815","0.0006","19.9274","0.0012","99.712","0.004","92.707","0.004","105.616","0.004","2024.5","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H42 F3 N3 O4 Pd S2 -","- C43 H42 F3 N3 O4 Pd S2 -","- C86 H84 F6 N6 O8 Pd2 S4 -","2","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.0559","0.0358","","","0.0761","0.0841","","","","","","1.032","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065190","9.703","0.003","12.938","0.005","17.146","0.006","93.428","0.007","105.703","0.006","102.11","0.006","2010.4","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H54 Cl2 Si Zr -","- C47 H54 Cl2 Si Zr -","- C94 H108 Cl4 Si2 Zr2 -","2","1","","Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Okumura, Yoshikuni; Elder, Michael; Churakov, Andrei V.","Asymmetricansa-Zirconocenes Containing a 2-Methyl-4-aryltetrahydroindacene Fragment: Synthesis, Structure, and Catalytic Activity in Propylene Polymerization and Copolymerization","Organometallics","2011","30","21","5744","","10.1021/om200610b","","","0.71073","MoKα","","0.107","0.0628","","","0.1304","0.1444","","","","","","0.924","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065191","11.8162","0.0013","13.8657","0.0016","14.487","0.002","106.638","0.01","93.975","0.011","99.747","0.007","2223.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H57 B2 N12 O3 U -","- C43 H57 B2 N12 O3 U -","- C86 H114 B4 N24 O6 U2 -","2","1","","Matson, Ellen M.; Fanwick, Phillip E.; Bart, Suzanne C.","Formation of Trivalent U‒C, U‒N, and U‒S Bonds and Their Reactivity toward Carbon Dioxide and Acetone","Organometallics","2011","30","21","5753","","10.1021/om200612h","","","1.54184","CU-Kα","","0.073","0.065","","","0.176","0.183","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065192","10.726","0.0004","19.676","0.0006","22.8275","0.0009","101.936","0.004","103.289","0.003","90.589","0.003","4578.8","0.3","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H53 B2 N12 S U -","- C39.5 H53 B2 N12 S U -","- C158 H212 B8 N48 S4 U4 -","4","2","","Matson, Ellen M.; Fanwick, Phillip E.; Bart, Suzanne C.","Formation of Trivalent U–C, U–N, and U–S Bonds and Their Reactivity toward Carbon Dioxide and Acetone","Organometallics","2011","30","21","5753","","10.1021/om200612h","","","1.54184","CU-Kα","","0.045","0.042","","","0.118","0.121","","","","","","1.094","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4065193","16.003","0.0011","12.8103","0.001","42.958","0.002","90","","94.874","0.003","90","","8774.7","1","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 B2 N12 O U -","- C33 H49 B2 N12 O U -","- C264 H392 B16 N96 O8 U8 -","8","2","","Matson, Ellen M.; Fanwick, Phillip E.; Bart, Suzanne C.","Formation of Trivalent U–C, U–N, and U–S Bonds and Their Reactivity toward Carbon Dioxide and Acetone","Organometallics","2011","30","21","5753","","10.1021/om200612h","","","1.54184","CU-Kα","","0.076","0.065","","","0.177","0.185","","","","","","1.028","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4065194","11.5978","0.001","11.6039","0.0005","15.1989","0.0007","98.745","0.004","94.489","0.005","99.872","0.006","1980.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H49 B2 N12 U -","- C38 H49 B2 N12 U -","- C76 H98 B4 N24 U2 -","2","1","","Matson, Ellen M.; Fanwick, Phillip E.; Bart, Suzanne C.","Formation of Trivalent U‒C, U‒N, and U‒S Bonds and Their Reactivity toward Carbon Dioxide and Acetone","Organometallics","2011","30","21","5753","","10.1021/om200612h","","","1.54184","CU-Kα","","0.042","0.041","","","0.116","0.117","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065195","7.6821","0.0015","10.452","0.002","10.92","0.002","69.53","0.03","76.91","0.03","81.67","0.03","798","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","","Zhou, Yiqing; Wang, Yuxing; Xi, Chanjuan","Copper-Mediated Reaction of Oxazirconacyclopentenes with But-2-ynedioates: A New Pathway for the Formation of α-Methylene-δ-lactone Derivatives","Organometallics","2011","30","19","5077","","10.1021/om2006134","","","0.71073","MoKα","","","0.0498","","","0.1272","0.129","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065196","9.912","0.0002","14.324","0.0004","34.6778","0.0008","90","","90","","90","","4923.5","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C55 H14 B2 F30 -","- C55 H14 B2 F30 -","- C220 H56 B8 F120 -","4","1","","Liedtke, René; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair Reactions With Bis-Acetylenic Substrates: Exploring the Narrow Gap Separating Very Different Competing Reaction Pathways","Organometallics","2011","30","19","5222","","10.1021/om200615n","","","1.54178","CuKα","","0.0657","0.0472","","","0.1121","0.1275","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065197","11.1678","0.0003","23.7657","0.0009","20.0929","0.0009","90","","102.332","0.003","90","","5209.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H35 B F15 P -","- C58 H35 B F15 P -","- C232 H140 B4 F60 P4 -","4","1","","Liedtke, René; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair Reactions With Bis-Acetylenic Substrates: Exploring the Narrow Gap Separating Very Different Competing Reaction Pathways","Organometallics","2011","30","19","5222","","10.1021/om200615n","","","1.54178","CuKα","","0.106","0.0652","","","0.1528","0.1808","","","","","","1.045","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065198","18.102","0.0003","14.5363","0.0004","18.9485","0.0007","90","","93.72","0.002","90","","4975.5","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 B Cl4 F15 P -","- C51 H45 B Cl4 F15 P -","- C204 H180 B4 Cl16 F60 P4 -","4","1","","Liedtke, René; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair Reactions With Bis-Acetylenic Substrates: Exploring the Narrow Gap Separating Very Different Competing Reaction Pathways","Organometallics","2011","30","19","5222","","10.1021/om200615n","","","1.54178","CuKα","","0.0608","0.0552","","","0.1446","0.15","","","","","","1.034","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065199","9.4793","0.0007","12.2396","0.0004","17.723","0.001","75.207","0.003","75.388","0.006","82.385","0.004","1918.7","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 B F15 P -","- C40 H33 B F15 P -","- C80 H66 B2 F30 P2 -","2","1","","Liedtke, René; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair Reactions With Bis-Acetylenic Substrates: Exploring the Narrow Gap Separating Very Different Competing Reaction Pathways","Organometallics","2011","30","19","5222","","10.1021/om200615n","","","1.54178","CuKα","","0.0844","0.064","","","0.1588","0.1784","","","","","","1.027","","","","has coordinates,has disorder","178544","2020-10-21","18:00:00",""
"4065200","19.4049","0.0012","11.9423","0.0004","20.9813","0.0013","90","","110.358","0.004","90","","4558.5","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H19 B F21 P -","- C48 H19 B F21 P -","- C192 H76 B4 F84 P4 -","4","1","","Liedtke, René; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair Reactions With Bis-Acetylenic Substrates: Exploring the Narrow Gap Separating Very Different Competing Reaction Pathways","Organometallics","2011","30","19","5222","","10.1021/om200615n","","","1.54178","CuKα","","0.0731","0.0564","","","0.1542","0.1652","","","","","","1.049","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065201","17.3309","0.0009","16.4872","0.0006","17.3411","0.0008","90","","101.001","0.002","90","","4864","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H10 B Cl4 F30 P -","- C48 H10 B Cl4 F30 P -","- C192 H40 B4 Cl16 F120 P4 -","4","1","","Liedtke, René; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair Reactions With Bis-Acetylenic Substrates: Exploring the Narrow Gap Separating Very Different Competing Reaction Pathways","Organometallics","2011","30","19","5222","","10.1021/om200615n","","","1.54178","CuKα","","0.1294","0.072","","","0.1769","0.2199","","","","","","1.015","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065202","16.041","0.003","33.811","0.005","9.857","0.0016","90","","90","","90","","5346.1","1.5","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C54 H55 Cl3 Fe2 P3 Re -","- C54 H55 Cl3 Fe2 P3 Re -","- C216 H220 Cl12 Fe8 P12 Re4 -","4","1","","Mejía, Esteban; Togni, Antonio","Rhenium Complexes Containing the Chiral Tridentate Ferrocenyl Ligand Pigiphos","Organometallics","2011","30","17","4765","","10.1021/om200621y","","","0.71073","MoKα","","0.0733","0.0614","","","0.1211","0.1252","","","","","","1.123","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065203","9.7567","0.0013","17.805","0.002","31.703","0.004","90","","90","","90","","5507.4","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H67 Fe2 P3 Re -","- C66 H67 Fe2 P3 Re -","- C264 H268 Fe8 P12 Re4 -","4","1","","Mejía, Esteban; Togni, Antonio","Rhenium Complexes Containing the Chiral Tridentate Ferrocenyl Ligand Pigiphos","Organometallics","2011","30","17","4765","","10.1021/om200621y","","","0.71073","MoKα","","0.0674","0.0555","","","0.1302","0.1359","","","","","","1.215","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065204","17.5343","0.0011","13.9458","0.0009","21.0762","0.0013","90","","109.059","0.001","90","","4871.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 Cl2 O2 P6 Ru2 -","- C38 H66 Cl2 O2 P6 Ru2 -","- C152 H264 Cl8 O8 P24 Ru8 -","4","1","","Ou, Ya-Ping; Jiang, Chuanyin; Wu, Di; Xia, Jianlong; Yin, Jun; Jin, Shan; Yu, Guang-Ao; Liu, Sheng Hua","Synthesis, Characterization, and Properties of Anthracene-Bridged Bimetallic Ruthenium Vinyl Complexes [RuCl(CO)(PMe3)3]2(μ-CH═CH-anthracene-CH═CH)","Organometallics","2011","30","21","5763","","10.1021/om200622q","","","0.71073","MoKα","","0.1315","0.0732","","","0.1333","0.1512","","","","","","1.036","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065205","10.3117","0.0019","12.025","0.002","27.538","0.005","90","","97.221","0.004","90","","3387.6","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Cl7 O P3 Ru -","- C21 H35 Cl7 O P3 Ru -","- C84 H140 Cl28 O4 P12 Ru4 -","4","1","","Ou, Ya-Ping; Jiang, Chuanyin; Wu, Di; Xia, Jianlong; Yin, Jun; Jin, Shan; Yu, Guang-Ao; Liu, Sheng Hua","Synthesis, Characterization, and Properties of Anthracene-Bridged Bimetallic Ruthenium Vinyl Complexes [RuCl(CO)(PMe3)3]2(μ-CH═CH-anthracene-CH═CH)","Organometallics","2011","30","21","5763","","10.1021/om200622q","","","0.71073","MoKα","","0.1098","0.0873","","","0.1818","0.1917","","","","","","1.182","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065206","13.9781","0.0001","7.3435","0.0001","16.5901","0.0002","90","","105.469","0.002","90","","1641.25","0.04","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 B N5 O0 Pt S0 -","- C19 H16 B N5 Pt -","- C76 H64 B4 N20 Pt4 -","4","1","","Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands","Organometallics","2011","30","21","5776","","10.1021/om200624v","","","0.71073","MoKα","","0.0197","0.0166","","","0.0426","0.0432","","","","","","1.053","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065207","7.9171","0.0002","24.0327","0.0007","10.6607","0.0002","90","","111.021","0.002","90","","1893.41","0.09","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sr48","","","- C21 H18 B N5 Pt -","- C21 H18 B N5 Pt -","- C84 H72 B4 N20 Pt4 -","4","1","","Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands","Organometallics","2011","30","21","5776","","10.1021/om200624v","","","0.71073","MoKα","","0.0408","0.0377","","","0.1074","0.1108","","","","","","1.108","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065208","9.0161","0.0002","11.3196","0.0003","22.2307","0.0005","90","","90","","90","","2268.84","0.09","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","sr77conCD","","","- C22 H18 F6 N5 P Pt -","- C22 H18 F6 N5 P Pt -","- C88 H72 F24 N20 P4 Pt4 -","4","1","","Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands","Organometallics","2011","30","21","5776","","10.1021/om200624v","","","0.71073","MoKα","","0.0793","0.0454","","","0.0769","0.0888","","","","","","1.041","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065209","7.845","0.0003","9.947","0.0004","15.435","0.0005","77.109","0.002","78.729","0.002","83.414","0.002","1148.27","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","Compound X","","","- C23 H18 F6 N7 P Pt -","- C23 H18 F6 N7 P Pt -","- C46 H36 F12 N14 P2 Pt2 -","2","1","","Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands","Organometallics","2011","30","21","5776","","10.1021/om200624v","","","0.71073","MoKα","","0.0195","0.0181","","","0.0433","0.044","","","","","","1.067","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065210","7.9337","0.0002","9.9271","0.0003","14.9341","0.0004","79.973","0.001","77.165","0.002","83.888","0.002","1126.47","0.05","173","1","173","1","","","","","","","synthesis as described","6","P -1","-P 1","2","sr65","","","- C21 H18 F6 N7 P Pt -","- C21 H18 F6 N7 P Pt -","- C42 H36 F12 N14 P2 Pt2 -","2","1","","Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands","Organometallics","2011","30","21","5776","","10.1021/om200624v","","x-ray","0.71073","MoKα","","0.0281","0.0237","","","0.0514","0.053","","","","","","1.047","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065211","14.9313","0.0003","7.8894","0.0002","23.1851","0.0005","90","","107.207","0.001","90","","2608.94","0.1","173","1","173","1","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","sr64","","","- C25 H20 F6 N7 P Pt -","- C25 H20 F6 N7 P Pt -","- C100 H80 F24 N28 P4 Pt4 -","4","1","","Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands","Organometallics","2011","30","21","5776","","10.1021/om200624v","","x-ray","0.71073","MoKα","","0.0758","0.0567","","","0.1409","0.1554","","","","","","1.043","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065212","22.0174","0.0004","15.7942","0.0003","15.6794","0.0003","90","","107.581","0.002","90","","5197.79","0.18","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 B0 N6 Pt2 -","- C32 H22 N6 Pt2 -","- C256 H176 N48 Pt16 -","8","1","","Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands","Organometallics","2011","30","21","5776","","10.1021/om200624v","","","0.7107","MoKα","","0.0256","0.0201","","","0.0443","0.0453","","","","","","1.055","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065213","11.1969","0.001","14.0988","0.0013","14.4001","0.0014","86.857","0.002","82.672","0.003","88.077","0.003","2250.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H40 Cr N4 -","- C20 H40 Cr N4 -","- C80 H160 Cr4 N16 -","4","2","","Knisley, Thomas J.; Saly, Mark J.; Heeg, Mary Jane; Roberts, John L.; Winter, Charles H.","Volatility and High Thermal Stability in Mid- to Late-First-Row Transition-Metal Diazadienyl Complexes","Organometallics","2011","30","18","5010","","10.1021/om200626w","","","0.71073","MoKα","","0.1049","0.0665","","","0.1683","0.1972","","","","","","1.02","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065214","18.3813","0.0008","13.4195","0.0006","9.2799","0.0004","90","","90","","90","","2289.05","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H40 Fe N4 -","- C20 H40 Fe N4 -","- C80 H160 Fe4 N16 -","4","0.5","","Knisley, Thomas J.; Saly, Mark J.; Heeg, Mary Jane; Roberts, John L.; Winter, Charles H.","Volatility and High Thermal Stability in Mid- to Late-First-Row Transition-Metal Diazadienyl Complexes","Organometallics","2011","30","18","5010","","10.1021/om200626w","","","0.71073","MoKα","","0.0369","0.0296","","","0.0778","0.0814","","","","","","1.055","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065215","18.2363","0.0008","13.381","0.0006","9.241","0.0004","90","","90","","90","","2254.99","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H40 Co N4 -","- C20 H40 Co N4 -","- C80 H160 Co4 N16 -","4","0.5","","Knisley, Thomas J.; Saly, Mark J.; Heeg, Mary Jane; Roberts, John L.; Winter, Charles H.","Volatility and High Thermal Stability in Mid- to Late-First-Row Transition-Metal Diazadienyl Complexes","Organometallics","2011","30","18","5010","","10.1021/om200626w","","","0.71073","MoKα","","0.0317","0.0262","","","0.0664","0.0691","","","","","","1.023","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065216","18.1617","0.0007","13.3739","0.0005","9.228","0.0004","90","","90","","90","","2241.41","0.15","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H40 N4 Ni -","- C20 H40 N4 Ni -","- C80 H160 N16 Ni4 -","4","0.5","","Knisley, Thomas J.; Saly, Mark J.; Heeg, Mary Jane; Roberts, John L.; Winter, Charles H.","Volatility and High Thermal Stability in Mid- to Late-First-Row Transition-Metal Diazadienyl Complexes","Organometallics","2011","30","18","5010","","10.1021/om200626w","","","0.71073","MoKα","","0.0409","0.0302","","","0.0772","0.0811","","","","","","1.044","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065217","10.9418","0.0002","14.3677","0.0002","16.6363","0.0003","90.136","0.001","94.013","0.001","108.473","0.001","2473.69","0.07","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C25.5 H24 Cl Fe O3 P Pd S -","- C25.5 H24 Cl Fe O3 P Pd S -","- C102 H96 Cl4 Fe4 O12 P4 Pd4 S4 -","4","2","","Chen, Chao; Anselment, Timo M. J.; Fröhlich, Roland; Rieger, Bernhard; Kehr, Gerald; Erker, Gerhard","o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene‒Carbon Monoxide Copolymerization","Organometallics","2011","30","19","5248","","10.1021/om200628r","","","0.71073","MoKα","","0.0557","0.0493","","","0.1143","0.1214","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065218","17.2424","0.0003","9.4608","0.0002","17.4506","0.0004","90","","92.582","0.001","90","","2843.77","0.1","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl Fe N O3.5 P Pd S -","- C29 H28 Cl Fe N O3.5 P Pd S -","- C116 H112 Cl4 Fe4 N4 O14 P4 Pd4 S4 -","4","1","","Chen, Chao; Anselment, Timo M. J.; Fröhlich, Roland; Rieger, Bernhard; Kehr, Gerald; Erker, Gerhard","o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene‒Carbon Monoxide Copolymerization","Organometallics","2011","30","19","5248","","10.1021/om200628r","","","0.71073","MoKα","","0.0788","0.0426","","","0.0898","0.1041","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065219","12.0508","0.0002","11.6611","0.0002","24.0288","0.0007","90","","99.615","0.001","90","","3329.23","0.13","223","2","223","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 Cl4 Fe2 N2 O6 P2 Pd2 S2 -","- C54 H62 Cl4 Fe2 N2 O6 P2 Pd2 S2 -","- C108 H124 Cl8 Fe4 N4 O12 P4 Pd4 S4 -","2","0.5","","Chen, Chao; Anselment, Timo M. J.; Fröhlich, Roland; Rieger, Bernhard; Kehr, Gerald; Erker, Gerhard","o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene‒Carbon Monoxide Copolymerization","Organometallics","2011","30","19","5248","","10.1021/om200628r","","","0.71073","MoKα","","0.0967","0.0641","","","0.1995","0.2232","","","","","","1.037","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065220","17.8906","0.0007","9.3517","0.0005","17.9434","0.0008","90","","102.814","0.002","90","","2927.3","0.2","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl2 Fe N O3 P Pd S -","- C29 H28 Cl2 Fe N O3 P Pd S -","- C116 H112 Cl8 Fe4 N4 O12 P4 Pd4 S4 -","4","1","","Chen, Chao; Anselment, Timo M. J.; Fröhlich, Roland; Rieger, Bernhard; Kehr, Gerald; Erker, Gerhard","o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene‒Carbon Monoxide Copolymerization","Organometallics","2011","30","19","5248","","10.1021/om200628r","","","0.71073","MoKα","","0.112","0.0767","","","0.1711","0.1905","","","","","","1.05","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065221","14.5221","0.0002","10.9631","0.0002","18.2341","0.0003","90","","97.508","0.001","90","","2878.11","0.08","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Fe N O5 P Pd S -","- C30 H30 Fe N O5 P Pd S -","- C120 H120 Fe4 N4 O20 P4 Pd4 S4 -","4","1","","Chen, Chao; Anselment, Timo M. J.; Fröhlich, Roland; Rieger, Bernhard; Kehr, Gerald; Erker, Gerhard","o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene‒Carbon Monoxide Copolymerization","Organometallics","2011","30","19","5248","","10.1021/om200628r","","","0.71073","MoKα","","0.0413","0.0291","","","0.0708","0.078","","","","","","1.053","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065222","10.2911","0.0002","11.3479","0.0002","15.2349","0.0003","71.626","0.001","72.345","0.001","71.369","0.001","1558.86","0.05","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C31 H30 Cl2 Fe N O4 P Pd S -","- C31 H30 Cl2 Fe N O4 P Pd S -","- C62 H60 Cl4 Fe2 N2 O8 P2 Pd2 S2 -","2","1","","Chen, Chao; Anselment, Timo M. J.; Fröhlich, Roland; Rieger, Bernhard; Kehr, Gerald; Erker, Gerhard","o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene‒Carbon Monoxide Copolymerization","Organometallics","2011","30","19","5248","","10.1021/om200628r","","","0.71073","MoKα","","0.0486","0.0365","","","0.0896","0.0964","","","","","","1.042","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065223","7.7977","0.0001","11.2416","0.0002","13.558","0.0002","90","","105.535","0.001","90","","1145.06","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ms_lhmcbv_0m","","","- C9 H13 Br N4 S -","- C9 H13 Br N4 S -","- C36 H52 Br4 N16 S4 -","4","1","","Slivarichova, Miriam; Ahmad, Ruaa; Kuo, Yu-Ying; Nunn, Joshua; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","New Mixed-Donor Bidentate Ligands Based on N-Heterocyclic Carbene and Thione Donors","Organometallics","2011","30","17","4779","","10.1021/om200629j","","","0.71073","MoKα","","0.0181","0.0166","","","0.042","0.0426","","","","","","1.044","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065224","8.9773","0.0003","11.4529","0.0004","12.1648","0.0004","90","","90","","90","","1250.74","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[CS_(Me)H]I","","","- C18 H26 I2 N8 S2 -","- C18 H26 I2 N8 S2 -","- C36 H52 I4 N16 S4 -","2","0.5","","Slivarichova, Miriam; Ahmad, Ruaa; Kuo, Yu-Ying; Nunn, Joshua; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","New Mixed-Donor Bidentate Ligands Based on N-Heterocyclic Carbene and Thione Donors","Organometallics","2011","30","17","4779","","10.1021/om200629j","","","0.71073","MoKα","","0.0173","0.0164","","","0.0379","0.0381","","","","","","1.062","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065225","6.8981","0.0002","9.0283","0.0003","16.5419","0.0006","85.584","0.002","87.533","0.001","73.545","0.001","984.83","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ms_lhbmz_0m","","","- C21 H21 Br N4 S -","- C21 H21 Br N4 S -","- C42 H42 Br2 N8 S2 -","2","1","","Slivarichova, Miriam; Ahmad, Ruaa; Kuo, Yu-Ying; Nunn, Joshua; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","New Mixed-Donor Bidentate Ligands Based on N-Heterocyclic Carbene and Thione Donors","Organometallics","2011","30","17","4779","","10.1021/om200629j","","","0.71073","MoKα","","0.0262","0.0222","","","0.0596","0.0708","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065226","9.7117","0.0014","6.4067","0.0009","17.042","0.003","90","","99.825","0.007","90","","1044.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Y218","","","- C9 H12 N4 O S -","- C9 H12 N4 O S -","- C36 H48 N16 O4 S4 -","4","1","","Slivarichova, Miriam; Ahmad, Ruaa; Kuo, Yu-Ying; Nunn, Joshua; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","New Mixed-Donor Bidentate Ligands Based on N-Heterocyclic Carbene and Thione Donors","Organometallics","2011","30","17","4779","","10.1021/om200629j","","","0.71073","MoKα","","0.0331","0.0318","","","0.0792","0.08","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065227","8.719","0.0003","8.7546","0.0003","9.2175","0.0003","78.837","0.001","87.55","0.002","64.395","0.001","621.82","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ms17_0m","","","- C9 H12 Br Cu N4 S -","- C9 H12 Br Cu N4 S -","- C18 H24 Br2 Cu2 N8 S2 -","2","1","","Slivarichova, Miriam; Ahmad, Ruaa; Kuo, Yu-Ying; Nunn, Joshua; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","New Mixed-Donor Bidentate Ligands Based on N-Heterocyclic Carbene and Thione Donors","Organometallics","2011","30","17","4779","","10.1021/om200629j","","","0.71073","MoKα","","0.0195","0.0178","","","0.0423","0.0428","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065228","9.6138","0.0004","10.0759","0.0005","11.2954","0.0006","106.642","0.002","94.523","0.002","101.486","0.002","1016.52","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ms74_0m","","","- C42 H40 Cu2 I2 N8 S2 -","- C42 H40 Cu2 I2 N8 S2 -","- C42 H40 Cu2 I2 N8 S2 -","1","0.5","","Slivarichova, Miriam; Ahmad, Ruaa; Kuo, Yu-Ying; Nunn, Joshua; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","New Mixed-Donor Bidentate Ligands Based on N-Heterocyclic Carbene and Thione Donors","Organometallics","2011","30","17","4779","","10.1021/om200629j","","","0.71073","MoKα","","0.0255","0.0216","","","0.051","0.0528","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065229","16.8042","0.0006","9.6338","0.0003","17.7241","0.0006","90","","106.904","0.002","90","","2745.35","0.16","119","2","119","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 P2 Pt -","- C33 H34 P2 Pt -","- C132 H136 P8 Pt4 -","4","1","","Hoyte, Sarah A.; Spencer, John L.","Mono- and Diphosphine Platinum(0) Complexes of Methylenecyclopropane, Bicyclopropylidene, and Allylidenecyclopropane","Organometallics","2011","30","20","5415","","10.1021/om200630z","","","0.71073","MoKα","","0.0397","0.0252","","","0.0465","0.0502","","","","","","1.039","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065230","10.4179","0.0004","10.7385","0.0004","11.377","0.0004","66.647","0.002","71.772","0.002","70.542","0.002","1077.48","0.07","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 P Pt -","- C26 H27 P Pt -","- C52 H54 P2 Pt2 -","2","1","","Hoyte, Sarah A.; Spencer, John L.","Mono- and Diphosphine Platinum(0) Complexes of Methylenecyclopropane, Bicyclopropylidene, and Allylidenecyclopropane","Organometallics","2011","30","20","5415","","10.1021/om200630z","","","0.71073","MoKα","","0.1098","0.025","","","0.0601","0.0977","","","","","","1.198","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065231","8.5286","0.0009","17.0903","0.0018","18.91","0.002","90","","93.271","0.001","90","","2751.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 1c","3-(2-((tert-butoxycarbonyl)amino)ethyl)-1-trityl-1H-imidazol-3-ium chloride","","- C29 H34 Cl N3 O3 -","- C29 H34 Cl N3 O3 -","- C116 H136 Cl4 N12 O12 -","4","1","","Busetto, Luigi; Cassani, M. Cristina; Femoni, Cristina; Mancinelli, Michele; Mazzanti, Andrea; Mazzoni, Rita; Solinas, Gavino","N-Heterocyclic Carbene-Amide Rhodium(I) Complexes: Structures, Dynamics, and Catalysis","Organometallics","2011","30","19","5258","","10.1021/om200631w","","","0.71073","MoKα","","0.0439","0.0377","","","0.099","0.1069","","","","","","1.044","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065232","11.9725","0.0007","18.1627","0.001","9.919","0.0005","90","","112.373","0.001","90","","1994.55","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cl N3 O2 Rh -","- C18 H27 Cl N3 O2 Rh -","- C72 H108 Cl4 N12 O8 Rh4 -","4","1","","Busetto, Luigi; Cassani, M. Cristina; Femoni, Cristina; Mancinelli, Michele; Mazzanti, Andrea; Mazzoni, Rita; Solinas, Gavino","N-Heterocyclic Carbene-Amide Rhodium(I) Complexes: Structures, Dynamics, and Catalysis","Organometallics","2011","30","19","5258","","10.1021/om200631w","","","0.71073","MoKα","","0.0246","0.0217","","","0.0596","0.0617","","","","","","1.03","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065233","12.0829","0.0013","15.0838","0.0016","12.2746","0.0013","90","","108.245","0.001","90","","2124.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 I N3 O2 Rh -","- C18 H27 I N3 O2 Rh -","- C72 H108 I4 N12 O8 Rh4 -","4","1","","Busetto, Luigi; Cassani, M. Cristina; Femoni, Cristina; Mancinelli, Michele; Mazzanti, Andrea; Mazzoni, Rita; Solinas, Gavino","N-Heterocyclic Carbene-Amide Rhodium(I) Complexes: Structures, Dynamics, and Catalysis","Organometallics","2011","30","19","5258","","10.1021/om200631w","","","0.71073","MoKα","","0.0503","0.0303","","","0.0623","0.0717","","","","","","1.009","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065234","13.1294","0.0013","9.7921","0.001","29.874","0.003","90","","93.544","0.001","90","","3833.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 3c","RhCl(NBD){1-(2-NHBoc-ethyl)-3-trityl-imidazolin-2-ylidene}]","","- C40 H45 Cl N5 O2 Rh -","- C40 H45 Cl N5 O2 Rh -","- C160 H180 Cl4 N20 O8 Rh4 -","4","1","","Busetto, Luigi; Cassani, M. Cristina; Femoni, Cristina; Mancinelli, Michele; Mazzanti, Andrea; Mazzoni, Rita; Solinas, Gavino","N-Heterocyclic Carbene-Amide Rhodium(I) Complexes: Structures, Dynamics, and Catalysis","Organometallics","2011","30","19","5258","","10.1021/om200631w","","","0.71073","MoKα","","0.0433","0.0314","","","0.0772","0.0842","","","","","","1.022","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065235","13.4171","0.001","17.3604","0.0013","18.4117","0.0014","90","","90","","90","","4288.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20.93 H26 Cl2 N2 O3.07 Ru -","- C20.927 H26 Cl2 N2 O3.073 Ru -","- C167.416 H208 Cl16 N16 O24.584 Ru8 -","8","1","","Nieto, Ismael; Livings, Michelle S.; Sacci, John B.; Reuther, Lauren E.; Zeller, Matthias; Papish, Elizabeth T.","Transfer Hydrogenation in Water via a Ruthenium Catalyst with OH Groups near the Metal Center on a bipy Scaffold","Organometallics","2011","30","23","6339","","10.1021/om200638p","","","0.71073","MoKα","","0.0282","0.0238","","","0.057","0.0601","","","","","","1.051","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065236","13.3184","0.0014","17.9962","0.0019","18.417","0.002","90","","90","","90","","4414.2","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Cl2 N2 O2 Ru -","- C22 H26 Cl2 N2 O2 Ru -","- C176 H208 Cl16 N16 O16 Ru8 -","8","1","","Nieto, Ismael; Livings, Michelle S.; Sacci, John B.; Reuther, Lauren E.; Zeller, Matthias; Papish, Elizabeth T.","Transfer Hydrogenation in Water via a Ruthenium Catalyst with OH Groups near the Metal Center on a bipy Scaffold","Organometallics","2011","30","23","6339","","10.1021/om200638p","","","0.71073","MoKα","","0.0337","0.0266","","","0.0629","0.067","","","","","","1.029","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065237","36.1763","0.0002","8.3305","0.0001","26.6774","0.0002","90","","132.117","0.001","90","","5963.65","0.13","180","2","180","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","stambuli1817","","","- C22 H30 Cl2 F6 Ir2 O6 S2 -","- C22 H30 Cl2 F6 Ir2 O6 S2 -","- C176 H240 Cl16 F48 Ir16 O48 S16 -","8","1","","Whittemore, Sean M.; Gallucci, Judith; Stambuli, James P.","Synthesis and Reactivity of the Anionic Iridium(III) Complex [Cp*Ir(OTf)3][Ag{tBu2P(heptanoyl)}]","Organometallics","2011","30","19","5273","","10.1021/om200639e","","x-ray","0.71073","MoKα","","0.077","0.0341","","","0.0519","0.0594","","","","","","0.983","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065238","11.6112","0.0001","14.2871","0.0001","24.8819","0.0002","90","","90.165","0.001","90","","4127.65","0.06","180","2","180","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","stambuli1809","","","- C28 H46 Ag F9 Ir O10 P S3 -","- C28 H46 Ag F9 Ir O10 P S3 -","- C112 H184 Ag4 F36 Ir4 O40 P4 S12 -","4","1","","Whittemore, Sean M.; Gallucci, Judith; Stambuli, James P.","Synthesis and Reactivity of the Anionic Iridium(III) Complex [Cp*Ir(OTf)3][Ag{tBu2P(heptanoyl)}]","Organometallics","2011","30","19","5273","","10.1021/om200639e","","x-ray","0.71073","MoKα","","0.0541","0.0306","","","0.0521","0.0581","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065239","7.5434","0.0007","14.7364","0.0017","13.8726","0.0008","90","","99.146","0.008","90","","1522.5","0.2","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Z)-5-bromo-2-(ferrocenylidene)benzofuran-3-one","","- C19 H13 Br Fe O2 -","- C19 H13 Br Fe O2 -","- C76 H52 Br4 Fe4 O8 -","4","1","","Tiwari, Keshri Nath; Monserrat, Jean-Philippe; de Montigny, Fréderic; Jaouen, Gérard; Rager, Marie-Noelle; Hillard, Elizabeth","Synthesis and Structural Characterization of Ferrocenyl-Substituted Aurones, Flavones, and Flavonols","Organometallics","2011","30","20","5424","","10.1021/om200644e","","","0.71073","MoKα","","0.0644","0.0365","","0.0622","0.0506","0.0622","","","","","","0.9735","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065240","9.8786","0.0006","13.7386","0.0007","10.6891","0.0006","90","","95.745","0.005","90","","1443.42","0.14","200","","200","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","1-(2'-hydroxyphenyl)-3-ferrocenylprop-2-yn-1-one","","- C19 H14 Fe O2 -","- C19 H14 Fe O2 -","- C76 H56 Fe4 O8 -","4","1","","Tiwari, Keshri Nath; Monserrat, Jean-Philippe; de Montigny, Fréderic; Jaouen, Gérard; Rager, Marie-Noelle; Hillard, Elizabeth","Synthesis and Structural Characterization of Ferrocenyl-Substituted Aurones, Flavones, and Flavonols","Organometallics","2011","30","20","5424","","10.1021/om200644e","","","0.71073","MoKα","","0.0526","0.0322","","0.061","0.0502","0.061","","","","","","1.0566","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065241","7.3599","0.0002","15.1457","0.0005","27.5266","0.0008","90","","90.209","0.001","90","","3068.39","0.16","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-bromo-2-ferrocenyl-chromen-4-one","","- C19 H13 Br Fe O2 -","- C19 H13 Br Fe O2 -","- C152 H104 Br8 Fe8 O16 -","8","2","","Tiwari, Keshri Nath; Monserrat, Jean-Philippe; de Montigny, Fréderic; Jaouen, Gérard; Rager, Marie-Noelle; Hillard, Elizabeth","Synthesis and Structural Characterization of Ferrocenyl-Substituted Aurones, Flavones, and Flavonols","Organometallics","2011","30","20","5424","","10.1021/om200644e","","","0.71073","MoKα","","0.0624","0.0388","","0.0655","0.0556","0.0655","","","","","","0.9797","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065242","11.4115","0.0013","16.1565","0.0007","16.81","0.002","90","","115.569","0.008","90","","2795.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*RuCl((2,6-Me2C6H3NC(Me))2CH)","","","- C31 H40 Cl N2 Ru -","- C31 H40 Cl N2 Ru -","- C124 H160 Cl4 N8 Ru4 -","4","1","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.0541","0.0315","","","0.0529","0.0591","","","","","","1.103","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065243","15.0996","0.0017","8.1612","0.0008","24.661","0.003","90","","115.246","0.009","90","","2748.7","0.6","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*RuCl((3,5-Me2C6H3NCMe)2CH)","","","- C31 H40 Cl N2 Ru -","- C31 H40 Cl N2 Ru -","- C124 H160 Cl4 N8 Ru4 -","4","1","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.1019","0.0415","","","0.0734","0.0835","","","","","","0.842","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065244","30.7359","0.0004","27.2804","0.0003","15.03","0.0002","90","","90","","90","","12602.5","0.3","103","2","103","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Cp*RuCl((3,5-(CF3)2C6H3NCMe)2CH)","","","- C31 H28 Cl F12 N2 Ru -","- C31 H28 Cl F12 N2 Ru -","- C496 H448 Cl16 F192 N32 Ru16 -","16","4","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.0401","0.0342","","","0.074","0.0772","","","","","","1.188","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065245","12.6771","0.0007","8.2347","0.0005","30.471","0.002","90","","110.43","0.005","90","","2980.8","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cp*RuCl(3,5-(CH3)2C6H3NC(CF3))2CH)","","","- C31 H34 Cl F6 N2 Ru -","- C31 H34 Cl F6 N2 Ru -","- C124 H136 Cl4 F24 N8 Ru4 -","4","1","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.0887","0.0446","","","0.096","0.107","","","","","","0.942","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065246","13.3244","0.0002","8.1593","0.0001","15.5064","0.0003","90","","102.807","0.002","90","","1643.88","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Cp*RuCl((3,5-(CF3)2C6H3NC(CF3))2CH)'","","","- C31 H22 Cl F18 N2 Ru -","- C31 H22 Cl F18 N2 Ru -","- C62 H44 Cl2 F36 N4 Ru2 -","2","1","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","1.54184","CuKα","","0.0356","0.0347","","","0.0884","0.0891","","","","","","1.049","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065247","11.1867","0.0012","15.6006","0.0017","17.0345","0.0013","96.753","0.006","103.186","0.008","104.813","0.008","2749","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp*Ru((2,6-Me2C6H3NCMe)2CH)","","","- C31 H40 N2 Ru -","- C31 H40 N2 Ru -","- C124 H160 N8 Ru4 -","4","2","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.0544","0.0336","","","0.06","0.0677","","","","","","1.105","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065248","9.6289","0.0014","11.0346","0.0018","13.816","0.0015","79.105","0.011","76.564","0.009","73.919","0.01","1359.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp*Ru((3,5-Me2C6H3NCMe)2CH)","","","- C31 H40 N2 Ru -","- C31 H40 N2 Ru -","- C62 H80 N4 Ru2 -","2","1","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.0214","0.0191","","","0.0467","0.0482","","","","","","1.091","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065249","8.8692","0.0007","9.2206","0.0008","21.5339","0.0017","86.32","0.007","87.252","0.007","85.375","0.007","1750.1","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","Cp*Ru((3,5-Me2C6H3NC(CF3))2CH)","","","- C37 H34 F12 N2 Ru -","- C37 H34 F12 N2 Ru -","- C74 H68 F24 N4 Ru2 -","2","1","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.0928","0.0549","","","0.1147","0.1241","","","","","","0.956","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065250","9.8077","0.001","11.4136","0.0008","16.3247","0.0015","105.494","0.006","97.74","0.007","105.622","0.009","1653.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","CpRu((3,5-(CH3)2C6H3NC(CF3))2CH)","","","- C37 H40 F6 N2 Ru -","- C37 H40 F6 N2 Ru -","- C74 H80 F12 N4 Ru2 -","2","1","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.0268","0.0229","","","0.0532","0.0551","","","","","","1.154","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065251","8.7701","0.0014","39.424","0.004","23.119","0.004","90","","111.995","0.014","90","","7412","2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*Ru(3,5-(CF3)2C6H3(CF3))2CH","","","- C37 H28 F18 N2 Ru -","- C37 H28 F18 N2 Ru -","- C296 H224 F144 N16 Ru8 -","8","2","","Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.","Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands","Organometallics","2011","30","22","6119","","10.1021/om2006479","","","0.71073","MoKα","","0.0775","0.0651","","","0.1327","0.138","","","","","","1.235","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065252","21.552","0.004","18.772","0.004","19.399","0.004","90","","92.502","0.002","90","","7841","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H122 N8 Y2 -","- C80 H122 N8 Y2 -","- C320 H488 N32 Y8 -","4","0.5","","Lu, Erli; Chen, Yaofeng; Leng, Xuebing","Yttrium Anilido Hydride: Synthesis, Structure, and Reactivity","Organometallics","2011","30","20","5433","","10.1021/om200651c","","","0.71073","MoKα","","0.0833","0.0579","","","0.1465","0.162","","","","","","1.081","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065253","13.5803","0.0012","15.7107","0.0013","21.7733","0.0018","90","","107.742","0.001","90","","4424.5","0.6","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 N5 Y -","- C48 H68 N5 Y -","- C192 H272 N20 Y4 -","4","1","","Lu, Erli; Chen, Yaofeng; Leng, Xuebing","Yttrium Anilido Hydride: Synthesis, Structure, and Reactivity","Organometallics","2011","30","20","5433","","10.1021/om200651c","","","0.71073","MoKα","","0.0637","0.0389","","","0.0997","0.1111","","","","","","1.09","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065254","11.0936","0.0007","19.0417","0.0011","20.9502","0.0012","90","","103.22","0.001","90","","4308.3","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H63 N6 Y -","- C45 H63 N6 Y -","- C180 H252 N24 Y4 -","4","1","","Lu, Erli; Chen, Yaofeng; Leng, Xuebing","Yttrium Anilido Hydride: Synthesis, Structure, and Reactivity","Organometallics","2011","30","20","5433","","10.1021/om200651c","","","0.71073","MoKα","","0.0354","0.0282","","","0.0776","0.0917","","","","","","1.017","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065255","11.9554","0.0011","12.3683","0.0011","14.9065","0.0013","86.963","0.001","81.089","0.001","78.696","0.002","2134.8","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H74 N6 Y -","- C43 H74 N6 Y -","- C86 H148 N12 Y2 -","2","1","","Lu, Erli; Chen, Yaofeng; Leng, Xuebing","Yttrium Anilido Hydride: Synthesis, Structure, and Reactivity","Organometallics","2011","30","20","5433","","10.1021/om200651c","","","0.71073","MoKα","","0.0664","0.049","","","0.147","0.1808","","","","","","1.064","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065256","12.916","0.003","14.94","0.003","20.858","0.005","90","","107.507","0.003","90","","3838.4","1.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 N5 Y -","- C38 H62 N5 Y -","- C152 H248 N20 Y4 -","4","1","","Lu, Erli; Chen, Yaofeng; Leng, Xuebing","Yttrium Anilido Hydride: Synthesis, Structure, and Reactivity","Organometallics","2011","30","20","5433","","10.1021/om200651c","","","0.71073","MoKα","","0.1123","0.0714","","","0.1798","0.2159","","","","","","1.04","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065257","14.276","0.004","20.64","0.005","14.382","0.004","90","","94.245","0.004","90","","4226","2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H53 Mo N4 O6 Y -","- C39 H53 Mo N4 O6 Y -","- C156 H212 Mo4 N16 O24 Y4 -","4","1","","Lu, Erli; Chen, Yaofeng; Leng, Xuebing","Yttrium Anilido Hydride: Synthesis, Structure, and Reactivity","Organometallics","2011","30","20","5433","","10.1021/om200651c","","","0.71073","MoKα","","0.1185","0.0687","","","0.1686","0.2097","","","","","","1.011","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065258","12.205","0.004","16.708","0.004","17.69","0.005","90","","119.221","0.017","90","","3148.3","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl2 N2 O Ru S -","- C32 H38 Cl2 N2 O Ru S -","- C128 H152 Cl8 N8 O4 Ru4 S4 -","4","1","","Hans, Morgan; Willem, Quentin; Wouters, Johan; Demonceau, Albert; Delaude, Lionel","Synthesis and Catalytic Evaluation of Ruthenium‒Arene Complexes Bearing Imidazol(in)ium-2-thiocarboxylate Ligands","Organometallics","2011","30","22","6133","","10.1021/om2006529","","","0.71073","MoKα","","0.1649","0.0516","","","0.0771","0.0938","","","","","","0.756","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065259","12.098","0.002","17.026","0.002","17.536","0.003","90","","119.973","0.011","90","","3129","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 N2 O Ru S -","- C32 H40 Cl2 N2 O Ru S -","- C128 H160 Cl8 N8 O4 Ru4 S4 -","4","1","","Hans, Morgan; Willem, Quentin; Wouters, Johan; Demonceau, Albert; Delaude, Lionel","Synthesis and Catalytic Evaluation of Ruthenium‒Arene Complexes Bearing Imidazol(in)ium-2-thiocarboxylate Ligands","Organometallics","2011","30","22","6133","","10.1021/om2006529","","","0.71073","MoKα","","0.1211","0.0786","","","0.2117","0.309","","","","","","1.125","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065260","7.2695","0.0005","11.3844","0.0009","21.1156","0.0015","90","","90.432","0.007","90","","1747.5","0.2","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 Cl2 N3 P Ru -","- C13 H26 Cl2 N3 P Ru -","- C52 H104 Cl8 N12 P4 Ru4 -","4","1","","García-Álvarez, Rocío; Díez, Josefina; Crochet, Pascale; Cadierno, Victorio","Arene‒Ruthenium(II) Complexes Containing Inexpensive Tris(dimethylamino)phosphine: Highly Efficient Catalysts for the Selective Hydration of Nitriles into Amides","Organometallics","2011","30","20","5442","","10.1021/om2006563","","","1.54184","CuKα","","0.0819","0.0699","","","0.1854","0.1966","","","","","","1.061","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065261","17.6684","0.0006","17.1866","0.0006","25.4564","0.001","90","","107.8","0.004","90","","7360","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H66 Au4 O2 P4 -","- C88 H66 Au4 O2 P4 -","- C352 H264 Au16 O8 P16 -","4","1","","Armitt, David J.; Bruce, Michael I.; Morris, Jonathan C.; Nicholson, Brian K.; Parker, Christian R.; Skelton, Brian W.; Zaitseva, Natasha N.","Bis(metallaethynyl) Ketones: Synthesis and Structure of {(Ph3P)AuC\τb C}2CO and Attempted Transmetalation: Formation and Structure of [1,3-{Ru(dppe)Cp}2{c-COC(OMe)CHCCH}]PF6","Organometallics","2011","30","20","5452","","10.1021/om200659t","","","0.71073","MoKα","","0.0803","0.0526","","","0.089","0.0973","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065262","9.1088","0.0018","10.016","0.002","11.801","0.002","76.98","0.03","76.48","0.03","69.03","0.03","965.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 F4 N3 O3 S -","- C14 H21 F4 N3 O3 S -","- C28 H42 F8 N6 O6 S2 -","2","1","","Li, Dongzhen; Wang, Yang; Zhang, Wen-Xiong; Zhang, Shaoguang; Guang, Jie; Xi, Zhenfeng","One-Pot Synthesis and Unpredicted Hydrogen Bonds of the Guanidinium Triflates from Readily Available Amines, Carbodiimides, and Zn(OTf)2","Organometallics","2011","30","19","5278","","10.1021/om2006613","","","0.71073","MoKα","","0.2124","0.1099","","","0.2833","0.3183","","","","","","1.198","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065263","16.419","0.003","12.458","0.003","10.52","0.002","90","","90","","90","","2151.8","0.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H28 F3 N3 O3 S -","- C17 H28 F3 N3 O3 S -","- C68 H112 F12 N12 O12 S4 -","4","1","","Li, Dongzhen; Wang, Yang; Zhang, Wen-Xiong; Zhang, Shaoguang; Guang, Jie; Xi, Zhenfeng","One-Pot Synthesis and Unpredicted Hydrogen Bonds of the Guanidinium Triflates from Readily Available Amines, Carbodiimides, and Zn(OTf)2","Organometallics","2011","30","19","5278","","10.1021/om2006613","","","0.71073","MoKα","","0.0482","0.0441","","","0.0945","0.0977","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065264","10.61","0.002","11.128","0.002","11.191","0.002","67.54","0.03","80.01","0.03","87.03","0.03","1202.4","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 F16 N4 O14 S4 Zn2 -","- C36 H40 F16 N4 O14 S4 Zn2 -","- C36 H40 F16 N4 O14 S4 Zn2 -","1","0.5","","Li, Dongzhen; Wang, Yang; Zhang, Wen-Xiong; Zhang, Shaoguang; Guang, Jie; Xi, Zhenfeng","One-Pot Synthesis and Unpredicted Hydrogen Bonds of the Guanidinium Triflates from Readily Available Amines, Carbodiimides, and Zn(OTf)2","Organometallics","2011","30","19","5278","","10.1021/om2006613","","","0.71073","MoKα","","0.0705","0.0534","","","0.1388","0.1466","","","","","","1.013","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065265","12.427","0.003","12.814","0.003","17.884","0.004","91.85","0.03","100.3","0.03","104.44","0.03","2704.6","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Acetonitrile- {3-(methyl)-1-(pyrid-2-ylmethyl)-2,3-dihydro-imidazole-2-ylidene-κ^2^ C,N} (pentahapto-pentamethyl-cyclopentadienyl)-ruthenium (II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate","","- C54 H41 B F24 N4 Ru -","- C54 H41 B F24 N4 Ru -","- C108 H82 B2 F48 N8 Ru2 -","2","1","","Fernández, Francys E.; Puerta, M. Carmen; Valerga, Pedro","Half-Sandwich Ruthenium(II) Picolyl-NHC Complexes: Synthesis, Characterization, and Catalytic Activity in Transfer Hydrogenation Reactions","Organometallics","2011","30","21","5793","","10.1021/om200665f","","x-ray","0.71073","MoKα","","0.0843","0.0671","","","0.167","0.1783","","","","","","1.035","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065266","12.498","0.003","17.896","0.004","26.458","0.005","90","","90.67","0.03","90","","5917","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(η^2^-dioxygen)-{κ^2^ C,N-3-isopropyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-(η^5^-pentamethylcyclopentadienyl)-ruthenium(II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate dichloromethane diethylether solvates","","- C56.32 H47.53 B Cl1.12 F24 N3 O2.44 Ru -","- C56.323 H47.528 B Cl1.118 F24 N3 O2.4402 Ru -","- C225.292 H190.112 B4 Cl4.472 F96 N12 O9.7608 Ru4 -","4","1","","Fernández, Francys E.; Puerta, M. Carmen; Valerga, Pedro","Half-Sandwich Ruthenium(II) Picolyl-NHC Complexes: Synthesis, Characterization, and Catalytic Activity in Transfer Hydrogenation Reactions","Organometallics","2011","30","21","5793","","10.1021/om200665f","","x-ray","0.71073","MoKα","","0.057","0.0497","","","0.1196","0.1242","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4065267","12.868","0.002","21.135","0.004","25.841","0.009","107.61","0.02","96.99","0.02","104.684","0.016","6328","3","293","2","293","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C127 H107 B2 F48 P2 Ru2 -","- C127 H107 B2 F48 P2 Ru2 -","- C254 H214 B4 F96 P4 Ru4 -","2","1","","Villar, Amparo; Díez, Josefina; Lastra, Elena; Gamasa, M. Pilar","Ruthenium-Mediated Cyclometalation Reactions of Allene and Allylphosphine C═C Bonds: Synthesis of κ(P),η4-(Hexa-2,5-dien-1-yl)diphenylphosphine‒Ruthenium(II) Complexes","Organometallics","2011","30","21","5803","","10.1021/om200668h","","","1.54184","CuKα","","0.0949","0.0779","","","0.2381","0.2619","","","","","","1.118","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065268","16.758","0.0008","10.9624","0.0006","11.9973","0.0006","90","","98.978","0.003","90","","2177","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(1-thyminylethyl)ferrocene","","- C24 H26 Fe N4 O4 -","- C24 H26 Fe N4 O4 -","- C96 H104 Fe4 N16 O16 -","4","1","","Nguyen, Huy V.; Sallustrau, Antoine; Male, Louise; Thornton, Peter J.; Tucker, James H. R.","1,1′-Homodisubstituted Ferrocenes Containing Adenine and Thymine Nucleobases: Synthesis, Electrochemistry, and Formation of H-Bonded Arrays","Organometallics","2011","30","19","5284","","10.1021/om200671b","","","1.54184","CuKα","","0.0298","0.0278","","","0.0757","0.077","","","","","","1.053","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065269","6.3611","0.0006","8.0936","0.0011","20.68","0.003","90","","90.135","0.008","90","","1064.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(9-adeninylethyl)ferrocene","","- C24 H24 Fe N10 -","- C24 H24 Fe N10 -","- C48 H48 Fe2 N20 -","2","0.5","","Nguyen, Huy V.; Sallustrau, Antoine; Male, Louise; Thornton, Peter J.; Tucker, James H. R.","1,1′-Homodisubstituted Ferrocenes Containing Adenine and Thymine Nucleobases: Synthesis, Electrochemistry, and Formation of H-Bonded Arrays","Organometallics","2011","30","19","5284","","10.1021/om200671b","","","0.71073","MoKα","","0.0932","0.0674","","","0.1285","0.1461","","","","","","1.158","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065270","20.6631","0.0009","11.7587","0.0005","19.228","0.0008","90","","112.103","0.003","90","","4328.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(1-thyminyl-(Z)-ethene)ferrocene","","- C24 H22 Fe N4 O4 -","- C24 H22 Fe N4 O4 -","- C192 H176 Fe8 N32 O32 -","8","2","","Nguyen, Huy V.; Sallustrau, Antoine; Male, Louise; Thornton, Peter J.; Tucker, James H. R.","1,1′-Homodisubstituted Ferrocenes Containing Adenine and Thymine Nucleobases: Synthesis, Electrochemistry, and Formation of H-Bonded Arrays","Organometallics","2011","30","19","5284","","10.1021/om200671b","","","1.54184","CuKα","","0.0476","0.0368","","","0.0902","0.095","","","","","","1.029","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065271","13.271","0.005","14.013","0.006","19.787","0.008","90","","100.055","0.006","90","","3623","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 B N6 O P Y -","- C36 H45 B N6 O P Y -","- C144 H180 B4 N24 O4 P4 Y4 -","4","1","","Yi, Weiyin; Zhang, Jie; Hong, Longcheng; Chen, Zhenxia; Zhou, Xigeng","Insertion of Isocyanate and Isothiocyanate into the Ln‒P σ-Bond of Organolanthanide Phosphides","Organometallics","2011","30","21","5809","","10.1021/om2006722","","","0.71073","MoKα","","0.1347","0.056","","","0.1219","0.1487","","","","","","0.917","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065272","13.379","0.005","13.911","0.005","14.158","0.005","87.724","0.004","62.094","0.004","64.864","0.004","2066","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H50 B N7 O2 P Y -","- C43 H50 B N7 O2 P Y -","- C86 H100 B2 N14 O4 P2 Y2 -","2","1","","Yi, Weiyin; Zhang, Jie; Hong, Longcheng; Chen, Zhenxia; Zhou, Xigeng","Insertion of Isocyanate and Isothiocyanate into the Ln‒P σ-Bond of Organolanthanide Phosphides","Organometallics","2011","30","21","5809","","10.1021/om2006722","","","0.71073","MoKα","","0.0869","0.0517","","","0.1185","0.1342","","","","","","0.907","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065273","11.212","0.004","13.638","0.005","16.428","0.006","76.376","0.005","82.472","0.005","66.392","0.005","2235.1","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50 B N7 P S Y -","- C46 H50 B N7 P S Y -","- C92 H100 B2 N14 P2 S2 Y2 -","2","1","","Yi, Weiyin; Zhang, Jie; Hong, Longcheng; Chen, Zhenxia; Zhou, Xigeng","Insertion of Isocyanate and Isothiocyanate into the Ln‒P σ-Bond of Organolanthanide Phosphides","Organometallics","2011","30","21","5809","","10.1021/om2006722","","","0.71073","MoKα","","0.1384","0.0654","","","0.1499","0.1762","","","","","","0.907","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065275","15.185","0.006","10.346","0.004","18.739","0.007","90","","93.496","0.005","90","","2938","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Er N O P S -","- C33 H33 Er N O P S -","- C132 H132 Er4 N4 O4 P4 S4 -","4","1","","Yi, Weiyin; Zhang, Jie; Hong, Longcheng; Chen, Zhenxia; Zhou, Xigeng","Insertion of Isocyanate and Isothiocyanate into the Ln‒P σ-Bond of Organolanthanide Phosphides","Organometallics","2011","30","21","5809","","10.1021/om2006722","","","0.71073","MoKα","","0.06","0.0361","","","0.077","0.0973","","","","","","0.942","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065276","15.17","0.006","10.334","0.004","18.73","0.008","90","","93.499","0.005","90","","2931","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Dy N O P S -","- C33 H33 Dy N O P S -","- C132 H132 Dy4 N4 O4 P4 S4 -","4","1","","Yi, Weiyin; Zhang, Jie; Hong, Longcheng; Chen, Zhenxia; Zhou, Xigeng","Insertion of Isocyanate and Isothiocyanate into the Ln‒P σ-Bond of Organolanthanide Phosphides","Organometallics","2011","30","21","5809","","10.1021/om2006722","","","0.71073","MoKα","","0.0594","0.0386","","","0.0772","0.0816","","","","","","1.003","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065277","11.826","0.005","9.947","0.003","21.451","0.007","90","","98.782","0.014","90","","2493.8","1.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O2 P2 Ru -","- C24 H36 O2 P2 Ru -","- C96 H144 O8 P8 Ru4 -","4","1","","Ogasawara, Masamichi; Ogura, Morihiko; Sakamoto, Takeshi; Watanabe, Susumu; Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu","Homoannular Double Friedel‒Crafts Acylation of Phosphametallocenes","Organometallics","2011","30","18","5045","","10.1021/om200678q","","","0.71075","MoKα","","","0.0665","","","","0.2491","","","","","","1.175","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065278","11.889","0.0005","16.1841","0.0007","9.9571","0.0004","90","","90","","90","","1915.87","0.14","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H27 Fe O2 P -","- C20 H27 Fe O2 P -","- C80 H108 Fe4 O8 P4 -","4","0.5","","Ogasawara, Masamichi; Ogura, Morihiko; Sakamoto, Takeshi; Watanabe, Susumu; Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu","Homoannular Double Friedel‒Crafts Acylation of Phosphametallocenes","Organometallics","2011","30","18","5045","","10.1021/om200678q","","","0.71075","MoKα","","0.1106","0.0674","","","0.1298","0.1469","","","","","","1.095","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065279","15.9215","0.0002","16.2335","0.0002","28.9629","0.0003","90","","90","","90","","7485.8","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H28 Al N Si2 -","- C14 H28 Al N Si2 -","- C224 H448 Al16 N16 Si32 -","16","2","","Breit, Nora C.; Ancelet, Travis; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens","Synthesis of Intramolecularly Coordinated Aluminum and Gallium Compounds for the Preparation of [1]Ferrocenophanes","Organometallics","2011","30","22","6150","","10.1021/om200680d","","","0.71073","MoKα","","0.0777","0.0502","","","0.097","0.1062","","","","","","1.089","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065280","8.3242","0.0006","15.0855","0.0009","15.2507","0.0006","90","","90","","90","","1915.1","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 Al Br2 N Si2 -","- C12 H22 Al Br2 N Si2 -","- C48 H88 Al4 Br8 N4 Si8 -","4","1","","Breit, Nora C.; Ancelet, Travis; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens","Synthesis of Intramolecularly Coordinated Aluminum and Gallium Compounds for the Preparation of [1]Ferrocenophanes","Organometallics","2011","30","22","6150","","10.1021/om200680d","","","0.71073","MoKα","","0.0536","0.0441","","","0.0847","0.0877","","","","","","1.084","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065281","16.387","0.005","12.116","0.004","12.202","0.004","90","","97.745","0.01","90","","2400.5","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H35 Al N2 Si2 -","- C21 H35 Al N2 Si2 -","- C84 H140 Al4 N8 Si8 -","4","0.5","","Breit, Nora C.; Ancelet, Travis; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens","Synthesis of Intramolecularly Coordinated Aluminum and Gallium Compounds for the Preparation of [1]Ferrocenophanes","Organometallics","2011","30","22","6150","","10.1021/om200680d","","","1.54184","CuKα","","0.0731","0.0582","","","0.134","0.1511","","","","","","1.049","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065282","10.3624","0.0003","14.9316","0.0007","29.4464","0.0013","90","","90","","90","","4556.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H37 Cl7 Os P2 -","- C51 H37 Cl7 Os P2 -","- C204 H148 Cl28 Os4 P8 -","4","1","","Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen","Hydrolysis of Osmium and Ruthenium Carbyne Complexes","Organometallics","2011","30","22","6159","","10.1021/om200685v","","","1.54178","CuKα","","0.0356","0.0274","","","0.0515","0.0537","","","","","","1.005","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065283","10.262","0.0008","11.6363","0.001","23.4763","0.0019","76.4","0.001","79.088","0.001","66.454","0.001","2483.5","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H45 Cl5 O Os P2 -","- C58 H45 Cl5 O Os P2 -","- C116 H90 Cl10 O2 Os2 P4 -","2","1","","Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen","Hydrolysis of Osmium and Ruthenium Carbyne Complexes","Organometallics","2011","30","22","6159","","10.1021/om200685v","","x-ray","0.71073","MoKα","","0.0249","0.0232","","","0.0545","0.0551","","","","","","1.043","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065284","25.295","0.002","12.8976","0.0007","29.254","0.003","90","","112.843","0.01","90","","8795.5","1.4","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C51 H39 Cl5 Os P2 -","- C51 H39 Cl5 Os P2 -","- C408 H312 Cl40 Os8 P16 -","8","1","","Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen","Hydrolysis of Osmium and Ruthenium Carbyne Complexes","Organometallics","2011","30","22","6159","","10.1021/om200685v","","","0.71073","MoKα","","0.1037","0.0565","","","0.0737","0.0809","","","","","","1.008","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065285","11.4372","0.0006","12.3519","0.0006","18.462","0.0009","108.436","0.005","91.266","0.004","101.52","0.004","2414.2","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Cl3 O P2 Ru -","- C60 H48 Cl3 O P2 Ru -","- C120 H96 Cl6 O2 P4 Ru2 -","2","1","","Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen","Hydrolysis of Osmium and Ruthenium Carbyne Complexes","Organometallics","2011","30","22","6159","","10.1021/om200685v","","","1.5418","CuKα","","0.0827","0.0644","","","0.1558","0.162","","","","","","1.049","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065286","10.0441","0.0006","12.2319","0.0008","12.793","0.0008","105.86","0.0006","104.547","0.0006","100.932","0.0006","1406","0.15","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H29 F3 O3.5 P Pd S -","- C30 H29 F3 O3.5 P Pd S -","- C60 H58 F6 O7 P2 Pd2 S2 -","2","1","","Roth, Katrina E.; Blum, Suzanne A.","Direct Observation of Gold/Palladium Transmetalation in an Organogold Heck Reaction","Organometallics","2011","30","18","4811","","10.1021/om2006886","","","0.71073","MoKα","","0.0242","0.0219","","","0.0551","0.0563","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4065287","11.8331","0.0005","11.8394","0.0006","14.7275","0.0006","101.262","0.003","110.223","0.002","90.239","0.003","1893.03","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H31 N2 P -","- C19 H31 N2 P -","- C76 H124 N8 P4 -","4","2","","Naziruddin, Abbas Raja; Hepp, Alexander; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of Rhodium(I) Complexes Bearing Bidentate NH,NR-NHC/Phosphine Ligands","Organometallics","2011","30","21","5859","","10.1021/om200689r","","","1.54178","CuKα","","0.0659","0.0528","","","0.1439","0.1514","","","","","","0.996","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065288","9.5232","0.0005","10.4892","0.0006","21.0399","0.0012","86.62","0.001","86.903","0.001","79.1","0.001","2058.2","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H69 Cl N2 P2 Rh -","- C43 H66 Cl N2 P2 Rh -","- C86 H132 Cl2 N4 P4 Rh2 -","2","1","","Naziruddin, Abbas Raja; Hepp, Alexander; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of Rhodium(I) Complexes Bearing Bidentate NH,NR-NHC/Phosphine Ligands","Organometallics","2011","30","21","5859","","10.1021/om200689r","","","0.71073","MoKα","","0.0915","0.0545","","","0.1247","0.1419","","","","","","1.023","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065289","30.542","0.005","14.614","0.002","23.612","0.006","90","","122.925","0.002","90","","8846","3","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H68 Cl3 N2 O P2 Rh -","- C38 H64 Cl3 N2 O P2 Rh -","- C304 H512 Cl24 N16 O8 P16 Rh8 -","8","1","","Naziruddin, Abbas Raja; Hepp, Alexander; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of Rhodium(I) Complexes Bearing Bidentate NH,NR-NHC/Phosphine Ligands","Organometallics","2011","30","21","5859","","10.1021/om200689r","","","0.71073","MoKα","","0.063","0.0513","","","0.1642","0.1785","","","","","","1.098","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065290","12.855","0.0003","10.0647","0.0002","14.6078","0.0004","90","","107.198","0.002","90","","1805.48","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 B N2 Rh S2 -","- C18 H22 B N2 Rh S2 -","- C72 H88 B4 N8 Rh4 S8 -","4","1","","Dyson, Gavin; Zech, Alexander; Rawe, Benjamin W.; Haddow, Mairi F.; Hamilton, Alexander; Owen, Gareth R.","Scorpionate Ligands Based on 2-Mercaptopyridine: A Ligand with a Greater Propensity To Sting?","Organometallics","2011","30","21","5844","","10.1021/om200694r","","","0.71073","MoKα","","0.0324","0.0248","","","0.0514","0.0543","","","","","","1.026","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065291","14.7115","0.0013","12.34","0.0011","12.0643","0.001","90","","90","","90","","2190.2","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H22 B Cl4 Ir N2 S2 -","- C19 H22 B Cl4 Ir N2 S2 -","- C76 H88 B4 Cl16 Ir4 N8 S8 -","4","0.5","","Dyson, Gavin; Zech, Alexander; Rawe, Benjamin W.; Haddow, Mairi F.; Hamilton, Alexander; Owen, Gareth R.","Scorpionate Ligands Based on 2-Mercaptopyridine: A Ligand with a Greater Propensity To Sting?","Organometallics","2011","30","21","5844","","10.1021/om200694r","","","0.71073","MoKα","","0.0899","0.0632","","","0.1329","0.1425","","","","","","1.085","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065292","13.4747","0.0008","15.0544","0.0008","18.0993","0.001","90","","94.504","0.001","90","","3660.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 I2 O2 P2 Rh -","- C41 H35 I2 O2 P2 Rh -","- C164 H140 I8 O8 P8 Rh4 -","4","1","","Williams, Gary L.; Parks, Christopher M.; Smith, C. Robert; Adams, Harry; Haynes, Anthony; Meijer, Anthony J. H. M.; Sunley, Glenn J.; Gaemers, Sander","Mechanistic Study of Rhodium/xantphos-Catalyzed Methanol Carbonylation","Organometallics","2011","30","22","6166","","10.1021/om2006968","","","0.71073","MoKα","","0.0619","0.0323","","","0.0598","0.0677","","","","","","0.887","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065293","21.1082","0.0011","11.818","0.0006","21.4341","0.0012","90","","114.744","0.001","90","","4856","0.4","150","2","150","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 B Cl6 F4 I N O2 P2 Rh -","- C45 H40 B Cl6 F4 I N O2 P2 Rh -","- C180 H160 B4 Cl24 F16 I4 N4 O8 P8 Rh4 -","4","1","","Williams, Gary L.; Parks, Christopher M.; Smith, C. Robert; Adams, Harry; Haynes, Anthony; Meijer, Anthony J. H. M.; Sunley, Glenn J.; Gaemers, Sander","Mechanistic Study of Rhodium/xantphos-Catalyzed Methanol Carbonylation","Organometallics","2011","30","22","6166","","10.1021/om2006968","","","0.71073","MoKα","","0.0766","0.0448","","","0.0884","0.1036","","","","","","1.046","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065294","11.4822","0.001","21.8589","0.0019","16.7669","0.0015","90","","104.477","0.002","90","","4074.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl2 I O2 P2 Rh -","- C45 H42 Cl2 I O2 P2 Rh -","- C180 H168 Cl8 I4 O8 P8 Rh4 -","4","1","","Williams, Gary L.; Parks, Christopher M.; Smith, C. Robert; Adams, Harry; Haynes, Anthony; Meijer, Anthony J. H. M.; Sunley, Glenn J.; Gaemers, Sander","Mechanistic Study of Rhodium/xantphos-Catalyzed Methanol Carbonylation","Organometallics","2011","30","22","6166","","10.1021/om2006968","","","0.71073","MoKα","","0.1194","0.0609","","","0.1383","0.1703","","","","","","1.033","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065295","11.952","0.013","18.106","0.02","17.351","0.019","90","","95.47","0.018","90","","3738","7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Cl3 O2 P2 Rh -","- C41 H34 Cl3 O2 P2 Rh -","- C164 H136 Cl12 O8 P8 Rh4 -","4","1","","Williams, Gary L.; Parks, Christopher M.; Smith, C. Robert; Adams, Harry; Haynes, Anthony; Meijer, Anthony J. H. M.; Sunley, Glenn J.; Gaemers, Sander","Mechanistic Study of Rhodium/xantphos-Catalyzed Methanol Carbonylation","Organometallics","2011","30","22","6166","","10.1021/om2006968","","","0.71073","MoKα","","0.0524","0.0342","","","0.0763","0.0838","","","","","","1.033","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065296","11.06","0.0006","20.5799","0.0011","16.6732","0.0008","90","","100.689","0.003","90","","3729.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cl O2 P2 Rh -","- C44 H40 Cl O2 P2 Rh -","- C176 H160 Cl4 O8 P8 Rh4 -","4","1","","Williams, Gary L.; Parks, Christopher M.; Smith, C. Robert; Adams, Harry; Haynes, Anthony; Meijer, Anthony J. H. M.; Sunley, Glenn J.; Gaemers, Sander","Mechanistic Study of Rhodium/xantphos-Catalyzed Methanol Carbonylation","Organometallics","2011","30","22","6166","","10.1021/om2006968","","","0.71073","MoKα","","0.1453","0.0522","","","0.111","0.1757","","","","","","1.027","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065297","13.4161","0.0017","13.9972","0.0018","14.5737","0.0019","108.952","0.002","113.58","0.002","101.357","0.002","2197.2","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H39 B Cl4 F4 I O2 P2 Rh -","- C43 H39 B Cl4 F4 I O2 P2 Rh -","- C86 H78 B2 Cl8 F8 I2 O4 P4 Rh2 -","2","1","","Williams, Gary L.; Parks, Christopher M.; Smith, C. Robert; Adams, Harry; Haynes, Anthony; Meijer, Anthony J. H. M.; Sunley, Glenn J.; Gaemers, Sander","Mechanistic Study of Rhodium/xantphos-Catalyzed Methanol Carbonylation","Organometallics","2011","30","22","6166","","10.1021/om2006968","","","0.71073","MoKα","","0.1063","0.0625","","","0.146","0.1666","","","","","","1.048","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065298","16.755","0.003","31.222","0.006","16.892","0.003","90","","100.902","0.004","90","","8677","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H92 B2 F8 O4 P4 Rh2 -","- C93 H92 B2 F8 O4 P4 Rh2 -","- C372 H368 B8 F32 O16 P16 Rh8 -","4","1","","Williams, Gary L.; Parks, Christopher M.; Smith, C. Robert; Adams, Harry; Haynes, Anthony; Meijer, Anthony J. H. M.; Sunley, Glenn J.; Gaemers, Sander","Mechanistic Study of Rhodium/xantphos-Catalyzed Methanol Carbonylation","Organometallics","2011","30","22","6166","","10.1021/om2006968","","","0.71073","MoKα","","0.1852","0.0834","","","0.1933","0.2287","","","","","","0.82","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065299","34.05","0.02","15.953","0.011","12.74","0.009","90","","105.965","0.008","90","","6653","8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Cl3 N3 Pd -","- C32 H42 Cl3 N3 Pd -","- C256 H336 Cl24 N24 Pd8 -","8","1","","Chen, Ming-Tsz; Vicic, David A.; Turner, Michael L.; Navarro, Oscar","(N-Heterocyclic Carbene)PdCl2(TEA) Complexes: Studies on the Effect of the “Throw-Away” Ligand in Catalytic Activity","Organometallics","2011","30","18","5052","","10.1021/om200699p","","","0.71075","MoKα","","0.0956","0.0611","","","0.1355","0.1557","","","","","","1.078","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065300","11.506","0.002","15.499","0.003","19.929","0.004","90","","90","","90","","3554","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 Cl2 N3 Pd -","- C33 H51 Cl2 N3 Pd -","- C132 H204 Cl8 N12 Pd4 -","4","1","","Chen, Ming-Tsz; Vicic, David A.; Turner, Michael L.; Navarro, Oscar","(N-Heterocyclic Carbene)PdCl2(TEA) Complexes: Studies on the Effect of the “Throw-Away” Ligand in Catalytic Activity","Organometallics","2011","30","18","5052","","10.1021/om200699p","","","0.71075","MoKα","","0.0747","0.0507","","","0.083","0.0891","","","","","","1.07","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065301","16.241","0.005","20.146","0.006","10.578","0.003","90","","90","","90","","3461","1.8","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C33 H53 Cl2 N3 Pd -","- C33 H53 Cl2 N3 Pd -","- C132 H212 Cl8 N12 Pd4 -","4","1","","Chen, Ming-Tsz; Vicic, David A.; Turner, Michael L.; Navarro, Oscar","(N-Heterocyclic Carbene)PdCl2(TEA) Complexes: Studies on the Effect of the “Throw-Away” Ligand in Catalytic Activity","Organometallics","2011","30","18","5052","","10.1021/om200699p","","","0.71075","MoKα","","0.0591","0.0469","","","0.1093","0.1168","","","","","","1.053","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065302","13.8992","0.0016","14.8869","0.0017","16.4172","0.0019","90","","90","","90","","3397","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 B N2 P -","- C16 H24 B N2 P -","- C128 H192 B8 N16 P8 -","8","1","","MacInnis, Morgan C.; McDonald, Robert; Turculet, Laura","Synthesis and Characterization of Palladium Complexes Supported by an NPN-Phosphido Ancillary Ligand","Organometallics","2011","30","23","6408","","10.1021/om200701h","","","0.71073","MoKα","","0.0966","0.0574","","","0.1311","0.155","","","","","","1.012","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065303","11.7857","0.0015","11.832","0.0015","15.682","0.002","91.9195","0.0018","96.8964","0.0018","95.3691","0.0017","2159.3","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 N4 O4 P2 Pd2 -","- C36 H46 N4 O4 P2 Pd2 -","- C72 H92 N8 O8 P4 Pd4 -","2","1","","MacInnis, Morgan C.; McDonald, Robert; Turculet, Laura","Synthesis and Characterization of Palladium Complexes Supported by an NPN-Phosphido Ancillary Ligand","Organometallics","2011","30","23","6408","","10.1021/om200701h","","","0.71073","MoKα","","0.0488","0.0314","","","0.0712","0.0759","","","","","","0.946","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065304","19.7889","0.0014","9.4338","0.0007","20.2742","0.0015","90","","114.987","0.001","90","","3430.6","0.4","193","2","193","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H40 Cl2 N4 P2 Pd2 -","- C32 H40 Cl2 N4 P2 Pd2 -","- C128 H160 Cl8 N16 P8 Pd8 -","4","1","","MacInnis, Morgan C.; McDonald, Robert; Turculet, Laura","Synthesis and Characterization of Palladium Complexes Supported by an NPN-Phosphido Ancillary Ligand","Organometallics","2011","30","23","6408","","10.1021/om200701h","","","0.71073","MoKα","","0.0276","0.022","","","0.0555","0.0592","","","","","","1.055","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065305","9.8192","0.0004","18.1484","0.0007","20.4887","0.0008","90","","92.9071","0.0004","90","","3646.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 N4 P2 Pd2 -","- C38 H50 N4 P2 Pd2 -","- C152 H200 N16 P8 Pd8 -","4","1","","MacInnis, Morgan C.; McDonald, Robert; Turculet, Laura","Synthesis and Characterization of Palladium Complexes Supported by an NPN-Phosphido Ancillary Ligand","Organometallics","2011","30","23","6408","","10.1021/om200701h","","","0.71073","MoKα","","0.0295","0.0227","","","0.0533","0.0567","","","","","","1.034","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065306","9.6822","0.0003","10.0127","0.0005","11.4972","0.0005","90.66","0.002","103.669","0.003","93.238","0.003","1080.94","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Al N3 O -","- C24 H32 Al N3 O -","- C48 H64 Al2 N6 O2 -","2","1","","Hild, Frédéric; Brelot, Lydia; Dagorne, Samuel","Novel N,O,N-Supported Tetracoordinate Aluminum Complexes for the Highly Controlled and Immortal ROP of Trimethylene Carbonate (TMC) under Mild Conditions: Access to Narrowly Disperse poly-TMC and Derived Copolymers","Organometallics","2011","30","20","5457","","10.1021/om200703d","","","0.71073","MoKα","","0.0624","0.0465","","","0.123","0.1434","","","","","","1.105","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065307","12.8097","0.0015","18.386","0.002","24.186","0.003","90","","91.6","0.002","90","","5694","1.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H58 Cl3 Cu N2 -","- C70 H58 Cl3 Cu N2 -","- C280 H232 Cl12 Cu4 N8 -","4","1","","Gómez-Suárez, Adrián; Ramón, Rubén S.; Songis, Olivier; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.; Nolan, Steven P.","Influence of a Very BulkyN-Heterocyclic Carbene in Gold-Mediated Catalysis","Organometallics","2011","30","20","5463","","10.1021/om200705y","","","0.71073","MoKα","","0.0678","0.0625","","","0.1659","0.1729","","","","","","1.118","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065308","23.094","0.016","9.552","0.006","25.588","0.018","90","","104.636","0.019","90","","5461","6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H57 B F4 N2 -","- C69 H57 B F4 N2 -","- C276 H228 B4 F16 N8 -","4","0.5","","Gómez-Suárez, Adrián; Ramón, Rubén S.; Songis, Olivier; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.; Nolan, Steven P.","Influence of a Very BulkyN-Heterocyclic Carbene in Gold-Mediated Catalysis","Organometallics","2011","30","20","5463","","10.1021/om200705y","","","1.54178","CuKα","","0.1323","0.0927","","","0.2332","0.2631","","","","","","1.08","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065309","12.8145","0.0019","18.617","0.003","24.148","0.004","90","","91.76","0.004","90","","5758.2","1.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H58 Au Cl3 N2 -","- C70 H58 Au Cl3 N2 -","- C280 H232 Au4 Cl12 N8 -","4","1","","Gómez-Suárez, Adrián; Ramón, Rubén S.; Songis, Olivier; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.; Nolan, Steven P.","Influence of a Very BulkyN-Heterocyclic Carbene in Gold-Mediated Catalysis","Organometallics","2011","30","20","5463","","10.1021/om200705y","","","0.71073","MoKα","","0.1228","0.0587","","","0.1446","0.1883","","","","","","1.045","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065310","12.3872","0.0019","23.915","0.004","24.955","0.003","90","","91.101","0.004","90","","7391.3","1.9","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H64 Au F6 N3 O4 S2 -","- C78 H63.5 Au F6 N3 O4 S2 -","- C312 H254 Au4 F24 N12 O16 S8 -","4","1","","Gómez-Suárez, Adrián; Ramón, Rubén S.; Songis, Olivier; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.; Nolan, Steven P.","Influence of a Very BulkyN-Heterocyclic Carbene in Gold-Mediated Catalysis","Organometallics","2011","30","20","5463","","10.1021/om200705y","","","0.71073","MoKα","","0.0784","0.0598","","","0.1795","0.193","","","","","","1.117","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065311","8.5916","0.0002","10.5025","0.0002","21.704","0.0005","79.552","0.002","83.045","0.002","80.747","0.002","1892.35","0.07","193","","193","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C40 H32 Cl2 O4 P2 Pd S2 -","- C40 H32 Cl2 O4 P2 Pd S2 -","- C80 H64 Cl4 O8 P4 Pd2 S4 -","2","1","","Oulié, Pascal; Nebra, Noel; Ladeira, Sonia; Martin-Vaca, Blanca; Bourissou, Didier","The 2-Indenylidene Chloropalladate {PdCl[Ind(Ph2P═S)2]}(nBu4N): A Versatile Pincer Complex with “Innocent” and “Noninnocent” Behavior","Organometallics","2011","30","23","6416","","10.1021/om200706q","","x-ray","0.71073","MoKα","","0.0707","0.0432","","","0.0831","0.0936","","","","","","1.007","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065312","22.9077","0.0009","14.8401","0.0006","17.244","0.0007","90","","98.765","0.002","90","","5793.7","0.4","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H73 Cl2 N P2 Pd S2 -","- C60.5 H73 Cl2 N P2 Pd S2 -","- C242 H292 Cl8 N4 P8 Pd4 S8 -","4","1","","Oulié, Pascal; Nebra, Noel; Ladeira, Sonia; Martin-Vaca, Blanca; Bourissou, Didier","The 2-Indenylidene Chloropalladate {PdCl[Ind(Ph2P═S)2]}(nBu4N): A Versatile Pincer Complex with “Innocent” and “Noninnocent” Behavior","Organometallics","2011","30","23","6416","","10.1021/om200706q","","x-ray","0.71073","MoKα","","0.1076","0.0553","","","0.1328","0.1678","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065313","10.8654","0.0003","20.5479","0.0004","15.4334","0.0004","90","","96.366","0.001","90","","3424.43","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 Cl2 I P2 Pd S2 -","- C35 H29 Cl2 I P2 Pd S2 -","- C140 H116 Cl8 I4 P8 Pd4 S8 -","4","1","","Oulié, Pascal; Nebra, Noel; Ladeira, Sonia; Martin-Vaca, Blanca; Bourissou, Didier","The 2-Indenylidene Chloropalladate {PdCl[Ind(Ph2P═S)2]}(nBu4N): A Versatile Pincer Complex with “Innocent” and “Noninnocent” Behavior","Organometallics","2011","30","23","6416","","10.1021/om200706q","","","0.71073","MoKα","","0.0454","0.0312","","","0.0645","0.0686","","","","","","1.077","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065314","7.7679","0.0002","14.8489","0.0003","14.052","0.0003","90","","96.37","0.001","90","","1610.82","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1422 FeCl2(PN-ipr)","","","- C11 H19 Cl2 Fe N2 P -","- C11 H19 Cl2 Fe N2 P -","- C44 H76 Cl8 Fe4 N8 P4 -","4","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0257","0.0234","","","0.0624","0.0643","","","","","","1.054","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065315","14.637","0.003","8.0898","0.0018","14.103","0.003","90","","102.268","0.003","90","","1631.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1434 FeBr2(PN-iPr) at 100K","","","- C11 H19 Br2 Fe N2 P -","- C11 H19 Br2 Fe N2 P -","- C44 H76 Br8 Fe4 N8 P4 -","4","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0328","0.0248","","","0.059","0.062","","","","","","1.029","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065316","16.3517","0.001","7.5191","0.0005","16.2743","0.001","90","","117.373","0.001","90","","1776.89","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1431 FeCl2(PN-tBu) at 100K","","","- C13 H23 Cl2 Fe N2 P -","- C13 H23 Cl2 Fe N2 P -","- C52 H92 Cl8 Fe4 N8 P4 -","4","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0348","0.0319","","","0.0848","0.0871","","","","","","1.101","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065317","10.5712","0.0002","10.7944","0.0002","12.3258","0.0002","90","","90.405","0.001","90","","1406.46","0.04","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1531 [FeCl(OPN-iPr)2]Cl at 100K","","","- C22 H38 Cl2 Fe N4 O2 P2 -","- C22 H38 Cl2 Fe N4 O2 P2 -","- C44 H76 Cl4 Fe2 N8 O4 P4 -","2","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0205","0.0199","","","0.0531","0.0536","","","","","","1.052","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065318","8.2674","0.0001","10.1295","0.0001","10.342","0.0001","85.641","0.001","69.484","0.001","82.18","0.001","803.237","0.016","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1562 FeCl2(SPN-iPr) at 100K","","","- C11 H19 Cl2 Fe N2 P S -","- C11 H19 Cl2 Fe N2 P S -","- C22 H38 Cl4 Fe2 N4 P2 S2 -","2","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0249","0.0235","","","0.0643","0.0651","","","","","","1.07","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065319","8.5734","0.0002","10.1255","0.0002","10.301","0.0003","86.539","0.001","70.255","0.001","81.905","0.001","833.19","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1563 FeBr2(SPN-iPr) at 100K","","","- C11 H19 Br2 Fe N2 P S -","- C11 H19 Br2 Fe N2 P S -","- C22 H38 Br4 Fe2 N4 P2 S2 -","2","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0369","0.0281","","","0.0688","0.0731","","","","","","1.034","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065320","8.3127","0.0005","10.1519","0.0007","10.4485","0.0007","85.29","0.004","69.281","0.003","82.508","0.003","817.06","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","1465 FeCl2(SePN-iPr) at 173K","","","- C11 H19 Cl2 Fe N2 P Se -","- C11 H19 Cl2 Fe N2 P Se -","- C22 H38 Cl4 Fe2 N4 P2 Se2 -","2","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0367","0.0315","","","0.0857","0.0889","","","","","","1.018","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065321","25.2681","0.0009","25.2681","0.0009","9.3535","0.0003","90","","90","","90","","5972","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","1518 [FeCl(CO)(PN-iPr)2]Cl.solv","","","- C23 H38 Cl2 Fe N4 O P2 -","- C23 H38 Cl2 Fe N4 O P2 -","- C184 H304 Cl16 Fe8 N32 O8 P16 -","8","1","","Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl","Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes","Organometallics","2011","30","24","6587","","10.1021/om200711q","","","0.71073","MoKα","","0.0846","0.0659","","","0.1774","0.1908","","","","","","1.098","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065322","9.222","0.004","16.392","0.007","15.534","0.006","90","","104.201","0.002","90","","2276.5","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl N6 O4 Ru S -","- C20 H25 Cl N6 O4 Ru S -","- C80 H100 Cl4 N24 O16 Ru4 S4 -","4","1","","Marchetti, Fabio; Pettinari, Claudio; Pettinari, Riccardo; Cerquetella, Adele; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Silva, Telma F. S.; Pombeiro, Armando J. L.","Ruthenium(II) Arene Complexes Bearing Tris(pyrazolyl)methanesulfonate Capping Ligands. Electrochemistry, Spectroscopic, and X-ray Structural Characterization","Organometallics","2011","30","22","6180","","10.1021/om200713v","","","0.71069","MoKα","","0.0424","0.0278","","","0.0592","0.065","","","","","","1.042","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065323","12.115","","12.115","","10.3377","0.0009","90","","90","","120","","1314.02","0.11","150","2","150","2","","","","","","","","7","P -3 m 1","-P 3 2""","164","","","","- C22 H27 Cl N6 O3 Ru S -","- C22 H27 Cl N6 O3 Ru S -","- C44 H54 Cl2 N12 O6 Ru2 S2 -","2","0.166667","","Marchetti, Fabio; Pettinari, Claudio; Pettinari, Riccardo; Cerquetella, Adele; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Silva, Telma F. S.; Pombeiro, Armando J. L.","Ruthenium(II) Arene Complexes Bearing Tris(pyrazolyl)methanesulfonate Capping Ligands. Electrochemistry, Spectroscopic, and X-ray Structural Characterization","Organometallics","2011","30","22","6180","","10.1021/om200713v","","","0.71069","MoKα","","0.0583","0.0509","","","0.1278","0.1315","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065324","8.8436","0.001","10.5078","0.001","12.6238","0.0014","89.147","0.006","74.966","0.007","86.404","0.006","1130.7","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H23 B F4 N6 O3 Ru S -","- C20 H23 B F4 N6 O3 Ru S -","- C40 H46 B2 F8 N12 O6 Ru2 S2 -","2","1","","Marchetti, Fabio; Pettinari, Claudio; Pettinari, Riccardo; Cerquetella, Adele; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Silva, Telma F. S.; Pombeiro, Armando J. L.","Ruthenium(II) Arene Complexes Bearing Tris(pyrazolyl)methanesulfonate Capping Ligands. Electrochemistry, Spectroscopic, and X-ray Structural Characterization","Organometallics","2011","30","22","6180","","10.1021/om200713v","","","0.71069","MoKα","","0.0367","0.0276","","","0.0638","0.0668","","","","","","1.084","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065325","19.1","0.002","10.9572","0.0011","17.5214","0.0018","90","","113.705","0.002","90","","3357.5","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 B Co2 N O6 -","- C38 H34 B Co2 N O6 -","- C152 H136 B4 Co8 N4 O24 -","4","1","","Henderson, Matthew A.; Luo, Jingwei; Oliver, Allen; McIndoe, J. Scott","The Pauson-Khand Reaction: A Gas-Phase and Solution-Phase Examination Using Electrospray Ionization Mass Spectrometry","Organometallics","2011","30","20","5471","","10.1021/om200717r","","","0.71073","MoKα","","0.0351","0.0279","","","0.0766","0.0866","","","","","","1.108","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065326","17.5879","0.0005","13.782","0.0004","20.6662","0.0006","90","","112.857","0.001","90","","4616.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Co2 F6 N O6 P -","- C17 H18 Co2 F6 N O6 P -","- C136 H144 Co16 F48 N8 O48 P8 -","8","2","","Henderson, Matthew A.; Luo, Jingwei; Oliver, Allen; McIndoe, J. Scott","The Pauson-Khand Reaction: A Gas-Phase and Solution-Phase Examination Using Electrospray Ionization Mass Spectrometry","Organometallics","2011","30","20","5471","","10.1021/om200717r","","","0.71073","MoKα","","0.0505","0.0375","","","0.1027","0.1141","","","","","","1.065","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065327","12.7182","0.0005","14.5661","0.0006","18.0495","0.0007","90","","106.797","0.002","90","","3201.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Co4 F6 N O12 P -","- C23 H16 Co4 F6 N O12 P -","- C92 H64 Co16 F24 N4 O48 P4 -","4","1","","Henderson, Matthew A.; Luo, Jingwei; Oliver, Allen; McIndoe, J. Scott","The Pauson-Khand Reaction: A Gas-Phase and Solution-Phase Examination Using Electrospray Ionization Mass Spectrometry","Organometallics","2011","30","20","5471","","10.1021/om200717r","","","0.71073","MoKα","","0.0553","0.0345","","","0.0799","0.0883","","","","","","1.014","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065328","15.501","0.003","16.367","0.003","17.976","0.003","90","","90","","90","","4560.6","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H53 Cl2 P3 Ru -","- C55 H53 Cl2 P3 Ru -","- C220 H212 Cl8 P12 Ru4 -","4","1","","Allen, Olivia R.; Field, Leslie D.; Magill, Alison M.; Vuong, Khuong Q.; Bhadbhade, Mohan M.; Dalgarno, Scott J.","Ruthenium Complexes of CP3: A New Carbon-Centered Polydentate Podand Ligand","Organometallics","2011","30","23","6433","","10.1021/om200718j","","","0.71073","MoKα","","0.0708","0.0488","","","0.0819","0.0885","","","","","","1.021","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065329","13.7351","0.0012","15.1183","0.0006","17.0756","0.0007","115.483","0.002","99.362","0.003","90.794","0.002","3144.2","0.3","155","2","155","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H76 B Cl N O P3 Ru -","- C75 H76 B Cl N O P3 Ru -","- C150 H152 B2 Cl2 N2 O2 P6 Ru2 -","2","1","","Allen, Olivia R.; Field, Leslie D.; Magill, Alison M.; Vuong, Khuong Q.; Bhadbhade, Mohan M.; Dalgarno, Scott J.","Ruthenium Complexes of CP3: A New Carbon-Centered Polydentate Podand Ligand","Organometallics","2011","30","23","6433","","10.1021/om200718j","","","0.71073","MoKα","","0.0437","0.0387","","","0.0917","0.0949","","","","","","1.179","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065330","10.974","0.0004","20.8634","0.0008","18.2687","0.0007","90","","91.704","0.001","90","","4180.9","0.3","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N P3 Ru -","- C48 H52 N P3 Ru -","- C192 H208 N4 P12 Ru4 -","4","1","","Allen, Olivia R.; Field, Leslie D.; Magill, Alison M.; Vuong, Khuong Q.; Bhadbhade, Mohan M.; Dalgarno, Scott J.","Ruthenium Complexes of CP3: A New Carbon-Centered Polydentate Podand Ligand","Organometallics","2011","30","23","6433","","10.1021/om200718j","","","0.71073","MoKα","","0.0315","0.0245","","","0.0639","0.0704","","","","","","1.071","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065331","15.6537","0.0008","13.4349","0.0007","16.4958","0.0009","90","","113.836","0.001","90","","3173.3","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Ir4 N O11 -","- C25 H25 Ir4 N O11 -","- C100 H100 Ir16 N4 O44 -","4","1","","Adams, Richard D.; Chen, Mingwei","Transmetalation Reactions Yield New Tetra- and Pentairidium Carbonyl Complexes Containing σ-Bonded Phenyl Rings","Organometallics","2011","30","21","5867","","10.1021/om2007198","","","0.71073","MoKα","","0.061","0.0477","","","0.1266","0.134","","","","","","1.085","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065332","33.565","0.004","13.5442","0.0018","19.622","0.003","90","","103.262","0.003","90","","8682","2","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 Cl0 Ir4 N O10 P -","- C39 H41 Ir4 N O10 P -","- C312 H328 Ir32 N8 O80 P8 -","8","1","","Adams, Richard D.; Chen, Mingwei","Transmetalation Reactions Yield New Tetra- and Pentairidium Carbonyl Complexes Containing σ-Bonded Phenyl Rings","Organometallics","2011","30","21","5867","","10.1021/om2007198","","","0.71073","MoKα","","0.0494","0.0432","","","0.1261","0.1304","","","","","","1.059","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065333","18.5348","0.0004","13.0734","0.0003","15.9317","0.0004","90","","103.922","0.001","90","","3747.05","0.15","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Ir5 O12 P -","- C36 H20 Ir5 O12 P -","- C144 H80 Ir20 O48 P4 -","4","1","","Adams, Richard D.; Chen, Mingwei","Transmetalation Reactions Yield New Tetra- and Pentairidium Carbonyl Complexes Containing σ-Bonded Phenyl Rings","Organometallics","2011","30","21","5867","","10.1021/om2007198","","","0.71073","MoKα","","0.0541","0.0453","","","0.1339","0.1423","","","","","","0.999","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065334","16.2096","0.0008","19.9166","0.001","16.9894","0.0008","90","","108.529","0.001","90","","5200.5","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H34 Cl2 Ir5 O11 P2 -","- C51 H34 Cl2 Ir5 O11 P2 -","- C204 H136 Cl8 Ir20 O44 P8 -","4","1","","Adams, Richard D.; Chen, Mingwei","Transmetalation Reactions Yield New Tetra- and Pentairidium Carbonyl Complexes Containing σ-Bonded Phenyl Rings","Organometallics","2011","30","21","5867","","10.1021/om2007198","","","0.71073","MoKα","","0.0682","0.0622","","","0.2054","0.2099","","","","","","1.097","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065335","8.1806","0.00013","12.82265","0.00019","31.1555","0.0004","90","","91.7411","0.0013","90","","3266.61","0.08","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 B F4 N4 O3 Rh -","- C33 H36 B F4 N4 O3 Rh -","- C132 H144 B4 F16 N16 O12 Rh4 -","4","1","","Lo, Larry Tso-Lun; Chu, Wing-Kin; Tam, Chun-Yat; Yiu, Shek-Man; Ko, Chi-Chiu; Chiu, Sung-Kay","Aggregation and DNA Intercalation Properties of Di(isocyano) Rhodium(I) Diimine Complexes","Organometallics","2011","30","21","5873","","10.1021/om200723j","","","1.5418","CuKα","","0.043","0.0358","","","0.0885","0.0905","","","","","","1.101","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065336","14.9607","0.001","19.8883","0.0012","17.2271","0.0012","90","","109.262","0.002","90","","4838.9","0.6","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Ru2 -","- C26 H30 Ru2 -","- C208 H240 Ru16 -","8","2","","Takao, Toshiro; Obayashi, Nozomi; Zhao, Bo; Akiyoshi, Kazunori; Omori, Hideki; Suzuki, Hiroharu","Synthesis and Property of Diruthenium Complexes Containing Bridging Cyclic Diene Ligands and the Reaction of Diruthenium Tetrahydrido Complex with Benzene Forming a μ-η2:η2-Cyclohexadiene Complex via Partial Hydrogenation on a Ru2Center","Organometallics","2011","30","18","5057","","10.1021/om200728e","","","0.71069","MoKα","","0.1974","0.0777","","","0.1687","0.2318","","","","","","0.927","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065337","11.6809","0.0003","8.8655","0.0002","33.7174","0.0007","90","","98.391","0.0007","90","","3454.3","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 N2 Ru2 -","- C36 H55 N2 Ru2 -","- C144 H220 N8 Ru8 -","4","1","","Takao, Toshiro; Obayashi, Nozomi; Zhao, Bo; Akiyoshi, Kazunori; Omori, Hideki; Suzuki, Hiroharu","Synthesis and Property of Diruthenium Complexes Containing Bridging Cyclic Diene Ligands and the Reaction of Diruthenium Tetrahydrido Complex with Benzene Forming a μ-η2:η2-Cyclohexadiene Complex via Partial Hydrogenation on a Ru2Center","Organometallics","2011","30","18","5057","","10.1021/om200728e","","","0.71069","MoKα","","0.025","0.0204","","","0.0472","0.0489","","","","","","1.056","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065338","17.8054","0.0006","16.6983","0.0007","13.596","0.0006","90","","90","","90","","4042.4","0.3","123","2","123","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C40 H66 N4 Ru2 -","- C40 N4 Ru2 -","- C160 N16 Ru8 -","4","0.25","","Takao, Toshiro; Obayashi, Nozomi; Zhao, Bo; Akiyoshi, Kazunori; Omori, Hideki; Suzuki, Hiroharu","Synthesis and Property of Diruthenium Complexes Containing Bridging Cyclic Diene Ligands and the Reaction of Diruthenium Tetrahydrido Complex with Benzene Forming a μ-η2:η2-Cyclohexadiene Complex via Partial Hydrogenation on a Ru2Center","Organometallics","2011","30","18","5057","","10.1021/om200728e","","","0.71069","MoKα","","0.0592","0.0554","","","0.1487","0.1526","","","","","","1.065","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065339","9.793","0.0015","9.8397","0.0018","15.993","0.002","100.994","0.005","100.953","0.005","112.116","0.005","1342.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 O3 Ru2 -","- C29 H40 O3 Ru2 -","- C58 H80 O6 Ru4 -","2","1","","Takao, Toshiro; Obayashi, Nozomi; Zhao, Bo; Akiyoshi, Kazunori; Omori, Hideki; Suzuki, Hiroharu","Synthesis and Property of Diruthenium Complexes Containing Bridging Cyclic Diene Ligands and the Reaction of Diruthenium Tetrahydrido Complex with Benzene Forming a μ-η2:η2-Cyclohexadiene Complex via Partial Hydrogenation on a Ru2Center","Organometallics","2011","30","18","5057","","10.1021/om200728e","","","0.71069","MoKα","","0.0535","0.0395","","","0.0868","0.0939","","","","","","1.027","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065340","8.3926","0.0004","26.2462","0.0011","10.9157","0.0004","90","","104.155","0.0014","90","","2331.44","0.17","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Ru2 -","- C25 H23 Ru2 -","- C100 H92 Ru8 -","4","1","","Takao, Toshiro; Obayashi, Nozomi; Zhao, Bo; Akiyoshi, Kazunori; Omori, Hideki; Suzuki, Hiroharu","Synthesis and Property of Diruthenium Complexes Containing Bridging Cyclic Diene Ligands and the Reaction of Diruthenium Tetrahydrido Complex with Benzene Forming a μ-η2:η2-Cyclohexadiene Complex via Partial Hydrogenation on a Ru2Center","Organometallics","2011","30","18","5057","","10.1021/om200728e","","","0.71069","MoKα","","0.0533","0.0384","","","0.0925","0.1012","","","","","","1.042","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065341","8.0533","0.0008","36.216","0.003","9.1233","0.001","90","","109.657","0.003","90","","2505.8","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Ru2 -","- C27 H42 Ru2 -","- C108 H168 Ru8 -","4","1","","Takao, Toshiro; Obayashi, Nozomi; Zhao, Bo; Akiyoshi, Kazunori; Omori, Hideki; Suzuki, Hiroharu","Synthesis and Property of Diruthenium Complexes Containing Bridging Cyclic Diene Ligands and the Reaction of Diruthenium Tetrahydrido Complex with Benzene Forming a μ-η2:η2-Cyclohexadiene Complex via Partial Hydrogenation on a Ru2Center","Organometallics","2011","30","18","5057","","10.1021/om200728e","","","0.71069","MoKα","","0.0649","0.0354","","","0.066","0.0843","","","","","","1.081","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065342","10.6126","0.0011","17.3394","0.0018","24.612","0.003","90","","97.076","0.002","90","","4494.5","0.9","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H59 N2 Na O2 P2 -","- C51 H59 N2 Na O2 P2 -","- C204 H236 N8 Na4 O8 P8 -","4","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.0714","0.0547","","","0.136","0.146","","","","","","1.05","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065343","11.1549","0.0004","12.6068","0.0004","17.4105","0.0006","100.16","0.003","91.234","0.003","93.885","0.003","2403.07","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H63 N2 O4 P2 Rb -","- C51 H63 N2 O4 P2 Rb -","- C102 H126 N4 O8 P4 Rb2 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","1.5418","CuKα","","0.0366","0.0332","","","0.0841","0.0866","","","","","","1.023","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065344","27.489","0.0016","27.489","0.0016","28.0813","0.0014","90","","90","","120","","18376.6","1.8","90","2","90","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H47 Cs N2 O0.5 P2 -","- C43 H43 Cs N2 P2 -","- C774 H774 Cs18 N36 P36 -","18","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","1.5418","CuKα","","0.072","0.0569","","","0.141","0.149","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065345","11.8167","0.0007","12.4338","0.0007","18.431","0.001","73.701","0.002","80.258","0.002","72.164","0.002","2464","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.5 H67 N2 Na O P2 -","- C53 H63 N2 Na O P2 -","- C106 H126 N4 Na2 O2 P4 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.0471","0.0429","","","0.116","0.119","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065346","10.4895","0.0014","12.6503","0.0016","40.112","0.005","90","","93.309","0.002","90","","5313.8","1.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H71 K N2 O2 P2 -","- C57 H71 K N2 O2 P2 -","- C228 H284 K4 N8 O8 P8 -","4","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.1518","0.0942","","","0.2401","0.2742","","","","","","1.019","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065347","11.7806","0.0007","13.3858","0.0008","17.0995","0.001","74.123","0.001","74.504","0.001","65.122","0.001","2316.9","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H63 K N2 O P2 -","- C53 H63 K N2 O P2 -","- C106 H126 K2 N4 O2 P4 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.0419","0.0378","","","0.104","0.107","","","","","","1.03","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065348","12.7002","0.0018","13.3967","0.0019","20.018","0.003","95.281","0.002","106.173","0.002","111.971","0.002","2959","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H87 N2 O4 P2 Rb -","- C65 H87 N2 O4 P2 Rb -","- C130 H174 N4 O8 P4 Rb2 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.0854","0.0593","","","0.157","0.175","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4065349","10.7463","0.0007","20.3503","0.0013","28.0299","0.0018","90","","94.467","0.001","90","","6111.3","0.7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H89 Cs N2 O4 P2 -","- C65 H89 Cs N2 O4 P2 -","- C260 H356 Cs4 N8 O16 P8 -","4","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.0735","0.0585","","","0.1463","0.1595","","","","","","1.024","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065350","12.6855","0.0008","15.4244","0.001","17.1748","0.0011","83.079","0.001","77.224","0.001","85.417","0.001","3248.5","0.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H83 Ce I2 N2 O2 P2 -","- C72 H83 Ce I2 N2 O2 P2 -","- C144 H166 Ce2 I4 N4 O4 P4 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.0472","0.0367","","","0.0835","0.0877","","","","","","1.03","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065351","12.7745","0.0017","15.235","0.002","17.276","0.002","85.157","0.002","76.84","0.002","87.327","0.002","3261","0.7","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H79 I2 N2 O2 P2 Pr -","- C58 H67 I2 N2 O2 P2 Pr -","- C116 H134 I4 N4 O4 P4 Pr2 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.0695","0.0549","","","0.136","0.141","","","","","","0.99","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065352","12.729","0.001","15.5095","0.0012","17.2653","0.0013","82.868","0.002","77.062","0.002","85.12","0.002","3290.5","0.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H83 I2 N2 Nd O2 P2 -","- C72 H83 I2 N2 Nd O2 P2 -","- C144 H166 I4 N4 Nd2 O4 P4 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.0509","0.0417","","","0.111","0.118","","","","","","1.04","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065353","12.7524","0.0009","15.1734","0.0011","17.286","0.0012","85.621","0.002","76.686","0.002","87.418","0.002","3244.1","0.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H83 I2 N2 O2 P2 Sm -","- C72 H83 I2 N2 O2 P2 Sm -","- C144 H166 I4 N4 O4 P4 Sm2 -","2","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","0.71073","MoKα","","0.0523","0.0428","","","0.1049","0.1096","","","","","","1.032","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065354","7.8753","0.0017","9.07","0.002","30.441","0.007","90","","90","","90","","2174.4","0.8","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N O P W -","- C22 H32 N O P W -","- C88 H128 N4 O4 P4 W4 -","4","1","","Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W)","Organometallics","2011","30","22","6201","","10.1021/om200731s","","","0.71073","MoKα","","0.0348","0.0309","","","0.0564","0.0573","","","","","","1.118","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065355","9.4452","0.0015","11.0514","0.0017","11.6303","0.0016","71.176","0.007","86.42","0.008","68.403","0.008","1066.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H33 N O W -","- C25 H33 N O W -","- C50 H66 N2 O2 W2 -","2","1","","Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W)","Organometallics","2011","30","22","6201","","10.1021/om200731s","","","0.71073","MoKα","","0.0225","0.0204","","","0.0484","0.0491","","","","","","1.105","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065356","22.6699","0.0011","14.4074","0.0007","15.4067","0.0008","90","","106.36","0.002","90","","4828.3","0.4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H39 N O W -","- C26 H39 N O W -","- C208 H312 N8 O8 W8 -","8","1","","Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W)","Organometallics","2011","30","22","6201","","10.1021/om200731s","","","0.71073","MoKα","","0.0256","0.0202","","","0.0475","0.0503","","","","","","1.034","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065357","8.5682","0.0003","13.0558","0.0004","22.2189","0.0006","90","","97.668","0.001","90","","2463.28","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O W -","- C28 H35 N O W -","- C112 H140 N4 O4 W4 -","4","1","","Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W)","Organometallics","2011","30","22","6201","","10.1021/om200731s","","","0.71073","MoKα","","0.0278","0.0209","","","0.0466","0.0496","","","","","","1.042","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065358","8.7144","0.0006","9.5092","0.0006","14.0254","0.001","91.032","0.003","103.061","0.003","92.57","0.004","1130.56","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 N O W -","- C26 H37 N O W -","- C52 H74 N2 O2 W2 -","2","1","","Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W)","Organometallics","2011","30","22","6201","","10.1021/om200731s","","","0.71073","MoKα","","0.0354","0.0324","","","0.0826","0.0845","","","","","","1.196","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065359","8.5854","0.0007","14.6515","0.0013","20.5856","0.0017","90","","95.737","0.002","90","","2576.5","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H38.5 N O W -","- C29.5 H38.5 N O W -","- C118 H154 N4 O4 W4 -","4","1","","Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W)","Organometallics","2011","30","22","6201","","10.1021/om200731s","","","0.71073","MoKα","","0.0434","0.0312","","","0.0727","0.0778","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065360","8.569","0.005","13.07","0.005","22.268","0.005","90","","97.56","0.005","90","","2472.3","1.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Mo N O -","- C28 H35 Mo N O -","- C112 H140 Mo4 N4 O4 -","4","1","","Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W)","Organometallics","2011","30","22","6201","","10.1021/om200731s","","","0.71073","MoKα","","0.0409","0.0314","","","0.0763","0.0815","","","","","","1.036","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065361","12.6752","0.0007","15.0112","0.0009","19.2987","0.0011","67.2482","0.0009","84.5581","0.001","68.166","0.0009","3138.2","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C65 H67 B F4 Ir N O4 P4 Ru -","- C61 H57 B F4 Ir N O3 P4 Ru -","- C122 H114 B2 F8 Ir2 N2 O6 P8 Ru2 -","2","1","","MacDougall, Tiffany J.; Trepanier, Steven J.; Dutton, Jason L.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Facile Carbon‒Carbon Bond Formation and Multiple Carbon‒Hydrogen Bond Activations Promoted by Methylene-Bridged Iridium/Ruthenium Complexes","Organometallics","2011","30","21","5882","","10.1021/om200732p","","","0.71073","MoKα","","0.0403","0.0331","","","0.0831","0.0856","","","","","","1.045","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065362","12.6893","0.0011","14.9289","0.0013","19.3173","0.0016","67.1788","0.0012","84.9075","0.0014","68.7623","0.0012","3138.2","0.5","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C64 H65 B F4 Ir N O4 P4 Ru -","- C60 H55 B F4 Ir N O3 P4 Ru -","- C120 H110 B2 F8 Ir2 N2 O6 P8 Ru2 -","2","1","","MacDougall, Tiffany J.; Trepanier, Steven J.; Dutton, Jason L.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Facile Carbon‒Carbon Bond Formation and Multiple Carbon‒Hydrogen Bond Activations Promoted by Methylene-Bridged Iridium/Ruthenium Complexes","Organometallics","2011","30","21","5882","","10.1021/om200732p","","","0.71073","MoKα","","0.0375","0.0339","","","0.0916","0.0931","","","","","","1.05","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065363","12.5683","0.0008","12.8768","0.0008","20.1977","0.0013","99.4872","0.0009","90.1385","0.0009","94.0337","0.0009","3215.8","0.4","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C66.5 H63 Cl3 F3 Ir O6 P4 Ru S -","- C65 H60 F3 Ir O6 P4 Ru S -","- C130 H120 F6 Ir2 O12 P8 Ru2 S2 -","2","1","","MacDougall, Tiffany J.; Trepanier, Steven J.; Dutton, Jason L.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Facile Carbon‒Carbon Bond Formation and Multiple Carbon‒Hydrogen Bond Activations Promoted by Methylene-Bridged Iridium/Ruthenium Complexes","Organometallics","2011","30","21","5882","","10.1021/om200732p","","","0.71073","MoKα","","0.0253","0.0227","","","0.0598","0.0611","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065364","12.4286","0.0006","15.0216","0.0007","18.6676","0.0008","95.2809","0.0005","100.156","0.0005","112.256","0.0005","3126.4","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C64 H62 B Cl4 F4 Ir O3 P4 Ru -","- C64 H62 B Cl4 F4 Ir O3 P4 Ru -","- C128 H124 B2 Cl8 F8 Ir2 O6 P8 Ru2 -","2","1","","MacDougall, Tiffany J.; Trepanier, Steven J.; Dutton, Jason L.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Facile Carbon‒Carbon Bond Formation and Multiple Carbon‒Hydrogen Bond Activations Promoted by Methylene-Bridged Iridium/Ruthenium Complexes","Organometallics","2011","30","21","5882","","10.1021/om200732p","","","0.71073","MoKα","","0.0373","0.0345","","","0.0947","0.0964","","","","","","1.047","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065365","11.3604","0.0007","15.8562","0.001","19.8159","0.0013","90","","94.647","0.001","90","","3557.8","0.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 Cl4 Cr N2 O2 -","- C37 H42 Cl4 Cr N2 O2 -","- C148 H168 Cl16 Cr4 N8 O8 -","4","1","","Gao, Bo; Gao, Wei; Wu, Qiaolin; Luo, Xuyang; Zhang, Jingshun; Su, Qing; Mu, Ying","Chromium Complexes with Acenaphthene Imine Derivative Ligands Synthesis and Catalysis on Diene Polymerization","Organometallics","2011","30","20","5480","","10.1021/om200733e","","","0.71073","MoKα","","0.0959","0.0727","","","0.1864","0.2056","","","","","","1.031","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065366","14.448","0.0009","15.1031","0.0009","16.4755","0.001","76.028","0.001","83.591","0.001","69.277","0.001","3261.7","0.3","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H74 Cl6 Cr2 N4 O -","- C69 H74 Cl6 Cr2 N4 O -","- C138 H148 Cl12 Cr4 N8 O2 -","2","1","","Gao, Bo; Gao, Wei; Wu, Qiaolin; Luo, Xuyang; Zhang, Jingshun; Su, Qing; Mu, Ying","Chromium Complexes with Acenaphthene Imine Derivative Ligands Synthesis and Catalysis on Diene Polymerization","Organometallics","2011","30","20","5480","","10.1021/om200733e","","","0.71073","MoKα","","0.0982","0.083","","","0.255","0.2752","","","","","","1.051","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065367","12.0344","0.0011","36.717","0.003","19.4544","0.0018","90","","105.749","0.002","90","","8273.6","1.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H88 Cl4 Cr2 N4 O -","- C76 H88 Cl4 Cr2 N4 O -","- C304 H352 Cl16 Cr8 N16 O4 -","4","1","","Gao, Bo; Gao, Wei; Wu, Qiaolin; Luo, Xuyang; Zhang, Jingshun; Su, Qing; Mu, Ying","Chromium Complexes with Acenaphthene Imine Derivative Ligands Synthesis and Catalysis on Diene Polymerization","Organometallics","2011","30","20","5480","","10.1021/om200733e","","","0.71073","MoKα","","0.1389","0.0895","","","0.2845","0.3255","","","","","","1.066","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065368","12.098","0.0005","13.5994","0.0006","15.5225","0.0007","98.197","0.001","99.215","0.001","97.544","0.001","2463.89","0.19","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H49 Cl8 Cr2 N2 O4 -","- C50 H49 Cl8 Cr2 N2 O4 -","- C100 H98 Cl16 Cr4 N4 O8 -","2","1","","Gao, Bo; Gao, Wei; Wu, Qiaolin; Luo, Xuyang; Zhang, Jingshun; Su, Qing; Mu, Ying","Chromium Complexes with Acenaphthene Imine Derivative Ligands Synthesis and Catalysis on Diene Polymerization","Organometallics","2011","30","20","5480","","10.1021/om200733e","","","0.71073","MoKα","","0.1163","0.0915","","","0.236","0.2603","","","","","","1.045","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065369","18.3019","0.0003","15.526","0.0003","24.669","0.0005","90","","93.5722","0.0009","90","","6996.2","0.2","173","1","173","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N O5 P Pd S -","- C34 H30 N O5 P Pd S -","- C272 H240 N8 O40 P8 Pd8 S8 -","8","1","","Anselment, Timo M. J.; Wichmann, Christian; Anderson, Carly E.; Herdtweck, Eberhardt; Rieger, Bernhard","Structural Modification of Functionalized Phosphine Sulfonate-Based Palladium(II) Olefin Polymerization Catalysts","Organometallics","2011","30","24","6602","","10.1021/om200734x","","","0.71073","MoKα","","0.0244","0.0225","","","0.0579","0.0589","","","","","","1.06","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065370","23.1506","0.0009","14.7312","0.0006","24.5348","0.0009","90","","110.688","0.0017","90","","7827.7","0.5","123","1","123","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H67 Cl3 N2 O10 P2 Pd2 S2 -","- C65 H67 Cl3 N2 O10 P2 Pd2 S2 -","- C260 H268 Cl12 N8 O40 P8 Pd8 S8 -","4","1","","Anselment, Timo M. J.; Wichmann, Christian; Anderson, Carly E.; Herdtweck, Eberhardt; Rieger, Bernhard","Structural Modification of Functionalized Phosphine Sulfonate-Based Palladium(II) Olefin Polymerization Catalysts","Organometallics","2011","30","24","6602","","10.1021/om200734x","","","0.71073","MoKα","","0.0382","0.0344","","","0.0913","0.0935","","","","","","1.056","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065371","15.7738","0.0007","16.622","0.0008","23.858","0.0017","103.274","0.007","104.929","0.007","97.805","0.007","5755","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H114 Ba O38 Sb14 -","- C98 H77 Ba O37.28 Sb14 -","- C196 H154 Ba2 O74.56 Sb28 -","2","1","","Nicholson, Brian K.; Clark, Christopher J.; Wright, Cody E.; Telfer, Shane G.; Groutso, Tania","New Sb12and Sb14Polyoxometalate Frameworks Derived from Arylstibonic Acids: [LiH3(p-MeC6H4Sb)12O28]4‒and [BaH10(p-MeC6H4Sb)14O34]","Organometallics","2011","30","24","6612","","10.1021/om200739a","","","1.54178","CuKα","","0.108","0.0852","","","0.2122","0.2429","","","","","","1.053","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065372","22.5271","0.0003","29.5173","0.0004","35.9883","0.0005","90","","90","","90","","23930","0.6","89","2","89","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H133 Br Li6 O49 Sb12 -","- C84 H84 Br0.976 Li5.2 O46.319 Sb12 -","- C672 H672 Br7.808 Li41.6 O370.552 Sb96 -","8","1","","Nicholson, Brian K.; Clark, Christopher J.; Wright, Cody E.; Telfer, Shane G.; Groutso, Tania","New Sb12and Sb14Polyoxometalate Frameworks Derived from Arylstibonic Acids: [LiH3(p-MeC6H4Sb)12O28]4‒and [BaH10(p-MeC6H4Sb)14O34]","Organometallics","2011","30","24","6612","","10.1021/om200739a","","","0.71073","MoKα","","0.0907","0.0512","","","0.1145","0.1386","","","","","","1.062","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065373","11.304","0.006","11.02","0.006","9.152","0.005","90","","90","","90","","1140.1","1.1","93","2","93","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- B5 H12 N O12 -","- B5 H12 N O12 -","- B20 H48 N4 O48 -","4","0.5","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Highly Active Iridium(III)‒NHC System for the Catalytic B‒N Bond Activation and Subsequent Solvolysis of Ammonia‒Borane","Organometallics","2011","30","20","5487","","10.1021/om2007437","","","0.71073","MoKα","","0.0242","0.0241","","","0.0605","0.0606","","","","","","1.054","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4065374","24.477","0.004","10.024","0.002","22.326","0.005","90","","90","","90","","5477.9","1.9","93","2","93","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H43 F6 Ir N5 P -","- C22 H43 F6 Ir N5 P -","- C176 H344 F48 Ir8 N40 P8 -","8","1","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Highly Active Iridium(III)‒NHC System for the Catalytic B‒N Bond Activation and Subsequent Solvolysis of Ammonia‒Borane","Organometallics","2011","30","20","5487","","10.1021/om2007437","","","0.71073","MoKα","","0.0614","0.0529","","","0.1208","0.1256","","","","","","1.156","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065375","11.312","0.004","23.91","0.007","10.387","0.003","90","","100.755","0.004","90","","2760","1.5","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 F6 Ir N5 P -","- C22 H41 F6 Ir N5 P -","- C88 H164 F24 Ir4 N20 P4 -","4","1","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Highly Active Iridium(III)‒NHC System for the Catalytic B‒N Bond Activation and Subsequent Solvolysis of Ammonia‒Borane","Organometallics","2011","30","20","5487","","10.1021/om2007437","","","0.71073","MoKα","","0.0544","0.0493","","","0.1196","0.1235","","","","","","1.089","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065376","14.346","0.002","10.8182","0.0017","14.463","0.002","90","","119.226","0.002","90","","1958.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Br Ir N2 O -","- C20 H26 Br Ir N2 O -","- C80 H104 Br4 Ir4 N8 O4 -","4","1","","Jiménez, M. Victoria; Fernández-Tornos, Javier; Pérez-Torrente, Jesús J.; Modrego, Francisco J.; Winterle, Sonja; Cunchillos, Carmen; Lahoz, Fernando J.; Oro, Luis A.","Iridium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient and Versatile Transfer Hydrogenation Catalysts","Organometallics","2011","30","20","5493","","10.1021/om200747k","","","0.71073","MoKα","","0.0312","0.0269","","","0.0634","0.0651","","","","","","1.039","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065377","14.611","0.003","7.7625","0.0016","21.751","0.005","90","","96.143","0.003","90","","2452.8","0.9","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H30 B Br F4 Ir N3 O -","- C22 H30 B Br F4 Ir N3 O -","- C88 H120 B4 Br4 F16 Ir4 N12 O4 -","4","2","","Jiménez, M. Victoria; Fernández-Tornos, Javier; Pérez-Torrente, Jesús J.; Modrego, Francisco J.; Winterle, Sonja; Cunchillos, Carmen; Lahoz, Fernando J.; Oro, Luis A.","Iridium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient and Versatile Transfer Hydrogenation Catalysts","Organometallics","2011","30","20","5493","","10.1021/om200747k","","","0.71073","MoKα","","0.0278","0.0265","","","0.0558","0.0564","","","","","","1.052","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065378","10.6872","0.0015","12.8629","0.0018","9.7035","0.0014","90","","109.022","0.007","90","","1261.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pentacarbonyl-thioformamide-Molibdenum","","","- C8 H7 Mo N O5 S -","- C8 H7 Mo N O5 S -","- C32 H28 Mo4 N4 O20 S4 -","4","1","","Arias-Ugarte, Renzo; Sharma, Hemant K.; Metta-Magaña, Alejandro J.; Pannell, Keith H.","Mo(CO)6-Catalyzed Reduction ofN,N-Dimethylthioformamide by Silanes, Germanes, and Stannanes (R3EH) To Produce Trimethylamine and Group 14 Thioethers (R3E‒S‒ER3)","Organometallics","2011","30","24","6506","","10.1021/om200753t","","","0.71073","MoKα","","0.0624","0.0434","","","0.2031","0.2131","","","","","","1.394","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065379","11.9613","0.0004","12.9113","0.0005","18.9275","0.0007","90","","91.215","0.002","90","","2922.43","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2a-1464 (ON-Ph) (2a)","(2-Pyridylamino)diphenylphosphinoxide","","- C17 H15 N2 O P -","- C17 H15 N2 O P -","- C136 H120 N16 O8 P8 -","8","2","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0432","0.0372","","","0.0958","0.1013","","","","","","1.048","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065380","35.268","0.005","7.6415","0.001","20.441","0.003","90","","115.955","0.001","90","","4953.2","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2b-1478 (ON-iPr) (2b)","(2-Pyridylamino)diispropylphosphinoxide","","- C11 H19 N2 O P -","- C11 H19 N2 O P -","- C176 H304 N32 O16 P16 -","16","2","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0444","0.034","","","0.088","0.0961","","","","","","1.035","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065381","8.9797","0.0003","16.9905","0.0007","13.9851","0.0006","90","","104.568","0.002","90","","2065.1","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","7b-1510 [Pd(eta3-CH2CMeCH2)(PN-iPr)]SbF6 (7b)","","","- C15 H26 F6 N2 P Pd Sb -","- C15 H26 F6 N2 P Pd Sb -","- C60 H104 F24 N8 P4 Pd4 Sb4 -","4","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0183","0.0176","","","0.046","0.0464","","","","","","1.063","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065382","9.1626","0.0001","18.7195","0.0002","14.8752","0.0002","90","","96.256","0.001","90","","2536.19","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","8b-1542 [Pd(eta3-CHPhCHCH2)(PN-iPr)]SbF6 (8b)","","","- C20 H28 F6 N2 P Pd Sb -","- C20 H28 F6 N2 P Pd Sb -","- C80 H112 F24 N8 P4 Pd4 Sb4 -","4","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0604","0.0456","","","0.1146","0.1287","","","","","","1.058","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065383","11.3272","0.0004","11.4366","0.0004","12.2868","0.0004","77.645","0.002","64.835","0.002","84.576","0.002","1407.24","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","9-1536 [Pd(eta3-CHPhCHCHPh)(PN-iPr)]SbF6 (9)","","","- C26 H32 F6 N2 P Pd Sb -","- C26 H32 F6 N2 P Pd Sb -","- C52 H64 F12 N4 P2 Pd2 Sb2 -","2","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0294","0.025","","","0.0606","0.0623","","","","","","1.069","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065384","13.2213","0.0002","10.8155","0.0002","14.4629","0.0003","90","","95.538","0.001","90","","2058.47","0.07","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","10-1534 [Pd(eta3-CH2CHCH2)(ON-iPr)]SbF6 (10)","","","- C14 H24 F6 N2 O P Pd Sb -","- C14 H24 F6 N2 O P Pd Sb -","- C56 H96 F24 N8 O4 P4 Pd4 Sb4 -","4","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0164","0.0157","","","0.0398","0.0401","","","","","","1.117","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065385","7.8285","0.0002","9.4411","0.0003","14.6942","0.0004","99.916","0.001","100.863","0.001","101.879","0.001","1018.27","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","14b-1519 [Pd(eta3-CH2CHCH2)(SN-iPr)]CF3SO3 (14b)","","","- C15 H24 F3 N2 O3 P Pd S2 -","- C15 H24 F3 N2 O3 P Pd S2 -","- C30 H48 F6 N4 O6 P2 Pd2 S4 -","2","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0217","0.0208","","","0.0546","0.0551","","","","","","1.052","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065386","9.8095","0.0005","10.8865","0.0005","13.1649","0.0006","67.873","0.002","70.59","0.002","88.22","0.002","1221.19","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","15a-1509 [Pd(eta3-CH2CMeCH2)(SN-Ph)]SbF6 (15a)","","","- C21 H22 F6 N2 P Pd S Sb -","- C21 H22 F6 N2 P Pd S Sb -","- C42 H44 F12 N4 P2 Pd2 S2 Sb2 -","2","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0269","0.024","","","0.0567","0.0585","","","","","","1.048","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065387","13.848","0.0005","10.5607","0.0004","14.5642","0.0006","90","","94.468","0.002","90","","2123.46","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","15b-1508 [Pd(eta3-CH2CMeCH2)(SN-iPr)]SbF6 (15b)","","","- C15 H26 F6 N2 P Pd S Sb -","- C15 H26 F6 N2 P Pd S Sb -","- C60 H104 F24 N8 P4 Pd4 S4 Sb4 -","4","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0221","0.0195","","","0.0481","0.0496","","","","","","1.027","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065388","7.8109","0.0006","9.5088","0.0007","14.7131","0.001","99.423","0.003","100.778","0.002","101.874","0.003","1027.03","0.13","100","2","100","2","","","","","","","","9","P -1","-P 1","2","17b-1503 [Pd(eta3-CH2CHCH2)(SeN-iPr)]CF3SO3 (17b)","","","- C15 H24 F3 N2 O3 P Pd S Se -","- C15 H24 F3 N2 O3 P Pd S Se -","- C30 H48 F6 N4 O6 P2 Pd2 S2 Se2 -","2","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0178","0.0175","","","0.045","0.0451","","","","","","1.085","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065389","9.8199","0.0008","14.6422","0.0012","31.073","0.003","90","","96.241","0.003","90","","4441.4","0.7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","18-1540 [Pd(eta3-CH2CMeCH2)(kappa1(N)-ON-Ph)Cl].1/2CH2Cl2 (18)","","","- C43 H46 Cl4 N4 O2 P2 Pd2 -","- C43 H46 Cl4 N4 O2 P2 Pd2 -","- C172 H184 Cl16 N16 O8 P8 Pd8 -","4","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.0197","0.0196","","","0.0523","0.0524","","","","","","1.127","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065390","7.8703","0.0001","8.5833","0.0001","12.7495","0.0002","80.498","0.001","86.64","0.001","71.946","0.001","807.6","0.02","100","2","100","2","","","","","","","","6","P -1","-P 1","2","19-1522 [Pd(eta3-CH2CHCH2)(SN^dep^-iPr)] (19)","","","- C14 H23 N2 P Pd S -","- C13.997 H23 N2 P Pd S -","- C27.994 H46 N4 P2 Pd2 S2 -","2","1","","Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.","Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes","Organometallics","2011","30","21","5928","","10.1021/om200766y","","","0.71073","MoKα","","0.019","0.0185","","","0.0486","0.0489","","","","","","1.098","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065391","14.32","0.02","8.68","0.02","23.3","0.02","90","","104.53","0.1","90","","2804","8","293","2","293","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 Cl3 K O6 Pt -","- C19 H36 Cl3 K O6 Pt -","- C76 H144 Cl12 K4 O24 Pt4 -","4","1","","König, Anja; Bette, Martin; Wagner, Christoph; Lindner, Ronald; Steinborn, Dirk","On the Equilibrium between Alkyne and Olefin Platinum(II) Complexes of Zeise’s Salt Type: Syntheses and Characterization of [K(18C6)][PtCl3(RC≡CR′)]","Organometallics","2011","30","21","5919","","10.1021/om200767q","","","0.71073","MoKα","","0.1086","0.056","","","0.0753","0.09","","","","","","1.289","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065392","16.957","0.002","8.706","0.0012","22.118","0.0014","90","","110.635","0.009","90","","3055.7","0.6","293","2","293","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Cl3 K O6 Pt -","- C22 H42 Cl3 K O6 Pt -","- C88 H168 Cl12 K4 O24 Pt4 -","4","1","","König, Anja; Bette, Martin; Wagner, Christoph; Lindner, Ronald; Steinborn, Dirk","On the Equilibrium between Alkyne and Olefin Platinum(II) Complexes of Zeise’s Salt Type: Syntheses and Characterization of [K(18C6)][PtCl3(RC≡CR′)]","Organometallics","2011","30","21","5919","","10.1021/om200767q","","","0.71073","MoKα","","0.0925","0.052","","","0.0993","0.1224","","","","","","1.114","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065393","9.8039","0.0006","9.8499","0.0008","28.3364","0.0018","90","","90","","90","","2736.4","0.3","293","2","293","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl3 K O6 Pt -","- C21 H28 Cl3 K O6 Pt -","- C84 H112 Cl12 K4 O24 Pt4 -","4","1","","König, Anja; Bette, Martin; Wagner, Christoph; Lindner, Ronald; Steinborn, Dirk","On the Equilibrium between Alkyne and Olefin Platinum(II) Complexes of Zeise’s Salt Type: Syntheses and Characterization of [K(18C6)][PtCl3(RC≡CR′)]","Organometallics","2011","30","21","5919","","10.1021/om200767q","","","0.71073","MoKα","","0.0601","0.0384","","","0.0741","0.0834","","","","","","1.068","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065394","8.257","0.0006","12.1652","0.0007","26.975","0.002","90","","90","","90","","2709.6","0.3","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 Cl3 K O6 Pt -","- C20 H36 Cl3 K O6 Pt -","- C80 H144 Cl12 K4 O24 Pt4 -","4","1","","König, Anja; Bette, Martin; Wagner, Christoph; Lindner, Ronald; Steinborn, Dirk","On the Equilibrium between Alkyne and Olefin Platinum(II) Complexes of Zeise’s Salt Type: Syntheses and Characterization of [K(18C6)][PtCl3(RC≡CR′)]","Organometallics","2011","30","21","5919","","10.1021/om200767q","","","0.71073","MoKα","","0.0454","0.0392","","","0.0939","0.0971","","","","","","1.052","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065395","12.0338","0.0008","5.8357","0.0003","22.778","0.002","90","","98.951","0.003","90","","1580.12","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br O Se -","- C17 H17 Br O Se -","- C68 H68 Br4 O4 Se4 -","4","1","","Taher, Deeb; Corrigan, John F.","Aryl(trimethylsilyl)selenides as Reagents for the Synthesis of Mono- and Diselenoesters","Organometallics","2011","30","21","5943","","10.1021/om200768m","","","0.71073","MoKα","","0.1507","0.0485","","","0.0961","0.1268","","","","","","0.926","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065396","8.4304","0.0003","8.4811","0.0004","14.8491","0.0006","90","","100.941","0.002","90","","1042.4","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O2 Se2 -","- C24 H22 O2 Se2 -","- C48 H44 O4 Se4 -","2","0.5","","Taher, Deeb; Corrigan, John F.","Aryl(trimethylsilyl)selenides as Reagents for the Synthesis of Mono- and Diselenoesters","Organometallics","2011","30","21","5943","","10.1021/om200768m","","","0.71073","MoKα","","0.0463","0.0345","","","0.0848","0.0903","","","","","","1.043","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065397","21.5761","0.0008","5.6","0.0002","12.6532","0.0006","90","","95.295","0.002","90","","1522.31","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Br2 Fe O2 Se2 -","- C32 H32 Br2 Fe O2 Se2 -","- C64 H64 Br4 Fe2 O4 Se4 -","2","0.5","","Taher, Deeb; Corrigan, John F.","Aryl(trimethylsilyl)selenides as Reagents for the Synthesis of Mono- and Diselenoesters","Organometallics","2011","30","21","5943","","10.1021/om200768m","","","0.71073","MoKα","","0.0824","0.0487","","","0.1167","0.129","","","","","","1.048","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065398","7.9348","0.0006","11.5667","0.0007","19.5538","0.0009","103.036","0.004","94.354","0.003","102.575","0.003","1691.63","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H34 Br2 Cl2 O2 Se2 -","- C35 H34 Br2 Cl2 O2 Se2 -","- C70 H68 Br4 Cl4 O4 Se4 -","2","1","","Taher, Deeb; Corrigan, John F.","Aryl(trimethylsilyl)selenides as Reagents for the Synthesis of Mono- and Diselenoesters","Organometallics","2011","30","21","5943","","10.1021/om200768m","","","0.71073","MoKα","","0.1467","0.054","","","0.1063","0.1336","","","","","","0.966","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065399","10.5264","0.0004","15.3887","0.0004","16.0798","0.0006","90","","90","","90","","2604.73","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O2 Se3 Si -","- C25 H28 O2 Se3 Si -","- C100 H112 O8 Se12 Si4 -","4","1","","Taher, Deeb; Corrigan, John F.","Aryl(trimethylsilyl)selenides as Reagents for the Synthesis of Mono- and Diselenoesters","Organometallics","2011","30","21","5943","","10.1021/om200768m","","","0.71073","MoKα","","0.1217","0.0895","","","0.2228","0.2482","","","","","","1.077","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065400","14.383","0.003","14.605","0.003","20.451","0.004","90","","90","","90","","4296","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 N Zr -","- C17 H25 B10 N Zr -","- C136 H200 B80 N8 Zr8 -","8","1","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0996","0.0405","","","0.0968","0.1342","","","","","","1.036","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065401","10.4902","0.0014","10.6054","0.0015","11.0924","0.0015","90","","109.053","0.002","90","","1166.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H29 B10 N Zr -","- C19 H29 B10 N Zr -","- C38 H58 B20 N2 Zr2 -","2","0.5","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0473","0.0441","","","0.1163","0.1221","","","","","","1.194","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065402","10.811","0.003","10.573","0.003","14.089","0.004","90","","112.161","0.004","90","","1491.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H27 B10 N Zr -","- C21 H27 B10 N Zr -","- C42 H54 B20 N2 Zr2 -","2","0.5","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0644","0.0516","","","0.1336","0.1401","","","","","","1.088","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065403","15.571","0.003","15.993","0.003","10.2276","0.0018","90","","90","","90","","2546.9","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H29 B10 N Zr -","- C25 H29 B10 N Zr -","- C100 H116 B40 N4 Zr4 -","4","0.5","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0371","0.0308","","","0.0778","0.0851","","","","","","1.044","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065404","12.8057","0.0004","28.1392","0.0008","8.4877","0.0002","90","","120.85","","90","","2625.74","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H33 B10 N Zr -","- C23 H33 B10 N Zr -","- C92 H132 B40 N4 Zr4 -","4","1","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.03","0.0263","","","0.0666","0.0702","","","","","","1.014","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065405","10.98","0.02","20.13","0.04","13.07","0.02","90","","111.14","0.03","90","","2694","8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 B10 N Zr -","- C23 H33 B10 N Zr -","- C92 H132 B40 N4 Zr4 -","4","1","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.1815","0.1158","","","0.308","0.3777","","","","","","1.18","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065406","10.3747","0.0012","23.269","0.003","11.4809","0.0012","90","","108.179","0.003","90","","2633.3","0.5","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H29 B10 N Zr -","- C25 H29 B10 N Zr -","- C100 H116 B40 N4 Zr4 -","4","2","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.1235","0.0603","","","0.0999","0.1261","","","","","","0.997","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065407","22.782","0.004","11.675","0.002","6.5301","0.0012","90","","90","","90","","1736.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 B10 N -","- C15 H21 B10 N -","- C60 H84 B40 N4 -","4","1","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0683","0.0504","","","0.1316","0.1461","","","","","","1.028","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065408","10.1236","0.0004","19.5596","0.0009","12.1677","0.0005","90","","92.3848","0.0016","90","","2407.28","0.18","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 B10 Ta -","- C20 H37 B10 Ta -","- C80 H148 B40 Ta4 -","4","1","","Tsurugi, Hayato; Qiu, Zaozao; Yamamoto, Koji; Arteaga-Müller, Rocio; Mashima, Kazushi; Xie, Zuowei","Synthesis and Reaction of Neutral and Cationic Alkyltantalum Complexes with a Linked Cyclopentadienyl-Carboranyl Ligand","Organometallics","2011","30","21","5960","","10.1021/om200773m","","","0.71075","MoKα","","0.0337","0.0276","","","0.0685","0.0739","","","","","","0.841","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065409","10.0569","0.0003","12.5761","0.0004","17.6838","0.0005","73.0636","0.001","84.173","0.001","79.8577","0.001","2103.15","0.11","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H69 B10 N4 Ta -","- C38 H69 B10 N4 Ta -","- C76 H138 B20 N8 Ta2 -","2","1","","Tsurugi, Hayato; Qiu, Zaozao; Yamamoto, Koji; Arteaga-Müller, Rocio; Mashima, Kazushi; Xie, Zuowei","Synthesis and Reaction of Neutral and Cationic Alkyltantalum Complexes with a Linked Cyclopentadienyl-Carboranyl Ligand","Organometallics","2011","30","21","5960","","10.1021/om200773m","","","0.71075","MoKα","","0.047","0.0393","","","0.103","0.1109","","","","","","1.18","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065410","10.72858","0.00019","18.3278","0.0004","18.7448","0.0004","90","","90","","90","","3685.81","0.13","113","","113","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H61 B10 N4 O Ta -","- C30 H61 B10 N4 O Ta -","- C120 H244 B40 N16 O4 Ta4 -","4","1","","Tsurugi, Hayato; Qiu, Zaozao; Yamamoto, Koji; Arteaga-Müller, Rocio; Mashima, Kazushi; Xie, Zuowei","Synthesis and Reaction of Neutral and Cationic Alkyltantalum Complexes with a Linked Cyclopentadienyl-Carboranyl Ligand","Organometallics","2011","30","21","5960","","10.1021/om200773m","","","0.71075","MoKα","","0.0298","0.0282","","","0.0678","0.0685","","","","","","1.04","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065411","10.9495","0.0003","16.0243","0.0005","16.2839","0.0005","102.081","0.001","105.684","0.0009","99.3235","0.001","2616.33","0.14","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H43 B10 N2 Ta -","- C20 H43 B10 N2 Ta -","- C80 H172 B40 N8 Ta4 -","4","2","","Tsurugi, Hayato; Qiu, Zaozao; Yamamoto, Koji; Arteaga-Müller, Rocio; Mashima, Kazushi; Xie, Zuowei","Synthesis and Reaction of Neutral and Cationic Alkyltantalum Complexes with a Linked Cyclopentadienyl-Carboranyl Ligand","Organometallics","2011","30","21","5960","","10.1021/om200773m","","","0.71075","MoKα","","0.0328","0.0275","","","0.0714","0.0754","","","","","","1.107","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065412","9.9337","0.0002","13.4448","0.0003","14.1447","0.001","67.07","0.005","78.111","0.005","73.844","0.005","1660.93","0.15","85","2","85","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H35 Cl F3 N5 O2 Pd S -","- C33 H35 Cl F3 N5 O2 Pd S -","- C66 H70 Cl2 F6 N10 O4 Pd2 S2 -","2","1","","Maleckis, Ansis; Sanford, Melanie S.","Facial Tridentate Ligands for Stabilizing Palladium(IV) Complexes","Organometallics","2011","30","24","6617","","10.1021/om200779j","","","1.54178","CuKα","","0.0273","0.027","","","0.0694","0.0696","","","","","","1.056","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065413","9.8196","0.0002","19.3578","0.0004","21.485","0.0015","90","","98.596","0.007","90","","4038.1","0.3","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H29 Cl9 F3 N3 O2 Pd -","- C34 H26 F3 N3 O2 Pd -","- C136 H104 F12 N12 O8 Pd4 -","4","1","","Maleckis, Ansis; Sanford, Melanie S.","Facial Tridentate Ligands for Stabilizing Palladium(IV) Complexes","Organometallics","2011","30","24","6617","","10.1021/om200779j","","","1.54178","CuKα","","0.0556","0.0524","","","0.1316","0.1331","","","","","","1.097","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065414","9.6736","0.0002","11.0702","0.0002","11.2344","0.0008","73.482","0.005","75.138","0.005","73.681","0.005","1086.38","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.94 H23 F2.82 I0.06 N2 Pd -","- C25.941 H23 F2.823 I0.059 N2 Pd -","- C51.882 H46 F5.646 I0.118 N4 Pd2 -","2","1","","Maleckis, Ansis; Sanford, Melanie S.","Facial Tridentate Ligands for Stabilizing Palladium(IV) Complexes","Organometallics","2011","30","24","6617","","10.1021/om200779j","","","1.54178","CuKα","","0.0176","0.0173","","","0.0425","0.0427","","","","","","1.034","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065415","17.4944","0.0003","22.1204","0.0004","18.4391","0.0013","90","","114.778","0.008","90","","6478.7","0.6","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H38 F4 N4 O2.5 Pd S -","- C33.5 H38 F4 N4 O2.5 Pd S -","- C268 H304 F32 N32 O20 Pd8 S8 -","8","1","","Maleckis, Ansis; Sanford, Melanie S.","Facial Tridentate Ligands for Stabilizing Palladium(IV) Complexes","Organometallics","2011","30","24","6617","","10.1021/om200779j","","","1.54178","CuKα","","0.0482","0.047","","","0.117","0.1181","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065416","13.0435","0.0009","10.3684","0.0007","9.7799","0.0007","90","","100.889","0.002","90","","1298.82","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(3,3-dimethoxypropylbenzene)RuCl2]2","","","- C22 H32 Cl4 O4 Ru2 -","- C22 H32 Cl4 O4 Ru2 -","- C44 H64 Cl8 O8 Ru4 -","2","0.5","","Tan, Yu Qian; Dyson, Paul J.; Ang, Wee Han","Acetal-Functionalized RAPTA Complexes for Conjugation and Labeling","Organometallics","2011","30","21","5965","","10.1021/om200783r","","x-ray","0.71073","MoKα","","0.0524","0.0352","","","0.0815","0.0898","","","","","","1.038","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065417","14.922","0.004","10.535","0.003","9.7","0.003","90","","104.268","0.006","90","","1477.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(3,3-diethoxypropylbenzene)RuCl2]2","","","- C26 H40 Cl4 O4 Ru2 -","- C26 H40 Cl4 O4 Ru2 -","- C52 H80 Cl8 O8 Ru4 -","2","0.5","","Tan, Yu Qian; Dyson, Paul J.; Ang, Wee Han","Acetal-Functionalized RAPTA Complexes for Conjugation and Labeling","Organometallics","2011","30","21","5965","","10.1021/om200783r","","x-ray","0.71073","MoKα","","0.0988","0.0572","","","0.1643","0.1957","","","","","","1.009","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065418","13.8","0.002","11.815","0.002","26.418","0.004","90","","90","","90","","4307.4","1.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[(3,3-diethoxypropylbenzene)RuCl2(pta)]","","","- C19 H32 Cl2 N3 O2 P Ru -","- C19 H32 Cl2 N3 O2 P Ru -","- C152 H256 Cl16 N24 O16 P8 Ru8 -","8","1","","Tan, Yu Qian; Dyson, Paul J.; Ang, Wee Han","Acetal-Functionalized RAPTA Complexes for Conjugation and Labeling","Organometallics","2011","30","21","5965","","10.1021/om200783r","","x-ray","0.71073","MoKα","","0.0502","0.0423","","","0.0896","0.092","","","","","","1.218","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065419","14.457","0.005","16.321","0.006","17.358","0.007","90","","90","","90","","4096","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl0 Mo N6 O4 -","- C20 H14 Mo N6 O4 -","- C160 H112 Mo8 N48 O32 -","8","1","","Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Bubrin, Denis; Fiedler, Jan; Kaim, Wolfgang","Separation of Metal Binding and Electron Transfer Sites as a Strategy To Stabilize the Ligand-Reduced and Metal-Oxidized Form of [Mo(CO)4L]","Organometallics","2011","30","23","6441","","10.1021/om2007858","","","0.71073","MoKα","","0.105","0.0464","","","0.0918","0.1005","","","","","","0.697","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065420","10.8275","0.0003","11.097","0.0003","15.3342","0.0004","87.467","0.001","84.997","0.001","74.43","0.002","1767.66","0.08","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H116 Li4 N4 O8 -","- C66 H116 Li4 N4 O8 -","- C66 H116 Li4 N4 O8 -","1","0.5","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.0789","0.0588","","","0.1478","0.1625","","","","","","1.043","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065421","13.8435","0.0007","18.9577","0.0009","40.02","0.002","90","","90","","90","","10502.9","0.9","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C55 H86 Li2 N2 O5 -","- C55 H86 Li2 N2 O5 -","- C440 H688 Li16 N16 O40 -","8","1","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.1657","0.0886","","","0.2188","0.2657","","","","","","1.043","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065422","33.412","0.002","15.6625","0.0012","31.822","0.002","90","","117.367","0.002","90","","14789.2","1.7","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H64 Cl2 N2 O3 Y -","- C43 H64 Cl2 N2 O3 Y -","- C344 H512 Cl16 N16 O24 Y8 -","8","1","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.142","0.0658","","","0.1586","0.1755","","","","","","0.868","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065423","18.4284","0.0016","14.7704","0.0011","27.969","0.002","90","","96.778","0.003","90","","7559.8","1","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H104 N6 O2 Si4 Y2 -","- C54 H104 N6 O2 Si4 Y2 -","- C216 H416 N24 O8 Si16 Y8 -","4","1","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.1556","0.069","","","0.1513","0.1711","","","","","","0.937","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065424","15.7656","0.0004","16.5607","0.0005","20.7358","0.0007","69.097","0.002","86.053","0.002","86.704","0.002","5042.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C86 H124 Li N4 O4 Y -","- C86 H124 Li N4 O4 Y -","- C172 H248 Li2 N8 O8 Y2 -","2","1","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.1056","0.0618","","","0.1619","0.1759","","","","","","0.964","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065425","14.7571","0.0014","19.984","0.002","27.048","0.002","86.784","0.004","81.542","0.004","84.192","0.004","7842.5","1.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C66 H120 N6 Nd2 O2 Si4 -","- C66 H120 N6 Nd2 O2 Si4 -","- C264 H480 N24 Nd8 O8 Si16 -","4","2","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.065","0.0539","","","0.1448","0.1535","","","","","","1.107","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065426","15.6864","0.0007","16.1128","0.0006","25.0079","0.0011","90","","107.204","0.002","90","","6038","0.4","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H94 Li N4 O4 Y -","- C58 H94 Li N4 O4 Y -","- C232 H376 Li4 N16 O16 Y4 -","4","0.5","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.1301","0.0583","","","0.1186","0.1486","","","","","","0.978","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065427","26.14","0.0008","13.6646","0.0004","20.0256","0.0007","90","","90","","90","","7153","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C62 H122 Li2 N8 O3 Y2 -","- C62 H122 Li2 N8 O3 Y2 -","- C248 H488 Li8 N32 O12 Y8 -","4","0.5","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","","0.71073","MoKα","","0.0671","0.0416","","","0.1007","0.1093","","","","","","1.051","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065428","16.027","0.0005","16.3902","0.0007","17.5819","0.0007","89.139","0.002","78.449","0.002","83.931","0.002","4499.5","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C74 H138 Li2 N8 O3 Y2 -","- C74 H138 Li2 N8 O3 Y2 -","- C148 H276 Li4 N16 O6 Y4 -","2","1","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.1005","0.0624","","","0.1594","0.1705","","","","","","1.059","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065429","19.4556","0.0007","18.6027","0.0006","20.1956","0.0007","90","","102.703","0.001","90","","7130.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H118 Li2 N8 O5 Yb2 -","- C60 H118 Li2 N8 O5 Yb2 -","- C240 H472 Li8 N32 O20 Yb8 -","4","1","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","","0.71073","MoKα","","0.041","0.0309","","","0.0795","0.0853","","","","","","1.081","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065430","9.1977","0.0011","10.6882","0.0012","16.4213","0.0018","99.766","0.008","100.042","0.008","97.953","0.008","1542.9","0.3","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H30 B F4 N O P2 Pt -","- C33 H30 B F4 N O P2 Pt -","- C66 H60 B2 F8 N2 O2 P4 Pt2 -","2","1","","Carlisle, Spring; Matta, Angel; Valles, Homer; Bracken, Jason B.; Miranda, Mayra; Yoo, Jinah; Hahn, Christine","Water Addition to Alkynes Promoted by a Dicationic Platinum(II) Complex","Organometallics","2011","30","23","6446","","10.1021/om2007908","","","1.54184","CuKα","","0.026","0.0229","","","0.054","0.0549","","","","","","1.003","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065431","18.173","0.003","9.9599","0.0018","21.092","0.004","90","","114.944","0.002","90","","3461.6","1.1","110","2","110","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H33 B Cl F4 N O P2 Pt -","- C34.5 H33 B Cl F4 N O P2 Pt -","- C138 H132 B4 Cl4 F16 N4 O4 P8 Pt4 -","4","1","","Carlisle, Spring; Matta, Angel; Valles, Homer; Bracken, Jason B.; Miranda, Mayra; Yoo, Jinah; Hahn, Christine","Water Addition to Alkynes Promoted by a Dicationic Platinum(II) Complex","Organometallics","2011","30","23","6446","","10.1021/om2007908","","","0.71073","MoKα","","0.0961","0.0551","","","0.1151","0.1336","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065432","17.3739","0.0004","20.9402","0.0004","19.1287","0.0003","90","","97.8271","0.0017","90","","6894.4","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Br4 Cu4 O4 P4 -","- C72 H60 Br4 Cu4 O4 P4 -","- C288 H240 Br16 Cu16 O16 P16 -","4","1","","Lal, Steven; McNally, Jayne; White, Andrew J. P.; Díez-González, Silvia","Novel Phosphinite and Phosphonite Copper(I) Complexes: Efficient Catalysts for Click Azide‒Alkyne Cycloaddition Reactions","Organometallics","2011","30","22","6225","","10.1021/om200791u","","","0.71073","MoKα","","0.077","0.0311","","","0.052","0.0559","","","","","","0.868","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065433","17.74221","0.00006","19.8186","0.00007","19.90005","0.00008","90","","90.2469","0.0003","90","","6997.31","0.04","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Cl4 Cu4 O8 P4 -","- C72 H60 Cl4 Cu4 O8 P4 -","- C288 H240 Cl16 Cu16 O32 P16 -","4","1","","Lal, Steven; McNally, Jayne; White, Andrew J. P.; Díez-González, Silvia","Novel Phosphinite and Phosphonite Copper(I) Complexes: Efficient Catalysts for Click Azide‒Alkyne Cycloaddition Reactions","Organometallics","2011","30","22","6225","","10.1021/om200791u","","","1.54184","CuKα","","0.0693","0.0627","","","0.1881","0.194","","","","","","1.103","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065434","16.73268","0.00009","16.73268","0.00009","15.88529","0.00013","90","","90","","90","","4447.6","0.05","173","","173","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H44 Br4 Cu4 O8 P4 -","- C32 H44 Br4 Cu4 O8 P4 -","- C128 H176 Br16 Cu16 O32 P16 -","4","0.25","","Lal, Steven; McNally, Jayne; White, Andrew J. P.; Díez-González, Silvia","Novel Phosphinite and Phosphonite Copper(I) Complexes: Efficient Catalysts for Click Azide‒Alkyne Cycloaddition Reactions","Organometallics","2011","30","22","6225","","10.1021/om200791u","","","1.54184","CuKα","","0.0271","0.0247","","","0.0617","0.0631","","","","","","1.053","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065435","12.9911","0.0003","20.6763","0.0006","27.389","0.0011","90","","95.656","0.003","90","","7321.1","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H68 Br4 Cu4 O8 P4 -","- C76 H68 Br4 Cu4 O8 P4 -","- C304 H272 Br16 Cu16 O32 P16 -","4","1","","Lal, Steven; McNally, Jayne; White, Andrew J. P.; Díez-González, Silvia","Novel Phosphinite and Phosphonite Copper(I) Complexes: Efficient Catalysts for Click Azide‒Alkyne Cycloaddition Reactions","Organometallics","2011","30","22","6225","","10.1021/om200791u","","","0.71073","MoKα","","0.0726","0.0429","","","0.0809","0.0882","","","","","","1.056","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065436","19.3773","0.0004","16.4639","0.0003","24.1055","0.0006","90","","110.447","0.003","90","","7205.8","0.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H68 Br4 Cu4 O8 P4 -","- C76 H68 Br4 Cu4 O8 P4 -","- C304 H272 Br16 Cu16 O32 P16 -","4","0.5","","Lal, Steven; McNally, Jayne; White, Andrew J. P.; Díez-González, Silvia","Novel Phosphinite and Phosphonite Copper(I) Complexes: Efficient Catalysts for Click Azide‒Alkyne Cycloaddition Reactions","Organometallics","2011","30","22","6225","","10.1021/om200791u","","","0.71073","MoKα","","0.0566","0.0345","","","0.0798","0.0856","","","","","","1.1","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065437","10.3051","0.0005","20.6989","0.0009","34.9514","0.0015","90","","98.466","0.002","90","","7374","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B F4 N2 Rh -","- C12 H18 B F4 N2 Rh -","- C240 H360 B20 F80 N40 Rh20 -","20","5","","Kang, Sung Ok; Lynch, Vincent M.; Day, Victor W.; Anslyn, Eric V.","Enthalpy vs Entropy Driven Complexation of Homoallylic Alcohols by Rh(I) Complexes.","Organometallics","2011","30","22","6233","6240","10.1021/om200793p","","","1.54178","CuKα","","0.0995","0.049","","","0.1364","0.1587","","","","","","1.075","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065438","17.831","0.0008","14.923","0.0007","18.082","0.0008","90","","90","","90","","4811.5","0.4","138","2","138","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H36 F3 O3 P Ru S -","- C20 H36 F3 O3 P Ru S -","- C160 H288 F24 O24 P8 Ru8 S8 -","8","1","","Fasulo, Meg E.; Glaser, Paul B.; Tilley, T. Don","Cp*(PiPr3)RuOTf: A Reagent for Access to Ruthenium Silylene Complexes","Organometallics","2011","30","20","5524","","10.1021/om200795x","","","0.71073","MoKα","","0.0597","0.0345","","","0.0689","0.0767","","","","","","1.02","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065439","11.229","0.005","16.346","0.005","18.968","0.005","94.961","0.005","96.981","0.005","95.277","0.005","3424","2","143","2","143","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H96 F5 O7 P2 Ru2 S2 Si2 -","- C64 H96 F5 O7 P2 Ru2 S2 Si2 -","- C128 H192 F10 O14 P4 Ru4 S4 Si4 -","2","1","","Fasulo, Meg E.; Glaser, Paul B.; Tilley, T. Don","Cp*(PiPr3)RuOTf: A Reagent for Access to Ruthenium Silylene Complexes","Organometallics","2011","30","20","5524","","10.1021/om200795x","","","0.71069","MoKα","","0.0817","0.0509","","","0.1114","0.1305","","","","","","1.028","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065440","13.379","0.005","15.329","0.006","16.376","0.007","90","","94.721","0.005","90","","3347","2","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 F3 O3 P Ru S Si -","- C32 H46 F3 O3 P Ru S Si -","- C128 H184 F12 O12 P4 Ru4 S4 Si4 -","4","1","","Fasulo, Meg E.; Glaser, Paul B.; Tilley, T. Don","Cp*(PiPr3)RuOTf: A Reagent for Access to Ruthenium Silylene Complexes","Organometallics","2011","30","20","5524","","10.1021/om200795x","","","0.71073","MoKα","","0.0305","0.0261","","","0.0593","0.0626","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065441","8.902","0.005","12.776","0.005","13.799","0.005","90","","110.321","0.005","90","","1471.7","1.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(dimethyl-(Z)-2-ferrocenyl-1-butenedioate)mercury","","","- C32 H30 Fe2 Hg O8 -","- C32 H30 Fe2 Hg O8 -","- C64 H60 Fe4 Hg2 O16 -","2","0.5","","Solntsev, Pavlo V.; Goetsch, Wil R.; Nemykin, Victor N.","Formation of an Unexpected Organometallic Mercury Compound in a Palladium-Catalyzed Reaction","Organometallics","2011","30","24","6636","","10.1021/om200801m","","","1.54178","CuKα","","0.024","0.0224","","","0.0549","0.0563","","","","","","1.055","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065442","9.532","0.0005","7.783","0.0003","12.419","0.0011","90","","126.384","0.005","90","","741.73","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","diferrocene","diferrocene","","- C20 H18 Fe2 -","- C20 H18 Fe2 -","- C40 H36 Fe4 -","2","0.5","","Solntsev, Pavlo V.; Goetsch, Wil R.; Nemykin, Victor N.","Formation of an Unexpected Organometallic Mercury Compound in a Palladium-Catalyzed Reaction","Organometallics","2011","30","24","6636","","10.1021/om200801m","","","0.71075","MoKα","","0.035","0.0241","","","0.051","0.0553","","","","","","1.083","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065443","20.096","0.013","7.401","0.005","22.203","0.015","90","","90","","90","","3302","4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H44 Cl2 N2 O2 P2 Pd2 -","- C30 H44 Cl2 N2 O2 P2 Pd2 -","- C120 H176 Cl8 N8 O8 P8 Pd8 -","4","1","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.0689","0.0556","","","0.135","0.1441","","","","","","1.057","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065444","23.037","0.011","13.509","0.006","14.442","0.007","90","","103.707","0.005","90","","4366","4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H58 Cl2 N4 P2 Pd2 -","- C44 H58 Cl2 N4 P2 Pd2 -","- C176 H232 Cl8 N16 P8 Pd8 -","4","0.5","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.0262","0.0228","","","0.0554","0.0568","","","","","","1.059","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065445","7.757","0.003","13.319","0.005","14.878","0.005","97.967","0.004","96.749","0.004","98.808","0.004","1489.1","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","PNNPdCl C4 dimer","","","- C64 H80 Cl2 N4 P2 Pd2 -","- C64 H80 Cl2 N4 P2 Pd2 -","- C64 H80 Cl2 N4 P2 Pd2 -","1","0.5","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.0429","0.0369","","","0.0966","0.1008","","","","","","1.054","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065446","22.247","0.008","21.245","0.008","14.767","0.006","90","","128.243","0.004","90","","5482","4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H64 N4 O4 P2 Pd2 -","- C48 H64 N4 O4 P2 Pd2 -","- C192 H256 N16 O16 P8 Pd8 -","4","0.5","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.0311","0.0256","","","0.0679","0.0701","","","","","","1.072","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4065447","16.569","0.006","13.748","0.005","16.022","0.006","90","","90.617","0.004","90","","3649","2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 F3 N2 O5 P2 Pd2 S -","- C29 H41 F3 N2 O5 P2 Pd2 S -","- C116 H164 F12 N8 O20 P8 Pd8 S4 -","4","1","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.1009","0.0635","","","0.16","0.1776","","","","","","0.981","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065448","20.882","0.005","13.676","0.003","25.112","0.006","90","","102.349","0.003","90","","7006","3","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 F3 N2 O5 P2 Pd2 S -","- C31 H45 F3 N2 O5 P2 Pd2 S -","- C248 H360 F24 N16 O40 P16 Pd16 S8 -","8","2","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.077","0.0431","","","0.096","0.1121","","","","","","1.018","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065449","16.545","0.006","24.021","0.009","25.028","0.009","90","","90","","90","","9947","6","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H62 F3 N4 O3 P2 Pd2 S -","- C48 H62 F3 N4 O3 P2 Pd2 S -","- C384 H496 F24 N32 O24 P16 Pd16 S8 -","8","1","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.0903","0.0469","","","0.0936","0.1118","","","","","","1.02","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065450","31.487","0.014","10.73","0.005","33.438","0.015","90","","102.072","0.005","90","","11047","9","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C112 H145 F9 N8 O6 P4 Pd4 S2 -","- C112 H145 F9 N8 O6 P4 Pd4 S2 -","- C448 H580 F36 N32 O24 P16 Pd16 S8 -","4","1","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.0902","0.0594","","","0.121","0.135","","","","","","0.974","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065451","10.2451","0.0003","11.5707","0.0004","19.7004","0.0006","90","","103.599","0.002","90","","2269.87","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H32 B2 N O5 -","- C21 H32 B2 N O5 -","- C84 H128 B8 N4 O20 -","4","0.5","","Arrowsmith, Merle; Hill, Michael S.; Hadlington, Terrance; Kociok-Köhn, Gabriele; Weetman, Catherine","Magnesium-Catalyzed Hydroboration of Pyridines","Organometallics","2011","30","21","5556","","10.1021/om2008138","","","0.71073","MoKα","","0.0865","0.054","","","0.1323","0.1531","","","","","","1.034","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065452","18.067","0.0012","20.6693","0.0014","21.1505","0.0013","90","","103.072","0.003","90","","7693.6","0.9","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Co N2 O3 P3 -","- C44 H40 Co N2 O3 P3 -","- C352 H320 Co8 N16 O24 P24 -","8","2","","Pan, Baofei; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Coordination of an N-Heterocyclic Phosphenium Containing Pincer Ligand to a Co(CO)2Fragment Allows Oxidation To Form an Unusual N-Heterocyclic Phosphinito Species","Organometallics","2011","30","21","5560","","10.1021/om200816p","","","0.71073","MoKα","","0.057","0.0444","","0.1333","0.1087","0.1333","","","","","","1.0096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065453","11.3884","0.0003","12.4056","0.0003","12.8398","0.0004","80.511","0.001","87.769","0.001","69.539","0.001","1675.96","0.08","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Co N2 O3 P3 -","- C40 H32 Co N2 O3 P3 -","- C80 H64 Co2 N4 O6 P6 -","2","1","","Pan, Baofei; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Coordination of an N-Heterocyclic Phosphenium Containing Pincer Ligand to a Co(CO)2Fragment Allows Oxidation To Form an Unusual N-Heterocyclic Phosphinito Species","Organometallics","2011","30","21","5560","","10.1021/om200816p","","","0.71073","MoKα","","0.051","0.0335","","0.0757","0.07","0.0757","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065454","9.7372","0.0006","11.0694","0.0003","15.0935","0.0011","97.558","0.003","103.801","0.005","92.972","0.002","1560.3","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 B Cl2 F10 N -","- C32 H26 B Cl2 F10 N -","- C64 H52 B2 Cl4 F20 N2 -","2","1","","Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","6-Dimethylaminopentafulvene as a Lewis Base Component in Frustrated Lewis Pairs: Reversible Carbon‒Carbon Coupling in FLP Chemistry","Organometallics","2011","30","19","5080","","10.1021/om200818x","","","1.54178","CuKα","","0.0688","0.0628","","","0.1564","0.1623","","","","","","1.049","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065455","10.7403","0.0002","12.594","0.0003","33.042","0.0013","90","","95.562","0.002","90","","4448.3","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H29 B F15 N -","- C41 H29 B F15 N -","- C164 H116 B4 F60 N4 -","4","1","","Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","6-Dimethylaminopentafulvene as a Lewis Base Component in Frustrated Lewis Pairs: Reversible Carbon‒Carbon Coupling in FLP Chemistry","Organometallics","2011","30","19","5080","","10.1021/om200818x","","","1.54178","CuKα","","0.0867","0.0641","","","0.1888","0.2029","","","","","","1.075","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065456","11.4738","0.0004","15.1982","0.0006","19.6143","0.0005","90","","106.833","0.002","90","","3273.81","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H21 B F15 N -","- C36 H21 B F15 N -","- C144 H84 B4 F60 N4 -","4","1","","Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","6-Dimethylaminopentafulvene as a Lewis Base Component in Frustrated Lewis Pairs: Reversible Carbon‒Carbon Coupling in FLP Chemistry","Organometallics","2011","30","19","5080","","10.1021/om200818x","","","1.54178","CuKα","","0.0508","0.044","","","0.1172","0.1236","","","","","","1.009","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065457","9.8241","0.0003","16.4014","0.0006","17.5621","0.0005","90","","103.667","0.002","90","","2749.64","0.15","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 B F10 N -","- C31 H24 B F10 N -","- C124 H96 B4 F40 N4 -","4","1","","Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","6-Dimethylaminopentafulvene as a Lewis Base Component in Frustrated Lewis Pairs: Reversible Carbon‒Carbon Coupling in FLP Chemistry","Organometallics","2011","30","19","5080","","10.1021/om200818x","","","1.54178","CuKα","","0.0683","0.0508","","","0.1202","0.1355","","","","","","1.02","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065458","9.7356","0.0002","13.8046","0.0005","28.0546","0.0011","90","","90","","90","","3770.4","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 B Cl4 F10 N -","- C36 H34 B Cl4 F10 N -","- C144 H136 B4 Cl16 F40 N4 -","4","1","","Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","6-Dimethylaminopentafulvene as a Lewis Base Component in Frustrated Lewis Pairs: Reversible Carbon‒Carbon Coupling in FLP Chemistry","Organometallics","2011","30","19","5080","","10.1021/om200818x","","","1.54178","CuKα","","0.0852","0.0724","","","0.1871","0.2013","","","","","","1.023","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065459","17.9622","0.0004","15.4905","0.0004","26.4982","0.0005","90","","128.031","0.001","90","","5807.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 B F4 N2 Ni O -","- C29 H35 B F4 N2 Ni O -","- C232 H280 B8 F32 N16 Ni8 O8 -","8","2","","Oertel, Anna Magdalena; Ritleng, Vincent; Busiah, Asleche; Veiros, Luis F.; Chetcuti, Michael J.","Double Metalation of Acetone by a Nickel‒NHC Complex: Trapping of an Oxyallyl Ligand at a Dinickel Center","Organometallics","2011","30","23","6495","","10.1021/om200819c","","","0.71073","MoKα","","0.0613","0.0381","","","0.0927","0.1057","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065460","16.231","0.0004","16.2709","0.0004","20.3051","0.0005","90","","115.83","0.002","90","","4826.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H62 N4 Ni2 O -","- C55 H62 N4 Ni2 O -","- C220 H248 N16 Ni8 O4 -","4","1","","Oertel, Anna Magdalena; Ritleng, Vincent; Busiah, Asleche; Veiros, Luis F.; Chetcuti, Michael J.","Double Metalation of Acetone by a Nickel‒NHC Complex: Trapping of an Oxyallyl Ligand at a Dinickel Center","Organometallics","2011","30","23","6495","","10.1021/om200819c","","","0.71073","MoKα","","0.0655","0.0428","","","0.0911","0.0992","","","","","","1.042","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065461","9.4486","0.0002","23.6206","0.0006","9.3608","0.0002","90","","90.187","0.002","90","","2089.15","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 B F4 I2 N6 Pd -","- C13 H17 B F4 I2 N6 Pd -","- C52 H68 B4 F16 I8 N24 Pd4 -","4","1","","Gonell, Sergio; Poyatos, Macarena; Mata, José A.; Peris, Eduardo","A Y-Shaped Tris-N-Heterocyclic Carbene for the Synthesis of Simultaneously Chelate-Monodentate Dipalladium Complexes","Organometallics","2011","30","21","5985","","10.1021/om200820s","","","0.71073","MoKα","","0.049","0.0324","","","0.0624","0.0712","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065462","15.4313","0.0004","20.7211","0.0007","19.7639","0.0005","90","","90","","90","","6319.6","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H26 I4 N7 O0.5 Pd2 -","- C20 H26 I4 N7 O0.5 Pd2 -","- C160 H208 I32 N56 O4 Pd16 -","8","1","","Gonell, Sergio; Poyatos, Macarena; Mata, José A.; Peris, Eduardo","A Y-Shaped Tris-N-Heterocyclic Carbene for the Synthesis of Simultaneously Chelate-Monodentate Dipalladium Complexes","Organometallics","2011","30","21","5985","","10.1021/om200820s","","x-ray","0.71073","MoKα","","0.0638","0.0428","","","0.1104","0.1279","","","","","","1.052","","","","has coordinates","271475","2021-12-16","11:44:29",""
"4065463","19.9629","0.0006","19.0706","0.0006","19.6393","0.0006","90","","90","","90","","7476.8","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H37 N P2 Ru -","- C46 H37 N P2 Ru -","- C368 H296 N8 P16 Ru8 -","8","1","","Hoyle, Marc-André M.; Pantazis, Dimitrios A.; Burton, Hannah M.; McDonald, Robert; Rosenberg, Lisa","Benzonitrile Adducts of Terminal Diarylphosphido Complexes: Preparative Sources of “Ru═PR2”","Organometallics","2011","30","23","6458","","10.1021/om200822e","","","0.71073","MoKα","","0.0473","0.0293","","","0.0622","0.0705","","","","","","1.024","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065464","9.981","0.002","15.019","0.003","19.008","0.004","90","","95.16","0.03","90","","2837.8","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 Li N4 -","- C29 H45 Li N4 -","- C116 H180 Li4 N16 -","4","1","","Choong, Sam L.; Woodul, William D.; Schenk, Christian; Stasch, Andreas; Richards, Anne F.; Jones, Cameron","Synthesis, Characterization, and Reactivity of an N-Heterocyclic Germanium(II) Hydride: Reversible Hydrogermylation of a Phosphaalkyne","Organometallics","2011","30","20","5543","","10.1021/om200823x","","","0.71073","MoKα","","0.0746","0.0553","","","0.148","0.1609","","","","","","1.028","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065465","8.398","0.0017","11.359","0.002","12.178","0.002","93.22","0.03","103.15","0.03","94.16","0.03","1125.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H29 Cl N2 Sn -","- C23 H29 Cl N2 Sn -","- C46 H58 Cl2 N4 Sn2 -","2","1","","Choong, Sam L.; Woodul, William D.; Schenk, Christian; Stasch, Andreas; Richards, Anne F.; Jones, Cameron","Synthesis, Characterization, and Reactivity of an N-Heterocyclic Germanium(II) Hydride: Reversible Hydrogermylation of a Phosphaalkyne","Organometallics","2011","30","20","5543","","10.1021/om200823x","","","0.71073","MoKα","","0.0441","0.0334","","","0.076","0.0822","","","","","","1.072","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065466","7.193","0.0014","24.351","0.005","12.147","0.002","90","","99.41","0.03","90","","2099","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 Ge N2 -","- C23 H30 Ge N2 -","- C92 H120 Ge4 N8 -","4","1","","Choong, Sam L.; Woodul, William D.; Schenk, Christian; Stasch, Andreas; Richards, Anne F.; Jones, Cameron","Synthesis, Characterization, and Reactivity of an N-Heterocyclic Germanium(II) Hydride: Reversible Hydrogermylation of a Phosphaalkyne","Organometallics","2011","30","20","5543","","10.1021/om200823x","","","0.71073","MoKα","","0.0944","0.0467","","","0.0975","0.1116","","","","","","1.049","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065467","9.1645","0.0003","11.2956","0.0002","12.9117","0.0004","87.869","0.002","88.142","0.002","85.141","0.002","1330.3","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H42 Ge N2 -","- C29 H42 Ge N2 -","- C58 H84 Ge2 N4 -","2","1","","Choong, Sam L.; Woodul, William D.; Schenk, Christian; Stasch, Andreas; Richards, Anne F.; Jones, Cameron","Synthesis, Characterization, and Reactivity of an N-Heterocyclic Germanium(II) Hydride: Reversible Hydrogermylation of a Phosphaalkyne","Organometallics","2011","30","20","5543","","10.1021/om200823x","","","0.71073","MoKα","","0.0304","0.0267","","","0.0661","0.0681","","","","","","1.053","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065468","7.5831","0.0004","14.1863","0.0005","20.696","0.002","90","","90","","90","","2226.4","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Ge N2 O2 -","- C24 H30 Ge N2 O2 -","- C96 H120 Ge4 N8 O8 -","4","1","","Choong, Sam L.; Woodul, William D.; Schenk, Christian; Stasch, Andreas; Richards, Anne F.; Jones, Cameron","Synthesis, Characterization, and Reactivity of an N-Heterocyclic Germanium(II) Hydride: Reversible Hydrogermylation of a Phosphaalkyne","Organometallics","2011","30","20","5543","","10.1021/om200823x","","","0.71073","MoKα","","0.0366","0.0313","","","0.0612","0.0636","","","","","","1.035","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065469","11.739","0.002","7.426","0.0015","31.153","0.006","90","","94.95","0.03","90","","2705.6","0.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 Ge N2 P -","- C28 H39 Ge N2 P -","- C112 H156 Ge4 N8 P4 -","4","1","","Choong, Sam L.; Woodul, William D.; Schenk, Christian; Stasch, Andreas; Richards, Anne F.; Jones, Cameron","Synthesis, Characterization, and Reactivity of an N-Heterocyclic Germanium(II) Hydride: Reversible Hydrogermylation of a Phosphaalkyne","Organometallics","2011","30","20","5543","","10.1021/om200823x","","","0.71073","MoKα","","0.0507","0.0339","","","0.0815","0.0895","","","","","","1.049","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065470","8.3476","0.0002","16.445","0.001","11.7254","0.0006","90","","96.668","0.003","90","","1598.73","0.13","100","","100","","","","","","","","tetrahydrofurane","5","P 1 21/n 1","-P 2yn","14","","3,7-Diallyl-3-diaza-7-diazonium-bicyclo[3.3.1]nonane(N,N'-Diallyl-bispidine) hexafluorophosphate","","- C13 H23 F6 N2 P -","- C13 H23 F6 N2 P -","- C52 H92 F24 N8 P4 -","4","1","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard","Synthesis and Coordination Chemistry ofN,N-Diallylbispidine","Organometallics","2011","30","22","6241","","10.1021/om200824c","","","0.71073","MoKα","","0.042","0.0328","","","0.0836","0.0897","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065471","11.4068","0.001","12.8159","0.0012","16.1676","0.0015","90","","99.213","0.002","90","","2333","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-(3,7-Diallyl-3,7-diaza-bicyclo[3.3.1]nonane(N,N'-Diallyl-bispidine))- di-acetylacetonato-nickel(II)","","- C23 H36 N2 Ni O4 -","- C23 H36 N2 Ni O4 -","- C92 H144 N8 Ni4 O16 -","4","0.5","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard","Synthesis and Coordination Chemistry ofN,N-Diallylbispidine","Organometallics","2011","30","22","6241","","10.1021/om200824c","","","0.71073","Mo-Kα","","0.0337","0.0267","","","0.0708","0.0751","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065472","9.2877","0.0007","17.5304","0.0012","9.1855","0.0007","90","","98.594","0.006","90","","1478.76","0.19","100","","100","","","","","","","","acetonitrile","5","P 1 21/c 1","-P 2ybc","14","","Bis-[N,N'-3,7-diallyl-3,7-diaza-bicyclo[3.3.1]nonane- (N,N'-Diallyl-bispidine)-iodo-copper(II)]","","- C26 H44 Cu2 I2 N4 -","- C26 H44 Cu2 I2 N4 -","- C52 H88 Cu4 I4 N8 -","2","0.5","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard","Synthesis and Coordination Chemistry ofN,N-Diallylbispidine","Organometallics","2011","30","22","6241","","10.1021/om200824c","","","0.71073","MoKα","","0.0282","0.0238","","","0.0558","0.0578","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065473","9.4982","0.0006","16.2862","0.0009","24.839","0.003","90","","90","","90","","3842.3","0.6","100","2","100","2","","","","","","","tetrahydrofuran","6","P b c a","-P 2ac 2ab","61","","N,N'-3,7-diallyl-3,7-diaza-bicyclo[3.3.1]nonane(N,N'-Diallyl-bispidine)- hapto-3-allyl-palladium(II) hexafluorophosphate","","- C16 H27 F6 N2 P Pd -","- C16 H27 F6 N2 P Pd -","- C128 H216 F48 N16 P8 Pd8 -","8","1","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard","Synthesis and Coordination Chemistry ofN,N-Diallylbispidine","Organometallics","2011","30","22","6241","","10.1021/om200824c","","","0.71073","MoKα","","0.0365","0.0293","","","0.0638","0.0681","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4065474","12.799","0.004","15.183","0.004","19.257","0.006","90","","105.083","0.003","90","","3613.2","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Cl2 N3 Pd -","- C34 H54 Cl2 N3 Pd -","- C136 H216 Cl8 N12 Pd4 -","4","1","","Chen, Ming-Tsz; Vicic, David A.; Chain, William J.; Turner, Michael L.; Navarro, Oscar","Inhibited Catalyst Activation in (N-Heterocyclic carbene)PdCl2(diethylamine) Complexes by Intramolecular Hydrogen Bonding","Organometallics","2011","30","24","6770","","10.1021/om200828a","","","0.71075","MoKα","","0.0565","0.0408","","","0.0928","0.1028","","","","","","1.063","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065475","8.243","0.003","11.865","0.004","17.151","0.006","100.886","0.007","100.392","0.007","90.163","0.006","1619","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 Cl2 N3 Pd -","- C31 H49 Cl2 N3 Pd -","- C62 H98 Cl4 N6 Pd2 -","2","1","","Chen, Ming-Tsz; Vicic, David A.; Chain, William J.; Turner, Michael L.; Navarro, Oscar","Inhibited Catalyst Activation in (N-Heterocyclic carbene)PdCl2(diethylamine) Complexes by Intramolecular Hydrogen Bonding","Organometallics","2011","30","24","6770","","10.1021/om200828a","","","0.71075","MoKα","","0.0725","0.0475","","","0.073","0.079","","","","","","1.056","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065476","10.6194","0.0009","19.4491","0.0016","27.882","0.002","90","","90","","90","","5758.7","0.8","133","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C57 H44 Cl11 N2 O2 P Pd S -","- C57 H44 Cl11 N2 O2 P Pd S -","- C228 H176 Cl44 N8 O8 P4 Pd4 S4 -","4","1","","Mei, Liang-yong; Yuan, Zhi-liang; Shi, Min","Chiral Imidazoline‒Phosphine Ligands for Palladium-Catalyzed Asymmetric Allylic Substitutions","Organometallics","2011","30","23","6466","","10.1021/om2008309","","","0.71073","MoKα","","0.0333","0.0281","","","0.0653","0.0681","","","","","","0.976","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065477","7.3526","0.0015","8.7401","0.0017","13.854","0.003","74.85","0.03","88.4","0.03","79.4","0.03","844.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Al F N2 O -","- C19 H18 Al F N2 O -","- C38 H36 Al2 F2 N4 O2 -","2","1","","Zhang, Wenjuan; Wang, Youhong; Cao, Ji; Wang, Lin; Pan, Yi; Redshaw, Carl; Sun, Wen-Hua","Synthesis and Characterization of Dialkylaluminum Amidates and Their Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2011","30","22","6253","","10.1021/om2008343","","","0.71073","MoKα","","","0.0632","","","0.1803","0.1852","","","","","","1.1","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065478","8.9394","0.0018","26.659","0.005","7.5551","0.0015","90","","94.03","0.03","90","","1796","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Al N2 O2 -","- C20 H21 Al N2 O2 -","- C80 H84 Al4 N8 O8 -","4","1","","Zhang, Wenjuan; Wang, Youhong; Cao, Ji; Wang, Lin; Pan, Yi; Redshaw, Carl; Sun, Wen-Hua","Synthesis and Characterization of Dialkylaluminum Amidates and Their Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2011","30","22","6253","","10.1021/om2008343","","","0.71073","MoKα","","","0.0638","","","0.1721","0.1738","","","","","","1.143","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065479","13.006","0.003","17.275","0.004","14.339","0.003","90","","90.54","0.03","90","","3221.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Al N3 O -","- C18 H18 Al N3 O -","- C144 H144 Al8 N24 O8 -","8","2","","Zhang, Wenjuan; Wang, Youhong; Cao, Ji; Wang, Lin; Pan, Yi; Redshaw, Carl; Sun, Wen-Hua","Synthesis and Characterization of Dialkylaluminum Amidates and Their Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2011","30","22","6253","","10.1021/om2008343","","","0.71073","MoKα","","","0.0804","","","0.1758","0.1801","","","","","","1.235","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065481","11.6504","0.0005","17.7093","0.0006","19.4914","0.0009","90","","105.636","0.002","90","","3872.7","0.3","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","[HIdipp][WOCl5].1.5(C6H6)","","","- C36 H46 Cl5 N2 O W -","- C36 H46 Cl5 N2 O W -","- C144 H184 Cl20 N8 O4 W4 -","4","1","","Dodds, Christopher A.; Spicer, Mark D.; Tuttle, Tell","Tungsten(VI) N-Heterocyclic Carbene Complexes: Synthetic, Structural, and Computational Study","Organometallics","2011","30","22","6262","","10.1021/om200838f","","x-ray","0.71073","MoKα","","0.1359","0.0848","","","0.1852","0.2112","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065482","10.4185","0.0002","21.8042","0.0006","15.8247","0.0004","90","","106.975","0.002","90","","3438.23","0.15","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","[WO2Cl2(Idipp)] toluene solvate","","","- C34 H44 Cl2 N2 O2 W -","- C34 H44 Cl2 N2 O2 W -","- C136 H176 Cl8 N8 O8 W4 -","4","1","","Dodds, Christopher A.; Spicer, Mark D.; Tuttle, Tell","Tungsten(VI) N-Heterocyclic Carbene Complexes: Synthetic, Structural, and Computational Study","Organometallics","2011","30","22","6262","","10.1021/om200838f","","x-ray","0.71073","MoKα","","0.0883","0.0436","","","0.0609","0.0703","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065483","16.174","0.003","24.915","0.005","22.264","0.004","90","","127.483","0.012","90","","7119","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H83 Au2 Cl6 F6 N4 Sb -","- C65 H83 Au2 Cl6 F6 N4 Sb -","- C260 H332 Au8 Cl24 F24 N16 Sb4 -","4","1","","Brown, Timothy J.; Widenhoefer, Ross A.","Cationic Gold(I) π-Complexes of Terminal Alkynes and Their Conversion to Dinuclear σ,π-Acetylide Complexes","Organometallics","2011","30","21","6003","","10.1021/om200840g","","","0.71073","MoKα","","0.0748","0.0432","","","0.0979","0.1119","","","","","","1.034","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065484","13.3714","0.0004","15.9421","0.0004","19.4262","0.0005","90","","104.285","0.003","90","","4013","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 Cl5 P Ru -","- C45 H40 Cl5 P Ru -","- C180 H160 Cl20 P4 Ru4 -","4","1","","Doherty, Simon; Knight, Julian G.; Addyman, Carrie R.; Smyth, Catherine H.; Ward, Nicholas A. B.; Harrington, Ross W.","Ruthenium Complexes of κ(P)- and κ(P)-η6-Coordinated KITPHOS Monophosphines: Efficient Catalysts for the Direct Ortho Arylation of 2-Phenylpyridine andN-Phenylpyrazole with Aryl Chlorides","Organometallics","2011","30","21","6010","","10.1021/om200843f","","","0.71073","MoKα","","0.0579","0.0331","","","0.0693","0.0727","","","","","","0.904","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065485","10.0443","0.0004","12.4461","0.0005","13.0825","0.0004","82.659","0.003","81.761","0.003","77.868","0.003","1574.36","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 Cl5 P Ru -","- C35 H26 Cl5 P Ru -","- C70 H52 Cl10 P2 Ru2 -","2","1","","Doherty, Simon; Knight, Julian G.; Addyman, Carrie R.; Smyth, Catherine H.; Ward, Nicholas A. B.; Harrington, Ross W.","Ruthenium Complexes of κ(P)- and κ(P)-η6-Coordinated KITPHOS Monophosphines: Efficient Catalysts for the Direct Ortho Arylation of 2-Phenylpyridine andN-Phenylpyrazole with Aryl Chlorides","Organometallics","2011","30","21","6010","","10.1021/om200843f","","","0.71073","MoKα","","0.0405","0.0317","","","0.0771","0.0796","","","","","","0.997","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065486","12.1151","0.0005","13.6674","0.0007","20.0357","0.0013","81.524","0.005","79.6","0.004","89.921","0.004","3226.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H35 Cl2 P Ru -","- C38 H35 Cl2 P Ru -","- C152 H140 Cl8 P4 Ru4 -","4","2","","Doherty, Simon; Knight, Julian G.; Addyman, Carrie R.; Smyth, Catherine H.; Ward, Nicholas A. B.; Harrington, Ross W.","Ruthenium Complexes of κ(P)- and κ(P)-η6-Coordinated KITPHOS Monophosphines: Efficient Catalysts for the Direct Ortho Arylation of 2-Phenylpyridine andN-Phenylpyrazole with Aryl Chlorides","Organometallics","2011","30","21","6010","","10.1021/om200843f","","","1.54178","CuKα","","0.084","0.0656","","","0.1632","0.1789","","","","","","1.076","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065487","10.7466","0.0019","30.824","0.005","7.5786","0.0014","90","","90.409","0.01","90","","2510.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F6 N6 O6 S2 -","- C20 H18 F6 N6 O6 S2 -","- C80 H72 F24 N24 O24 S8 -","4","1","","Guisado-Barrios, Gregorio; Bouffard, Jean; Donnadieu, Bruno; Bertrand, Guy","Bis(1,2,3-triazol-5-ylidenes) (i-bitz) as Stable 1,4-Bidentate Ligands Based on Mesoionic Carbenes (MICs).","Organometallics","2011","30","21","6017","6021","10.1021/om200844b","","","0.71073","MoKα","","0.0541","0.0374","","","0.0921","0.1007","","","","","","1.04","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065488","11.572","0.003","12.087","0.003","16.216","0.004","109.334","0.002","92.297","0.002","106.715","0.002","2026.7","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H41 Cl3 F3 N6 O5 Rh S -","- C34 H41 Cl3 F3 N6 O5 Rh S -","- C68 H82 Cl6 F6 N12 O10 Rh2 S2 -","2","1","","Guisado-Barrios, Gregorio; Bouffard, Jean; Donnadieu, Bruno; Bertrand, Guy","Bis(1,2,3-triazol-5-ylidenes) (i-bitz) as Stable 1,4-Bidentate Ligands Based on Mesoionic Carbenes (MICs).","Organometallics","2011","30","21","6017","6021","10.1021/om200844b","","","0.71073","MoKα","","0.064","0.0505","","","0.1277","0.136","","","","","","1.054","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065489","10.708","0.003","10.536","0.003","14.436","0.004","90","","106.32","0.003","90","","1563","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N6 -","- C18 H16 N6 -","- C72 H64 N24 -","4","1","","Guisado-Barrios, Gregorio; Bouffard, Jean; Donnadieu, Bruno; Bertrand, Guy","Bis(1,2,3-triazol-5-ylidenes) (i-bitz) as Stable 1,4-Bidentate Ligands Based on Mesoionic Carbenes (MICs).","Organometallics","2011","30","21","6017","6021","10.1021/om200844b","","","0.71073","MoKα","","0.0879","0.0486","","","0.1045","0.1196","","","","","","1.011","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065490","15.7151","0.0005","10.981","0.0003","11.4561","0.0004","90","","110.513","0.004","90","","1851.6","0.11","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","[{<i>η</i>^5^-1-[2-di<i>tert</i>butyldiphosphane ‒<i>κP^1^</i>]cyclopentadienyl}-(<i>η</i>^5^-cyclopentadienyl)-hydrido- tungsten(IV)]","","- C18 H28 P2 W -","- C18 H28 P2 W -","- C72 H112 P8 W4 -","4","1","","Grubba, Rafał; Baranowska, Katarzyna; Gudat, Dietrich; Pikies, Jerzy","Reactions of Lithiated Diphosphanes R2P‒P(SiMe3)Li (R =tBu,iPr,iPr2N, Et2N) with [Cp2WCl2]. Syntheses and Structures of the First Terminal Phosphanylphosphido Complexes of Tungsten(IV)","Organometallics","2011","30","24","6655","","10.1021/om2008452","","x-ray","0.71073","MoKα","","0.0298","0.0224","","","0.0508","0.0521","","","","","","0.94","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065491","16.323","0.0007","8.6258","0.0003","14.0541","0.001","90","","97.857","0.005","90","","1960.23","0.18","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","[{<i>η</i>^5^-1-[2-bis(diethylamino)diphosphane‒<i>κ</i>P] cyclopentadienyl}-\ (<i>η</i>^5^-cyclopentadienyl)-hydrido-tungsten(IV)]","","- C18 H30 N2 P2 W -","- C18 H30 N2 P2 W -","- C72 H120 N8 P8 W4 -","4","1","","Grubba, Rafał; Baranowska, Katarzyna; Gudat, Dietrich; Pikies, Jerzy","Reactions of Lithiated Diphosphanes R2P‒P(SiMe3)Li (R =tBu,iPr,iPr2N, Et2N) with [Cp2WCl2]. Syntheses and Structures of the First Terminal Phosphanylphosphido Complexes of Tungsten(IV)","Organometallics","2011","30","24","6655","","10.1021/om2008452","","x-ray","0.71073","MoKα","","0.0505","0.0356","","","0.0815","0.0861","","","","","","0.963","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065492","13.361","0.003","7.6649","0.0006","16.3727","0.0014","90","","95.075","0.015","90","","1670.2","0.4","120","2","120","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","bis[{<i>η</i>^5^-(cyclopentadienylphosphane‒<i>κ^2^</i>P)-tungsten(IV)-\ (<i>η</i>^5^-cyclopentadienyl)]","","- C20 H18 P2 W2 -","- C20 H18 P2 W2 -","- C80 H72 P8 W8 -","4","0.5","","Grubba, Rafał; Baranowska, Katarzyna; Gudat, Dietrich; Pikies, Jerzy","Reactions of Lithiated Diphosphanes R2P‒P(SiMe3)Li (R =tBu,iPr,iPr2N, Et2N) with [Cp2WCl2]. Syntheses and Structures of the First Terminal Phosphanylphosphido Complexes of Tungsten(IV)","Organometallics","2011","30","24","6655","","10.1021/om2008452","","x-ray","0.71073","MoKα","","0.0544","0.0479","","","0.1253","0.1283","","","","","","1.089","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065493","11.114","0.0008","13.2931","0.001","18.0547","0.0014","80.294","0.001","78.841","0.001","79.504","0.001","2548.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H68 Cr2 N8 O4 P4 -","- C47.5 H68 Cr2 N8 O4 P4 -","- C95 H136 Cr4 N16 O8 P8 -","2","1","","Albahily, Khalid; Ahmed, Zeeshan; Gambarotta, Sandro; Koç, Ece; Duchateau, Robbert; Korobkov, Ilia","New Iminophosphonamide Chromium(II) Complexes as Highly Active Polymer-Free Ethylene Oligomerization Catalysts","Organometallics","2011","30","21","6022","","10.1021/om2008474","","","0.71073","MoKα","","0.1037","0.0527","","","0.1073","0.1243","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065494","16.68","0.003","16.182","0.003","26.027","0.005","90","","92.078","0.002","90","","7020","2","201","2","201","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H56.5 Cl2 Cr2 N6 O0.25 P2 -","- C25 H56.5 Cl2 Cr2 N6 O0.25 P2 -","- C200 H452 Cl16 Cr16 N48 O2 P16 -","8","2","","Albahily, Khalid; Ahmed, Zeeshan; Gambarotta, Sandro; Koç, Ece; Duchateau, Robbert; Korobkov, Ilia","New Iminophosphonamide Chromium(II) Complexes as Highly Active Polymer-Free Ethylene Oligomerization Catalysts","Organometallics","2011","30","21","6022","","10.1021/om2008474","","","0.71073","MoKα","","0.1083","0.0665","","","0.1603","0.1814","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065495","10.426","0.003","15.044","0.005","19.059","0.006","87.161","0.005","77.551","0.005","86.551","0.005","2911.8","1.6","201","2","201","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H75 Cl2 Cr2 N8 O4.5 P4 -","- C49 H75 Cl2 Cr2 N8 O4.5 P4 -","- C98 H150 Cl4 Cr4 N16 O9 P8 -","2","1","","Albahily, Khalid; Ahmed, Zeeshan; Gambarotta, Sandro; Koç, Ece; Duchateau, Robbert; Korobkov, Ilia","New Iminophosphonamide Chromium(II) Complexes as Highly Active Polymer-Free Ethylene Oligomerization Catalysts","Organometallics","2011","30","21","6022","","10.1021/om2008474","","","0.71073","MoKα","","0.169","0.0685","","","0.1448","0.1835","","","","","","0.958","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065496","15.264","0.005","29.322","0.01","22.836","0.008","90","","107.232","0.004","90","","9762","6","168","2","168","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C85 H82 Cl8 F12 Hg N2 P8 Pd Pt2 -","- C85 H76 Cl8 F12 Hg N2 P8 Pd Pt2 -","- C340 H304 Cl32 F48 Hg4 N8 P32 Pd4 Pt8 -","4","1","","Hosokawa, Aya; Kure, Bunsho; Nakajima, Takayuki; Nakamae, Kanako; Tanase, Tomoaki","Intramolecular Metal‒Metal Bond Rearrangement in a Pt2PdHg Heterometallic Cluster Forming a HgI‒PdICovalent Bond","Organometallics","2011","30","22","6063","","10.1021/om2008524","","","0.7107","MoKα","","","0.0589","","","","0.178","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065497","15.374","0.004","17.862","0.004","21.368","0.006","76.635","0.011","89.427","0.011","65.709","0.006","5180","2","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C87 H86 Cl10 Hg2 I6 N2 P6 Pd Pt2 -","- C87 H84 Cl10 Hg2 I6 N2 P6 Pd Pt2 -","- C174 H168 Cl20 Hg4 I12 N4 P12 Pd2 Pt4 -","2","1","","Hosokawa, Aya; Kure, Bunsho; Nakajima, Takayuki; Nakamae, Kanako; Tanase, Tomoaki","Intramolecular Metal‒Metal Bond Rearrangement in a Pt2PdHg Heterometallic Cluster Forming a HgI‒PdICovalent Bond","Organometallics","2011","30","22","6063","","10.1021/om2008524","","","0.7107","MoKα","","","0.0475","","","","0.1147","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065498","21.242","0.007","14.623","0.005","36.374","0.013","90","","101.971","0.004","90","","11053","7","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C83 H78 Cl8 F12 Hg3 N2 P8 Pt3 -","- C83 H78 Cl8 F12 Hg3 N2 P8 Pt3 -","- C332 H312 Cl32 F48 Hg12 N8 P32 Pt12 -","4","1","","Hosokawa, Aya; Kure, Bunsho; Nakajima, Takayuki; Nakamae, Kanako; Tanase, Tomoaki","Intramolecular Metal‒Metal Bond Rearrangement in a Pt2PdHg Heterometallic Cluster Forming a HgI‒PdICovalent Bond","Organometallics","2011","30","22","6063","","10.1021/om2008524","","","0.7107","MoKα","","","0.1026","","","","0.2889","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065499","11.1778","0.0014","15.922","0.002","30.769","0.004","90","","90","","90","","5476","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H79 F12 O P2 Rh Sb2 -","- C47 H51 F12 O P2 Rh Sb2 -","- C188 H204 F48 O4 P8 Rh4 Sb8 -","4","1","","Carmona, Daniel; Viguri, Fernando; Asenjo, Ainara; Lamata, M. Pilar; Lahoz, Fernando; Garc\?ía-Orduña, Pilar; Oro, L. A.","Enantioselective Catalysts for the Diels‒Alder Reaction between Methacrolein and Cyclopentadiene Based on the Chiral Fragment (η5-C5Me5)M(chiral diphosphane) (M = Rh, Ir)","Organometallics","2011","30","24","6661","","10.1021/om200859z","","","0.71073","MoKα","","0.0994","0.0667","","","0.1596","0.1749","","","","","","1","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065500","11.1076","0.0003","15.9002","0.0007","30.768","0.001","90","","90","","90","","5434","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H79 F12 Ir O P2 Sb2 -","- C47 H51 F12 Ir O P2 Sb2 -","- C188 H204 F48 Ir4 O4 P8 Sb8 -","4","1","","Carmona, Daniel; Viguri, Fernando; Asenjo, Ainara; Lamata, M. Pilar; Lahoz, Fernando; Garc\?ía-Orduña, Pilar; Oro, L. A.","Enantioselective Catalysts for the Diels‒Alder Reaction between Methacrolein and Cyclopentadiene Based on the Chiral Fragment (η5-C5Me5)M(chiral diphosphane) (M = Rh, Ir)","Organometallics","2011","30","24","6661","","10.1021/om200859z","","","0.71069","MoKα","","0.0841","0.069","","","0.149","0.1552","","","","","","1.075","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065501","7.8879","0.0016","9.0249","0.0018","11.313","0.002","96.64","0.03","105.58","0.03","96.99","0.03","760.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H25 N O P Pd0.5 -","- C14 H25 N O P Pd0.5 -","- C28 H50 N2 O2 P2 Pd -","2","1","","Wuttke, Evelyn; Nägele, Bettina; Weibert, Bernhard; Kessler, Florian","Palladium Alkynyl and Allenylidene Complexes: Very Efficient Precatalysts for C‒C Coupling Reactions","Organometallics","2011","30","22","6270","","10.1021/om200862m","","","0.71073","MoKα","","0.0203","0.0187","","","0.0464","0.0469","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065502","10.59","0.002","15.586","0.003","15.35","0.005","90","","129.296","0.019","90","","1960.7","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 B2 F8 N2 O2 P2 Pd -","- C32 H60 B2 F8 N2 O2 P2 Pd -","- C64 H120 B4 F16 N4 O4 P4 Pd2 -","2","0.5","","Wuttke, Evelyn; Nägele, Bettina; Weibert, Bernhard; Kessler, Florian","Palladium Alkynyl and Allenylidene Complexes: Very Efficient Precatalysts for C‒C Coupling Reactions","Organometallics","2011","30","22","6270","","10.1021/om200862m","","","0.71073","MoKα","","0.0387","0.0311","","","0.0691","0.0717","","","","","","1.017","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065503","11.614","0.002","10.94","0.002","16.303","0.006","90","","112.5","0.02","90","","1913.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H58 Cl4 N2 O2 P2 Pd -","- C30 H58 Cl4 N2 O2 P2 Pd -","- C60 H116 Cl8 N4 O4 P4 Pd2 -","2","0.5","","Wuttke, Evelyn; Nägele, Bettina; Weibert, Bernhard; Kessler, Florian","Palladium Alkynyl and Allenylidene Complexes: Very Efficient Precatalysts for C‒C Coupling Reactions","Organometallics","2011","30","22","6270","","10.1021/om200862m","","","0.71073","MoKα","","0.0348","0.0293","","","0.0639","0.0654","","","","","","1.146","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065504","6.8787","0.0006","10.141","0.0008","10.8037","0.0009","97.351","0.002","93.501","0.002","93.098","0.002","744.59","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 B F4 N3 Ni -","- C12 H16 B F4 N3 Ni -","- C24 H32 B2 F8 N6 Ni2 -","2","1","","Oertel, Anna Magdalena; Ritleng, Vincent; Burr, Loïc; Chetcuti, Michael J.","Synthesis and Structural Characterization of Half-Sandwich Nickel Complexes Bearing Two Different N-Heterocyclic Carbene Ligands","Organometallics","2011","30","24","6685","","10.1021/om200864z","","","0.71073","MoKα","","0.0454","0.0392","","","0.0931","0.0986","","","","","","1.06","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065505","9.1782","0.0002","18.5195","0.0006","18.642","0.0006","90","","97.07","0.002","90","","3144.59","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 F6 N4 Ni P -","- C31 H37 F6 N4 Ni P -","- C124 H148 F24 N16 Ni4 P4 -","4","1","","Oertel, Anna Magdalena; Ritleng, Vincent; Burr, Loïc; Chetcuti, Michael J.","Synthesis and Structural Characterization of Half-Sandwich Nickel Complexes Bearing Two Different N-Heterocyclic Carbene Ligands","Organometallics","2011","30","24","6685","","10.1021/om200864z","","","0.71073","MoKα","","0.0714","0.051","","","0.1304","0.145","","","","","","1.042","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065506","12.2545","0.0005","10.806","0.0003","15.8445","0.0007","90","","110.285","0.003","90","","1968.03","0.14","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Br2 N5 -","- C17 H21 Br2 N5 -","- C68 H84 Br8 N20 -","4","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0393","0.0326","","","0.0628","0.065","","","","","","1.13","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065507","9.542","0.0002","12.4063","0.0004","19.2384","0.0005","90","","100.674","0.002","90","","2238.05","0.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16.5 H19 Br2 Cl3 Fe N4 -","- C16.5 H19 Br2 Cl3 Fe N4 -","- C66 H76 Br8 Cl12 Fe4 N16 -","4","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0445","0.0389","","","0.0872","0.0902","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065508","8.3038","0.0004","14.3712","0.001","13.6238","0.0007","90","","105.856","0.004","90","","1563.94","0.16","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Br2 Fe N4 -","- C11 H16 Br2 Fe N4 -","- C44 H64 Br8 Fe4 N16 -","4","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0423","0.0376","","","0.0956","0.0981","","","","","","1.117","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065509","7.581","0.0003","22.4741","0.0007","12.0728","0.0006","90","","95.608","0.004","90","","2047.07","0.15","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl2 Fe N4 -","- C21 H20 Cl2 Fe N4 -","- C84 H80 Cl8 Fe4 N16 -","4","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0648","0.0438","","","0.0855","0.0918","","","","","","1.029","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065510","9.5362","0.0004","13.0778","0.0006","15.1937","0.001","90","","90","","90","","1894.84","0.17","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 Br2 Fe N4 -","- C15 H24 Br2 Fe N4 -","- C60 H96 Br8 Fe4 N16 -","4","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0543","0.045","","","0.1022","0.1051","","","","","","1.031","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065511","8.7193","0.0004","16.6428","0.0005","12.4298","0.0006","90","","108.653","0.003","90","","1708.99","0.13","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H44 Br2 Fe N4 O2 -","- C33 H44 Br2 Fe N4 O2 -","- C66 H88 Br4 Fe2 N8 O4 -","2","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0387","0.0362","","","0.0914","0.0924","","","","","","1.054","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065512","19.3153","0.0005","9.953","0.0003","16.2794","0.0005","90","","92.667","0.002","90","","3126.25","0.16","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Br2 Fe N4 O -","- C30 H38 Br2 Fe N4 O -","- C120 H152 Br8 Fe4 N16 O4 -","4","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.1196","0.0644","","","0.1014","0.1153","","","","","","1.002","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065513","13.0724","0.0006","19.3867","0.0007","13.9064","0.0007","90","","95.742","0.004","90","","3506.6","0.3","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H36.5 Br4 Fe2 N10.5 O0.5 -","- C25 H36.5 Br4 Fe2 N10.5 O0.5 -","- C100 H146 Br16 Fe8 N42 O2 -","4","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0741","0.0526","","","0.0841","0.0894","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065514","10.305","0.002","13.699","0.003","16.991","0.003","111.44","0.03","95.02","0.03","93.9","0.03","2211.1","0.9","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Br4 Fe2 N12 -","- C38 H44 Br4 Fe2 N12 -","- C76 H88 Br8 Fe4 N24 -","2","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0937","0.0601","","","0.1088","0.1193","","","","","","1.099","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065515","20.707","0.0007","13.316","0.0003","13.837","0.0003","90","","90","","90","","3815.34","0.18","133","2","133","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C28 H41 Br4 Fe2 N11 -","- C28 H41 Br4 Fe2 N11 -","- C112 H164 Br16 Fe8 N44 -","4","0.5","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0326","0.0312","","","0.0762","0.0769","","","","","","1.059","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065516","13.0001","0.0007","8.2073","0.0004","27.184","0.003","90","","101.501","0.007","90","","2842.2","0.4","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 I2 N4 O P Ru -","- C25 H37 I2 N4 O P Ru -","- C100 H148 I8 N16 O4 P4 Ru4 -","4","1","","Krogstad, Donald A.; Guerriero, Antonella; Ienco, Andrea; Manca, Gabriele; Peruzzini, Maurizio; Reginato, Gianna; Gonsalvi, Luca","Imidazolyl-PTA Derivatives as Water-Soluble (P,N) Ligands for Ruthenium-Catalyzed Hydrogenations","Organometallics","2011","30","22","6292","","10.1021/om200896g","","x-ray","0.71073","MoKα","","0.1259","0.0553","","","0.0841","0.107","","","","","","0.992","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065517","29.014","0.006","8.8416","0.0018","22.887","0.005","90","","115.79","0.03","90","","5286","2","110.15","","110.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H39 N3 -","- C30 H39 N3 -","- C240 H312 N24 -","8","1","","Tay, Boon-Ying; Wang, Cun; Chia, Sze-Chen; Stubbs, Ludger P.; Wong, Pui-Kwan; van Meurs, Martin","Synthesis of Bis(amino)pyridines by the Stepwise Alkylation of Bis(imino)pyridines: An Unexpected and Selective Alkylation of the Aminoiminopyridine by AlMe3","Organometallics","2011","30","21","6028","","10.1021/om200899f","","","0.71073","MoKα","","0.141","0.1152","","","0.2706","0.2942","","","","","","1.286","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065518","24.66","0.005","6.3263","0.0013","14.002","0.003","90","","95.05","0.03","90","","2175.9","0.8","110.15","","110.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N3 -","- C26 H31 N3 -","- C104 H124 N12 -","4","1","","Tay, Boon-Ying; Wang, Cun; Chia, Sze-Chen; Stubbs, Ludger P.; Wong, Pui-Kwan; van Meurs, Martin","Synthesis of Bis(amino)pyridines by the Stepwise Alkylation of Bis(imino)pyridines: An Unexpected and Selective Alkylation of the Aminoiminopyridine by AlMe3","Organometallics","2011","30","21","6028","","10.1021/om200899f","","","0.71073","MoKα","","0.1188","0.0989","","","0.232","0.2505","","","","","","1.232","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065519","15.873","0.003","32.135","0.006","12.193","0.002","90","","90","","90","","6219.4","1.9","115.1","","110.15","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C35 H51 N3 -","- C35 H51 N3 -","- C280 H408 N24 -","8","1","","Tay, Boon-Ying; Wang, Cun; Chia, Sze-Chen; Stubbs, Ludger P.; Wong, Pui-Kwan; van Meurs, Martin","Synthesis of Bis(amino)pyridines by the Stepwise Alkylation of Bis(imino)pyridines: An Unexpected and Selective Alkylation of the Aminoiminopyridine by AlMe3","Organometallics","2011","30","21","6028","","10.1021/om200899f","","","0.71073","MoKα","","0.172","0.1219","","","0.2356","0.2615","","","","","","1.234","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065520","9.475","0.0019","16.603","0.003","22.15","0.004","90","","95.26","0.03","90","","3469.8","1.1","110.15","","110.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H57 Mg N3 O -","- C39 H57 Mg N3 O -","- C156 H228 Mg4 N12 O4 -","4","0.5","","Tay, Boon-Ying; Wang, Cun; Chia, Sze-Chen; Stubbs, Ludger P.; Wong, Pui-Kwan; van Meurs, Martin","Synthesis of Bis(amino)pyridines by the Stepwise Alkylation of Bis(imino)pyridines: An Unexpected and Selective Alkylation of the Aminoiminopyridine by AlMe3","Organometallics","2011","30","21","6028","","10.1021/om200899f","","","0.71073","MoKα","","0.0616","0.0593","","","0.1659","0.1704","","","","","","1.211","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065521","24.951","0.01","13.912","0.005","14.168","0.006","90","","90","","90","","4918","3","110.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C50 H79 N3 Si2 Zr -","- C50.22 H88 N3 Si2 Zr -","- C200.88 H352 N12 Si8 Zr4 -","4","0.5","","Tay, Boon-Ying; Wang, Cun; Chia, Sze-Chen; Stubbs, Ludger P.; Wong, Pui-Kwan; van Meurs, Martin","Synthesis of Bis(amino)pyridines by the Stepwise Alkylation of Bis(imino)pyridines: An Unexpected and Selective Alkylation of the Aminoiminopyridine by AlMe3","Organometallics","2011","30","21","6028","","10.1021/om200899f","","","0.7107","MoKα","","","0.082","","","","0.08","","","","","","3.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065522","10.962","0.004","10.978","0.004","15.446","0.004","73.869","0.011","71.017","0.012","60.3","0.012","1511.3","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 O2 Os Ru2 -","- C30 H46 O2 Os1.0001 Ru2.0002 -","- C60 H92 O4 Os2.0002 Ru4.0004 -","2","1","","Kameo, Hajime; Nakajima, Yumiko; Namura, Kyo; Suzuki, Hiroharu","Heterometallic Effects in Nitrogen‒Hydrogen Bond Cleavage by Trinuclear Mixed-Metal Polyhydrido Clusters Containing Ruthenium and Osmium","Organometallics","2011","30","24","6703","","10.1021/om200901j","","","0.71069","MoKα","","0.0397","0.0325","","","0.0768","0.0806","","","","","","1.076","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065523","18.451","0.004","18.451","0.004","15.731","0.004","90","","90","","120","","4638","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H46 O2 Os2 Ru -","- C30 H45 O2 Os2.01 Ru0.99 -","- C180 H270 O12 Os12.06 Ru5.94 -","6","0.333333","","Kameo, Hajime; Nakajima, Yumiko; Namura, Kyo; Suzuki, Hiroharu","Heterometallic Effects in Nitrogen‒Hydrogen Bond Cleavage by Trinuclear Mixed-Metal Polyhydrido Clusters Containing Ruthenium and Osmium","Organometallics","2011","30","24","6703","","10.1021/om200901j","","","0.71069","MoKα","","0.0266","0.024","","","0.0627","0.0639","","","","","","1.104","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065524","18.4828","0.0007","18.4828","0.0007","15.7459","0.0004","90","","90","","120","","4658.4","0.3","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H46 O2 Os3 -","- C32 H45 Os3 -","- C192 H270 Os18 -","6","0.333333","","Kameo, Hajime; Nakajima, Yumiko; Namura, Kyo; Suzuki, Hiroharu","Heterometallic Effects in Nitrogen‒Hydrogen Bond Cleavage by Trinuclear Mixed-Metal Polyhydrido Clusters Containing Ruthenium and Osmium","Organometallics","2011","30","24","6703","","10.1021/om200901j","","","0.71069","MoKα","","0.0253","0.0239","","","0.0636","0.0644","","","","","","1.085","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065525","11.092","0.005","15.476","0.006","15.867","0.005","138.821","0.009","108.491","0.015","91.926","0.016","1530.5","1.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H49 N Os Ru2 -","- C30 H48 N Os0.99 Ru1.98 -","- C60 H96 N2 Os1.98 Ru3.96 -","2","1","","Kameo, Hajime; Nakajima, Yumiko; Namura, Kyo; Suzuki, Hiroharu","Heterometallic Effects in Nitrogen‒Hydrogen Bond Cleavage by Trinuclear Mixed-Metal Polyhydrido Clusters Containing Ruthenium and Osmium","Organometallics","2011","30","24","6703","","10.1021/om200901j","","","0.71069","MoKα","","0.0336","0.0279","","","0.0643","0.067","","","","","","1.048","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065526","11.5054","0.0002","14.6673","0.0002","17.364","0.0003","92.819","0.001","107.945","0.001","90.107","0.001","2783.86","0.08","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H62 Cl2 O8 P2 Ru2 -","- C63 H62 Cl2 O8 P2 Ru2 -","- C126 H124 Cl4 O16 P4 Ru4 -","2","1","","Oh, Suat Ping; Chor, Bo Yang; Fan, Wai Yip; Li, Yongxin; Leong, Weng Kee","Ru4(CO)8(μ-OOCAd)4(PPh3)2: Phosphine Derivative of an Electron-Deficient Linear Tetraruthenium Cluster","Organometallics","2011","30","24","6774","","10.1021/om2009028","","","0.71073","MoKα","","0.0349","0.0268","","","0.0742","0.0901","","","","","","1.187","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065527","11.646","0.002","12.73","0.003","13.774","0.003","97.623","0.005","101.646","0.006","98.543","0.005","1949.7","0.7","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H90 O16 P2 Ru4 -","- C88 H90 O16 P2 Ru4 -","- C88 H90 O16 P2 Ru4 -","1","0.5","","Oh, Suat Ping; Chor, Bo Yang; Fan, Wai Yip; Li, Yongxin; Leong, Weng Kee","Ru4(CO)8(μ-OOCAd)4(PPh3)2: Phosphine Derivative of an Electron-Deficient Linear Tetraruthenium Cluster","Organometallics","2011","30","24","6774","","10.1021/om2009028","","","0.71073","MoKα","","0.0444","0.0309","","","0.0931","0.1262","","","","","","1.216","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065528","12.4922","0.0009","10.8249","0.001","17.5015","0.0011","90","","103.199","0.005","90","","2304.2","0.3","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Fe Mn O5 -","- C27 H23 Fe Mn O5 -","- C108 H92 Fe4 Mn4 O20 -","4","1","","Eloi, Antoine; Poizat, Mael; Hautecoeur, Albin; Panossian, Armen; Rose-Munch, Françoise; Rose, Eric","Ferrocenyl-Substituted (η5-Hydroxyalkylcyclohexadienyl)tricarbonylmanganese Complexes: Synthesis, Structural Determinations, and Formation of Carbenium Ions","Organometallics","2011","30","21","5564","","10.1021/om200905p","","","0.71073","MoKα","","0.0972","0.0462","","0.1313","0.1133","0.1313","","","","","","0.9517","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065529","14.274","0.002","9.2958","0.0009","20.041","0.003","90","","101.746","0.014","90","","2603.5","0.6","200","","200","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C27 H22 B F4 Fe Mn O4 -","- C27 H22 B F4 Fe Mn O4 -","- C108 H88 B4 F16 Fe4 Mn4 O16 -","4","1","","Eloi, Antoine; Poizat, Mael; Hautecoeur, Albin; Panossian, Armen; Rose-Munch, Françoise; Rose, Eric","Ferrocenyl-Substituted (η5-Hydroxyalkylcyclohexadienyl)tricarbonylmanganese Complexes: Synthesis, Structural Determinations, and Formation of Carbenium Ions","Organometallics","2011","30","21","5564","","10.1021/om200905p","","","0.71073","MoKα","","0.091","0.0528","","0.1545","0.1338","0.1545","","","","","","0.9465","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065530","10.5141","0.0004","10.7253","0.0005","12.253","0.0008","99.725","0.002","108.453","0.003","111.514","0.002","1154.03","0.11","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Fe Mn O5 -","- C27 H23 Fe Mn O5 -","- C54 H46 Fe2 Mn2 O10 -","2","1","","Eloi, Antoine; Poizat, Mael; Hautecoeur, Albin; Panossian, Armen; Rose-Munch, Françoise; Rose, Eric","Ferrocenyl-Substituted (η5-Hydroxyalkylcyclohexadienyl)tricarbonylmanganese Complexes: Synthesis, Structural Determinations, and Formation of Carbenium Ions","Organometallics","2011","30","21","5564","","10.1021/om200905p","","","0.71073","MoKα","","0.035","0.0264","","","0.0773","0.0924","","","","","","1.159","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065531","16.071","0.003","11.221","0.002","25.045","0.005","90","","98.29","0.03","90","","4469.2","1.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 F6 N2 O10 Ru2 S2 -","- C37 H36 F3 N2 O7 Ru2 S -","- C148 H144 F12 N8 O28 Ru8 S4 -","4","1","","Vajpayee, Vaishali; Song, Young Ho; Yang, Yoon Jung; Kang, Se Chan; Cook, Timothy R.; Kim, Dong Wook; Lah, Myoung Soo; Kim, In Su; Wang, Ming; Stang, Peter J.; Chi, Ki-Whan","Self-assembly of Cationic, Hetero- or Homo-nuclear Ru(II) Macrocyclic Rectangles and their Photophysical, Electrochemical and Biological Studies.","Organometallics","2011","30","23","6482","6489","10.1021/om200908c","","","0.71073","MoKα","","0.1472","0.0847","","","0.2342","0.2698","","","","","","0.916","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065532","8.4367","0.0005","17.7889","0.0011","21.5854","0.0013","90","","90","","90","","3239.5","0.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Fe Ge O2 -","- C37 H42 Fe Ge O2 -","- C148 H168 Fe4 Ge4 O8 -","4","1","","Lei, Hao; Guo, Jing-Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes","Organometallics","2011","30","22","6316","","10.1021/om200912x","","","0.71073","MoKα","","0.041","0.0306","","","0.0661","0.0687","","","","","","1.046","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065533","14.6074","0.0013","23.995","0.002","10.8289","0.001","90","","90","","90","","3795.6","0.6","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C43 H54 Fe Ge O2 -","- C44 H54 Fe Ge O2 -","- C176 H216 Fe4 Ge4 O8 -","4","0.5","","Lei, Hao; Guo, Jing-Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes","Organometallics","2011","30","22","6316","","10.1021/om200912x","","","0.71073","MoKα","","0.0636","0.0454","","","0.1112","0.1182","","","","","","1.048","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065534","8.3971","0.0005","18.0138","0.001","21.7207","0.0013","90","","90","","90","","3285.6","0.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Fe O2 Sn -","- C37 H42 Fe O2 Sn -","- C148 H168 Fe4 O8 Sn4 -","4","1","","Lei, Hao; Guo, Jing-Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes","Organometallics","2011","30","22","6316","","10.1021/om200912x","","","0.71073","MoKα","","0.0345","0.0286","","","0.0654","0.067","","","","","","1.153","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065535","14.5814","0.0013","24.083","0.002","10.9124","0.001","90","","90","","90","","3832","0.6","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C43 H54 Fe O2 Sn -","- C43 H54 Fe O2 Sn -","- C172 H216 Fe4 O8 Sn4 -","4","0.5","","Lei, Hao; Guo, Jing-Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes","Organometallics","2011","30","22","6316","","10.1021/om200912x","","","0.71073","MoKα","","0.0918","0.0874","","","0.1799","0.182","","","","","","1.055","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065536","11.1938","0.0017","15.366","0.002","15.715","0.002","114.251","0.002","107.508","0.002","99.328","0.002","2219.9","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H132 Fe2 O2 Sn2 -","- C105 H132 Fe2 O2 Sn2 -","- C105 H132 Fe2 O2 Sn2 -","1","0.5","","Lei, Hao; Guo, Jing-Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes","Organometallics","2011","30","22","6316","","10.1021/om200912x","","","0.71073","MoKα","","0.0551","0.0499","","","0.1295","0.1326","","","","","","1.075","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065537","12.108","0.012","12.206","0.012","16.993","0.017","77.344","0.012","80.62","0.011","88.085","0.012","2418","4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H84 Au2 Cl2 P2 -","- C42 H84 Au2 Cl2 P2 -","- C84 H168 Au4 Cl4 P4 -","2","1","","Stollenz, Michael; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.","Syntheses and Structures of Digold Complexes of Macrobicyclic Dibridgehead Diphosphines That Can Turn Themselves Inside Out","Organometallics","2011","30","24","6510","","10.1021/om200924g","","","0.71069","MoKα","","0.2303","0.0837","","","0.1569","0.2199","","","","","","1.005","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065538","20.265","0.003","8.8603","0.0011","27.301","0.004","90","","108.354","0.008","90","","4652.6","1.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 Au2 Cl2 P2 -","- C42 H84 Au2 Cl2 P2 -","- C168 H336 Au8 Cl8 P8 -","4","1","","Stollenz, Michael; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.","Syntheses and Structures of Digold Complexes of Macrobicyclic Dibridgehead Diphosphines That Can Turn Themselves Inside Out","Organometallics","2011","30","24","6510","","10.1021/om200924g","","","1.54178","CuKα","","0.1122","0.0804","","","0.1678","0.1814","","","","","","1.062","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065539","13.464","0.0006","16.9901","0.0007","24.966","0.001","75.564","0.002","86.04","0.002","77.449","0.002","5397.9","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H102 Au2 P2 -","- C50 H102 Au2 P2 -","- C200 H408 Au8 P8 -","4","2","","Stollenz, Michael; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.","Syntheses and Structures of Digold Complexes of Macrobicyclic Dibridgehead Diphosphines That Can Turn Themselves Inside Out","Organometallics","2011","30","24","6510","","10.1021/om200924g","","","1.54178","CuKα","","0.0744","0.0519","","","0.1273","0.1439","","","","","","1.012","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065540","13.0985","0.0012","13.5228","0.0012","14.3523","0.0013","90","","101.162","0.001","90","","2494.1","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H56 Cl2 F12 O3 P2 Ru Sb2 -","- C43 H54 Cl2 F12 O3 P2 Ru Sb2 -","- C86 H108 Cl4 F24 O6 P4 Ru2 Sb4 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Barba, Carmen; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Diels‒Alder Reactions Catalyzed by Well-Defined Arene‒Ruthenium Complexes. Relationship between Catalyst Structure and Enantioselectivity","Organometallics","2011","30","24","6726","","10.1021/om200944y","","","0.71073","MoKα","","0.0269","0.025","","","0.0612","0.0621","","","","","","1.033","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065541","11.4111","0.0007","20.225","0.0013","11.7749","0.0008","90","","112.134","0.001","90","","2517.3","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H50 Cl4 F12 O P2 Ru Sb2 -","- C43 H50 Cl4 F12 O P2 Ru Sb2 -","- C86 H100 Cl8 F24 O2 P4 Ru2 Sb4 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Barba, Carmen; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Diels‒Alder Reactions Catalyzed by Well-Defined Arene‒Ruthenium Complexes. Relationship between Catalyst Structure and Enantioselectivity","Organometallics","2011","30","24","6726","","10.1021/om200944y","","","0.71073","MoKα","","0.0478","0.0436","","","0.0937","0.0963","","","","","","1.049","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065542","13.0548","0.001","13.3427","0.001","14.2143","0.0011","90","","100.114","0.002","90","","2437.5","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H52 Cl2 F12 O P2 Ru Sb2 -","- C44 H52 Cl2 F12 O P2 Ru Sb2 -","- C88 H104 Cl4 F24 O2 P4 Ru2 Sb4 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Barba, Carmen; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Enantioselective Diels‒Alder Reactions Catalyzed by Well-Defined Arene‒Ruthenium Complexes. Relationship between Catalyst Structure and Enantioselectivity","Organometallics","2011","30","24","6726","","10.1021/om200944y","","","0.71073","MoKα","","0.0908","0.0642","","","0.0996","0.1116","","","","","","1.067","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065543","11.0323","0.0005","18.961","0.0007","12.4461","0.0005","90","","108.62","0.0012","90","","2467.24","0.18","213","","213","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H64 Cl4 Fe O2 P2 Pd -","- C49 H64 Cl4 Fe O2 P2 Pd -","- C98 H128 Cl8 Fe2 O4 P4 Pd2 -","2","1","","Kobayashi, Kenya; Yamamoto, Yasunori; Miyaura, Norio","Pd/Josiphos-Catalyzed Enantioselective α-Arylation of Silyl Ketene Acetals and Mechanistic Studies on Transmetalation and Enantioselection","Organometallics","2011","30","22","6323","","10.1021/om200945q","","","0.71075","MoKα","","","0.0576","","","","0.138","","","","","","1.107","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065544","12.6776","0.0005","14.7608","0.0006","20.8701","0.0005","90","","90","","90","","3905.5","0.2","120","2","120","2","","","","","","","","5","P b n b","-P 2bc 2ab","56","","","","- C21 H26 Cl Fe0.5 N2 -","- C21 H26 Cl Fe0.5 N2 -","- C168 H208 Cl8 Fe4 N16 -","8","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Stylianides, Neoklis; Wesolek, Marcel","Aminolysis of Bis[bis(trimethylsilyl)amido]iron and -cobalt as a Versatile Route to N-Heterocyclic Carbene Complexes","Organometallics","2011","30","24","6514","","10.1021/om200951m","","","0.71073","MoKα","","0.093","0.0516","","","0.1032","0.1184","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065545","17.3055","0.0004","12.5893","0.0003","37.1204","0.0008","90","","96.856","0.001","90","","8029.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H112 Cl2 Fe2 N6 Si4 -","- C70 H112 Cl2 Fe2 N6 Si4 -","- C280 H448 Cl8 Fe8 N24 Si16 -","4","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Stylianides, Neoklis; Wesolek, Marcel","Aminolysis of Bis[bis(trimethylsilyl)amido]iron and -cobalt as a Versatile Route to N-Heterocyclic Carbene Complexes","Organometallics","2011","30","24","6514","","10.1021/om200951m","","","0.71073","MoKα","","0.1107","0.0681","","","0.1828","0.208","","","","","","1.061","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065546","17.4562","0.0004","11.3696","0.0003","18.4","0.0005","90","","102.372","0.001","90","","3567.04","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H59 Cl Fe N4 Si4 -","- C23 H59 Cl Fe N4 Si4 -","- C92 H236 Cl4 Fe4 N16 Si16 -","4","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Stylianides, Neoklis; Wesolek, Marcel","Aminolysis of Bis[bis(trimethylsilyl)amido]iron and -cobalt as a Versatile Route to N-Heterocyclic Carbene Complexes","Organometallics","2011","30","24","6514","","10.1021/om200951m","","","0.71073","MoKα","","0.094","0.0581","","","0.1011","0.116","","","","","","1.129","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065547","12.889","","15.122","","14.295","","90","","109","","90","","2634.41","","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 B F3 N2 -","- C27 H38 B F3 N2 -","- C108 H152 B4 F12 N8 -","4","1","","Danopoulos, Andreas A.; Braunstein, Pierre; Stylianides, Neoklis; Wesolek, Marcel","Aminolysis of Bis[bis(trimethylsilyl)amido]iron and -cobalt as a Versatile Route to N-Heterocyclic Carbene Complexes","Organometallics","2011","30","24","6514","","10.1021/om200951m","","","0.71073","MoKα","","0.1203","0.0593","","","0.1375","0.1701","","","","","","1.058","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065548","23.55","0.005","17.464","0.004","16.528","0.003","90","","90","","90","","6798","2","93","2","93","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C37 H52 N2 O Ru -","- C37 H52 N2 O Ru -","- C296 H416 N16 O8 Ru8 -","8","","","Nun, Pierrick; Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Ruthenium Hydroxide Complexes in the Racemization of Secondary Alcohols","Organometallics","2011","30","23","6347","","10.1021/om200956r","","","0.71073","MoKα","","0.0564","0.0423","","","0.1034","0.1168","","","","","","0.805","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065549","10.818","0.005","14.007","0.006","19.32","0.009","90","","104.079","0.01","90","","2840","2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 N2 O Ru -","- C31 H40 N2 O Ru -","- C124 H160 N8 O4 Ru4 -","4","1","","Nun, Pierrick; Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Ruthenium Hydroxide Complexes in the Racemization of Secondary Alcohols","Organometallics","2011","30","23","6347","","10.1021/om200956r","","","0.71073","MoKα","","0.1176","0.0795","","","0.1824","0.2085","","","","","","1.086","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065550","10.8485","0.0005","12.7284","0.0007","13.2348","0.0004","65.748","0.004","86.29","0.003","71.699","0.005","1577.59","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H48 N2 -","- C37 H48 N2 -","- C74 H96 N4 -","2","1","","Wang, Wenyuan; Inoue, Shigeyoshi; Yao, Shenglai; Driess, Matthias","Reactivity of N-Heterocyclic Germylene Toward Ammonia and Water","Organometallics","2011","30","23","6490","","10.1021/om200970s","","","0.71073","MoKα","","0.0633","0.0439","","","0.09","0.0963","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065551","11.7621","0.0002","17.5495","0.0004","16.6051","0.0003","90","","107.053","0.002","90","","3276.91","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl Ge N2 -","- C37 H47 Cl Ge N2 -","- C148 H188 Cl4 Ge4 N8 -","4","1","","Wang, Wenyuan; Inoue, Shigeyoshi; Yao, Shenglai; Driess, Matthias","Reactivity of N-Heterocyclic Germylene Toward Ammonia and Water","Organometallics","2011","30","23","6490","","10.1021/om200970s","","","0.7107","","","0.0496","0.0328","","","0.0709","0.0742","","","","","","1.044","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065552","10.8388","0.0006","12.7885","0.0007","13.2778","0.0004","66.971","0.004","85.749","0.003","71.833","0.005","1606.95","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H46 Ge N2 -","- C37 H46 Ge N2 -","- C74 H92 Ge2 N4 -","2","1","","Wang, Wenyuan; Inoue, Shigeyoshi; Yao, Shenglai; Driess, Matthias","Reactivity of N-Heterocyclic Germylene Toward Ammonia and Water","Organometallics","2011","30","23","6490","","10.1021/om200970s","","","0.71073","MoKα","","0.0691","0.0489","","","0.118","0.1242","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065553","11.7714","0.0004","17.4309","0.0006","16.6868","0.0006","90","","106.866","0.004","90","","3276.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Ge N3 -","- C37 H49 Ge N3 -","- C148 H196 Ge4 N12 -","4","1","","Wang, Wenyuan; Inoue, Shigeyoshi; Yao, Shenglai; Driess, Matthias","Reactivity of N-Heterocyclic Germylene Toward Ammonia and Water","Organometallics","2011","30","23","6490","","10.1021/om200970s","","","0.71073","MoKα","","0.0699","0.0464","","","0.1084","0.1133","","","","","","1.06","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065554","11.756","0.0003","17.4116","0.0005","16.6421","0.0004","90","","106.992","0.003","90","","3257.78","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 Ge N2 O -","- C37 H48 Ge N2 O -","- C148 H192 Ge4 N8 O4 -","4","1","","Wang, Wenyuan; Inoue, Shigeyoshi; Yao, Shenglai; Driess, Matthias","Reactivity of N-Heterocyclic Germylene Toward Ammonia and Water","Organometallics","2011","30","23","6490","","10.1021/om200970s","","","0.71073","MoKα","","0.0516","0.0336","","","0.0752","0.0789","","","","","","1.018","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4083319","24.126","0.005","26.246","0.005","15.483","0.003","90","","104.28","0.03","90","","9501","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H18 N3 O4 Re -","- C27 H17.75 N3 O4 Re -","- C432 H284 N48 O64 Re16 -","16","4","","Ju, Chuan-Chuan; Zhang, An-Guo; Sun, Hao-Ling; Wang, Ke-Zhi; Jiang, Wei-Li; Bian, Zu-Qiang; Huang, Chun-Hui","Synthesis, Crystal Structure, and Optical and Photoelectrochemical Properties of a N∩O− Rhenium(I) Complex","Organometallics","2011","30","4","712","716","10.1021/om100311b","","","0.71073","MoKα","","0.0592","0.0194","","","0.0438","0.0568","","","","","","0.948","","","","has coordinates","209980","2020-10-21","18:00:00",""
"4083320","13.0223","0.0004","21.0636","0.0007","22.7792","0.0008","90","","99.196","0.001","90","","6167.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H82 Ir N O3 P2 -","- C73 H82 Ir N O3 P2 -","- C292 H328 Ir4 N4 O12 P8 -","4","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0405","0.0238","","","0.0373","0.0388","","","","","","1.713","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083321","19.3956","0.0009","13.1877","0.0006","31.5557","0.0015","90","","106.611","0.002","90","","7734.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H91 Cl11 Ir N O2 P2 -","- C78 H91 Cl11 Ir N O2 P2 -","- C312 H364 Cl44 Ir4 N4 O8 P8 -","4","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0525","0.034","","","0.0589","0.0601","","","","","","2.152","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083322","12.9942","0.0005","22.9825","0.0009","25.8969","0.0009","90","","103.513","0.002","90","","7519.7","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C85.47 H96.19 F3 Ir N O5 P2 S -","- C85.471 H96.174 F3 Ir N O5 P2 S -","- C341.884 H384.696 F12 Ir4 N4 O20 P8 S4 -","4","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0654","0.0463","","","0.0958","0.0979","","","","","","2.75","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4083323","16.8289","0.0008","23.8694","0.001","17.4749","0.0008","90","","102.373","0.002","90","","6856.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H94 Ir N O2 P2 -","- C78 H94 Ir N O2 P2 -","- C312 H376 Ir4 N4 O8 P8 -","4","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.048","0.031","","","0.0519","0.0529","","","","","","2.14","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083324","16.0771","0.0008","20.529","0.001","23.1672","0.0011","90","","90","","90","","7646.3","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45.5 H49 Ir0.5 N0.5 O P -","- C45.5 H49 Ir0.5 N0.5 O P -","- C364 H392 Ir4 N4 O8 P8 -","8","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0788","0.0443","","","0.0804","0.0824","","","","","","3.326","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4083325","13.1981","0.0007","20.9991","0.0009","22.8801","0.0012","90","","100.388","0.003","90","","6237.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H84 Ir N O2 P2 -","- C74 H84 Ir N O2 P2 -","- C296 H336 Ir4 N4 O8 P8 -","4","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0813","0.0387","","","0.0478","0.0522","","","","","","1.268","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083326","14.425","0.0005","19.418","0.0006","26.3735","0.0009","90","","99.362","0.002","90","","7288.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H105 I Ir N O2 P2 -","- C83 H105 I Ir N O2 P2 -","- C332 H420 I4 Ir4 N4 O8 P8 -","4","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0647","0.0482","","","0.075","0.0759","","","","","","2.742","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4083327","11.0592","0.0005","11.8291","0.0005","20.4215","0.0009","105.154","0.002","97.156","0.002","95.37","0.002","2536.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H72 F6 Ir N2 O2 P -","- C53 H72 F6 Ir N2 O2 P -","- C106 H144 F12 Ir2 N4 O4 P2 -","2","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0249","0.0206","","","0.0392","0.0394","","","","","","1.957","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083328","12.2897","0.0007","35.3664","0.0019","11.4244","0.0006","90","","93.83","0.002","90","","4954.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H84 Ir N O2 P2 -","- C50 H84 Ir N O2 P2 -","- C200 H336 Ir4 N4 O8 P8 -","4","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0218","0.0188","","","0.0366","0.0368","","","","","","1.824","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083329","21.3366","0.0012","21.4842","0.0013","26.6266","0.0015","81.836","0.004","85.844","0.003","89.459","0.004","12050.2","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59.12 H93.12 F6 Ir N O2 P3 -","- C59.141 H93.141 F5.859 Ir N O2 P2.9765 -","- C473.128 H745.128 F46.872 Ir8 N8 O16 P23.812 -","8","4","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.1172","0.0739","","","0.1072","0.112","","","","","","1.78","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4083330","12.246","0.0006","35.7358","0.0018","11.4544","0.0006","90","","93.49","0.002","90","","5003.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H81 I Ir N O2 P2 -","- C49.3345 H81.0035 I0.6655 Ir N O2 P2 -","- C197.338 H324.014 I2.662 Ir4 N4 O8 P8 -","4","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0459","0.0344","","","0.062","0.0635","","","","","","1.448","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4083331","11.7099","0.0004","13.188","0.0005","17.2153","0.0006","86.059","0.002","72.263","0.002","87.034","0.002","2524.87","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H72 F3 Ir N O5 S -","- C55 H72 F3 Ir N O5 S -","- C110 H144 F6 Ir2 N2 O10 S2 -","2","1","","Fu, Ross; Bercaw, John E.; Labinger, Jay A.","Intra- and Intermolecular C‒H Activation by Bis(phenolate)pyridineiridium(III) Complexes","Organometallics","2011","30","24","6751","","10.1021/om201069k","","","0.71073","MoKα","","0.0283","0.0221","","","0.0381","0.0385","","","","","","1.536","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083332","11.7355","0.0017","16.195","0.002","17.148","0.003","94.811","0.009","99.771","0.009","106.499","0.009","3049.3","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H46 B F15 P2 Ru -","- C73 H46 B F15 P2 Ru -","- C146 H92 B2 F30 P4 Ru2 -","2","1","","Boone, Michael P.; Stephan, Douglas W.","Reactions of Ru-alkynyl Complexes with Electrophilic Boranes","Organometallics","2011","30","20","5537","","10.1021/om200815s","","","0.71073","MoKα","","0.1746","0.0934","","","0.2119","0.2611","","","","","","0.978","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083333","9.7474","0.001","18.4021","0.0016","24.467","0.003","87.381","0.007","81.646","0.007","74.766","0.006","4189.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 B F10 P Ru -","- C49 H38 B F10 P Ru -","- C196 H152 B4 F40 P4 Ru4 -","4","2","","Boone, Michael P.; Stephan, Douglas W.","Reactions of Ru-alkynyl Complexes with Electrophilic Boranes","Organometallics","2011","30","20","5537","","10.1021/om200815s","","","0.71073","MoKα","","0.2201","0.0827","","","0.1686","0.222","","","","","","0.966","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083334","22.0269","0.0009","12.9666","0.0005","21.5355","0.0009","90","","107.048","0.002","90","","5880.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H56 B F10 P2 Ru -","- C71 H56 B F10 P2 Ru -","- C284 H224 B4 F40 P8 Ru4 -","4","1","","Boone, Michael P.; Stephan, Douglas W.","Reactions of Ru-alkynyl Complexes with Electrophilic Boranes","Organometallics","2011","30","20","5537","","10.1021/om200815s","","","0.71073","MoKα","","0.0612","0.0406","","","0.1055","0.1213","","","","","","0.973","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4089363","9.6156","0.0006","29.641","0.002","15.6876","0.0008","90","","90.65","0.005","90","","4470.9","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 B Br3 F10 Mg2 O6 -","- C36 H50 B Br3 F10 Mg2 O6 -","- C144 H200 B4 Br12 F40 Mg8 O24 -","4","1","","Schnurr, Anna; Samigullin, Kamil; Breunig, Jens M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One-Pot Synthesis of [(C6F5)2BH2]−from C6F5MgBr/BH3·SMe2and Its in Situ Transformation to Piers’ Borane","Organometallics","2011","30","10","2838","","10.1021/om200186w","","","0.71073","MoKα","","0.1004","0.066","","","0.1516","0.1671","","","","","","1.028","","","","has coordinates,has disorder","265217","2021-05-14","09:38:24",""
"4089364","17.371","0.002","21.4852","0.0019","21.5176","0.0018","90","","90","","90","","8030.8","1.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C57 H74 B2 Br4.8 Cl7.2 F20 Mg4 O6 -","- C57 H74 B2 Br4.77 Cl7.23 F20 Mg4 O6 -","- C228 H296 B8 Br19.08 Cl28.92 F80 Mg16 O24 -","4","0.5","","Schnurr, Anna; Samigullin, Kamil; Breunig, Jens M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One-Pot Synthesis of [(C6F5)2BH2]−from C6F5MgBr/BH3·SMe2and Its in Situ Transformation to Piers’ Borane","Organometallics","2011","30","10","2838","","10.1021/om200186w","","","0.71073","MoKα","","0.1124","0.0505","","","0.0893","0.1061","","","","","","0.869","","","","has coordinates,has disorder","265217","2021-05-14","09:38:24",""
"4089365","17.2659","0.0013","12.017","0.001","22.4602","0.0015","90","","91.917","0.006","90","","4657.5","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 B2 F20 Mg O2 -","- C44 H36 B2 F20 Mg O2 -","- C176 H144 B8 F80 Mg4 O8 -","4","0.5","","Schnurr, Anna; Samigullin, Kamil; Breunig, Jens M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One-Pot Synthesis of [(C6F5)2BH2]−from C6F5MgBr/BH3·SMe2and Its in Situ Transformation to Piers’ Borane","Organometallics","2011","30","10","2838","","10.1021/om200186w","","","0.71073","MoKα","","0.095","0.0553","","","0.1338","0.1524","","","","","","0.861","","","","has coordinates","265217","2021-05-14","09:38:24",""
"4089366","10.4902","0.0002","28.3899","0.0004","11.5768","0.0002","90","","96.412","0.001","90","","3426.19","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","Pd(PEt3)2(Br)(aceto-glucopyranose)","","- C26 H49 Br O9 P2 Pd -","- C26 H49 Br O9 P2 Pd -","- C104 H196 Br4 O36 P8 Pd4 -","4","2","","Munro-Leighton, Colleen; Adduci, Laura L.; Becker, Jennifer J.; Gagné, Michel R.","Oxidative Addition of Secondary C‒X Bonds to Palladium(0): A Beneficial Anomeric Acceleration","Organometallics","2011","30","10","2646","","10.1021/om200221r","","","1.54178","CuKα","","0.0265","0.0255","","0.0559","0.0555","0.0559","","","","","","0.9384","","","","has coordinates","243619","2020-10-21","18:00:00",""
"4089367","12.4843","0.0008","26.1392","0.0017","12.9917","0.0013","90","","113.351","0.005","90","","3892.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H69 Br O2 P2 Pd -","- C38 H69 Br O2 P2 Pd -","- C152 H276 Br4 O8 P8 Pd4 -","4","1","","Munro-Leighton, Colleen; Adduci, Laura L.; Becker, Jennifer J.; Gagné, Michel R.","Oxidative Addition of Secondary C‒X Bonds to Palladium(0): A Beneficial Anomeric Acceleration","Organometallics","2011","30","10","2646","","10.1021/om200221r","","","1.54178","CuKα","","0.0501","0.0462","","","0.1094","0.1113","","","","","","1.124","","","","has coordinates,has disorder","243619","2020-10-21","18:00:00",""
"4089368","20.3186","0.0017","15.6601","0.0013","19.1693","0.0016","90","","100.335","0.002","90","","6000.5","0.9","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","holrc35","","","- C74 H73 Cl N2 Pd -","- C74.009 H73.009 Cl N2 Pd -","- C296.036 H292.036 Cl4 N8 Pd4 -","4","1","","Dible, Benjamin R.; Cowley, Ryan E.; Holland, Patrick L.","Remote Substitution onN-Heterocyclic Carbenes Heightens the Catalytic Reactivity of Their Palladium Complexes","Organometallics","2011","30","19","5123","","10.1021/om200349y","","","0.71073","MoKα","","0.0835","0.0465","","","0.101","0.1162","","","","","","1.01","","","","has coordinates,has disorder","243620","2020-10-21","18:00:00",""
"4089369","10.1545","0.0012","10.4375","0.0012","16.605","0.002","90","","90.461","0.002","90","","1759.9","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HOLRC37","","","- C18 H18 Cl2 Pd2 -","- C18 H18 Cl2 Pd2 -","- C72 H72 Cl8 Pd8 -","4","1","","Dible, Benjamin R.; Cowley, Ryan E.; Holland, Patrick L.","Remote Substitution onN-Heterocyclic Carbenes Heightens the Catalytic Reactivity of Their Palladium Complexes","Organometallics","2011","30","19","5123","","10.1021/om200349y","","","0.71073","MoKα","","0.0804","0.0426","","","0.0748","0.0856","","","","","","1.02","","","","has coordinates,has disorder","243620","2020-10-21","18:00:00",""
"4089370","29.265","0.006","32.808","0.007","19.899","0.004","90","","90","","90","","19106","7","100","0.1","100","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","holrc39","","","- C97 H131 B Cl6 F4 N2 -","- C97 H131 B Cl6 F4 N2 -","- C776 H1048 B8 Cl48 F32 N16 -","8","1","","Dible, Benjamin R.; Cowley, Ryan E.; Holland, Patrick L.","Remote Substitution onN-Heterocyclic Carbenes Heightens the Catalytic Reactivity of Their Palladium Complexes","Organometallics","2011","30","19","5123","","10.1021/om200349y","","","0.71073","MoKα","","0.1449","0.0922","","","0.2582","0.3043","","","","","","1.035","","","","has coordinates,has disorder","243620","2020-10-21","18:00:00",""
"4089371","15.825","0.003","11.27","0.002","23.343","0.005","90","","104.498","0.004","90","","4030.6","1.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HOLRC40","","","- C47 H65 B F4 N2 -","- C47 H65 B F4 N2 -","- C188 H260 B4 F16 N8 -","4","1","","Dible, Benjamin R.; Cowley, Ryan E.; Holland, Patrick L.","Remote Substitution onN-Heterocyclic Carbenes Heightens the Catalytic Reactivity of Their Palladium Complexes","Organometallics","2011","30","19","5123","","10.1021/om200349y","","","0.71073","MoKα","","0.1208","0.0589","","","0.1414","0.1723","","","","","","1.013","","","","has coordinates","243620","2020-10-21","18:00:00",""
"4089372","11.0247","0.0013","17.278","0.002","19.348","0.002","92.845","0.002","105.389","0.002","101.191","0.002","3465.8","0.7","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","holrc41","","","- C83.46 H93.14 Cl1.77 N2 Pd -","- C83.46 H93.15 Cl1.77 N2 Pd -","- C166.92 H186.3 Cl3.54 N4 Pd2 -","2","1","","Dible, Benjamin R.; Cowley, Ryan E.; Holland, Patrick L.","Remote Substitution onN-Heterocyclic Carbenes Heightens the Catalytic Reactivity of Their Palladium Complexes","Organometallics","2011","30","19","5123","","10.1021/om200349y","","","0.71073","MoKα","","0.0836","0.0531","","","0.1343","0.1531","","","","","","1.029","","","","has coordinates,has disorder","243620","2020-10-21","18:00:00",""
"4089373","10.286","0.002","12.912","0.003","14.411","0.003","90","","90","","90","","1914","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O Pd -","- C20 H20 Cl2 N2 O Pd -","- C80 H80 Cl8 N8 O4 Pd4 -","4","1","","Grach, Guillaume; Pieters, Grégory; Dinut, Aurelia; Terrasson, Vincent; Medimagh, Raouf; Bridoux, Alexandre; Razafimahaleo, Vanessa; Gaucher, Anne; Marque, Sylvain; Marrot, Jérôme; Prim, Damien; Gil, Richard; Planas, José Giner; Viñas, Clara; Thomas, Isabelle; Roblin, Jean-Philippe; Troin, Yves","N-Heterocyclic Pyridylmethylamines: Synthesis, Complexation, Molecular Structure, and Application to Asymmetric Suzuki‒Miyaura and Oxidative Coupling Reactions","Organometallics","2011","30","15","4074","","10.1021/om200375s","","","0.71073","MoKα","","0.0187","0.0157","","","0.0476","0.0627","","","","","","1.412","","","","has coordinates","243621","2020-10-21","18:00:00",""
"4089374","10.1669","0.0012","11.8011","0.0013","15.7914","0.0018","90","","90","","90","","1894.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 Pd -","- C20 H20 Cl2 N2 Pd -","- C80 H80 Cl8 N8 Pd4 -","4","1","","Grach, Guillaume; Pieters, Grégory; Dinut, Aurelia; Terrasson, Vincent; Medimagh, Raouf; Bridoux, Alexandre; Razafimahaleo, Vanessa; Gaucher, Anne; Marque, Sylvain; Marrot, Jérôme; Prim, Damien; Gil, Richard; Planas, José Giner; Viñas, Clara; Thomas, Isabelle; Roblin, Jean-Philippe; Troin, Yves","N-Heterocyclic Pyridylmethylamines: Synthesis, Complexation, Molecular Structure, and Application to Asymmetric Suzuki‒Miyaura and Oxidative Coupling Reactions","Organometallics","2011","30","15","4074","","10.1021/om200375s","","","0.71073","MoKα","","0.0217","0.0212","","","0.0497","0.0499","","","","","","1.114","","","","has coordinates","243621","2020-10-21","18:00:00",""
"4089375","9.5902","0.0005","11.5116","0.0006","14.6184","0.0007","90","","90","","90","","1613.85","0.14","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl2 N2 Pd -","- C15 H18 Cl2 N2 Pd -","- C60 H72 Cl8 N8 Pd4 -","4","1","","Grach, Guillaume; Pieters, Grégory; Dinut, Aurelia; Terrasson, Vincent; Medimagh, Raouf; Bridoux, Alexandre; Razafimahaleo, Vanessa; Gaucher, Anne; Marque, Sylvain; Marrot, Jérôme; Prim, Damien; Gil, Richard; Planas, José Giner; Viñas, Clara; Thomas, Isabelle; Roblin, Jean-Philippe; Troin, Yves","N-Heterocyclic Pyridylmethylamines: Synthesis, Complexation, Molecular Structure, and Application to Asymmetric Suzuki‒Miyaura and Oxidative Coupling Reactions","Organometallics","2011","30","15","4074","","10.1021/om200375s","","","0.71073","MoKα","","0.0277","0.0166","","","0.0482","0.0732","","","","","","1.484","","","","has coordinates","243621","2020-10-21","18:00:00",""
"4089376","10.5576","0.0006","11.9278","0.0006","24.2325","0.0013","90","","98.135","0.002","90","","3020.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 B F15 N -","- C34 H21 B F15 N -","- C136 H84 B4 F60 N4 -","4","1","","Farrell, Jeffrey M.; Heiden, Zachariah M.; Stephan, Douglas W.","Metal-Free Transfer Hydrogenation Catalysis by B(C6F5)3","Organometallics","2011","30","17","4497","","10.1021/om2005832","","","0.71073","MoKα","","0.1204","0.0523","","","0.0993","0.1221","","","","","","0.967","","","","has coordinates","243622","2020-10-21","18:00:00",""
"4089377","7.5592","0.0006","18.2567","0.0014","10.8792","0.0008","90","","92.18","0.004","90","","1500.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl N -","- C16 H20 Cl N -","- C64 H80 Cl4 N4 -","4","1","","Farrell, Jeffrey M.; Heiden, Zachariah M.; Stephan, Douglas W.","Metal-Free Transfer Hydrogenation Catalysis by B(C6F5)3","Organometallics","2011","30","17","4497","","10.1021/om2005832","","","0.71073","MoKα","","0.106","0.0511","","","0.1157","0.1417","","","","","","0.905","","","","has coordinates","243623","2020-10-21","18:00:00",""
"4101604","10.017","0.002","12.087","0.002","12.384","0.003","90","","109.61","0.03","90","","1412.4","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 S3 -","- C20 H8 S3 -","- C80 H32 S12 -","4","1","","Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian","Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene","Journal of the American Chemical Society","2011","133","1","1","3","10.1021/ja107599r","","","0.71073","MoKα","","0.088","0.0772","","","0.1892","0.1976","","","","","","1.123","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101605","9.6585","0.0019","4.3731","0.0009","15.436","0.003","90","","98.37","0.03","90","","645","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 S2 -","- C20 H8 S2 -","- C40 H16 S4 -","2","0.5","","Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian","Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene","Journal of the American Chemical Society","2011","133","1","1","3","10.1021/ja107599r","","","0.71073","MoKα","","0.064","0.0564","","","0.146","0.1523","","","","","","1.126","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101606","10.9098","0.0004","11.9108","0.0005","11.298","0.0004","90","","113.769","0.002","90","","1343.58","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O8 -","- C30 H34 O8 -","- C60 H68 O16 -","2","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.0413","0.0353","","","0.0999","0.1212","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101607","7.588","0.0001","5.816","0.0001","8.8911","0.0002","90","","101.966","0.001","90","","383.854","0.012","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 I O2 -","- C7 H7 I O2 -","- C14 H14 I2 O4 -","2","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","0.71073","MoKα","","0.0188","0.0187","","","0.0483","0.0483","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101608","8.0008","0.0002","19.2436","0.0004","36.6855","0.0008","90","","90","","90","","5648.3","0.2","84","2","84","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O8 -","- C32 H34 O8 -","- C256 H272 O64 -","8","2","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.1094","0.0971","","","0.2532","0.2642","","","","","","1.073","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101609","8.1103","0.0003","12.5967","0.0005","16.9792","0.0006","90","","90","","90","","1734.65","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl2 O4 -","- C17 H20 Cl2 O4 -","- C68 H80 Cl8 O16 -","4","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.0601","0.0492","","","0.1242","0.1298","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101610","8.96","0.003","9.118","0.002","11.358","0.004","78.117","0.012","85.055","0.013","62.857","0.009","808","0.4","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Kondo, Masataka; Kochi, Takuya; Kakiuchi, Fumitoshi","Rhodium-catalyzed anti-Markovnikov intermolecular hydroalkoxylation of terminal acetylenes.","Journal of the American Chemical Society","2011","133","1","32","34","10.1021/ja1097385","","","0.7107","MoKα","","0.0408","0.035","","","0.0954","0.098","","","","","","1.103","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4101611","23.73","0.007","51.137","0.015","23.859","0.008","90","","90.629","0.008","90","","28951","15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C338 H258 N8 Ni2 O16 -","- C338 H258 N8 Ni2 O16 -","- C1352 H1032 N32 Ni8 O64 -","4","1","","Davis, Nicola K. S.; Thompson, Amber L.; Anderson, Harry L.","A porphyrin fused to four anthracenes.","Journal of the American Chemical Society","2011","133","1","30","31","10.1021/ja109671f","","","0.6889","Synchrotron","","0.1292","0.0966","","0.2979","0.255","0.2978","","","","","","1.0382","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101612","13.2896","0.0014","5.7582","0.0006","15.3496","0.0016","90","","106.088","0.001","90","","1128.6","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 O S2 -","- C12 H12 O S2 -","- C48 H48 O4 S8 -","4","2","","Fujisaki, Junichi; Matsumoto, Kenji; Matsumoto, Kazuhiro; Katsuki, Tsutomu","Catalytic asymmetric oxidation of cyclic dithioacetals: highly diastereo- and enantioselective synthesis of the S-oxides by a chiral aluminum(salalen) complex","Journal of the American Chemical Society","2011","133","1","56","61","10.1021/ja106877x","","","0.71073","MoKα","","0.0186","0.0184","","","0.0499","0.0501","","","","","","1.061","","","","has coordinates","210877","2020-10-21","18:00:00",""
"4101613","9.0294","0.0005","9.6581","0.0005","19.4301","0.001","79.283","0.001","79.355","0.001","79.77","0.001","1618.13","0.15","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 I N O -","- C16 H20 I N O -","- C64 H80 I4 N4 O4 -","4","2","","Guthrie, David B.; Geib, Steven J.; Curran, Dennis P.","Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers.","Journal of the American Chemical Society","2011","133","1","115","122","10.1021/ja108795x","","","0.71073","MoKα","","0.0627","0.049","","","0.141","0.1482","","","","","","1.184","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101614","9.3192","0.0003","9.4812","0.0003","19.0469","0.0007","98.053","0.001","96.624","0.001","101.069","0.001","1617.72","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 I N O -","- C16 H20 I N O -","- C64 H80 I4 N4 O4 -","4","2","","Guthrie, David B.; Geib, Steven J.; Curran, Dennis P.","Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers.","Journal of the American Chemical Society","2011","133","1","115","122","10.1021/ja108795x","","","0.71073","MoKα","","0.0536","0.039","","","0.1177","0.1298","","","","","","1.039","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101615","9.7112","0.0015","11.6237","0.0017","14.127","0.002","90","","94.332","0.003","90","","1590.1","0.4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C64 H72 I4 N4 O12 -","4","1","","Guthrie, David B.; Geib, Steven J.; Curran, Dennis P.","Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers.","Journal of the American Chemical Society","2011","133","1","115","122","10.1021/ja108795x","","","0.71073","MoKα","","0.0433","0.0362","","","0.1071","0.1128","","","","","","0.996","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101616","11.4534","0.0007","16.2945","0.001","22.1655","0.0013","90","","90.677","0.001","90","","4136.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29.66 H10 B Cl4 N10.33 Re -","- C29.66 H10 B Cl4 Cu N10.33 Re -","- C118.64 H40 B4 Cl16 Cu4 N41.32 Re4 -","4","1","","Harris, T. David; Coulon, Claude; Clérac, Rodolphe; Long, Jeffrey R.","Record ferromagnetic exchange through cyanide and elucidation of the magnetic phase diagram for a Cu(II)Re(IV)(CN)2 chain compound.","Journal of the American Chemical Society","2011","133","1","123","130","10.1021/ja108575t","","","0.7749","synchrotron","","0.0717","0.0684","","","0.1882","0.1889","","","","","","2.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101617","14.185","0.003","22.009","0.004","12.008","0.002","90","","110.853","0.003","90","","3503.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H10 Cl3 Co F15 N4 -","- C38 H10 Cl3 Co F15 N4 -","- C152 H40 Cl12 Co4 F60 N16 -","4","1","","Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.","Hangman corroles: efficient synthesis and oxygen reaction chemistry.","Journal of the American Chemical Society","2011","133","1","131","140","10.1021/ja108904s","","","0.71073","MoKα","","0.0812","0.0589","","","0.149","0.1704","","","","","","1.052","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101618","12.5672","0.0004","14.0364","0.0005","18.2951","0.0006","68.058","0.002","87.816","0.002","73.334","0.002","2859.03","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H81 N4 O3 -","- C70 H81 N4 O3 -","- C140 H162 N8 O6 -","2","1","","Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.","Hangman corroles: efficient synthesis and oxygen reaction chemistry.","Journal of the American Chemical Society","2011","133","1","131","140","10.1021/ja108904s","","","1.54178","CuKα","","0.0818","0.0694","","","0.1956","0.2093","","","","","","1.032","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101619","8.517","0.0003","17.212","0.0005","19.8004","0.0006","111.439","0.002","96.92","0.002","102.502","0.002","2573.31","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H54 F10 N4 O3 -","- C61 H54 F10 N4 O3 -","- C122 H108 F20 N8 O6 -","2","1","","Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.","Hangman corroles: efficient synthesis and oxygen reaction chemistry.","Journal of the American Chemical Society","2011","133","1","131","140","10.1021/ja108904s","","","1.54178","CuKα","","0.0544","0.0488","","","0.1394","0.1465","","","","","","1.058","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4105515","22.4939","0.0013","41.963","0.002","30.9247","0.0017","90","","108.129","0.001","90","","27741","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C231 H215 N27 Na Nd17 Se34 -","- C231 H215 N27 Na Nd17 Se34 -","- C924 H860 N108 Na4 Nd68 Se136 -","4","0.5","","Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex","Journal of the American Chemical Society","2011","133","","373","378","10.1021/ja1069322","","","0.71073","MoKα","","0.0828","0.0516","","","0.1425","0.1544","","","","","","1.075","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105516","22.5455","0.0011","42.056","0.002","31.0886","0.0016","90","","108.099","0.001","90","","28019","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C231 H215 Ce17 N27 Na Se34 -","- C231 H215 Ce17 N27 Na Se34 -","- C924 H860 Ce68 N108 Na4 Se136 -","4","0.5","","Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex","Journal of the American Chemical Society","2011","133","","373","378","10.1021/ja1069322","","","0.71073","MoKα","","0.0984","0.0509","","","0.1426","0.1623","","","","","","1.066","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105517","10.8106","0.0008","10.8904","0.0008","11.0467","0.0008","85.761","0.001","76.874","0.001","89.456","0.001","1263.07","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","eistl01","","","- C28 H31 B F2 N4 -","- C28 H31 B F2 N4 -","- C56 H62 B2 F4 N8 -","2","1","","Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg","Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates","Journal of the American Chemical Society","2011","133","","350","364","10.1021/ja1070366","","","0.71073","MoKα","","0.0781","0.0487","","","0.1229","0.1379","","","","","","1.023","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105518","37.713","0.003","7.6858","0.0006","22.7719","0.0019","90","","99.304","0.001","90","","6513.7","0.9","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","eistl02","","","- C34.5 H36 B Cl F2 N4 Pt S2 -","- C34.5 H36 B Cl F2 N4 Pt S2 -","- C276 H288 B8 Cl8 F16 N32 Pt8 S16 -","8","1","","Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg","Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates","Journal of the American Chemical Society","2011","133","","350","364","10.1021/ja1070366","","","0.71073","MoKα","","0.0411","0.0276","","","0.0547","0.0582","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105519","15.0469","0.0011","11.4513","0.0008","13.4908","0.001","90","","103.051","0.001","90","","2264.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","eistl06","","","- C24 H28 N2 Pt S2 -","- C24 H28 N2 Pt S2 -","- C96 H112 N8 Pt4 S8 -","4","1","","Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg","Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates","Journal of the American Chemical Society","2011","133","","350","364","10.1021/ja1070366","","","0.71073","MoKα","","0.0442","0.0236","","","0.0585","0.0724","","","","","","1.087","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105520","19.3366","0.0009","11.8007","0.0005","25.3005","0.0016","90","","99.686","0.001","90","","5690.9","0.5","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C68 H82 Ge2 -","- C68 H82 Ge2 -","- C272 H328 Ge8 -","4","0.5","","Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power","Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage","Journal of the American Chemical Society","2011","133","","180","183","10.1021/ja107380p","","","0.71073","MoKα","","0.0339","0.0297","","","0.0753","0.0768","","","","","","1.068","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105521","13.0753","0.0007","34.0196","0.0017","13.3778","0.0007","90","","93.156","0.002","90","","5941.6","0.5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H92 Ge2 O -","- C72 H92 Ge2 O -","- C288 H368 Ge8 O4 -","4","1","","Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power","Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage","Journal of the American Chemical Society","2011","133","","180","183","10.1021/ja107380p","","","1.54178","CuKα","","0.0309","0.0298","","","0.1299","0.1348","","","","","","2.059","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105522","12.3808","0.0003","12.7008","0.0003","23.8421","0.0005","92.965","0.001","97.411","0.001","106.948","0.001","3540.49","0.14","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H43.5 N7 Na O51.5 P Re W12 -","- C33 H39 N7 Na O51.5 P Re W12 -","- C66 H78 N14 Na2 O103 P2 Re2 W24 -","2","1","","Jessica Ettedgui; Yael Diskin-Posner; Lev Weiner; Ronny Neumann","Photoreduction of Carbon Dioxide to Carbon Monoxide with Hydrogen Catalyzed by a Rhenium(I) Phenanthroline-Polyoxometalate Hybrid Complex","Journal of the American Chemical Society","2011","133","","188","190","10.1021/ja1078199","","","0.71073","MoKα","","0.0602","0.0395","","","0.0806","0.088","","","","","","1.054","","","","has coordinates,has disorder","286259","2023-09-07","06:03:18",""
"4105523","10.49","0.002","6.2315","0.0012","14.9","0.003","90","","92.2","0.03","90","","973.3","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C40 H64 O12 -","2","1","","K. C. Nicolaou; Jae Hong Seo; Tsuyoshi Nakamura; Robert J. Aversa","Synthesis of the C'D'E'F' Domain of Maitotoxin","Journal of the American Chemical Society","2011","133","","214","219","10.1021/ja109531d","","","0.71073","MoKα","","0.0804","0.0671","","","0.17","0.1802","","","","","","1.092","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105524","5.8955","0.0008","7.4844","0.001","28.011","0.004","90","","90","","90","","1236","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Israel Cano; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Regioselective Formation of 2,5-Disubstituted Oxazoles Via Copper(I)-Catalyzed Cycloaddition of Acyl Azides and 1-Alkynes","Journal of the American Chemical Society","2011","133","","191","193","10.1021/ja109732s","","","0.71073","MoKα","","0.0608","0.0508","","","0.1133","0.1184","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105525","14.772","0.009","6.001","0.004","19.196","0.009","90","","95.31","0.02","90","","1694.4","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Israel Cano; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Regioselective Formation of 2,5-Disubstituted Oxazoles Via Copper(I)-Catalyzed Cycloaddition of Acyl Azides and 1-Alkynes","Journal of the American Chemical Society","2011","133","","191","193","10.1021/ja109732s","","","0.71073","MoKα","","0.0942","0.072","","","0.1969","0.2343","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105526","13.7023","0.0002","14.0842","0.0003","23.0481","0.0004","84.632","0.001","76.883","0.001","68.292","0.001","4024.46","0.13","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H147 F48 N13 O16 P8 -","- C154 H147 F48 N13 O16 P8 -","- C154 H147 F48 N13 O16 P8 -","1","0.5","","Lei Fang; Subhadeep Basu; Chi-Hau Sue; Albert C. Fahrenbach; J. Fraser Stoddart","Syntheses and Dynamics of Donor-Acceptor [2]Catenanes in Water","Journal of the American Chemical Society","2011","133","","396","399","10.1021/ja1087562","","","0.71073","MoKα","","0.1828","0.0888","","","0.2401","0.2669","","","","","","1.001","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105527","13.7694","0.0006","14.0822","0.0008","21.339","0.0012","82.096","0.005","88.638","0.004","69.667","0.004","3841.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H78 F12 N10 O14 -","- C79.8315 H78 F12 N10 O14 -","- C159.663 H156 F24 N20 O28 -","2","1","","Lei Fang; Subhadeep Basu; Chi-Hau Sue; Albert C. Fahrenbach; J. Fraser Stoddart","Syntheses and Dynamics of Donor-Acceptor [2]Catenanes in Water","Journal of the American Chemical Society","2011","133","","396","399","10.1021/ja1087562","","","1.54178","CuKα","","0.1456","0.0908","","","0.2557","0.2926","","","","","","0.983","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105528","9.0489","0.0009","11.8543","0.0012","14.1652","0.0014","96.5484","0.0012","99.1573","0.0012","90.8419","0.0012","1489.5","0.3","143","2","143","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H43 N O4 Si -","- C32 H43 N O4 Si -","- C64 H86 N2 O8 Si2 -","2","2","","Christian C. Ventocilla; K. A. Woerpel","Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes","Journal of the American Chemical Society","2011","133","","406","408","10.1021/ja109631z","","","0.71073","MoKα","","0.0424","0.0391","","","0.1009","0.1037","","","","","","1.032","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105529","9.5046","0.0006","10.9462","0.0006","11.6723","0.0007","76.749","0.001","84.122","0.001","88.032","0.001","1175.76","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 O3 Si -","- C24 H38 O3 Si -","- C48 H76 O6 Si2 -","2","1","","Christian C. Ventocilla; K. A. Woerpel","Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes","Journal of the American Chemical Society","2011","133","","406","408","10.1021/ja109631z","","","0.71073","MoKα","","0.0379","0.034","","","0.0901","0.0931","","","","","","1.043","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105530","11.0642","0.0007","11.6068","0.0008","15.0911","0.0009","106.687","0.006","97.085","0.005","108.966","0.006","1704.7","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 B2 O4 -","- C38 H42 B2 O4 -","- C76 H84 B4 O8 -","2","1","","Yi Liu; Chunmei Deng; Li Tang; Anjun Qin; Rongrong Hu; Jing Zhi Sun; Ben Zhong Tang","Specific Detection of d-Glucose by a Tetraphenylethene-Based Fluorescent Sensor","Journal of the American Chemical Society","2011","133","","660","663","10.1021/ja107086y","","x-ray","1.5418","CuKα","","0.0827","0.0684","","","0.183","0.1952","","","","","","1.027","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105531","31.117","0.003","51.828","0.003","48.797","0.003","90","","99.95","0.002","90","","77513","10","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C588 H509 B32 F128 N150 O11 Zn16 -","- C588 H498 B28 F118 N150 O11 Zn16 -","- C2352 H1992 B112 F472 N600 O44 Zn64 -","4","0.5","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","1.54178","CuKα","","0.2594","0.1882","","","0.4695","0.5014","","","","","","1.358","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105532","31.7261","0.0011","56.9758","0.0017","29.7638","0.0009","90","","90","","90","","53802","3","150","2","150","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C216 H180 B12 Cu6 F48 N54 -","- C216 H180 B6 Cu6 F24 N54 -","- C1728 H1440 B48 Cu48 F192 N432 -","8","1","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","0.71073","MoKα","","0.2267","0.1068","","","0.2721","0.3227","","","","","","0.91","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105533","26.0607","0.0003","26.0607","0.0003","98.7782","0.0014","90","","90","","120","","58098.4","1.3","120","2","120","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C306 H294 B12 F60 N90 Ni8 O36 Si2 -","- C306 H294 B9 F44.04 N90 Ni8 O36 Si2.01 -","- C1836 H1764 B54 F264.24 N540 Ni48 O216 Si12.06 -","6","0.166667","","Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward","Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion","Journal of the American Chemical Society","2011","133","","858","870","10.1021/ja107403p","","","0.71073","MoKα","","0.1462","0.1294","","","0.396","0.4101","","","","","","1.736","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105534","16.8292","0.0003","11.1616","0.0002","18.6043","0.0003","90","","101.781","0.0011","90","","3421.03","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C35 H30 Cl4 N2 O2 P2 Pt -","- C35 H30 Cl4 N2 O2 P2 Pt -","- C140 H120 Cl16 N8 O8 P8 Pt4 -","4","1","","Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit","Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System","Journal of the American Chemical Society","2011","133","","964","975","10.1021/ja108639e","","","0.71073","MoKα","","0.025","0.0205","","","0.0478","0.0496","","","","","","1.059","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105535","8.4262","0.0004","9.0456","0.0004","10.2473","0.0006","70.43","0.002","75.028","0.003","79.883","0.003","707.53","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N O P -","- C17 H14 N O P -","- C34 H28 N2 O2 P2 -","2","1","","Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit","Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System","Journal of the American Chemical Society","2011","133","","964","975","10.1021/ja108639e","","","0.71073","MoKα","","0.0541","0.038","","","0.0896","0.0963","","","","","","1.031","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105536","18.398","0.0016","14.4711","0.0013","23.748","0.002","90","","107.307","0.001","90","","6036.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(di(hexafluoroacetylacetonate)-zinc(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 F24 O8 Pb Zn -","- C20 H4 F24 O8 Pb Zn -","- C160 H32 F192 O64 Pb8 Zn8 -","8","2","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0635","0.0433","","","0.1092","0.1222","","","","","","1.028","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105537","18.4611","0.0016","12.6354","0.0011","13.6823","0.0011","90","","97.755","0.001","90","","3162.4","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(di(hexafluoroacetylacetonate)-nickel(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 F24 Ni O8 Pb -","- C20 H4 F24 Ni O8 Pb -","- C80 H16 F96 Ni4 O32 Pb4 -","4","0.5","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0625","0.0538","","","0.1433","0.1516","","","","","","1.045","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105538","11.443","0.002","22.897","0.005","12.674","0.003","90","","109.2","0.03","90","","3136","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(di(hexafluoroacetylacetonate)-cobalt(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 Co F24 O8 Pb -","- C20 H4 Co F24 O8 Pb -","- C80 H16 Co4 F96 O32 Pb4 -","4","0.5","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0601","0.0597","","","0.1562","0.1564","","","","","","1.204","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105539","11.4406","0.0006","12.3702","0.0007","13.582","0.0008","65.896","0.001","66.64","0.001","64.316","0.001","1523.87","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-(di(hexafluoroacetylacetonate)-iron(II)- di(hexafluoroacetylacetonate)-lead(II))","","- C20 H4 F24 Fe O8 Pb -","- C20 H4 F24 Fe O8 Pb -","- C40 H8 F48 Fe2 O16 Pb2 -","2","1","","Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev","Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides","Journal of the American Chemical Society","2011","133","","692","694","10.1021/ja109128r","","","0.71073","MoKα","","0.0418","0.0384","","","0.0964","0.0991","","","","","","1.03","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105540","4.999","0.0012","9.208","0.003","16.145","0.004","90","","90","","90","","743.2","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 F N2 O3 -","- C5 H9 F N2 O3 -","- C20 H36 F4 N8 O12 -","4","1","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0297","0.0288","","","0.0719","0.0728","","","","","","1.092","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105541","4.9856","0.0008","9.1624","0.0013","16.117","0.002","90","","90","","90","","736.23","0.18","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 F N2 O3 -","- C5 H9 F N2 O3 -","- C20 H36 F4 N8 O12 -","4","1","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.026","0.0233","","","0.0562","0.0577","","","","","","1.08","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105542","5.8761","0.0005","12.7456","0.0012","19.2364","0.0018","105.615","0.006","90.264","0.006","93.624","0.006","1384.4","0.2","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H39 F N2 O9 -","- C24 H39 F N2 O9 -","- C48 H78 F2 N4 O18 -","2","2","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0504","0.044","","","0.1118","0.1161","","","","","","1.032","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105543","5.8599","0.0004","12.7267","0.0009","19.2131","0.0012","105.576","0.004","90.305","0.004","93.135","0.004","1377.87","0.16","93","1","93","1","","","","","","","","5","P 1","P 1","1","","","","- C24 H39 F N2 O9 -","- C24 H39 F N2 O9 -","- C48 H78 F2 N4 O18 -","2","2","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0488","0.0446","","","0.1157","0.1196","","","","","","1.065","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105544","13.935","0.006","14.557","0.006","17.158","0.009","83.02","0.02","80.76","0.02","63.387","0.014","3067","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","7","","","- C72 H59 B F15 Hf N3 -","- C72 H59 B F15 Hf N3 -","- C144 H118 B2 F30 Hf2 N6 -","2","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.1249","0.0692","","","0.1559","0.2215","","","","","","1.06","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105545","11.116","0.004","26.089","0.009","11.661","0.004","90","","96.79","0.005","90","","3358","2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2","","","- C41 H44 Hf N2 -","- C41 H44 Hf N2 -","- C164 H176 Hf4 N8 -","4","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.1349","0.078","","","0.1752","0.2183","","","","","","1.043","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105546","11.146","0.007","13.285","0.006","19.22","0.011","69.96","0.02","88.4","0.03","69.84","0.02","2497","2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","5","","","- C58 H67 Hf N3 -","- C58 H67 Hf N3 -","- C116 H134 Hf2 N6 -","2","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.0491","0.043","","","0.1143","0.1266","","","","","","1.118","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105547","15.052","0.005","15.792","0.005","16.173","0.006","90","","97.127","0.003","90","","3815","2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6","","","- C46 H49 Hf N3 -","- C46 H49 Hf N3 -","- C184 H196 Hf4 N12 -","4","1","","Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima","Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes","Journal of the American Chemical Society","2011","133","","732","735","10.1021/ja1100118","","","0.71075","MoKα","","0.0434","0.0358","","","0.0816","0.0853","","","","","","1.12","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105548","42.153","0.001","42.153","0.001","42.153","0.001","90","","90","","90","","74901","3","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C33 H15 Cu3 N3 O18 -","- C33 H15 Cu3 N3 O18 -","- C1056 H480 Cu96 N96 O576 -","32","0.166667","","Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko","Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups","Journal of the American Chemical Society","2011","133","","748","751","10.1021/ja110042b","","","0.71073","MoKα","","0.0767","0.0553","","","0.151","0.1635","","","","","","1.108","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105549","42.3067","0.0007","42.3067","0.0007","42.3067","0.0007","90","","90","","90","","75723","2","298","2","298","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C34.5 H15 Co3 N3.75 O25.07 -","- C34.5 H15 Co3 N3.75 O25.135 -","- C1104 H480 Co96 N120 O804.32 -","32","0.333333","","Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko","Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups","Journal of the American Chemical Society","2011","133","","748","751","10.1021/ja110042b","","","0.71073","MoKα","","0.1657","0.0818","","","0.2115","0.2613","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105550","17.515","0.003","28.008","0.004","29.362","0.004","90","","90","","90","","14404","4","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C89 H86 Cl2 N2 Ni O5 -","- C89 H86 Cl2 N2 Ni O5 -","- C712 H688 Cl16 N16 Ni8 O40 -","8","0.5","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.0947","0.0718","","","0.1725","0.1832","","","","","","0.982","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105551","13.3746","0.001","24.1618","0.0018","23.9714","0.0018","90","","103.287","0.002","90","","7539.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97 H91 N3 Ni O -","- C97 H91 N3 Ni O -","- C388 H364 N12 Ni4 O4 -","4","1","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.108","0.0553","","","0.0843","0.091","","","","","","0.925","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105552","10.975","0.0006","16.026","0.0009","19.376","0.0011","79.074","0.001","85.095","0.001","89.287","0.001","3333.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H80 N2 Ni -","- C87 H80 N2 Ni -","- C174 H160 N4 Ni2 -","2","1","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.041","0.036","","","0.0967","0.0988","","","","","","1.097","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105553","8.6114","0.0004","14.2075","0.0006","12.6871","0.0006","90","","104.609","0.003","90","","1502.04","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","2","","Sergiy Levin; Roger R. Nani; Sarah E. Reisman","Enantioselective Total Synthesis of (+)-Salvileucalin B","Journal of the American Chemical Society","2011","133","","774","776","10.1021/ja110192b","","","0.71073","MoKα","","0.0565","0.0443","","","0.0518","0.0539","","","","","","1.675","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105554","7.3019","0.0006","9.615","0.009","13.028","0.002","75.958","0.005","75.473","0.005","80.71","0.006","854","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Jason R. Zbieg; Emma L. McInturff; Joyce C. Leung; Michael J. Krische","Amplification of Anti-Diastereoselectivity via Curtin-Hammett Effects in Ruthenium-Catalyzed Hydrohydroxyalkylation of 1,1-Disubstituted Allenes: Diastereoselective Formation of All-Carbon Quaternary Centers","Journal of the American Chemical Society","2011","133","","1141","1144","10.1021/ja1104156","","","1.5418","CuKα","","0.1241","0.0688","","","0.1592","0.2202","","","","","","1.198","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105555","17.91","0.004","13.236","0.003","23.515","0.005","90","","90","","90","","5574","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 6","","","- C57 H66 N2 O9 Sn W -","- C57 H66 N2 O9 Sn W -","- C228 H264 N8 O36 Sn4 W4 -","4","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0258","0.0227","","","0.0506","0.0515","","","","","","1.118","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105556","14.33","0.006","19.457","0.008","26.718","0.01","90","","90","","90","","7449","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3","","","- C33.5 H41.5 N2 O5 Sn W -","- C33.5 H41.5 N2 O5 Sn W -","- C268 H332 N16 O40 Sn8 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0489","0.0446","","","0.1565","0.16","","","","","","1.173","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105557","14.6626","0.0005","19.5017","0.0006","26.3383","0.0008","90","","90","","90","","7531.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 5","","","- C36 H46 Ge N2 O6 W -","- C36 H46 Ge N2 O6 W -","- C288 H368 Ge8 N16 O48 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0224","0.0175","","","0.0447","0.0474","","","","","","1.037","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105558","26.4514","0.0019","9.6762","0.0007","19.9287","0.0014","90","","95.38","0.001","90","","5078.3","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 B Cl2 F7 O3 S -","- C22 H26 B Cl2 F7 O3 S -","- C176 H208 B8 Cl16 F56 O24 S8 -","8","2","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.1353","0.0675","","","0.1711","0.2096","","","","","","1.034","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105559","16.716","0.015","8.052","0.007","18.649","0.016","90","","104.928","0.012","90","","2425","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 B Cl2 F7 O3 S -","- C21 H24 B Cl2 F7 O3 S -","- C84 H96 B4 Cl8 F28 O12 S4 -","4","1","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.3357","0.1431","","","0.2854","0.3614","","","","","","1.102","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105560","13.182","0.003","19.464","0.005","14.135","0.004","90","","91.468","0.004","90","","3625.5","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O2 S -","- C21 H26 O2 S -","- C168 H208 O16 S8 -","8","2","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.0906","0.0477","","","0.1004","0.1183","","","","","","1.014","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105561","5.9163","0.0011","11.863","0.002","26.721","0.005","90","","90","","90","","1875.4","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O2 S -","- C21 H28 O2 S -","- C84 H112 O8 S4 -","4","1","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.0701","0.0454","","","0.0873","0.0966","","","","","","1.017","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105562","8.6394","0.0002","11.5514","0.0002","14.9011","0.0003","76.524","0.001","79.205","0.001","85.115","0.001","1419.21","0.05","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H38 F6 Fe2 N2 P S2 -","- C22 H38 F6 Fe2 N2 P S2 -","- C44 H76 F12 Fe4 N4 P2 S4 -","2","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0464","0.0378","","","0.1073","0.1123","","","","","","1.041","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105563","18.55","0.0012","10.6374","0.0006","16.4567","0.0009","90","","112.265","0.004","90","","3005.2","0.3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 F6 Fe2 N2 P S2 -","- C24 H42 F6 Fe2 N2 P S2 -","- C96 H168 F24 Fe8 N8 P4 S8 -","4","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0662","0.0485","","","0.1351","0.1448","","","","","","1.083","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105564","18.427","0.004","10.218","0.002","13.047","0.003","90","","90","","90","","2456.6","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H38 Fe2 N2 S2 -","- C22 H38 Fe2 N2 S2 -","- C88 H152 Fe8 N8 S8 -","4","0.5","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0925","0.052","","","0.0992","0.1087","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105565","10.422","0.004","17.643","0.006","17.751","0.006","90","","90.305","0.007","90","","3264","2","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 F6 Fe2 N0 P S2 -","- C30 H42 F6 Fe2 P S2 -","- C120 H168 F24 Fe8 P4 S8 -","4","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0819","0.056","","","0.1003","0.1063","","","","","","0.902","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105566","35.483","0.014","10.195","0.004","21.444","0.009","90","","120.299","0.005","90","","6698","5","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 F6 Fe2 P S2 -","- C32 H46 F6 Fe2 P S2 -","- C256 H368 F48 Fe16 P8 S16 -","8","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.0685","0.047","","","0.1276","0.1366","","","","","","1.072","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105567","13.948","0.0009","14.6111","0.0011","15.6505","0.0013","90","","110.934","0.004","90","","2979","0.4","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 F6 Fe2 N0 P S2 -","- C26 H41 F6 Fe2 P S2 -","- C104 H164 F24 Fe8 P4 S8 -","4","1","","Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu","Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes","Journal of the American Chemical Society","2011","133","","1147","1149","10.1021/ja105948r","","","0.71073","MoKα","","0.111","0.0609","","","0.1551","0.1749","","","","","","0.999","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105568","14.4552","0.0002","8.5295","0.0005","15.6713","0.0004","90","","90","","90","","1932.2","0.13","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","gloria03","gloria03","","- C12 H25 F3 Fe N5 O4 S2 -","- C12 H25 F3 Fe N5 O4 S2 -","- C48 H100 F12 Fe4 N20 O16 S8 -","4","0.5","","Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs","Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite","Journal of the American Chemical Society","2011","133","","1419","1427","10.1021/ja107551u","","","0.71073","MoKα","","0.0822","0.0514","","","0.1268","0.1413","","","","","","1.025","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105569","13.626","0.0005","8.579","0.0009","15.887","0.001","90","","90","","90","","1857.1","0.2","130","2","130","2","","","","","","","","8","P n m a","-P 2ac 2n","62","575nm","575nm","","- C11 H25 F6 Fe N5 O2 P S -","- C11 H25 F6 Fe N5 O2 P S -","- C44 H100 F24 Fe4 N20 O8 P4 S4 -","4","0.5","","Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs","Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite","Journal of the American Chemical Society","2011","133","","1419","1427","10.1021/ja107551u","","","0.71073","MoKα","","0.2284","0.0707","","","0.1326","0.1865","","","","","","1.018","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105570","8.7685","0.0009","14.598","0.0016","38.368","0.004","90","","90","","90","","4911.2","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H81 N O15 -","- C42 H81 N O15 -","- C168 H324 N4 O60 -","4","1","","Jian Tian; Scott J. Dalgarno; Jerry L. Atwood","A New Strategy of Transforming Pharmaceutical Crystal Forms","Journal of the American Chemical Society","2011","133","","1399","1404","10.1021/ja107617m","","","0.71073","MoKα","","0.0799","0.0573","","","0.1381","0.1501","","","","","","1.042","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105571","11.458","0.0004","15.084","0.0003","18.391","0.0006","90","","90","","90","","3178.56","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 O P S -","- C20 H13 O P S -","- C160 H104 O8 P8 S8 -","8","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0703","0.0525","","","0.1462","0.1604","","","","","","1.201","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105572","8.474","0.0003","11.042","0.0003","12.124","0.0004","107.154","0.002","93.401","0.002","104.965","0.002","1035.87","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F3 O3 P S2 -","- C22 H16 F3 O3 P S2 -","- C44 H32 F6 O6 P2 S4 -","2","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0473","0.0414","","","0.1028","0.1101","","","","","","1.073","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105573","8.36","0.0006","9.691","0.0005","11.085","0.0008","67.738","0.004","83.274","0.003","75.59","0.004","804.72","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 O2 P S -","- C20 H13 O2 P S -","- C40 H26 O4 P2 S2 -","2","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0584","0.047","","","0.1225","0.1417","","","","","","1.139","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105574","7.91","0.0003","11.238","0.0003","15.195","0.0005","91.953","0.002","97.815","0.002","102.315","0.002","1304.61","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 F3 O6 P S2 -","- C25 H22 F3 O6 P S2 -","- C50 H44 F6 O12 P2 S4 -","2","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0575","0.0451","","","0.117","0.1377","","","","","","1.12","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105575","7.599","0.0001","11.92","0.0002","23.585","0.0004","90","","90","","90","","2136.33","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 O2 P S -","- C26 H23 O2 P S -","- C104 H92 O8 P4 S4 -","4","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0451","0.0421","","","0.1166","0.12","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105576","10.005","0.0003","23.945","0.0012","9.833","0.0004","90","","108.515","0.002","90","","2233.76","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H12 F5 O2 P S -","- C27 H12 F5 O2 P S -","- C108 H48 F20 O8 P4 S4 -","4","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.1315","0.0928","","","0.164","0.1847","","","","","","1.203","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105577","6.5874","0.0003","21.8493","0.0009","15.5021","0.0007","90","","91.324","0.004","90","","2230.62","0.17","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O3 S -","- C25 H28 Cl N O3 S -","- C100 H112 Cl4 N4 O12 S4 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","0.71073","MoKα","","0.0708","0.0391","","","0.0752","0.0791","","","","","","1.005","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105578","11.0057","0.0002","15.2127","0.0003","24.8627","0.0003","90","","98.133","0.001","90","","4120.81","0.12","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 F6 O8 Pd2 S2 -","- C40 H46 F6 O8 Pd2 S2 -","- C160 H184 F24 O32 Pd8 S8 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.0553","0.0354","","","0.0537","0.0559","","","","","","1.031","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105579","9.8001","0.0003","17.2851","0.0008","19.9404","0.0005","90","","90","","90","","3377.8","0.2","291","2","291","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl3 F3 N O6 Pd S2 -","- C28 H33 Cl3 F3 N O6 Pd S2 -","- C112 H132 Cl12 F12 N4 O24 Pd4 S8 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.0651","0.05","","","0.1176","0.1225","","","","","","1.017","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105580","12.095","0.005","12.781","0.005","15.3","0.005","71.594","0.005","86.857","0.005","78.665","0.005","2200.3","1.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 F6 O6 Pd2 -","- C42 H46 F6 O6 Pd2 -","- C84 H92 F12 O12 Pd4 -","2","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.12","0.0632","","","0.1458","0.1563","","","","","","1.015","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105581","11.0983","0.0006","13.4473","0.0008","15.9684","0.0006","96.267","0.004","99.984","0.004","98.252","0.005","2300.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H86 Cl8 F6 N8 O22 Pd2 S10 -","- C66 H86 Cl8 F6 N8 O22 Pd2 S10 -","- C66 H86 Cl8 F6 N8 O22 Pd2 S10 -","1","0.5","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","0.71073","MoKα","","0.1377","0.1054","","","0.3295","0.3411","","","","","","1.091","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105582","10.7141","0.0006","24.593","0.002","30.357","0.002","90","","96.391","0.006","90","","7949.1","0.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N2 O5 S2 -","- C26 H25 Cl N2 O5 S2 -","- C312 H300 Cl12 N24 O60 S24 -","12","3","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.1288","0.0729","","","0.159","0.1972","","","","","","1.026","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105583","6.0541","0.0002","14.8692","0.0005","33.1481","0.0008","90","","90","","90","","2983.98","0.16","173","2","173","2","","","","","","","C. S. Lee / Prof. C. Forsyth","4","P 21 21 21","P 2ac 2ab","19","97051a","","","- C23 H39 N O7 -","- C23 H39 N O7 -","- C92 H156 N4 O28 -","4","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.0896","0.0578","","0.1417","0.133","","","","0.974","1.196","1.196","","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105584","9.1219","0.001","9.797","0.0011","14.6276","0.0016","90","","98.977","0.002","90","","1291.2","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","02139","","","- C25 H37 N O7 -","- C25 H37 N O7 -","- C50 H74 N2 O14 -","2","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.0309","0.0295","","","0.0716","0.0723","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105585","15.3315","0.0009","8.2072","0.0005","17.2595","0.0011","90","","99.414","0.001","90","","2142.5","0.2","173","2","173","2","","","","","","","R. Cink / Prof. C. Forsyth","4","P 1 21 1","P 2yb","4","96202","","","- C41 H62 O8 Si2 -","- C41 H62 O8 Si2 -","- C82 H124 O16 Si4 -","2","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.2103","0.094","","0.1952","0.1477","","","","0.953","1.171","1.171","","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105586","21.3411","0.0002","21.3411","0.0002","27.0738","0.0003","90","","90","","90","","12330.6","0.2","173","2","173","2","","","","","","","R. Cink / Prof. C. Forsyth","5","I 4","I 4","79","97329b","","","- C55 H74 N2 O10 Si -","- C55 H74 N2 O10 Si -","- C440 H592 N16 O80 Si8 -","8","1","","Bo Wang; T. Matthew Hansen; Lynn Weyer; Dimao Wu; Ting Wang; Mathias Christmann; Yingtao Lu; Lu Ying; Mary M. Engler; Russell D. Cink; Chi-Sing Lee; Feryan Ahmed; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Convergent Total Synthesis","Journal of the American Chemical Society","2011","133","","1506","1516","10.1021/ja1089099","","","0.71073","MoKα","","0.1186","0.0712","","0.1939","0.1711","","","","1.008","1.21","1.21","","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105587","8.6927","0.0005","14.146","0.0007","11.0283","0.0006","90","","101.858","0.006","90","","1327.18","0.13","100","2","100","2","","","","","","","Didier Pintori","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Didier G. Pintori; Michael F. Greaney","Intramolecular Oxidative C-H Coupling for Medium-Ring Synthesis","Journal of the American Chemical Society","2011","133","","1209","1211","10.1021/ja1090854","","","0.7107","MoKα","","0.0584","0.0393","","","0.0966","0.1032","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105588","11.8879","0.0003","9.0693","0.0003","12.4154","0.0003","90","","92.315","0.002","90","","1337.47","0.06","100","","100","","","","","","","","Didier Pintori - reaction DP803B","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F N O -","- C18 H14 F N O -","- C72 H56 F4 N4 O4 -","4","1","","Didier G. Pintori; Michael F. Greaney","Intramolecular Oxidative C-H Coupling for Medium-Ring Synthesis","Journal of the American Chemical Society","2011","133","","1209","1211","10.1021/ja1090854","","","1.54178","CuKα","","0.0429","0.0367","","0.1024","0.0995","0.1024","","","","","","0.9536","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105589","11.018","0.002","12.439","0.003","12.576","0.003","118.73","0.03","99.56","0.03","91.47","0.03","1479.3","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-2,6-naphthalenedicarboxylate_10 H2O (I)","","","- C62 H66 N10 O18 -","- C62 H66 N10 O18 -","- C62 H66 N10 O18 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.0864","0.0766","","","0.1924","0.2016","","","","","","1.012","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105590","10.421","0.002","11.556","0.002","14.011","0.003","98.76","0.03","109.73","0.03","101.49","0.03","1511.7","0.7","223","2","223","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-terephthalate_16 H20","","","- C54 H42 N10 O24 -","- C54 H42 N10 O24.02 -","- C54 H42 N10 O24.02 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.1687","0.1062","","","0.2257","0.2814","","","","","","0.966","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105591","10.807","0.002","12.716","0.003","14.113","0.003","69.89","0.03","82.26","0.03","72.19","0.03","1733","0.8","223","2","223","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) di-4,4""-biphenyl dicarboxylate_2DMF_7.5H2O","","","- C72 H64 N12 O17.5 -","- C72 H64 N12 O17.52 -","- C72 H64 N12 O17.52 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.0872","0.08","","","0.2008","0.2068","","","","","","0.871","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105592","11.431","0.002","13.858","0.003","15.183","0.003","116.2","0.003","91.13","0.003","113.54","0.003","1921.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Ag2 N10 O28 -","- C74 H52 Ag2 N10 O28 -","- C74 H52 Ag2 N10 O28 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes","Journal of the American Chemical Society","2011","133","","1526","1533","10.1021/ja109102k","","","0.71073","MoKα","","0.124","0.0925","","","0.1959","0.2209","","","","","","0.978","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105593","15.5209","0.0006","15.5209","0.0006","39.8268","0.0018","90","","90","","120","","8308.8","0.6","296","2","296","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C81 H116 B6 F24 N18 O22 Pd3 -","- C81 H115.99 B6 F24 N18 O22 Pd3 -","- C243 H347.97 B18 F72 N54 O66 Pd9 -","3","0.333333","","Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung","Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes","Journal of the American Chemical Society","2011","133","","1236","1239","10.1021/ja1093925","","","0.71073","MoKα","","0.0625","0.0505","","","0.1333","0.1466","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105594","15.5257","0.0001","15.5257","0.0001","40.6727","0.0007","90","","90","","120","","8490.55","0.17","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H116 Cl6 N18 O47 Pd3 -","- C81 H115.99 Cl6 N18 O47 Pd3 -","- C243 H347.97 Cl18 N54 O141 Pd9 -","3","0.333333","","Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung","Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes","Journal of the American Chemical Society","2011","133","","1236","1239","10.1021/ja1093925","","","0.71073","MoKα","","0.0706","0.0321","","","0.0605","0.0654","","","","","","0.732","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105595","10.125","0.002","13.433","0.003","13.925","0.003","88.83","0.03","69.82","0.03","89.81","0.03","1777.3","0.7","210","2","210","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H38 Si2 -","- C44 H38 Si2 -","- C88 H76 Si4 -","2","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0628","0.0411","","","0.0923","0.0977","","","","","","0.87","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105596","11.06097","0.00014","22.5577","0.0003","32.3831","0.0005","90","","90","","90","","8079.91","0.19","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","STOE & CIE GmbH Hilpertstr. 10 D-64295 Darmstadt Germany","","- C96 H92 K O4 Sc Si4 -","- C96 H92 K O4 Sc Si4 -","- C384 H368 K4 O16 Sc4 Si16 -","4","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0506","0.0427","","","0.0905","0.0931","","","","","","1.084","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105597","14.375","0.006","14.42","0.006","28.45","0.007","88.31","0.03","82.44","0.03","63.69","0.03","5238","4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H124 Ce Li O4 Si4 -","- C124 H124 Ce Li O4 Si4 -","- C248 H248 Ce2 Li2 O8 Si8 -","2","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0537","0.0377","","","0.0843","0.0886","","","","","","0.945","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105598","13.32","0.001","17.329","0.002","16.4549","0.001","90","","112.23","0.02","90","","3515.9","0.7","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H72 Ce Si4 -","- C88 H72 Ce Si4 -","- C176 H144 Ce2 Si8 -","2","0.5","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0715","0.031","","","0.0601","0.0639","","","","","","0.698","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105599","11.6569","0.0008","25.6459","0.0017","26.8855","0.0017","90","","94.549","0.0008","90","","8012.1","0.9","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H88 Si4 U -","- C102 H88 Si4 U -","- C408 H352 Si16 U4 -","4","0.5","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0438","0.0291","","","0.0582","0.0636","","","","","","1.058","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105600","19.6998","0.0006","14.7348","0.0005","15.5859","0.0005","90","","90","","90","","4524.2","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Sc3N@l,2-fullero[80(Ih)]benzyne (5,6 isomer) carbon disulfide disolvate'","","","- C88 H4 N S4 Sc3 -","- C88 H4 N S4 Sc3 -","- C352 H16 N4 S16 Sc12 -","4","0.5","","Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","[2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts","Journal of the American Chemical Society","2011","133","","1563","1571","10.1021/ja1097176","","","0.7749","synchrotron","","0.0699","0.0662","","","0.1962","0.2011","","","","","","1.052","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105601","14.7764","0.0004","15.6777","0.0005","19.5438","0.0006","90","","90","","90","","4527.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sc3N@l,2-fullero[80(Ih)]benzyne (6,6 isomer) carbon disulfide disolvate","","","- C88 H4 N S4 Sc3 -","- C88 H4 N S4 Sc3 -","- C352 H16 N4 S16 Sc12 -","4","1","","Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","[2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts","Journal of the American Chemical Society","2011","133","","1563","1571","10.1021/ja1097176","","","0.7749","syncrotron","","0.057","0.0555","","","0.1502","0.1523","","","","","","1.066","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105602","10.24","0.003","6.0262","0.0016","15.832","0.005","90","0","95.866","0.004","90","0","971.8","0.5","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N'-4,4'-bipiperidinebis(methylenephosphonic acid)","4,4'-bipiperidine-1,1'-diylbis(methylene)diphosphonic acid","","- C12 H26 N2 O10 P2 -","- C12 H26 N2 O10 P2 -","- C24 H52 N4 O20 P4 -","2","0.5","","Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright","Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis","Journal of the American Chemical Society","2011","133","","1266","1269","10.1021/ja1097995","","","0.7107","MoKα","","0.0553","0.0511","","","0.1527","0.156","","","","","","1.139","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105603","41.28697","0.00024","41.28697","","6.26296","0.00007","90","","90","","120","","9245.63","0.12","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Co N O7.73 P -","- C6 Co N O7.72952 P -","- C108 Co18 N18 O139.131 P18 -","18","1","","Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright","Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis","Journal of the American Chemical Society","2011","133","","1266","1269","10.1021/ja1097995","powder diffraction","x-ray","0.825028","synchrotron","","","","","","","","0.05318","","6.72","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105604","12.73727","0.00014","12.73727","0.00014","25.1972","0.0004","90","","90","","90","","4087.94","0.09","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C40 H50 Cl3 Fe N3 S -","- C40 H50 Cl3 Fe N3 S -","- C160 H200 Cl12 Fe4 N12 S4 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0463","0.0382","","","0.0908","0.0929","","","","","","1.016","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105605","12.736","0.0002","18.304","0.0003","17.2827","0.0003","90","","99.0194","0.0017","90","","3979.12","0.12","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39.59 H47.59 F3.25 Fe N3 O3.25 S2 -","- C39.5845 H47.5845 F3.2493 Fe N3 O3.2493 S2 -","- C158.338 H190.338 F12.9972 Fe4 N12 O12.9972 S8 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0686","0.0417","","","0.0925","0.0981","","","","","","0.988","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105606","16.9302","0.0004","11.4976","0.0002","24.1945","0.0007","90","","90","","90","","4709.62","0.19","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C38 H52 Cl2 F6 Fe N4 O8 S2 -","- C38 H52 Cl2 F6 Fe N4 O8 S2 -","- C152 H208 Cl8 F24 Fe4 N16 O32 S8 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0577","0.0381","","","0.0721","0.0759","","","","","","0.948","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105607","8.8538","0.0011","10.9367","0.0014","16.39","0.002","90","","101.059","0.003","90","","1557.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Jason C. Green; Thomas R. R. Pettus","An Oxidative Dearomatization-Induced [5 + 2] Cascade Enabling the Syntheses of α-Cedrene, α-Pipitzol, and sec-Cedrenol","Journal of the American Chemical Society","2011","133","","1603","1608","10.1021/ja109925g","","","0.71073","MoKα","","0.0979","0.066","","","0.1443","0.1557","","","","","","1.422","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105608","11.6445","0.0004","12.6184","0.0004","12.7872","0.0004","90","","97.897","0.002","90","","1861.07","0.11","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H50 Cl2 F6 N4 P Rh -","- C33 H50 Cl2 F6 N4 P Rh -","- C66 H100 Cl4 F12 N8 P2 Rh2 -","2","1","","Peter Gigler; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Hydrosilylation with Biscarbene Rh(I) Complexes: Experimental Evidence for a Silylene-Based Mechanism","Journal of the American Chemical Society","2011","133","","1589","1596","10.1021/ja110017c","","","0.71073","MoKα","","0.0336","0.0295","","","0.0691","0.0731","","","","","","1.092","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105609","12.291","0.002","13.669","0.003","14.416","0.003","90.076","0.004","92.249","0.003","90.223","0.003","2420.1","0.8","153","","153","","","","","","","","","5","P 1","P 1","1","","","","- C46 H40 Cl10 N4 O -","- C46 H40 Cl10 N4 O -","- C92 H80 Cl20 N8 O2 -","2","2","","Kohsuke Ohmatsu; Mari Kiyokawa; Takashi Ooi","Chiral 1,2,3-Triazoliums as New Cationic Organic Catalysts with Anion-Recognition Ability: Application to Asymmetric Alkylation of Oxindoles","Journal of the American Chemical Society","2011","133","","1307","1309","10.1021/ja1102844","","","0.71073","MoKα","","0.0403","0.038","","","0.0976","0.0999","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105610","13.766","0.004","15.624","0.004","25.915","0.008","90","","103.647","0.007","90","","5416","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 N4 O4 Pd -","- C57 H79 N4 O4 Pd -","- C228 H316 N16 O16 Pd4 -","4","1","","Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Catherine S. J. Cazin; Alexandra M. Z. Slawin; Charles Lhermitte; Rajeev Prabhakar; Meaghan E. Germain; Taryn Palluccio; Steven P. Nolan; Elena V. Rybak-Akimova; Manuel Temprado; Burjor Captain; Carl D. Hoff","Oxygen Binding to [Pd(L)(L')] (L= NHC, L' = NHC or PR3, NHC = N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetic trans-[Pd(NHC)2(η1-O2)2] Complex","Journal of the American Chemical Society","2011","133","","1290","1293","10.1021/ja1103348","","","0.71073","MoKα","","0.163","0.1261","","","0.2906","0.3092","","","","","","1.138","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105611","12.2884","0.0005","12.334","0.0005","17.2479","0.0007","82.982","0.001","87.966","0.001","89.015","0.001","2592.74","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H78 N4 O4 Pd -","- C54 H78 N4 O4 Pd -","- C108 H156 N8 O8 Pd2 -","2","1","","Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Catherine S. J. Cazin; Alexandra M. Z. Slawin; Charles Lhermitte; Rajeev Prabhakar; Meaghan E. Germain; Taryn Palluccio; Steven P. Nolan; Elena V. Rybak-Akimova; Manuel Temprado; Burjor Captain; Carl D. Hoff","Oxygen Binding to [Pd(L)(L')] (L= NHC, L' = NHC or PR3, NHC = N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetic trans-[Pd(NHC)2(η1-O2)2] Complex","Journal of the American Chemical Society","2011","133","","1290","1293","10.1021/ja1103348","","","0.71073","MoKα","","0.0527","0.0375","","","0.0848","0.0932","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105612","16.2579","0.0008","17.1922","0.0007","21.1975","0.001","90","","103.262","0.003","90","","5766.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 Al2 B F20 Si2 Zr -","- C54 H57 Al2 B F20 Si2 Zr -","- C216 H228 Al8 B4 F80 Si8 Zr4 -","4","1","","Steven M. Baldwin; John E. Bercaw; Lawrence M. Henling; Michael W. Day; Hans H. Brintzinger","Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations","Journal of the American Chemical Society","2011","133","","1805","1813","10.1021/ja1050428","","","0.71073","MoKα","","0.0795","0.0422","","","0.0681","0.0719","","","","","","1.883","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105613","17.3916","0.0007","26.6355","0.0012","27.3497","0.0012","90","","90","","90","","12669.3","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63.5 H61 Al2 B F20 Si Zr -","- C63.5 H61 Al2 B F20 Si Zr -","- C508 H488 Al16 B8 F160 Si8 Zr8 -","8","2","","Steven M. Baldwin; John E. Bercaw; Lawrence M. Henling; Michael W. Day; Hans H. Brintzinger","Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations","Journal of the American Chemical Society","2011","133","","1805","1813","10.1021/ja1050428","","","0.71073","MoKα","","0.1201","0.0623","","","0.0749","0.0779","","","","","","1.804","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105614","7.6703","0.0006","18.5451","0.0011","13.1767","0.0008","90","","91.644","0.004","90","","1873.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-Dimethyl-3,3'-Methylene-4-Diimidazolin-2,2'-Diylidene-Palladium(IV) Tetrachloride","","- C21 H30 Cl14 N8 Pd2 -","- C21 H30 Cl14 N8 Pd2 -","- C42 H60 Cl28 N16 Pd4 -","2","0.5","","A. Scott McCall; Hongwang Wang; John M. Desper; Stefan Kraft","Bis-N-heterocyclic Carbene Palladium(IV) Tetrachloride Complexes: Synthesis, Reactivity, and Mechanisms of Direct Chlorinations and Oxidations of Organic Substrates","Journal of the American Chemical Society","2011","133","","1832","1848","10.1021/ja107342b","","","0.71073","MoKα","","0.071","0.0465","","","0.107","0.1172","","","","","","1.056","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105615","18.7387","0.0002","21.4365","0.0003","25.4175","0.0003","90","","90","","90","","10210","0.2","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 N4 O40 Si V2 W10 -","- C64 N4 O40 Si V2 W10 -","- C256 N16 O160 Si4 V8 W40 -","4","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.0449","","","","0.1491","","","","","","1.087","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105616","35.6567","0.0001","35.6567","0.0001","16.9867","0.0001","90","","90","","90","","21596.9","0.15","153","2","153","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C68 Cl4 N4 O39 Si V2 W10 -","- C68 Cl4 N4 O39 Si V2 W10 -","- C544 Cl32 N32 O312 Si8 V16 W80 -","8","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.052","","","","0.1366","","","","","","1.088","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105617","35.6802","0.0004","35.6802","0.0004","16.9427","0.0002","90","","90","","90","","21569.4","0.4","153","2","153","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C68 Cl4 N4 O40 Si V2 W10 -","- C68 Cl4 N4 O40 Si V2 W10 -","- C544 Cl32 N32 O320 Si8 V16 W80 -","8","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.0609","","","","0.1683","","","","","","1.095","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105618","20.62","0.0017","20.3363","0.0016","25.951","0.002","90","","90","","90","","10882.1","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H66 Cl8 N12 O4 Pd2 -","- C46 H66 Cl8 N12 O4 Pd2 -","- C368 H528 Cl64 N96 O32 Pd16 -","8","1","","Gary Jing Chuang; Weike Wang; Eunsung Lee; Tobias Ritter","A Dinuclear Palladium Catalyst for α-Hydroxylation of Carbonyls with O2","Journal of the American Chemical Society","2011","133","","1760","1762","10.1021/ja108396k","","","0.71073","MoKα","","0.0295","0.0218","","","0.0496","0.0543","","","","","","1.051","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105619","9.8403","0.001","17.7022","0.0015","15.5474","0.0013","90","","95.805","0.003","90","","2694.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 S4 -","- C11 H13 N O2 S4 -","- C88 H104 N8 O16 S32 -","8","2","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0726","0.0421","","","0.0901","0.1033","","","","","","1.038","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105620","10.6588","0.0008","20.2223","0.0014","7.4519","0.0006","90","","90.946","0.003","90","","1606","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0604","0.0374","","","0.0903","0.1043","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105621","18.1916","0.0015","8.3327","0.0007","20.9582","0.0017","90","","90","","90","","3177","0.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C160 H144 O24 -","8","1","","John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady","Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei","Journal of the American Chemical Society","2011","133","","1638","1641","10.1021/ja1087369","","","0.71073","MoKα","","0.0853","0.052","","","0.1281","0.1499","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105622","24.1624","0.0009","24.1624","0.0009","24.1624","0.0009","90","","90","","90","","14106.5","0.9","173","2","173","2","","","","","","","","8","F -4 3 m","F -4 2 3","216","","","","- C84 H84 Co12 F4 Fe6 N2 O55 P4 -","- C72 H48 Co12 F4 Fe6 O46 P4 -","- C288 H192 Co48 F16 Fe24 O184 P16 -","4","0.0416667","","Sayon A. Kumalah Robinson; Marion-Vincent L. Mempin; Amy J. Cairns; K. Travis Holman","A Cubic, 12-Connected, Microporous Metal-Organometallic Phosphate Framework Sustained by Truncated Tetrahedral Nodes","Journal of the American Chemical Society","2011","133","","1634","1637","10.1021/ja108894a","","","0.71073","MoKα","","0.0513","0.047","","","0.1339","0.136","","","","","","1.059","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105623","27.139","0.005","8.776","0.0018","23.632","0.005","90","","123.81","0.03","90","","4677","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 Cl N3 O -","- C25 H34 Cl N3 O -","- C200 H272 Cl8 N24 O8 -","8","2","","Dennis X. Hu; Michael D. Clift; Kiel E. Lazarski; Regan J. Thomson","Enantioselective Total Synthesis and Confirmation of the Absolute and Relative Stereochemistry of Streptorubin B","Journal of the American Chemical Society","2011","133","","1799","1804","10.1021/ja109165f","","","0.71073","MoKα","","0.0807","0.057","","","0.1345","0.1529","","","","","","1.029","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105624","11.7897","0.0012","14.5693","0.0014","19.106","0.002","90","","95.564","0.006","90","","3266.3","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34.38 H41.75 Cl2.75 N O6 -","- C34.375 H41.75 Cl2.75 N O6 -","- C137.5 H167 Cl11 N4 O24 -","4","2","","Micheal C. Wilson; Sang-Jip Nam; Tobias A. M. Gulder; Christopher A. Kauffman; Paul R. Jensen; William Fenical; Bradley S. Moore","Structure and Biosynthesis of the Marine Streptomycete Ansamycin Ansalactam A and Its Distinctive Branched Chain Polyketide Extender Unit","Journal of the American Chemical Society","2011","133","","1971","1977","10.1021/ja109226s","","","1.54178","CuKα","","0.0506","0.0488","","","0.1375","0.1394","","","","","","1.046","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105625","6.7044","0.0016","10.749","0.003","26.506","0.007","90","","90","","90","","1910.2","0.9","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl2 N O Pt -","- C17 H25 Cl2 N O Pt -","- C68 H100 Cl8 N4 O4 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0396","","","","0.1053","","","","","","1.029","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105626","17.233","0.007","7.822","0.003","7.535","0.003","90","","90","","90","","1015.7","0.7","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0602","","","","0.1609","","","","","","1.027","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105627","18.932","0.004","6.7865","0.0013","20.175","0.004","90","","114.731","0.0009","90","","2354.4","0.8","123.1","","123.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H29 Cl2 N O2 Pt -","- C24 H29 Cl2 N O2 Pt -","- C96 H116 Cl8 N4 O8 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0495","","","","0.1314","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105628","6.025","0.002","9.345","0.004","32.971","0.013","90","","90","","90","","1856.4","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","","Andrew DeAngelis; Valerie W. Shurtleff; Olga Dmitrenko; Joseph M. Fox","Rhodium(II)-Catalyzed Enantioselective C-H Functionalization of Indoles","Journal of the American Chemical Society","2011","133","","1650","1653","10.1021/ja1093309","","","0.71073","MoKα","","0.1163","0.0512","","","0.0677","0.0807","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105629","5.5327","0.0003","7.7224","0.0004","5.4112","0.0003","90","","90","","90","","231.2","0.02","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Technitium Oxide","","","- Ca O3 Tc -","- Ca O3 Tc -","- Ca4 O12 Tc4 -","4","0.5","","Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork","Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3","Journal of the American Chemical Society","2011","133","","1654","1657","10.1021/ja109431t","powder diffraction","neutron","1.538","neutron","","","","","","","","","9.87","3.8","","","","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105630","11.288","0.002","14.489","0.003","20.884","0.004","90","","90","","90","","3415.6","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C152 H168 N8 O32 S8 -","8","1","","Mu Lin; Feng Li; Lei Jiao; Zhi-Xiang Yu","Rh(I)-Catalyzed Formal [5 + 1]/[2 + 2 + 1] Cycloaddition of 1-Yne-vinylcyclopropanes and Two CO Units: One-Step Construction of Multifunctional Angular Tricyclic 5/5/6 Compounds","Journal of the American Chemical Society","2011","133","","1690","1693","10.1021/ja110039h","","","0.71073","MoKα","","0.0559","0.0517","","","0.1131","0.1157","","","","","","1.193","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105631","9.889","0.005","11.32","0.005","12.066","0.005","99.648","0.005","105.586","0.005","100.964","0.005","1242.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O5 S2 -","- C27 H24 N2 O5 S2 -","- C54 H48 N4 O10 S4 -","2","1","","Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang","Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide","Journal of the American Chemical Society","2011","133","","1694","1697","10.1021/ja1101695","","","0.71069","MoKα","","0.11","0.0748","","","0.1947","0.2208","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105632","10.0399","0.0006","10.9768","0.0005","13.4457","0.0006","109.146","0.004","92.134","0.004","110.32","0.005","1293.47","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2.94 H3.29 N0.24 O0.71 S0.24 -","- C2.94118 H3.29412 N0.235294 O0.705882 S0.235294 -","- C50 H56 N4 O12 S4 -","17","8.5","","Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang","Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide","Journal of the American Chemical Society","2011","133","","1694","1697","10.1021/ja1101695","","","","","","0.108","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105633","6.4325","0.0003","15.2429","0.0007","13.15","0.0004","90","","101.416","0.003","90","","1263.85","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 I N O2 -","- C13 H14 I N O2 -","- C52 H56 I4 N4 O8 -","4","1","","Stephen G. Newman; Mark Lautens","Palladium-Catalyzed Carboiodination of Alkenes: Carbon-Carbon Bond Formation with Retention of Reactive Functionality","Journal of the American Chemical Society","2011","133","","1778","1780","10.1021/ja110377q","","","0.71073","MoKα","","0.0682","0.0411","","","0.0947","0.1084","","","","","","1.052","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105634","13.5975","0.0002","21.6883","0.0003","15.1332","0.0003","90","","97.0785","0.0014","90","","4428.87","0.13","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H27 B Cu F20 N5 O -","- C47 H27 B Cu F20 N5 O -","- C188 H108 B4 Cu4 F80 N20 O4 -","4","1","","Ryan L. Peterson; Richard A. Himes; Hiroaki Kotani; Tomoyoshi Suenobu; Li Tian; Maxime A. Siegler; Edward I. Solomon; Shunichi Fukuzumi; Kenneth D. Karlin","Cupric Superoxo-Mediated Intermolecular C-H Activation Chemistry","Journal of the American Chemical Society","2011","133","","1702","1705","10.1021/ja110466q","","","0.71073","MoKα","","0.0572","0.0368","","","0.0917","0.0964","","","","","","0.985","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105635","11.3656","0.0008","13.4721","0.0009","7.4844","0.0005","90","","94.562","0.001","90","","1142.37","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Appaso Mahadev Jadhav; Sabyasachi Bhunia; Hsin-Yi Liao; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of Azacyclic Compounds through a Redox/[2 + 2 + 1] Cycloaddition Cascade of Nitroalkyne Substrates","Journal of the American Chemical Society","2011","133","","1769","1771","10.1021/ja110514s","","","0.71073","MoKα","","0.0552","0.0462","","","0.1222","0.1275","","","","","","1.156","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105636","9.0389","0.0014","10.0864","0.0015","13.588","0.002","72.58","0.004","88.295","0.004","63.795","0.004","1052.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Appaso Mahadev Jadhav; Sabyasachi Bhunia; Hsin-Yi Liao; Rai-Shung Liu","Gold-Catalyzed Stereoselective Synthesis of Azacyclic Compounds through a Redox/[2 + 2 + 1] Cycloaddition Cascade of Nitroalkyne Substrates","Journal of the American Chemical Society","2011","133","","1769","1771","10.1021/ja110514s","","","0.71073","MoKα","","0.0474","0.0367","","","0.0909","0.0983","","","","","","1.018","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105637","25.205","0.008","25.205","0.008","5.987","0.003","90","","90","","120","","3294","2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H14.67 F N O3.33 -","- C17 H14 F N O3.33333 -","- C153 H126 F9 N9 O30 -","9","1","","Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon","A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction","Journal of the American Chemical Society","2011","133","","1710","1713","10.1021/ja110534g","","","0.71073","MoKα","","0.0625","0.0498","","","0.0937","0.0986","","","","","","1.072","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105638","10.2156","0.0003","6.7637","0.0002","11.1574","0.0003","90","","90.889","0.0014","90","","770.83","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C34 H32 Br2 N2 O6 -","2","1","","Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon","A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction","Journal of the American Chemical Society","2011","133","","1710","1713","10.1021/ja110534g","","","0.71073","MoKα","","0.0322","0.0288","","0.0699","0.0654","0.0699","","","","","","0.9127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105639","8.3201","0.0004","15.3584","0.0007","20.827","0.0009","90","","90","","90","","2661.3","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl2 O4 -","- C31 H26 Cl2 O4 -","- C124 H104 Cl8 O16 -","4","1","","Xiaoyu Han; Youqing Wang; Fangrui Zhong; Yixin Lu","Enantioselective [3 + 2] Cycloaddition of Allenes to Acrylates Catalyzed by Dipeptide-Derived Phosphines: Facile Creation of Functionalized Cyclopentenes Containing Quaternary Stereogenic Centers","Journal of the American Chemical Society","2011","133","","1726","1729","10.1021/ja1106282","","","0.71073","MoKα","","0.1294","0.077","","","0.1388","0.1576","","","","","","1.031","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105640","7.8769","0.0003","8.1717","0.0003","11.1984","0.0005","70.325","0.001","84.844","0.001","78.875","0.001","665.74","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H12 O7 -","- C15 H12 O7 -","- C30 H24 O14 -","2","1","","Tian Qin; Richard P. Johnson; John A. Porco","Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products","Journal of the American Chemical Society","2011","133","","1714","1717","10.1021/ja110698n","","","1.54178","CuKα","","0.0313","0.0299","","","0.0827","0.084","","","","","","0.911","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105641","13.2285","0.0009","7.9453","0.0005","14.2764","0.0009","90","","104.118","0.003","90","","1455.19","0.16","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","1","","Tian Qin; Richard P. Johnson; John A. Porco","Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products","Journal of the American Chemical Society","2011","133","","1714","1717","10.1021/ja110698n","","","0.71073","MoKα","","0.0542","0.043","","","0.1163","0.1249","","","","","","1.053","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105642","8.8482","0.0003","7.7305","0.0002","21.7938","0.0006","90","","98.759","0.001","90","","1473.33","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","1","","Tian Qin; Richard P. Johnson; John A. Porco","Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products","Journal of the American Chemical Society","2011","133","","1714","1717","10.1021/ja110698n","","","1.54178","CuKα","","0.0359","0.032","","","0.0948","0.1085","","","","","","1.077","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105643","19.816","0.003","8.6","0.0013","32.975","0.005","90","","94.488","0.003","90","","5602.3","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 Cl2 N6 O12 S2 -","- C58 H56 Cl2 N6 O12 S2 -","- C232 H224 Cl8 N24 O48 S8 -","4","0.5","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71069","MoKα","","0.1252","0.0656","","","0.1462","0.1747","","","","","","1.012","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105644","19.425","0.004","19.425","0.004","33.628","0.004","90","","90","","120","","10989","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H90 N6 O12 S6 -","- C72 H90 N6 O12 S6 -","- C432 H540 N36 O72 S36 -","6","0.333333","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71069","MoKα","","0.1482","0.0547","","","0.106","0.1349","","","","","","0.935","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105645","15.026","0.0016","11.9842","0.0013","15.5208","0.0016","90","","111.297","0.002","90","","2604","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O5 S2 -","- C27 H28 N2 O5 S2 -","- C108 H112 N8 O20 S8 -","4","1","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71073","MoKα","","0.0548","0.0411","","","0.1022","0.1096","","","","","","1.014","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105646","10.258","0.0017","10.876","0.0018","12.051","0.002","112.395","0.002","97.263","0.002","111.677","0.002","1097.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C54 H44 N4 O8 -","2","1","","Fushun Liang; Shaoxia Lin; Ying Wei","Aza-Oxy-Carbanion Relay via Non-Brook Rearrangement: Efficient Synthesis of Furo[3,2-c]pyridinones","Journal of the American Chemical Society","2011","133","","1781","1783","10.1021/ja110870f","","","0.71069","MoKα","","0.1246","0.0553","","","0.125","0.1532","","","","","","1.003","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105647","13.619","0.002","11.3289","0.0016","15.146","0.003","90","","101.77","0.015","90","","2287.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","1","","Fushun Liang; Shaoxia Lin; Ying Wei","Aza-Oxy-Carbanion Relay via Non-Brook Rearrangement: Efficient Synthesis of Furo[3,2-c]pyridinones","Journal of the American Chemical Society","2011","133","","1781","1783","10.1021/ja110870f","","","0.71073","MoKα","","0.1826","0.0374","","","0.0389","0.0467","","","","","","0.591","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105648","5.5373","0.0001","7.7118","0.0002","5.4004","0.0001","90","","90","","90","","230.611","0.008","4","","4","","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Technitium Oxide","","","- Ca O3 Tc -","- Ca O3 Tc -","- Ca4 O12 Tc4 -","4","0.5","","Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork","Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3","Journal of the American Chemical Society","2011","133","","1654","1657","10.1021/ja109431t","powder diffraction","neutron","1.885","neutron","","","","","","","","","12.48","4.8","","","","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105649","53.188","0.003","53.188","0.003","17.813","0.002","90","","90","","120","","43641","6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C38 H40 N2 O16 Zn2 -","- C28 H16 N2 O13 Zn2 -","- C1008 H576 N72 O468 Zn72 -","36","1","","Sebastian Henke; Roland A. Fischer","Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains","Journal of the American Chemical Society","2011","133","","2064","2067","10.1021/ja109317e","","","1.54178","CuKα","","0.1145","0.0903","","","0.2642","0.2778","","","","","","0.987","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105650","14.0138","0.0002","10.9075","0.0002","21.7501","0.0004","90","","91.524","0.002","90","","3323.45","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O12 Zn2 -","- C26 H10 N2 O9 Zn2 -","- C104 H40 N8 O36 Zn8 -","4","1","","Sebastian Henke; Roland A. Fischer","Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains","Journal of the American Chemical Society","2011","133","","2064","2067","10.1021/ja109317e","","","0.71073","MoKα","","0.0708","0.0456","","","0.1331","0.1394","","","","","","1.012","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105651","10.7453","0.0009","13.0951","0.001","16.1287","0.0014","86.901","0.002","82.155","0.002","67.312","0.003","2074.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.25 H62 B N2 O2 Os P2 -","- C41.25 H62 B N2 O2 Os P2 -","- C82.5 H124 B2 N4 O4 Os2 P4 -","2","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0404","0.0346","","","0.0862","0.0899","","","","","","1.033","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105652","10.1135","0.0011","17.243","0.002","19.003","0.002","80.393","0.002","88.068","0.002","89.455","0.002","3265.5","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H53 B N2 O Os P2 -","- C31 H53 B N2 O Os P2 -","- C124 H212 B4 N8 O4 Os4 P8 -","4","4","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0946","0.058","","","0.1096","0.13","","","","","","0.938","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105653","10.2107","0.0015","23.871","0.003","29.595","0.005","100.687","0.004","90.333","0.003","101.922","0.005","6928.2","1.8","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C33 H57 B N2 O Os P2 -","- C33 H57 B N2 O Os P2 -","- C264 H456 B8 N16 O8 Os8 P16 -","8","8","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0667","0.0535","","","0.1191","0.1281","","","","","","1.013","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105654","11.1936","0.0016","11.8609","0.0017","16.576","0.002","106.953","0.003","97.875","0.003","97.96","0.003","2047.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H63 B N2 O Os P2 -","- C41 H63 B N2 O Os P2 -","- C82 H126 B2 N4 O2 Os2 P4 -","2","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.71073","MoKα","","0.0661","0.0488","","","0.0881","0.0955","","","","","","1.043","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105655","10.5199","0.0001","14.3046","0.0004","15.6759","0.0004","107.045","0.002","104.592","0.0019","104.807","0.002","2039.57","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H63 B N2 O2 Os P2 -","- C42 H63 B N2 O2 Os P2 -","- C84 H126 B2 N4 O4 Os2 P4 -","2","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate","From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates","Journal of the American Chemical Society","2011","133","","2250","2263","10.1021/ja109691v","","","0.7107","MoKα","","0.042","0.0277","","","0.0475","0.0491","","","","","","0.908","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105656","8.903","0.002","10.455","0.003","10.571","0.003","90","","92.511","0.004","90","","983","0.5","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 I2 O3 -","- C18 H24 I2 O3 -","- C36 H48 I4 O6 -","2","1","","Xuebin Liao; Levi M. Stanley; John F. Hartwig","Enantioselective Total Syntheses of (-)-Taiwaniaquinone H and (-)-Taiwaniaquinol B by Iridium-Catalyzed Borylation and Palladium-Catalyzed Asymmetric α-Arylation","Journal of the American Chemical Society","2011","133","","2088","2091","10.1021/ja110215b","","","0.71073","MoKα","","0.0309","0.0252","","","0.0583","0.06","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105657","12.7079","0.0004","10.4589","0.0004","33.0698","0.0012","90","","94.433","0.001","90","","4382.2","0.3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 B Cl3 F4 N2 P2 Pd -","- C45 H38 B Cl3 F4 N2 P2 Pd -","- C180 H152 B4 Cl12 F16 N8 P8 Pd4 -","4","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0672","0.0487","","","0.1272","0.1398","","","","","","1.009","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105658","12.7733","0.0006","10.5578","0.0005","33.0376","0.0015","90","","94.442","0.001","90","","4442","0.4","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H39 B Cl2 F4 N2 P2 Pt -","- C44.5 H38 B Cl2 F4 N2 P2 Pt -","- C178 H152 B4 Cl8 F16 N8 P8 Pt4 -","4","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0638","0.0445","","","0.1243","0.135","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105659","10.4079","0.0003","12.9817","0.0004","16.6774","0.0005","102.085","0.001","104.508","0.001","106.14","0.001","1998.96","0.11","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H38 B Cl F4 N2 P2 Pt -","- C44 H38 B Cl F4 N2 P2 Pt -","- C88 H76 B2 Cl2 F8 N4 P4 Pt2 -","2","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0268","0.0244","","","0.0619","0.0629","","","","","","1.057","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105660","20.6422","0.0007","12.4704","0.0004","24.1515","0.0008","90","","106.313","0.001","90","","5966.7","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Cl2 N6 O1.5 P2 Pt2 -","- C64 H54 Cl2 N6 O1.5 P2 Pt2 -","- C256 H216 Cl8 N24 O6 P8 Pt8 -","4","1","","Tim Kösterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole","Journal of the American Chemical Society","2011","133","","2112","2115","10.1021/ja110634h","","","0.71073","MoKα","","0.0544","0.0348","","","0.0867","0.0974","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105661","12.8792","0.0013","13.1696","0.0013","16.6164","0.0016","86.739","0.002","88.301","0.002","74.946","0.002","2716.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34.19 H32.47 N3 O0.547 -","- C34.192 H32.48 N3 O0.548 -","- C136.768 H129.92 N12 O2.192 -","4","2","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0727","0.0505","","","0.1216","0.1312","","","","","","1.024","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105662","7.9263","0.0009","9.9913","0.0011","13.9349","0.0015","100.827","0.002","99.715","0.002","112.307","0.002","967.18","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.5 H23 Cl N2 -","- C25.5 H23 Cl N2 -","- C51 H46 Cl2 N4 -","2","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0594","0.0522","","","0.1331","0.138","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105663","10.6479","0.0011","10.6812","0.0011","20.973","0.002","90","","99.118","0.002","90","","2355.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N2 O -","- C29 H32 N2 O -","- C116 H128 N8 O4 -","4","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0724","0.0593","","","0.1478","0.1568","","","","","","1.007","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105664","13.0601","0.0009","19.0376","0.0013","8.2253","0.0005","90","","90","","90","","2045.1","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H25 N3 -","- C28 H25 N3 -","- C112 H100 N12 -","4","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0461","0.0441","","","0.1072","0.1087","","","","","","1.046","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105665","10.91","0.007","11.252","0.007","16.024","0.01","90","","93.368","0.01","90","","1964","2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","(THF)V(tpaMes)","","","- C46 H53 N4 O V -","- C46 H53 N4 O V -","- C92 H106 N8 O2 V2 -","2","1","","Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang","A Structurally Characterized Nitrous Oxide Complex of Vanadium","Journal of the American Chemical Society","2011","133","","2108","2111","10.1021/ja110798w","","","0.71073","MoKα","","0.0518","0.0378","","","0.0789","0.0851","","","","","","1.034","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105666","10.4388","0.0007","10.4441","0.0007","19.1656","0.0014","83.921","0.004","79.928","0.004","62.462","0.003","1823.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(tpaMes)V(N2O)","","","- C42 H45 N6 O V -","- C42 H45 N6 O V -","- C84 H90 N12 O2 V2 -","2","1","","Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang","A Structurally Characterized Nitrous Oxide Complex of Vanadium","Journal of the American Chemical Society","2011","133","","2108","2111","10.1021/ja110798w","","","0.71073","MoKα","","0.0627","0.0473","","","0.129","0.1378","","","","","","1.085","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105667","27.8","0.3","26.2","0.3","21.3","0.2","90","","123.69","0.17","90","","12908","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H78 Cl10 N4 O11.5 P -","- C61.5 H78 Cl10 N4 O11.5 P -","- C492 H624 Cl80 N32 O92 P8 -","8","1","","Pascal Dimitrov Raytchev; Alexandre Martinez; Heinz Gornitzka; Jean-Pierre Dutasta","Encaging the Verkade's Superbases: Thermodynamic and Kinetic Consequences","Journal of the American Chemical Society","2011","133","","2157","2159","10.1021/ja1110333","","","0.71073","MoKα","","0.315","0.1305","","","0.3094","0.4145","","","","","","1.035","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105668","9.1929","0.0005","9.2239","0.0004","17.1717","0.0009","96.05","0.003","104.776","0.003","101.491","0.003","1360.82","0.12","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40 B F4 N P Rh -","- C28 H40 B F4 N P Rh -","- C56 H80 B2 F8 N2 P2 Rh2 -","2","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0504","0.0346","","","0.0684","0.074","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105669","12.0879","0.0005","11.8478","0.0005","45.928","0.002","90","","98.067","0.002","90","","6512.5","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H87 B2 F8 N7 P2 Rh2 -","- C62 H87 B2 F8 N7 P2 Rh2 -","- C248 H348 B8 F32 N28 P8 Rh8 -","4","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0535","0.0391","","","0.0811","0.0867","","","","","","1.079","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105670","9.3718","0.0012","15.838","0.002","14.0215","0.0018","90","","98.362","0.009","90","","2059.1","0.5","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H55 F6 N2 P Rh Sb -","- C43 H55 F6 N2 P Rh Sb -","- C86 H110 F12 N4 P2 Rh2 Sb2 -","2","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.1094","0.0573","","","0.0911","0.1061","","","","","","0.993","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105671","12.1655","0.0006","14.1694","0.0007","19.677","0.0011","90","","92.195","0.003","90","","3389.4","0.3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 B F4 N3 O P Rh -","- C32 H52 B F4 N3 O P Rh -","- C128 H208 B4 F16 N12 O4 P4 Rh4 -","4","1","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.056","0.036","","","0.0769","0.0856","","","","","","1.019","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105672","15.243","0.003","16.582","0.004","19.241","0.004","90","","90","","90","","4863.3","1.8","193","","193","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H72 Cl2 N2 P2 Rh2 -","- C52 H72 Cl2 N2 P2 Rh2 -","- C208 H288 Cl8 N8 P8 Rh8 -","4","0.5","","Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig","Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes","Journal of the American Chemical Society","2011","133","","2772","2782","10.1021/ja1057949","","","0.71073","MoKα","","0.0616","0.0357","","","0.0824","0.0911","","","","","","1.02","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105673","20.1775","0.0006","20.1775","0.0006","21.9148","0.0007","90","","90","","120","","7726.9","0.4","149","2","150","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C81.5 H219.5 Ge14 Li3 O7 Si25 -","- C81.48 H219.57 Ge14 Li3 O6.99 Si25 -","- C162.96 H439.14 Ge28 Li6 O13.98 Si50 -","2","0.166667","","Christian Schenk; Andreas Kracke; Karin Fink; Adam Kubas; Wim Klopper; Marco Neumaier; Hansgeorg Schnöckel; Andreas Schnepf","The Formal Combination of Three Singlet Biradicaloid Entities to a Singlet Hexaradicaloid Metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 Cluster","Journal of the American Chemical Society","2011","133","","2518","2524","10.1021/ja107446z","","","0.8","synchrotron","","0.0471","0.0427","","","0.0953","0.0975","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105674","11.57","0.0006","17.0742","0.0008","17.153","0.0009","90","","104.13","0.001","90","","3286","0.3","125","2","125","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 F3 N Ni O3 P2 S Si2 -","- C23 H52 F3 N Ni O3 P2 S Si2 -","- C92 H208 F12 N4 Ni4 O12 P8 S4 Si8 -","4","1","","Benjamin C. Fullmer; Hongjun Fan; Maren Pink; John C. Huffman; Nikolay P. Tsvetkov; Kenneth G. Caulton","Three-Coordinate NiII: Tracing the Origin of an Unusual, Facile Si-C(sp3) Bond Cleavage in [(tBu2PCH2SiMe2)2N]Ni+","Journal of the American Chemical Society","2011","133","","2571","2582","10.1021/ja108426f","","","0.71073","MoKα","","0.0297","0.023","","","0.0551","0.057","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105675","16.1099","0.0017","11.1663","0.0012","16.6537","0.0017","90","","109.302","0.002","90","","2827.4","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 B F4 N Ni P2 Si -","- C20 H48 B F4 N Ni P2 Si -","- C80 H192 B4 F16 N4 Ni4 P8 Si4 -","4","1","","Benjamin C. Fullmer; Hongjun Fan; Maren Pink; John C. Huffman; Nikolay P. Tsvetkov; Kenneth G. Caulton","Three-Coordinate NiII: Tracing the Origin of an Unusual, Facile Si-C(sp3) Bond Cleavage in [(tBu2PCH2SiMe2)2N]Ni+","Journal of the American Chemical Society","2011","133","","2571","2582","10.1021/ja108426f","","","0.71073","MoKα","","0.1183","0.0703","","","0.1766","0.1964","","","","","","1.056","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4105676","21.071","0.004","18.061","0.003","10.7728","0.0014","90","","90","","90","","4099.7","1.2","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","","Pablo Wessig; Annika Matthes","Preparation of Strained Axially Chiral (1,5)Naphthalenophanes by Photo-dehydro-Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","2642","2650","10.1021/ja109118m","","","0.71073","MoKα","","0.0339","0.0288","","","0.0757","0.0775","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105677","13.2149","0.0015","20.0393","0.0015","24.432","0.003","90","","95.696","0.002","90","","6438.1","1.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H15 F30 N Sc3 -","- C102 H15 F30 N Sc3 -","- C408 H60 F120 N4 Sc12 -","4","1","","Natalia B. Shustova; Dmitry V. Peryshkov; Igor V. Kuvychko; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; David T. Heaps; Bridget S. Confait; Thomas Heine; J. Paige Phillips; Steven Stevenson; Lothar Dunsch; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2-16) and Their Radical Anions","Journal of the American Chemical Society","2011","133","","2672","2690","10.1021/ja109462j","","","0.41328","synchrotron","","0.1098","0.0674","","","0.1474","0.1648","","","","","","1.103","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105678","13.2899","0.0014","38.424","0.005","13.5862","0.0016","90","","115.789","0.003","90","","6246.8","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C93 F36 N S2 Sc3 -","- C93 F36 N S2 Sc3 -","- C372 F144 N4 S8 Sc12 -","4","1","","Natalia B. Shustova; Dmitry V. Peryshkov; Igor V. Kuvychko; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; David T. Heaps; Bridget S. Confait; Thomas Heine; J. Paige Phillips; Steven Stevenson; Lothar Dunsch; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2-16) and Their Radical Anions","Journal of the American Chemical Society","2011","133","","2672","2690","10.1021/ja109462j","","","0.41328","synchrotron","","0.1138","0.0511","","","0.099","0.1188","","","","","","1.008","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105679","4.0711","0.0001","4.0711","0.0001","18.9094","0.0006","90","","90","","90","","313.402","0.015","293","2","293","2","","","","","","","synthesis as described","5","I 4/m m m","-I 4 2","139","Compound X","","","- Ba4 Co2 Cu3.89 O4 S4 -","- Ba4 Co2 Cu3.888 O4 S4 -","- Ba4 Co2 Cu3.888 O4 S4 -","1","0.03125","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","","x-ray","0.71073","MoKα","","0.0178","0.0168","","","0.0382","0.0385","","","","","","1.163","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105680","5.6337","0.00026","5.6337","0.00026","17.6466","0.0004","90","","90","","90","","560.08","0.04","","","","","","","","","","","","1","P 1","P 1","1","","","","- Co -","- Co -","- Co4 -","4","4","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105681","3.61538","0.00035","3.61538","","3.61538","","90","","90","","90","","47.257","0.005","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105682","4.649","0.005","3.4382","0.0034","5.187","0.006","90","","98.64","0.08","90","","81.97","0.15","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105683","3.01596","0.00034","3.01596","","3.01596","","90","","90","","90","","27.433","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105684","5.6441","0.00026","5.6441","0.00026","17.7137","0.0004","90","","90","","90","","564.29","0.04","","","","","","","","","","","","1","P 1","P 1","1","","","","- Co -","- Co -","- Co4 -","4","4","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105685","4.6809","","3.4176","","5.122","","90","","99.784","","90","","80.747","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105686","3.01691","0.00029","3.01691","","3.01691","","90","","90","","90","","27.459","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105687","9.998","0.008","6.545","0.006","13.109","0.01","90","","109.81","0.04","90","","807","1.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O4 -","- C18 H15 Cl O4 -","- C36 H30 Cl2 O8 -","2","1","","Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith","Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations","Journal of the American Chemical Society","2011","133","","2714","2720","10.1021/ja109975c","","","0.71073","MoKα","","0.1205","0.0948","","","0.2298","0.2609","","","","","","1.057","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105688","6.3142","0.0011","19.786","0.003","26.184","0.004","90","","90","","90","","3271.2","0.9","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C152 H120 Br8 O32 -","8","2","","Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith","Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations","Journal of the American Chemical Society","2011","133","","2714","2720","10.1021/ja109975c","","","0.71073","MoKα","","0.0503","0.0377","","","0.0647","0.0696","","","","","","0.943","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105689","14.158","0.01","21.005","0.014","18.336","0.012","90","","90","","90","","5453","6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27.4 H26.8 Cl0.8 N4 O7 -","- C27.4 H26.8 Cl0.8 N4 O7 -","- C219.2 H214.4 Cl6.4 N32 O56 -","8","1","","Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang","Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum","Journal of the American Chemical Society","2011","133","","2729","2741","10.1021/ja1101085","","","0.71073","MoKα","","0.0765","0.0491","","","0.1414","0.1666","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105690","21.974","0.003","21.974","0.003","10.8958","0.0017","90","","90","","120","","4556.3","1.1","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- C26.08 H27.16 N5 O4.36 -","- C26.08 H27.16 N5 O4.36 -","- C156.48 H162.96 N30 O26.16 -","6","1","","Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang","Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum","Journal of the American Chemical Society","2011","133","","2729","2741","10.1021/ja1101085","","","0.71073","MoKα","","0.0942","0.0703","","","0.1593","0.1713","","","","","","1.081","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105691","7.2644","0.0016","12.669","0.003","18.735","0.004","90","","100.899","0.003","90","","1693.1","0.7","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Keiji Mori; Shosaku Sueoka; Takahiko Akiyama","Expeditious Construction of a Carbobicyclic Skeleton via sp3-C-H Functionalization: Hydride Shift from an Aliphatic Tertiary Position in an Internal Redox Process","Journal of the American Chemical Society","2011","133","","2424","2426","10.1021/ja110520p","","","0.71073","MoKα","","0.0734","0.0603","","","0.1753","0.1849","","","","","","1.094","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105692","15.822","0.003","64.769","0.013","6.4071","0.0013","90","","90","","90","","6566","2","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C288 H352 N32 O48 -","16","1","","Keiji Mori; Shosaku Sueoka; Takahiko Akiyama","Expeditious Construction of a Carbobicyclic Skeleton via sp3-C-H Functionalization: Hydride Shift from an Aliphatic Tertiary Position in an Internal Redox Process","Journal of the American Chemical Society","2011","133","","2424","2426","10.1021/ja110520p","","","0.71073","MoKα","","0.0626","0.0485","","","0.1202","0.128","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105693","10.9836","0.0002","21.6821","0.0004","21.2588","0.0004","90","","100.223","0.001","90","","4982.36","0.16","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sc2C2@C80Ad-G","","","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C389.2 H67.2 Cl5.6 S8.8 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Takeshi Akasaka; Shigeru Nagase","Sc2C2@C80 Rather than Sc2@C82: Templated Formation of Unexpected C2v(5)-C80 and Temperature-Dependent Dynamic Motion of Internal Sc2C2 Cluster","Journal of the American Chemical Society","2011","133","","2382","2385","10.1021/ja1107723","","","0.71073","MoKα","","0.0726","0.0548","","","0.1329","0.1451","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105694","9.976","0.003","37.485","0.013","10.185","0.004","90","","95.426","0.004","90","","3792","2","103.15","","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C145 H24 S6 -","- C145 H24 S6 -","- C290 H48 S12 -","2","0.5","","Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami","Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes","Journal of the American Chemical Society","2011","133","","2402","2405","10.1021/ja111213k","","","0.7107","MoKα","","0.1291","0.0846","","","0.1865","0.2144","","","","","","1.097","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105695","16.285","0.01","19.242","0.011","17.514","0.011","90","","111.145","0.006","90","","5119","5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H29 N O4 S -","- C90 H29 N O4 S -","- C360 H116 N4 O16 S4 -","4","1","","Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami","Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes","Journal of the American Chemical Society","2011","133","","2402","2405","10.1021/ja111213k","","","0.7107","MoKα","","0.3182","0.2606","","","0.5721","0.5962","","","","","","1.857","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105696","26.1251","0.0014","15.6936","0.0009","32.851","0.002","90","","109.296","0.001","90","","12712.2","1.3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H121 Br14 Cd10 N9 O19 Pt13 -","- C65 H121 Br14 Cd10 N9 O19 Pt13 -","- C260 H484 Br56 Cd40 N36 O76 Pt52 -","4","0.5","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra","Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts","Journal of the American Chemical Society","2011","133","","2406","2409","10.1021/ja111235v","","","0.71073","MoKα","","0.0627","0.0345","","","0.0687","0.0803","","","","","","1.043","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105697","17.2308","0.0019","28.34","0.003","32.657","0.004","90","","97.478","0.002","90","","15811","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H84 Br14 Cd10 O25 P2 Pt19 -","- C79 H84 Br14 Cd10 O25 P2 Pt19 -","- C316 H336 Br56 Cd40 O100 P8 Pt76 -","4","1","","Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra","Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts","Journal of the American Chemical Society","2011","133","","2406","2409","10.1021/ja111235v","","","0.71073","MoKα","","0.1825","0.0803","","","0.2003","0.2557","","","","","","1.015","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105698","3.983536","0.000016","3.983536","","17.64582","0.0001","90","","90","","90","","280.014","0.0019","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Co Cu1.89 O2 S2 Sr2 -","- Co Cu1.8902 O2 S2 Sr2 -","- Co2 Cu3.7804 O4 S4 Sr4 -","2","0.0625","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.67","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105699","3.99129","0.000016","3.99129","","17.71555","0.00009","90","","90","","90","","282.216","0.0018","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Co Cu1.98 O2 S2 Sr2 -","- Co Cu1.9806 O2 S2 Sr2 -","- Co2 Cu3.9612 O4 S4 Sr4 -","2","0.0625","","Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke","High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution","Journal of the American Chemical Society","2011","133","","2691","2705","10.1021/ja109553u","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105700","10.9469","0.001","9.9127","0.0009","14.182","0.0014","90","","106.996","0.004","90","","1471.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 Ni P2 S2 -","- C30 H34 Cl2 Ni P2 S2 -","- C60 H68 Cl4 Ni2 P4 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0283","0.0239","","","0.0667","0.0688","","","","","","1.051","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105701","26.9346","0.0006","13.136","0.0003","25.7007","0.0008","90","","117.767","0.001","90","","8046.1","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl6 Ni O8 P2 S2 -","- C32 H36 Cl6 Ni O8 P2 S2 -","- C256 H288 Cl48 Ni8 O64 P16 S16 -","8","1","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","1.54178","CuKα","","0.0673","0.0576","","","0.1682","0.1752","","","","","","1.08","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105702","13.106","0.0002","13.9986","0.0002","14.1567","0.0002","97.644","0.001","112.096","0.001","93.661","0.001","2366.71","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H58 B2 F48 Ni P2 S2 -","- C94 H58 B2 F48 Ni P2 S2 -","- C94 H58 B2 F48 Ni P2 S2 -","1","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0708","0.042","","","0.0953","0.1036","","","","","","0.961","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105703","13.2709","0.0006","14.7678","0.0009","23.4392","0.0013","89.618","0.004","74.335","0.003","65.263","0.003","3987.4","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H38 B2 Cl4 F8 Ni P2 S2 -","- C32 H38 B2 Cl4 F8 Ni P2 S2 -","- C128 H152 B8 Cl16 F32 Ni4 P8 S8 -","4","2","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.1379","0.0744","","","0.2034","0.2393","","","","","","0.988","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105704","10.363","0.008","14.232","0.012","11.796","0.01","90","","94.676","0.008","90","","1734","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 F12 Ni P4 S2 -","- C30 H34 F12 Ni P4 S2 -","- C60 H68 F24 Ni2 P8 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.038","0.0296","","","0.0758","0.0791","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105705","10.2077","0.0003","13.9734","0.0004","11.4991","0.0003","90","","94.53","0.001","90","","1635.07","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 Ni O8 P2 S2 -","- C30 H34 Cl2 Ni O8 P2 S2 -","- C60 H68 Cl4 Ni2 O16 P4 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0418","0.0364","","","0.1037","0.1066","","","","","","1.079","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105706","15.378","0.002","9.702","0.0012","15.2472","0.0016","90","","105.465","0.01","90","","2192.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cl2 Ni P2 S2 -","- C52 H50 Cl2 Ni P2 S2 -","- C104 H100 Cl4 Ni2 P4 S4 -","2","0.5","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","1.54178","CuKα","","0.1466","0.0701","","","0.1357","0.1582","","","","","","0.82","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105707","11.5619","0.001","19.1526","0.0015","24.083","0.002","90","","93.397","0.007","90","","5323.6","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Cl5 F6 Ni P3 S2 -","- C54 H54 Cl5 F6 Ni P3 S2 -","- C216 H216 Cl20 F24 Ni4 P12 S8 -","4","1","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","1.54178","CuKα","","0.1907","0.0879","","","0.2146","0.2447","","","","","","0.919","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105708","15.7062","0.0002","21.7494","0.0003","15.8611","0.0002","90","","99.135","0.001","90","","5349.44","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H50 F6 Ni O6 P2 S4 -","- C54 H50 F6 Ni O6 P2 S4 -","- C216 H200 F24 Ni4 O24 P8 S16 -","4","1","","Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin","Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands","Journal of the American Chemical Society","2011","133","","3023","3033","10.1021/ja109624m","","","0.71073","MoKα","","0.0739","0.0563","","","0.1487","0.1605","","","","","","1.048","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105709","8.9481","0.0007","6.2416","0.0005","16.8398","0.0014","90","","94.779","0.002","90","","937.24","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C42 H44 Cl2 N2 O4 -","2","1","","Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan","Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions","Journal of the American Chemical Society","2011","133","","2828","2831","10.1021/ja1098353","","","0.71073","MoKα","","0.0513","0.0477","","","0.1205","0.1289","","","","","","1.078","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105710","10.1917","0.0004","17.7338","0.0007","20.2101","0.0008","90","","90","","90","","3652.7","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 Cl N5 O3 -","- C38 H46 Cl N5 O3 -","- C152 H184 Cl4 N20 O12 -","4","1","","Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan","Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions","Journal of the American Chemical Society","2011","133","","2828","2831","10.1021/ja1098353","","","0.71073","MoKα","","0.0598","0.0523","","","0.1356","0.1418","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105711","29.831","0.003","33.225","0.004","34.49","0.004","70.125","0.01","80.486","0.009","63.721","0.01","28821","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C498 H532 Cl34 N70 O87 -","- C498 H532 Cl34 N70 O87 -","- C996 H1064 Cl68 N140 O174 -","2","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","1.54178","CuKα","","0.3196","0.2117","","","0.5216","0.5839","","","","","","1.139","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105712","21.925","0.004","27.301","0.005","28.332","0.006","91.736","0.006","106.69","0.005","97.015","0.005","16085","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C254 H244 Cl2 N38 O66 -","- C254 H244 Cl2 N38 O66 -","- C508 H488 Cl4 N76 O132 -","2","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","0.849","synchrotron","","0.1989","0.1861","","","0.4393","0.4513","","","","","","1.121","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105713","47.509","0.01","29.741","0.006","33.604","0.007","90","","134.96","0.03","90","","33598","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C310 H132 N46 O56 -","- C310 H132 N46 O56 -","- C1240 H528 N184 O224 -","4","1","","Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc","Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers","Journal of the American Chemical Society","2011","133","","3165","3172","10.1021/ja110677a","","","0.85","synchrotron","","0.2189","0.1694","","","0.3886","0.416","","","","","","1.023","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105714","16.361","0.0005","16.8722","0.0006","19.1403","0.0006","101.272","0.001","92.969","0.001","94.35","0.002","5154.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 Cl2 I6.02 N12 O0.98 W2 -","- C41 H34 Cl2 I6.02005 N12 O0.98095 W2 -","- C164 H136 Cl8 I24.0802 N48 O3.9238 W8 -","4","2","","Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry","Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups","Journal of the American Chemical Society","2011","133","","2856","2859","10.1021/ja1114248","","","0.71073","MoKα","","0.025","0.0224","","","0.0554","0.0565","","","","","","1.04","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105715","14.0857","0.0006","15.7157","0.0006","16.9784","0.0007","71.752","0.002","69.914","0.002","77.51","0.002","3327.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H65 B F3 N13 O5 S W2 -","- C71 H65 B F3 N13 O5 S W2 -","- C142 H130 B2 F6 N26 O10 S2 W4 -","2","1","","Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry","Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups","Journal of the American Chemical Society","2011","133","","2856","2859","10.1021/ja1114248","","","0.71073","MoKα","","0.0515","0.0495","","","0.1318","0.1337","","","","","","1.077","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105716","21.6413","0.001","12.797","0.0006","17.8278","0.0008","90","","120.848","0.002","90","","4238.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 F6 N12 O6 S2 W2 -","- C42 H32 F6 N12 O6 S2 W2 -","- C168 H128 F24 N48 O24 S8 W8 -","4","0.5","","Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry","Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups","Journal of the American Chemical Society","2011","133","","2856","2859","10.1021/ja1114248","","","0.71073","MoKα","","0.0163","0.0134","","","0.0318","0.033","","","","","","1.09","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105717","14.02","0.002","11.5941","0.0012","17.583","0.003","90","","108.598","0.019","90","","2708.9","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 N2 P Si3 -","- C21 H41 N2 P Si3 -","- C84 H164 N8 P4 Si12 -","4","1","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.1526","0.1033","","","0.2631","0.2751","","","","","","1.446","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105718","19.3556","0.0007","14.2399","0.0004","19.9777","0.0006","90","","90","","90","","5506.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H41 N2 P Si3 -","- C21 H41 N2 P Si3 -","- C168 H328 N16 P8 Si24 -","8","1","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.127","0.0571","","","0.0889","0.1032","","","","","","0.906","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105719","23.841","0.003","10.1993","0.0012","19.369","0.002","90","","108.346","0.012","90","","4470.4","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 N4 P2 Si2 -","- C44 H60 N4 P2 Si2 -","- C176 H240 N16 P8 Si8 -","4","0.5","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.0843","0.0618","","","0.1393","0.1489","","","","","","1.034","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105720","15.5534","0.0016","17.954","0.0018","20.918","0.002","90","","98.286","0.005","90","","5780.3","1","190","1","190","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H31.2 Cl3 Cu2 F24 N5 O9.6 -","- C44 H24 Cu2 F24 N4 O8 -","- C176 H96 Cu8 F96 N16 O32 -","4","1","","Tamara D. Hamilton; Dejan-Krešimir Bučar; Jonas Baltrusaitis; Douglas R. Flanagan; Yingjian Li; Suman Ghorai; Alexei V. Tivanski; Leonard R. MacGillivray","Thixotropic Hydrogel Derived from a Product of an Organic Solid-State Synthesis: Properties and Densities of Metal-Organic Nanoparticles","Journal of the American Chemical Society","2011","133","","3365","3371","10.1021/ja106095w","","","0.71069","MoKα","","0.1247","0.092","","","0.2511","0.2763","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105721","10.3014","0.0011","10.6935","0.0008","10.837","0.0012","90","","116.249","0.004","90","","1070.68","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl9 Hg6 In2 P3 -","- Cl9 Hg6 In2 P3 -","- Cl18 Hg12 In4 P6 -","2","1","","Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang","Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials","Journal of the American Chemical Society","2011","133","","3410","3418","10.1021/ja107921a","","","0.71073","MoKα","","0.0624","0.0592","","","0.1161","0.1185","","","","","","1.011","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4105722","11.3324","0.0004","11.3324","0.0004","42.768","0.004","90","","90","","120","","4756.6","0.5","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- As4 Bi3 Cl13 Hg8 -","- As4 Bi3 Cl13 Hg8 -","- As24 Bi18 Cl78 Hg48 -","6","1","","Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang","Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials","Journal of the American Chemical Society","2011","133","","3410","3418","10.1021/ja107921a","","","0.71073","MoKα","","0.0544","0.0499","","","0.1141","0.1179","","","","","","1.029","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4105723","13.2372","0.0008","13.2997","0.0009","14.6782","0.0009","91.803","0.005","112.666","0.005","105.47","0.005","2271.8","0.3","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -","- C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -","- C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -","1","0.5","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.07","0.055","","","0.1479","0.156","","","","","","1.038","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105724","18.723","0.003","18.723","0.003","5.7808","0.0012","90","","90","","90","","2026.5","0.6","133","2","133","2","","","","","","","","4","I -4","I -4","82","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.0383","0.0365","","","0.0905","0.0916","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105725","13.3948","0.001","13.8821","0.001","14.6735","0.0012","90.078","0.006","115.446","0.006","108.25","0.006","2310.3","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H76 Cl18 Mn2 N12 Ni3 O14 -","- C74 H76 Cl18 Mn2 N12 Ni3 O14 -","- C74 H76 Cl18 Mn2 N12 Ni3 O14 -","1","0.5","","Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer","A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters","Journal of the American Chemical Society","2011","133","","3433","3443","10.1021/ja108740c","","","0.71073","MoKα","","0.1116","0.0905","","","0.2571","0.2672","","","","","","1.122","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105726","10.509","0.0005","19.7053","0.0007","20.8672","0.0009","90","","100.23","0.0015","90","","4252.5","0.3","173.1","","173.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Fe Mo N4 P4 -","- C44 H54 Fe Mo N4 P4 -","- C176 H216 Fe4 Mo4 N16 P16 -","4","1","","Hiromasa Tanaka; Akira Sasada; Tomohisa Kouno; Masahiro Yuki; Yoshihiro Miyake; Haruyuki Nakanishi; Yoshiaki Nishibayashi; Kazunari Yoshizawa","Molybdenum-Catalyzed Transformation of Molecular Dinitrogen into Silylamine: Experimental and DFT Study on the Remarkable Role of Ferrocenyldiphosphine Ligands","Journal of the American Chemical Society","2011","133","","3498","3506","10.1021/ja109181n","","","0.71075","MoKα","","","0.0508","","","","0.133","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105727","10.6333","0.0003","11.1091","0.0005","19.329","0.0011","101.818","0.006","98.509","0.002","98.229","0.003","2174.5","0.18","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H49 B F10 N P -","- C46.5 H49 B F10 N P -","- C93 H98 B2 F20 N2 P2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0606","0.052","","","0.1348","0.1431","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105728","19.5277","0.0008","6.5056","0.0003","18.7809","0.0006","90","","112.021","0.002","90","","2211.85","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C96 H72 B4 F40 N4 -","4","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0532","0.045","","","0.114","0.1214","","","","","","1.048","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105729","19.0148","0.0012","6.3803","0.0004","18.4629","0.001","90","","109.883","0.004","90","","2106.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 B F10 N -","- C23 H16 B F10 N -","- C92 H64 B4 F40 N4 -","4","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0635","0.0593","","","0.1368","0.1396","","","","","","1.071","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105730","8.4497","0.0001","9.7617","0.0001","14.2402","0.0002","71.184","0.001","84.869","0.001","88.108","0.001","1107.34","0.02","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 B F10 N -","- C24 H16 B F10 N -","- C48 H32 B2 F20 N2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0519","0.0477","","","0.1288","0.1379","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105731","7.9357","0.0004","11.1685","0.0006","14.6427","0.0009","94.818","0.002","91.78","0.003","103.119","0.004","1257.76","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 B Cl2 F10 N -","- C24 H16 B Cl2 F10 N -","- C48 H32 B2 Cl4 F20 N2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0765","0.0673","","","0.1833","0.1941","","","","","","1.03","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105732","16.518","0.0008","15.2872","0.0006","25.872","0.0011","90","","103.496","0.004","90","","6352.6","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H32 B F10 N -","- C34.5 H32 B F10 N -","- C276 H256 B8 F80 N8 -","8","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0696","0.0516","","","0.1259","0.14","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105733","9.4976","0.0005","12.4411","0.0008","12.8064","0.0008","88.834","0.004","78.248","0.003","74.602","0.005","1427.4","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H20 B Cl2 F10 N -","- C24.5 H20 B Cl2 F10 N -","- C49 H40 B2 Cl4 F20 N2 -","2","1","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.0909","0.0792","","","0.2429","0.2608","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105734","20.4261","0.0007","10.3146","0.0003","31.7887","0.0011","90","","103.898","0.002","90","","6501.4","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B F10 N O2 -","- C35 H32 B F10 N O2 -","- C280 H256 B8 F80 N8 O16 -","8","2","","Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker","Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination","Journal of the American Chemical Society","2011","133","","3480","3491","10.1021/ja1092369","","","1.54178","CuKα","","0.1585","0.0795","","","0.2058","0.2648","","","","","","1.014","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105735","19.6639","0.0015","8.7482","0.0007","17.194","0.0013","90","","108.577","0.0009","90","","2803.7","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 S4 Si2 U -","- C24 H40 S4 Si2 U -","- C96 H160 S16 Si8 U4 -","4","0.5","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0181","0.0162","","","0.0369","0.0376","","","","","","1.094","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105736","14.9569","0.0009","19.1828","0.0011","24.774","0.0015","90","","95.2545","0.0007","90","","7078.2","0.7","148","2","148","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H108 N4 O4 Si4 U2 -","- C66 H108 N4 O4 Si4 U2 -","- C264 H432 N16 O16 Si16 U8 -","4","0.5","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0201","0.0175","","","0.0434","0.0444","","","","","","1.044","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105737","10.8031","0.0006","12.6268","0.0007","14.8665","0.0008","92.118","0.0006","91.9633","0.0006","112.882","0.0005","1864.45","0.18","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H63 N3 Si2 U -","- C36 H63 N3 Si2 U -","- C72 H126 N6 Si4 U2 -","2","1","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0162","0.0158","","","0.0399","0.0401","","","","","","1.04","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105738","10.0856","0.0005","17.4636","0.0009","19.6548","0.001","90","","104.761","0.0007","90","","3347.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 N2 Si2 U -","- C34 H58 N2 Si2 U -","- C136 H232 N8 Si8 U4 -","4","1","","Nathan A. Siladke; Joseph W. Ziller; William J. Evans","Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U","Journal of the American Chemical Society","2011","133","","3507","3516","10.1021/ja109491k","","","0.71073","MoKα","","0.0739","0.0326","","","0.0636","0.0744","","","","","","1.013","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105739","9.3905","0.0012","9.3905","0.0012","36.349","0.005","90","","90","","120","","2775.9","0.6","103","2","103","2","","","","","","","","5","P 31 2 1","P 31 2""","152","GWA281","toste22","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C114 H120 N12 O24 S6 -","6","1","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","0.71073","MoKα","","0.0289","0.0266","","","0.0677","0.0692","","","","","","1.046","","","","has coordinates","278043","2022-09-21","13:11:05",""
"4105740","6.4038","0.0002","19.3388","0.0005","22.3333","0.0005","90","","90","","90","","2765.8","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GWA303","toste23","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","1.54178","CuKα","","0.0782","0.0765","","","0.1738","0.1748","","","","","","1.089","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105741","13.6511","0.0006","13.6511","0.0006","26.5755","0.0012","90","","90","","90","","4952.4","0.4","143","2","143","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C50 H52 Au2 Cl4 P2 -","- C50 H50 Au2 Cl4.004 P2 -","- C200 H200 Au8 Cl16.016 P8 -","4","0.5","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","0.71073","MoKα","","0.0162","0.0152","","","0.0413","0.0419","","","","","","1.03","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105742","12.415","0.004","14.797","0.005","17.908","0.006","113.658","0.005","97.462","0.006","105.884","0.005","2788.9","1.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H58 B Co F6 Fe N13 O2 P -","- C48 H58 B Co F6 Fe N13 O2 P -","- C96 H116 B2 Co2 F12 Fe2 N26 O4 P2 -","2","1","","Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio","Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli","Journal of the American Chemical Society","2011","133","","3592","3600","10.1021/ja109721w","","","0.71073","MoKα","","0.0872","0.0691","","","0.2065","0.2238","","","","","","1.067","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105743","49.4505","0.0012","38.6559","0.001","29.9596","0.0009","90","","113.884","0.0008","90","","52365","2","298","2","298","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C220 H296 B4 Co4 F24 Fe4 N52 O4 P4 -","- C220 H296 B4 Co4 F24 Fe4 N52 O4 P4 -","- C1760 H2368 B32 Co32 F192 Fe32 N416 O32 P32 -","8","1","","Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio","Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli","Journal of the American Chemical Society","2011","133","","3592","3600","10.1021/ja109721w","","","1","synchrotron","","0.2235","0.1817","","","0.5003","0.5346","","","","","","1.754","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105744","14.255","0.006","12.02","0.005","25.401","0.011","90","","105.657","0.009","90","","4191","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 B Co F6 Fe N13 O P -","- C39 H42 B Co F6 Fe N13 O P -","- C156 H168 B4 Co4 F24 Fe4 N52 O4 P4 -","4","1","","Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio","Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli","Journal of the American Chemical Society","2011","133","","3592","3600","10.1021/ja109721w","","","0.71073","MoKα","","0.0847","0.0646","","","0.1295","0.1374","","","","","","1.132","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105745","12.04","0.0012","22.7606","0.0018","13.3116","0.0013","90","","110.433","0.002","90","","3418.4","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 F3 I P2 Pd -","- C38 H30 F3 I P2 Pd -","- C152 H120 F12 I4 P8 Pd4 -","4","1","","Masato Ohashi; Tadashi Kambara; Tsubasa Hatanaka; Hiroki Saijo; Ryohei Doi; Sensuke Ogoshi","Palladium-Catalyzed Coupling Reactions of Tetrafluoroethylene with Arylzinc Compounds","Journal of the American Chemical Society","2011","133","","3256","3259","10.1021/ja109911p","","","0.71075","MoKα","","0.1727","0.0746","","","0.1186","0.1516","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105746","18.0191","0.0009","9.5138","0.0005","20.8353","0.0011","90","","91.319","0.0018","90","","3570.9","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H60 F8 P4 Pd2 -","- C83 H60 F8 P4 Pd2 -","- C166 H120 F16 P8 Pd4 -","2","0.5","","Masato Ohashi; Tadashi Kambara; Tsubasa Hatanaka; Hiroki Saijo; Ryohei Doi; Sensuke Ogoshi","Palladium-Catalyzed Coupling Reactions of Tetrafluoroethylene with Arylzinc Compounds","Journal of the American Chemical Society","2011","133","","3256","3259","10.1021/ja109911p","","","0.71075","MoKα","","0.0437","0.036","","","0.0788","0.0832","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105747","9.772","0.0012","10.0074","0.0012","24.521","0.003","90","","90","","90","","2398","0.5","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N O -","- C31 H27 N O -","- C124 H108 N4 O4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0452","0.0391","","","0.1029","0.1057","","","","","","1.053","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105748","9.7598","0.0006","10.5782","0.0006","24.5736","0.0014","90","","90","","90","","2537","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O Si -","- C28 H31 N O Si -","- C112 H124 N4 O4 Si4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0682","0.0597","","","0.1678","0.1731","","","","","","1.025","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105749","11.0019","0.0007","17.2179","0.0011","10.9544","0.0007","90","","91.746","0.001","90","","2074.1","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O -","- C24 H29 N O -","- C96 H116 N4 O4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0673","0.0551","","","0.1606","0.1666","","","","","","1.099","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105750","19.4713","0.0012","21.8175","0.0013","38.491","0.002","77.593","0.001","87.137","0.001","64.968","0.001","14454.2","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C285.5 H373 Cl27 N16 O36.5 -","- C285.5 H373 Cl27 N16 O36.5 -","- C571 H746 Cl54 N32 O73 -","2","1","","Junling Sun; James L. Bennett; Thomas J. Emge; Ralf Warmuth","Thermodynamically Controlled Synthesis of a Chiral Tetra-cavitand Nanocapsule and Mechanism of Enantiomerization.","Journal of the American Chemical Society","2011","133","","3268","3271","10.1021/ja110475w","","","0.71073","MoKα","","0.1671","0.124","","","0.3483","0.3855","","","","","","1.435","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105751","10.6295","0.0008","14.1773","0.0011","14.8586","0.0012","96.988","0.0015","106.604","0.0015","105.952","0.0016","2013.9","0.3","223.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H44 O2 P2 Pd2 -","- C45 H44 O2 P2 Pd2 -","- C90 H88 O4 P4 Pd4 -","2","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0485","","","","0.0959","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105752","13.218","0.002","10.4537","0.0016","17.73","0.003","90","","110.013","0.003","90","","2301.9","0.6","223.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 P2 Pd2 -","- C18 H40 P2 Pd2 -","- C72 H160 P8 Pd8 -","4","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0472","","","","0.0894","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105753","13.942","0.003","13.634","0.003","14.518","0.003","90","","116.264","0.005","90","","2474.8","0.9","223.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 P2 Pd2 -","- C20 H44 P2 Pd2 -","- C80 H176 P8 Pd8 -","4","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0664","","","","0.1076","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105754","19.5182","0.0011","12.1763","0.0007","24.6715","0.0012","90","","107.442","0.004","90","","5593.8","0.5","223","","223","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C60 H82 N4 Pd2 -","- C60 H82 N4 Pd2 -","- C240 H328 N16 Pd8 -","4","0.5","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.051","","","","0.095","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105755","14.9251","0.002","12.7222","0.0016","25.002","0.003","90","","90.531","0.006","90","","4747.2","1","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 N4 Pd -","- C54 H72 N4 Pd -","- C216 H288 N16 Pd4 -","4","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0855","","","","0.1581","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105756","9.659","0.002","11.105","0.003","10.452","0.003","90","","106.529","0.008","90","","1074.8","0.5","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H32 O2 P2 Pd2 -","- C15 H32 O2 P2 Pd2 -","- C30 H64 O4 P4 Pd4 -","2","1","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.0239","","","","0.0438","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105757","5.8343","0.0015","7.5006","0.0019","23.903","0.006","90","","94.66","0.004","90","","1042.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 I O2 -","- C12 H7 I O2 -","- C48 H28 I4 O8 -","4","1","","Yuta Fujiwara; Victoriano Domingo; Ian B. Seiple; Ryan Gianatassio; Matthew Del Bel; Phil S. Baran","Practical C-H Functionalization of Quinones with Boronic Acids","Journal of the American Chemical Society","2011","133","","3292","3295","10.1021/ja111152z","","","0.71073","MoKα","","0.028","0.0231","","","0.052","0.0549","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105758","5.4994","0.0001","11.142","0.0002","21.8188","0.0004","90","","90","","90","","1336.93","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0347","0.0329","","","0.0827","0.084","","","","","","1.072","","","","has coordinates","273003","2022-02-17","12:14:56",""
"4105759","5.766","0.0001","13.9219","0.0002","18.1101","0.0002","90","","90","","90","","1453.76","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C60 H56 Br4 N4 O8 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0211","0.0208","","","0.0524","0.0525","","","","","","1.094","","","","has coordinates","273003","2022-02-17","12:14:56",""
"4105760","5.5837","0.0002","11.977","0.0004","26.7431","0.0009","90","","90","","90","","1788.47","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0382","0.0347","","","0.0862","0.088","","","","","","1.049","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105761","10.9975","0.0008","12.0887","0.0009","21.6801","0.0014","94.415","0.004","94.031","0.004","116.913","0.004","2544.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H43 O2 P Pd -","- C24 H43 O2 P Pd -","- C96 H172 O8 P4 Pd4 -","4","2","","Yichen Tan; John F. Hartwig","Assessment of the Intermediacy of Arylpalladium Carboxylate Complexes in the Direct Arylation of Benzene: Evidence for C-H Bond Cleavage by ""Ligandless"" Species","Journal of the American Chemical Society","2011","133","","3308","3311","10.1021/ja1113936","","","0.71073","MoKα","","0.0726","0.0564","","","0.1571","0.1778","","","","","","1.019","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105762","9.4246","0.0011","17.954","0.002","11.732","0.0014","90","","110.801","0.002","90","","1855.8","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 B Cl2 F4 N2 -","- C41 H43 B Cl2 F4 N2 -","- C82 H86 B2 Cl4 F8 N4 -","2","1","","Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes","Journal of the American Chemical Society","2011","133","","3332","3335","10.1021/ja200311n","","","0.71073","MoKα","","0.0614","0.0554","","","0.1518","0.1581","","","","","","1.044","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105763","8.6853","0.0005","11.3946","0.0006","20.2971","0.0011","74.297","0.003","79.005","0.003","89.123","0.003","1896.84","0.18","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H22 N O P -","- C22 H22 N O P -","- C88 H88 N4 O4 P4 -","4","4","","Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes","Journal of the American Chemical Society","2011","133","","3332","3335","10.1021/ja200311n","","","0.71073","MoKα","","0.0966","0.059","","","0.1352","0.156","","","","","","1","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105764","10.6174","0.001","10.85","0.001","23.503","0.002","84.54","0.002","83.122","0.002","75.734","0.002","2599.1","0.4","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H81 Fe3 N6 O Si3 -","- C49 H81 Fe3 N6 O Si3 -","- C98 H162 Fe6 N12 O2 Si6 -","2","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.0532","0.0378","","","0.0852","0.093","","","","","","1.027","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105765","26.559","0.003","11.6673","0.0011","23.123","0.002","90","","108.849","0.002","90","","6780.9","1.2","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H111 Fe3 N8 O Si3 -","- C62 H111 Fe3 N8 O Si3 -","- C248 H444 Fe12 N32 O4 Si12 -","4","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.0777","0.0492","","","0.095","0.1047","","","","","","1.037","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105766","10.057","0.002","11.562","0.003","20.327","0.004","82.832","0.004","89.866","0.004","89.039","0.004","2344.8","0.9","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H69 Fe3 N7 Si3 -","- C43 H69 Fe3 N7 Si3 -","- C86 H138 Fe6 N14 Si6 -","2","1","","Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley","Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-","Journal of the American Chemical Society","2011","133","","3336","3338","10.1021/ja2003445","","","0.71073","MoKα","","0.2186","0.1196","","","0.275","0.3115","","","","","","1.074","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105767","24.281","0.003","14.6355","0.0014","31.244","0.004","90","","101.259","0.009","90","","10889","2","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C119 H82 Cl6 Cu4 I4 N12 -","- C119 H82 Cl6 Cu4 I4 N12 -","- C476 H328 Cl24 Cu16 I16 N48 -","4","1","","Zhiwei Liu; Munzarin F. Qayyum; Chao Wu; Matthew T. Whited; Peter I. Djurovich; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Mark E. Thompson","A Codeposition Route to CuI-Pyridine Coordination Complexes for Organic Light-Emitting Diodes","Journal of the American Chemical Society","2011","133","","3700","3703","10.1021/ja1065653","","","0.71073","MoKα","","0.1008","0.0538","","","0.1133","0.1254","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105768","8.074","0.0003","16.133","0.0007","18.627","0.0008","90","","100.591","0.0019","90","","2384.98","0.17","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CoIIITren","CoIIITren","","- C13 H28 Co F12 N5 P2 S -","- C13 H28 Co F12 N5 P2 S -","- C52 H112 Co4 F48 N20 P8 S4 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1544","0.0507","","","0.0747","0.0891","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105769","13.489","0.0007","8.7463","0.0012","15.1258","0.0013","90","0.004","90","0.005","90","0.003","1784.5","0.3","130","2","130","2","","","","","","","","8","P n m a","-P 2ac 2n","62","CDS011","CDS011","","- C11 H26 Co F6 N4 O P S -","- C11 H26 Co F6 N4 O P S -","- C44 H104 Co4 F24 N16 O4 P4 S4 -","4","0.5","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1203","0.0749","","","0.1521","0.1731","","","","","","1.055","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105770","7.576","0.0006","14.5673","0.0013","18.378","0.0018","90","","90","","90","","2028.2","0.3","130","2","130","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","CDS002","CDS002","","- C13 H29 Co F6 N5 O P S -","- C13 H29 Co F6 N5 O P S -","- C52 H116 Co4 F24 N20 O4 P4 S4 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1","0.0565","","","0.11","0.1281","","","","","","1.073","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105771","8.579","0.0008","8.356","0.002","34.839","0.008","90","","90.581","0.01","90","","2497.3","0.9","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CDS023","CDS023","","- C15 H30 Co F6 N5 O8 S2 -","- C15 H30 Co F6 N5 O8 S2 -","- C60 H120 Co4 F24 N20 O32 S8 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.0746","0.051","","","0.1166","0.1263","","","","","","1.04","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105772","8.4743","0.0002","9.9717","0.0003","19.2114","0.0006","92.846","0.002","94.772","0.002","114.413","0.0012","1466.82","0.07","130","2","130","2","","","","","","","","7","P 1","P 1","1","CDS021","CDS021","","- C36 H65 Co2 F12 N13 O14 S4 -","- C36 H65 Co2 F12 N13 O14 S4 -","- C36 H65 Co2 F12 N13 O14 S4 -","1","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.0622","0.0556","","","0.1422","0.148","","","","","","1.092","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105773","5.7947","0.0002","8.2165","0.0003","26.4454","0.0011","90","","90","","90","","1259.12","0.08","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Magnus Rueping; Uxue Uria; Ming-Yuan Lin; Iuliana Atodiresei","Chiral Organic Contact Ion Pairs in Metal-Free Catalytic Asymmetric Allylic Substitutions","Journal of the American Chemical Society","2011","133","","3732","3735","10.1021/ja110213t","","","1.54178","CuKα","","0.025","0.025","","0.03","","0.03","","","3.137","","","3.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105774","11.106","0.005","11.266","0.005","11.436","0.005","98.365","0.002","111.26","0.004","105.751","0.005","1235.1","1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 B Br2 O3 Si -","- C22 H29 B Br2 O3 Si -","- C44 H58 B2 Br4 O6 Si2 -","2","1","","Kazuta Ito; Hiroto Tamashima; Nobuharu Iwasawa; Hiroyuki Kusama","Photochemically Promoted Transition Metal-Free Cross-Coupling of Acylsilanes with Organoboronic Esters","Journal of the American Chemical Society","2011","133","","3716","3719","10.1021/ja1102597","","","0.71073","MoKα","","0.0712","0.0499","","","0.1085","0.1255","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105775","12.285","0.0008","16.5578","0.001","16.7837","0.0008","74.767","0.005","71.089","0.005","70.386","0.006","2996.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O -","- C17 H24 O -","- C136 H192 O8 -","8","4","","Guobi Chai; Shangze Wu; Chunling Fu; Shengming Ma","A Straightforward Synthesis of Cyclobutenones via a Tandem Michael Addition/Cyclization Reaction of 2,3-Allenoates with Organozincs","Journal of the American Chemical Society","2011","133","","3740","3743","10.1021/ja1108694","","","1.54184","CuKα","","0.1135","0.0717","","","0.2006","0.2317","","","","","","1.038","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105776","9.0113","0.0012","9.5129","0.0012","16.236","0.002","90","","96.7","0.004","90","","1382.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Guobi Chai; Shangze Wu; Chunling Fu; Shengming Ma","A Straightforward Synthesis of Cyclobutenones via a Tandem Michael Addition/Cyclization Reaction of 2,3-Allenoates with Organozincs","Journal of the American Chemical Society","2011","133","","3740","3743","10.1021/ja1108694","","","0.71073","MoKα","","0.0432","0.0386","","","0.106","0.1129","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105777","21.784","0.003","10.1799","0.0013","8.4941","0.001","90","","90","","90","","1883.6","0.4","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H31 P3 S W -","- C13 H31 P3 S W -","- C52 H124 P12 S4 W4 -","4","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0391","0.0264","","","0.043","0.0456","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105778","16.282","0.003","32.499","0.006","9.152","0.0016","90","","90","","90","","4842.8","1.5","149","2","149","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H42 P4 S W -","- C16 H42 P4 S W -","- C128 H336 P32 S8 W8 -","8","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0386","0.0276","","","0.0535","0.0568","","","","","","1.042","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105779","14.6865","0.0016","19.5","0.002","18.62","0.002","90","","105.02","0.002","90","","5150.3","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 P4 S W -","- C20 H42 P4 S W -","- C160 H336 P32 S8 W8 -","8","2","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0514","0.042","","","0.0994","0.105","","","","","","1.046","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105780","18.507","0.002","15.22","0.002","19.118","0.003","90","","98.724","0.002","90","","5322.8","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 P4 S W -","- C20 H44 P4 S W -","- C160 H352 P32 S8 W8 -","8","2","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0786","0.0514","","","0.1065","0.1177","","","","","","1.038","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105781","9.6343","0.0011","12.1821","0.0014","13.596","0.0015","85.772","0.002","72.371","0.002","68.587","0.001","1414.6","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 P4 S W -","- C20 H48 P4 S W -","- C40 H96 P8 S2 W2 -","2","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.029","0.0239","","","0.0493","0.0508","","","","","","1.013","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105782","8.997","0.0013","10.0679","0.0015","15.782","0.002","80.769","0.002","73.792","0.002","84.386","0.002","1352.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 P4 S W -","- C20 H44 P4 S W -","- C40 H88 P8 S2 W2 -","2","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0688","0.0434","","","0.0685","0.075","","","","","","1.022","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105783","10.2637","0.0011","21.784","0.002","16.7801","0.0018","90","","94.326","0.002","90","","3741.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H58 P6 S W2 -","- C29 H58 P6 S W2 -","- C116 H232 P24 S4 W8 -","4","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0371","0.0253","","","0.0517","0.0556","","","","","","1.017","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105784","17.396","0.004","25.696","0.006","22.829","0.004","90","","130.765","0.011","90","","7729","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H134 Ag16 N11 O60 P8 V8 -","- C84 H128 Ag16 N11 O60 P8 V8 -","- C168 H256 Ag32 N22 O120 P16 V16 -","2","0.5","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I)-Ethynide Clusters Constructed with Phosphonate-Functionized Polyoxovanadates","Journal of the American Chemical Society","2011","133","","3760","3763","10.1021/ja1112035","","","0.71073","MoKα","","0.128","0.0675","","","0.1773","0.2292","","","","","","1.032","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105785","23.597","0.007","23.139","0.007","33.025","0.01","90","","99.636","0.006","90","","17778","9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C233 H284 Ag43 N11 O97 P12 V18 -","- C233 H280 Ag43 N11 O97 P12 V18 -","- C466 H560 Ag86 N22 O194 P24 V36 -","2","1","","Yun-Peng Xie; Thomas C. W. Mak","Silver(I)-Ethynide Clusters Constructed with Phosphonate-Functionized Polyoxovanadates","Journal of the American Chemical Society","2011","133","","3760","3763","10.1021/ja1112035","","","0.71073","MoKα","","0.0791","0.0506","","","0.1235","0.1434","","","","","","1.067","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105786","8.3414","0.0002","16.7694","0.0004","21.3895","0.0005","94.67","0.001","91.852","0.001","103.881","0.001","2890.79","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 N2 O8 Rh2 -","- C29 H36 N2 O8 Rh2 -","- C116 H144 N8 O32 Rh8 -","4","2","","Kwak, Jaesung; Kim, Min; Chang, Sukbok","Rh(NHC)-Catalyzed Direct and Selective Arylation of Quinolines at the 8-Position","Journal of the American Chemical Society","2011","133","11","3780","3783","10.1021/ja111670s","","","0.71073","MoKα","","0.0787","0.0511","","","0.1189","0.1376","","","","","","1.079","","","","has coordinates","219277","2020-10-21","18:00:00",""
"4105787","11.6254","0.0012","12.3668","0.0012","12.9283","0.0013","102.254","0.001","110.145","0.001","110.139","0.001","1518.5","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H98 N6 O2 Si8 Y2 -","- C39 H88 N6 O2 Si8 Y2 -","- C39 H88 N6 O2 Si8 Y2 -","1","0.5","","Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans","Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System","Journal of the American Chemical Society","2011","133","","3784","3787","10.1021/ja1116827","","","0.71073","MoKα","","0.0584","0.0423","","","0.1077","0.1169","","","","","","1.031","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105788","12.6045","0.0009","20.6981","0.0015","10.7025","0.0008","90","","100.839","0.001","90","","2742.4","0.3","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H90 N6 O2 Si8 Y2 -","- C32 H88 N6 O2 Si8 Y2 -","- C64 H176 N12 O4 Si16 Y4 -","2","0.5","","Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans","Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System","Journal of the American Chemical Society","2011","133","","3784","3787","10.1021/ja1116827","","","0.71073","MoKα","","0.065","0.0432","","","0.1026","0.114","","","","","","1.033","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105789","10.865","0.004","23.466","0.005","11.602","0.002","90","","112.64","0.02","90","","2730.1","1.3","161","2","161","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Gd2 N6 O2 Si8 -","- C32 H88 Gd2 N6 O2 Si8 -","- C64 H176 Gd4 N12 O4 Si16 -","2","0.5","","Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans","Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System","Journal of the American Chemical Society","2011","133","","3784","3787","10.1021/ja1116827","","","0.71073","MoKα","","0.0439","0.0301","","","0.0631","0.0672","","","","","","1.095","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105790","6.9951","0.0012","6.9951","0.0012","8.028","0.003","90","","90","","90","","392.82","0.18","273","2","273","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cr H12 N3 O8 -","- Cr H14 N3 O8 -","- Cr2 H28 N6 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0247","0.0247","","","0.0621","0.0621","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105791","9.8893","0.0012","9.889","","8.0326","0.001","90","","90","","90","","785.55","0.14","203","2","203","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cr H12 N3 O8 -","- Cr H12 N3 O8 -","- Cr4 H48 N12 O32 -","4","0.5","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0295","0.0291","","","0.0712","0.0714","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105792","10","2","10.0176","0.001","8.0201","0.001","90.013","0.001","90.008","0.003","90.004","0.002","803","16","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- Cr H12 N3 O8 -","- Cr N3 O8 -","- Cr4 N12 O32 -","4","4","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0601","0.0567","","","0.1569","0.1598","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105793","6.9862","0.0003","6.9862","0.0003","7.9044","0.0006","90","","90","","90","","385.79","0.04","193","2","193","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr H8 N2 O8 Rb -","- Cr H8 N1.62 O8 Rb1.38 -","- Cr2 H16 N3.24 O16 Rb2.76 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0242","0.0242","","","0.064","0.0641","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105794","7.0386","0.0003","7.0386","0.0003","8.1748","0.0008","90","","90","","90","","405","0.05","173","2","173","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr Cs H8 N2 O8 -","- Cr Cs H8 N2 O8 -","- Cr2 Cs2 H16 N4 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0122","0.0122","","","0.0308","0.0308","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105795","21.394","0.003","17.58","0.002","13.7909","0.0018","90","","90","","90","","5186.8","1.2","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H4 Cl8 La2 N4 O -","- C90 H4 Cl8 La2 N4 O -","- C360 H16 Cl32 La8 N16 O4 -","4","0.5","","Michio Yamada; Mari Minowa; Satoru Sato; Zdenek Slanina; Takahiro Tsuchiya; Yutaka Maeda; Shigeru Nagase; Takeshi Akasaka","Regioselective Cycloaddition of La2@Ih-C80 with Tetracyanoethylene Oxide: Formation of an Endohedral Dimetallofullerene Adduct Featuring Enhanced Electron-Accepting Character","Journal of the American Chemical Society","2011","133","","3796","3799","10.1021/ja2000243","","x-ray","0.71073","MoKα","","0.1366","0.1182","","","0.2318","0.2409","","","","","","1.144","","","","has coordinates,has disorder","213925","2020-10-21","18:00:00",""
"4105796","14.8232","0.0008","25.049","0.001","15.2283","0.0007","90","","96.895","0.004","90","","5613.5","0.5","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H46 Cl6 N2 O6 Pt2 -","- C64 H46 Cl6 N2 O6 Pt2 -","- C256 H184 Cl24 N8 O24 Pt8 -","4","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71073","MoKα","","0.1156","0.0548","","","0.1293","0.1394","","","","","","0.801","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105797","12.765","0.0008","14.6415","0.0008","17.5626","0.001","92.314","0.003","99.295","0.004","98.755","0.003","3194.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H45 Cl11 N2 O6 Pt2 -","- C65 H45 Cl11 N2 O6 Pt2 -","- C130 H90 Cl22 N4 O12 Pt4 -","2","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71069","MoKα","","0.0771","0.0434","","","0.1077","0.1391","","","","","","1.143","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105798","9.5249","0.0002","20.4922","0.0004","26.6299","0.0005","90","","90","","90","","5197.79","0.18","140","2","140","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Cl3 N O2 Pt S -","- C27 H24 Cl3 N O2 Pt S -","- C216 H192 Cl24 N8 O16 Pt8 S8 -","8","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71073","MoKα","","0.0556","0.035","","","0.069","0.0787","","","","","","1.078","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105799","9.9777","0.001","20.156","0.002","11.0109","0.0011","90","","92.311","0.002","90","","2212.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N6 O3 -","- C10 H12 N6 O3 -","- C80 H96 N48 O24 -","8","2","","Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W.","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2011","133","11","4149","4150","10.1021/ja2002023","","","0.71073","MoKα","","0.0817","0.0446","","","0.0975","0.1163","","","","","","1.013","","","","has coordinates","210884","2020-10-21","18:00:00",""
"4105800","7.0578","0.0002","7.96","0.0002","12.8899","0.0003","72.221","0.001","77.298","0.001","65.396","0.001","623.35","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N6 O3 -","- C10 H13 Cl N6 O3 -","- C20 H26 Cl2 N12 O6 -","2","1","","Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W.","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2011","133","11","4149","4150","10.1021/ja2002023","","","0.71073","MoKα","","0.0339","0.0306","","","0.0784","0.0804","","","","","","1.038","","","","has coordinates","210884","2020-10-21","18:00:00",""
"4105801","17.9685","0.0004","11.7323","0.0003","14.7031","0.0003","90","","106.506","0.001","90","","2971.85","0.12","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 F2 N O3 P2 Pd -","- C28 H42 F2 N O3 P2 Pd -","- C112 H168 F8 N4 O12 P8 Pd4 -","4","1","","Rafael Huacuja; Daniel J. Graham; Claudia M. Fafard; Chun-Hsing Chen; Bruce M. Foxman; David E. Herbert; Glen Alliger; Christine M. Thomas; Oleg V. Ozerov","Reactivity of a Pd(I)-Pd(I) Dimer with O2: Monohapto Pd Superoxide and Dipalladium Peroxide in Equilibrium","Journal of the American Chemical Society","2011","133","","3820","3823","10.1021/ja200346a","","","0.71073","MoKα","","0.0356","0.0258","","0.0733","0.0641","0.0733","","","","","","1.0055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105802","21.58","0.02","20.65","0.02","13.762","0.014","90","","125.419","0.01","90","","4998","8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 F2 N O P2 Pd -","- C24 H34 F2 N O P2 Pd -","- C192 H272 F16 N8 O8 P16 Pd8 -","8","1","","Rafael Huacuja; Daniel J. Graham; Claudia M. Fafard; Chun-Hsing Chen; Bruce M. Foxman; David E. Herbert; Glen Alliger; Christine M. Thomas; Oleg V. Ozerov","Reactivity of a Pd(I)-Pd(I) Dimer with O2: Monohapto Pd Superoxide and Dipalladium Peroxide in Equilibrium","Journal of the American Chemical Society","2011","133","","3820","3823","10.1021/ja200346a","","","0.71073","MoKα","","0.1011","0.0971","","","0.2273","0.2289","","","","","","1.314","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105803","21.8201","0.0019","12.0518","0.0011","22.574","0.002","90","","113.39","0.001","90","","5448.5","0.8","30","2","30","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H67 B Fe N7 P -","- C67 H67 B Fe N7 P -","- C268 H268 B4 Fe4 N28 P4 -","4","1","","Jeremiah J. Scepaniak; T. David Harris; Carola S. Vogel; Jörg Sutter; Karsten Meyer; Jeremy M. Smith","Spin Crossover in a Four-Coordinate Iron(II) Complex","Journal of the American Chemical Society","2011","133","","3824","3827","10.1021/ja2003473","","","0.71073","MoKα","","0.0631","0.0471","","","0.1198","0.1302","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105804","21.9674","0.0016","12.1412","0.0009","22.4515","0.0016","90","","112.585","0.001","90","","5528.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H67 B Fe N7 P -","- C67 H67 B Fe N7 P -","- C268 H268 B4 Fe4 N28 P4 -","4","1","","Jeremiah J. Scepaniak; T. David Harris; Carola S. Vogel; Jörg Sutter; Karsten Meyer; Jeremy M. Smith","Spin Crossover in a Four-Coordinate Iron(II) Complex","Journal of the American Chemical Society","2011","133","","3824","3827","10.1021/ja2003473","","","0.71073","MoKα","","0.0696","0.0477","","","0.1267","0.1418","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105805","22.1128","0.0013","12.1722","0.0007","22.5193","0.0013","90","","112.615","0.001","90","","5595.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H67 B Fe N7 P -","- C67 H67 B Fe N7 P -","- C268 H268 B4 Fe4 N28 P4 -","4","1","","Jeremiah J. Scepaniak; T. David Harris; Carola S. Vogel; Jörg Sutter; Karsten Meyer; Jeremy M. Smith","Spin Crossover in a Four-Coordinate Iron(II) Complex","Journal of the American Chemical Society","2011","133","","3824","3827","10.1021/ja2003473","","","0.71073","MoKα","","0.0695","0.0469","","","0.1225","0.1376","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105806","8.6569","0.0003","23.2021","0.0008","14.5399","0.0005","90","","106.911","0.002","90","","2794.17","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Cl Ni P2 -","- C30 H41 Cl Ni P2 -","- C120 H164 Cl4 Ni4 P8 -","4","1","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.0397","0.0302","","","0.0476","0.0482","","","","","","1.759","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105807","10.9521","0.0004","16.7037","0.0007","17.0594","0.0007","90","","106.816","0.002","90","","2987.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Cl2 Ni2 P2 -","- C30 H42 Cl2 Ni2 P2 -","- C120 H168 Cl8 Ni8 P8 -","4","1","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.0395","0.0268","","","0.0426","0.0432","","","","","","1.552","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105808","27.7671","0.0012","12.6722","0.0006","20.3587","0.0009","90","","112.212","0.002","90","","6632","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42.5 F3 N0.5 Ni O3 P2 S -","- C32 H42.5 F3 N0.5 Ni O3 P2 S -","- C256 H340 F24 N4 Ni8 O24 P16 S8 -","8","2","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.1199","0.1001","","","0.0925","0.0934","","","","","","2.908","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4105809","18.8883","0.0008","18.2168","0.0008","19.5092","0.0008","90","","116.405","0.002","90","","6012.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H53 B F24 Ni P2 -","- C62 H53 B F24 Ni P2 -","- C248 H212 B4 F96 Ni4 P8 -","4","1","","Sibo Lin; Michael W. Day; Theodor Agapie","Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel-Arene H-Migration and Partial Arene Hydrogenation","Journal of the American Chemical Society","2011","133","","3828","3831","10.1021/ja200368y","","","0.71073","MoKα","","0.0911","0.0479","","","0.0568","0.0586","","","","","","1.7","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4105810","11.4076","0.0002","15.005","0.0002","12.8787","0.0002","90","","102.091","0.002","90","","2155.56","0.06","293","","293","","","","","","","","","7","P 1 n 1","P -2yac","7","","Sc{BN2Ar2C2H2}(CH2SiMe3)2(THF)","","- C38 H66 B N2 O Sc Si2 -","- C38 H66 B N2 O Sc Si2 -","- C76 H132 B2 N4 O2 Sc2 Si4 -","2","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","0.71073","MoKα","","0.0714","0.0518","","0.0625","0.0531","0.051","","","","","","1.1107","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105811","21.3465","0.0003","10.3553","0.0002","23.5353","0.0004","90","","113.89","0.001","90","","4756.74","0.14","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Y{BN2Ar2C2H2}(CH2SiMe3)2(THF)2","","- C42 H74 B N2 O2 Si2 Y -","- C42 H74 B N2 O2 Si2 Y -","- C168 H296 B4 N8 O8 Si8 Y4 -","4","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","0.71073","MoKα","","0.1203","0.092","","0.102","0.0809","0.0781","","","","","","1.1096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105812","10.3787","0.0003","18.8034","0.0004","12.3583","0.0003","90","","102.152","0.002","90","","2357.74","0.1","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","Lu{BN2Ar2C2H2}(CH2SiMe3)2(THF)2","","- C42 H74 B Lu N2 O2 Si2 -","- C42 H74 B Lu N2 O2 Si2 -","- C84 H148 B2 Lu2 N4 O4 Si4 -","2","1","","Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford","Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues","Journal of the American Chemical Society","2011","133","","3836","3839","10.1021/ja2007092","","","1.54184","CuKα","","0.0631","0.0586","","0.0733","0.0688","0.0662","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105813","16.838","0.003","11.026","0.002","22.41","0.005","90","","90","","90","","4160.5","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H33 N3 O11 Zn2 -","- C42 H24 N3 O11 Zn2 -","- C168 H96 N12 O44 Zn8 -","4","0.5","","Sanhita Pramanik; Chong Zheng; Xiao Zhang; Thomas J. Emge; Jing Li","New Microporous Metal-Organic Framework Demonstrating Unique Selectivity for Detection of High Explosives and Aromatic Compounds","Journal of the American Chemical Society","2011","133","","4153","4155","10.1021/ja106851d","","","0.71073","MoKα","","0.1134","0.0626","","","0.1835","0.2265","","","","","","1.065","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105814","6.0402","0.0012","8.902","0.0018","18.078","0.004","90.7","0.03","92.98","0.03","99.81","0.03","956.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O -","- C24 H21 N O -","- C48 H42 N2 O2 -","2","1","","Zhenhua Zhang; Yiyang Liu; Lin Ling; Yuxue Li; Yian Dong; Mingxing Gong; Xiaokun Zhao; Yan Zhang; Jianbo Wang","Pd-Catalyzed Carbonylation of Diazo Compounds at Atmospheric Pressure: A Catalytic Approach to Ketenes","Journal of the American Chemical Society","2011","133","","4330","4341","10.1021/ja107351d","","","0.71073","MoKα","","0.146","0.0536","","","0.1147","0.1232","","","","","","1.023","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105815","26.589","0.007","31.767","0.008","13.739","0.003","90","","90","","90","","11605","5","291","2","291","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 Cu4 I2 N18 S4 W -","- C36 H24 Cu4 I2 N18 S4 W -","- C288 H192 Cu32 I16 N144 S32 W8 -","8","0.5","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules","Journal of the American Chemical Society","2011","133","","4172","4174","10.1021/ja109437d","","","0.71073","MoKα","","0.0729","0.049","","","0.1223","0.1298","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105816","26.86","0.006","31.492","0.007","13.905","0.005","90","","90","","90","","11762","6","291","2","291","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 Cu4 I2 N18 S4 W -","- C36 H24 Cu4 I2 N18 S4 W -","- C288 H192 Cu32 I16 N144 S32 W8 -","8","0.5","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules","Journal of the American Chemical Society","2011","133","","4172","4174","10.1021/ja109437d","","","0.71073","MoKα","","0.0839","0.0636","","","0.1581","0.1676","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105817","30.7887","0.0008","30.7887","0.0008","30.7887","0.0008","90","","90","","90","","29186","1.3","296","2","296","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C576 H192 Cl24 Cu96 N24 O556 P4 W48 -","- C576 H192 Cl24 Cu96 N24 O556 P4 W48 -","- C576 H192 Cl24 Cu96 N24 O556 P4 W48 -","1","0.00520833","","Feng-Ji Ma; Shu-Xia Liu; Chun-Yan Sun; Da-Dong Liang; Guo-Jian Ren; Feng Wei; Ya-Guang Chen; Zhong-Min Su","A Sodalite-Type Porous Metal-Organic Framework with Polyoxometalate Templates: Adsorption and Decomposition of Dimethyl Methylphosphonate","Journal of the American Chemical Society","2011","133","","4178","4181","10.1021/ja109659k","","","0.71073","MoKα","","0.0428","0.039","","","0.1289","0.1323","","","","","","1.013","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105818","12.7826","0.0003","15.4624","0.0003","20.46","0.0004","90","","91.789","0.001","90","","4041.94","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 Fe O P3 Si -","- C43 H60 Fe O P3 Si -","- C172 H240 Fe4 O4 P12 Si4 -","4","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.0288","0.0273","","","0.0706","0.0716","","","","","","1.044","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105819","17.9012","0.0007","17.9012","0.0007","13.0887","0.001","90","","90","","120","","3632.4","0.3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C49 H78 Fe Na O4 P3 Si -","- C49 H78 Fe Na O4 P3 Si -","- C147 H234 Fe3 Na3 O12 P9 Si3 -","3","0.333333","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","0.71073","MoKα","","0.0295","0.0272","","","0.0635","0.0649","","","","","","1.033","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105820","11.0922","0.0004","17.9941","0.001","20.9965","0.0009","90","","94.549","0.002","90","","4177.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 Fe O P3 Si2 -","- C40 H63 Fe O P3 Si2 -","- C160 H252 Fe4 O4 P12 Si8 -","4","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.0407","0.0316","","","0.0758","0.0815","","","","","","0.982","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105821","12.9938","0.0003","38.3547","0.0008","14.3803","0.0003","90","","92.432","0.001","90","","7160.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H66 B F24 Fe O P3 Si -","- C69 H66 B F24 Fe O P3 Si -","- C276 H264 B4 F96 Fe4 O4 P12 Si4 -","4","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.052","0.0481","","","0.1097","0.1117","","","","","","1.126","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105822","12.7131","0.0002","16.3092","0.0003","19.1176","0.0004","106.247","0.001","100.47","0.001","100.089","0.001","3633.37","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H65 B Cl F24 Fe P3 Si -","- C70.5 H72 B Cl F24.02 Fe P3 Si -","- C141 H144 B2 Cl2 F48.04 Fe2 P6 Si2 -","2","1","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","1.54178","CuKα","","0.0394","0.039","","","0.1101","0.1105","","","","","","0.857","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105823","8.817","0.004","21.151","0.009","10.788","0.004","90","","95.286","0.007","90","","2003.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(mu-phenylamido)bis(tetrahydrofuran) bis[bis(trimethylsilyl)amido]dimanganese(II)","","- C32 H64 Mn2 N4 O2 Si4 -","- C32 H64 Mn2 N4 O2 Si4 -","- C64 H128 Mn4 N8 O4 Si8 -","2","0.5","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0294","0.024","","","0.0614","0.0644","","","","","","1.049","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105824","25.781","0.007","12.04","0.004","21.765","0.006","90","","118.509","0.017","90","","5937","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(mu-3-N,N'-diphenylhydrazido)N,N'diphenylhydrazidobis(mu-phenylamido) tetrakis(tetrahydrofuran)tetramanganese(II)","","- C64 H74 Mn4 N8 O4 -","- C64 H74 Mn4 N8 O4 -","- C256 H296 Mn16 N32 O16 -","4","0.5","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0435","0.0314","","","0.0748","0.079","","","","","","0.965","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105825","22.764","0.003","14.0803","0.0016","24.148","0.003","90","","109.392","0.002","90","","7300.9","1.6","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(mu-3-N,N'-diphenylhydrazido)N,N'diphenylhydrazidobis(mu-phenylamido) tetrapyridinetetramanganese(II)","","- C83 H77 Mn4 N15 -","- C83 H77 Mn4 N15 -","- C332 H308 Mn16 N60 -","4","1","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0709","0.0401","","","0.0898","0.102","","","","","","1.017","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105826","13.8679","0.0019","12.1188","0.0016","18.512","0.003","90","","97.116","0.002","90","","3087.2","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","manganese bis(tms-amide) bis(THF)","bis(tetrahydrofuran)bis[bis(trimethylsilylamido)]manganese(II)","","- C20 H52 Mn N2 O2 Si4 -","- C20 H52 Mn N2 O2 Si4 -","- C80 H208 Mn4 N8 O8 Si16 -","4","1","","Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla","Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with ""Pinned Butterfly"" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine","Journal of the American Chemical Society","2011","133","","4208","4211","10.1021/ja110536t","","","0.71073","MoKα","","0.0458","0.0333","","","0.0926","0.097","","","","","","1.031","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105827","18.8354","0.0004","26.6616","0.0005","30.5877","0.0006","90","","92.929","0.001","90","","15340.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C124 H140 Cl3 F12 N8 O32 P2 S8 -","- C124 H140 Cl3 F12 N8 O32 P2 S8 -","- C496 H560 Cl12 F48 N32 O128 P8 S32 -","4","1","","Ali Coskun; Jason M. Spruell; Gokhan Barin; Albert C. Fahrenbach; Ross S. Forgan; Michael T. Colvin; Raanan Carmieli; Diego Benítez; Ekaterina Tkatchouk; Douglas C. Friedman; Amy A. Sarjeant; Michael R. Wasielewski; William A. Goddard; J. Fraser Stoddart","Mechanically Stabilized Tetrathiafulvalene Radical Dimers","Journal of the American Chemical Society","2011","133","","4538","4547","10.1021/ja110584c","","","1.54178","CuKα","","0.1265","0.0909","","","0.2571","0.2856","","","","","","0.98","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105828","12.7199","0.0011","7.2298","0.0007","18.0394","0.0017","90","","99.098","0.002","90","","1638.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 B2 -","- C24 H18 B2 -","- C96 H72 B8 -","4","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.0747","0.0521","","","0.115","0.1289","","","","","","1.049","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105829","9.0283","0.0009","11.5995","0.0011","12.015","0.0012","77.043","0.008","68.701","0.008","85.064","0.008","1142.5","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 B2 -","- C30 H28 B2 -","- C60 H56 B4 -","2","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.0702","0.048","","","0.1145","0.1236","","","","","","0.946","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105830","14.8385","0.0016","5.8312","0.0006","17.7349","0.0017","90","","106.659","0.008","90","","1470.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B -","- C18 H19 B -","- C72 H76 B4 -","4","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.1037","0.0804","","","0.238","0.2485","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105831","21.5133","0.0018","14.074","0.0013","19.1807","0.0015","90","","93.461","0.007","90","","5796.9","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 B2 N2 -","- C37 H31 B2 N2 -","- C296 H248 B16 N16 -","8","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.1304","0.0606","","","0.0931","0.1123","","","","","","0.929","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105832","12.8597","0.0007","13.1616","0.0007","14.4382","0.0008","84.743","0.002","78.404","0.001","78.524","0.001","2342.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C63 H51.25 B4.75 -","- C63 H51.25 B4.75 -","- C126 H102.5 B9.5 -","2","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.114","0.0715","","","0.1698","0.1914","","","","","","1.083","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105833","21.413","0.002","15.0677","0.0017","15.0115","0.0016","90","","104.776","0.003","90","","4683.2","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C63 H55 B6 -","- C63 H55 B6 -","- C252 H220 B24 -","4","1","","Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner","Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene","Journal of the American Chemical Society","2011","133","","4596","4609","10.1021/ja110947k","","","0.71073","MoKα","","0.1314","0.1057","","","0.2792","0.2989","","","","","","1.077","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105834","12.2935","0.0003","21.9361","0.0007","14.0308","0.0005","90","","102.427","0.001","90","","3695.1","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H27 B F15 P -","- C44 H27 B F15 P -","- C176 H108 B4 F60 P4 -","4","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.0489","0.044","","","0.1198","0.1239","","","","","","1.053","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105835","9.5993","0.0005","11.3438","0.0008","15.428","0.0015","87.124","0.005","89.616","0.004","70.239","0.003","1579","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H17 B F15 P -","- C35 H17 B F15 P -","- C70 H34 B2 F30 P2 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.0688","0.0489","","","0.1088","0.1228","","","","","","1.064","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105836","9.7976","0.0002","10.846","0.0004","21.187","0.0007","95.231","0.002","102.492","0.002","104.305","0.002","2104.94","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H22 B Cl2 F15 P2 -","- C45 H22 B Cl2 F15 P2 -","- C90 H44 B2 Cl4 F30 P4 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.1257","0.0769","","","0.1866","0.2242","","","","","","1.038","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105837","10.4606","0.0004","13.1363","0.0005","16.4911","0.0007","91.614","0.002","103.553","0.002","95.609","0.003","2189.39","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H28 B F15 P2 -","- C51 H28 B F15 P2 -","- C102 H56 B2 F30 P4 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker","P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage","Journal of the American Chemical Society","2011","133","","4610","4616","10.1021/ja1110283","","","1.54178","CuKα","","0.0537","0.0503","","","0.1389","0.1423","","","","","","1.037","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105838","13.799","0.003","14.187","0.003","14.323","0.003","90","","90","","90","","2804","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Pr4 S9 Sb -","- Ga Pr4 S9 Sb -","- Ga8 Pr32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0204","0.018","","","0.0335","0.0417","","","","","","1.127","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105839","13.759","0.005","14.113","0.005","14.3","0.005","90","","90","","90","","2776.8","1.7","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Nd4 S9 Sb -","- Ga Nd4 S9 Sb -","- Ga8 Nd32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0194","0.0165","","","0.0381","0.0693","","","","","","1.228","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105840","13.64","0.003","13.983","0.003","14.166","0.003","90","","90","","90","","2701.9","1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga S9 Sb Sm4 -","- Ga S9 Sb Sm4 -","- Ga8 S72 Sb8 Sm32 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0411","0.0367","","","0.0857","0.1338","","","","","","1.091","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105841","13.5733","0.0016","13.8956","0.0018","14.0982","0.0019","90","","90","","90","","2659","0.6","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Gd4 S9 Sb -","- Ga Gd4 S9 Sb -","- Ga8 Gd32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0128","0.0114","","","0.0265","0.0596","","","","","","1.307","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105842","13.53","0.005","13.85","0.005","14.05","0.005","90","","90","","90","","2632.8","1.7","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga S9 Sb Tb4 -","- Ga S9 Sb Tb4 -","- Ga8 S72 Sb8 Tb32 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.036","0.0329","","","0.0694","0.0722","","","","","","1.044","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105843","13.4762","0.0014","13.8105","0.0011","14.0109","0.0016","90","","90","","90","","2607.6","0.5","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Dy4 Ga S9 Sb -","- Dy4 Ga S9 Sb -","- Dy32 Ga8 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0274","0.0255","","","0.0509","0.052","","","","","","1","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105844","13.427","0.005","13.756","0.005","13.954","0.005","90","","90","","90","","2577.3","1.6","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- Ga Ho4 S9 Sb -","- Ga Ho4 S9 Sb -","- Ga8 Ho32 S72 Sb8 -","8","","","Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen","In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR","Journal of the American Chemical Society","2011","133","","4617","4624","10.1021/ja1111095","","","0.71073","MoKα","","0.0322","0.0305","","","0.0634","0.0645","","","","","","1.015","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105845","18.4918","0.0014","26.861","0.002","41.776","0.003","90","","90","","90","","20750","3","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H0 N7 O10 Ru0.5 Zn2 -","- C40.066 N7.006 O10 Ru0.499 Zn2 -","- C320.528 N56.048 O80 Ru3.992 Zn16 -","8","1","","Cheng Wang; Wenbin Lin","Diffusion-Controlled Luminescence Quenching in Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","4232","4235","10.1021/ja111197d","","","1.54178","CuKα","","0.188","0.1472","","","0.3545","0.3907","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105846","10.635","0.011","14.068","0.015","11.104","0.012","90","","100.694","0.013","90","","1632","3","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl N2 Ru -","- C16 H23 Cl N2 Ru -","- C64 H92 Cl4 N8 Ru4 -","4","1","","Masato Ito; Takashi Ootsuka; Ryo Watari; Akira Shiibashi; Akio Himizu; Takao Ikariya","Catalytic Hydrogenation of Carboxamides and Esters by Well-Defined Cp*Ru Complexes Bearing a Protic Amine Ligand","Journal of the American Chemical Society","2011","133","","4240","4242","10.1021/ja1117254","","","0.7107","MoKα","","","0.0688","","","","0.2026","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105847","12.251","0.004","18.924","0.006","13.226","0.005","90","","115.098","0.012","90","","2776.8","1.7","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H63 B2 N7 O2 -","- C72 H63 B2 N7 O2 -","- C144 H126 B4 N14 O4 -","2","1","","Shin-ya Hayashi; Eiji Tsurumaki; Yasuhide Inokuma; Pyosang Kim; Young Mo Sung; Dongho Kim; Atsuhiro Osuka","Synthesis and Properties of Boron(III)-Coordinated Subbacteriochlorins","Journal of the American Chemical Society","2011","133","","4254","4256","10.1021/ja200669a","","","0.71075","MoKα","","0.1045","0.0631","","","0.1613","0.184","","","","","","1.016","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105848","9.0021","0.001","11.5914","0.0015","19.505","0.003","95.568","0.004","90.19","0.004","105.958","0.004","1946.7","0.4","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C42 H45 O0.5 P2 Si2 -","- C42 H45 O0.5 P2 Si2 -","- C84 H90 O P4 Si4 -","2","1","","Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou","A Crystalline σ Complex of Copper","Journal of the American Chemical Society","2011","133","","4257","4259","10.1021/ja200789z","","x-ray","0.71073","MoKα","","0.0781","0.0514","","","0.1175","0.1299","","","","","","1.036","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105849","11.3864","0.0003","13.1062","0.0003","16.1426","0.0004","74.488","0.002","82.906","0.002","75.135","0.002","2239.67","0.1","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41 H42 Cl6 Cu Ga P2 Si2 -","- C41 H42 Cl6 Cu Ga P2 Si2 -","- C82 H84 Cl12 Cu2 Ga2 P4 Si4 -","2","1","","Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou","A Crystalline σ Complex of Copper","Journal of the American Chemical Society","2011","133","","4257","4259","10.1021/ja200789z","","x-ray","0.71073","MoKα","","0.1098","0.0498","","","0.0977","0.1177","","","","","","0.981","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105850","12.8111","0.001","13.1996","0.0011","15.216","0.0012","85.074","0.003","77.905","0.003","67.032","0.003","2316.4","0.3","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C41.5 H43 Ag Cl7 Ga P2 Si2 -","- C41.5 H43 Ag Cl7 Ga P2 Si2 -","- C83 H86 Ag2 Cl14 Ga2 P4 Si4 -","2","1","","Pauline Gualco; Abderrahmane Amgoune; Karinne Miqueu; Sonia Ladeira; Didier Bourissou","A Crystalline σ Complex of Copper","Journal of the American Chemical Society","2011","133","","4257","4259","10.1021/ja200789z","","x-ray","0.71073","MoKα","","0.0538","0.0419","","","0.1035","0.1107","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105851","6.716","0.004","10.752","0.006","26.541","0.014","90","","90","","90","","1916.5","1.9","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl2 N O Pt -","- C17 H25 Cl2 N O Pt -","- C68 H100 Cl8 N4 O4 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.073","","","","0.1602","","","","","","1.135","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105852","14.2661","0.0005","15.0088","0.0005","15.1843","0.0005","91.591","0.002","99.021","0.002","115.438","0.002","2883.16","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Cl Fe N2 O -","- C30 H41 Cl Fe N2 O -","- C120 H164 Cl4 Fe4 N8 O4 -","4","2","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MoKα","","0.0692","0.0425","","","0.1029","0.1154","","","","","","1.018","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105853","14.497","0.003","16.196","0.003","18.331","0.003","90","","106.605","0.003","90","","4124.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H65 Cl Fe N2 O2 -","- C46 H65 Cl Fe N2 O2 -","- C184 H260 Cl4 Fe4 N8 O8 -","4","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MoKα","","0.1005","0.0525","","","0.1202","0.1471","","","","","","1.008","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105854","12.535","0.0005","13.6512","0.0006","20.425","0.0008","75.509","0.002","85.664","0.002","65.022","0.002","3065.6","0.2","100","2","99.84","","","","","","","","","3","P -1","-P 1","2","(ArDpme)H","5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethene","","- C84 H68 N2 -","- C84 H68 N2 -","- C168 H136 N4 -","2","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.0564","0.0426","","","0.1042","0.1138","","","","","","1.022","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105855","15.84","0.005","21.273","0.007","19.136","0.009","90","","108.066","0.005","90","","6130","4","100","2","99.83","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(ArDpme)FeCl","5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato iron(II) chloride","","- C81.31 H64.31 Cl Fe N2 -","- C81.312 H64.312 Cl Fe N2 -","- C325.248 H257.248 Cl4 Fe4 N8 -","4","0.5","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.2403","0.0859","","","0.2152","0.3056","","","","","","1","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105856","14.4691","0.0012","21.4975","0.0018","23.56","0.002","94.342","0.001","93.778","0.001","102.927","0.001","7096.2","1","273","2","273","","","","","","","","","5","P -1","-P 1","2","((ArDpme)FeCl(NC6H5))2","bis(5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato) diiron(III) dichloride mu-(N-imidocyclohexa-2,5-dien-1-yl)anilide","","- C168 H132 Cl2 Fe2 N6 -","- C168 H132 Cl2 Fe2 N6 -","- C336 H264 Cl4 Fe4 N12 -","2","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.1253","0.0563","","","0.1267","0.1449","","","","","","0.878","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105857","21.0117","0.001","12.2392","0.0006","25.0442","0.0012","90","","91.18","0.001","90","","6439.2","0.5","99.86","","99.86","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(ArDpme)FeCl(NC6H4tBu)","5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato iron(III) chloride 4-tert-butylphenylimido radical","","- C81 H74 Cl Fe N3 -","- C81 H74 Cl Fe N3 -","- C324 H296 Cl4 Fe4 N12 -","4","1","","Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley","Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes","Journal of the American Chemical Society","2011","133","","4917","4923","10.1021/ja110066j","","","0.71073","MOKα","","0.0645","0.0423","","","0.0954","0.1074","","","","","","1.041","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105858","7.8804","0.0004","10.097","0.0005","18.4834","0.001","90","","95.244","0.004","90","","1464.54","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H27 Cl N2 O6 -","- C35 H27 Cl N2 O6 -","- C70 H54 Cl2 N4 O12 -","2","1","","Bin Tan; Nuno R. Candeias; Carlos F. Barbas","Core-Structure-Motivated Design of a Phosphine-Catalyzed [3 + 2] Cycloaddition Reaction: Enantioselective Syntheses of Spirocyclopenteneoxindoles","Journal of the American Chemical Society","2011","133","","4672","4675","10.1021/ja110147w","","","1.54178","CuKα","","0.0417","0.0345","","","0.0803","0.0845","","","","","","1.01","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105859","9.4","0.0018","10.1544","0.0019","30.775","0.006","90","","90","","90","","2937.5","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl N O7 -","- C30 H32 Cl N O7 -","- C120 H128 Cl4 N4 O28 -","4","1","","Bin Tan; Nuno R. Candeias; Carlos F. Barbas","Core-Structure-Motivated Design of a Phosphine-Catalyzed [3 + 2] Cycloaddition Reaction: Enantioselective Syntheses of Spirocyclopenteneoxindoles","Journal of the American Chemical Society","2011","133","","4672","4675","10.1021/ja110147w","","","0.71073","MoKα","","0.0359","0.0323","","","0.0755","0.0781","","","","","","1.04","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105860","10.8142","0.001","11.3685","0.0011","16.6972","0.0015","80.403","0.007","76.877","0.008","89.887","0.01","1969.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.53 H50.53 B2 I0.07 N12 U -","- C36.531 H50.531 B2 I0.067 N12 U -","- C73.062 H101.062 B4 I0.134 N24 U2 -","2","1","","Ellen M. Matson; William P. Forrest; Phillip E. Fanwick; Suzanne C. Bart","Functionalization of Carbon Dioxide and Carbon Disulfide Using a Stable Uranium(III) Alkyl Complex","Journal of the American Chemical Society","2011","133","","4948","4954","10.1021/ja110158s","","","1.54184","CU-Kα","","0.08","0.072","","","0.186","0.193","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105861","10.5432","0.0004","22.3645","0.0008","19.0939","0.0006","90","","92.703","0.002","90","","4497.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 B2 N12 O3 U -","- C42 H59 B2 N12 O3 U -","- C168 H236 B8 N48 O12 U4 -","4","1","","Ellen M. Matson; William P. Forrest; Phillip E. Fanwick; Suzanne C. Bart","Functionalization of Carbon Dioxide and Carbon Disulfide Using a Stable Uranium(III) Alkyl Complex","Journal of the American Chemical Society","2011","133","","4948","4954","10.1021/ja110158s","","","1.54184","CU-Kα","","0.066","0.061","","","0.164","0.171","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105862","18.311","0.002","12.1533","0.0014","20.892","0.003","90","","103.439","0.001","90","","4522","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 Fe N4 Si2 Y -","- C48 H55 Fe N4 Si2 Y -","- C192 H220 Fe4 N16 Si8 Y4 -","4","1","","Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals","Journal of the American Chemical Society","2011","133","","4680","4683","10.1021/ja110505r","","","0.71073","MoKα","","0.0698","0.0429","","","0.0954","0.1061","","","","","","1.016","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105863","25.084","0.002","17.1073","0.0015","28.101","0.003","90","","110.8","0.001","90","","11272.8","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H172 Fe2 N6 O4 Si4 Y2 -","- C116 H172 Fe2 N6 O4 Si4 Y2 -","- C464 H688 Fe8 N24 O16 Si16 Y8 -","4","1","","Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals","Journal of the American Chemical Society","2011","133","","4680","4683","10.1021/ja110505r","","","0.71073","MoKα","","0.104","0.053","","","0.1107","0.1284","","","","","","1.008","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105864","18.664","0.004","21.774","0.004","18.892","0.004","90","","107.578","0.003","90","","7319","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C67 H112 Fe2 Lu2 N8 O Si4 -","- C67 H112 Fe2 Lu2 N8 O Si4 -","- C268 H448 Fe8 Lu8 N32 O4 Si16 -","4","0.5","","Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu","An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals","Journal of the American Chemical Society","2011","133","","4680","4683","10.1021/ja110505r","","","0.71073","MoKα","","0.1185","0.0734","","","0.1402","0.1576","","","","","","1.128","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105865","13.5833","0.0005","15.993","0.0005","21.7485","0.0008","88.083","0.003","81.99","0.003","72.782","0.003","4468.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H87 Na13 O90 P10 Pd15 -","- Na12.1 O89.25 P10 Pd15 -","- Na24.2 O178.5 P20 Pd30 -","2","1","","Feng Xu; Rachel A. Scullion; Jun Yan; Haralampos N. Miras; Christoph Busche; Antonino Scandurra; Bruno Pignataro; De-Liang Long; Leroy Cronin","A Supramolecular Heteropolyoxopalladate {Pd15} Cluster Host Encapsulating a {Pd2} Dinuclear Guest: [PdII2@{H7PdII15O10(PO4)10}]9-","Journal of the American Chemical Society","2011","133","","4684","4686","10.1021/ja1105514","","","1.54184","CuKα","","0.0759","0.0502","","","0.1246","0.1389","","","","","","1.016","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105866","14.91","0.0002","14.9327","0.0003","23.0483","0.0004","87.27","0.002","82.755","0.002","73.821","0.002","4888.62","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H87 Na9 O90 P10 Pd17 -","- Na8.75 O90 P10 Pd17 -","- Na17.5 O180 P20 Pd34 -","2","1","","Feng Xu; Rachel A. Scullion; Jun Yan; Haralampos N. Miras; Christoph Busche; Antonino Scandurra; Bruno Pignataro; De-Liang Long; Leroy Cronin","A Supramolecular Heteropolyoxopalladate {Pd15} Cluster Host Encapsulating a {Pd2} Dinuclear Guest: [PdII2@{H7PdII15O10(PO4)10}]9-","Journal of the American Chemical Society","2011","133","","4684","4686","10.1021/ja1105514","","","1.54184","CuKα","","0.037","0.0319","","","0.0883","0.0916","","","","","","1.036","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105867","7.79779","0.00006","7.79779","","15.96933","0.00017","90","","90","","120","","840.931","0.011","298","","298","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- Al B5 H38 Li2 N6 -","- Al B5 H38 Li2 N6 -","- Al2 B10 H76 Li4 N12 -","2","0.166667","","Yanhui Guo; Hui Wu; Wei Zhou; Xuebin Yu","Dehydrogenation Tuning of Ammine Borohydrides Using Double-Metal Cations","Journal of the American Chemical Society","2011","133","","4690","4693","10.1021/ja1105893","powder diffraction","x-ray","1.2372","synchrotron","","","","","","","","0.0601","","1.795","","","","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105868","9.5175","0.0014","5.8072","0.0008","16.988","0.002","90","","90.954","0.002","90","","938.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DPh-NDT4","DPh-NDT4","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","0.7107","MoKα","","0.0707","0.0531","","","0.1408","0.1727","","","","","","0.81","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105869","6.334","0.002","7.462","0.005","19.516","0.002","90","","93.06","0.03","90","","921.1","0.7","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","DPh-BTBT","DPh-BTBT","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","1","synchrotron","","0.1064","0.0843","","","0.2231","0.2377","","","","","","1.011","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105870","5.922","0.01","7.595","0.012","40.63","0.07","90","","93.753","0.006","90","","1824","5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","DPh-NDT1","DPh-NDT1","","- C26 H16 S2 -","- C27 H16 S1.62 -","- C108 H64 S6.48 -","4","1","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","0.7107","MoKα","","0.1334","0.0949","","","0.266","0.3005","","","","","","1.116","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105871","7.6089","0.0005","11.0529","0.0008","15.906","0.0011","90","","90","","90","","1337.7","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N3 O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","","Benjamin J. Stokes; Sheng Liu; Tom G. Driver","Rh2(II)-Catalyzed Nitro-Group Migration Reactions: Selective Synthesis of 3-Nitroindoles from β-Nitro Styryl Azides","Journal of the American Chemical Society","2011","133","","4702","4705","10.1021/ja111060q","","","0.71073","MoKα","","0.0386","0.0358","","","0.0959","0.0976","","","","","","1.028","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105872","10.9831","0.0003","12.3901","0.0002","23.3125","0.0004","90","","90","","90","","3172.4","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N5 O9 -","- C31 H35 N5 O9 -","- C124 H140 N20 O36 -","4","1","","Zhi-Jun Jia; Hao Jiang; Jun-Long Li; Björn Gschwend; Qing-Zhu Li; Xiang Yin; Julie Grouleff; Ying-Chun Chen; Karl Anker Jørgensen","Trienamines in Asymmetric Organocatalysis: Diels-Alder and Tandem Reactions","Journal of the American Chemical Society","2011","133","","5053","5061","10.1021/ja1112194","","","1.54184","CuKα","","0.0505","0.0472","","","0.128","0.131","","","","","","1.059","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105873","9.2525","0.0004","7.5766","0.0003","11.1876","0.0004","90","","103.735","0.002","90","","761.85","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","","Jørn H. Hansen; Timothy M. Gregg; Stephanie R. Ovalles; Yajing Lian; Jochen Autschbach; Huw M. L. Davies","On the Mechanism and Selectivity of the Combined C-H Activation/Cope Rearrangement","Journal of the American Chemical Society","2011","133","","5076","5085","10.1021/ja111408v","","","1.54178","CuKα","","0.0294","0.0292","","","0.0761","0.0762","","","","","","1.057","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105874","5.9374","0.0004","8.0353","0.0005","28.7626","0.0019","90","","90","","90","","1372.23","0.16","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Jørn H. Hansen; Timothy M. Gregg; Stephanie R. Ovalles; Yajing Lian; Jochen Autschbach; Huw M. L. Davies","On the Mechanism and Selectivity of the Combined C-H Activation/Cope Rearrangement","Journal of the American Chemical Society","2011","133","","5076","5085","10.1021/ja111408v","","","0.71073","MoKα","","0.0465","0.0337","","","0.0594","0.0629","","","","","","0.927","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105875","8.99","0.0008","15.464","0.0015","19.013","0.0019","89.362","0.005","87.15","0.005","84.547","0.005","2627.9","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","[(t-Bu2MeSi)4Ge4]Fe(CO)3","","- C39 H84 Fe Ge4 O3 Si4 -","- C39 H84 Fe Ge4 O3 Si4 -","- C78 H168 Fe2 Ge8 O6 Si8 -","2","1","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.7107","MoKα","","0.1082","0.0586","","","0.1391","0.1666","","","","","","0.954","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105876","19.3738","0.0008","15.928","0.0006","17.0381","0.0007","90","","90","","90","","5257.7","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C41 H89 Co Ge4 Si4 -","- C41 H89 Co Ge4 Si4 -","- C164 H356 Co4 Ge16 Si16 -","4","0.5","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.71073","MoKα","","0.0326","0.0223","","","0.0511","0.0548","","","","","","1.042","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105877","41.297","0.0009","15.666","0.0007","17.271","0.0007","90","","112.773","0.002","90","","10302.6","0.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichlorotetragermetene","","- C36 H84 Cl2 Ge4 Si4 -","- C36 H84 Cl2 Ge4 Si4 -","- C288 H672 Cl16 Ge32 Si32 -","8","1","","Vladimir Ya. Lee; Yuki Ito; Hiroyuki Yasuda; Kazunori Takanashi; Akira Sekiguchi","From Tetragermacyclobutene to Tetragermacyclobutadiene Dianion to Tetragermacyclobutadiene Transition Metal Complexes","Journal of the American Chemical Society","2011","133","","5103","5108","10.1021/ja111596g","","","0.7107","MoKα","","0.0613","0.0432","","","0.1108","0.1203","","","","","","0.997","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105878","10.0066","0.0005","11.3661","0.0006","12.8556","0.0009","62.181","0.002","77.287","0.002","70.1211","0.0014","1212.79","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N2 O2 Si -","- C33 H22 N2 O2 Si -","- C66 H44 N4 O4 Si2 -","2","1","","Naoya Sakamoto; Chusaku Ikeda; Masaki Yamamura; Tatsuya Nabeshima","Structural Interconversion and Regulation of Optical Properties of Stable Hypercoordinate Dipyrrin-Silicon Complexes","Journal of the American Chemical Society","2011","133","","4726","4729","10.1021/ja2001924","","","0.71075","MoKα","","0.0807","0.0627","","","0.1492","0.1564","","","","","","1.101","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105879","10.6726","0.0012","10.9105","0.0009","11.2603","0.0012","65.661","0.002","76.871","0.003","87.781","0.003","1161.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N2 O2.5 Si -","- C30 H23 N2 O2.5 Si -","- C60 H46 N4 O5 Si2 -","2","1","","Naoya Sakamoto; Chusaku Ikeda; Masaki Yamamura; Tatsuya Nabeshima","Structural Interconversion and Regulation of Optical Properties of Stable Hypercoordinate Dipyrrin-Silicon Complexes","Journal of the American Chemical Society","2011","133","","4726","4729","10.1021/ja2001924","","","0.71075","MoKα","","0.0893","0.0562","","","0.1392","0.1617","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105880","10.346","0.002","12.941","0.002","11.634","0.0017","90","","90","","90","","1557.6","0.4","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H22 Er -","- C18 H22 Er -","- C72 H88 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.025","0.0235","","","0.0607","0.0616","","","","","","1.112","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105881","10.3701","0.0007","12.8625","0.001","11.5956","0.0007","90","","90","","90","","1546.68","0.18","20","2","20","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H23 Er -","- C72 H92 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.0621","0.0522","","","0.1237","0.1292","","","","","","1.081","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105882","10.1588","0.0007","12.8965","0.001","11.7144","0.0008","90","","90","","90","","1534.74","0.19","10","2","10","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H23 Er -","- C18 H23 Er -","- C72 H92 Er4 -","4","0.5","","Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao","An Organometallic Single-Ion Magnet","Journal of the American Chemical Society","2011","133","","4730","4733","10.1021/ja200198v","","","0.71073","MoKα","","0.0696","0.0561","","","0.1354","0.1431","","","","","","1.082","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105883","5.8881","0.0002","12.0278","0.0003","24.8051","0.0007","90","","90","","90","","1756.72","0.09","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O -","- C22 H17 Br N2 O -","- C88 H68 Br4 N8 O4 -","4","1","","Kevin M. Oberg; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Isocyanates","Journal of the American Chemical Society","2011","133","","4785","4787","10.1021/ja200766k","","","0.71073","MoKα","","0.0869","0.0497","","","0.1249","0.1933","","","","","","1.143","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105884","6.3135","0.0004","10.2813","0.001","13.8719","0.001","76.283","0.007","85.876","0.006","77.838","0.007","854.9","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0887","0.0427","","","0.0812","0.0891","","","","","","0.83","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105885","14.5171","0.0009","11.6682","0.0008","12.0141","0.0008","90","","98.276","0.007","90","","2013.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0734","0.0351","","","0.0634","0.068","","","","","","0.806","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105886","31.5413","0.0005","5.4905","0.0001","25.8592","0.0004","90","","110.793","0.0008","90","","4186.55","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 F3 N O2 S -","- C23 H26 F3 N O2 S -","- C184 H208 F24 N8 O16 S8 -","8","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0516","0.0383","","","0.0876","0.0938","","","","","","1.088","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105887","5.4884","0.0002","11.8978","0.0008","14.2002","0.0007","77.357","0.005","86.323","0.004","87.651","0.004","902.58","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C40 H44 N4 O4 S2 -","2","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0646","0.0371","","","0.0797","0.0847","","","","","","0.886","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105888","22.4013","0.0009","14.5197","0.0005","15.9116","0.0007","90","","116.267","0.0019","90","","4641","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F3 N2 O2 S -","- C26 H23 F3 N2 O2 S -","- C208 H184 F24 N16 O16 S8 -","8","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0757","0.0448","","","0.0959","0.1096","","","","","","1.009","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105889","22.3664","0.0008","14.5275","0.0006","15.9004","0.0005","90","","116.21","0.0018","90","","4635.3","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F3 N2 O2 S -","- C26 H23 F3 N2 O2 S -","- C208 H184 F24 N16 O16 S8 -","8","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0916","0.0484","","","0.1124","0.1319","","","","","","1.037","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105890","7.4047","0.0006","9.5212","0.0009","13.7988","0.0011","88.074","0.007","76.203","0.007","87.599","0.007","943.66","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C40 H44 N4 O4 S2 -","2","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.1365","0.0539","","","0.1011","0.1174","","","","","","0.831","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105891","10.1552","0.0005","11.7039","0.0005","16.2918","0.0008","90","","98.366","0.004","90","","1915.76","0.16","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F3 N O2 S -","- C20 H22 F3 N O2 S -","- C80 H88 F12 N4 O8 S4 -","4","1","","Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel","Highly Diastereoselective Arylations of Substituted Piperidines","Journal of the American Chemical Society","2011","133","","4774","4777","10.1021/ja201008e","","","0.71073","MoKα","","0.0622","0.0368","","","0.079","0.084","","","","","","0.881","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105892","6.5385","0.0003","11.894","0.0006","19.4196","0.0009","90","","90","","90","","1510.24","0.12","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","Jennifer A. Dabrowski; Fang Gao; Amir H. Hoveyda","Enantioselective Synthesis of Alkyne-Substituted Quaternary Carbon Stereogenic Centers through NHC-Cu-Catalyzed Allylic Substitution Reactions with (i-Bu)2(Alkynyl)aluminum Reagents","Journal of the American Chemical Society","2011","133","","4778","4781","10.1021/ja2010829","","","1.54178","CuKα","","0.0278","0.0271","","","0.0719","0.0726","","","","","","1.056","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105893","7.0396","0.0007","6.0088","0.0007","27.483","0.003","90","","91.773","0.006","90","","1162","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 Br O2 -","- C13 H11 Br O2 -","- C52 H44 Br4 O8 -","4","2","","Jennifer A. Dabrowski; Fang Gao; Amir H. Hoveyda","Enantioselective Synthesis of Alkyne-Substituted Quaternary Carbon Stereogenic Centers through NHC-Cu-Catalyzed Allylic Substitution Reactions with (i-Bu)2(Alkynyl)aluminum Reagents","Journal of the American Chemical Society","2011","133","","4778","4781","10.1021/ja2010829","","","0.71073","MoKα","","0.0669","0.045","","","0.0769","0.0823","","","","","","1.04","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105894","13.1544","0.0009","13.1544","0.0009","12.0402","0.0008","90","","90","","90","","2083.4","0.2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C12 H28 Cl2 Cu8 N48 O11 -","- C12 H8 Cl2 Cu8 N48 O11 -","- C24 H16 Cl4 Cu16 N96 O22 -","2","0.125","","Xian-Ming Zhang; Jin Lv; Fang Ji; Hai-Shun Wu; Haijun Jiao; Paul V. R. Schleyer","A Perfectly Square-Planar Tetracoordinated Oxygen in a Tetracopper Cluster-Based Coordination Polymer","Journal of the American Chemical Society","2011","133","","4788","4790","10.1021/ja201525a","","","0.71073","MoKα","","0.0663","0.0632","","","0.1727","0.1752","","","","","","1.115","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105895","10.4807","0.0005","10.5015","0.0005","11.4678","0.0005","64.937","0.002","66.519","0.002","79.936","0.002","1048.63","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Dy2 N8 O14 -","- C40 H46 Dy2 N8 O14 -","- C40 H46 Dy2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0155","0.0145","","","0.0354","0.0358","","","","","","1.072","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105896","10.5977","0.0005","10.642","0.0005","11.5192","0.0006","65.341","0.002","64.813","0.002","80.419","0.002","1068.32","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Eu2 N8 O14 -","- C40 H46 Eu2 N8 O14 -","- C40 H46 Eu2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0194","0.0181","","","0.044","0.0447","","","","","","1.058","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105897","10.5766","0.0005","10.5991","0.0005","11.5192","0.0005","65.184","0.001","65.482","0.001","80.293","0.001","1066.38","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Gd N4 O7 -","- C20 H23 Gd N4 O7 -","- C40 H46 Gd2 N8 O14 -","2","1","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.022","0.0215","","","0.0531","0.0534","","","","","","1.012","","","","has coordinates,has disorder","178804","2020-10-21","18:00:00",""
"4105898","10.533","0.0007","10.5394","0.0009","11.5002","0.0009","66.484","0.004","65.036","0.004","79.837","0.004","1061.21","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0198","0.0191","","","0.0503","0.0508","","","","","","1.037","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105899","10.5536","0.0003","10.5537","0.0003","11.4994","0.0003","66.171","0.001","65.016","0.001","80.009","0.001","1061.98","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N8 O14 Tb2 -","- C40 H46 N8 O14 Tb2 -","- C40 H46 N8 O14 Tb2 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0215","0.0206","","","0.0538","0.0542","","","","","","1.063","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105900","10.5104","0.0004","10.5297","0.0004","11.4828","0.0004","66.414","0.002","65.126","0.001","79.981","0.002","1056.59","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","- C40 H46 Ho2 N8 O14 -","1","0.5","","Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu","Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex","Journal of the American Chemical Society","2011","133","","5319","5328","10.1021/ja109706y","","","0.71073","MoKα","","0.0131","0.013","","","0.0346","0.0347","","","","","","1.057","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105901","11.2618","0.0004","16.3286","0.0005","30.5547","0.001","90","","100.351","0.002","90","","5527.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H42 Gd N7 O14 -","- C17 H29.5 Gd N7 O14 -","- C136 H236 Gd8 N56 O112 -","8","2","","Daniel J. Mastarone; Victoria S. R. Harrison; Amanda L. Eckermann; Giacomo Parigi; Claudio Luchinat; Thomas J. Meade","A Modular System for the Synthesis of Multiplexed Magnetic Resonance Probes","Journal of the American Chemical Society","2011","133","","5329","5337","10.1021/ja1099616","","","0.71073","MoKα","","0.0673","0.0616","","","0.1666","0.1684","","","","","","1.841","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105902","14.76","0.005","10.519","0.003","17.152","0.006","90","","97.265","0.005","90","","2641.6","1.5","107.1","","107.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F16 N4 O8 Ru2 -","- C54 H32 F16 N4 O8 Ru2 -","- C108 H64 F32 N8 O16 Ru4 -","2","0.5","","Hitoshi Miyasaka; Natsuko Motokawa; Tamiko Chiyo; Miho Takemura; Masahiro Yamashita; Hajime Sagayama; Taka-hisa Arima","Stepwise Neutral-Ionic Phase Transitions in a Covalently Bonded Donor/Acceptor Chain Compound","Journal of the American Chemical Society","2011","133","","5338","5345","10.1021/ja110007u","","","0.71075","MoKα","","","0.0527","","","","0.1195","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105903","14.803","0.002","21.2201","0.0004","20.4174","0.0009","121.201","0.002","96.222","0.01","90.121","0.004","5440.7","0.8","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H32 F16 N4 O8 Ru2 -","- C54 F16 N4 O8 Ru2 -","- C216 F64 N16 O32 Ru8 -","4","2","","Hitoshi Miyasaka; Natsuko Motokawa; Tamiko Chiyo; Miho Takemura; Masahiro Yamashita; Hajime Sagayama; Taka-hisa Arima","Stepwise Neutral-Ionic Phase Transitions in a Covalently Bonded Donor/Acceptor Chain Compound","Journal of the American Chemical Society","2011","133","","5338","5345","10.1021/ja110007u","","","0.6885","","","0.0663","0.0381","","","0.0943","0.1177","","","","","","0.87","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105904","10.3611","0.0011","11.5566","0.0013","13.457","0.002","96.926","0.006","106.836","0.006","116.529","0.004","1319.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H42 N2 Si2 Ti -","- C25 H42 N2 Si2 Ti -","- C50 H84 N4 Si4 Ti2 -","2","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.1002","0.0504","","","0.0956","0.1076","","","","","","0.989","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105905","10.4688","0.0003","12.266","0.0004","13.3377","0.0004","78.808","0.001","85.741","0.001","69.627","0.001","1574.99","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H50 N2 Si2 Zr -","- C31 H50 N2 Si2 Zr -","- C62 H100 N4 Si4 Zr2 -","2","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.0344","0.0278","","","0.0705","0.0731","","","","","","1.047","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105906","16.8952","0.0006","31.7271","0.0009","11.7933","0.0003","90","","90","","90","","6321.6","0.3","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H42 N2 Si2 Zr -","- C33 H42 N2 Si2 Zr -","- C264 H336 N16 Si16 Zr8 -","8","1","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.0484","0.0255","","","0.0506","0.0535","","","","","","0.825","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105907","8.104","0.0006","10.3858","0.0007","12.3515","0.0009","94.436","0.003","94.238","0.003","103.346","0.003","1003.96","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N4 Ti2 -","- C50 H48 N4 Ti2 -","- C50 H48 N4 Ti2 -","1","0.5","","Katharina Kaleta; Martin Ruhmann; Oliver Theilmann; Torsten Beweries; Subhendu Roy; Perdita Arndt; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Group 4 Metallocene Alkyne Complexes with Carbodiimides: Experimental and Theoretical Studies of the Structure and Bonding of Five-Membered Hetero-Metallacycloallenes","Journal of the American Chemical Society","2011","133","","5463","5473","10.1021/ja111479j","","","0.71073","MoKα","","0.1279","0.0536","","","0.1146","0.1328","","","","","","0.907","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105908","13.2972","0.0007","13.2921","0.0007","17.5488","0.0009","90","","102.863","0.003","90","","3023.9","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Hg-pyrenyl-phosphoramid-AuCl","toste29","","- C69 H56 Au Cl3 N O2 P -","- C69 H56 Au Cl3 N O2 P -","- C138 H112 Au2 Cl6 N2 O4 P2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.0437","0.0418","","","0.1263","0.128","","","","","","1.151","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105909","8.5886","0.0003","18.2238","0.0006","16.121","0.0005","90","","95.129","0.002","90","","2513.11","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","AG04-169","toste31","","- C68 H54 Au Cl N O2 P -","- C68 H54 Au Cl N O2 P -","- C136 H108 Au2 Cl2 N2 O4 P2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54184","CuKα","","0.0226","0.0216","","","0.052","0.0525","","","","","","1.019","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105910","8.3457","0.0005","20.6561","0.0012","44.304","0.002","90","","90","","90","","7637.5","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","AG05-28","toste32","","- C84 H57 Au Cl F12 N O2 P -","- C84 H57 Au Cl F12 N O2 P -","- C336 H228 Au4 Cl4 F48 N4 O8 P4 -","4","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.133","0.113","","","0.2939","0.3096","","","","","","1.078","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105911","10.4997","0.0008","8.3483","0.0006","11.8012","0.0007","90","","91.036","0.005","90","","1034.26","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","AG04-186H","toste30","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C44 H50 N2 O8 S2 -","2","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.0763","0.0624","","","0.1567","0.1679","","","","","","1.031","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105912","8.4998","0.0006","7.2826","0.0005","27.425","0.003","90","","90","","90","","1697.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H2 I2 K O9 V -","- H2 I2 K O9 V -","- H16 I16 K8 O72 V8 -","8","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.023","0.0217","","","0.0444","0.045","","","","","","1.205","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105913","5.8083","0.0014","8.793","0.002","16.785","0.004","90","","90","","90","","857.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H2 I2 K O9 V -","- H2 I2 K O9 V -","- H8 I8 K4 O36 V4 -","4","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0308","0.0302","","","0.0716","0.0723","","","","","","1.061","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105914","7.43","0.002","7.801","0.003","16.053","0.006","97.207","0.003","99.73","0.006","91.882","0.005","908.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- H7 I11 K4 O38 V2 -","- H7 I11 K4 O38 V2 -","- H7 I11 K4 O38 V2 -","1","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0309","0.0272","","","0.0532","0.0543","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105915","14.136","0.003","10.201","0.0017","8.0638","0.0011","90","","90","","90","","1162.8","0.4","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- I3 K O13 V2 -","- I3 K O13 V2 -","- I12 K4 O52 V8 -","4","0.5","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0456","0.0443","","","0.105","0.1057","","","","","","1.133","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105916","10.4988","0.0003","16.2306","0.0006","16.2841","0.0003","90","","90.008","0.002","90","","2774.84","0.14","100","2","100","2","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C51 H34 Br2 N2 O8 Si Zn2 -","- C51 H34 Br2 N2 O8 Si Zn2 -","- C51 H34 Br2 N2 O8 Si Zn2 -","1","0.25","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1241","0.0997","","","0.2622","0.2737","","","","","","1.798","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105917","11.106","0.002","15.916","0.002","16.224","0.003","90","","101.594","0.015","90","","2809.3","0.8","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C16.5 H10.5 Br0.5 N2 O3.5 Zn0.5 -","- C12 H6 Br0.5 N0.5 O2 Zn0.5 -","- C48 H24 Br2 N2 O8 Zn2 -","4","1","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1312","0.08","","","0.1897","0.2098","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105918","11.2539","0.0019","15.772","0.002","16.175","0.003","90","","98.771","0.014","90","","2837.4","0.8","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C48 H27 N2 O8 Zn2 -","- C48 H26 N2 O8 Zn2 -","- C48 H26 N2 O8 Zn2 -","1","0.25","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1142","0.0819","","","0.202","0.2178","","","","","","0.928","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105919","13.2256","0.0007","13.4893","0.0007","15.221","0.0008","90","","90","","90","","2715.5","0.2","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Bi N2 O2 -","- C28 H37 Bi N2 O2 -","- C112 H148 Bi4 N8 O8 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0152","0.0146","","","0.0356","0.0358","","","","","","1.026","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105920","53.677","0.003","10.8825","0.0006","39.936","0.003","90","","130.678","0.001","90","","17691.8","1.9","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H53 Bi N2 O2 -","- C36 H53 Bi N2 O2 -","- C720 H1060 Bi20 N40 O40 -","20","2.5","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0302","0.0226","","","0.0487","0.0507","","","","","","1.022","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105921","10.1403","0.0006","14.399","0.0008","18.6374","0.001","98.9882","0.0006","96.4784","0.0006","90.1828","0.0006","2670.1","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H40.5 Bi N2.5 O -","- C27 H40.5 Bi N2.5 O -","- C108 H162 Bi4 N10 O4 -","4","2","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0183","0.0165","","","0.0392","0.0399","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105922","18.0313","0.0014","10.084","0.0008","16.5021","0.0013","90","","90","","90","","3000.5","0.4","143","2","143","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H45 Bi N2 O -","- C32 H45 Bi N2 O -","- C128 H180 Bi4 N8 O4 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0263","0.0199","","","0.0441","0.046","","","","","","0.977","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105923","10.8059","0.0007","13.1895","0.0009","17.5277","0.0017","98.213","0.001","92.668","0.001","113.565","0.001","2251.5","0.3","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 B Bi N2 O -","- C50 H60 B Bi N2 O -","- C100 H120 B2 Bi2 N4 O2 -","2","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0271","0.0235","","","0.0581","0.0596","","","","","","1.051","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105924","11.3693","0.0007","29.7135","0.0019","13.0038","0.0008","90","","114.79","0.0007","90","","3988.2","0.4","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H65 Bi N2 O2 -","- C42 H65 Bi N2 O2 -","- C168 H260 Bi4 N8 O8 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0508","0.0373","","","0.0823","0.0855","","","","","","1.113","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105925","28.8523","0.0015","17.1852","0.0009","15.6207","0.0008","90","","90","","90","","7745.3","0.7","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42.24 H42.1 Cl2.14 Ir N2 O5.62 S -","- C42.24 H42.1 Cl2.14 Ir N2 O5.62 S -","- C337.92 H336.8 Cl17.12 Ir8 N16 O44.96 S8 -","8","1","","Amedeo Santoro; Anton M. Prokhorov; Valery N. Kozhevnikov; Adrian C. Whitwood; Bertrand Donnio; J. A. Gareth Williams; Duncan W. Bruce","Emissive Metallomesogens Based on 2-Phenylpyridine Complexes of Iridium(III)","Journal of the American Chemical Society","2011","133","","5248","5251","10.1021/ja201245s","","","0.71073","MoKα","","0.0487","0.0278","","","0.0649","0.0756","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105926","15.687","0.004","20.31","0.005","25.983","0.007","95.152","0.004","92.776","0.004","106.6","0.004","7877","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H47.5 K Mn N7 O4.5 -","- C26.25 H45.25 K Mn N7 O4.5 -","- C210 H362 K8 Mn8 N56 O36 -","8","4","","Ryan L. Shook; Sonja M. Peterson; John Greaves; Curtis Moore; Arnold L. Rheingold; A. S. Borovik","Catalytic Reduction of Dioxygen to Water with a Monomeric Manganese Complex at Room Temperature","Journal of the American Chemical Society","2011","133","","5810","5817","10.1021/ja106564a","","","0.71073","MoKα","","0.1318","0.0918","","","0.258","0.2771","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105927","4.752","0.0004","13.15","0.0004","15.353","0.0011","90","","90","","90","","959.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","apsph","","","- C10 H6 O S3 -","- C10 H6 O S3 -","- C40 H24 O4 S12 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","0.71073","MoKα","","0.0512","0.0402","","","0.089","0.0935","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105928","9.1363","0.0004","9.4337","0.0005","10.8331","0.0005","99.464","0.003","108.734","0.002","92.962","0.003","866.72","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O S3 -","- C18 H22 O S3 -","- C36 H44 O2 S6 -","2","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.0682","0.049","","","0.1217","0.1739","","","","","","1.209","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105929","10.1383","0.0018","6.9855","0.0013","17.52","0.003","90","","95.936","0.009","90","","1234.1","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O3 S3 -","- C12 H10 O3 S3 -","- C48 H40 O12 S12 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.1807","0.157","","","0.3872","0.3997","","","","","","1.421","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105930","12.4427","0.0006","9.9312","0.0005","7.3694","0.0004","90","","93.499","0.003","90","","908.95","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N O2 S2 -","- C10 H5 N O2 S2 -","- C40 H20 N4 O8 S8 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.0422","0.0325","","","0.085","0.0913","","","","","","1.064","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105931","4.0018","0.0003","12.8838","0.0009","18.0222","0.0014","90","","94.511","0.005","90","","926.32","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N O2 S2 -","- C10 H5 N O2 S2 -","- C40 H20 N4 O8 S8 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","1.54178","CuKα","","0.0482","0.0378","","","0.0963","0.1028","","","","","","1.041","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105932","7.3022","0.0002","7.6899","0.0002","21.1997","0.0007","84.205","0.001","89.146","0.002","85.231","0.002","1180.22","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br2 O2 -","- C12 H10 Br2 O2 -","- C48 H40 Br8 O8 -","4","2","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","0.71073","MoKα","","0.0645","0.0594","","","0.165","0.1733","","","","","","1.159","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105933","17.339","0.006","14.752","0.006","18.507","0.007","90","","90","","90","","4734","3","85","1","85","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Br4 N6 S0 Zn2 -","- C18 H12 Br4 N6 Zn2 -","- C144 H96 Br32 N48 Zn16 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.71073","MoKα","","0.034","0.022","","","0.0454","0.0483","","","","","","1.025","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105934","11.759","0.004","9.403","0.003","19.364","0.007","90","","100.515","0.004","90","","2105.1","1.2","85","1","85","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl4 N6 Zn2 -","- C18 H12 Cl4 N6 Zn2 -","- C72 H48 Cl16 N24 Zn8 -","4","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.71073","MoKα","","0.0922","0.0445","","","0.0716","0.0847","","","","","","0.985","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105935","49.62","0.0001","50.589","0.0006","6.059","0.0006","90","","90","","90","","15209.5","1.5","90","1","90","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C72 H54 Cl6 N18 O12 Zn3 -","- C72 H54 Cl6 N18 O12 Zn3 -","- C576 H432 Cl48 N144 O96 Zn24 -","8","0.5","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.88559","synchrotron","","0.0854","0.0792","","","0.2073","0.2152","","","","","","1.037","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105936","23.089","0.002","22.702","0.002","15.646","0.001","90","","90","","90","","8201.1","1.1","","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 Br6 N12 O Zn3 -","- C36 Br6 N12 Zn3 -","- C288 Br48 N96 Zn24 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","1.3","Synchrotron","","","0.0399","","","0.0539","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105937","12.5882","0.0009","29.285","0.002","6.5904","0.0004","90","","92.885","0.002","90","","2426.4","0.3","","","83","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 I7.58 N12 Zn3 -","- C36 I7.228 N12 Zn3 -","- C72 I14.456 N24 Zn6 -","2","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","0.9948","Synchrotron","","","0.0298","","","0.0399","","","","","","","","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105938","12.719","0.0005","29.6449","0.0011","6.51966","0.00023","90","","93.066","0.002","90","","2454.74","0.16","","","95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 I6 N12 Zn3 -","- C36 I6 N12 Zn3 -","- C72 I12 N24 Zn6 -","2","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","1","Synchrotron","","","0.0268","","","0.0354","","","","","","","","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105939","10.4199","0.0001","15.8525","0.0002","16.8803","0.0002","115.978","0.001","95.206","0.001","96.271","0.001","2461.44","0.05","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Chisholm 1772","","","- C94 H84 B2 F30 N2 O10 W2 -","- C94 H84 B2 F30 N2 O10 W2 -","- C94 H84 B2 F30 N2 O10 W2 -","1","0.5","","Philip Bunting; Malcolm H. Chisholm; Judith C. Gallucci; Benjamin J. Lear","Extent of M2δ to Ligand π-Conjugation in Neutral and Mixed Valence States of Bis(4-isonicotinate)-bis(2,4,6-triisopropylbenzoate) Dimetal Complexes (MM), Where M = Mo or W, and Their Adducts with Tris(pentafluorophenyl)boron","Journal of the American Chemical Society","2011","133","","5873","5881","10.1021/ja109522b","","x-ray","0.71073","MoKα","","0.0323","0.0261","","","0.0639","0.0658","","","","","","1.077","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105940","10.4023","0.0001","15.7963","0.0001","16.9541","0.0001","115.641","0.001","94.922","0.001","96.875","0.001","2463.82","0.04","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Chisholm 1774","","","- C94 H84 B2 F30 Mo2 N2 O10 -","- C94 H84 B2 F30 Mo2 N2 O10 -","- C94 H84 B2 F30 Mo2 N2 O10 -","1","0.5","","Philip Bunting; Malcolm H. Chisholm; Judith C. Gallucci; Benjamin J. Lear","Extent of M2δ to Ligand π-Conjugation in Neutral and Mixed Valence States of Bis(4-isonicotinate)-bis(2,4,6-triisopropylbenzoate) Dimetal Complexes (MM), Where M = Mo or W, and Their Adducts with Tris(pentafluorophenyl)boron","Journal of the American Chemical Society","2011","133","","5873","5881","10.1021/ja109522b","","x-ray","0.71073","MoKα","","0.0381","0.0316","","","0.0835","0.0865","","","","","","1.048","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105941","17.212","0.0007","21.4165","0.0009","17.7094","0.0007","90","","99.615","0.001","90","","6436.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 B2 F8 N4 Ni O2 P4 -","- C68 H80 B2 F8 N4 Ni O2 P4 -","- C272 H320 B8 F32 N16 Ni4 O8 P16 -","4","1","","Uriah J. Kilgore; John A. S. Roberts; Douglas H. Pool; Aaron M. Appel; Michael P. Stewart; M. Rakowski DuBois; William G. Dougherty; W. Scott Kassel; R. Morris Bullock; Daniel L. DuBois","[Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates","Journal of the American Chemical Society","2011","133","","5861","5872","10.1021/ja109755f","","","0.71073","MoKα","","0.0777","0.0458","","","0.1008","0.1138","","","","","","1.023","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105942","22.5412","0.0012","13.4356","0.0008","22.365","0.0012","90","","118.716","0.003","90","","5940.3","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H67 B2 F8 N5 Ni O4 P4 -","- C62 H67 B2 F8 N5 Ni O4 P4 -","- C248 H268 B8 F32 N20 Ni4 O16 P16 -","4","1","","Uriah J. Kilgore; John A. S. Roberts; Douglas H. Pool; Aaron M. Appel; Michael P. Stewart; M. Rakowski DuBois; William G. Dougherty; W. Scott Kassel; R. Morris Bullock; Daniel L. DuBois","[Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates","Journal of the American Chemical Society","2011","133","","5861","5872","10.1021/ja109755f","","","0.71073","MoKα","","0.2907","0.0828","","","0.1209","0.178","","","","","","0.897","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105943","9.8295","0.0011","13.9276","0.0016","24.821","0.003","101.216","0.006","91.136","0.007","105.998","0.007","3194.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H48 Si8 Sn -","- C16 H48 Si8 Sn -","- C64 H192 Si32 Sn4 -","4","2","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.1643","0.1184","","","0.2867","0.3048","","","","","","1.061","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105944","12.615","0.003","25.832","0.005","24.001","0.005","90","","94.39","0.03","90","","7798","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H106 K N O6 Si10 Sn -","- C48 H106 K N O6 Si10 Sn -","- C192 H424 K4 N4 O24 Si40 Sn4 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.2316","0.1566","","","0.3458","0.3889","","","","","","1.065","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105945","9.6511","0.0019","21.418","0.004","19.324","0.004","90","","103.84","0.03","90","","3878.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H63 P Si8 Sn -","- C22 H63 P Si8 Sn -","- C88 H252 P4 Si32 Sn4 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.124","0.1041","","","0.2573","0.2662","","","","","","1.179","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105946","21.316","0.004","25.165","0.005","19.732","0.004","90","","90","","90","","10585","4","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H48 B F15 Si8 Sn -","- C34 H48 B F15 Si8 Sn -","- C272 H384 B8 F120 Si64 Sn8 -","8","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller","A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation","Journal of the American Chemical Society","2011","133","","5632","5635","10.1021/ja1100883","","","0.71073","MoKα","","0.0947","0.0656","","","0.1124","0.1211","","","","","","1","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105947","10.5379","0.0004","8.3576","0.0003","13.139","0.0005","90","","109.878","0.004","90","","1088.23","0.08","294","2","294","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 Cl N2 O5 S -","- C22 H19 Cl N2 O5 S -","- C44 H38 Cl2 N4 O10 S2 -","2","1","","Yunfei Cai; Xiaohua Liu; Jun Jiang; Weiliang Chen; Lili Lin; Xiaoming Feng","Catalytic Asymmetric Chloroamination Reaction of α,β-Unsaturated γ-Keto Esters and Chalcones","Journal of the American Chemical Society","2011","133","","5636","5639","10.1021/ja110668c","","","0.7107","MoKα","","0.0492","0.0346","","","0.0744","0.0777","","","","","","0.936","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105948","12.1442","0.0008","12.6611","0.0009","25.0582","0.0017","90.556","0.001","102.357","0.001","116.994","0.001","3328.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 B N7 Ni S2 -","- C33 H34 B N7 Ni S2 -","- C132 H136 B4 N28 Ni4 S8 -","4","2","","Huaibo Ma; Jeffrey L. Petersen; Victor G. Young; Gordon T. Yee; Michael P. Jensen","Solid-State Spin Crossover of Ni(II) in a Bioinspired N3S2 Ligand Field","Journal of the American Chemical Society","2011","133","","5644","5647","10.1021/ja110890v","","","0.71073","MoKα","","0.0632","0.05","","","0.1373","0.1496","","","","","","1.029","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105949","12.004","0.0012","12.5359","0.0012","24.678","0.002","91.034","0.001","101.353","0.001","116.788","0.001","3225.9","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","mj23ccd","","","- C33 H34 B N7 Ni S2 -","- C33 H34 B N7 Ni S2 -","- C132 H136 B4 N28 Ni4 S8 -","4","2","","Huaibo Ma; Jeffrey L. Petersen; Victor G. Young; Gordon T. Yee; Michael P. Jensen","Solid-State Spin Crossover of Ni(II) in a Bioinspired N3S2 Ligand Field","Journal of the American Chemical Society","2011","133","","5644","5647","10.1021/ja110890v","","","0.71073","MoKα","","0.0525","0.0373","","","0.0849","0.0934","","","","","","1.04","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105950","8.4958","0.0016","23.176","0.004","13.392","0.002","90","","90.987","0.004","90","","2636.5","0.8","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O15 -","- C31 H28 O11 -","- C124 H112 O44 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.1389","0.0529","","","0.0766","0.0928","","","","","","0.808","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105951","7.706","0.0015","9.397","0.0019","12.156","0.002","80.64","0.03","78.7","0.03","71.62","0.03","814.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C40 H32 O14 -","2","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0691","0.0511","","","0.1517","0.1688","","","","","","1.008","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105952","4.9131","0.0011","8.5738","0.0019","24.007","0.005","90","","90","","90","","1011.3","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0502","0.0471","","","0.1205","0.1229","","","","","","1.096","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105953","8.562","0.0017","12.833","0.003","22.116","0.004","90","","90","","90","","2430","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O3 -","- C28 H35 N O3 -","- C112 H140 N4 O12 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0934","0.0592","","","0.1392","0.1607","","","","","","1.013","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105954","7.4805","0.0002","24.5401","0.0007","12.4338","0.0003","90","","97.302","0.002","90","","2263.99","0.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 O8 -","- C30 H20 O8 -","- C120 H80 O32 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","","0.0612","","","0.153","0.1859","","","","","","1.019","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105955","16.5843","0.0006","16.599","0.0008","22.2252","0.0012","90","","90","","90","","6118.2","0.5","100","2","100","2","","","","","","","","7","P m m m","-P 2 2","47","","","","- C192 H278 Al F10 N44 O42 Zn3 -","- C90 H40 Al F10 N10 O10 Zn3 -","- C90 H40 Al F10 N10 O10 Zn3 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.091","0.0713","","","0.18","0.1898","","","","","","0.942","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105956","16.614","0.003","16.64","0.003","22.194","0.005","90","","90","","90","","6136","2","100","2","100","2","","","","","","","","8","P m m m","-P 2 2","47","","","","- C198 H292 Cl F10 Fe N46 O54 Zn3 -","- C90 H40 Cl F10 Fe N10 O8 Zn3 -","- C90 H40 Cl F10 Fe N10 O8 Zn3 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.1321","0.0856","","","0.2066","0.2249","","","","","","0.852","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105957","16.5671","0.0005","16.5864","0.0005","22.1775","0.001","90","","90","","90","","6094.1","0.4","100","2","100","2","","","","","","","","8","P m m m","-P 2 2","47","","","","- C183 H249 F10 Mn N41 O39 Pd Zn2 -","- C90 H32 F10 Mn N10 O8 Pd Zn2 -","- C90 H32 F10 Mn N10 O8 Pd Zn2 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.0865","0.0622","","","0.1554","0.1647","","","","","","0.912","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105958","16.6121","0.001","16.6202","0.0009","22.1631","0.0019","90","","90","","90","","6119.2","0.7","100","2","100","2","","","","","","","","7","P m m m","-P 2 2","47","","","","- C186 H264 F10 Mn N42 O41 Zn3 -","- C90 H40 F10 Mn N10 O9 Zn3 -","- C90 H40 F10 Mn N10 O9 Zn3 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.1077","0.0806","","","0.196","0.21","","","","","","0.919","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105959","16.598","0.002","16.643","0.002","22.494","0.003","90","","90","","90","","6213.8","1.3","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C174 H236 F10 N38 O37 Zn4 -","- C90 H40 F10 N10 O9 Zn4 -","- C90 H40 F10 N10 O9 Zn4 -","1","0.125","","Omar K. Farha; Abraham M. Shultz; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Active-Site-Accessible, Porphyrinic Metal-Organic Framework Materials","Journal of the American Chemical Society","2011","133","","5652","5655","10.1021/ja111042f","","","1.54178","CuKα","","0.1504","0.1218","","","0.3041","0.3289","","","","","","1.182","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105960","5.0852","0.0006","5.5751","0.0007","17.793","0.003","96.981","0.006","93.8853","0.0015","99.0089","0.0014","492.58","0.12","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","- C20 H24 Br N O3 -","1","1","","Tomonori Misaki; Kei Kawano; Takashi Sugimura","Highly Z-Selective Asymmetric 1,4-Addition Reaction of 5H-Oxazol-4-ones with Alkynyl Carbonyl Compounds Catalyzed by Chiral Guanidines","Journal of the American Chemical Society","2011","133","","5695","5697","10.1021/ja200283n","","","0.71069","MoKα","","","0.0603","","","","0.0589","","","","","","1.11","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105961","16.23481","0.00016","16.23481","0.00016","4.083","0.00005","90","","90","","90","","1076.15","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.13003","","1.52","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105962","16.1602","0.0002","16.1602","0.0002","4.01327","0.00006","90","","90","","90","","1048.07","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.09795","","1.7","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105963","16.03132","0.0002","16.03132","","3.89682","0.00007","90","","90","","90","","1001.5","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.10651","","1.68","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105964","15.93675","0.00016","15.93675","","3.81437","0.00005","90","","90","","90","","968.774","0.016","293","2","293","3","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.10626","","1.39","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105965","15.86977","0.00016","15.86977","0.00016","3.74821","0.00005","90","","90","","90","","943.985","0.018","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.06544","","1.29","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105966","15.81103","0.00017","15.81103","0.00017","3.69185","0.00006","90","","90","","90","","922.92","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.08272","","1.45","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105967","15.76088","0.00015","15.76088","0.00015","3.6336","0.00006","90","","90","","90","","902.606","0.019","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.1409","","1.34","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105968","15.67329","0.00019","15.67329","0.00019","3.52999","0.00006","90","","90","","90","","867.15","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","synchrotron","","","","","","","","0.22912","","1.47","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105969","15.63466","0.00014","15.63466","0.00014","3.48795","0.00006","90","","90","","90","","852.604","0.018","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.61795","","","","","","","","","0.27224","","1.27","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105970","15.96595","0.00027","15.96595","0.00027","3.85717","0.00008","90","","90","","90","","983.24","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.12483","","5.44","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105971","15.7209","0.00024","15.7209","0.0024","3.5586","0.00007","90","","90","","90","","879.5","0.14","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.06112","","5.04","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105972","15.63059","0.00027","15.63059","0.00027","3.57744","0.00008","90","","90","","90","","874.02","0.03","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.11333","","5.85","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105973","15.61515","0.00021","15.61515","0.00021","3.50758","0.00006","90","","90","","90","","855.26","0.02","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","ClBPSSEt","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","1.98048","","3.88","","","","","","","has coordinates,has Fobs","178805","2020-10-21","18:00:00",""
"4105974","16.3109","0.0014","16.3109","0.0014","4.1753","0.0007","90","","90","","90","","1110.8","0.2","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","BrBPSSEt","","","- C7 H5 Br N3 Se4 -","- C7 H5 Br N3 Se4 -","- C28 H20 Br4 N12 Se16 -","4","0.5","","Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley","From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure","Journal of the American Chemical Society","2011","133","","6051","6060","10.1021/ja200391j","","","0.71073","MoKα","","0.0463","0.0307","","","0.0504","0.0542","","","","","","1.103","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105975","14.6229","0.0012","14.6619","0.0012","25.248","0.002","90","","91.043","0.002","90","","5412.3","0.8","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[PPh4][VO(OMe)(PS3"")]","","","- C52 H59 O2 P2 S3 Si3 V -","- C52 H59 O2 P2 S3 Si3 V -","- C208 H236 O8 P8 S12 Si12 V4 -","4","1","","Ya-Ho Chang; Chia-Ling Su; Ru-Rong Wu; Ju-Hsiou Liao; Yi-Hung Liu; Hua-Fen Hsu","An Eight-Coordinate Vanadium Thiolate Complex with Charge Delocalization between V(V)-Thiolate and V(IV)-Thiyl Radical Forms","Journal of the American Chemical Society","2011","133","","5708","5711","10.1021/ja2004208","","","0.71073","MoKα","","0.0901","0.0469","","","0.1005","0.1178","","","","","","0.976","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105976","25.0966","0.0004","24.0932","0.0004","25.0397","0.0003","90","","101.965","0.001","90","","14811.5","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[NEt4][V(PS3"")2]","","","- C62 H92 N P2 S6 Si6 V -","- C62 H92 N P2 S6 Si6 V -","- C496 H736 N8 P16 S48 Si48 V8 -","8","2","","Ya-Ho Chang; Chia-Ling Su; Ru-Rong Wu; Ju-Hsiou Liao; Yi-Hung Liu; Hua-Fen Hsu","An Eight-Coordinate Vanadium Thiolate Complex with Charge Delocalization between V(V)-Thiolate and V(IV)-Thiyl Radical Forms","Journal of the American Chemical Society","2011","133","","5708","5711","10.1021/ja2004208","","","0.71073","MoKα","","0.1248","0.055","","","0.12","0.1517","","","","","","1.036","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105977","12.504","0.002","21.79","0.004","18.052","0.003","90","","106.302","0.002","90","","4720.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cp'TmMe2]3","","","- C42 H81 Si3 Tm3 -","- C42 H81 Si3 Tm3 -","- C168 H324 Si12 Tm12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0605","0.0341","","","0.0617","0.0667","","","","","","0.807","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105978","9.1108","0.0007","18.1931","0.0014","29.074","0.002","90","","90","","90","","4819.1","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Cp'LuMe2]3","","","- C42 H81 Lu3 Si3 -","- C42 H81 Lu3 Si3 -","- C168 H324 Lu12 Si12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0266","0.0242","","","0.0489","0.0495","","","","","","0.971","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105979","15.0165","0.0018","14.5158","0.0018","22.019","0.003","90","","92.711","0.002","90","","4794.3","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cp'3Tm3CH2Me4]","","","- C41 H77 Si3 Tm3 -","- C41 H77 Si3 Tm3 -","- C164 H308 Si12 Tm12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0549","0.0286","","","0.0507","0.0558","","","","","","0.874","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105980","12.3134","0.0014","23.365","0.003","13.4173","0.0016","90","","115.752","0.001","90","","3476.8","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H104 Si4 Tm4 -","- C64 H104 Si4 Tm4 -","- C128 H208 Si8 Tm8 -","2","0.5","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0406","0.0295","","","0.0623","0.065","","","","","","0.997","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105981","12.3484","0.0013","23.487","0.003","13.463","0.0014","90","","115.768","0.002","90","","3516.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H104 Lu4 Si4 -","- C64 H104 Lu4 Si4 -","- C128 H208 Lu8 Si8 -","2","0.5","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0791","0.0639","","","0.1498","0.1561","","","","","","1.175","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105982","21.091","0.003","13.0175","0.0017","19.404","0.003","90","","91.046","0.002","90","","5326.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H83 O Si3 Tm3 -","- C53 H83 O Si3 Tm3 -","- C212 H332 O4 Si12 Tm12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0439","0.034","","","0.0722","0.0756","","","","","","0.985","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105983","13.4946","0.0018","13.4946","0.0018","14.912","0.002","90","","90","","120","","2351.7","0.5","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 La2 N6 O33 -","- C24 H30 Cu3 La2 N6 O33 -","- C48 H60 Cu6 La4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0404","","","","0.1331","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105984","13.4567","0.0016","13.4567","0.0016","14.6982","0.0019","90","","90","","120","","2305","0.5","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 N6 Nd2 O33 -","- C24 H30 Cu3 N6 Nd2 O33 -","- C48 H60 Cu6 N12 Nd4 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0375","","","","0.1122","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105985","13.4105","0.0013","13.4105","0.0013","14.5808","0.0015","90","","90","","120","","2270.9","0.4","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 N6 O33 Sm2 -","- C24 H30 Cu3 N6 O33 Sm2 -","- C48 H60 Cu6 N12 O66 Sm4 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0356","","","","0.1152","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105986","13.4147","0.001","13.4147","0.001","14.4622","0.0012","90","","90","","120","","2253.9","0.3","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Gd2 N6 O33 -","- C24 H30 Cu3 Gd2 N6 O33 -","- C48 H60 Cu6 Gd4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0371","","","","0.0826","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105987","13.388","0.002","13.388","0.002","14.306","0.002","90","","90","","120","","2220.7","0.6","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Ho2 N6 O33 -","- C24 H30 Cu3 Ho2 N6 O33 -","- C48 H60 Cu6 Ho4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0383","","","","0.0956","","","","","","1.189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105988","13.3473","0.0008","13.3473","0.0008","14.2599","0.0008","90","","90","","120","","2200.1","0.2","273.1","","273","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H48 Cu3 Er2 N6 O33 -","- C24 H30 Cu3 Er2 N6 O33 -","- C48 H60 Cu6 Er4 N12 O66 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0241","","","","0.0723","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105989","13.374","0.0006","13.374","0.0006","14.9482","0.0008","90","","90","","120","","2315.49","0.19","113.1","","113","","","","100","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C24 H30 Cu3 La2 N6 O24 -","- C24 H30 Cu3 La2 N6 O24 -","- C48 H60 Cu6 La4 N12 O48 -","2","0.166667","","Biao Zhou; Akiko Kobayashi; Heng-Bo Cui; La-Sheng Long; Hiroki Fujimori; Hayao Kobayashi","Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals","Journal of the American Chemical Society","2011","133","","5736","5739","10.1021/ja200978u","","","0.7107","MoKα","","","0.0294","","","","0.0826","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105990","8.6793","0.0005","10.6231","0.0006","15.093","0.0009","90","","90","","90","","1391.59","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 B N O P -","- C13 H21 B N O P -","- C52 H84 B4 N4 O4 P4 -","4","1","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0376","0.0332","","","0.0892","0.0918","","","","","","1.073","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105991","12.7622","0.0004","12.7622","0.0004","33.2409","0.001","90","","90","","120","","4688.7","0.3","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C14 H25 B N O P -","- C14 H25 B N O P -","- C168 H300 B12 N12 O12 P12 -","12","2","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0564","0.0455","","","0.1077","0.114","","","","","","1.041","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105992","9.8349","0.0006","13.008","0.0008","14.6147","0.0011","90","","90","","90","","1869.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B N O P -","- C19 H27 B N O P -","- C76 H108 B4 N4 O4 P4 -","4","1","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0424","0.0372","","","0.0945","0.0979","","","","","","1.107","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105993","7.5821","0.0007","10.1241","0.0009","23.702","0.002","90","","90","","90","","1819.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 B10 O -","- C12 H24 B10 O -","- C48 H96 B40 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.0769","0.0527","","","0.1332","0.1507","","","","","","1.057","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105994","7.1977","0.0004","9.1857","0.0005","22.8755","0.0012","90","","90","","90","","1512.43","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 B10 I O -","- C6 H19 B10 I O -","- C24 H76 B40 I4 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.0173","0.0171","","","0.0452","0.0453","","","","","","1.141","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105995","28.0596","0.0019","7.3777","0.0005","17.1759","0.0012","90","","112.127","0.001","90","","3293.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 B10 O2 -","- C10 H24 B10 O2 -","- C80 H192 B80 O16 -","8","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.13","0.0775","","","0.2117","0.2584","","","","","","1.053","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105996","5.8949","0.0001","12.0754","0.0002","22.2647","0.0004","90","","90","","90","","1584.87","0.05","180","2","180","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","RajanBabu 1584","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Daniel J. Mans; G. Adam Cox; T. V. RajanBabu","Ethylene in Organic Synthesis. Repetitive Hydrovinylation of Alkenes for Highly Enantioselective Syntheses of Pseudopterosins","Journal of the American Chemical Society","2011","133","","5776","5779","10.1021/ja201321v","","x-ray","0.71073","MoKα","","0.0497","0.0376","","","0.0915","0.0982","","","","","","1.028","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105997","10.889","0.001","11.824","0.002","12.4298","0.0013","100.506","0.006","113.485","0.004","107.899","0.006","1308.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H84 Li4 N6 O2 Ti2 -","- C52 H84 Li4 N6 O2 Ti2 -","- C52 H84 Li4 N6 O2 Ti2 -","1","0.5","","Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki","Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes","Journal of the American Chemical Society","2011","133","","5780","5783","10.1021/ja2014218","","","0.71073","MoKα","","0.0449","0.036","","","0.0863","0.0913","","","","","","1.029","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105998","18.371","0.0013","10.5472","0.0007","32.222","0.002","90","","100.328","0.003","90","","6142.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C61 H101 Sn4 Ti2 -","- C61 H101 Sn4 Ti2 -","- C244 H404 Sn16 Ti8 -","4","1","","Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki","Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes","Journal of the American Chemical Society","2011","133","","5780","5783","10.1021/ja2014218","","","0.71073","MoKα","","0.0266","0.023","","","0.0531","0.0546","","","","","","1.073","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105999","14.1403","0.0014","15.4363","0.0015","18.3855","0.0019","107.964","0.004","107.45","0.004","91.856","0.004","3607.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H49 Cl2 F6 P Sn2 Ti -","- C30 H49 Cl2 F6 P Sn2 Ti -","- C120 H196 Cl8 F24 P4 Sn8 Ti4 -","4","2","","Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki","Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes","Journal of the American Chemical Society","2011","133","","5780","5783","10.1021/ja2014218","","","0.71073","MoKα","","0.0213","0.0189","","","0.0475","0.0494","","","","","","1.049","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106000","14.9622","0.0017","11.727","0.0013","15.0608","0.0017","90","","109.114","0.001","90","","2496.9","0.5","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-Bis[Bis(di-tert-butylmethylsilyl)silylene]cyclohexa-1,4-diene","","- C42 H88 Si6 -","- C42 H88 Si6 -","- C84 H176 Si12 -","2","0.5","","Takeshi Nozawa; Michiyo Nagata; Masaaki Ichinohe; Akira Sekiguchi","Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)","Journal of the American Chemical Society","2011","133","","5773","5775","10.1021/ja2014746","","","0.71073","MoKα","","0.0449","0.042","","","0.1131","0.116","","","","","","1.049","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106001","26.201","0.0011","12.156","0.0006","15.404","0.002","90","","90","","90","","4906.2","0.7","150","0.1","150","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,3-Bis[2,2-di-tert-butyl-1-(di-tert-butylmethylsilyl)- 2-methyldisilanyl]benzene-1',1''-diyl","","- C42 H88 Si6 -","- C42 H88 Si6 -","- C168 H352 Si24 -","4","0.5","","Takeshi Nozawa; Michiyo Nagata; Masaaki Ichinohe; Akira Sekiguchi","Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)","Journal of the American Chemical Society","2011","133","","5773","5775","10.1021/ja2014746","","","0.7107","MoKα","","0.1035","0.0621","","","0.1492","0.1685","","","","","","1.034","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106002","7.12514","0.00013","8.22811","0.00015","30.7815","0.0006","90","","90","","90","","1804.61","0.06","118.1","","118.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 O9 -","- C16 H19 N3 O9 -","- C64 H76 N12 O36 -","4","1","","Yingjie Xu; Luqing Lin; Motomu Kanai; Shigeki Matsunaga; Masakatsu Shibasaki","Catalytic Asymmetric Ring-Opening of meso-Aziridines with Malonates under Heterodinuclear Rare Earth Metal Schiff Base Catalysis","Journal of the American Chemical Society","2011","133","","5791","5793","10.1021/ja201492x","","","1.54187","CuKα","","","0.0409","","","","0.1293","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106003","7.9092","0.0015","25.245","0.005","9.7786","0.0014","90","","116.117","0.011","90","","1753.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Vikram Bhat; Kevin M. Allan; Viresh H. Rawal","Total Synthesis of N-Methylwelwitindolinone D Isonitrile","Journal of the American Chemical Society","2011","133","","5798","5801","10.1021/ja201834u","","","0.71073","MoKα","","0.0724","0.0481","","","0.1138","0.1213","","","","","","0.95","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106004","6.6766","0.0004","12.9963","0.0005","12.3595","0.0009","90","","90.087","0.006","90","","1072.45","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 F5 O3 -","- C8 H11 F5 O3 -","- C32 H44 F20 O12 -","4","1","","Changho Han; Eun Hoo Kim; David A. Colby","Cleavage of Carbon-Carbon Bonds through the Mild Release of Trifluoroacetate: Generation of α,α-Difluoroenolates for Aldol Reactions","Journal of the American Chemical Society","2011","133","","5802","5805","10.1021/ja202213f","","","1.54184","CU-Kα","","0.061","0.05","","","0.138","0.158","","","","","","1.168","","","","has coordinates","288189","2023-12-08","15:49:02",""
"4106005","17.1625","0.0019","17.1625","0.0019","17.1625","0.0019","90","","90","","90","","5055.2","1","292","2","292","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C72 H72 N6 O22 Zn4 -","- C72 H72 N6 O22 Zn4 -","- C72 H72 N6 O22 Zn4 -","1","0.0416667","","David J. Lun; Geoffrey I. N. Waterhouse; Shane G. Telfer","A General Thermolabile Protecting Group Strategy for Organocatalytic Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","5806","5809","10.1021/ja202223d","","","1.54178","CuKα","","0.132","0.1179","","","0.3104","0.348","","","","","","1.346","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106006","17.16","0.003","17.16","0.003","17.16","0.003","90","","90","","90","","5053","1.5","292","2","292","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C57 H48 N6 O16 Zn4 -","- C57 H48 N6 O16 Zn4 -","- C57 H48 N6 O16 Zn4 -","1","0.0416667","","David J. Lun; Geoffrey I. N. Waterhouse; Shane G. Telfer","A General Thermolabile Protecting Group Strategy for Organocatalytic Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","5806","5809","10.1021/ja202223d","","","1.54178","CuKα","","0.1317","0.1286","","","0.32","0.324","","","","","","1.499","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106007","11.234","0.003","18.92","0.006","12.151","0.004","90","","109.295","0.005","90","","2437.6","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 Cu N3 O -","- C24 H23 Cl2 Cu N3 O -","- C96 H92 Cl8 Cu4 N12 O4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0575","0.0312","","","0.0719","0.0774","","","","","","1.002","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106008","8.814","0.002","11.758","0.002","13.14","0.003","99.094","0.004","101.834","0.004","109.287","0.004","1219.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 Cl8 Cu2 N6 O2 -","- C38 H58 Cl8 Cu2 N6 O2 -","- C38 H58 Cl8 Cu2 N6 O2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0702","0.039","","","0.0731","0.0782","","","","","","1.005","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106009","16.047","0.001","10.655","0.001","28.388","0.002","90","","106.313","0.001","90","","4658.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl2 Cu N3 O -","- C20 H31 Cl2 Cu N3 O -","- C160 H248 Cl16 Cu8 N24 O8 -","8","2","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0814","0.046","","","0.1104","0.1268","","","","","","1.016","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106010","8.082","0.001","12.312","0.001","21.242","0.002","90","","98.477","0.003","90","","2090.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl2 Cu N3 O S -","- C19 H21 Cl2 Cu N3 O S -","- C76 H84 Cl8 Cu4 N12 O4 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0755","0.038","","","0.0615","0.0665","","","","","","1.008","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106011","8.576","0.001","10.448","0.002","11.856","0.002","93.069","0.003","109.67","0.002","110.08","0.002","922.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H38 Cl4 Cu2 N6 O2 S2 -","- C28 H38 Cl4 Cu2 N6 O2 S2 -","- C28 H38 Cl4 Cu2 N6 O2 S2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0545","0.0357","","","0.0787","0.0843","","","","","","1.003","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106012","9.371","0.003","10.681","0.004","12.106","0.004","100.153","0.006","108.798","0.006","109.823","0.006","1022.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H50 Cl4 Cu2 N6 O3 S2 -","- C33 H50 Cl4 Cu2 N6 O3 S2 -","- C33 H50 Cl4 Cu2 N6 O3 S2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.062","0.0402","","","0.0918","0.1023","","","","","","1.018","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106013","9.304","0.006","11.801","0.008","12.441","0.009","73.951","0.009","74.725","0.009","68.733","0.009","1202.9","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H62 Cl4 Cu2 N6 O2 S2 -","- C40 H62 Cl4 Cu2 N6 O2 S2 -","- C40 H62 Cl4 Cu2 N6 O2 S2 -","1","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.2196","0.0679","","","0.0795","0.0948","","","","","","1.007","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106014","8.685","0.003","15.198","0.006","15.769","0.006","90","","93.87","0.01","90","","2076.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl4 Cu2 N8 -","- C14 H16 Cl4 Cu2 N8 -","- C56 H64 Cl16 Cu8 N32 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1106","0.0381","","","0.0503","0.0572","","","","","","0.876","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106015","9.337","0.003","9.811","0.003","13.137","0.004","84.748","0.006","74.118","0.005","85.003","0.006","1150.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 Cl2 Cu N4 -","- C19 H32 Cl2 Cu N4 -","- C38 H64 Cl4 Cu2 N8 -","2","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1436","0.0521","","","0.0514","0.059","","","","","","0.918","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106016","8.483","0.001","20.248","0.003","11.613","0.002","90","","105.14","0.004","90","","1925.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl4 Cu2 N8 S2 -","- C38 H32 Cl4 Cu2 N8 S2 -","- C76 H64 Cl8 Cu4 N16 S4 -","2","0.5","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1375","0.0459","","","0.0604","0.0713","","","","","","0.71","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106017","8.99","0.004","17.036","0.007","17.751","0.008","107.32","0.007","93.791","0.007","98.286","0.007","2551.1","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50.5 Cl4 Cu2 N8 O1.25 S2 -","- C46 H48 Cl4 Cu2 N8 O1.246 S2 -","- C92 H96 Cl8 Cu4 N16 O2.492 S4 -","2","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1845","0.1056","","","0.2762","0.3319","","","","","","1.001","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106018","13.002","0.001","16.61","0.002","15.314","0.001","90","","106.683","0.005","90","","3168.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl2 Cu N4 S -","- C31 H40 Cl2 Cu N4 S -","- C124 H160 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0777","0.0324","","","0.0543","0.0613","","","","","","1.004","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106019","7.263","0.001","15.448","0.002","18.549","0.002","90","","90","","90","","2081.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 Cu N4 S -","- C18 H22 Cl2 Cu N4 S -","- C72 H88 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0485","0.0336","","","0.0755","0.0821","","","","","","1.034","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106020","10.011","0.001","17.382","0.002","17.323","0.002","90","","90.74","0.002","90","","3014.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl2 Cu N4 S -","- C26 H38 Cl2 Cu N4 S -","- C104 H152 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.1099","0.0429","","","0.0646","0.0705","","","","","","1.009","","","","has coordinates,has disorder","219282","2020-10-21","18:00:00",""
"4106021","10.717","0.002","12.806","0.003","13.365","0.003","62.799","0.005","89.557","0.005","89.749","0.006","1631.3","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Al Cl5 Mg O6 -","- C24 H48 Al Cl5 Mg O6 -","- C48 H96 Al2 Cl10 Mg2 O12 -","2","1","","Nir Pour; Yossi Gofer; Dan T. Major; Doron Aurbach","Structural Analysis of Electrolyte Solutions for Rechargeable Mg Batteries by Stereoscopic Means and DFT Calculations","Journal of the American Chemical Society","2011","133","","6270","6278","10.1021/ja1098512","","","0.71073","MoKα","","0.1383","0.1281","","","0.3346","0.3376","","","","","","1.089","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106022","16.5236","0.0009","16.3584","0.001","39.2632","0.0019","90","","111.126","0.002","90","","9899.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Al Cl3 Mg2 O6 -","- C48 H68 Al Cl3 Mg2 O6 -","- C384 H544 Al8 Cl24 Mg16 O48 -","8","2","","Nir Pour; Yossi Gofer; Dan T. Major; Doron Aurbach","Structural Analysis of Electrolyte Solutions for Rechargeable Mg Batteries by Stereoscopic Means and DFT Calculations","Journal of the American Chemical Society","2011","133","","6270","6278","10.1021/ja1098512","","","0.71073","MoKα","","0.1164","0.0855","","","0.2093","0.2259","","","","","","1.069","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106023","25.283","0.002","15.3956","0.0012","20.7739","0.0017","90","","94.899","0.004","90","","8056.6","1.1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sm@C2(40)-C90.Ni(OEP).2chlorobenzene","","","- C138 H54 Cl2 N4 Ni Sm -","- C138.68 H54 Cl2 N4 Ni Sm -","- C554.72 H216 Cl8 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.7749","synchrotron","","0.0678","0.066","","","0.1809","0.1824","","","","","","1.037","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106024","25.274","0.007","15.378","0.004","20.749","0.006","90","","94.921","0.003","90","","8035","4","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C2(42)-C90.Ni(OEP).2toluene","","","- C140 H60 N4 Ni Sm -","- C142 H60 N4 Ni Sm0.9998 -","- C568 H240 N16 Ni4 Sm3.9992 -","4","0.5","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.6889","synchrotron","","0.0713","0.0671","","","0.1822","0.1868","","","","","","1.061","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106025","25.5939","0.0013","15.2087","0.0006","41.538","0.002","90","","95.15","0.003","90","","16103.4","1.3","90","2","90","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Sm@C90(90:46)NiOEP.2toluene","","","- C140 H60 N4 Ni Sm -","- C140 H60 N4 Ni Sm -","- C1120 H480 N32 Ni8 Sm8 -","8","1","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.71073","MoKα","","0.0914","0.0775","","","0.2176","0.2336","","","","","","1.065","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106026","25.5046","0.0007","15.3357","0.0004","20.6732","0.0006","90","","95.399","0.002","90","","8050.1","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C90(C2:45)^.^Ni(OEP)^.^2toluene","","","- C140 H60 N4 Ni Sm -","- C140.5 H60 N4 Ni Sm0.9988 -","- C562 H240 N16 Ni4 Sm3.9952 -","4","0.5","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.71073","MoKα","","0.0673","0.0526","","","0.1375","0.152","","","","","","1.024","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106027","8.2094","0.001","28.466","0.003","8.8206","0.001","90","","109.406","0.002","90","","1944.2","0.4","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojh02","","","- C21 H28 O7 -","- C21 H28 O7 -","- C84 H112 O28 -","4","1","","Jie Huang; David Leboeuf; Alison J. Frontier","Understanding the Fate of the Oxyallyl Cation following Nazarov Electrocyclization: Sequential Wagner-Meerwein Migrations and the Synthesis of Spirocyclic Cyclopentenones","Journal of the American Chemical Society","2011","133","","6307","6317","10.1021/ja111504w","","","0.71073","MoKα","","0.0616","0.0454","","","0.1135","0.1227","","","","","","1.016","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106028","13.0353","0.0009","16.0013","0.0007","16.8519","0.0011","90","","92.304","0.005","90","","3512.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 N3 O2 Si6 Yb -","- C20 H58 N3 O2 Si6 Yb -","- C80 H232 N12 O8 Si24 Yb4 -","4","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0849","0.0612","","","0.0859","0.0906","","","","","","1.228","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106029","15.8846","0.0003","15.8846","0.0003","8.6025","0.0004","90","","90","","120","","1879.78","0.1","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H60 Al3 O3 Sc -","- C24 H60 Al3 O3 Sc -","- C48 H120 Al6 O6 Sc2 -","2","0.333333","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.031","0.0296","","","0.088","0.0886","","","","","","1.11","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106030","16.121","0.0004","16.121","0.0004","8.6164","0.0005","90","","90","","120","","1939.28","0.13","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H60 Al3 Nd O3 -","- C24 H60 Al3 Nd O3 -","- C48 H120 Al6 Nd2 O6 -","2","0.333333","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.016","0.0153","","","0.0417","0.0419","","","","","","1.137","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106031","17.8247","0.0013","18.2909","0.0012","13.7888","0.001","90","","108.531","0.006","90","","4262.5","0.5","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Al3 Ce -","- C12 H36 Al3 Ce -","- C96 H288 Al24 Ce8 -","8","2","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","x-ray","0.56085","AgKα","","0.0806","0.0472","","","0.0838","0.0952","","","","","","1.064","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106032","10.8897","0.0013","15.7289","0.0019","12.505","0.002","90","","102.124","0.002","90","","2094.1","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Al3 Tm -","- C12 H36 Al3 Tm -","- C48 H144 Al12 Tm4 -","4","0.5","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0111","0.0108","","","0.0273","0.0275","","","","","","1.116","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106033","7.386","0.0013","17.683","0.006","32.23","0.011","90","","92.52","0.02","90","","4205","2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Al3 Yb -","- C12 H36 Al3 Yb -","- C96 H288 Al24 Yb8 -","8","2","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0778","0.0626","","","0.1698","0.1826","","","","","","1.029","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106034","10.8877","0.0004","15.7129","0.0005","12.4928","0.0005","90","","101.819","0.003","90","","2091.92","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Al3 Yb -","- C12 H36 Al3 Yb -","- C48 H144 Al12 Yb4 -","4","0.5","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0248","0.0202","","","0.0471","0.0475","","","","","","1.201","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106035","7.4556","0.0009","20.036","0.002","17.65","0.002","90","","96.598","0.009","90","","2619.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H45 Al4 Yb -","- C15 H45 Al4 Yb -","- C60 H180 Al16 Yb4 -","4","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0987","0.0729","","","0.1119","0.1184","","","","","","1.27","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106036","11.8535","0.0006","11.8535","0.0006","27.0516","0.0014","90","","90","","120","","3291.7","0.3","123","2","123","2","","","","","","","","4","P 32","P 32","145","","","","- C32 H80 Al4 Eu2 -","- C32 H80 Al4 Eu2 -","- C96 H240 Al12 Eu6 -","3","1","","Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander","Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates","Journal of the American Chemical Society","2011","133","","6323","6337","10.1021/ja2001049","","","0.71073","MoKα","","0.0594","0.0575","","","0.142","0.1439","","","","","","1.159","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106037","14.6676","0.0008","18.9334","0.0011","27.3174","0.0016","90","","90","","90","","7586.2","0.8","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H45 F6 Ir N5 O P -","- C37 H45 F6 Ir N5 O P -","- C296 H360 F48 Ir8 N40 O8 P8 -","8","1","","Michael J. Cowley; Ralph W. Adams; Kevin D. Atkinson; Martin C. R. Cockett; Simon B. Duckett; Gary G. R. Green; Joost A. B. Lohman; Rainer Kerssebaum; David Kilgour; Ryan E. Mewis","Iridium N-Heterocyclic Carbene Complexes as Efficient Catalysts for Magnetization Transfer frompara-Hydrogen","Journal of the American Chemical Society","2011","133","","6134","6137","10.1021/ja200299u","","","0.71073","MoKα","","0.0447","0.031","","","0.0736","0.0815","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106038","13.9129","0.001","13.9129","0.001","16.236","0.002","79.081","0.007","65.96","0.007","60.573","0.006","2499.7","0.4","90","2","90","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C12 H12 I2 -","- C12 H12 I2 -","- C96 H96 I16 -","8","4","","Cyprien Lemouchi; Cortnie S. Vogelsberg; Leokadiya Zorina; Sergey Simonov; Patrick Batail; Stuart E. Brown; Miguel A. Garcia-Garibay","Ultra-fast Rotors for Molecular Machines and Functional Materials via Halogen Bonding: Crystals of 1,4-Bis(iodoethynyl)bicyclo[2.2.2]octane with Distinct Gigahertz Rotation at Two Sites","Journal of the American Chemical Society","2011","133","","6371","6379","10.1021/ja200503j","","","0.71073","MoKα","","0.0809","0.0519","","","0.1297","0.1478","","","","","","1.06","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106039","31.769","0.003","7.0328","0.0008","12.0594","0.0004","90","","110.9","0.006","90","","2517.1","0.4","130","1","130","1","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 I2 -","- C12 H12 I2 -","- C96 H96 I16 -","8","1","","Cyprien Lemouchi; Cortnie S. Vogelsberg; Leokadiya Zorina; Sergey Simonov; Patrick Batail; Stuart E. Brown; Miguel A. Garcia-Garibay","Ultra-fast Rotors for Molecular Machines and Functional Materials via Halogen Bonding: Crystals of 1,4-Bis(iodoethynyl)bicyclo[2.2.2]octane with Distinct Gigahertz Rotation at Two Sites","Journal of the American Chemical Society","2011","133","","6371","6379","10.1021/ja200503j","","","0.71073","MoKα","","0.0497","0.0316","","","0.0667","0.0781","","","","","","1.026","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106040","31.576","0.002","7.1977","0.0005","12.2949","0.0007","90","","111.674","0.006","90","","2596.8","0.3","295","2","295","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 I2 -","- C12 H12 I2 -","- C96 H96 I16 -","8","1","","Cyprien Lemouchi; Cortnie S. Vogelsberg; Leokadiya Zorina; Sergey Simonov; Patrick Batail; Stuart E. Brown; Miguel A. Garcia-Garibay","Ultra-fast Rotors for Molecular Machines and Functional Materials via Halogen Bonding: Crystals of 1,4-Bis(iodoethynyl)bicyclo[2.2.2]octane with Distinct Gigahertz Rotation at Two Sites","Journal of the American Chemical Society","2011","133","","6371","6379","10.1021/ja200503j","","","0.71073","MoKα","","0.0586","0.0364","","","0.0945","0.1082","","","","","","1.007","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106041","14.868","0.003","27.799","0.006","17.357","0.004","90","","99.206","0.004","90","","7082","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66.92 H91.33 Cr3 N6 P3 -","- C64 H88 Cr3 N6 P3 -","- C256 H352 Cr12 N24 P12 -","4","0.5","","Khalid Albahily; Valeria Fomitcheva; Sandro Gambarotta; Ilia Korobkov; Muralee Murugesu; Serge I. Gorelsky","Preparation and Characterization of a Reduced Chromium Complex via Vinyl Oxidative Coupling: Formation of a Self-Activating Catalyst for Selective Ethylene Trimerization","Journal of the American Chemical Society","2011","133","","6380","6387","10.1021/ja200593k","","","0.71073","MoKα","","0.104","0.0576","","","0.1206","0.1334","","","","","","1.042","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106042","10.1969","0.0004","12.1806","0.0005","13.2273","0.0005","76.674","0.002","89.632","0.002","82.685","0.002","1585.19","0.11","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","2","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.1056","0.0688","","","0.1846","0.2122","","","","","","1.016","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106043","20.8569","0.0004","7.807","0.0002","22.9581","0.0007","90","","90","","90","","3738.26","0.17","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.0739","0.0594","","","0.1371","0.144","","","","","","1.119","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106044","24.988","0.002","7.0092","0.0006","13.0681","0.0011","90","","102.997","0.004","90","","2230.2","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O2 -","- C29 H31 N O2 -","- C116 H124 N4 O8 -","4","1","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.1339","0.1179","","","0.3607","0.37","","","","","","1.183","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106045","24.9305","0.0009","11.2301","0.0004","9.7869","0.0004","90","","109.799","0.002","90","","2578.08","0.17","200","2","200","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36.8 H83.2 Cl2 Cr2 N8 P4 -","- C36.8 H87.2 Cl2 Cr2 N8 P4 -","- C73.6 H174.4 Cl4 Cr4 N16 P8 -","2","0.25","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.0871","0.0717","","","0.1849","0.1968","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106046","16.3492","0.0008","9.8141","0.0005","19.5718","0.001","90","","110.647","0.003","90","","2938.6","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Cr Li N4 O P2 -","- C24 H50 Cr Li N4 O P2 -","- C96 H200 Cr4 Li4 N16 O4 P8 -","4","1","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.0947","0.0524","","","0.1238","0.1422","","","","","","1.029","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106047","13.5057","0.0006","16.7235","0.0008","8.9182","0.0004","90","","90","","90","","2014.29","0.16","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H33 Cr N2 P2 -","- C15 H33 Cr N2 P2 -","- C60 H132 Cr4 N8 P8 -","4","0.5","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.1182","0.0741","","","0.1053","0.1158","","","","","","1.086","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106048","10.635","0.005","15.822","0.007","19.35","0.008","90","","105.545","0.007","90","","3137","2","201","2","201","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Li2 N4 O2 P2 -","- C24 H52 Li2 N4 O2 P2 -","- C96 H208 Li8 N16 O8 P8 -","4","1","","Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky","Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium","Journal of the American Chemical Society","2011","133","","6388","6395","10.1021/ja201003j","","","0.71073","MoKα","","0.1037","0.0521","","","0.1287","0.1566","","","","","","1.024","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106049","6.2025","0.0007","15.2313","0.0016","20.73","0.002","90","","96.957","0.002","90","","1944","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 I N O2 S -","- C20 H22 I N O2 S -","- C80 H88 I4 N4 O8 S4 -","4","1","","Hui Liu; Chaolong Li; Dong Qiu; Xiaofeng Tong","Palladium-Catalyzed Cycloisomerizations of (Z)-1-Iodo-1,6-dienes: Iodine Atom Transfer and Mechanistic Insight to Alkyl Iodide Reductive Elimination","Journal of the American Chemical Society","2011","133","","6187","6193","10.1021/ja201204g","","","0.71073","MoKα","","0.0494","0.0412","","","0.1152","0.1188","","","","","","1.094","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106050","11.1599","0.0013","11.8226","0.0016","13.738","0.002","94.584","0.006","99.776","0.007","107.912","0.007","1682.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 F3 O6 P2 S3 U -","- C30 H31 F3 O6 P2 S3 U -","- C60 H62 F6 O12 P4 S6 U2 -","2","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.098","0.0682","","","0.1618","0.1763","","","","","","1.02","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106051","10.9228","0.0004","25.5141","0.0005","18.4246","0.0007","90","","99.343","0.002","90","","5066.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 O3 P4 S4 U -","- C54 H50 O3 P4 S4 U -","- C216 H200 O12 P16 S16 U4 -","4","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.041","0.0276","","","0.0532","0.0558","","","","","","1.027","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106052","10.9372","0.0007","11.7627","0.001","13.7945","0.0011","81.539","0.004","88.54","0.005","71.934","0.005","1668.4","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 N2 O2 P2 S2 U -","- C35 H30 N2 O2 P2 S2 U -","- C70 H60 N4 O4 P4 S4 U2 -","2","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.0561","0.0451","","","0.1058","0.1096","","","","","","1.064","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106053","11.0767","0.0005","11.4194","0.0005","16.1005","0.0005","98.465","0.002","104.272","0.003","111.859","0.002","1765.94","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H32.5 N2.5 O2 P2 S2 U -","- C38 H32.49 N2 O2 P2 S2 U -","- C76 H64.98 N4 O4 P4 S4 U2 -","2","1","","Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine","Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds","Journal of the American Chemical Society","2011","133","","6162","6165","10.1021/ja201276h","","","0.71073","MoKα","","0.0293","0.023","","","0.0543","0.0554","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106054","14.167","0.004","9.762","0.002","16.468","0.004","90","","92.121","0.003","90","","2275.9","1","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O4 -","- C26 H24 Br N O4 -","- C104 H96 Br4 N4 O16 -","4","2","","Keiji Mori; Kensuke Ehara; Kazuki Kurihara; Takahiko Akiyama","Selective Activation of Enantiotopic C(sp3)-Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2011","133","","6166","6169","10.1021/ja2014955","","","0.71073","MoKα","","0.0625","0.0428","","","0.0839","0.0904","","","","","","0.975","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106055","9.0827","0.0012","11.2356","0.0014","18.831","0.002","90","","90","","90","","1921.7","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O4 -","- C21 H22 Br N O4 -","- C84 H88 Br4 N4 O16 -","4","1","","Keiji Mori; Kensuke Ehara; Kazuki Kurihara; Takahiko Akiyama","Selective Activation of Enantiotopic C(sp3)-Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2011","133","","6166","6169","10.1021/ja2014955","","","0.71073","MoKα","","0.0311","0.0278","","","0.0642","0.0653","","","","","","1.003","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106056","9.8401","0.0003","13.327","0.0004","13.9118","0.0004","85.14","0.002","82.484","0.001","80.871","0.001","1781.98","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","1-Hydroxy-1-(4-cyanophenyl))methyldiphenylphosphine-borane","","- C20 H19 B N O P -","- C20 H19 B N O P -","- C80 H76 B4 N4 O4 P4 -","4","2","","Gabriella Barozzino Consiglio; Pierre Queval; Anne Harrison-Marchand; Alessandro Mordini; Jean-François Lohier; Olivier Delacroix; Annie-Claude Gaumont; Hélène Gérard; Jacques Maddaluno; Hassan Oulyadi","Ph2P(BH3)Li: From Ditopicity to Dual Reactivity","Journal of the American Chemical Society","2011","133","","6472","6480","10.1021/ja201760c","","","0.71073","MoKα","","0.0485","0.0409","","","0.113","0.12","","","","","","1.043","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106057","34.983","0.003","14.0674","0.0012","24.973","0.002","90","","94","0.005","90","","12259.8","1.8","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C147 H126 Cl6 N4 P8 Ru2 -","- C147 H126 Cl6 N4 P8 Ru2 -","- C588 H504 Cl24 N16 P32 Ru8 -","4","0.5","","Emmanuel Di Piazza; Lucie Norel; Karine Costuas; Adrien Bourdolle; Olivier Maury; Stéphane Rigaut","d-f Heterobimetallic Association between Ytterbium and Ruthenium Carbon-Rich Complexes: Redox Commutation of Near-IR Luminescence","Journal of the American Chemical Society","2011","133","","6174","6176","10.1021/ja2023515","","x-ray","0.71073","MoKα","","0.0925","0.0657","","","0.1769","0.1965","","","","","","1.064","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106058","34.9026","0.0013","11.1394","0.0004","25.5872","0.001","90","","124.259","0.001","90","","8222.2","0.5","113.1","","113.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O2 Pt -","- C22 H26 N2 O2 Pt -","- C352 H416 N32 O32 Pt16 -","16","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0643","","","","0.0829","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106059","13.0042","0.0005","13.5725","0.0006","14.1166","0.0007","103.615","0.0014","102.927","0.0013","114.034","0.0012","2063.3","0.16","113.1","","113.1","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O2 Pt -","- C23 H28 N2 O2 Pt -","- C92 H112 N8 O8 Pt4 -","4","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0273","","","","0.0561","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106060","12.8077","0.0006","27.0706","0.0013","13.9033","0.0007","90","","113.592","0.0011","90","","4417.5","0.4","113.1","","113.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O2 Pt -","- C24 H30 N2 O2 Pt -","- C192 H240 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0791","","","","0.1791","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106061","12.8355","0.0012","28.543","0.003","13.7826","0.0013","90","","113.5","0.002","90","","4630.6","0.8","113.1","","113.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O2 Pt -","- C25 H32 N2 O2 Pt -","- C200 H256 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0822","","","","0.2288","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106062","11.9052","0.0007","18.6426","0.0012","21.9089","0.0012","90","","100.391","0.0018","90","","4782.8","0.5","113.1","","113.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 N2 O2 Pt -","- C26 H34 N2 O2 Pt -","- C208 H272 N16 O16 Pt8 -","8","1","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0219","","","","0.0515","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106063","10.9034","0.0004","19.6605","0.0007","23.3795","0.001","90","","94.0904","0.0013","90","","4999","0.3","113.1","","113.1","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H36 N2 O2 Pt -","- C27 H36 N2 O2 Pt -","- C216 H288 N16 O16 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.025","","","","0.0615","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106064","19.5975","0.0012","28.5314","0.0016","17.758","0.0011","90","","152.238","0.0008","90","","4625.1","0.5","113","","113","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H27 N2 O5.5 Pt -","- C22 H26 N2 O5.5 Pt -","- C176 H208 N16 O44 Pt8 -","8","2","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0313","","","","0.0661","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106065","25.822","0.002","10.3809","0.0009","19.6309","0.0016","90","","115.151","0.002","90","","4763.3","0.7","113.1","","113.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N2 O6 Pt -","- C24 H30 N2 O6 Pt -","- C192 H240 N16 O48 Pt8 -","8","1","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0423","","","","0.088","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106066","18.5211","0.0007","5.4679","0.0002","15.7398","0.0006","90","","116.021","0.0012","90","","1432.42","0.09","96","","96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O2 Pt -","- C16 H16 N2 O2 Pt -","- C64 H64 N8 O8 Pt4 -","4","1","","Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota","Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes","Journal of the American Chemical Society","2011","133","","6493","6496","10.1021/ja110398p","","","0.71075","MoKα","","","0.0244","","","","0.1405","","","","","","1.406","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106067","11.4352","0.0004","13.2","0.0004","20.9102","0.0007","90","","103.834","0.001","90","","3064.73","0.18","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 B Mo N7 P -","- C27.35 H36 B Mo N7 P -","- C109.4 H144 B4 Mo4 N28 P4 -","4","1","","Oleg G. Shirobokov; Lyudmila G. Kuzmina; Georgii I. Nikonov","Nonhydride Mechanism of Metal-Catalyzed Hydrosilylation","Journal of the American Chemical Society","2011","133","","6487","6489","10.1021/ja111748u","","","0.71073","MoKα","","0.0541","0.0431","","","0.117","0.1235","","","","","","1.09","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106068","14.942","0.0005","19.918","0.0008","25.3474","0.0009","85.831","0.002","89.63","0.002","88.845","0.002","7522.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sc2S@Cs(6)-C82.Ni(OEP).2benzene","","","- C130 H56 N4 Ni S Sc2 -","- C130 H56 N4 Ni S Sc2 -","- C520 H224 N16 Ni4 S4 Sc8 -","4","2","","Brandon Q. Mercado; Ning Chen; Antonio Rodríguez-Fortea; Mary A. Mackey; Steven Stevenson; Luis Echegoyen; Josep M. Poblet; Marilyn M. Olmstead; Alan L. Balch","The Shape of the Sc2(μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2(μ2-S)@Cs(6)-C82 and Sc2(μ2-S)@C3v(8)-C82","Journal of the American Chemical Society","2011","133","","6752","6760","10.1021/ja200289w","","","0.7749","synchrotron","","0.0869","0.0749","","","0.2027","0.2202","","","","","","1.072","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106069","14.697","0.002","14.756","0.002","20.104","0.003","84.042","0.009","84.611","0.009","61.109","0.008","3791.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sc2S@C3v(8)-C84.Ni(OEP).2(benzene)","","","- C130 H56 N4 Ni S Sc2 -","- C130 H56 N4 Ni S Sc2 -","- C260 H112 N8 Ni2 S2 Sc4 -","2","1","","Brandon Q. Mercado; Ning Chen; Antonio Rodríguez-Fortea; Mary A. Mackey; Steven Stevenson; Luis Echegoyen; Josep M. Poblet; Marilyn M. Olmstead; Alan L. Balch","The Shape of the Sc2(μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2(μ2-S)@Cs(6)-C82 and Sc2(μ2-S)@C3v(8)-C82","Journal of the American Chemical Society","2011","133","","6752","6760","10.1021/ja200289w","","","0.7749","synchrotron","","0.1915","0.1126","","","0.2936","0.345","","","","","","1.065","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106070","9.252","0.003","24.067","0.008","17.032","0.006","90","","96.5948","0.0013","90","","3767","2","103.15","","103","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H41 F3 O7 P2 Pd S -","- C37 H41 F3 O7 P2 Pd S -","- C148 H164 F12 O28 P8 Pd4 S4 -","4","1","","Akifumi Nakamura; Kagehiro Munakata; Shingo Ito; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki","Pd-Catalyzed Copolymerization of Methyl Acrylate with Carbon Monoxide: Structures, Properties and Mechanistic Aspects toward Ligand Design","Journal of the American Chemical Society","2011","133","","6761","6779","10.1021/ja2003268","","","0.7107","MoKα","","0.031","0.0285","","","0.0619","0.0635","","","","","","1.048","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106071","28.6545","0.0018","24.5738","0.0014","17.0791","0.0011","90","","95.935","0.002","90","","11961.8","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Kcrypt)4[SbGe8-Ge8Sb] 3en","","- C78 H166 Ge16 K4 N14 O24 Sb2 -","- C78 H166 Ge16 K4 N14 O24 Sb2 -","- C312 H664 Ge64 K16 N56 O96 Sb8 -","4","1","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1403","0.0745","","","0.1826","0.2159","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106072","14.8186","0.0006","21.0218","0.0008","22.1137","0.0009","90","","131.022","0.002","90","","5197.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(K(18-c-6))4[SbGe8-Ge8Sb] 4en","","- C58 H134 Ge16 K4 N10 O24 Sb2 -","- C58 H134 Ge16 K4 N10 O24 Sb2 -","- C116 H268 Ge32 K8 N20 O48 Sb4 -","2","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1193","0.0557","","","0.1158","0.1393","","","","","","1.022","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106073","33.1657","0.0018","13.9299","0.0007","10.5431","0.0006","90","","90","","90","","4870.9","0.5","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","(Rb(18-crown-6))2[SbGe7-Ge7Sb] 1en","","- C26 H56 Ge7 N2 O12 Rb2 Sb2 -","- C26 H56 Ge6.99 N2 O12 Rb2 Sb2.01 -","- C104 H224 Ge27.96 N8 O48 Rb8 Sb8.04 -","4","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.0861","0.0736","","","0.1713","0.1796","","","","","","1.06","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106074","12.9472","0.0009","16.5696","0.0009","16.5832","0.0009","81.879","0.003","69.709","0.002","84.921","0.003","3300.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)2[SbGe8-SbPh2]","","- C48 H82 Ge8 K2 N4 O12 Sb2 -","- C48 H82 Ge8 K2 N4 O12 Sb2 -","- C96 H164 Ge16 K4 N8 O24 Sb4 -","2","1","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.0646","0.0462","","","0.1019","0.1133","","","","","","1.033","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106075","15.347","0.003","21.923","0.005","17.287","0.003","90","","90.963","0.011","90","","5815","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K(18-crown-6))4[BiGe8-Ge8Bi] 5en","","- C58 H136 Bi2 Ge16 K4 N10 O24 -","- C58 H136 Bi2 Ge16 K4 N10 O24 -","- C116 H272 Bi4 Ge32 K8 N20 O48 -","2","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1446","0.0617","","","0.1381","0.1822","","","","","","1.006","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106076","11.8075","0.0008","11.2012","0.0007","21.5365","0.0014","90","","91.853","0.004","90","","2846.9","0.3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","(K-crypt)2[SbGe8-CHCH2]","","- C38 H75 Ge8 K2 N4 O12 Sb -","- C38 H75 Ge8 K2 N4 O12 Sb -","- C76 H150 Ge16 K4 N8 O24 Sb2 -","2","0.5","","Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov","""n-Doping"" of Deltahedral Zintl Ions","Journal of the American Chemical Society","2011","133","","6560","6562","10.1021/ja200520c","","","0.71073","MoKα","","0.1332","0.0988","","","0.2185","0.2318","","","","","","1.19","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106077","9.8","0.004","9.819","0.004","21.005","0.008","79.398","0.011","80.237","0.011","79.763","0.012","1935.4","1.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","2","","Itaru Nakamura; Toshiharu Araki; Masahiro Terada","Five-Bond Cleavage in Copper-Catalyzed Skeletal Rearrangement of O-Propargyl Arylaldoximes to β-Lactams","Journal of the American Chemical Society","2011","133","","6861","6861","10.1021/ja201074e","","","0.7107","MoKα","","","0.0603","","","","0.1783","","","","","","1.098","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106078","12.635","0.004","14.492","0.004","19.962","0.006","90","","90","","90","","3655.2","1.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","","Itaru Nakamura; Dong Zhang; Masahiro Terada","Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes","Journal of the American Chemical Society","2011","133","","6862","6862","10.1021/ja201076c","","","0.7107","MoKα","","","0.1055","","","","0.1683","","","","","","1.42","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106079","14.227","0.003","14.836","0.003","24.446","0.005","73.894","0.003","76.732","0.003","68.275","0.003","4558.5","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H81.2 Ag Cl12 P -","- C122 H81.2 Ag Cl12 P -","- C244 H162.4 Ag2 Cl24 P2 -","2","1","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.1162","0.0879","","","0.219","0.2422","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106080","26","0.004","24.254","0.004","28.202","0.004","90","","94.136","0.002","90","","17738","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C133 H87 Ag O0.5 P -","- C133 H87 Ag O0.5 P -","- C1064 H696 Ag8 O4 P8 -","8","2","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.147","0.0692","","","0.1615","0.1983","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106081","17.674","0.004","23.521","0.005","18.549","0.004","90","","96.942","0.003","90","","7654","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C116 H50 Cu P S6 -","- C116 H50 Cu P S6 -","- C464 H200 Cu4 P4 S24 -","4","1","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.1021","0.0546","","","0.1262","0.1502","","","","","","1.009","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106082","15.9694","0.0013","16.1495","0.0014","20.9835","0.0018","81.018","0.001","83.415","0.001","63.649","0.001","4783.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H83 Cl9 Cu P -","- C131 H83 Cl9 Cu P -","- C262 H166 Cl18 Cu2 P2 -","2","1","","Merissa Halim; Robert D. Kennedy; Mitsuharu Suzuki; Saeed I. Khan; Paula L. Diaconescu; Yves Rubin","Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides","Journal of the American Chemical Society","2011","133","","6841","6851","10.1021/ja201297r","","","0.71073","MoKα","","0.1747","0.0661","","","0.1453","0.1761","","","","","","0.827","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106083","9.3456","0.0006","10.2047","0.0006","12.7683","0.0008","90","","110.344","0.0007","90","","1141.75","0.12","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N4 O5 -","- C26 H24 N4 O5 -","- C52 H48 N8 O10 -","2","1","","John E. DeLorbe; Salman Y. Jabri; Steven M. Mennen; Larry E. Overman; Fang-Li Zhang","Enantioselective Total Synthesis of (+)-Gliocladine C: Convergent Construction of Cyclotryptamine-Fused Polyoxopiperazines and a General Approach for Preparing Epidithiodioxopiperazines from Trioxopiperazine Precursors","Journal of the American Chemical Society","2011","133","","6549","6552","10.1021/ja201789v","","","0.71073","MoKα","","0.0472","0.0439","","","0.1156","0.1184","","","","","","1.054","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106084","17.4546","0.0011","11.202","0.0007","29.432","0.0019","90","","105.571","0.0008","90","","5543.5","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H25 Cl3 N4 O4 S2 -","- C26.5 H25 Cl3 N4 O4 S2 -","- C212 H200 Cl24 N32 O32 S16 -","8","2","","John E. DeLorbe; Salman Y. Jabri; Steven M. Mennen; Larry E. Overman; Fang-Li Zhang","Enantioselective Total Synthesis of (+)-Gliocladine C: Convergent Construction of Cyclotryptamine-Fused Polyoxopiperazines and a General Approach for Preparing Epidithiodioxopiperazines from Trioxopiperazine Precursors","Journal of the American Chemical Society","2011","133","","6549","6552","10.1021/ja201789v","","","0.71073","MoKα","","0.0703","0.0573","","","0.1607","0.1729","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106085","15.948","0.002","4.6845","0.0007","30.67","0.004","90","","97.887","0.002","90","","2269.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55.64 H40.71 N4.94 O3.88 -","- C55.652 H40.71 N4.942 O3.884 -","- C111.304 H81.42 N9.884 O7.768 -","2","0.5","","Sandipan Dawn; Mahender B. Dewal; David Sobransingh; Monissa C. Paderes; Arief C. Wibowo; Mark D. Smith; Jeanette A. Krause; Perry J. Pellechia; Linda S. Shimizu","Self-Assembled Phenylethynylene Bis-urea Macrocycles Facilitate the Selective Photodimerization of Coumarin","Journal of the American Chemical Society","2011","133","","7025","7032","10.1021/ja110779h","","","0.7749","synchrotron","","0.0905","0.0715","","","0.2127","0.2266","","","","","","1.116","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106086","15.8778","0.0003","16.467","0.0003","17.9466","0.0003","88.0272","0.0008","72.4209","0.0008","69.9804","0.0007","4190.42","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","C60(tBuC6H4)5CoS3(C6H6)2.5","","- C125 H80 Co S3 -","- C125 H80 Co S3 -","- C250 H160 Co2 S6 -","2","1","","Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo","Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes","Journal of the American Chemical Society","2011","133","","6890","6893","10.1021/ja111474v","","","1.54187","CuKα","","0.1642","0.097","","","0.2134","0.2668","","","","","","1.084","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106087","16.3208","0.0003","16.8986","0.0004","17.3102","0.0005","81.841","0.002","69.7535","0.0017","73.2243","0.0015","4283.83","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C126 H85 Co S3 -","- C126 H85 Co S3 -","- C252 H170 Co2 S6 -","2","1","","Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo","Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes","Journal of the American Chemical Society","2011","133","","6890","6893","10.1021/ja111474v","","","1.54187","CuKα","","0.0801","0.0618","","","0.173","0.1815","","","","","","1.184","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106088","15.7683","0.0006","16.2029","0.0006","18.0541","0.0007","72.451","0.002","66.762","0.002","86.709","0.003","4031.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H81 Co S2 -","- C124 H81 Co S2 -","- C248 H162 Co2 S4 -","2","1","","Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo","Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes","Journal of the American Chemical Society","2011","133","","6890","6893","10.1021/ja111474v","","","1.54187","CuKα","","0.2727","0.1132","","","0.2291","0.2838","","","","","","1.066","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106089","12.7155","0.0015","16.2674","0.0018","23.822","0.003","90","","96.242","0.002","90","","4898.3","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H68 N3 P Si6 U -","- C37 H68 N3 P Si6 U -","- C148 H272 N12 P4 Si24 U4 -","4","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","Synthesis of a Phosphorano-Stabilized U(IV)-Carbene via One-Electron Oxidation of a U(III)-Ylide Adduct","Journal of the American Chemical Society","2011","133","","6894","6897","10.1021/ja2001133","","","0.71073","MoKα","","0.0821","0.0439","","","0.0922","0.1017","","","","","","0.985","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106090","10.822","0.009","11.711","0.01","19.296","0.016","83.326","0.013","89.784","0.014","83.18","0.012","2412","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H70 N3 P Si6 U -","- C37 H70 N3 P Si6 U -","- C74 H140 N6 P2 Si12 U2 -","2","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","Synthesis of a Phosphorano-Stabilized U(IV)-Carbene via One-Electron Oxidation of a U(III)-Ylide Adduct","Journal of the American Chemical Society","2011","133","","6894","6897","10.1021/ja2001133","","","0.71073","MoKα","","0.0809","0.0496","","","0.0998","0.1091","","","","","","0.923","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106091","9.425","0.01","9.633","0.007","19.58","0.02","101.9","0.07","98.01","0.07","103.41","0.06","1659","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 Li2 N6 -","- C36 H48 Li2 N6 -","- C72 H96 Li4 N12 -","2","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.1807","0.0862","","","0.1509","0.1905","","","","","","1.112","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106092","11.638","0.0014","10.9616","0.0013","20.954","0.003","90","","102.795","0.013","90","","2606.7","0.6","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Li2 N4 -","- C30 H34 Li2 N4 -","- C120 H136 Li8 N16 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.1171","0.044","","","0.0728","0.0866","","","","","","0.843","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106093","9.9517","0.0006","9.9517","0.0006","21.757","0.002","90","","90","","120","","1866.1","0.2","140","2","140","2","","","","","","","","5","P 31","P 31","144","","","","- C28 H35 Li N2 O2 -","- C28 H35 Li N2 O2 -","- C84 H105 Li3 N6 O6 -","3","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.088","0.0548","","","0.0957","0.1046","","","","","","0.944","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106094","11.674","0.002","14.028","0.003","14.417","0.003","90","","110.7","0.03","90","","2208.6","0.9","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Cl2 Mg2 N4 O2 -","- C48 H54 Cl2 Mg2 N4 O2 -","- C96 H108 Cl4 Mg4 N8 O4 -","2","0.5","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.1218","0.0693","","","0.1559","0.182","","","","","","1.136","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106095","9.949","0.0008","12.5384","0.0019","14.8903","0.0016","113.657","0.01","91.947","0.007","111.582","0.008","1545.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H17 Cl2 N3 Ni -","- C14.5 H17 Cl2 N3 Ni -","- C58 H68 Cl8 N12 Ni4 -","4","2","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0822","0.0724","","","0.2213","0.2285","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106096","25.079","0.005","8.783","0.0018","16.494","0.003","90","","101.76","0.03","90","","3556.9","1.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cl N3 Ni -","- C18 H24 Cl N3 Ni -","- C144 H192 Cl8 N24 Ni8 -","8","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.078","0.052","","","0.1098","0.1208","","","","","","1.12","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106097","24.052","0.003","12.1888","0.0018","8.7468","0.0012","90","","90","","90","","2564.3","0.6","140","2","140","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H34 N4 Ni -","- C30 H34 N4 Ni -","- C120 H136 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.096","0.0486","","","0.0815","0.0916","","","","","","0.906","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106098","14.755","0.003","10.848","0.002","20.482","0.004","90","","95.92","0.03","90","","3260.9","1.1","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl N2 Ni P -","- C38 H36 Cl N2 Ni P -","- C152 H144 Cl4 N8 Ni4 P4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0739","0.0542","","","0.1226","0.132","","","","","","0.995","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106099","9.209","0.0018","11.415","0.002","25.719","0.005","90","","90","","90","","2703.6","0.9","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl N4 Ni -","- C30 H29 Cl N4 Ni -","- C120 H116 Cl4 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0442","0.0423","","","0.104","0.106","","","","","","1.112","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106100","11.3515","0.0005","13.3682","0.0012","19.724","0.002","90","","90","","90","","2993.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Cl N4 Ni -","- C32 H33 Cl N4 Ni -","- C128 H132 Cl4 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0389","0.0306","","","0.0568","0.0599","","","","","","1.091","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106101","8.652","0.0017","13.343","0.003","17.759","0.004","90","","100.48","0.03","90","","2016","0.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl N3 Ni -","- C21 H24 Cl N3 Ni -","- C84 H96 Cl4 N12 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0924","0.0735","","","0.1793","0.1913","","","","","","1.143","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106102","11.049","0.003","27.593","0.003","13.867","0.003","90","","92.802","0.015","90","","4222.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl N3 Ni -","- C22 H26 Cl N3 Ni -","- C176 H208 Cl8 N24 Ni8 -","8","2","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0794","0.0655","","","0.16","0.172","","","","","","1.17","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106103","15.2003","0.0016","16.024","0.003","19.873","0.004","90","","90","","90","","4840.5","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Cl N3 Ni -","- C27 H28 Cl N3 Ni -","- C216 H224 Cl8 N24 Ni8 -","8","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0811","0.0502","","","0.0906","0.1022","","","","","","1.236","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106104","8.848","0.004","13.727","0.005","11.346","0.005","90","0.002","111.621","0.002","90","0.002","1281.1","0.9","153.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Hiroki Oguri; Takahisa Hiruma; Yutaka Yamagishi; Hideaki Oikawa; Aki Ishiyama; Kazuhiko Otoguro; Haruki Yamada; Satoshi Ōmura","Generation of Anti-trypanosomal Agents through Concise Synthesis and Structural Diversification of Sesquiterpene Analogues","Journal of the American Chemical Society","2011","133","","7096","7105","10.1021/ja200374q","","","0.7107","MoKα","","","0.0484","","","","0.1367","","","","","","1.349","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106105","8.15817","0.00015","12.4378","0.0002","13.4449","0.0003","90","","90","","90","","1364.25","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,4aS,8R,8aS)-8-hydroxy-4'-methyl-3,4,4a,5,6,7,8,8a- octahydro-2H-spiro[naphthalene-1,6'-[1,2]oxazine]-4a-carbonitrile","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Hiroki Oguri; Takahisa Hiruma; Yutaka Yamagishi; Hideaki Oikawa; Aki Ishiyama; Kazuhiko Otoguro; Haruki Yamada; Satoshi Ōmura","Generation of Anti-trypanosomal Agents through Concise Synthesis and Structural Diversification of Sesquiterpene Analogues","Journal of the American Chemical Society","2011","133","","7096","7105","10.1021/ja200374q","","","1.54187","CuKα","","0.0368","0.0317","","","0.0719","0.0778","","","","","","1.126","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106106","11.1899","0.0018","39.912","0.007","14.267","0.002","90","","92.541","0.013","90","","6365.5","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65.05 H85.15 Cl1.95 N3 O9.35 Ru3 -","- C65.05 H85.15 Cl1.95 N3 O9.35 Ru3 -","- C260.2 H340.6 Cl7.8 N12 O37.4 Ru12 -","4","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0581","0.0449","","","0.0779","0.0825","","","","","","1.17","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106107","12.8074","0.001","17.1174","0.0015","19.0333","0.0013","104.466","0.007","92.224","0.006","111.419","0.008","3722","0.6","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.6 H64.6 Cl4.8 N3 O9 Ru3 -","- C67.6 H64.6 Cl4.8 N3 O9 Ru3 -","- C135.2 H129.2 Cl9.6 N6 O18 Ru6 -","2","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1507","0.1015","","","0.2896","0.3137","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106108","11.7185","0.0006","13.5985","0.0008","21.1648","0.0008","93.476","0.004","96.109","0.004","114.941","0.005","3019.9","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Cl3 N3 O9 Ru3 -","- C64 H58 Cl3 N3 O9 Ru3 -","- C128 H116 Cl6 N6 O18 Ru6 -","2","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0339","0.0303","","","0.0864","0.0885","","","","","","1.048","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106109","43.312","0.005","20.595","0.002","40.698","0.004","90","","111.009","0.012","90","","33890","7","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C270 H250 Cl30 N24 O24 Ru12 -","- C260 H240 N24 O24 Ru12 -","- C1040 H960 N96 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1857","0.126","","","0.2857","0.3008","","","","","","1.479","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106110","46.782","0.01","21.66","0.007","43.661","0.01","90","","113.095","0.012","90","","40696","19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C302 H320 N24 O34 Ru12 -","- C291.992 H280 N24 O24 Ru12 -","- C1167.97 H1120 N96 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1029","0.08","","","0.2125","0.2273","","","","","","1.057","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106111","25.854","0.003","18.338","0.003","35.306","0.005","90","","94.407","0.008","90","","16689","4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C238 H292 F2 N28 O34 Ru12 -","- C238 H292 F2 N28 O34 Ru12 -","- C476 H584 F4 N56 O68 Ru24 -","2","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1872","0.1109","","","0.2969","0.3457","","","","","","1.028","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106112","32.975","0.003","43.449","0.009","27.608","0.004","90","","90","","90","","39555","11","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C224 H248 Cl60 N28 O24 Ru12 -","- C214 H238 Cl30 N28 O24 Ru12 -","- C856 H952 Cl120 N112 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1974","0.1557","","","0.3628","0.3772","","","","","","2.233","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106113","18.703","0.004","18.732","0.004","23.369","0.005","89.61","0.03","72.09","0.03","77.26","0.03","7582","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H135 N15 O12 Ru6 -","- C123 H135 N15 O12 Ru6 -","- C246 H270 N30 O24 Ru12 -","2","1","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1524","0.1307","","","0.339","0.3627","","","","","","1.305","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106114","20.034","0.003","20.034","0.003","91.487","0.018","90","","90","","120","","31800","9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C124 H134 Cl12 N12 O14 Ru6 -","- C124.02 H130.02 Cl12.06 N12 O14 Ru6 -","- C744.12 H780.12 Cl72.36 N72 O84 Ru36 -","6","0.166667","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.187","0.1375","","","0.3449","0.3832","","","","","","1.278","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106115","20.279","0.004","20.279","0.004","62.756","0.005","90","","90","","120","","22350","6","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C109 H125 Cl21 N12 O14 Ru6 -","- C109 H121 Cl21 N12 O14 Ru6 -","- C654 H726 Cl126 N72 O84 Ru36 -","6","0.166667","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0996","0.0617","","","0.1605","0.1949","","","","","","1.118","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106116","16.332","0.002","16.332","0.002","47.642","0.01","90","","90","","120","","11005","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H88.5 F0.5 N6 O7 Ru3 -","- C84 H88.5 F0.51 N6 O7 Ru3 -","- C504 H531 F3.06 N36 O42 Ru18 -","6","0.333333","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0725","0.0467","","","0.1052","0.119","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106117","20.5269","0.0003","20.5269","0.0003","20.5269","0.0003","90","","90","","90","","8649.1","0.2","140","2","140","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C84 H83 F N6 O6 Ru3 -","- C84 H83.01 F0.99 N6 O6 Ru3 -","- C336 H332.04 F3.96 N24 O24 Ru12 -","4","0.333333","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0987","0.0637","","","0.1438","0.1558","","","","","","0.996","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106118","16.4846","0.0012","7.6746","0.0005","13.0858","0.001","90","","112.595","0.009","90","","1528.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F3 N3 O2 -","- C16 H12 F3 N3 O2 -","- C64 H48 F12 N12 O8 -","4","1","","Jun Zhou; Jianjun He; Binjie Wang; Weijun Yang; Hongjun Ren","1,7-Palladium Migration via C-H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of Benzotriazoles","Journal of the American Chemical Society","2011","133","","6868","6870","10.1021/ja2007438","","","1.54184","CuKα","","0.0783","0.0477","","","0.1263","0.144","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106119","10.9639","0.0005","20.6081","0.001","21.6433","0.0013","90","","101.468","0.003","90","","4792.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La2@C80(CClPh)","La2@C80(CClPh)","","- C93 H9 Cl3 La2 -","- C93 H9 Cl3 La2 -","- C372 H36 Cl12 La8 -","4","1","","Midori O. Ishitsuka; Shogo Sano; Haruka Enoki; Satoru Sato; Hidefumi Nikawa; Takahiro Tsuchiya; Zdenek Slanina; Naomi Mizorogi; Michael T. H. Liu; Takeshi Akasaka; Shigeru Nagase","Regioselective Bis-functionalization of Endohedral Dimetallofullerene, La2@C80: Extremal La-La Distance","Journal of the American Chemical Society","2011","133","","7128","7134","10.1021/ja200903q","","x-ray","0.9983","synchrotron","","0.1626","0.1299","","","0.3638","0.3825","","","","","","1.021","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106120","10.948","0.002","23.752","0.004","21.215","0.004","90","","96.123","0.007","90","","5485.2","1.7","120","","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La2@C80(CClPh)(Ad)","","","- C104 H27 Cl La2 -","- C104 H27 Cl La2 -","- C416 H108 Cl4 La8 -","4","1","","Midori O. Ishitsuka; Shogo Sano; Haruka Enoki; Satoru Sato; Hidefumi Nikawa; Takahiro Tsuchiya; Zdenek Slanina; Naomi Mizorogi; Michael T. H. Liu; Takeshi Akasaka; Shigeru Nagase","Regioselective Bis-functionalization of Endohedral Dimetallofullerene, La2@C80: Extremal La-La Distance","Journal of the American Chemical Society","2011","133","","7128","7134","10.1021/ja200903q","","","0.71075","MoKα","","0.0987","0.0571","","","0.1203","0.1324","","","","","","1.03","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106121","8.5255","0.0002","10.0064","0.0002","28.4762","0.0005","90","","90","","90","","2429.29","0.09","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-Benzoic acid 4-(diethoxyphosphorylmethylene)-1- (toluene-4-sulfonyl)pyrrolidin-3-yl ester","","- C23 H28 N O7 P S -","- C23 H28 N O7 P S -","- C92 H112 N4 O28 P4 S4 -","4","1","","Kengo Masuda; Norifumi Sakiyama; Rie Tanaka; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Cyclizations of γ-Alkynylaldehydes with Acyl Phosphonates: Ligand- and Substituent-Controlled C-P or C-H Bond Cleavage","Journal of the American Chemical Society","2011","133","","6918","6921","10.1021/ja201337x","","","1.54187","CuKα","","0.0442","0.0393","","","0.1066","0.1127","","","","","","0.993","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106122","6.6817","0.0005","14.4877","0.0009","14.9056","0.001","90","","90","","90","","1442.9","0.17","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H17 N5 O6 -","- C12 H17 N5 O6 -","- C48 H68 N20 O24 -","4","1","","Dongwon Shin; Yitzhak Tor","Bifacial Nucleoside as a Surrogate for Both T and A in Duplex DNA","Journal of the American Chemical Society","2011","133","","6926","6929","10.1021/ja201397e","","","1.54184","CuKα","","0.0346","0.0336","","","0.0926","0.0934","","","","","","1.085","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106123","16.5765","0.0004","16.5765","0.0004","19.2519","0.001","90","","90","","90","","5290","0.3","293","2","293","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- K20 Nb28 O120 Si2 -","- K20 Nb28 O120 Si2 -","- K40 Nb56 O240 Si4 -","2","0.125","","Zhenyu Zhang; Qipu Lin; Dharmalingam Kurunthu; Tao Wu; Fan Zuo; Shou-Tian Zheng; Christopher J. Bardeen; Xianhui Bu; Pingyun Feng","Synthesis and Photocatalytic Properties of a New Heteropolyoxoniobate Compound: K10[Nb2O2(H2O)2][SiNb12O40].12H2O","Journal of the American Chemical Society","2011","133","","6934","6937","10.1021/ja201670x","","","0.71073","MoKα","","0.0804","0.0723","","","0.1967","0.2025","","","","","","1.048","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106124","38.458","0.002","5.8962","0.0002","18.4814","0.0014","90","","114.828","0.009","90","","3803.4","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19.5 Cl2 N O1.25 -","- C20 H19.5 Cl2 N O1.25 -","- C160 H156 Cl16 N8 O10 -","8","2","","Chu-Hung Wei; Subramaniyan Mannathan; Chien-Hong Cheng","Enantioselective Synthesis of β-Substituted Cyclic Ketones via Cobalt-Catalyzed Asymmetric Reductive Coupling of Alkynes with Alkenes","Journal of the American Chemical Society","2011","133","","6942","6944","10.1021/ja201827j","","","1.54178","CuKα","","0.0589","0.0452","","","0.1197","0.1286","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106125","21.1577","0.0003","21.1577","0.0003","17.4764","0.0002","90","","90","","120","","6775.16","0.16","133","2","133","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H15 Rb -","- C18 H15 Rb -","- C324 H270 Rb18 -","18","1","","Sven Krieck; Robert Kretschmer; Helmar Görls; Matthias Westerhausen","Rubidium-Mediated Birch-Type Reduction of 1,2-Diphenylbenzene in Tetrahydrofuran","Journal of the American Chemical Society","2011","133","","6960","6963","10.1021/ja2018527","","","0.71073","MoKα","","0.0905","0.0595","","","0.152","0.1741","","","","","","1.113","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106126","15.577","0.003","9.8472","0.0016","17.36","0.003","90","","92.0403","0.0007","90","","2661.2","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound1","dibenzoborole","","- C30 H38 B N O -","- C30 H38 B N O -","- C120 H152 B4 N4 O4 -","4","1","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.0616","0.0507","","","0.1255","0.1333","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106127","10.698","0.004","11.602","0.004","14.185","0.005","101.036","0.003","106.603","0.003","105.435","0.003","1556.7","1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","cmpd2","dithienoborole","","- C29 H43 B S2 Si2 -","- C29 H43 B S2 Si2 -","- C58 H86 B2 S4 Si4 -","2","1","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.0964","0.0569","","","0.1265","0.1472","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106128","12.58","0.003","14.116","0.004","16.02","0.004","71.525","0.013","77.197","0.015","76.333","0.012","2588.4","1.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","cmpd3","(benzothieno)(benzo)borole","","- C30.25 H31 B S -","- C30.25 H31 B S -","- C121 H124 B4 S4 -","4","2","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.1234","0.0769","","","0.1966","0.2308","","","","","","1.046","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106129","10.1867","0.0011","11.1461","0.0018","13.737","0.002","87.099","0.009","69.844","0.007","66.206","0.007","1332.6","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","cmpd4","bis(benzothieno)borole","","- C31 H31 B S2 -","- C31 H31 B S2 -","- C62 H62 B2 S4 -","2","1","","Azusa Iida; Shigehiro Yamaguchi","Thiophene-Fused Ladder Boroles with High Antiaromaticity","Journal of the American Chemical Society","2011","133","","6952","6955","10.1021/ja2019977","","","0.7107","MoKα","","0.0759","0.0491","","","0.1122","0.1263","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106130","5.6076","0.00013","9.3875","0.0002","12.8524","0.0003","70.347","0.002","89.0054","0.0019","83.0633","0.0019","632.3","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br F O -","- C14 H14 Br F O -","- C28 H28 Br2 F2 O2 -","2","2","","Jacobsen, Christian Borch; Nielsen, Martin; Worgull, Dennis; Zweifel, Theo; Fisker, Esben; Jørgensen, Karl Anker","Asymmetric Organocatalytic Monofluorovinylations","Journal of the American Chemical Society","2011","133","19","7398","7404","10.1021/ja110624k","","","0.71073","MoKα","","0.0411","0.0298","","","0.0967","0.1112","","","","","","0.826","","","","has coordinates","210880","2020-10-21","18:00:00",""
"4106131","10.4912","0.0004","12.2508","0.0005","13.7547","0.0005","90","","105.157","0.002","90","","1706.33","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H44 Cl2 N2 O Ru -","- C37 H44 Cl2 N2 O Ru -","- C74 H88 Cl4 N4 O2 Ru2 -","2","1","","Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs","Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis","Journal of the American Chemical Society","2011","133","","7490","7496","10.1021/ja200246e","","","0.71073","MoKα","","0.0351","0.027","","","0.039","0.0399","","","","","","1.115","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106132","10.5474","0.0003","15.6796","0.0005","19.1646","0.0006","90","","90","","90","","3169.42","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Cl2 N2 O Ru -","- C33 H42 Cl2 N2 O Ru -","- C132 H168 Cl8 N8 O4 Ru4 -","4","1","","Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs","Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis","Journal of the American Chemical Society","2011","133","","7490","7496","10.1021/ja200246e","","","0.71073","MoKα","","0.0306","0.025","","","0.0341","0.0349","","","","","","1.069","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106133","14.7945","0.0006","14.7945","0.0006","14.7246","0.0004","90","","90","","120","","2791.1","0.18","173","2","173","2","","","","","","","synthesis as described","3","P 32","P 32","145","Compound 2","1,4-bis[3-methoxy-estra-1,3,5-(10)-trien-17α-ethynyl]phenylene","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Braulio Rodríguez-Molina; Norberto Farfán; Margarita Romero; J. Manuel Méndez-Stivalet; Rosa Santillan; Miguel A. Garcia-Garibay","Anisochronous Dynamics in a Crystalline Array of Steroidal Molecular Rotors: Evidence of Correlated Motion within 1D Helical Domains","Journal of the American Chemical Society","2011","133","","7280","7283","10.1021/ja2006274","","x-ray","0.71073","MoKα","","0.0875","0.0512","","","0.0818","0.0925","","","","","","0.981","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106134","14.873","0.002","14.873","0.002","14.794","0.003","90","","90","","120","","2834.1","0.8","293","2","293","2","","","","","","","synthesis as described","3","P 32","P 32","145","Compound 2","1,4-bis[3-methoxy-estra-1,3,5-(10)-trien-17α-ethynyl]phenylene","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Braulio Rodríguez-Molina; Norberto Farfán; Margarita Romero; J. Manuel Méndez-Stivalet; Rosa Santillan","Anisochronous Dynamics in a Crystalline Array of Steroidal Molecular Rotors: Evidence of Correlated Motion within 1D Helical Domains","Journal of the American Chemical Society","2011","133","","7280","7283","10.1021/ja2006274","","x-ray","0.71073","MoKα","","0.0977","0.0523","","","0.1041","0.1177","","","","","","0.942","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106135","12.7395","0.0004","5.5981","0.0002","32.0262","0.0011","90","","96.383","0.001","90","","2269.85","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C108 H100 N4 O12 S4 -","4","1","","Jian-Jun Feng; Junliang Zhang","An Atom-Economic Synthesis of Bicyclo[3.1.0]hexanes by Rhodium N-Heterocyclic Carbene-Catalyzed Diastereoselective Tandem Hetero-[5 + 2] Cycloaddition/Claisen Rearrangement Reaction of Vinylic Oxiranes with Alkynes","Journal of the American Chemical Society","2011","133","","7304","7307","10.1021/ja2014604","","","0.71073","MoKα","","0.0606","0.0416","","","0.0984","0.1097","","","","","","1.027","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106136","20.3479","0.0019","11.3637","0.001","40.329","0.004","90","","99.347","0.002","90","","9201.4","1.5","223.1","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H42 Cl2 F6 Ir N2 P3 -","- C45.5 H41.5 Cl2 F6 Ir N2 P3 -","- C364 H332 Cl16 F48 Ir8 N16 P24 -","8","2","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.0776","","","","0.1553","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106137","10.95","0.004","18.517","0.007","21.354","0.007","90","","90","","90","","4330","3","223.1","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H42 F6 Ir N2 P3 -","- C45 H40 F6 Ir N2 P3 -","- C180 H160 F24 Ir4 N8 P12 -","4","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.069","","","","0.104","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106138","36.914","0.003","36.914","0.003","7.7817","0.0006","90","","90","","120","","9183.1","1.3","223.1","","223","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H24.5 I Ir N2 O0.25 -","- C17 H22 I Ir N2 -","- C306 H396 I18 Ir18 N36 -","18","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.029","","","","0.0545","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106139","9.8963","0.0011","23.617","0.003","14.7431","0.0016","90","","102.965","0.003","90","","3357.9","0.7","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F6 Ir N2 P2 -","- C35 H37 F6 Ir N2 P2 -","- C140 H148 F24 Ir4 N8 P8 -","4","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.0541","","","","0.0918","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106140","14.4995","0.0007","17.405","0.0011","21.6522","0.0012","90","","90","","90","","5464.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H72 Mg2 N8 O2 -","- C61 H72 Mg2 N8 O2 -","- C244 H288 Mg8 N32 O8 -","4","1","","James W. Leeland; Fraser J. White; Jason B. Love","Encapsulation of a Magnesium Hydroxide Cubane by a Bowl-Shaped Polypyrrolic Schiff Base Macrocycle","Journal of the American Chemical Society","2011","133","","7320","7323","10.1021/ja201630b","","","0.71073","MoKα","","0.0692","0.0477","","","0.0906","0.1001","","","","","","1.018","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106141","22.02","0.0007","20.7992","0.0009","23.3115","0.001","90","","90","","90","","10676.6","0.7","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C58 H68 Mg2 N8 O4 -","- C46 H56 Mg2 N8 O4 -","- C368 H448 Mg16 N64 O32 -","8","1","","James W. Leeland; Fraser J. White; Jason B. Love","Encapsulation of a Magnesium Hydroxide Cubane by a Bowl-Shaped Polypyrrolic Schiff Base Macrocycle","Journal of the American Chemical Society","2011","133","","7320","7323","10.1021/ja201630b","","","0.71073","MoKα","","0.141","0.0855","","","0.2449","0.2739","","","","","","1.025","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106142","9.4386","0.0008","12.6588","0.001","20.9666","0.0018","81.3678","0.0013","77.0299","0.0013","70.7556","0.0013","2296.9","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 F4 N2 Pd -","- C25 H28 F4 N2 Pd -","- C100 H112 F16 N8 Pd4 -","4","2","","Nicholas D. Ball; J. Brannon Gary; Yingda Ye; Melanie S. Sanford","Mechanistic and Computational Studies of Oxidatively-Induced Aryl-CF3 Bond-Formation at Pd: Rational Design of Room Temperature Aryl Trifluoromethylation","Journal of the American Chemical Society","2011","133","","7577","7584","10.1021/ja201726q","","","0.71073","MoKα","","0.058","0.0441","","","0.105","0.1126","","","","","","1.034","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106143","21.1093","0.0017","11.8779","0.001","26.872","0.002","90","","101.162","0.001","90","","6610.3","0.9","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H112 N2 Si12 -","- C46 H112 N2 Si12 -","- C184 H448 N8 Si48 -","4","1","","Torahiko Yamaguchi; Akira Sekiguchi","Unusual Reactivity of a Disilyne with 4-Dimethylaminopyridine: Formation of an Intramolecularly N-Coordinated Silylene and Its Isomerization to a Zwitterionic Silyl Anion","Journal of the American Chemical Society","2011","133","","7352","7354","10.1021/ja202605x","","","0.71073","MoKα","","0.0903","0.0481","","","0.1082","0.1245","","","","","","1.005","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106144","10.0624","0.0014","10.0624","0.0014","8.8361","0.0018","90","","90","","120","","774.8","0.2","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- B6 Cl K3 O10 -","- B6 Cl K3 O10 -","- B18 Cl3 K9 O30 -","3","0.166667","","Hongping Wu; Shilie Pan; Kenneth R. Poeppelmeier; Hongyi Li; Dianzeng Jia; Zhaohui Chen; Xiaoyun Fan; Yun Yang; James M. Rondinelli; Haosu Luo","K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge","Journal of the American Chemical Society","2011","133","","7786","7790","10.1021/ja111083x","","","0.71073","MoKα","","0.0143","0.0138","","","0.032","0.0323","","","","","","1.188","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106145","9.7847","0.0008","10.3851","0.0009","16.1374","0.0015","90","","106.838","0.003","90","","1569.5","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Moisés Gulías; Alba Collado; Beatriz Trillo; Fernando López; Enrique Oñate; Miguel A. Esteruelas; José L. Mascareñas","Ruthenium-Catalyzed (2 + 2) Intramolecular Cycloaddition of Allenenes","Journal of the American Chemical Society","2011","133","","7660","7663","10.1021/ja200784n","","x-ray","0.7107","MoKα","","0.0834","0.055","","","0.1081","0.1214","","","","","","1.049","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106146","13.2099","0.0005","8.1963","0.0004","15.3135","0.0006","90","","108.232","0.003","90","","1574.79","0.12","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","LM1MG50B","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Moisés Gulías; Alba Collado; Beatriz Trillo; Fernando López; Enrique Oñate; Miguel A. Esteruelas; José L. Mascareñas","Ruthenium-Catalyzed (2 + 2) Intramolecular Cycloaddition of Allenenes","Journal of the American Chemical Society","2011","133","","7660","7663","10.1021/ja200784n","","x-ray","0.71073","MoKα","","0.0988","0.0556","","","0.1114","0.1306","","","","","","1.029","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106147","9.6615","0.0005","10.1911","0.0006","16.0319","0.0009","90","","104.37","0.002","90","","1529.14","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Moisés Gulías; Alba Collado; Beatriz Trillo; Fernando López; Enrique Oñate; Miguel A. Esteruelas; José L. Mascareñas","Ruthenium-Catalyzed (2 + 2) Intramolecular Cycloaddition of Allenenes","Journal of the American Chemical Society","2011","133","","7660","7663","10.1021/ja200784n","","x-ray","0.7107","MoKα","","0.052","0.0413","","","0.1021","0.1085","","","","","","1.033","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106148","8.2812","0.0013","17.169","0.003","18.399","0.003","62.678","0.002","89.739","0.002","86.387","0.003","2318.6","0.7","176","2","176","2","","","","","","","","6","P -1","-P 1","2","o-phen(1,2-HOPO)2 uranyl complex","","","- C20.13 H18.5 N4 O9.13 S U -","- C20.125 H18.5 N4 O9.125 S U -","- C80.5 H74 N16 O36.5 S4 U4 -","4","2","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0654","0.0423","","","0.103","0.1116","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106149","9.7996","0.0014","17.047","0.002","19.03","0.003","102.075","0.002","95.478","0.003","91.56","0.003","3090.9","0.8","154","2","154","2","","","","","","","","6","P -1","-P 1","2","TAM(ophen-1,2-HOPO)2, uranly complex","","","- C58.7 H83.7 N8 O21.85 S0.15 U -","- C58.692 H60 N8 O21.846 S0.154 U -","- C117.384 H120 N16 O43.692 S0.308 U2 -","2","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0753","0.0538","","","0.1268","0.1364","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106150","17.625","0.004","23.731","0.005","26.021","0.005","90","","90","","90","","10884","4","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","TAM(ophen12HOPO)2 uranyl complex","","","- C50 H66 N8 O17 S U -","- C50 H66 N8 O17 S U -","- C400 H528 N64 O136 S8 U8 -","8","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0623","0.0331","","","0.0752","0.0842","","","","","","1.214","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106151","9.26","0.0015","13.259","0.002","23.405","0.004","79.417","0.002","86.227","0.002","88.558","0.002","2818.4","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","TAM(ophen-1,2-HOPO)2, uranyl complex","","","- C53 H78 N8 O22 U -","- C40 H48 N8 O14 U -","- C80 H96 N16 O28 U2 -","2","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0723","0.0479","","","0.1047","0.1106","","","","","","0.94","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106152","9.6429","0.0014","13.33","0.002","18.927","0.004","110.241","0.003","102.292","0.003","93.606","0.002","2205.4","0.7","135","2","135","2","","","","","","","","6","P -1","-P 1","2","TAM(o-phen-1,2-HOPO)2, uranyl complex","","","- C42 H50 N8 O13 S U -","- C42 H50 N8 O13 S U -","- C84 H100 N16 O26 S2 U2 -","2","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0759","0.0486","","","0.1123","0.1263","","","","","","1.017","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106153","17.686","0.003","17.686","0.003","14.605","0.003","90","","90","","90","","4568.4","1.4","144","2","144","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","TAM(en-3,2-HOPO)2 uranyl complex","","","- C40 H60 N8 O14 U -","- C40 H60 N8 O14 U -","- C160 H240 N32 O56 U4 -","4","0.5","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0395","0.0298","","","0.0616","0.0638","","","","","","1.032","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106154","16.97","0.002","12.5873","0.0018","22.161","0.003","90","","108.948","0.002","90","","4477.2","1","152","2","152","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TAM(o-phen-3,2-HOPO)2 uranyl complex","","","- C44 H56 N8 O14 U -","- C44 H56 N8 O14 U -","- C176 H224 N32 O56 U4 -","4","0.5","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0302","0.0253","","","0.0571","0.058","","","","","","1.057","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106155","13.2979","0.001","32.381","0.002","7.3838","0.0006","90","","90","","90","","3179.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H43 N O8 -","- C31 H41 N O8 -","- C124 H164 N4 O32 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","1.54178","CuKα","","0.1067","0.0918","","","0.1943","0.2094","","","","","","1.151","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106156","12.015","0.002","12.534","0.002","16.724","0.003","90","","90","","90","","2518.6","0.7","205","2","205","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ryan","","","- C26 H39 N O7 -","- C26 H39 N O7 -","- C104 H156 N4 O28 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","0.71073","MoKα","","0.1123","0.0997","","","0.2211","0.2278","","","","","","1.257","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106157","33.877","0.002","7.2517","0.0005","9.6664","0.0006","90","","92.05","0.001","90","","2373.2","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","0.71073","MoKα","","0.041","0.039","","","0.0997","0.1011","","","","","","1.059","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106158","50.5101","0.0015","13.0198","0.0002","30.8241","0.001","90","","123.84","0.004","90","","16836.9","1.1","183","2","183","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","Bis[(μ~2~-deuterido)-bromo-(9,9-dimethyl-4,5-bis(diphenylphosphino)-9-\ silaxanthene-P,P')-nitrosyl-rhenium(I)] benzene dichloromethane solvate","","- C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8 -","- C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8 -","- C636 H556 Br16 Cl32 D16 N16 O32 P32 Re16 Si16 -","2","0.25","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.088","0.0487","","","0.1431","0.1517","","","","","","0.941","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106159","19.7393","0.0003","9.2862","0.0001","19.8067","0.0003","90","","108.782","0.002","90","","3437.3","0.09","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bromo-(η^2^-ethylene)-hydrido-(10,11-dihydro-4,5-bis(diphenylphosphino)dibenzo[b,f]oxepine)-nitrosyl-rhenium(I)","","- C40 H35 Br N O2 P2 Re -","- C40 H35 Br N O2 P2 Re -","- C160 H140 Br4 N4 O8 P8 Re4 -","4","1","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.0432","0.0274","","","0.0538","0.0554","","","","","","0.934","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106160","18.0902","0.0001","9.6663","0.0001","20.1922","0.0002","90","","93.795","0.001","90","","3523.17","0.05","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromo-(η^2^-ethylene)-(9,9-dimethyl-4,5-(diphenylphosphino)(diphenyl-o-phenylene-phosphino)-9-silaxanthene-P,P')-nitrosyl-rhenium(I)","","- C40 H35 Br N O2 P2 Re Si -","- C40 H35 Br N O2 P2 Re Si -","- C160 H140 Br4 N4 O8 P8 Re4 Si4 -","4","1","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.0333","0.0226","","","0.0449","0.046","","","","","","0.946","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106161","9.8141","0.0001","15.7671","0.0002","23.1408","0.0003","90","","93.946","0.001","90","","3572.32","0.07","183","2","183","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bromo-(η2-ethylene)-(9,9-dimethyl-4,5-(diphenylphosphino)(diphenyl-o-phenylene-phosphino)-9-silaxanthene-P,P')-nitrosyl-rhenium(I)","","- C40 H35 Br N O2 P2 Re Si -","- C40 H35 Br N O2 P2 Re Si -","- C160 H140 Br4 N4 O8 P8 Re4 Si4 -","4","1","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.0475","0.0295","","","0.0665","0.0689","","","","","","0.985","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106162","12.1375","0.0002","14.889","0.0002","17.783","0.0002","90","","98.118","0.001","90","","3181.46","0.08","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis[(μ~2~-hydrido)-bromo-(1,1'-bis(diisopropylphosphino)ferrocene-P,P')-nitrosyl-rhenium(I) benzene solvate","","- C62 H92 Br2 Fe2 N2 O2 P4 Re2 -","- C62 H92 Br2 Fe2 N2 O2 P4 Re2 -","- C124 H184 Br4 Fe4 N4 O4 P8 Re4 -","2","0.5","","Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke","Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations","Journal of the American Chemical Society","2011","133","","8168","8178","10.1021/ja107245k","","","0.71073","MoKα","","0.046","0.0395","","","0.117","0.1185","","","","","","1.183","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106163","9.6581","0.0003","11.809","0.0005","12.4453","0.0005","86.483","0.001","88.47","0.001","76.059","0.001","1374.91","0.09","273.2","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 O6 Ru2 -","- C26 H30 N4 O6 Ru2 -","- C52 H60 N8 O12 Ru4 -","2","1","","Nao Hasegawa; Valentine Charra; Satoshi Inoue; Yoshiya Fukumoto; Naoto Chatani","Highly Regioselective Carbonylation of Unactivated C(sp3)-H Bonds by Ruthenium Carbonyl","Journal of the American Chemical Society","2011","133","","8070","8073","10.1021/ja2001709","","","0.7107","MoKα","","","0.0427","","","","0.1277","","","","","","1.527","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106164","12.9197","0.0003","12.9197","0.0003","9.8491","0.0004","90","","90","","90","","1644","0.09","293","2","120","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C20.4 Co4 F O24.04 P6 -","- C20.4 Co4 F O24.04 P6 -","- C40.8 Co8 F2 O48.08 P12 -","2","0.25","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.103","0.0664","","","0.1548","0.1796","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106165","9.346","0.0003","8.0993","0.0004","9.31","0.0005","90","","99.565","0.003","90","","694.93","0.06","293","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Co3 F4 H8 N2 O12 P4 -","- Co3 F4 H8 N2 O12 P4 -","- Co6 F8 H16 N4 O24 P8 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0717","0.054","","","0.104","0.1134","","","","","","1.097","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106166","7.1286","0.0005","14.455","0.0009","7.5552","0.0004","90","","106.741","0.004","90","","745.52","0.08","293","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F9 Fe4 H12 N3 O8 P2 -","- F9 Fe4 H9 N3 O8 P2 -","- F18 Fe8 H18 N6 O16 P4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.1778","0.107","","","0.1879","0.2258","","","","","","1.118","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106167","12.953","0.0005","10.6466","0.0003","6.4469","0.0003","90","","90","","90","","889.06","0.06","293","2","120","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C H6 F Fe N O4 P -","- C F Fe N0.65 O4 P -","- C8 F8 Fe8 N5.2 O32 P8 -","8","1","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0868","0.0789","","","0.1764","0.1795","","","","","","1.397","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106168","5.3999","0.0002","13.1644","0.0006","7.4117","0.0003","90","","107.501","0.003","90","","502.48","0.04","293","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F3 H4 Mn N O3 P -","- F3 H4 Mn N O3 P -","- F12 H16 Mn4 N4 O12 P4 -","4","1","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0344","0.0294","","","0.0737","0.0782","","","","","","0.928","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106169","7.7805","0.0008","8.0834","0.001","8.1265","0.0007","90","","97.343","0.007","90","","506.91","0.09","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- F6 Mn2 Na4 O7 P2 -","- F6 Mn2 Na4 O7 P2 -","- F12 Mn4 Na8 O14 P4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.1053","0.0641","","","","0.1353","","","","","","1.063","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106170","7.8246","0.0007","9.494","0.0008","9.1169","0.0008","90","","94.87","0.005","90","","674.82","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cu3 F4 H8 N2 O12 P4 -","- Cu3 F4 H8 N2 O12 P4 -","- Cu6 F8 H16 N4 O24 P8 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0781","0.0553","","","0.1041","0.1152","","","","","","1.104","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106171","7.7491","0.0004","9.4344","0.0005","9.2186","0.0004","90","","95.186","0.004","90","","671.2","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu3 F4 O12 P4 Rb2 -","- Cu3 F4 O12 P4 Rb2 -","- Cu6 F8 O24 P8 Rb4 -","2","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.143","0.0911","","","0.1628","0.1904","","","","","","1.111","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106172","18.972","0.0007","7.4973","0.0004","7.7663","0.0003","90","","103.629","0.002","90","","1073.56","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F6 K O8 P3 -","- Cu3 F6 K O8 P3 -","- Cu12 F24 K4 O32 P12 -","4","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0631","0.0469","","","0.0935","0.1014","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106173","19.0898","0.0005","7.5722","0.0003","7.8191","0.0002","90","","103.683","0.002","90","","1098.19","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu3 F6 O8 P3 Rb -","- Cu3 F6 O8 P3 Rb -","- Cu12 F24 O32 P12 Rb4 -","4","0.5","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0311","0.0272","","","0.0709","0.0756","","","","","","0.639","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106174","9.9678","0.0003","22.5433","0.0007","20.4289","0.0006","90","","101.644","0.0017","90","","4496.1","0.2","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H17 Cl3 -","- C154 H36 Cl12 -","- C308 H72 Cl24 -","2","0.5","","Ying Zhang; Yutaka Matsuo; Chang-Zhi Li; Hideyuki Tanaka; Eiichi Nakamura","A Scalable Synthesis of Methano[60]fullerene and Congeners by the Oxidative Cyclopropanation Reaction of Silylmethylfullerene","Journal of the American Chemical Society","2011","133","","8086","8089","10.1021/ja201267t","","","1.54187","CuKα","","","0.1618","","","","0.4554","","","","","","2.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106175","9.8789","0.0003","16.4178","0.0005","24.5759","0.0007","90","","100.117","0.0018","90","","3924","0.2","123.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C75 H14 S2 -","- C150 H28 S4 -","- C300 H56 S8 -","2","0.5","","Ying Zhang; Yutaka Matsuo; Chang-Zhi Li; Hideyuki Tanaka; Eiichi Nakamura","A Scalable Synthesis of Methano[60]fullerene and Congeners by the Oxidative Cyclopropanation Reaction of Silylmethylfullerene","Journal of the American Chemical Society","2011","133","","8086","8089","10.1021/ja201267t","","","1.54187","CuKα","","","0.0952","","","","0.304","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106176","15.726","0.006","15.726","0.006","24.027","0.01","90","","90","","120","","5146","4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","[HL]2Fe6, 6C6H6","","","- C82 H80 Fe6 N12 -","- C82 H79.98 Fe6 N12 -","- C246 H239.94 Fe18 N36 -","3","0.166667","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.103","0.0558","","","0.1171","0.1387","","","","","","1.02","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106177","10.207","0.004","11.848","0.004","12.43","0.005","95.754","0.006","93.572","0.006","109.697","0.005","1400.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Na(Et2O)2(NCMe)2][(HL)2Fe6]","","","- C58 H74 Fe6 N14 Na O2 -","- C58 H74 Fe6 N14 Na O2 -","- C58 H74 Fe6 N14 Na O2 -","1","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.0829","0.0486","","","0.1027","0.1159","","","","","","1.035","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106178","10.089","0.007","11.036","0.008","25.286","0.018","90","","98.095","0.015","90","","2787","3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","[(HL)2Fe6(NCMe)2]PF6","","","- C54 H60 F6 Fe6 N16 P -","- C54 H60 F6 Fe6 N16 P -","- C108 H120 F12 Fe12 N32 P2 -","2","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.1558","0.0932","","","0.2412","0.2792","","","","","","1.102","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106179","22.5059","0.0009","16.189","0.0006","18.8404","0.0006","90","","94.854","0.002","90","","6839.8","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[(HL)2Fe6(NCMe)4][PF6]2","","","- C62 H76 F12 Fe6 N16 O2 P2 -","- C62 H76 F12 Fe6 N16 O2 P2 -","- C248 H304 F48 Fe24 N64 O8 P8 -","4","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.0867","0.066","","","0.1593","0.1706","","","","","","1.093","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106180","13.01","0.006","16.993","0.007","17.914","0.008","90","","92.74","0.03","90","","3956","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(HL)2Fe6(NCMe)6][PF6]3","","","- C66 H78 F18 Fe6 N20 O P3 -","- C66 H78 F18 Fe6 N20 O P3 -","- C132 H156 F36 Fe12 N40 O2 P6 -","2","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.1452","0.0765","","","0.1967","0.2512","","","","","","1.102","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106181","24.607","0.004","15.053","0.003","21.417","0.004","90","","110.316","0.003","90","","7440","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(HL)2Fe6(NCMe)6][PF6]4","","","- C62 H72 F24 Fe6 N20 P4 -","- C62 H72 F24 Fe6 N20 P4 -","- C248 H288 F96 Fe24 N80 P16 -","4","0.5","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.0625","0.0413","","","0.1002","0.1121","","","","","","1.031","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106182","8.7877","0.0004","18.0777","0.0011","9.095","0.0005","90","","94.787","0.004","90","","1439.8","0.14","100","","100","","","","","","","","methanol","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl2 Cu N -","- C15 H14 Cl2 Cu N -","- C60 H56 Cl8 Cu4 N4 -","4","1","","Ester Böeß; Devarajulu Sureshkumar; Abhishek Sud; Cornelia Wirtz; Christophe Farès; Martin Klußmann","Mechanistic Studies on a Cu-Catalyzed Aerobic Oxidative Coupling Reaction with N-Phenyl Tetrahydroisoquinoline: Structure of Intermediates and the Role of Methanol As a Solvent","Journal of the American Chemical Society","2011","133","","8106","8109","10.1021/ja201610c","","","0.71073","MoKα","","0.0521","0.0345","","","0.1049","0.1259","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106183","10.0417","0.0012","10.888","0.002","13.8614","0.0017","90","","94.803","0.009","90","","1510.2","0.4","100","","100","","","","","","","","methanole","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br2 Cu N -","- C15 H14 Br2 Cu N -","- C60 H56 Br8 Cu4 N4 -","4","1","","Ester Böeß; Devarajulu Sureshkumar; Abhishek Sud; Cornelia Wirtz; Christophe Farès; Martin Klußmann","Mechanistic Studies on a Cu-Catalyzed Aerobic Oxidative Coupling Reaction with N-Phenyl Tetrahydroisoquinoline: Structure of Intermediates and the Role of Methanol As a Solvent","Journal of the American Chemical Society","2011","133","","8106","8109","10.1021/ja201610c","","","0.71073","MoKα","","0.1294","0.0631","","","0.107","0.1284","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106184","13.7224","0.0006","17.4566","0.0008","20.4323","0.0009","112.125","0.002","103.554","0.002","96.384","0.003","4298.3","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C79 H49 B F24 Fe2 N O4 P2 S2 -","- C79 H49 B F24 Fe2 N O4 P2 S2 -","- C158 H98 B2 F48 Fe4 N2 O8 P4 S4 -","2","1","","James M. Camara; Thomas B. Rauchfuss","Mild Redox Complementation Enables H2 Activation by [FeFe]-Hydrogenase Models","Journal of the American Chemical Society","2011","133","","8098","8101","10.1021/ja201731q","","","0.71073","MoKα","","0.0636","0.0427","","","0.0998","0.1068","","","","","","1.029","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106185","18.5892","0.0003","18.5892","0.0003","5.4184","0.0012","90","","90","","120","","1621.5","0.4","293","2","293","2","","","","","","","","3","P -3","-P 3","147","1,6-bis-(4-hydroxyphenyl)-3-hexen-1,5-diyne","","","- C24 H24 O2 -","- C24 H24 O2 -","- C72 H72 O6 -","3","0.5","","Ana Pérez; José Luis Serrano; Teresa Sierra; Alfredo Ballesteros; Diana de Saá; José Barluenga","Control of Self-Assembly of a 3-Hexen-1,5-diyne Derivative: Toward Soft Materials with an Aggregation-Induced Enhancement in Emission","Journal of the American Chemical Society","2011","133","","8110","8113","10.1021/ja2018898","","","1.54184","CuKα","","0.0984","0.07","","","0.2007","0.2357","","","","","","0.925","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106186","12.8443","0.0011","16.7085","0.0015","24.735","0.002","90","","104.723","0.002","90","","5134.1","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl2 F24 N4 O8 P4 Rh2 -","- C28 H40 Cl2 F24 N4 O8 P4 Rh2 -","- C112 H160 Cl8 F96 N16 O32 P16 Rh8 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex","Journal of the American Chemical Society","2011","133","","8114","8117","10.1021/ja201972v","","","0.71073","MoKα","","0.0468","0.0368","","","0.0883","0.0958","","","","","","1.045","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106187","12.7491","0.0012","19.59","0.0018","21.03","0.002","90","","98.354","0.002","90","","5196.6","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl4 F24 N4 O8 P4 Rh2 -","- C28 H40 Cl4 F24 N4 O8 P4 Rh2 -","- C112 H160 Cl16 F96 N16 O32 P16 Rh8 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex","Journal of the American Chemical Society","2011","133","","8114","8117","10.1021/ja201972v","","","0.71073","MoKα","","0.0506","0.0346","","","0.0757","0.0845","","","","","","1.06","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106188","44.021","0.003","11.0442","0.0007","25.8534","0.0016","90","","120.892","0.001","90","","10786.2","1.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H47.5 Cl3 F24 N4 O8 P4 Rh2 -","- C31 H47.5 Cl3 F24 N4 O8 P4 Rh2 -","- C248 H380 Cl24 F192 N32 O64 P32 Rh16 -","8","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Oxygen Reduction to Water Mediated by a Dirhodium Hydrido-Chloride Complex","Journal of the American Chemical Society","2011","133","","8114","8117","10.1021/ja201972v","","","0.71073","MoKα","","0.0372","0.029","","","0.0702","0.0758","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106189","7.293","0.0015","10.03","0.002","12.207","0.002","85.06","0.03","77.13","0.03","87.58","0.03","867","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 Cl3 N O4 -","- C16 H12 Cl3 N O4 -","- C32 H24 Cl6 N2 O8 -","2","2","","K. C. Nicolaou; Nicholas L. Simmons; Yongcheng Ying; Philipp M. Heretsch; Jason S. Chen","Enantioselective Dichlorination of Allylic Alcohols","Journal of the American Chemical Society","2011","133","","8134","8137","10.1021/ja202555m","","","0.71073","MoKα","","0.0699","0.0614","","","0.1752","0.1826","","","","","","1.11","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106190","4.945","0.001","6.6101","0.0013","14.853","0.003","88.98","0.03","81.05","0.03","77.28","0.03","467.75","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Cl2 N O5 -","- C18 H17 Cl2 N O5 -","- C18 H17 Cl2 N O5 -","1","1","","K. C. Nicolaou; Nicholas L. Simmons; Yongcheng Ying; Philipp M. Heretsch; Jason S. Chen","Enantioselective Dichlorination of Allylic Alcohols","Journal of the American Chemical Society","2011","133","","8134","8137","10.1021/ja202555m","","","0.71073","MoKα","","0.0334","0.0321","","","0.0774","0.0785","","","","","","1.111","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106191","18.3756","0.0011","14.6058","0.0009","22.0886","0.0013","90","","111.729","0.001","90","","5507.1","0.6","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(kN-Acetonitrile)(h5-cyclopentadienyl)(kP-2-diphenyl- phosphanyl-6-(2,4,6-triphenylphenyl)pyridine)- (kP-tributylphosphine)ruthenium(II) hexafluorophosphate","","- C60 H65 F6 N2 P3 Ru -","- C60 H65 F6 N2 P3 Ru -","- C240 H260 F24 N8 P12 Ru4 -","4","1","","Florian Boeck; Thomas Kribber; Li Xiao; Lukas Hintermann","Mixed Phosphane η5-CpRuCl(PR3)2 Complexes as Ambifunctional Catalysts for Anti-Markovnikov Hydration of Terminal Alkynes","Journal of the American Chemical Society","2011","133","","8138","8141","10.1021/ja2026823","","x-ray","0.71073","MoKα","","0.106","0.0532","","","0.106","0.1234","","","","","","0.884","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106192","8.0469","0.0008","16.2859","0.0016","10.5311","0.001","90","","106.797","0.003","90","","1321.2","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br N2 O4 -","- C30 H27 Br N2 O4 -","- C60 H54 Br2 N4 O8 -","2","1","","Jun Jiang; Hua-Dong Xu; Jian-Bei Xi; Bai-Yan Ren; Feng-Ping Lv; Xin Guo; Li-Qin Jiang; Zhi-Yong Zhang; Wen-Hao Hu","Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines","Journal of the American Chemical Society","2011","133","","8428","8431","10.1021/ja201589k","","","0.71073","MoKα","","0.0536","0.037","","","0.074","0.0814","","","","","","1.019","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106193","8.5528","0.0003","14.2736","0.0005","11.6894","0.0004","90","","102.228","0.001","90","","1394.66","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H29 Br N2 O5 -","- C31 H29 Br N2 O5 -","- C62 H58 Br2 N4 O10 -","2","1","","Jun Jiang; Hua-Dong Xu; Jian-Bei Xi; Bai-Yan Ren; Feng-Ping Lv; Xin Guo; Li-Qin Jiang; Zhi-Yong Zhang; Wen-Hao Hu","Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines","Journal of the American Chemical Society","2011","133","","8428","8431","10.1021/ja201589k","","","0.71073","MoKα","","0.0258","0.0241","","","0.0614","0.0622","","","","","","1.058","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106194","12.581","0.002","16.682","0.003","21.338","0.004","108.511","0.003","90.726","0.003","112","0.003","3893.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H62 F6 Fe N6 O7 S2 -","- C94 H62 F6 Fe N6 O7.177 S2 -","- C188 H124 F12 Fe2 N12 O14.354 S4 -","2","1","","Yasuhiro Nishikawa; Hisashi Yamamoto","Iron-Catalyzed Asymmetric Epoxidation of β,β-Disubstituted Enones","Journal of the American Chemical Society","2011","133","","8432","8435","10.1021/ja201873d","","","0.71073","MoKα","","0.1084","0.0632","","","0.1515","0.1684","","","","","","0.897","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106195","15.5224","0.0006","14.0036","0.0005","17.1234","0.0006","90","","90","","90","","3722.1","0.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","[SiPipr2SAd]FeCl","","","- C40 H55 Cl Fe P2 S Si -","- C40 H55 Cl Fe P2 S Si -","- C160 H220 Cl4 Fe4 P8 S4 Si4 -","4","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0406","0.0351","","","0.0853","0.0887","","","","","","1.021","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106196","16.5522","0.0007","15.7697","0.0006","28.0672","0.0011","90","","102.447","0.002","90","","7154","0.5","296","2","296","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","[SiPipr2SAd]FeN2BArF","","","- C72 H67 B Cl F24 Fe N2 P2 S Si -","- C72 H63 B F24 Fe N2 P2 S Si -","- C288 H252 B4 F96 Fe4 N8 P8 S4 Si4 -","4","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0835","0.0547","","","0.1339","0.1503","","","","","","1.022","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106197","27.2245","0.0006","27.2245","0.0006","13.8202","0.0004","90","","90","","90","","10243.2","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","[SiPipr2SAd]FeCp","","","- C96 H120 Fe2 O P4 S2 Si4 -","- C96 H120 Fe2 O P4 S2 Si4 -","- C384 H480 Fe8 O4 P16 S8 Si16 -","4","0.5","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0612","0.0498","","","0.1376","0.1455","","","","","","1.077","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106198","12.2792","0.0014","18.8853","0.0018","14.6011","0.0019","90","","90.993","0.008","90","","3385.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[[SiPipr2S]Fe]2","","","- C70 H104 Fe2 P4 S2 Si2 -","- C70 H52 Fe2 P4 S2 Si2 -","- C140 H104 Fe4 P8 S4 Si4 -","2","0.5","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.2502","0.1426","","","0.3305","0.3619","","","","","","1.613","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106199","11.0806","0.0005","13.0186","0.0006","19.1039","0.0008","93.752","0.001","105.59","0.001","91.585","0.001","2645.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[SiPiprSAd2]Fe(H)(N2)","","","- C58 H80 Fe N2 P S2 Si -","- C58 H79.144 Fe N2 P S2 Si -","- C116 H158.288 Fe2 N4 P2 S4 Si2 -","2","1","","Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters","Dinitrogen Complexes of Sulfur-Ligated Iron","Journal of the American Chemical Society","2011","133","","8440","8443","10.1021/ja2020907","","","0.71073","MoKα","","0.0926","0.0579","","","0.1453","0.1598","","","","","","1.161","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106200","7.1862","0.0003","11.0021","0.0005","27.7885","0.0013","90","","90","","90","","2197.05","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C22H29BrN2O2","","","- C22 H29 Br N2 O2 -","- C22 H29 Br N2 O2 -","- C88 H116 Br4 N8 O8 -","4","1","","Sarah E. Wengryniuk; Daniel Lim; Don M. Coltart","Regioselective Asymmetric α,α-Bisalkylation of Ketones via Complex-Induced Syn-Deprotonation of Chiral N-Amino Cyclic Carbamate Hydrazones","Journal of the American Chemical Society","2011","133","","8714","8720","10.1021/ja202267k","","","0.71073","MoKα","","0.1181","0.0568","","","0.1446","0.1776","","","","","","1.022","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106201","6.735","0.001","10.415","0.002","31.635","0.004","90","","90","","90","","2219","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C23H29BrN2O2","","","- C23 H29 Br N2 O2 -","- C23 H29 Br N2 O2 -","- C92 H116 Br4 N8 O8 -","4","1","","Sarah E. Wengryniuk; Daniel Lim; Don M. Coltart","Regioselective Asymmetric α,α-Bisalkylation of Ketones via Complex-Induced Syn-Deprotonation of Chiral N-Amino Cyclic Carbamate Hydrazones","Journal of the American Chemical Society","2011","133","","8714","8720","10.1021/ja202267k","","","0.71073","MoKα","","0.0538","0.0357","","","0.0805","0.0878","","","","","","1.035","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106202","32.205","0.006","12.094","0.002","22.004","0.004","90","","125.94","0.03","90","","6939","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H28.5 Ag2 F4.5 N8 O4.5 S1.5 -","- C28.5 H28.5 Ag2 F4.5 N8 O4.5 S1.5 -","- C228 H228 Ag16 F36 N64 O36 S12 -","8","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed Synthesis of Metal Cluster-Centered Pseudo-Rotaxane Supramolecular Architectures","Journal of the American Chemical Society","2011","133","","8448","8451","10.1021/ja202294v","","","0.71073","MoKα","","0.0877","0.0778","","","0.2045","0.2171","","","","","","1.154","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106203","17.278","0.004","18.822","0.004","27.281","0.006","99.56","0.03","107.48","0.03","91.06","0.03","8323","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H108 Ag8 F18 N32 O18 S6 -","- C128 H108 Ag8 F18 N32 O18 S6 -","- C256 H216 Ag16 F36 N64 O36 S12 -","2","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Designed Synthesis of Metal Cluster-Centered Pseudo-Rotaxane Supramolecular Architectures","Journal of the American Chemical Society","2011","133","","8448","8451","10.1021/ja202294v","","","0.71073","MoKα","","0.1273","0.0946","","","0.2633","0.2912","","","","","","1.008","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106204","6.259","0.003","7.569","0.003","20.826","0.009","90","0.001","92.781","0.001","90","0.001","985.5","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","DATT","","- C30 H16 S2 -","- C30 H16 S2 -","- C60 H32 S4 -","2","1","","Kazuki Niimi; Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Kazuo Takimiya","Dianthra[2,3-b:2',3'-f]thieno[3,2-b]thiophene (DATT): Synthesis, Characterization, and FET Characteristics of New π-Extended Heteroarene with Eight Fused Aromatic Rings","Journal of the American Chemical Society","2011","133","","8732","8739","10.1021/ja202377m","","","0.7107","MoKα","","0.0643","0.0595","","","0.142","0.1473","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106205","15.122","0.002","15.122","0.002","13.83","0.004","90","","90","","90","","3162.6","1.1","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C44 H32 N4 O -","- C44 H32 N4 O -","- C176 H128 N16 O4 -","4","0.25","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0557","0.0367","","","0.078","0.0844","","","","","","1.03","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106206","11.2363","0.0006","13.2294","0.0007","13.461","0.0007","92.94","0.001","103.856","0.001","112.928","0.001","1765.71","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 N4 Ni O3 -","- C46 H34 N4 Ni O3 -","- C92 H68 N8 Ni2 O6 -","2","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0532","0.047","","","0.1288","0.1332","","","","","","1.071","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106207","21.0637","0.0018","20.4454","0.0018","25.047","0.002","90","","90","","90","","10786.6","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H50 N4 Ni O3 -","- C70 H50 N4 Ni O3 -","- C560 H400 N32 Ni8 O24 -","8","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0555","0.0442","","","0.1137","0.1257","","","","","","1.038","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106208","12.642","0.006","15.09","0.007","19.894","0.009","100.214","0.006","104.401","0.007","98.271","0.006","3547","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 N5 Ni O -","- C45 H27 N5 Ni O -","- C180 H108 N20 Ni4 O4 -","4","2","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.1329","0.0741","","","0.1638","0.1847","","","","","","0.925","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106209","9.6674","0.001","11.3608","0.0011","19.2435","0.0019","77.098","0.002","81.46","0.002","81.878","0.002","2024.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H40 N4 O2 -","- C57 H40 N4 O2 -","- C114 H80 N8 O4 -","2","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.1357","0.1033","","","0.2236","0.2395","","","","","","1.234","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106210","13.721","0.002","20.203","0.003","25.633","0.005","90","","102.309","0.002","90","","6942","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C46 H36 N4 O2 -","- C46 H36 N4 O2 -","- C368 H288 N32 O16 -","8","2","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0778","0.0556","","","0.1422","0.1571","","","","","","1.032","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106211","14.9159","0.0014","14.9159","0.0014","14.128","0.003","90","","90","","90","","3143.3","0.8","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H30 N4 Ni O -","- C44 H30 N4 Ni O -","- C176 H120 N16 Ni4 O4 -","4","0.25","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0362","0.0288","","","0.0629","0.0657","","","","","","1.027","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106212","10.491","0.001","10.657","0.001","13.007","0.001","96.564","0.003","103.027","0.003","110.125","0.003","1300.7","0.2","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 F3 N2 O2 Si -","- C28 H29 F3 N2 O2 Si -","- C56 H58 F6 N4 O4 Si2 -","2","1","","Naoya Shindoh; Kazuo Kitaura; Yoshiji Takemoto; Kiyosei Takasu","Catalyst-Controlled Torquoselectivity Switch in the 4π Ring-Opening Reaction of 2-Amino-2-azetines Giving β-Substituted α,β-Unsaturated Amidines","Journal of the American Chemical Society","2011","133","","8470","8473","10.1021/ja202576e","","","0.7107","MoKα","","","0.077","","","","0.112","","","","","","0.875","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106213","22.1032","0.0009","14.2805","0.0006","25.7699","0.0011","90","","115.251","0.002","90","","7356.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 N2 O3 Ru -","- C37 H50 N2 O3 Ru -","- C296 H400 N16 O24 Ru8 -","8","2","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.1101","0.0766","","","0.1001","0.1014","","","","","","2.485","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106214","15.8871","0.0007","8.2831","0.0004","24.9853","0.0011","90","","100.885","0.002","90","","3228.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl4 N2 O Ru -","- C33 H44 Cl4 N2 O Ru -","- C132 H176 Cl16 N8 O4 Ru4 -","4","1","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.0405","0.028","","","0.0498","0.0508","","","","","","1.522","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106215","17.8996","0.0009","15.312","0.0007","24.1534","0.0012","90","","90","","90","","6619.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H46 N2 O3 Ru -","- C36 H46 N2 O3 Ru -","- C288 H368 N16 O24 Ru8 -","8","1","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.0514","0.0296","","","0.0483","0.0493","","","","","","2.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106216","6.6184","0.0006","8.4914","0.0007","28.927","0.003","90","","90","","90","","1625.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","VRT-2-160","toste44","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Vivek Rauniyar; Z. Jane Wang; Heather E. Burks; F. Dean Toste","Enantioselective Synthesis of Highly Substituted Furans by a Copper(II)-Catalyzed Cycloisomerization-Indole Addition Reaction","Journal of the American Chemical Society","2011","133","","8486","8489","10.1021/ja202959n","","","1.54178","CuKα","","0.026","0.0259","","","0.0668","0.0669","","","","","","1.059","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106217","35.414","0.004","12.6212","0.0014","9.2922","0.001","90","","95.497","0.005","90","","4134.2","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48.3 H43.3 N2 O13 -","- C48.28 H43.28 N2 O13 -","- C193.12 H173.12 N8 O52 -","4","0.5","","Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge","Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding","Journal of the American Chemical Society","2011","133","","8490","8493","10.1021/ja203001z","","","0.71073","MoKα","","0.0925","0.0574","","","0.1392","0.1587","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106218","36.557","0.004","12.51","0.0014","9.2151","0.001","90","","96.781","0.005","90","","4184.8","0.8","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47.4 H45.58 N2 O13.4 -","- C47.396 H40 N2 O13.396 -","- C189.584 H160 N8 O53.584 -","4","0.5","","Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge","Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding","Journal of the American Chemical Society","2011","133","","8490","8493","10.1021/ja203001z","","","0.71073","MoKα","","0.1284","0.0572","","","0.1223","0.1522","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106219","9.4628","0.001","14.493","0.0015","16.21","0.0017","99.907","0.005","98.249","0.005","90.148","0.005","2166.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H48 N2 O15 -","- C47 H36 N2 O15 -","- C94 H72 N4 O30 -","2","1","","Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge","Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding","Journal of the American Chemical Society","2011","133","","8490","8493","10.1021/ja203001z","","","0.71073","MoKα","","0.1719","0.1067","","","0.2815","0.3246","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106220","17.7779","0.0001","12.4782","0.0001","35.9708","0.0003","90","","90.565","0.0003","90","","7979.24","0.1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H71 B2 F24 N P2 Ru -","- C85 H71 B2 F24 N P2 Ru -","- C340 H284 B8 F96 N4 P8 Ru4 -","4","1","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.1072","0.0566","","0.1374","0.1169","0.1374","","","","","","0.9302","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106221","13.2296","0.0002","17.2074","0.0003","17.6001","0.0003","92.5084","0.0007","103.503","0.0006","93.3378","0.0007","3882.45","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H89 B2 F24 N P2 Ru -","- C75 H89 B2 F24 N P2 Ru -","- C150 H178 B4 F48 N2 P4 Ru2 -","2","1","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.0969","0.0735","","0.193","0.1748","0.1929","","","","","","0.9283","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106222","12.8044","0.0002","24.7611","0.0004","22.1693","0.0003","90","","93.5095","0.001","90","","7015.62","0.18","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H70 B F25 N2 P2 Ru -","- C69 H70 B F25 N2 P2 Ru -","- C276 H280 B4 F100 N8 P8 Ru4 -","4","1","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.1407","0.108","","0.3318","0.2855","0.3318","","","","","","0.9759","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106223","13.8216","0.0001","16.9386","0.0001","17.6382","0.0002","61.5593","0.0004","86.4334","0.0004","85.0717","0.0004","3616.56","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C158 H104 B2 F50 N2 P4 Ru2 -","- C158 H104 B2 F50 N2 P4 Ru2 -","- C158 H104 B2 F50 N2 P4 Ru2 -","1","0.5","","Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge","Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+","Journal of the American Chemical Society","2011","133","","8494","8497","10.1021/ja203051d","","","0.71073","MoKα","","0.0675","0.0489","","0.1204","0.1124","0.1203","","","","","","0.9549","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106224","21.6694","0.001","9.9829","0.0005","24.027","0.0011","90","","108.828","0.002","90","","4919.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 Cl2 N5 Ru -","- C54 H67 Cl2 N5 Ru -","- C216 H268 Cl8 N20 Ru4 -","4","1","","Benjamin K. Keitz; Jean Bouffard; Guy Bertrand; Robert H. Grubbs","Protonolysis of a Ruthenium-Carbene Bond and Applications in Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8498","8501","10.1021/ja203070r","","","0.71073","MoKα","","0.052","0.0353","","","0.0597","0.0605","","","","","","2.179","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106225","12.428","0.0005","16.2309","0.0006","32.2578","0.0014","90","","98.835","0.004","90","","6429.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H164 Cl16 N8 Si6 Zr4 -","- C112 H164 Cl16 N8 Si6 Zr4 -","- C224 H328 Cl32 N16 Si12 Zr8 -","2","0.5","","Shigeyoshi Inoue; Jan D. Epping; Elisabeth Irran; Matthias Driess","Formation of a Donor-Stabilized Tetrasilacyclobutadiene Dication by a Lewis Acid Assisted Reaction of an N-Heterocyclic Chloro Silylene","Journal of the American Chemical Society","2011","133","","8514","8517","10.1021/ja2033475","","","0.71073","MoKα","","0.1184","0.0542","","","0.0817","0.0922","","","","","","0.826","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106226","18.3531","0.0004","18.8032","0.0004","26.5436","0.0006","90","","90","","90","","9160.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C113 H81 Cl3 Co2 N8 O4 -","- C113 H81 Cl3 Co2 N8 O4 -","- C452 H324 Cl12 Co8 N32 O16 -","4","1","","Hongjian Lu; Wojciech I. Dzik; Xue Xu; Lukasz Wojtas; Bas de Bruin; X. Peter Zhang","Experimental Evidence for Cobalt(III)-Carbene Radicals: Key Intermediates in Cobalt(II)-Based Metalloradical Cyclopropanation","Journal of the American Chemical Society","2011","133","","8518","8521","10.1021/ja203434c","","","1.54178","CuKα","","0.0929","0.0535","","","0.1063","0.1202","","","","","","1.012","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106227","14.0088","0.0002","14.8434","0.0003","16.4241","0.0003","103.556","0.0007","110.044","0.0009","103.809","0.0007","2922.46","0.1","123","","123","","","","","","","","LOC ETH Zurich","6","P -1","-P 1","2","","","","- C57 H46 B F24 P3 Pt -","- C57 H46 B F24 P3 Pt -","- C114 H92 B2 F48 P6 Pt2 -","2","1","","Daniel Serra; Marc-Etienne Moret; Peter Chen","Transmetalation of Methyl Groups Supported by PtII-AuI Bonds in the Gas Phase, in Silico, and in Solution","Journal of the American Chemical Society","2011","133","","8914","8926","10.1021/ja110405q","","","0.71073","MoKα","","0.0493","0.0405","","","0.1095","0.1209","","","","","","0.882","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106228","12.4804","0.0003","12.9209","0.0004","33.2367","0.0012","86.982","0.002","85.996","0.002","69.5802","0.0012","5008.3","0.3","123","","123","","","","","","","","LOC ETH Zurich","6","P -1","-P 1","2","","","","- C42 H40 B F24 P3 Pt -","- C42 H40 B F24 P3 Pt -","- C168 H160 B4 F96 P12 Pt4 -","4","2","","Daniel Serra; Marc-Etienne Moret; Peter Chen","Transmetalation of Methyl Groups Supported by PtII-AuI Bonds in the Gas Phase, in Silico, and in Solution","Journal of the American Chemical Society","2011","133","","8914","8926","10.1021/ja110405q","","","0.71073","MoKα","","0.1537","0.0811","","","0.175","0.2149","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106229","12.386","0.003","14.009","0.003","14.412","0.003","86.286","0.003","82.757","0.003","69.417","0.003","2321.8","0.9","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H44 Au2 Sb2 -","- C64 H44 Au2 Sb2 -","- C128 H88 Au4 Sb4 -","2","1","","Wade, Casey R.; Lin, Tzu-Pin; Nelson, Ryan C.; Mader, Elizabeth A.; Miller, Jeffrey T.; Gabbaï, François P","Synthesis, Structure, and Properties of a T-Shaped 14-Electron Stiboranyl-Gold Complex","Journal of the American Chemical Society","2011","133","23","8948","8955","10.1021/ja201092g","","","0.71073","MoKα","","0.0506","0.037","","","0.0936","0.1085","","","","","","1.043","","","","has coordinates","219275","2020-10-21","18:00:00",""
"4106230","12.6431","0.0016","15.846","0.002","23.458","0.003","85.612","0.002","83.94","0.002","83.805","0.002","4636","1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Au F N Sb -","- C48 H58 Au F N Sb -","- C192 H232 Au4 F4 N4 Sb4 -","4","2","","Wade, Casey R.; Lin, Tzu-Pin; Nelson, Ryan C.; Mader, Elizabeth A.; Miller, Jeffrey T.; Gabbaï, François P","Synthesis, Structure, and Properties of a T-Shaped 14-Electron Stiboranyl-Gold Complex","Journal of the American Chemical Society","2011","133","23","8948","8955","10.1021/ja201092g","","","0.71073","MoKα","","0.1082","0.0556","","","0.1064","0.1179","","","","","","1.036","","","","has coordinates","219275","2020-10-21","18:00:00",""
"4106231","8.1895","0.0014","5.7464","0.0009","16.269","0.003","90","","97.801","0.005","90","","758.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.0914","0.0535","","","0.1166","0.1303","","","","","","1.14","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106232","7.9911","0.0001","5.5915","0.0001","17.4447","0.0003","90","","91.981","0.001","90","","779","0.02","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.0358","0.0343","","","0.0887","0.0901","","","","","","1.079","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106233","11.94","0.004","5.2913","0.0018","12.294","0.004","90","","94.675","0.016","90","","774.1","0.4","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Vincent N. G. Lindsay; Cyril Nicolas; André B. Charette","Asymmetric Rh(II)-Catalyzed Cyclopropanation of Alkenes with Diacceptor Diazo Compounds: p-Methoxyphenyl Ketone as a General Stereoselectivity Controlling Group","Journal of the American Chemical Society","2011","133","","8972","8981","10.1021/ja201237j","","","1.54178","CuKα","","0.053","0.0416","","","0.1022","0.1138","","","","","","1.03","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106234","12.6363","0.0003","16.863","0.0004","21.4921","0.0005","85.226","0.001","89.14","0.001","68.436","0.001","4243.75","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H110 B4 Br4 -","- C87 H110 B4 Br4 -","- C174 H220 B8 Br8 -","2","1","","Pangkuan Chen; Roger A. Lalancette; Frieder Jäkle","Applying the Oligomer Approach to Luminescent Conjugated Organoboranes","Journal of the American Chemical Society","2011","133","","8802","8805","10.1021/ja201436a","","","1.54178","CuKα","","0.049","0.043","","","0.125","0.129","","","","","","1.07","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106235","11.426","0.002","18.457","0.004","18.34","0.004","90","","90","","90","","3867.7","1.4","93.15","","93.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H10 N O4 Zn -","- C16 H10 N O4 Zn -","- C128 H80 N8 O32 Zn8 -","8","0.5","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.0753","0.0684","","","0.1713","0.1763","","","","","","1.194","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106236","10.885","0.002","10.93","0.002","18.518","0.004","87.42","0.03","84.99","0.03","70.57","0.03","2069.4","0.8","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H35.5 F2 N4.5 O11 Zn2 -","- C40 H32 F2 N4.5 O11 Zn2 -","- C80 H64 F4 N9 O22 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1075","0.0925","","","0.2342","0.2519","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106237","10.865","0.002","10.96","0.002","15.272","0.003","79.28","0.03","83.75","0.03","84.5","0.03","1770.9","0.6","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 F2 N2 O8 Zn2 -","- C32 H18 F2 N2 O8 Zn2 -","- C64 H36 F4 N4 O16 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1457","0.0945","","","0.2363","0.2758","","","","","","1.008","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106238","10.903","0.002","10.96","0.002","14.84","0.003","82.55","0.03","85.61","0.03","88.79","0.03","1753.1","0.6","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H21.5 F2 N2.5 O8.5 Zn2 -","- C33.5 H18 F2 N2.5 O8.5 Zn2 -","- C67 H36 F4 N5 O17 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1411","0.1139","","","0.2844","0.31","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106239","9.845","0.002","10.409","0.002","14.986","0.003","97.76","0.03","91.69","0.03","100.83","0.03","1492.2","0.6","378.15","","378.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 F2 N2 O8 Zn2 -","- C32 H18 F2 N2 O8 Zn2 -","- C64 H36 F4 N4 O16 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.0967","0.0603","","","0.1021","0.1184","","","","","","1.101","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106240","9.824","0.002","10.461","0.002","14.573","0.003","98.19","0.03","95","0.03","102.13","0.03","1438.6","0.6","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 F2 N2 O9 Zn2 -","- C32 H18 F2 N2 O9 Zn2 -","- C64 H36 F4 N4 O18 Zn4 -","2","1","","Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa","Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media","Journal of the American Chemical Society","2011","133","","9005","9013","10.1021/ja201484s","","","0.710747","MoKα","","0.1188","0.0824","","","0.1668","0.1906","","","","","","1.079","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106241","10.5625","0.0003","10.6015","0.0003","11.5129","0.0004","66.132","0.001","65.392","0.001","80.115","0.001","1071.86","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N8 O14 Y2 -","- C40 H46 N8 O14 Y2 -","- C40 H46 N8 O14 Y2 -","1","0.5","","Fatemah Habib; Po-Heng Lin; Jérôme Long; Ilia Korobkov; Wolfgang Wernsdorfer; Muralee Murugesu","The Use of Magnetic Dilution To Elucidate the Slow Magnetic Relaxation Effects of a Dy2 Single-Molecule Magnet","Journal of the American Chemical Society","2011","133","","8830","8833","10.1021/ja2017009","","","0.71073","MoKα","","0.0311","0.0258","","","0.0669","0.0695","","","","","","1.033","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106242","8.557","0.003","8.557","0.003","3.417","0.002","90","","90","","90","","250.2","0.19","140","1","140","1","","","","","","","","2","I 4/m","-I 4","87","","","","- Cl2 Tc -","- Cl2 Tc -","- Cl8 Tc4 -","4","0.25","","Frederic Poineau; Christos D. Malliakas; Philippe F. Weck; Brian L. Scott; Erik V. Johnstone; Paul M. Forster; Eunja Kim; Mercouri G. Kanatzidis; Kenneth R. Czerwinski; Alfred P. Sattelberger","Technetium Dichloride: A New Binary Halide Containing Metal-Metal Multiple Bonds","Journal of the American Chemical Society","2011","133","","8814","8817","10.1021/ja201788m","","","0.71073","MoKα","","0.0312","0.0312","","","0.0989","0.0989","","","","","","1.241","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106243","6.66","0.002","13.081","0.005","8.454","0.003","90","","96.275","0.004","90","","732.1","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br O2 S2 -","- C14 H13 Br O2 S2 -","- C28 H26 Br2 O4 S4 -","2","1","","Zhi-Min Chen; Qing-Wei Zhang; Zhi-Hua Chen; Hui Li; Yong-Qiang Tu; Fu-Min Zhang; Jin-Miao Tian","Organocatalytic Asymmetric Halogenation/Semipinacol Rearrangement: Highly Efficient Synthesis of Chiral α-Oxa-Quaternary β-Haloketones","Journal of the American Chemical Society","2011","133","","8818","8821","10.1021/ja201794v","","","0.71073","MoKα","","0.0648","0.0463","","","0.108","0.1166","","","","","","1.048","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106244","8.42","0.006","12.337","0.008","14.455","0.009","90","","90","","90","","1501.5","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O2 -","- C18 H17 Cl O2 -","- C72 H68 Cl4 O8 -","4","1","","Zhi-Min Chen; Qing-Wei Zhang; Zhi-Hua Chen; Hui Li; Yong-Qiang Tu; Fu-Min Zhang; Jin-Miao Tian","Organocatalytic Asymmetric Halogenation/Semipinacol Rearrangement: Highly Efficient Synthesis of Chiral α-Oxa-Quaternary β-Haloketones","Journal of the American Chemical Society","2011","133","","8818","8821","10.1021/ja201794v","","","0.71073","MoKα","","0.0847","0.0514","","","0.0784","0.0875","","","","","","0.988","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106245","26.2357","0.0008","10.3821","0.0003","16.5816","0.0005","90","","90","","90","","4516.5","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H32 B F20 O P Zr -","- C48 H32 B F20 O P Zr -","- C192 H128 B4 F80 O4 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0252","0.0232","","","0.0585","0.0597","","","","","","1.042","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106246","10.6311","0.0003","14.6798","0.0004","19.5986","0.0006","100.036","0.002","97.928","0.002","109.72","0.002","2770.58","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H54 B F20 O P Zr -","- C58 H54 B F20 O P Zr -","- C116 H108 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0615","0.0454","","","0.1025","0.1095","","","","","","1.081","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106247","10.7432","0.0018","15.051","0.003","18.839","0.003","102.193","0.005","98.131","0.005","93.585","0.005","2934.1","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H64 B2 F20 N O P Zr -","- C61 H64 B2 F20 N O P Zr -","- C122 H128 B4 F40 N2 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","1.54178","CuKα","","0.0331","0.0323","","","0.0909","0.0951","","","","","","1.093","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106248","11.3507","0.0004","17.6657","0.0006","22.8335","0.0008","90","","103.391","0.001","90","","4454","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 B F20 Hf O P -","- C48 H32 B F20 Hf O P -","- C192 H128 B4 F80 Hf4 O4 P4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0231","0.0206","","","0.0563","0.0583","","","","","","1.236","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106249","8.7051","0.0007","21.177","0.002","37.004","0.003","90","","90","","90","","6821.6","1","296.2","","296.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Ru(pynaph)(tpy)(H2O)](PF6)2.2(H2O)","","","- C28 H26 F12 N6 O3 P2 Ru -","- C28 H22 F12 N6 O3 P2 Ru -","- C224 H176 F96 N48 O24 P16 Ru8 -","8","1","","Hirosato Yamazaki; Tomoya Hakamata; Manabu Komi; Masayuki Yagi","Stoichiometric Photoisomerization of Mononuclear Ruthenium(II) Monoaquo Complexes Controlling Redox Properties and Water Oxidation Catalysis","Journal of the American Chemical Society","2011","133","","8846","8849","10.1021/ja2024228","","","0.7107","MoKα","","","0.0928","","","","0.2816","","","","","","1.282","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106250","8.841","0.0008","11.402","0.001","18.571","0.001","102.158","0.005","91.087","0.006","97.925","0.001","1810.4","0.3","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","[Ru(tpy)(PyNaph)(H2O)](PF6)2 - (H2O)(Me2CO)","","","- C31 H30 F12 N6 O3 P2 Ru -","- C31 H30 F12 N6 O3 P2 Ru -","- C62 H60 F24 N12 O6 P4 Ru2 -","2","1","","Hirosato Yamazaki; Tomoya Hakamata; Manabu Komi; Masayuki Yagi","Stoichiometric Photoisomerization of Mononuclear Ruthenium(II) Monoaquo Complexes Controlling Redox Properties and Water Oxidation Catalysis","Journal of the American Chemical Society","2011","133","","8846","8849","10.1021/ja2024228","","","0.7107","MoKα","","","0.0609","","","","0.1734","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106251","17.9641","0.0019","15.9684","0.0015","20.286","0.002","90","","104.115","0.003","90","","5643.5","1","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H34 B2 F30 N2 O2 -","- C55 H34 B2 F30 N2 O2 -","- C220 H136 B8 F120 N8 O8 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0896","0.0645","","","0.1397","0.1483","","","","","","1.075","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106252","12.1229","0.0003","13.3121","0.0004","20.7018","0.0006","90.325","0.001","96.079","0.001","101.622","0.001","3252.74","0.16","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C62 H48 B2 Cl2 F30 N2 O5 -","- C62 H48 B2 Cl2 F30 N2 O5 -","- C124 H96 B4 Cl4 F60 N4 O10 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0751","0.0609","","","0.1745","0.1897","","","","","","1.018","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106253","9.3267","0.0009","14.2507","0.0016","25.681","0.003","91.16","0.006","91.061","0.006","96.927","0.006","3386.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C54 H108 Ca2 N4 O6 Si4 -","- C54 H108 Ca2 N4 O6 Si4 -","- C108 H216 Ca4 N8 O12 Si8 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0672","0.0498","","","0.1422","0.1651","","","","","","1.093","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106254","12.4887","0.0004","14.478","0.0005","18.9052","0.0006","78.553","0.002","80.038","0.002","70.356","0.002","3134.31","0.18","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C61 H44 B2 F30 N2 O5 Zn -","- C61 H44 B2 F30 N2 O5 Zn -","- C122 H88 B4 F60 N4 O10 Zn2 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0839","0.055","","","0.1297","0.1487","","","","","","1.08","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106255","10.0271","0.0003","31.6987","0.0011","17.3268","0.0006","90","","105.854","0.002","90","","5297.8","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H24 B2 F36 N2 O5 Zn -","- C50 H24 B2 F36 N2 O5 Zn -","- C200 H96 B8 F144 N8 O20 Zn4 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0834","0.0395","","","0.0776","0.0927","","","","","","1.017","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106256","10.0154","0.0003","31.596","0.0009","17.2633","0.0004","90","","105.816","0.001","90","","5256.1","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H24 B2 F36 Mg N2 O5 -","- C50 H24 B2 F36 Mg N2 O5 -","- C200 H96 B8 F144 Mg4 N8 O20 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0546","0.0358","","","0.0758","0.0832","","","","","","1.021","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106257","17.2351","0.0008","18.9583","0.0008","40.8891","0.0017","76.723","0.002","86.104","0.002","63.11","0.002","11587.4","0.9","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C203 H102 B8 Ca4 Cl6 F144 N8 O20 -","- C203 H102 B8 Ca4 Cl6 F144 N8 O20 -","- C406 H204 B16 Ca8 Cl12 F288 N16 O40 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.1641","0.0899","","","0.2333","0.2617","","","","","","1.043","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106258","17.2065","0.0007","34.2358","0.0011","39.9013","0.0013","90","","94.874","0.001","90","","23420","1.4","150","2","150","2","","","","","","","synthesis as described","8","C 1 c 1","C -2yc","9","","","","- C203 H102 B8 Cl6 F144 N8 O20 Sr4 -","- C203 H102 B8 Cl6 F144 N8 O20 Sr4 -","- C812 H408 B32 Cl24 F576 N32 O80 Sr16 -","4","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.1117","0.0808","","","0.2061","0.2207","","","","","","1.1","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106259","16.9523","0.0005","19.1265","0.0006","41.6284","0.0014","100.694","0.002","94.116","0.002","114.585","0.001","11891.9","0.7","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C205 H108 B8 Ba4 Cl6 F144 N8 O21 -","- C205 H108 B8 Ba4 Cl6 F144 N8 O21 -","- C410 H216 B16 Ba8 Cl12 F288 N16 O42 -","2","1","","Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier","Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity","Journal of the American Chemical Society","2011","133","","9069","9087","10.1021/ja2024977","","x-ray","0.71073","MoKα","","0.0594","0.049","","","0.114","0.1185","","","","","","1.058","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106260","21.341","0.004","7.8924","0.0015","11.615","0.002","90","","93.219","0.003","90","","1953.2","0.6","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Br O4 -","- C22 H25 Br O4 -","- C88 H100 Br4 O16 -","4","1","","Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof","A Concise, Stereocontrolled Total Synthesis of Rippertenol","Journal of the American Chemical Society","2011","133","","8850","8853","10.1021/ja202859f","","","0.71073","MoKα","","0.1301","0.0708","","","0.1731","0.2027","","","","","","1.041","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106261","8.8772","0.0013","17.309","0.003","42.62","0.006","90","","95.771","0.002","90","","6515.6","1.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 O4 Si -","- C37 H48 O4 Si -","- C296 H384 O32 Si8 -","8","2","","Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof","A Concise, Stereocontrolled Total Synthesis of Rippertenol","Journal of the American Chemical Society","2011","133","","8850","8853","10.1021/ja202859f","","","0.71073","MoKα","","0.1555","0.0608","","","0.1004","0.1305","","","","","","1.002","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106262","8.2949","0.0014","10.2967","0.0018","18.515","0.003","78.3","0.003","83.853","0.003","85.079","0.003","1536.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H46 O2 Si -","- C35 H46 O2 Si -","- C70 H92 O4 Si2 -","2","1","","Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof","A Concise, Stereocontrolled Total Synthesis of Rippertenol","Journal of the American Chemical Society","2011","133","","8850","8853","10.1021/ja202859f","","","0.71073","MoKα","","0.2081","0.051","","","0.0603","0.0874","","","","","","0.682","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106263","6.366","0.003","13.087","0.006","14.032","0.005","90","","105.29","0.03","90","","1127.7","0.9","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O4 -","- C27 H36 O4 -","- C54 H72 O8 -","2","1","","Hiromasa Yokoe; Chika Mitsuhashi; Yoko Matsuoka; Tomoyuki Yoshimura; Masahiro Yoshida; Kozo Shishido","Enantiocontrolled Total Syntheses of Breviones A, B, and C","Journal of the American Chemical Society","2011","133","","8854","8857","10.1021/ja202874d","","","0.7107","MoKα","","","0.046","","","","0.068","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106264","17.5522","0.0006","10.4649","0.0004","28.3624","0.0009","90","","90","","90","","5209.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Fe N3 -","- C31 H37 Fe N3 -","- C248 H296 Fe8 N24 -","8","1","","Sarah K. Russell; Emil Lobkovsky; Paul J. Chirik","Iron-Catalyzed Intermolecular [2π + 2π] Cycloaddition","Journal of the American Chemical Society","2011","133","","8858","8861","10.1021/ja202992p","","","0.71073","MoKα","","0.0581","0.0413","","","0.1067","0.1165","","","","","","1.014","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106265","13.9722","0.0016","22.691","0.003","21.08","0.002","90","","95.694","0.002","90","","6650.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H192 B8 N8 O3 Si4 -","- C120 H192 B8 N8 O3 Si4 -","- C240 H384 B16 N16 O6 Si8 -","2","0.5","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Cleavage of Carbene-Stabilized Disilicon","Journal of the American Chemical Society","2011","133","","8874","8876","10.1021/ja203208t","","","0.71073","MoKα","","0.1967","0.0871","","","0.2098","0.2604","","","","","","1.053","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106266","20.195","0.006","12.59","0.004","22.879","0.006","90","","90","","90","","5817","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H88 B2 N4 O2 Si -","- C58 H88 B2 N4 O2 Si -","- C232 H352 B8 N16 O8 Si4 -","4","1","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Cleavage of Carbene-Stabilized Disilicon","Journal of the American Chemical Society","2011","133","","8874","8876","10.1021/ja203208t","","","0.71073","MoKα","","0.0892","0.052","","","0.1162","0.1357","","","","","","1.031","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106267","9.145","0.002","25.893","0.006","12.708","0.003","90","","106.34","0.002","90","","2887.6","1.1","93.1","","93.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 F6 Ir2 N O6 S2 -","- C22 H33 F6 Ir2 N O6 S2 -","- C88 H132 F24 Ir8 N4 O24 S8 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0257","","","","0.064","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106268","9.722","0.007","12.154","0.009","18.628","0.013","81.67","0.02","80.053","0.018","83","0.02","2135","3","93.1","","93.1","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H54 B Cl2 Ir2 N -","- C45 H53 B Cl2 Ir2 N -","- C90 H106 B2 Cl4 Ir4 N2 -","2","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0545","","","","0.1722","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106269","14.656","0.004","15.452","0.004","36.94","0.009","90","","93.354","0.003","90","","8351","4","93.1","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H120 B2 Ir4 N2 O2 -","- C96 H115.6 B2 Ir4 N2 O2 -","- C384 H462.4 B8 Ir16 N8 O8 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0385","","","","0.0889","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106270","13.517","0.003","20.4","0.005","14.527","0.004","90","","94.579","0.004","90","","3993","1.7","93.1","","93.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B Ir2 N -","- C44 H52 B Ir2 N -","- C176 H208 B4 Ir8 N4 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.0536","","","","0.1512","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106271","13.564","0.003","14.299","0.003","21.074","0.005","90","","103.713","0.003","90","","3970.8","1.5","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 B Ir2 N2 -","- C44 H55 B Ir2 N2 -","- C176 H220 B4 Ir8 N8 -","4","1","","Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya","H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex","Journal of the American Chemical Society","2011","133","","8880","8883","10.1021/ja203538b","","","0.7107","MoKα","","","0.022","","","","0.0521","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106272","9.686","0.002","16.213","0.005","21.63","0.005","90","","90","","90","","3396.8","1.5","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 B F2 N3 O7 -","- C33 H48 B F2 N3 O7 -","- C132 H192 B4 F8 N12 O28 -","4","1","","Hiromitsu Maeda; Kazumasa Naritani; Yoshihito Honsho; Shu Seki","Anion Modules: Building Blocks of Supramolecular Assemblies by Combination with π-Conjugated Anion Receptors","Journal of the American Chemical Society","2011","133","","8896","8899","10.1021/ja203880d","","","0.71075","MoKα","","0.063","0.0427","","","0.0869","0.0933","","","","","","1.039","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106273","19.343","0.004","20.8","0.005","34.866","0.008","90","","90","","90","","14028","5","273","2","273","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O168 U32 -","- O168 U32 -","- O336 U64 -","2","0.125","","Ginger E. Sigmon; Peter C. Burns","Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters","Journal of the American Chemical Society","2011","133","","9137","9139","10.1021/ja2013449","","","0.71073","MoKα","","0.1482","0.0802","","","0.1988","0.2268","","","","","","0.984","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106274","19.196","0.006","20.634","0.006","35.074","0.01","90","","90","","90","","13892","7","273","2","273","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O168 U32 -","- O168 U32 -","- O336 U64 -","2","0.125","","Ginger E. Sigmon; Peter C. Burns","Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters","Journal of the American Chemical Society","2011","133","","9137","9139","10.1021/ja2013449","","","0.71073","MoKα","","0.1495","0.0754","","","0.1873","0.2077","","","","","","0.819","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106275","19.078","0.005","20.728","0.006","35.208","0.01","90","","90","","90","","13923","7","273","2","273","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- O168 U32 -","- O168 U32 -","- O336 U64 -","2","0.125","","Ginger E. Sigmon; Peter C. Burns","Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters","Journal of the American Chemical Society","2011","133","","9137","9139","10.1021/ja2013449","","","0.71073","MoKα","","0.108","0.0612","","","0.1553","0.1681","","","","","","0.869","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106276","7.6979","0.0009","31.65","0.004","7.1103","0.0008","90","","90","","90","","1732.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H17 Br N2 O4 S -","- C17 H17 Br N2 O4 S -","- C68 H68 Br4 N8 O16 S4 -","4","1","","Ling Zhou; Jie Chen; Chong Kiat Tan; Ying-Yeung Yeung","Enantioselective Bromoaminocyclization Using Amino-Thiocarbamate Catalysts","Journal of the American Chemical Society","2011","133","","9164","9167","10.1021/ja201627h","","","0.71073","MoKα","","0.0431","0.0367","","","0.0807","0.083","","","","","","1.043","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106277","3.7926","0.0004","18.458","0.002","2.9774","0.0002","90","","90","","90","","208.43","0.03","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Hydrazinium (I) Titanium Oxide (0.56/1.86/4)","","- H2.8 N1.12 O4 Ti1.86 -","- N1.12 O4 Ti1.86 -","- N2.24 O8 Ti3.72 -","2","0.125","","Sergey N. Britvin; Andriy Lotnyk; Lorenz Kienle; Sergey V. Krivovichev; Wulf Depmeier","Layered Hydrazinium Titanate: Advanced Reductive Adsorbent and Chemical Toolkit for Design of Titanium Dioxide Nanomaterials","Journal of the American Chemical Society","2011","133","","9516","9525","10.1021/ja202053q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106278","19.804","0.004","20.045","0.004","14.952","0.003","90","","106.03","0.03","90","","5705","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N Si -","- C23 H21 N Si -","- C276 H252 N12 Si12 -","12","3","","Yun Liang; Shaoguang Zhang; Zhenfeng Xi","Palladium-Catalyzed Synthesis of Benzosilolo[2,3-b]indoles via Cleavage of a C(sp3)-Si Bond and Consequent Intramolecular C(sp2)-Si Coupling","Journal of the American Chemical Society","2011","133","","9204","9207","10.1021/ja2024959","","","0.71073","MoKα","","0.2289","0.0472","","","0.0658","0.0929","","","","","","0.529","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106279","21.7834","0.0008","20.2725","0.0007","21.9159","0.0008","90","","116.475","0.002","90","","8663.2","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H44 N2 O9 -","- C52 H44 N2 O9 -","- C416 H352 N16 O72 -","8","2","","Marina M. Safont-Sempere; Peter Osswald; Matthias Stolte; Matthias Grüne; Manuel Renz; Martin Kaupp; Krzysztof Radacki; Holger Braunschweig; Frank Würthner","Impact of Molecular Flexibility on Binding Strength and Self-Sorting of Chiral π-Surfaces","Journal of the American Chemical Society","2011","133","","9580","9591","10.1021/ja202696d","","","0.71073","MoKα","","0.0911","0.0791","","","0.2314","0.2431","","","","","","1.148","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106280","12.5624","0.0012","15.906","0.0015","20.257","0.002","90","","91.067","0.002","90","","4047","0.7","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(PY5Me2)Co(NCCH3)](OTf)2","","","- C37 H34 Co F6 N8 O6 S2 -","- C37 H34 Co F6 N8 O6 S2 -","- C148 H136 Co4 F24 N32 O24 S8 -","4","1","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0689","0.0591","","","0.1579","0.1676","","","","","","1.064","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106281","12.5749","0.0002","12.5919","0.0002","12.9974","0.0002","113.192","0.001","91.686","0.001","116.337","0.001","1642.48","0.05","230","2","230","2","","","","","","","","7","P -1","-P 1","2","(PY5Me2)Co(OH2)(OTf)2","","","- C31 H27 Co F6 N5 O7 S2 -","- C31 H27 Co F6 N5 O7 S2 -","- C62 H54 Co2 F12 N10 O14 S4 -","2","1","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","1.54178","CuKα","","0.032","0.0304","","","0.0807","0.0819","","","","","","1.052","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106282","12.5328","0.0005","12.686","0.0005","14.0939","0.0006","90.454","0.002","116.072","0.002","119.587","0.002","1676.2","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[(PY5Me2)Zn(H2O)](OTf)2","","","- C31 H27 F6 N5 O7 S2 Zn -","- C31 H27 F6 N5 O7 S2 Zn -","- C62 H54 F12 N10 O14 S4 Zn2 -","2","1","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0401","0.0312","","","0.0793","0.084","","","","","","1.038","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106283","10.4204","0.0004","22.6271","0.0008","16.3644","0.0006","90","","90","","90","","3858.5","0.2","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","[(CF3PY5Me2)Co(OH2)](OTf)2","","","- C35 H36 Co F9 N5 O10 S2 -","- C35 H36 Co F9 N5 O10 S2 -","- C140 H144 Co4 F36 N20 O40 S8 -","4","0.5","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0298","0.0262","","","0.0641","0.0667","","","","","","1.099","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106284","21.8445","0.0015","15.8758","0.0011","13.9791","0.001","90","","95.097","0.001","90","","4828.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","[(NMe2PY5Me2)Co(OTf)]OTf","","","- C41.25 H49 Co F6 N6 O9.5 S2 -","- C41.254 H49.016 Co F6 N6 O8.5 S2 -","- C165.016 H196.064 Co4 F24 N24 O34 S8 -","4","0.5","","Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang","Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water","Journal of the American Chemical Society","2011","133","","9212","9215","10.1021/ja202743r","","","0.71073","MoKα","","0.0716","0.0611","","","0.1782","0.1887","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106285","14.0912","0.0002","14.9035","0.0002","12.5426","0.0002","90","","90","","90","","2634.05","0.07","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H18 Br Li N2 O4 -","- C8 H18 Br Li N2 O4 -","- C64 H144 Br8 Li8 N16 O32 -","8","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.018","0.0178","","","0.0464","0.0465","","","","","","1.089","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106286","9.1703","0.0003","9.1703","0.0003","15.5694","0.0014","90","","90","","90","","1309.3","0.13","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C10 H18 Br Li N2 O4 -","- C10 H18 Br Li N2 O4 -","- C40 H72 Br4 Li4 N8 O16 -","4","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0185","0.0181","","","0.0447","0.0449","","","","","","1.078","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106287","14.0427","0.0005","14.6533","0.0005","12.4822","0.0004","90","","90","","90","","2568.49","0.15","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H18 Cl Li N2 O4 -","- C8 H18 Cl Li N2 O4 -","- C64 H144 Cl8 Li8 N16 O32 -","8","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0342","0.0312","","","0.0726","0.0738","","","","","","0.994","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106288","9.0791","0.0001","9.0791","0.0001","15.4104","0.0002","90","","90","","90","","1270.28","0.03","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C10 H18 Cl Li N2 O4 -","- C10 H18 Cl Li N2 O4 -","- C40 H72 Cl4 Li4 N8 O16 -","4","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0231","0.0229","","","0.0662","0.0663","","","","","","1.022","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106289","9.5197","0.0001","9.9275","0.0001","21.7783","0.0002","90","","90","","90","","2058.2","0.04","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl Li N2 O4 -","- C6 H14 Cl Li N2 O4 -","- C48 H112 Cl8 Li8 N16 O32 -","8","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.029","0.0274","","","0.0786","0.0798","","","","","","1.031","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106290","16.0472","0.0016","8.4767","0.001","10.8836","0.0011","90","","103.731","0.006","90","","1438.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Li N3 O7 -","- C10 H22 Li N3 O7 -","- C40 H88 Li4 N12 O28 -","4","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0475","0.0408","","","0.1134","0.1194","","","","","","1.023","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106291","11.0448","0.0003","12.0393","0.0003","20.2019","0.0005","90","","90","","90","","2686.28","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Li N3 O7 -","- C10 H18 Li N3 O7 -","- C80 H144 Li8 N24 O56 -","8","2","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0337","0.0314","","","0.0799","0.0812","","","","","","1.045","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106292","9.5219","0.0009","9.5664","0.0009","15.0812","0.0012","90","","90","","90","","1373.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Li N3 O7 -","- C10 H18 Li N3 O7 -","- C40 H72 Li4 N12 O28 -","4","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.064","0.0576","","","0.1454","0.1504","","","","","","1.046","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106293","42.093","0.006","42.093","0.006","16.69","0.003","90","","90","","90","","29572","8","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ga16 Se33 Zn4 -","- Ga16 Se33 Zn4 -","- Ga128 Se264 Zn32 -","8","0.5","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1317","0.0909","","","0.2883","0.3501","","","","","","1.128","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106294","23.5937","0.0008","23.5937","0.0008","42.62","0.003","90","","90","","90","","23725","2","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C3 Ga16 N5 Se33 Zn4 -","- C3 Ga16 N5 Se33 Zn4 -","- C24 Ga128 N40 Se264 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1745","0.0603","","","0.167","0.2278","","","","","","1.04","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106295","22.8934","0.0012","22.8934","0.0012","41.516","0.004","90","","90","","90","","21759","3","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga16 N2 S16.11 Se16.89 Zn4 -","- Ga16 N2 S16.114 Se16.886 Zn4 -","- Ga128 N16 S128.912 Se135.088 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1135","0.0691","","","0.2294","0.2793","","","","","","1.063","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106296","23.5451","0.0002","23.5451","0.0002","41.2267","0.0008","90","","90","","90","","22854.9","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga16 N2 S12.33 Se20.67 Zn4 -","- Ga16 N2 S12.33 Se20.6692 Zn4 -","- Ga128 N16 S98.64 Se165.354 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1245","0.0592","","","0.1914","0.2499","","","","","","1.091","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106297","23.0701","0.0004","23.0701","0.0004","41.4975","0.0013","90","","90","","90","","22086.2","0.9","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C2 Ga13.58 Se33 Sn2.42 Zn4 -","- C2 Ga13.572 Se33 Sn2.428 Zn4 -","- C16 Ga108.576 Se264 Sn19.424 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1258","0.0594","","","0.1836","0.2367","","","","","","1.075","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106298","23.7021","0.0003","23.7021","0.0003","42.1858","0.0008","90","","90","","90","","23699.5","0.6","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga13.87 S5.39 Se27.67 Sn2.13 Zn4 -","- Ga13.88 S5.37 Se27.67 Sn2.12 Zn4 -","- Ga111.04 S42.96 Se221.36 Sn16.96 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1409","0.0744","","","0.2158","0.3201","","","","","","1.082","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106299","23.6724","0.0002","23.6724","0.0002","42.266","0.0008","90","","90","","90","","23685.1","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga13.06 S3.3 Se29.7 Sn2.94 Zn4 -","- Ga13.0608 S3.2994 Se29.7 Sn2.9388 Zn4 -","- Ga104.486 S26.3952 Se237.6 Sn23.5104 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1209","0.0705","","","0.2373","0.2865","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106300","23.5849","0.0003","23.5849","0.0003","41.871","0.0017","90","","90","","90","","23290.6","1","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga14.17 S5.52 Se27.57 Sn1.83 Zn4 -","- Ga14.1696 S5.4919 Se27.5033 Sn1.8328 Zn4 -","- Ga113.357 S43.9352 Se220.026 Sn14.6624 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1124","0.0639","","","0.2135","0.2629","","","","","","1.086","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106301","24.1157","0.0002","24.1157","0.0002","41.9575","0.0006","90","","90","","90","","24401.1","0.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga12.93 S5.01 Se28.13 Sn3.07 Zn4 -","- Ga12.92 S4.952 Se28.108 Sn3.08 Zn4 -","- Ga103.36 S39.616 Se224.864 Sn24.64 Zn32 -","8","0.25","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.1141","0.068","","","0.2117","0.2945","","","","","","1.033","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106302","18.7047","0.001","18.7047","0.001","18.7047","0.001","90","","90","","90","","6544.1","0.6","150","2","150","2","","","","","","","","8","I -4 3 m","I -4 2 3","217","","","","- C60 H144 Ga14 N12 S3.29 Se31.71 Sn2 Zn4 -","- C60 H144 Ga14 N12 S3.286 Se31.714 Sn2 Zn4 -","- C120 H288 Ga28 N24 S6.572 Se63.428 Sn4 Zn8 -","2","0.0416667","","Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng","Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides","Journal of the American Chemical Society","2011","133","","9616","9625","10.1021/ja203143q","","","0.71073","MoKα","","0.0578","0.0345","","","0.0727","0.0844","","","","","","1.032","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106303","9.074","0.002","21.105","0.005","12.299","0.004","90","","105.218","0.01","90","","2272.7","1","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57 H59 B N2 O4 -","- C57 H59 B N2 O4 -","- C114 H118 B2 N4 O8 -","2","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.0954","0.0838","","","0.2117","0.2189","","","","","","1.067","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106304","13.336","0.007","14.772","0.009","16.318","0.008","76.813","0.018","77.986","0.017","76.877","0.019","3006","3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H31 B Cl2 N2 O4 -","- C36 H31 B Cl2 N2 O4 -","- C144 H124 B4 Cl8 N8 O16 -","4","2","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.2829","0.0851","","","0.1795","0.2789","","","","","","0.909","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106305","14.121","","9.324","","18.497","","90","","99.18","","90","","2404.2","","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H65 B Cl N3 O4 -","- C51 H65 B Cl N3 O4 -","- C102 H130 B2 Cl2 N6 O8 -","2","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","1.54187","CuKα","","0.1754","0.0971","","","0.218","0.2655","","","","","","1.129","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106306","8.696","0.004","16.687","0.009","9.096","0.004","90","","116.168","0.018","90","","1184.6","1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Hiromitsu Maeda; Yuya Bando; Konomi Shimomura; Ippei Yamada; Masanobu Naito; Kazuyuki Nobusawa; Hiroyuki Tsumatori; Tsuyoshi Kawai","Chemical-Stimuli-Controllable Circularly Polarized Luminescence from Anion-Responsive π-Conjugated Molecules","Journal of the American Chemical Society","2011","133","","9266","9269","10.1021/ja203206g","","","0.71075","MoKα","","0.0433","0.035","","","0.0871","0.0917","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106307","10.059","0.0001","18.4839","0.0002","23.6246","0.0002","90","","93.024","0.001","90","","4386.39","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 Cl3 N2 O3 Pd -","- C45 H55 Cl3 N2 O3 Pd -","- C180 H220 Cl12 N8 O12 Pd4 -","4","1","","Bin Xiao; Tian-Jun Gong; Zhao-Jing Liu; Jing-Hui Liu; Dong-Fen Luo; Jun Xu; Lei Liu","Synthesis of Dibenzofurans via Palladium-Catalyzed Phenol-Directed C-H Activation/C-O Cyclization","Journal of the American Chemical Society","2011","133","","9250","9253","10.1021/ja203335u","","","1.54184","CuKα","","0.0387","0.0318","","","0.0893","0.0915","","","","","","1.018","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106308","6.9858","0.0003","13.2211","0.0006","22.1961","0.0009","90","","90","","90","","2050.03","0.15","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Bin Xiao; Tian-Jun Gong; Zhao-Jing Liu; Jing-Hui Liu; Dong-Fen Luo; Jun Xu; Lei Liu","Synthesis of Dibenzofurans via Palladium-Catalyzed Phenol-Directed C-H Activation/C-O Cyclization","Journal of the American Chemical Society","2011","133","","9250","9253","10.1021/ja203335u","","","1.54184","CuKα","","0.0568","0.0455","","","0.1199","0.1302","","","","","","1.029","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106309","14.4165","0.0007","14.7066","0.0007","15.7017","0.0008","112.429","0.0006","97.6849","0.0006","106.548","0.0006","2837.2","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 F3 Mn N4 O15 S4 -","- C45 H68 Ca Cl2 F3 Mn N4 O15 S4 -","- C90 H136 Ca2 Cl4 F6 Mn2 N8 O30 S8 -","2","1","","Young Jun Park; Joseph W. Ziller; A. S. Borovik","The Effects of Redox-Inactive Metal Ions on the Activation of Dioxygen: Isolation and Characterization of a Heterobimetallic Complex Containing a MnIII-(μ-OH)-CaII Core","Journal of the American Chemical Society","2011","133","","9258","9261","10.1021/ja203458d","","","0.71073","MoKα","","0.0635","0.0515","","","0.1314","0.1404","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4106310","13.0048","0.0005","14.7028","0.0005","18.2798","0.0007","110.556","0.0004","92.2863","0.0004","105.802","0.0004","3113.2","0.2","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H77 Ba F3 Mn N4 O17 S4 -","- C50 H77 Ba F3 Mn N4 O17 S4 -","- C100 H154 Ba2 F6 Mn2 N8 O34 S8 -","2","1","","Young Jun Park; Joseph W. Ziller; A. S. Borovik","The Effects of Redox-Inactive Metal Ions on the Activation of Dioxygen: Isolation and Characterization of a Heterobimetallic Complex Containing a MnIII-(μ-OH)-CaII Core","Journal of the American Chemical Society","2011","133","","9258","9261","10.1021/ja203458d","","","0.71073","MoKα","","0.0486","0.0373","","","0.0968","0.1035","","","","","","1.03","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106311","16.723","0.007","7.709","0.003","32.443","0.012","90","","95.198","0.005","90","","4165","3","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H40 Ir N O2 P2 -","- C17 H40 Ir N O2 P2 -","- C136 H320 Ir8 N8 O16 P16 -","8","2","","Timothy J. Schmeier; Graham E. Dobereiner; Robert H. Crabtree; Nilay Hazari","Secondary Coordination Sphere Interactions Facilitate the Insertion Step in an Iridium(III) CO2 Reduction Catalyst","Journal of the American Chemical Society","2011","133","","9274","9277","10.1021/ja2035514","","","0.71075","MoKα","","","0.0684","","","","0.0955","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106312","13.7","0.003","13.994","0.003","25.058","0.005","83.971","0.002","86.904","0.002","88.474","0.002","4769.5","1.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C90 H73 B F24 Fe N2 O3 P2 Y -","- C90 H73 B F24 Fe N2 O3 P2 Y -","- C180 H146 B2 F48 Fe2 N4 O6 P4 Y2 -","2","1","","Erin M. Broderick; Neng Guo; Carola S. Vogel; Cuiling Xu; Jörg Sutter; Jeffrey T. Miller; Karsten Meyer; Parisa Mehrkhodavandi; Paula L. Diaconescu","Redox Control of a Ring-Opening Polymerization Catalyst","Journal of the American Chemical Society","2011","133","","9278","9281","10.1021/ja2036089","","","0.71073","MoKα","","0.0836","0.0553","","","0.1553","0.1684","","","","","","1.061","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106313","17.5092","0.001","29.7286","0.0018","8.5863","0.0005","90","","90","","90","","4469.4","0.5","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H24 F10 N4 O2 Zn -","- C16 H24 F10 N4 O2 Zn -","- C128 H192 F80 N32 O16 Zn8 -","8","0.5","","Ilya Popov; Sergey Lindeman; Olafs Daugulis","Copper-Catalyzed Arylation of 1H-Perfluoroalkanes","Journal of the American Chemical Society","2011","133","","9286","9289","10.1021/ja2041942","","","0.71073","MoKα","","0.0395","0.0384","","","0.102","0.1031","","","","","","1.052","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106314","26.038","0.004","26.038","0.004","21.702","0.004","90","","90","","120","","12742","4","223.15","","223.15","","","","","","","","","8","R -3","-R 3","148","","","","- C20 H36 Cl Cu F5 K N6 O3 -","- C20 H36 Cl Cu F5 K N6 O3 -","- C360 H648 Cl18 Cu18 F90 K18 N108 O54 -","18","","","Ilya Popov; Sergey Lindeman; Olafs Daugulis","Copper-Catalyzed Arylation of 1H-Perfluoroalkanes","Journal of the American Chemical Society","2011","133","","9286","9289","10.1021/ja2041942","","","0.71073","MoKα","","0.0597","0.0508","","","0.1306","0.1362","","","","","","1.022","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106315","5.2162","0.0002","15.3273","0.0004","16.7226","0.0005","87.309","0.002","89.473","0.002","85.92","0.002","1332.09","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","2","","Shainaz M. Landge; Ekatarina Tkatchouk; Diego Benítez; Don Antoine Lanfranchi; Mourad Elhabiri; William A. Goddard; Ivan Aprahamian","Isomerization Mechanism in Hydrazone-Based Rotary Switches: Lateral Shift, Rotation, or Tautomerization?","Journal of the American Chemical Society","2011","133","","9812","9823","10.1021/ja200699v","","x-ray","1.54178","CuKα","","0.0638","0.046","","","0.1128","0.1231","","","","","","1.056","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106316","7.0657","0.0015","10.783","0.002","14.797","0.003","98.277","0.002","98.104","0.002","98.997","0.002","1086.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 F6 N3 O6 -","- C19 H17 F6 N3 O6 -","- C38 H34 F12 N6 O12 -","2","1","","Shainaz M. Landge; Ekatarina Tkatchouk; Diego Benítez; Don Antoine Lanfranchi; Mourad Elhabiri; William A. Goddard; Ivan Aprahamian","Isomerization Mechanism in Hydrazone-Based Rotary Switches: Lateral Shift, Rotation, or Tautomerization?","Journal of the American Chemical Society","2011","133","","9812","9823","10.1021/ja200699v","","x-ray","0.71073","MoKα","","0.1077","0.0892","","","0.3137","0.3445","","","","","","1.313","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106317","7.6924","0.0006","8.5035","0.0006","16.6802","0.0012","86.133","0.001","83.357","0.001","66.975","0.001","997.13","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F3 N3 O4 -","- C21 H18 F3 N3 O4 -","- C42 H36 F6 N6 O8 -","2","1","","Shainaz M. Landge; Ekatarina Tkatchouk; Diego Benítez; Don Antoine Lanfranchi; Mourad Elhabiri; William A. Goddard; Ivan Aprahamian","Isomerization Mechanism in Hydrazone-Based Rotary Switches: Lateral Shift, Rotation, or Tautomerization?","Journal of the American Chemical Society","2011","133","","9812","9823","10.1021/ja200699v","","x-ray","0.71073","MoKα","","0.0614","0.0541","","","0.1535","0.163","","","","","","1.073","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106318","13.3469","0.0006","15.7707","0.0008","17.3778","0.0009","64.183","0.0019","72.743","0.003","75.348","0.003","3111.8","0.3","150","1","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H74 B Br Fe N2 O P2 -","- C59 H74 B Br Fe N2 O P2 -","- C118 H148 B2 Br2 Fe2 N4 O2 P4 -","2","1","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.143","0.0674","","","0.1497","0.172","","","","","","0.892","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106319","13.1562","0.0002","18.2131","0.0003","20.7991","0.0003","67.535","0.001","78.906","0.001","70.363","0.001","4325.97","0.12","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C47 H58 B Br Fe N2 O P2 -","- C47 H58 B Br Fe N2 O P2 -","- C188 H232 B4 Br4 Fe4 N8 O4 P8 -","4","2","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.107","0.0499","","","0.1079","0.1303","","","","","","0.993","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106320","16.9216","0.0004","10.2346","0.0002","14.0347","0.0004","90","","98.42","0.001","90","","2404.41","0.1","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Fe N2 O P2 -","- C23 H36 Fe N2 O P2 -","- C92 H144 Fe4 N8 O4 P8 -","4","1","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.0773","0.044","","","0.1055","0.1215","","","","","","1.07","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106321","25.7917","0.0002","29.1099","0.0011","10.128","0.0008","90","","98.535","0.0016","90","","7519.8","0.7","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 B Cl Fe N2 O P2 -","- C39 H50 B Cl Fe N2 O P2 -","- C312 H400 B8 Cl8 Fe8 N16 O8 P16 -","8","2","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Low-Valent Ene-Amido Iron Complexes for the Asymmetric Transfer Hydrogenation of Acetophenone without Base","Journal of the American Chemical Society","2011","133","","9662","9665","10.1021/ja202375y","","","0.71073","MoKα","","0.1789","0.063","","","0.1165","0.1581","","","","","","0.958","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106322","12.674","0.005","7.919","0.002","18.528","0.007","90","","100.482","0.015","90","","1828.5","1.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F3 O4 -","- C21 H17 F3 O4 -","- C84 H68 F12 O16 -","4","1","","Daishi Fujino; Hideki Yorimitsu; Koichiro Oshima","Synthesis of Alkylidenecyclopropanes by Palladium-Catalyzed Reaction of Propargyl-Substituted Malonate Esters with Aryl Halides by Anti-carbopalladation Pathway","Journal of the American Chemical Society","2011","133","","9682","9685","10.1021/ja203062z","","","0.71075","MoKα","","0.0492","0.041","","","0.1095","0.115","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106323","12.47483","0.00015","16.8358","0.00007","9.7775","0.0003","90","","90","","90","","2053.51","0.07","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H27 O4 P W -","- C19 H27 O4 P W -","- C76 H108 O16 P4 W4 -","4","0.5","","Volodymyr Lyaskovskyy; Niels Elders; Andreas W. Ehlers; Martin Lutz; J. Chris Slootweg; Koop Lammertsma","Remarkable Metal-Complexed Phosphorus Analogues of the Cyclopropenylcarbene-Cyclobutadiene Rearrangement","Journal of the American Chemical Society","2011","133","","9704","9707","10.1021/ja203083c","","","0.71073","MoKα","","0.0144","0.0113","","","0.0237","0.0246","","","","","","1.193","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106324","9.2927","0.0004","13.0702","0.0005","16.0005","0.0009","98.187","0.002","90.054","0.002","93.899","0.003","1919.01","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Fe O3 P -","- C18 H27 Fe O3 P -","- C72 H108 Fe4 O12 P4 -","4","2","","Volodymyr Lyaskovskyy; Niels Elders; Andreas W. Ehlers; Martin Lutz; J. Chris Slootweg; Koop Lammertsma","Remarkable Metal-Complexed Phosphorus Analogues of the Cyclopropenylcarbene-Cyclobutadiene Rearrangement","Journal of the American Chemical Society","2011","133","","9704","9707","10.1021/ja203083c","","","0.71073","MoKα","","0.0669","0.0357","","","0.0689","0.0786","","","","","","1.042","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106325","8.4946","0.0015","9.3522","0.0016","14.843","0.003","87.096","0.002","83.984","0.002","75.395","0.002","1134.4","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 S3 Zn -","- C23 H21 N3 S3 Zn -","- C46 H42 N6 S6 Zn2 -","2","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0599","0.0371","","","0.075","0.0838","","","","","","1.028","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106326","9.174","0.007","14.901","0.011","27.65","0.02","90","","90","","90","","3780","5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 S3 Zn -","- C17 H15 N3 S3 Zn -","- C136 H120 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0829","0.0415","","","0.0884","0.1022","","","","","","1.018","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106327","32.946","0.003","9.1119","0.0009","13.916","0.0014","90","","101.273","0.002","90","","4097","0.7","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N4 O S3 Zn -","- C20 H15 N4 O S3 Zn -","- C160 H120 N32 O8 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0875","0.0504","","","0.1204","0.1356","","","","","","1.188","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106328","14.0412","0.0009","14.5162","0.001","9.1317","0.0006","90","","96.085","0.001","90","","1850.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O2 S3 Zn -","- C17 H13 N3 O2 S3 Zn -","- C68 H52 N12 O8 S12 Zn4 -","4","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0476","0.0321","","","0.0754","0.0819","","","","","","1.03","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106329","13.598","0.003","9.344","0.002","13.935","0.003","90","","90","","90","","1770.6","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 N6 S3 Zn -","- C16 H12 N6 S3 Zn -","- C64 H48 N24 S12 Zn4 -","4","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0577","0.0367","","","0.0697","0.0769","","","","","","1.01","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106330","9.378","0.0006","10.1829","0.0006","13.4332","0.0008","70.77","0.001","84.296","0.001","83.607","0.001","1201.01","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 N3 O2 S3 Zn -","- C24 H21 N3 O2 S3 Zn -","- C48 H42 N6 O4 S6 Zn2 -","2","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0266","0.0239","","","0.0651","0.0668","","","","","","1.057","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106331","8.607","0.002","14.655","0.004","30.49","0.008","90","","90","","90","","3845.9","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 S3 Zn -","- C19 H16 N3 S3 Zn -","- C152 H128 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.1075","0.0465","","","0.0834","0.1024","","","","","","1.001","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106332","11.443","0.0004","14.9679","0.0005","11.569","0.0004","90","","111.381","0.0019","90","","1845.13","0.11","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","1","","Takuya Hashimoto; Hiroki Nakatsu; Kumiko Yamamoto; Keiji Maruoka","Chiral Brønsted Acid-Catalyzed Asymmetric Trisubstituted Aziridine Synthesis Using α-Diazoacyl Oxazolidinones","Journal of the American Chemical Society","2011","133","","9730","9733","10.1021/ja203901h","","","1.54187","CuKα","","","0.0525","","","","0.146","","","","","","1.037","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106333","7.4228","0.0013","17.014","0.003","22.026","0.004","90","","96.464","0.003","90","","2764","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H44 O Si -","- C31 H44 O Si -","- C124 H176 O4 Si4 -","4","2","","Surendra, Karavadhi; Qiu, Wenwei; Corey, E. J.","A Powerful New Construction of Complex Chiral Polycycles by an Indium(III)-Catalyzed Cationic Cascade","Journal of the American Chemical Society","2011","133","25","9724","9726","10.1021/ja204142n","","","0.71073","MoKα","","0.0566","0.0428","","","0.0893","0.0959","","","","","","1.02","","","","has coordinates","219273","2020-10-21","18:00:00",""
"4106334","11.062","0.004","13.329","0.005","13.883","0.005","89.968","0.006","87.718","0.006","74.061","0.006","1966.6","1.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H45 B Cl3 Ir N2 -","- C46.5 H45 B Cl3 Ir N2 -","- C93 H90 B2 Cl6 Ir2 N4 -","2","1","","Janeth Navarro; Olga Torres; Marta Martín; Eduardo Sola","Iridium Complexes of the Doubly Cyclometalated NHC Ligand IMes''","Journal of the American Chemical Society","2011","133","","9738","9740","10.1021/ja204522e","","","0.71073","MoKα","","0.0673","0.0449","","","0.067","0.072","","","","","","0.832","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106335","33.9769","0.0015","13.1349","0.0006","13.8166","0.0006","90","0.001","109.442","0.001","90","0.001","5814.5","0.4","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 F6 Ir N5 P -","- C27 H31 F6 Ir N5 P -","- C216 H248 F48 Ir8 N40 P8 -","8","1","","Janeth Navarro; Olga Torres; Marta Martín; Eduardo Sola","Iridium Complexes of the Doubly Cyclometalated NHC Ligand IMes''","Journal of the American Chemical Society","2011","133","","9738","9740","10.1021/ja204522e","","","0.71073","MoKα","","0.0564","0.0364","","","0.0613","0.0653","","","","","","0.897","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106336","7.0412","0.0004","10.3913","0.0007","40.539","0.003","97.167","0.002","90.431","0.002","109.311","0.001","2773.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H37 B2 F6 K2 N3 -","- C23 H37 B2 F6 K2 N3 -","- C92 H148 B8 F24 K8 N12 -","4","2","","Jin-Kyun Lee; Michael C. Gwinner; Reinhard Berger; Carol Newby; Rudolf Zentel; Richard H. Friend; Henning Sirringhaus; Christopher K. Ober","High-Performance Electron-Transporting Polymers Derived from a Heteroaryl Bis(trifluoroborate)","Journal of the American Chemical Society","2011","133","","9949","9951","10.1021/ja201485p","","","0.71073","MoKα","","0.0669","0.0423","","","0.0945","0.1061","","","","","","0.989","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4106337","16.7036","0.0009","16.7036","0.0009","20.765","0.002","90","","90","","90","","5793.6","0.7","296","2","296","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C58 H34 N6 O9 Zn3 -","- C58 H34 N6 O9 Zn3 -","- C116 H68 N12 O18 Zn6 -","2","0.125","","Brandon J. Burnett; Paul M. Barron; Chunhua Hu; Wonyoung Choe","Stepwise Synthesis of Metal-Organic Frameworks: Replacement of Structural Organic Linkers","Journal of the American Chemical Society","2011","133","","9984","9987","10.1021/ja201911v","","","0.71073","MoKα","","0.0875","0.0654","","","0.16","0.17","","","","","","1.006","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106338","12.44","0.01","12.594","0.01","12.697","0.01","90","","100.954","0.014","90","","1953","3","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 F3 N2 O2 -","- C21 H23 F3 N2 O2 -","- C84 H92 F12 N8 O8 -","4","4","","G. K. Surya Prakash; Fang Wang; Chuanfa Ni; Jingguo Shen; Ralf Haiges; Andrei K. Yudin; Thomas Mathew; George A. Olah","Conformational Study of 9-Dehydro-9-Trifluoromethyl Cinchona Alkaloids via 19F NMR Spectroscopy: Emergence of Trifluoromethyl Moiety as a Conformational Stabilizer and a Probe","Journal of the American Chemical Society","2011","133","","9992","9995","10.1021/ja202373d","","","0.71073","MoKα","","0.1818","0.0513","","","0.0878","0.1196","","","","","","0.705","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106339","8.293","0.002","8.115","0.002","12.531","0.003","90","","95.021","0.004","90","","840.1","0.4","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","G. K. Surya Prakash; Fang Wang; Chuanfa Ni; Jingguo Shen; Ralf Haiges; Andrei K. Yudin; Thomas Mathew; George A. Olah","Conformational Study of 9-Dehydro-9-Trifluoromethyl Cinchona Alkaloids via 19F NMR Spectroscopy: Emergence of Trifluoromethyl Moiety as a Conformational Stabilizer and a Probe","Journal of the American Chemical Society","2011","133","","9992","9995","10.1021/ja202373d","","","0.71073","MoKα","","0.1113","0.0638","","","0.1257","0.147","","","","","","1.021","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106340","9.178","0.003","9.178","0.003","9.675","0.002","90","","90","","90","","815","0.4","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Hexathallium Tetraiodide Selenide","","- I4 Se Tl6 -","- I4 Se Tl6 -","- I8 Se2 Tl12 -","2","0.125","","Simon Johnsen; Zhifu Liu; John A. Peters; Jung-Hwan Song; Sandy Nguyen; Christos D. Malliakas; Hosub Jin; Arthur J. Freeman; Bruce W. Wessels; Mercouri G. Kanatzidis","Thallium Chalcohalides for X-ray and γ-ray Detection","Journal of the American Chemical Society","2011","133","","10030","10033","10.1021/ja202540t","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106341","26.0742","0.0013","9.0076","0.0005","24.0854","0.0012","90","","111.493","0.001","90","","5263.5","0.5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","AuBr(dppe)-0.5Et2O","","","- C56 H58 Au2 Br2 O P4 -","- C56 H58 Au2 Br2 O P4 -","- C224 H232 Au8 Br8 O4 P16 -","4","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0552","0.0314","","","0.0635","0.0713","","","","","","1.058","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106342","10.6725","0.0004","23.1389","0.0009","11.7127","0.0005","90","","106.416","0.004","90","","2774.5","0.2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[AuBr(dppe)]2 .2DMSO","","","- C56 H60 Au2 Br2 O2 P4 S2 -","- C56 H60 Au2 Br2 O2 P4 S2 -","- C112 H120 Au4 Br4 O4 P8 S4 -","2","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0508","0.0264","","","0.0475","0.0555","","","","","","1.031","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106343","10.7883","0.0004","22.4579","0.0008","11.6966","0.0004","90","","108.544","0.004","90","","2686.75","0.18","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[AuBr(dppe)]2 .2CH2Cl2","","","- C54 H52 Au2 Br2 Cl4 P4 -","- C54 H52 Au2 Br2 Cl4 P4 -","- C108 H104 Au4 Br4 Cl8 P8 -","2","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0302","0.0225","","","0.051","0.0549","","","","","","0.986","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106344","9.1275","0.0004","12.0795","0.0005","13.7259","0.0006","67.432","0.003","71.848","0.003","83.965","0.004","1327.75","0.11","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Au(dppe)Br]-CH2Cl2","","","- C27 H26 Au Br Cl2 P2 -","- C27 H26 Au Br Cl2 P2 -","- C54 H52 Au2 Br2 Cl4 P4 -","2","1","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0381","0.0323","","","0.0808","0.0832","","","","","","1.08","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106345","11.8336","0.0004","14.4702","0.0005","15.2751","0.0005","77.09","0.002","78.172","0.002","80.294","0.003","2474.62","0.15","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Au2(dppe)2Br2].CH3CN","","","- C54 H51 Au2 Br2 N P4 -","- C54 H51 Au2 Br2 N P4 -","- C108 H102 Au4 Br4 N2 P8 -","2","1","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.019","0.0166","","","0.0398","0.0406","","","","","","1.023","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106346","11.0206","0.001","11.6968","0.0011","12.2211","0.0011","103.357","0.002","101.085","0.002","109.337","0.002","1382.9","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[AuBr(dppe)]2.2(DMF)","","","- C58 H62 Au2 Br2 N2 O2 P4 -","- C58 H62 Au2 Br2 N2 O2 P4 -","- C58 H62 Au2 Br2 N2 O2 P4 -","1","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0273","0.021","","","0.0462","0.0488","","","","","","1.002","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106347","10.776","0.002","22.739","0.004","11.738","0.002","90","","106.848","0.003","90","","2752.8","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[AuBr(dppe)]2.2acetone","","","- C58 H60 Au2 Br2 O2 P4 -","- C58 H60 Au2 Br2 O2 P4 -","- C116 H120 Au4 Br4 O4 P8 -","2","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0294","0.0206","","","0.0422","0.0444","","","","","","1.032","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106348","11.753","0.0003","14.4241","0.0003","15.4879","0.0003","76.55","0.003","77.6","0.003","79.6","0.003","2470.35","0.1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","AuBr(dppe)-Et2O","","","- C108 H106 Au4 Br4 O P8 -","- C108 H106 Au4 Br4 O P8 -","- C108 H106 Au4 Br4 O P8 -","1","0.5","","Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch","Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2","Journal of the American Chemical Society","2011","133","","10229","10238","10.1021/ja2026807","","","0.71073","MoKα","","0.0328","0.0228","","","0.0439","0.0463","","","","","","1.013","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106349","37.841","0.005","37.841","0.005","15.799","0.003","90","","90","","120","","19592","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C160 H112 Cl24 N32 Zn12 -","- C160 H112 Cl24 N32 Zn12 -","- C480 H336 Cl72 N95.9999 Zn36 -","3","0.166667","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.2079","0.0811","","","0.2041","0.2312","","","","","","0.854","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106350","32.668","0.003","14.4026","0.0007","31.108","0.003","90","","100.533","0.007","90","","14390","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cl6 N12 Zn3 -","- C36 H24 Cl6 N12 Zn3 -","- C288 H192 Cl48 N96 Zn24 -","8","1","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.2307","0.0507","","","0.0654","0.085","","","","","","0.498","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106351","9.7312","0.0019","11.277","0.002","18.98","0.004","90","","103.29","0.03","90","","2027.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 I2 N4 Zn -","- C20 H14 I2 N4 Zn -","- C80 H56 I8 N16 Zn4 -","4","1","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.1717","0.0726","","","0.1471","0.171","","","","","","0.839","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106352","11.236","0.002","24.92","0.005","12.206","0.002","90","","117.21","0.03","90","","3039.5","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 B F16 P -","- C30 H28 B F16 P -","- C120 H112 B4 F64 P4 -","4","1","","Adam J. V. Marwitz; Jason L. Dutton; Lauren G. Mercier; Warren E. Piers","Dihydrogen Activation witht Bu3P/B(C6F5)3: A Chemically Competent Indirect Mechanism via in Situ-Generated p-tBu2P-C6F4-B(C6F5)2","Journal of the American Chemical Society","2011","133","","10026","10029","10.1021/ja203214f","","","0.71073","MoKα","","0.0928","0.0696","","","0.1231","0.1342","","","","","","1.147","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106353","26.224","0.005","4.8977","0.0009","15.896","0.003","90","","97.271","0.003","90","","2025.2","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Br2 -","- C22 H30 Br2 -","- C88 H120 Br8 -","4","1","","Elizabeth Amir; Roey J. Amir; Luis M. Campos; Craig J. Hawker","Stimuli-Responsive Azulene-Based Conjugated Oligomers with Polyaniline-like Properties","Journal of the American Chemical Society","2011","133","","10046","10049","10.1021/ja203267g","","","0.71073","MoKα","","0.1253","0.0576","","","0.1249","0.1627","","","","","","1.122","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106354","9.7574","0.0007","14.7261","0.001","14.4347","0.001","90","","104.03","0.004","90","","2012.2","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br2 -","- C11 H6.5 Br2 -","- C88 H52 Br16 -","8","2","","Elizabeth Amir; Roey J. Amir; Luis M. Campos; Craig J. Hawker","Stimuli-Responsive Azulene-Based Conjugated Oligomers with Polyaniline-like Properties","Journal of the American Chemical Society","2011","133","","10046","10049","10.1021/ja203267g","","","1.54178","CuKα","","0.0739","0.0697","","","0.1758","0.1811","","","","","","1.121","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106355","17.753","0.004","8.1082","0.0016","23.17","0.005","90","","101.19","0.03","90","","3271.8","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H60 Cl2 N2 O21 -","- C61 H60 Cl2 N2 O21 -","- C122 H120 Cl4 N4 O42 -","2","1","","David L. Sloman; Jeffrey W. Bacon; John A. Porco","Total Synthesis and Absolute Stereochemical Assignment of Kibdelone C","Journal of the American Chemical Society","2011","133","","9952","9955","10.1021/ja203642n","","","1.54178","CuKα","","0.1068","0.0853","","","0.2271","0.2474","","","","","","1.038","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106356","10.8945","0.0006","9.8099","0.0005","13.8138","0.0009","90","","110.216","0.003","90","","1385.39","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 Br I O6 -","- C29 H26 Br I O6 -","- C58 H52 Br2 I2 O12 -","2","1","","David L. Sloman; Jeffrey W. Bacon; John A. Porco","Total Synthesis and Absolute Stereochemical Assignment of Kibdelone C","Journal of the American Chemical Society","2011","133","","9952","9955","10.1021/ja203642n","","","0.71073","MoKα","","0.0397","0.0309","","","0.0713","0.0752","","","","","","1.037","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106357","9.5376","0.0012","14.4981","0.0015","19.919","0.002","90","","95.283","0.003","90","","2742.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N4 O7 -","- C30 H26 N4 O5 -","- C120 H104 N16 O20 -","4","1","","Xiangbing Qi; Hongli Bao; Uttam K. Tambar","Total Synthesis of (\±)-Trigonoliimine C via Oxidative Rearrangement of an Unsymmetrical Bis-Tryptamine","Journal of the American Chemical Society","2011","133","","10050","10053","10.1021/ja203960b","","","0.71074","MoKα","","0.0926","0.0721","","","0.1832","0.1941","","","","","","1.075","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106358","9.934","0.002","10.977","0.002","14.781","0.003","101.908","0.005","92.052","0.005","112.872","0.005","1441","0.5","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl2 N4 O5 -","- C31 H28 Cl2 N4 O5 -","- C62 H56 Cl4 N8 O10 -","2","1","","Xiangbing Qi; Hongli Bao; Uttam K. Tambar","Total Synthesis of (\±)-Trigonoliimine C via Oxidative Rearrangement of an Unsymmetrical Bis-Tryptamine","Journal of the American Chemical Society","2011","133","","10050","10053","10.1021/ja203960b","","","0.71075","MoKα","","0.1969","0.0794","","","0.1541","0.193","","","","","","1.013","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106359","23.75","0.0007","8.4366","0.0003","17.2033","0.0005","90","","108.97","0.001","90","","3259.8","0.18","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 Ge N2 -","- C35 H53 Ge N2 -","- C140 H212 Ge4 N8 -","4","0.5","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.0347","0.0322","","","0.0758","0.0769","","","","","","1.107","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106360","10.7845","0.0003","21.0658","0.0005","28.4655","0.0007","90","","90","","90","","6466.9","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H54 Ge N2 -","- C35 H54 Ge N2 -","- C280 H432 Ge8 N16 -","8","1","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.1707","0.0668","","","0.1451","0.1825","","","","","","1.013","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106361","12.668","0.003","18.474","0.004","18.756","0.004","118.73","0.03","92.63","0.03","100.38","0.03","3741","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H53 F3 N2 O3 S Sn -","- C36 H53 F3 N2 O3 S Sn -","- C144 H212 F12 N8 O12 S4 Sn4 -","4","2","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.0716","0.0385","","","0.0657","0.0755","","","","","","1.04","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106362","13.924","0.003","20.046","0.004","24.386","0.005","90","","90.09","0.03","90","","6807","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Cl Ge Mg2 N6 -","- C72 H94 Cl Ge Mg2 N6 -","- C288 H376 Cl4 Ge4 Mg8 N24 -","4","1","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.1395","0.0617","","","0.1104","0.1329","","","","","","1.014","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106363","14.666","0.0016","10.4157","0.0012","16.7525","0.0018","90","","113.904","0.002","90","","2339.6","0.4","223.1","","223","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H29 F3 Ir N O5 -","- C20 H29 F3 Ir N O5 -","- C80 H116 F12 Ir4 N4 O20 -","4","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.0471","","","","0.0647","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106364","17.8157","0.0013","8.8933","0.0007","20.7581","0.0016","90","","91.952","0.006","90","","3287","0.4","223","","223","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 Ir O9 S -","- C10 H25 Ir O9 S -","- C80 H200 Ir8 O72 S8 -","8","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.055","","","","0.0772","","","","","","1.126","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106365","11.059","0.0003","12.0323","0.0003","15.5916","0.0004","90","","90","","90","","2074.7","0.09","93.1","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl Ir N O3 -","- C20 H29 Cl Ir N O3 -","- C80 H116 Cl4 Ir4 N4 O12 -","4","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.0265","","","","0.05","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106366","16.51","0.003","14.417","0.003","14.91","0.003","90","","90","","90","","3548.9","1.2","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C88 H64 Cu4 F24 N16 O24 S8 -","4","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1096","0.0704","","0.2133","0.1965","","","","1.072","","","","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106367","28.5955","0.0013","28.5955","0.0013","18.0782","0.0008","90","","90","","90","","14782.6","1.2","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1069","0.0871","","0.2542","0.2398","","","","1.063","","","","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106368","28.564","0.002","28.564","0.002","18.2725","0.0013","90","","90","","90","","14908.6","1.8","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.0973","0.0899","","0.2636","0.2572","","","","1.044","","","","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106369","28.546","0.004","28.546","0.004","18.064","0.004","90","","90","","90","","14720","4","183","2","183","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1324","0.0992","","0.2754","0.2606","","","","1.081","","","","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106370","10.7441","0.0002","12.8452","0.0002","16.0582","0.0004","99.988","0.001","99.343","0.001","112.382","0.001","1953.68","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 B F8 Ir N8 -","- C42 H32 B F8 Ir N8 -","- C84 H64 B2 F16 Ir2 N16 -","2","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.0483","0.0432","","","0.1","0.1049","","","","","","1.011","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106371","11.0372","0.0003","12.6438","0.0004","12.8273","0.0005","84.336","0.002","84.36","0.001","89.064","0.003","1772.67","0.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl F4 Ir N9 -","- C36 H29 Cl F4 Ir N9 -","- C72 H58 Cl2 F8 Ir2 N18 -","2","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.092","0.0876","","","0.2568","0.2625","","","","","","1.084","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106372","12.2919","0.0007","15.2576","0.0006","18.8846","0.0011","72.215","0.002","81.976","0.003","73.821","0.004","3233.1","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H40 Cl2 F8 Ir2 N12 -","- C60 H40 Cl2 F8 Ir2 N12 -","- C120 H80 Cl4 F16 Ir4 N24 -","2","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","1.54178","CuKα","","0.0693","0.0557","","","0.1495","0.1568","","","","","","1.061","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106373","13.736","0.0002","15.4417","0.0002","19.8877","0.0003","90","","105.825","0.001","90","","4058.45","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 F10 Ir N8 O P -","- C43 H36 F10 Ir N8 O P -","- C172 H144 F40 Ir4 N32 O4 P4 -","4","1","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.0837","0.0621","","","0.1395","0.1564","","","","","","1.042","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106374","13.0906","0.0003","25.0294","0.0005","19.5896","0.0005","90","","91.78","0.001","90","","6415.4","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl F4 Ir N7 O0.5 -","- C34 H28 Cl F4 Ir N7 O0.5 -","- C272 H224 Cl8 F32 Ir8 N56 O4 -","8","2","","Jesús M. Fernández-Hernández; Cheng-Han Yang; Juan I. Beltrán; Vincent Lemaur; Federico Polo; Roland Fröhlich; Jêrôme Cornil; Luisa De Cola","Control of the Mutual Arrangement of Cyclometalated Ligands in Cationic Iridium(III) Complexes. Synthesis, Spectroscopy, and Electroluminescence of the Different Isomers","Journal of the American Chemical Society","2011","133","","10543","10558","10.1021/ja201691b","","","0.71073","MoKα","","0.1161","0.099","","","0.2538","0.2662","","","","","","1.215","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106375","13.328","0.0009","17.0039","0.0012","20.3398","0.0014","87.468","0.001","74.133","0.001","73.729","0.001","4253.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C105.55 H88.69 Fe2 N2 O9 S -","- C105.551 H88.694 Fe2 N2 O9 S -","- C211.102 H177.388 Fe4 N4 O18 S2 -","2","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.082","0.047","","","0.0906","0.1029","","","","","","1.016","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106376","15.1504","0.0018","17.19","0.002","17.956","0.002","117.07","0.002","92.599","0.002","108.544","0.002","3846.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C91.38 H82.57 Cl0.83 Fe2 N2 O9 S -","- C91.385 H82.579 Cl0.83 Fe2 N2 O9 S -","- C182.77 H165.158 Cl1.66 Fe4 N4 O18 S2 -","2","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.1152","0.0982","","","0.2493","0.2622","","","","","","1.076","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106377","16.6129","0.0008","20.5472","0.0009","21.677","0.0013","90","","107.376","0.001","90","","7061.7","0.6","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C66.91 H57 Ag Cl9.82 Fe2 N2 O17 S -","- C66.9124 H57 Ag Cl9.8248 Fe2 N2 O17 S -","- C267.65 H228 Ag4 Cl39.2992 Fe8 N8 O68 S4 -","4","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.0427","0.0402","","","0.1057","0.1082","","","","","","1.036","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106378","15.2273","0.0015","16.6307","0.0016","37.426","0.004","90","","92.975","0.002","90","","9465","1.6","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H96 Fe2 N2 O12 S -","- C120 H96 Fe2 N2 O12 S -","- C480 H384 Fe8 N8 O48 S4 -","4","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.0609","0.0472","","","0.1245","0.1334","","","","","","1.04","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106379","14.2464","0.0008","15.8784","0.0009","19.3834","0.0011","66.385","0.001","69.752","0.001","64.301","0.001","3540.4","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C172 H148 Fe4 N4 O20 S2 -","- C172 H148 Fe4 N4 O20 S2 -","- C172 H148 Fe4 N4 O20 S2 -","1","0.5","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.077","0.052","","","0.1198","0.1303","","","","","","1.079","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106380","12.2687","0.001","25.927","0.002","48.485","0.004","90","","90","","90","","15423","2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H72 Fe2 N5 O10.26 S -","- C90 H72 Fe2 N5 O10.253 S -","- C720 H576 Fe16 N40 O82.024 S8 -","8","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.1159","0.0906","","","0.1851","0.1961","","","","","","1.19","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106381","9.1283","0.0014","13.111","0.002","15.352","0.002","110.235","0.002","97.621","0.001","101.275","0.003","1650.2","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 Cl4 Cu P2 -","- C35 H33 Cl4 Cu P2 -","- C70 H66 Cl8 Cu2 P4 -","2","1","","Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes","Journal of the American Chemical Society","2011","133","","10348","10351","10.1021/ja202965y","","","0.71073","MoKα","","0.0668","0.0588","","","0.158","0.1654","","","","","","1.101","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106382","9.0987","0.0012","12.9326","0.0019","13.1036","0.0018","81.81","0.006","72.852","0.005","80.989","0.006","1447.6","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Br Cu P2 -","- C34 H32 Br Cu P2 -","- C68 H64 Br2 Cu2 P4 -","2","1","","Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes","Journal of the American Chemical Society","2011","133","","10348","10351","10.1021/ja202965y","","","0.71073","MoKα","","0.0711","0.0497","","","0.115","0.1313","","","","","","0.957","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106383","15.1308","0.0016","11.0116","0.001","18.3409","0.0018","90","","102.835","0.002","90","","2979.5","0.5","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu I P2 -","- C34 H32 Cu I P2 -","- C136 H128 Cu4 I4 P8 -","4","1","","Masashi Hashimoto; Satoshi Igawa; Masataka Yashima; Isao Kawata; Mikio Hoshino; Masahisa Osawa","Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes","Journal of the American Chemical Society","2011","133","","10348","10351","10.1021/ja202965y","","","0.71073","MoKα","","0.0422","0.0308","","","0.07","0.0772","","","","","","1.02","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106384","9.6087","0.0006","28.2031","0.0016","5.4415","0.0003","90","","90","","90","","1474.62","0.15","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Stepan Chuprakov; Jamal A. Malik; Mikhail Zibinsky; Valery V. Fokin","Catalytic Asymmetric C-H Insertions of Rhodium(II) Azavinyl Carbenes","Journal of the American Chemical Society","2011","133","","10352","10355","10.1021/ja202969z","","","1.54178","CuKα","","0.0288","0.0281","","","0.0776","0.0783","","","","","","0.999","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106385","5.8072","0.0003","12.3826","0.0005","22.37","0.0009","90","","90","","90","","1608.59","0.12","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","","Daniel A. DiRocco; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Enals with Nitroalkenes: Enhancement of Catalytic Efficiency through Bifunctional Additives","Journal of the American Chemical Society","2011","133","","10402","10405","10.1021/ja203810b","","","0.71073","MoKα","","0.0619","0.0379","","","0.0931","0.1594","","","","","","1.179","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106386","7.65","0.002","11.016","0.003","18.306","0.002","90","","94.81","0.01","90","","1537.3","0.6","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yoshihiro Oonishi; Akihito Hosotani; Yoshihiro Sato","Rh(I)-Catalyzed Formal [6 + 2] Cycloaddition of 4-Allenals with Alkynes or Alkenes in a Tether","Journal of the American Chemical Society","2011","133","","10386","10389","10.1021/ja203824v","","","0.7107","MoKα","","","0.0499","","","","0.0713","","","","","","1.884","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106387","6.926","0.0002","20.9628","0.001","24.1363","0.0008","90","","90","","90","","3504.3","0.2","150","2","150","2","","","","","","","synthesis as described","3","P n a a","-P 2ac 2bc","56","","","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","","Basker Sundararaju; Mathieu Achard; Gangavaram V. M. Sharma; Christian Bruneau","sp3 C-H Bond Activation with Ruthenium(II) Catalysts and C(3)-Alkylation of Cyclic Amines","Journal of the American Chemical Society","2011","133","","10340","10343","10.1021/ja203875d","","x-ray","0.71073","MoKα","","0.0609","0.0415","","","0.095","0.1055","","","","","","1.043","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106388","13.4976","0.0009","14.9955","0.0011","17.1276","0.0012","90","","90","","90","","3466.7","0.4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H49 F Hf2 N2 -","- C38 H49 F Hf2 N2 -","- C152 H196 F4 Hf8 N8 -","4","0.5","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0279","0.0199","","","0.0467","0.0495","","","","","","1.031","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106389","9.28","0.0019","18.39","0.004","23.14","0.005","90","","92.77","0.03","90","","3944.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 Hf2 N2 Si -","- C38 H58 Hf2 N2 Si -","- C152 H232 Hf8 N8 Si4 -","4","1","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0245","0.0202","","","0.0472","0.0489","","","","","","1.024","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106390","11.4624","0.0008","20.4735","0.0014","17.7603","0.0014","90","","92.51","0.004","90","","4163.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H69 Hf2 N3 Si -","- C45 H69 Hf2 N3 Si -","- C180 H276 Hf8 N12 Si4 -","4","1","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0494","0.0367","","","0.0824","0.0878","","","","","","1.054","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106391","41.29","0.006","9.5098","0.0013","19.378","0.003","90","","92.26","0.001","90","","7603","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H62 Hf2 N2 O1.5 Si -","- C41 H62 Hf2 N2 O1.5 Si -","- C328 H496 Hf16 N16 O12 Si8 -","8","1","","Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Silylation and Cleavage with a Hafnocene Complex","Journal of the American Chemical Society","2011","133","","10406","10409","10.1021/ja2042595","","","0.71073","MoKα","","0.0272","0.0175","","","0.0357","0.0386","","","","","","1.022","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4106392","15.8123","0.0017","10.6953","0.0012","20.997","0.002","90","","104.481","0.001","90","","3438.1","0.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Fe I N2 O2 Sc Si2 -","- C30 H54 Fe I N2 O2 Sc Si2 -","- C120 H216 Fe4 I4 N8 O8 Sc4 Si8 -","4","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0316","0.0257","","","0.0626","0.0656","","","","","","1.008","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106393","10.011","0.002","11.76","0.002","15.043","0.003","86.243","0.002","83.769","0.002","73.395","0.002","1686","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H100 Fe2 N4 Sc2 Si4 -","- C68 H100 Fe2 N4 Sc2 Si4 -","- C68 H100 Fe2 N4 Sc2 Si4 -","1","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.1105","0.0851","","","0.2043","0.2266","","","","","","1.004","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106394","26.691","0.007","16.168","0.004","32.429","0.011","90","","110.325","0.002","90","","13123","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Fe2 N4 Sc2 Si4 -","- C58 H86 Fe2 N4 Sc2 Si4 -","- C464 H688 Fe16 N32 Sc16 Si32 -","8","1","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0649","0.0431","","","0.1071","0.1158","","","","","","1.029","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106395","16.272","0.003","16.272","0.003","28.578","0.005","90","","90","","90","","7567","2","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C70 H110 Fe2 N8 Sc2 Si4 -","- C70 H110 Fe2 N8 Sc2 Si4 -","- C280 H440 Fe8 N32 Sc8 Si16 -","4","0.5","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0605","0.0391","","","0.0888","0.0995","","","","","","1.019","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106396","12.059","0.002","12.249","0.002","24.195","0.004","77.809","0.002","89.552","0.002","62.914","0.002","3094.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H86 Fe2 N4 Sc2 Si4 -","- C60 H86 Fe2 N4 Sc2 Si4 -","- C120 H172 Fe4 N8 Sc4 Si8 -","2","1","","Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu","Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand","Journal of the American Chemical Society","2011","133","","10410","10413","10.1021/ja204304f","","","0.71073","MoKα","","0.0859","0.0649","","","0.1767","0.1938","","","","","","1.037","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106397","6.2292","0.0004","13.004","0.0008","15.5592","0.001","90","","97.069","0.004","90","","1250.79","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","2","","Charles P. Frazier; Jarred R. Engelking; Javier Read de Alaniz","Copper-Catalyzed Aerobic Oxidation of Hydroxamic Acids Leads to a Mild and Versatile Acylnitroso Ene Reaction","Journal of the American Chemical Society","2011","133","","10430","10433","10.1021/ja204603u","","","1.54178","CuKα","","0.0609","0.0603","","","0.1657","0.1662","","","","","","2.515","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106398","9.881","0.002","9.6458","0.0019","13.423","0.003","90","","97.27","0.03","90","","1269.1","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H20 Cl4 -","- C32 H20 Cl4 -","- C64 H40 Cl8 -","2","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.0373","0.0345","","","0.0935","0.1043","","","","","","1.176","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106399","6.1198","0.0012","14.968","0.003","20.82","0.004","90","","92.52","0.03","90","","1905.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 O4 -","- C22 H16 Cl2 O4 -","- C88 H64 Cl8 O16 -","4","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.048","0.0434","","","0.1105","0.1138","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106400","13.834","0.003","17.699","0.004","10.49","0.002","90","","130.56","0.03","90","","1951.3","1.1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H7.5 Cl1.5 -","- C12 H7.5 Cl1.5 -","- C96 H60 Cl12 -","8","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","0.71073","MoKα","","0.0441","0.0333","","","0.0801","0.0844","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106401","11.473","0.0015","11.2327","0.0016","15.079","0.002","90","","97.682","0.009","90","","1925.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl3 -","- C24 H15 Cl3 -","- C96 H60 Cl12 -","4","1","","Zhong-Ke Yao; Zhi-Xiang Yu","Mechanisms of the Thermal Cyclotrimerizations of Fluoro- and Chloroacetylenes: Density Functional Theory Investigation and Intermediate Trapping Experiments","Journal of the American Chemical Society","2011","133","","10864","10877","10.1021/ja2021476","","","1.54186","CuKα","","0.053","0.0447","","","0.0945","0.099","","","","","","1.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106402","10.225","0.002","12.729","0.003","36.869","0.007","90","","93.69","0.03","90","","4788.7","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Co4(O2)2(bpbp)2(BDC)](PF6)4","","","- C80 H82 Co4 F24 N12 O10 P4 -","- C80 H82 Co4 F24 N12 O10 P4 -","- C160 H164 Co8 F48 N24 O20 P8 -","2","0.5","","Peter D. Southon; David J. Price; Pia K. Nielsen; Christine J. McKenzie; Cameron J. Kepert","Reversible and Selective O2 Chemisorption in a Porous Metal-Organic Host Material","Journal of the American Chemical Society","2011","133","","10885","10891","10.1021/ja202228v","","x-ray","0.652529","synchrotron","","0.0968","0.0904","","","0.2587","0.2658","","","","","","1.025","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106403","13.7017","0.0008","12.657","0.0006","20.2986","0.0015","90","","103.648","0.008","90","","3420.8","0.4","223","","223","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H75 Cl N2 O6 P2 Ru -","- C71 H75 Cl N2 O6 P2 Ru -","- C142 H150 Cl2 N4 O12 P4 Ru2 -","2","1","","Kazuhiko Matsumura; Noriyoshi Arai; Kiyoto Hori; Takao Saito; Noboru Sayo; Takeshi Ohkuma","Chiral Ruthenabicyclic Complexes: Precatalysts for Rapid, Enantioselective, and Wide-Scope Hydrogenation of Ketones","Journal of the American Chemical Society","2011","133","","10696","10699","10.1021/ja202296w","","","0.71075","MoKα","","","0.0687","","","","0.1917","","","","","","1.027","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106404","11.422","0.005","31.628","0.014","12.113","0.005","90","","95.339","0.01","90","","4357","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H74 N2 P2 Si Ti -","- C39 H74 N2 P2 Si Ti -","- C156 H296 N8 P8 Si4 Ti4 -","4","0.5","","Vincent N. Cavaliere; Marco G. Crestani; Balazs Pinter; Maren Pink; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Dehydrogenation of Ethane to Ethylene","Journal of the American Chemical Society","2011","133","","10700","10703","10.1021/ja202316m","","","0.71073","MoKα","","0.105","0.0626","","0.1707","0.1558","0.1707","","","","","","0.9579","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106405","14.204","0.002","12.406","0.002","25.237","0.005","90","","101.599","0.003","90","","4356.3","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 N2 O0.5 P2 Ti -","- C43 H71 N2 O0.5 P2 Ti -","- C172 H284 N8 O2 P8 Ti4 -","4","1","","Vincent N. Cavaliere; Marco G. Crestani; Balazs Pinter; Maren Pink; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Room Temperature Dehydrogenation of Ethane to Ethylene","Journal of the American Chemical Society","2011","133","","10700","10703","10.1021/ja202316m","","","0.71073","MoKα","","0.1435","0.0635","","","0.1192","0.1458","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106406","8.6027","0.0007","10.4781","0.0008","17.9484","0.0014","90","","96.017","0.001","90","","1609","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0387","0.0343","","","0.0923","0.0969","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106407","9.0692","0.0008","10.1549","0.0009","17.5809","0.0016","90","","101.023","0.001","90","","1589.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 I N O3 -","- C14 H18 I N O3 -","- C56 H72 I4 N4 O12 -","4","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0486","0.0299","","","0.058","0.0639","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106408","10.5493","0.0015","16.05","0.002","20.088","0.003","90","","90","","90","","3401.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C152 H160 N16 O32 -","8","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0911","0.0675","","","0.1556","0.1623","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106409","7.9952","0.0002","8.7279","0.0003","12.715","0.001","93.2104","0.001","94.7131","0.001","97.9838","0.0005","873.65","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 I N2 O4 -","- C18 H17 I N2 O4 -","- C36 H34 I2 N4 O8 -","2","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0194","0.018","","","0.0426","0.0432","","","","","","1.062","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106410","8.1287","0.0003","20.4002","0.0008","17.2759","0.0007","90","","92.13","0.001","90","","2862.83","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 I N3 O5 -","- C30 H32 I N3 O5 -","- C120 H128 I4 N12 O20 -","4","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0241","0.0224","","","0.053","0.0537","","","","","","1.104","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106411","5.739","0.003","10.225","0.006","12.543","0.007","82.33","0.02","77.27","0.02","75.35","0.02","692.2","0.7","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Kenji Mochida; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami","Direct Arylation of Polycyclic Aromatic Hydrocarbons through Palladium Catalysis","Journal of the American Chemical Society","2011","133","","10716","10719","10.1021/ja202975w","","","0.7107","MoKα","","0.0935","0.0599","","","0.1337","0.1552","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106412","7.91","0.003","29.258","0.011","8.208","0.003","90","","111.797","0.006","90","","1763.8","1.1","103","2","103","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 -","- C25 H20 -","- C100 H80 -","4","1","","Kenji Mochida; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami","Direct Arylation of Polycyclic Aromatic Hydrocarbons through Palladium Catalysis","Journal of the American Chemical Society","2011","133","","10716","10719","10.1021/ja202975w","","","0.7107","MoKα","","0.1193","0.0664","","","0.1331","0.1555","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106413","3.902","0.0015","12.153","0.005","19.4","0.008","85.547","0.012","85.134","0.011","78.235","0.012","895.7","0.6","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","1","","Kenji Mochida; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami","Direct Arylation of Polycyclic Aromatic Hydrocarbons through Palladium Catalysis","Journal of the American Chemical Society","2011","133","","10716","10719","10.1021/ja202975w","","","0.7107","MoKα","","0.0954","0.0564","","","0.1211","0.1419","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106414","9.3966","0.0017","18.915","0.003","25.413","0.005","90","","97.701","0.003","90","","4476.1","1.4","93.15","","93.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Cl3 N2 O3 Ti -","- C48 H59 Cl3 N2 O3 Ti -","- C192 H236 Cl12 N8 O12 Ti4 -","4","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0893","0.0707","","","0.1731","0.1888","","","","","","1.069","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106415","9.3439","0.0013","19.022","0.003","25.892","0.004","90","","98.68","0.002","90","","4549.3","1.2","93.15","","93.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Cl3 N2 O3 Zr -","- C48 H59 Cl3 N2 O3 Zr -","- C192 H236 Cl12 N8 O12 Zr4 -","4","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0723","0.0574","","","0.1202","0.1292","","","","","","1.123","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106416","14.9342","0.0018","21.214","0.003","23.28","0.003","90","","90","","90","","7375.4","1.7","93.15","","93.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 Cl Ge N2 O2 -","- C43 H49 Cl Ge N2 O2 -","- C344 H392 Cl8 Ge8 N16 O16 -","8","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0815","0.0745","","","0.1465","0.15","","","","","","1.253","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106417","9.453","0.004","18.891","0.009","25.813","0.012","90","","96.559","0.009","90","","4579","4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 Cl N2 O3 Sn -","- C47 H57 Cl N2 O3 Sn -","- C188 H228 Cl4 N8 O12 Sn4 -","4","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.2085","0.1637","","","0.3702","0.4006","","","","","","1.11","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106418","9.0424","0.0002","21.397","0.0005","10.3352","0.0003","90","","114.417","0.001","90","","1820.81","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C36 H44 Cl2 P2 Pd2 -","- C36 H44 Cl2 P2 Pd2 -","- C72 H88 Cl4 P4 Pd4 -","2","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.0754","0.0397","","","0.0596","0.0663","","","","","","0.829","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106419","9.5513","0.0002","9.6961","0.0002","20.0734","0.0006","90","","90","","90","","1859","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 O2 P -","- C20 H27 O2 P -","- C80 H108 O8 P4 -","4","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.1063","0.0602","","","0.1682","0.2272","","","","","","1.237","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106420","9.2291","0.0002","21.3493","0.0004","19.9819","0.0005","90","","93.583","0.001","90","","3929.43","0.15","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 O4 P2 Pd2 -","- C40 H50 O4 P2 Pd2 -","- C160 H200 O16 P8 Pd8 -","4","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.1206","0.0526","","","0.1362","0.1746","","","","","","1.057","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106421","9.2234","0.0003","14.0422","0.0004","13.6223","0.0005","90","","96.874","0.001","90","","1751.63","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H26 B P -","- C18 H26 B P -","- C72 H104 B4 P4 -","4","2","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.143","0.0783","","","0.2022","0.2556","","","","","","1.115","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106422","9.1415","0.0017","10.268","0.002","12.839","0.003","91.609","0.003","93.379","0.003","92.45","0.003","1201.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N4 O6 -","- C25 H26 N4 O6 -","- C50 H52 N8 O12 -","2","1","","Weiping Liu; Yuanming Li; Kaisheng Liu; Zhiping Li","Iron-Catalyzed Carbonylation-Peroxidation of Alkenes with Aldehydes and Hydroperoxides","Journal of the American Chemical Society","2011","133","","10756","10759","10.1021/ja204226n","","","0.71073","MoKα","","0.0697","0.0443","","","0.0975","0.1085","","","","","","1.032","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106423","19.851","0.004","19.999","0.004","22.525","0.005","100.93","0.03","96.65","0.03","117.31","0.03","7588","4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C119.03 H135.04 Cl6 N25.01 Nd2 O36 -","- C119.014 H135.021 Cl5.526 N25.007 Nd2 O34.104 -","- C238.028 H270.042 Cl11.052 N50.014 Nd4 O68.208 -","2","1","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0757","0.0566","","","0.153","0.1675","","","","","","1.045","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106424","22.88","0.02","24.28","0.02","25.54","0.01","90","","90","","90","","14188","18","220","","220","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C121.08 H130.62 Cl6 Lu2 N23.54 O37 -","- C121.08 H130.62 Cl6 Lu2 N23.54 O37 -","- C484.32 H522.48 Cl24 Lu8 N94.16 O148 -","4","0.5","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0645","0.0438","","0.1186","0.1065","0.1186","","","","","","0.987","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106425","11.095","0.002","17.5","0.004","19.417","0.004","65.38","0.03","75.41","0.03","81.08","0.03","3311.4","1.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39.5 N6.5 O4 -","- C36 H39.5 N6.5 O4 -","- C144 H158 N26 O16 -","4","2","","Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek","Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates","Journal of the American Chemical Society","2011","133","","10764","10767","10.1021/ja204474v","","","0.71073","MoKα","","0.0631","0.0485","","","0.1128","0.1205","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106426","15.1283","0.0004","15.9902","0.0004","16.2625","0.0004","90","","90","","90","","3933.97","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H45 Cl3 N8 O2 -","- C43 H45 Cl3 N8 O2 -","- C172 H180 Cl12 N32 O8 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","1.54178","CuKα","","0.0306","0.0305","","","0.0823","0.0824","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106427","41.6761","0.0019","7.7113","0.0003","10.0688","0.0005","90","","90","","90","","3235.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37.5 H28 Br Cl N4 O6 -","- C37.5 H28 Br Cl N4 O6 -","- C150 H112 Br4 Cl4 N16 O24 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","0.71073","MoKα","","0.0564","0.0476","","","0.0877","0.0899","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106428","7.3013","0.0002","7.5801","0.0002","32.8941","0.0008","90","","90","","90","","1820.51","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C88 H88 N16 O8 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","1.54178","CuKα","","0.0309","0.0306","","","0.0798","0.0802","","","","","","1.056","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106429","15.448","0.003","15.944","0.003","17.894","0.004","76.713","0.002","73.192","0.002","64.903","0.002","3791.4","1.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.268 H53 N4 Ni S2 Yb -","- C252.536 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.0831","0.082","","","0.2079","0.2089","","","","","","1.108","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106430","15.463","0.003","15.951","0.004","17.905","0.004","76.668","0.002","73.253","0.002","64.778","0.002","3796","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.276 H53 N4 Ni S2 Yb -","- C252.552 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.0862","0.0841","","","0.2127","0.2145","","","","","","1.084","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106431","15.506","0.002","15.969","0.002","17.94","0.003","76.616","0.002","73.388","0.002","64.727","0.002","3818.6","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.224 H53 N4 Ni S2 Yb -","- C252.448 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.1159","0.1116","","","0.2704","0.2735","","","","","","1.243","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106432","15.559","0.004","15.978","0.004","17.977","0.004","76.369","0.003","73.643","0.003","64.689","0.003","3842.2","1.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","Yb@C80Ni(OEP)","Yb@C80Ni(OEP)","","- C126 H53 N4 Ni S2 Yb -","- C126.254 H53 N4 Ni S2 Yb -","- C252.508 H106 N8 Ni2 S4 Yb2 -","2","1","","Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka","Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene","Journal of the American Chemical Society","2011","133","","10772","10775","10.1021/ja204653z","","","0.71073","MoKα","","0.175","0.1654","","","0.5174","0.5392","","","","","","2.692","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106433","17.1563","0.001","16.585","0.0008","24.7229","0.0014","90","","90.326","0.003","90","","7034.5","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H80 Cl2 N6 Ni6 O12 S6 -","- C67 H80 Cl2 N6 Ni6 O12 S6 -","- C268 H320 Cl8 N24 Ni24 O48 S24 -","4","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.065","0.0352","","","0.1043","0.1474","","","","","","1.142","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106434","15.661","0.003","18.078","0.003","18.236","0.003","90","","115.008","0.012","90","","4678.9","1.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 Cl2 N3 Ni3 O6 S3 -","- C49 H47 Cl2 N3 Ni3 O6 S3 -","- C196 H188 Cl8 N12 Ni12 O24 S12 -","4","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0375","0.0344","","","0.0855","0.0873","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106435","18.551","0.003","18.551","0.003","16.155","0.003","90","","90","","120","","4814.7","1.4","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C127 H80 Cl2 N6 Ni6 O12 S6 -","- C127 H79.98 Cl2.01 N6 Ni6 O12 S6 -","- C254 H159.96 Cl4.02 N12 Ni12 O24 S12 -","2","0.333333","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0471","0.0444","","","0.1127","0.1145","","","","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106436","13.2134","0.0015","16.8326","0.0017","27.248","0.003","92.936","0.002","94.129","0.002","94.028","0.002","6020.1","1.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C162 H94.5 Cl2 N6 Ni6 O12.25 S6 -","- C162 H94 Cl2 N6 Ni6 O12.25 S6 -","- C324 H188 Cl4 N12 Ni12 O24.5 S12 -","2","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.1285","0.056","","","0.1463","0.2119","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106437","20.479","0.003","20.479","0.003","21.481","0.004","90","","90","","120","","7802","2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C121 H104 Cl2 N6 Ni6 O12 S6 -","- C121.02 H104.04 Cl2.04 N6 Ni6 O12 S6 -","- C363.06 H312.12 Cl6.12 N18 Ni18 O36 S18 -","3","0.166667","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0579","0.0492","","","0.109","0.1129","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106438","46.302","0.006","13.8507","0.001","27.326","0.003","90","","98.033","0.009","90","","17353","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C127 H63 Cl N3 Ni3 O7 S3 -","- C127 H63 Cl N3 Ni3 O7 S3 -","- C1016 H504 Cl8 N24 Ni24 O56 S24 -","8","1","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0844","0.0648","","","0.1546","0.1671","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106439","17.151","0.003","17.537","0.003","26.583","0.008","90","","126.43","0.02","90","","6433","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H84 As10 Br2 N8 O60 V16 -","- C84 H84 As10 Br2 N8 O60 V16 -","- C168 H168 As20 Br4 N16 O120 V32 -","2","0.5","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1271","0.0928","","","0.1911","0.2069","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106440","14.081","0.003","17.115","0.003","29.922","0.006","88.9","0.03","85.19","0.03","65.84","0.03","6555","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H47 As10 Cl2 O62 V16 -","- C60 H47 As10 Cl2 O62 V16 -","- C120 H94 As20 Cl4 O124 V32 -","2","1","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.158","0.0937","","","0.2135","0.2375","","","","","","1.022","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106441","22.342","0.003","22.342","0.003","14.023","0.003","90","","90","","90","","7000","2","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H32 As8 Cl5 O62 V16 -","- C48 H32 As8 Cl5 O62 V16 -","- C96 H64 As16 Cl10 O124 V32 -","2","0.125","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1052","0.0818","","","0.2178","0.2353","","","","","","0.985","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106442","17.3","0.003","16.251","0.003","23.716","0.01","90","","90","","90","","6668","3","150","","150","","","","","","","","","6","I m m m","-I 2 2","71","","","","- C48 H40 As8 Cl4 O73 V20 -","- C48 H40 As8 Cl4 O73 V20 -","- C96 H80 As16 Cl8 O146 V40 -","2","0.125","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.0773","0.0731","","","0.2495","0.257","","","","","","1.081","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106443","16.028","0.002","16.028","0.002","27.269","0.005","90","","90","","90","","7005.3","1.8","150","","150","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C48 H32 As8 Cl10 O73 V24 -","- C48 H32 As8 Cl10 O73 V24 -","- C96 H64 As16 Cl20 O146 V48 -","2","0.0625","","Lei Zhang; Wolfgang Schmitt","From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages","Journal of the American Chemical Society","2011","133","","11240","11248","10.1021/ja2024004","","","0.71073","MoKα","","0.1271","0.1145","","","0.2658","0.2742","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106444","15.417","0.003","23.492","0.005","32.648","0.007","90","","90","","90","","11824","4","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H40 Fe N4 Ni2 O9 -","- C50 H40 Fe N4 Ni2 O9 -","- C400 H320 Fe8 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.094","0.089","","","0.2303","0.2408","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106445","15.571","0.003","23.296","0.005","32.328","0.007","90","","90","","90","","11727","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H54 N4 Ni2 O21 -","- C40 H30 N4 Ni2 O21 -","- C320 H240 N32 Ni16 O168 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0627","0.0593","","","0.1521","0.1559","","","","","","1.088","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106446","15.526","0.003","22.639","0.005","32.994","0.007","90","","90","","90","","11597","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H30 N4 Ni2 O9 -","- C40 H30 N4 Ni2 O9 -","- C320 H240 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0651","0.0598","","","0.1594","0.1664","","","","","","1.089","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106447","15.322","0.003","24.083","0.005","31.621","0.006","90","","90","","90","","11668","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C60 H46 N4 Ni2 O9 -","- C60 H46 N4 Ni2 O9 -","- C480 H368 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0578","0.0547","","","0.1449","0.1488","","","","","","1.063","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106448","15.483","0.003","23.434","0.005","32.448","0.007","90","","90","","90","","11773","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C94 H102 N8 Ni4 O25 -","- C94 H102 N8 Ni4 O25 -","- C376 H408 N32 Ni16 O100 -","4","0.25","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.1029","0.0861","","","0.2051","0.2172","","","","","","1.176","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106449","15.477","0.003","23.392","0.005","32.321","0.007","90","","90","","90","","11701","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C64 H52 N4 Ni2 O9 -","- C64 H52 N4 Ni2 O9 -","- C512 H416 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0694","0.0687","","","0.1814","0.1821","","","","","","1.197","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106450","8.3007","0.0008","15.6603","0.0014","9.3885","0.0009","90","","114.592","0.001","90","","1109.73","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Zn2(ox)3](H2O)6","","","- C10 H26 N2 O18 Zn2 -","- C10 H26 N2 O18 Zn2 -","- C20 H52 N4 O36 Zn4 -","2","0.5","","Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa","Hydroxyl Group Recognition by Hydrogen-Bonding Donor and Acceptor Sites Embedded in a Layered Metal-Organic Framework","Journal of the American Chemical Society","2011","133","","11050","11053","10.1021/ja203291n","","","0.71073","MoKα","","0.0175","0.0169","","","0.046","0.0463","","","","","","1.054","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106451","6.722","0.004","8.897","0.005","9.501","0.006","62.779","0.005","88.615","0.006","71.692","0.005","474.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{H3N(CH2)4NH3}[Zn2(ox)3](H2O)2","","","- C10 H18 N2 O14 Zn2 -","- C10 N2 O14 Zn2 -","- C10 N2 O14 Zn2 -","1","0.5","","Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa","Hydroxyl Group Recognition by Hydrogen-Bonding Donor and Acceptor Sites Embedded in a Layered Metal-Organic Framework","Journal of the American Chemical Society","2011","133","","11050","11053","10.1021/ja203291n","","","0.71073","MoKα","","0.047","0.0414","","","0.1108","0.1156","","","","","","1.102","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106452","10.6829","0.0017","12.2765","0.0017","13.262","0.002","71.844","0.005","89.526","0.007","76.509","0.005","1603.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H118 B2 Li2 O2 -","- C71 H118 B2 Li2 O2 -","- C71 H118 B2 Li2 O2 -","1","0.5","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane","Journal of the American Chemical Society","2011","133","","11058","11061","10.1021/ja203333j","","","0.71073","MoKα","","0.0674","0.0485","","","0.1298","0.1396","","","","","","1.085","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106453","13.328","0.002","15.242","0.003","19.666","0.003","100.058","0.0014","96.6371","0.0011","113.4","0.002","3533.7","1","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H129 B2 Li O6 -","- C74 H129 B2 Li O6 -","- C148 H258 B4 Li2 O12 -","2","1","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane","Journal of the American Chemical Society","2011","133","","11058","11061","10.1021/ja203333j","","","0.71073","MoKα","","","0.051","","","","0.1326","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106454","21.668","0.004","10.302","0.002","22.374","0.005","90","","91.61","0.013","90","","4992.4","1.7","40","","40","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 B2 D2 -","- C56 H90 B2 D2 -","- C224 H360 B8 D8 -","4","0.5","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane","Journal of the American Chemical Society","2011","133","","11058","11061","10.1021/ja203333j","","neutron","","white-beam","","0.0739","0.0651","","","0.1289","0.132","","","","","","1.011","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106455","12.2709","0.0016","15.242","0.002","12.2159","0.0016","90","","109.757","0.002","90","","2150.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 I2 O4 S2 -","- C38 H60 I2 O4 S2 -","- C76 H120 I4 O8 S4 -","2","0.5","","Chuanwen Lin; Takanori Endo; Masayoshi Takase; Masahiko Iyoda; Tohru Nishinaga","Structural, Optical, and Electronic Properties of a Series of 3,4-Propylenedioxythiophene Oligomers in Neutral and Various Oxidation States","Journal of the American Chemical Society","2011","133","","11339","11350","10.1021/ja2035442","","","0.71073","MoKα","","0.0469","0.0353","","","0.0893","0.0978","","","","","","1.044","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106456","15.458","0.002","15.849","0.002","26.379","0.004","102.989","0.002","93.986","0.002","100.137","0.002","6158.8","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2","","","- C80 H96 Cu8 O32 S8 -","- C80 H88 Cu8 O32 S8 -","- C160 H176 Cu16 O64 S16 -","2","1","","Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules","Journal of the American Chemical Society","2011","133","","11069","11071","10.1021/ja203651v","","","0.71073","MoKα","","0.0952","0.0652","","","0.188","0.2011","","","","","","1.197","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106457","15.268","0.004","15.399","0.004","26.583","0.006","103.563","0.003","96.004","0.003","97.402","0.003","5966","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","3","","","- C102 H96 Cu8 N6 O28 S4 -","- C102 H88 Cu8 N6 O28 S4 -","- C204 H176 Cu16 N12 O56 S8 -","2","1","","Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules","Journal of the American Chemical Society","2011","133","","11069","11071","10.1021/ja203651v","","","0.7749","synchrotron","","0.1369","0.0928","","","0.2289","0.2422","","","","","","1.29","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106458","14.4861","0.0005","14.5856","0.0005","22.0546","0.0007","75.001","0.002","75.107","0.002","67.849","0.002","4102.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","4","","","- C80 H72 Cu8 N3 O27.5 -","- C80 H58 Cu8 N3 O27.5 -","- C160 H116 Cu16 N6 O55 -","2","1","","Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules","Journal of the American Chemical Society","2011","133","","11069","11071","10.1021/ja203651v","","","0.7749","synchrotron","","0.0697","0.0451","","","0.1122","0.12","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106459","9.5116","0.0007","32.412","0.003","9.5796","0.0007","90","","118.619","0.001","90","","2592.5","0.4","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0866","0.0698","","","0.1901","0.2057","","","","","","1.037","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106460","6.4749","0.0009","11.6128","0.0017","7.7449","0.0011","90","","109.299","0.002","90","","549.63","0.14","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C26 H28 O4 -","2","1","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0412","0.0383","","","0.1053","0.1091","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106461","9.3444","0.0012","9.3565","0.0012","9.4457","0.0012","90.583","0.002","105.545","0.002","113.659","0.002","722.25","0.16","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Kenichiro Nakai; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Cycloaddition of o-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon-Carbon σ Bonds","Journal of the American Chemical Society","2011","133","","11066","11068","10.1021/ja203829j","","","0.71073","MoKα","","0.0553","0.0475","","","0.1398","0.1475","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106462","8.7173","0.0004","8.5002","0.0003","9.0429","0.0003","90","","96.081","0.002","90","","666.3","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2011","133","","11076","11079","10.1021/ja2040738","","","0.71073","MoKα","","0.0762","0.071","","","0.2593","0.2667","","","","","","1.166","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106463","12.6824","0.0001","17.147","0.0002","17.4894","0.0002","82.6288","0.0005","84.1492","0.0005","86.771","0.0005","3748.65","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H88 B2 F24 Ir N P2 -","- C69 H88 B2 F24 Ir N P2 -","- C138 H176 B4 F48 Ir2 N2 P4 -","2","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2011","133","","11076","11079","10.1021/ja2040738","","","0.71073","MoKα","","0.0524","0.0368","","","0.0781","0.0843","","","","","","1.041","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106464","13.418","0.003","14.765","0.003","23.308","0.006","72.626","0.013","74.181","0.01","69.118","0.012","4045.4","1.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H104 B3 Cl8 Ir N2 P2 -","- C67 H104 B3 Cl8 Ir N2 P2 -","- C134 H208 B6 Cl16 Ir2 N4 P4 -","2","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2011","133","","11076","11079","10.1021/ja2040738","","","0.6889","MoKα","","0.0582","0.0487","","0.1069","0.0984","0.1069","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106465","13.4081","0.0005","13.6329","0.0006","19.9252","0.0008","79.247","0.001","81.738","0.001","84.019","0.001","3529.8","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H83 N2 P3 Pb Pd -","- C82 H67 N2 P3 Pb Pd -","- C164 H134 N4 P6 Pb2 Pd2 -","2","1","","Dennis Heitmann; Tania Pape; Alexander Hepp; Christian Mück-Lichtenfeld; Stefan Grimme; F. Ekkehardt Hahn","Palladium and Platinum Complexes of a Benzannulated N-Heterocyclic Plumbylene with an Unusual Bonding Mode","Journal of the American Chemical Society","2011","133","","11118","11120","10.1021/ja204955f","","","0.71073","MoKα","","0.0501","0.0392","","","0.1059","0.1154","","","","","","0.919","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106466","13.4074","0.0006","13.6036","0.0006","19.8815","0.0008","79.186","0.001","81.777","0.001","83.868","0.001","3513.2","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H83 N2 P3 Pb Pt -","- C82 H67 N2 P3 Pb Pt -","- C164 H134 N4 P6 Pb2 Pt2 -","2","1","","Dennis Heitmann; Tania Pape; Alexander Hepp; Christian Mück-Lichtenfeld; Stefan Grimme; F. Ekkehardt Hahn","Palladium and Platinum Complexes of a Benzannulated N-Heterocyclic Plumbylene with an Unusual Bonding Mode","Journal of the American Chemical Society","2011","133","","11118","11120","10.1021/ja204955f","","","0.71073","MoKα","","0.0483","0.036","","","0.0894","0.0975","","","","","","1.034","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106467","30.5678","0.0001","30.5678","0.0001","30.5678","0.0001","90","","90","","90","","28562.3","0.16","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C67.5 H65.5 Ag3 Mo2 N17.5 O14.5 -","- C67.5 H48 Ag3 Mo2 N17.5 O10 -","- C1080 H768 Ag48 Mo32 N280 O160 -","16","0.333333","","Hua Wu; Jin Yang; Zhong-Min Su; Stuart R. Batten; Jian-Fang Ma","An Exceptional 54-Fold Interpenetrated Coordination Polymer with 103-srs Network Topology","Journal of the American Chemical Society","2011","133","","11406","11409","10.1021/ja202303b","","","1.54184","CuKα","","0.0731","0.0695","","","0.183","0.1873","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106468","33.515","0.005","18.955","0.003","30.323","0.005","90","","92.511","0.002","90","","19245","5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C236 H192.5 N12 O37 Pd2 -","- C236 H192.5 N12 O37 Pd2 -","- C944 H770 N48 O148 Pd8 -","4","1","","Norifumi Kishi; Zhiou Li; Kenji Yoza; Munetaka Akita; Michito Yoshizawa","An M2L4 Molecular Capsule with an Anthracene Shell: Encapsulation of Large Guests up to 1 nm","Journal of the American Chemical Society","2011","133","","11438","11441","10.1021/ja2037029","","","0.71073","MoKα","","0.1732","0.1042","","","0.2645","0.3002","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106469","20.323","0.002","23.546","0.002","24.072","0.002","88.798","0.002","69.662","0.001","81.041","0.001","10662.3","1.6","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C213.5 H160 N12 O47 Pd2 -","- C213.5 H160 N12 O47 Pd2 -","- C427 H320 N24 O94 Pd4 -","2","1","","Norifumi Kishi; Zhiou Li; Kenji Yoza; Munetaka Akita; Michito Yoshizawa","An M2L4 Molecular Capsule with an Anthracene Shell: Encapsulation of Large Guests up to 1 nm","Journal of the American Chemical Society","2011","133","","11438","11441","10.1021/ja2037029","","","0.71073","MoKα","","0.1412","0.0943","","","0.2877","0.3252","","","","","","1.166","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106470","19.516","0.004","12.763","0.002","28.775","0.005","90","","90","","90","","7167","2","123.1","","123.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H29 F18 N6 O2 P3 Ru -","- C28 H27 F18 N6 O2 P3 Ru -","- C224 H216 F144 N48 O16 P24 Ru8 -","8","1","","Takahiko Kojima; Kazuya Nakayama; Kenichiro Ikemura; Takashi Ogura; Shunichi Fukuzumi","Formation of a Ruthenium(IV)-Oxo Complex by Electron-Transfer Oxidation of a Coordinatively Saturated Ruthenium(II) Complex and Detection of Oxygen-Rebound Intermediates in C-H Bond Oxygenation","Journal of the American Chemical Society","2011","133","","11692","11700","10.1021/ja2037645","","","0.7107","MoKα","","","0.0871","","","","0.2005","","","","","","1.237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106471","6.8663","0.0017","13.572","0.003","11.058","0.003","90","","103.851","0.004","90","","1000.5","0.4","123.1","","123.1","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 N4 -","- C12 H8 N4 -","- C48 H32 N16 -","4","1","","Kosuke Namba; Ayumi Osawa; Shoji Ishizaka; Noboru Kitamura; Keiji Tanino","Direct Synthesis of Fluorescent 1,3a,6a-Triazapentalene Derivatives via Click-Cyclization-Aromatization Cascade Reaction","Journal of the American Chemical Society","2011","133","","11466","11469","10.1021/ja203917r","","","0.7107","MoKα","","","0.0461","","","","0.1106","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106472","22.313","0.0014","13.3374","0.0008","19.3698","0.0012","90","","90.352","0.002","90","","5764.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H172 Li2 O8 Si12 U2 -","- C80 H148 Li2 O8 Si12 U2 -","- C160 H296 Li4 O16 Si24 U4 -","2","0.5","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.1234","0.0456","","","0.1196","0.1474","","","","","","0.924","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106473","13.0591","0.0016","13.0591","0.0016","16.136","0.004","90","","90","","120","","2383.2","0.7","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C32 H40 Li O8 Si3 U -","- C32 H24 Li O8 Si3 U -","- C64 H48 Li2 O16 Si6 U2 -","2","0.166667","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0419","0.0355","","","0.1002","0.1038","","","","","","1.308","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106474","14.946","0.002","16.125","0.003","15.267","0.002","90","","91.738","0.002","90","","3677.7","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H61 Ag O4 Si3 U -","- C24 H52 Ag O4 Si3 U -","- C96 H208 Ag4 O16 Si12 U4 -","4","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.058","0.0411","","","0.1026","0.1095","","","","","","0.989","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106475","12.3874","0.0004","12.3874","0.0004","19.4321","0.0014","90","","90","","90","","2981.8","0.3","150","2","150","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C40 H74 Li O9 Si4 U -","- C40 Li O9 Si4 U -","- C80 Li2 O18 Si8 U2 -","2","0.125","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0674","0.0392","","","0.0973","0.1099","","","","","","1.177","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106476","11.0534","0.0016","15.79","0.002","19.038","0.003","90","","92.248","0.002","90","","3320.2","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Cl4 Li O8 U -","- C20 H48 Cl4 Li O8 U -","- C80 H192 Cl16 Li4 O32 U4 -","4","1","","Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton","High-Valent Uranium Alkyls: Evidence for the Formation of UVI(CH2SiMe3)6","Journal of the American Chemical Society","2011","133","","11732","11743","10.1021/ja204151v","","","0.71073","MoKα","","0.0503","0.035","","","0.0856","0.0922","","","","","","1.001","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106477","13.885","0.004","4.4332","0.0009","10.874","0.002","90","","103.141","0.012","90","","651.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- B5 Be6 Cs Na2 O15 -","- B5 Be6 Cs Na2 O15 -","- B10 Be12 Cs2 Na4 O30 -","2","0.5","","Shichao Wang; Ning Ye","Na2CsBe6B5O15: An Alkaline Beryllium Borate as a Deep-UV Nonlinear Optical Crystal","Journal of the American Chemical Society","2011","133","","11458","11461","10.1021/ja204179g","","","0.71073","MoKα","","0.0192","0.0186","","","0.0456","0.0459","","","","","","1.027","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106478","8.902","0.002","11.717","0.003","23.448","0.006","90","","90","","90","","2445.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33.5 N O8 P2 -","- C19 H33 N O8 P2 -","- C76 H132 N4 O32 P8 -","4","1","","Zhi-Yong Xue; Qing-Hua Li; Hai-Yan Tao; Chun-Jiang Wang","A Facile Cu(I)/TF-Bipham Phos-Catalyzed Asymmetric Approach to Unnatural α-Amino Acid Derivatives Containinggem-Bisphosphonates","Journal of the American Chemical Society","2011","133","","11757","11765","10.1021/ja2043563","","","0.71073","MoKα","","0.0953","0.0695","","","0.1746","0.186","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106479","12.3348","0.0009","13.9342","0.0011","22.0311","0.0017","90","","101.403","0.001","90","","3711.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl4 F2 N2 O2 -","- C36 H48 Cl4 F2 N2 O2 -","- C144 H192 Cl16 F8 N8 O8 -","4","1","","Pingping Tang; Weike Wang; Tobias Ritter","Deoxyfluorination of Phenols","Journal of the American Chemical Society","2011","133","","11482","11484","10.1021/ja2048072","","","0.71073","MoKα","","0.0718","0.0579","","","0.1442","0.1547","","","","","","1.024","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106480","16.8925","0.0006","17.2396","0.0006","7.5829","0.0003","90","","90","","90","","2208.29","0.14","153","2","153","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C24 H24 Cl Ir N2 O2 -","- C24 H24 Cl Ir N2 O2 -","- C96 H96 Cl4 Ir4 N8 O8 -","4","0.5","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.0215","0.0204","","","0.0489","0.0493","","","","","","1.06","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106481","13.0461","0.0012","14.4131","0.0013","14.9493","0.0014","108.111","0.001","98.045","0.001","94.205","0.001","2625","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H74 Cl4 Ir2 N2 O2 Si2 -","- C46 H74 Cl4 Ir2 N2 O2 Si2 -","- C92 H148 Cl8 Ir4 N4 O4 Si4 -","2","1","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.0655","0.0339","","","0.0702","0.0808","","","","","","0.969","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106482","16.976","0.0004","16.976","0.0004","43.55","0.002","90","","90","","90","","12550.4","0.7","153","2","153","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72 H76 Cl8 Ir4 N8 O8 -","- C72 H76 Cl8 Ir4 N8 O8 -","- C288 H304 Cl32 Ir16 N32 O32 -","4","0.25","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.1067","0.0762","","","0.1743","0.1913","","","","","","1.15","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106483","16.4706","0.0001","17.2338","0.0001","17.5333","0.0001","90","","90","","90","","4976.85","0.05","150","","150","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H54 B2 Cl9 Ir N P3 -","- C39 H54 B2 Cl9 Ir N P3 -","- C156 H216 B8 Cl36 Ir4 N4 P12 -","4","0.5","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0313","0.0247","","0.0676","0.061","0.0676","","","","","","0.9275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106484","16.371","0.0004","14.3825","0.0002","15.8506","0.0004","90","","109.749","0.003","90","","3512.6","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H51 B Cl Ir N P3 -","- C21 H51 B Cl Ir N P3 -","- C84 H204 B4 Cl4 Ir4 N4 P12 -","4","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0504","0.0311","","0.0909","0.0751","0.0908","","","","","","0.8669","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106485","12.1078","0.0001","15.4482","0.0002","15.9503","0.0002","107.918","0.0005","93.8315","0.0005","100.164","0.0005","2770.69","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H63 B2 Cl8 Ir N P3 -","- C45 H63 B2 Cl8 Ir N P3 -","- C90 H126 B4 Cl16 Ir2 N2 P6 -","2","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","0.71073","MoKα","","0.0495","0.0349","","0.0715","0.0615","0.0715","","","","","","0.9632","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106486","13.13813","0.00009","21.35767","0.00018","25.9754","0.0002","90","","90","","90","","7288.69","0.1","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H61 B2 F24 Ir N P3 -","- C53 H61 B2 F24 Ir N P3 -","- C212 H244 B8 F96 Ir4 N4 P12 -","4","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","1.54184","CuKα","","0.0715","0.0692","","0.1997","0.1954","0.1997","","","","","","0.9868","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106487","9.3927","0.0005","17.0136","0.0009","17.322","0.0009","111.963","0.001","95.437","0.001","99.02","0.001","2499.7","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 N O2 S Si3 -","- C19 H31 N O2 S Si3 -","- C76 H124 N4 O8 S4 Si12 -","4","2","","Tatsumi Ochiai; Masaaki Nakamoto; Yusuke Inagaki; Akira Sekiguchi","Sulfur-Substituted Tetrahedranes","Journal of the American Chemical Society","2011","133","","11504","11507","10.1021/ja205361a","","","0.71073","MoKα","","0.0418","0.0322","","","0.0805","0.0866","","","","","","1.021","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106488","20.2544","0.0019","13.9007","0.0013","20.932","0.002","90","","117.69","0.001","90","","5218.5","0.9","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,4-dinitrophenyl)thiotetrahedrane","","- C19 H30 N2 O4 S Si3 -","- C19 H30 N2 O4 S Si3 -","- C152 H240 N16 O32 S8 Si24 -","8","2","","Tatsumi Ochiai; Masaaki Nakamoto; Yusuke Inagaki; Akira Sekiguchi","Sulfur-Substituted Tetrahedranes","Journal of the American Chemical Society","2011","133","","11504","11507","10.1021/ja205361a","","","0.71073","MoKα","","0.0642","0.056","","","0.1573","0.1613","","","","","","1.112","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106489","17.366","0.003","9.143","0.0016","17.699","0.003","90","","119.157","0.002","90","","2454.1","0.7","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O2 S Si3 -","- C19 H32 O2 S Si3 -","- C76 H128 O8 S4 Si12 -","4","1","","Tatsumi Ochiai; Masaaki Nakamoto; Yusuke Inagaki; Akira Sekiguchi","Sulfur-Substituted Tetrahedranes","Journal of the American Chemical Society","2011","133","","11504","11507","10.1021/ja205361a","","","0.71073","MoKα","","0.0431","0.0321","","","0.08","0.0865","","","","","","1.008","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106490","6.6731","0.0019","11.562","0.003","11.907","0.003","77.83","0.004","76.546","0.004","80.917","0.004","867.6","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 B Cl N4 O6 -","- C15 H14 B Cl N4 O6 -","- C30 H28 B2 Cl2 N8 O12 -","2","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Boron in Disguise: The Parent ""Fused"" BN Indole","Journal of the American Chemical Society","2011","133","","11508","11511","10.1021/ja205779b","","","0.71073","MoKα","","0.0736","0.0594","","","0.1618","0.1737","","","","","","1.071","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106491","7.091","0.004","11.046","0.006","13.008","0.007","104.199","0.009","99.358","0.009","107.318","0.008","911.9","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 B F4 N2 Si -","- C17 H21 B F4 N2 Si -","- C34 H42 B2 F8 N4 Si2 -","2","1","","Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu","Boron in Disguise: The Parent ""Fused"" BN Indole","Journal of the American Chemical Society","2011","133","","11508","11511","10.1021/ja205779b","","","0.71073","MoKα","","0.1497","0.0807","","","0.1779","0.216","","","","","","0.986","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106492","26.8541","0.0003","26.8541","0.0003","26.8541","0.0003","90","","90","","90","","19365.6","0.4","298","2","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","Barium oxonitridophosphate chloride","Barium oxonitridophosphate chloride","","- Ba19 Cl12.54 N61.46 O10.54 P36 -","- Ba19 Cl12.536 N61.488 O10.512 P36 -","- Ba152 Cl100.288 N491.904 O84.096 P288 -","8","0.0416667","","Stefan J. Sedlmaier; Markus Döblinger; Oliver Oeckler; Johannes Weber; Jörn Schmedt auf der Günne; Wolfgang Schnick","Unprecedented Zeolite-Like Framework Topology Constructed from Cages with 3-Rings in a Barium Oxonitridophosphate","Journal of the American Chemical Society","2011","133","","12069","12078","10.1021/ja202159e","powder diffraction","x-ray","0.39998","synchrotron","","","","","","","","0.077","","5.172","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106493","37.5399","0.0017","12.9489","0.0006","22.7366","0.001","90","","127.247","0.001","90","","8798","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 Cu F6 N2 O2 P2 -","- C51 H41 Cu F6 N2 O2 P2 -","- C408 H328 Cu8 F48 N16 O16 P16 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0716","0.0584","","","0.163","0.1742","","","","","","1.107","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106494","13.9226","0.0009","20.2681","0.0012","18.113","0.001","90","","90.146","0.001","90","","5111.2","0.5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H41 Cl4 Cu F6 N2 O P2 -","- C55 H41 Cl4 Cu F6 N2 O P2 -","- C220 H164 Cl16 Cu4 F24 N8 O4 P8 -","4","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0544","0.0443","","","0.1033","0.1092","","","","","","1.029","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106495","15.8784","0.0007","21.1674","0.0009","23.6769","0.001","90","","90","","90","","7957.9","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H33 Ag F6 N2 O P2 -","- C47 H33 Ag F6 N2 O P2 -","- C376 H264 Ag8 F48 N16 O8 P16 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0863","0.069","","","0.1318","0.1385","","","","","","1.216","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106496","8.7933","0.0004","10.1944","0.0004","16.6221","0.0007","73.123","0.001","75.27","0.001","64.73","0.001","1274.71","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 Au F6 N2 P -","- C29 H20 Au F6 N2 P -","- C58 H40 Au2 F12 N4 P2 -","2","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0327","0.0292","","","0.0617","0.0634","","","","","","1.03","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106497","10.3486","0.0005","11.5288","0.0005","13.3285","0.0006","83.087","0.001","85.517","0.001","76.607","0.001","1533.61","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 Au F6 N2 P -","- C35 H24 Au F6 N2 P -","- C70 H48 Au2 F12 N4 P2 -","2","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.024","0.022","","","0.0486","0.0494","","","","","","1.025","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106498","13.9852","0.0004","10.6777","0.0004","38.8186","0.0014","90","","97.035","0.001","90","","5753.1","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H22 Au F6 N2 P -","- C33 H22 Au F6 N2 P -","- C264 H176 Au8 F48 N16 P8 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0283","0.0253","","","0.0507","0.0517","","","","","","1.12","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106499","11.607","0.002","11.6091","0.0012","6.7825","0.0014","90","","119.57","0.03","90","","794.9","0.3","193","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","hydrazoic acid","hydrogen azide","","- H N3 -","- H N3 -","- H16 N48 -","16","4","","Jürgen Evers; Michael Göbel; Burkhard Krumm; Franz Martin; Sergey Medvedyev; Gilbert Oehlinger; Franz Xaver Steemann; Ivan Troyan; Thomas M. Klapötke; Mikhail I. Eremets","Molecular Structure of Hydrazoic Acid with Hydrogen-Bonded Tetramers in Nearly Planar Layers","Journal of the American Chemical Society","2011","133","","12100","12105","10.1021/ja2027053","","","0.71069","MoKα","","0.0244","0.0208","","","0.0494","0.0504","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106500","12.9378","0.0008","8.0214","0.0006","20.4472","0.0011","90","","96.7134","0.0018","90","","2107.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","YS-11-04","trans-3,4-dibenzoyl-tosylpyrrolidine","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Yosuke Ashikari; Toshiki Nokami; Jun-ichi Yoshida","Integrated Electrochemical-Chemical Oxidation Mediated by Alkoxysulfonium Ions","Journal of the American Chemical Society","2011","133","","11840","11843","10.1021/ja202880n","","","0.71075","MoKα","","0.0428","0.0366","","","0.0951","0.0988","","","","","","1.013","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106501","9.418","","18.758","","11.532","","90","","98.94","","90","","2012.53","","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","YS-12-30","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Yosuke Ashikari; Toshiki Nokami; Jun-ichi Yoshida","Integrated Electrochemical-Chemical Oxidation Mediated by Alkoxysulfonium Ions","Journal of the American Chemical Society","2011","133","","11840","11843","10.1021/ja202880n","","","0.71075","MoKα","","0.0837","0.0455","","","0.1151","0.1366","","","","","","1.22","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106502","18.9944","0.0006","11.5379","0.0004","23.2756","0.0007","90","","93.444","0.002","90","","5091.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49.4 H63 Al N4 Na O5 -","- C49.4 H63 Al N4 Na O5 -","- C197.6 H252 Al4 N16 Na4 O20 -","4","1","","Thomas W. Myers; Louise A. Berben","Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds","Journal of the American Chemical Society","2011","133","","11865","11867","10.1021/ja203842s","","","1.54178","CuKα","","0.102","0.0839","","","0.2374","0.2552","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106503","13.444","0.001","12.1181","0.0009","33.736","0.003","90","","94.184","0.002","90","","5481.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H88 Al N5 -","- C59 H88 Al N5 -","- C236 H352 Al4 N20 -","4","1","","Thomas W. Myers; Louise A. Berben","Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds","Journal of the American Chemical Society","2011","133","","11865","11867","10.1021/ja203842s","","","0.71073","MoKα","","0.2024","0.0753","","","0.1741","0.242","","","","","","1.089","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106504","21.4551","0.0009","9.6906","0.0004","16.8461","0.0007","90","","113.183","0.001","90","","3219.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H92 Al2 N8 O2 -","- C72 H90 Al2 N8 O2 -","- C144 H180 Al4 N16 O4 -","2","0.25","","Thomas W. Myers; Louise A. Berben","Countercations Direct One- or Two-Electron Oxidation of an Al(III) Complex and Al(III)-Oxo Intermediates Activate C-H Bonds","Journal of the American Chemical Society","2011","133","","11865","11867","10.1021/ja203842s","","","0.71073","MoKα","","0.0926","0.0549","","","0.1534","0.1662","","","","","","0.955","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106505","16.26","0.003","14.869","0.003","13.469","0.003","90","","90","","90","","3256.4","1.1","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H34 Cl2 Fe N6 O8 -","- C30 H34 Cl2 Fe N6 O8 -","- C120 H136 Cl8 Fe4 N24 O32 -","4","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.0799","0.0414","","","0.0775","0.0839","","","","","","0.814","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106506","10.064","0.0005","23.0863","0.0012","30.1822","0.0016","90","","90","","90","","7012.5","0.6","170","2","170","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","cis-beta iron(II)(BQCN)(CH~3~CN)~2~ triflate","cis-beta-Fe(II)(C~26~H~28~N~4~)(CH~3~CN)~2~(CF~3~SO~3~)~2~","","- C32 H34 F6 Fe N6 O6 S2 -","- C32 H34 F6 Fe N6 O6 S2 -","- C256 H272 F48 Fe8 N48 O48 S16 -","8","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.112","0.046","","","0.0888","0.0959","","","","","","0.743","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106507","11.0504","0.0012","12.5528","0.0014","24.338","0.003","90","","93.989","0.002","90","","3367.8","0.7","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-beta iron(II)(BQCN) triflate monoacetonitrile","cis-beta-Fe(II)(C~26~H~28~N~4~)(CF~3~SO~3~)~2~(CH~3~CN)","","- C30 H31 F6 Fe N5 O6 S2 -","- C30 H31 F6 Fe N5 O6 S2 -","- C120 H124 F24 Fe4 N20 O24 S8 -","4","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.068","0.0425","","","0.0888","0.0934","","","","","","0.869","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106508","27.1144","0.0003","15.1513","0.0002","8.5484","0.0001","90","","90","","90","","3511.84","0.07","160","1","160","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H33 B11 Cl6 F2 Si -","- C26 H33 B11 Cl6 F2 Si -","- C104 H132 B44 Cl24 F8 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0501","0.0373","","","0.0845","0.0912","","","","","","1.029","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106509","11.54215","0.00011","14.69775","0.00017","19.3449","0.0002","90","","94.908","0.001","90","","3269.71","0.06","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26.86 B11 Cl6.14 F2 Si -","- C23 H26.8639 B11 Cl6.1361 F2 Si -","- C92 H107.456 B44 Cl24.5444 F8 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0376","0.0279","","","0.0794","0.0822","","","","","","1.06","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106510","9.47605","0.00007","18.88054","0.00014","20.51762","0.00018","90","","90","","90","","3670.87","0.05","293","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 B11 Cl8 Si -","- C25 H31 B11 Cl8 Si -","- C100 H124 B44 Cl32 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0339","0.028","","","0.0687","0.0702","","","","","","1.026","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106511","9.0439","0.0011","10.4536","0.0013","12.3764","0.0016","68.485","0.002","84.128","0.002","77.745","0.002","1063.4","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","10016a","","","- C15 H35 Cl2 Fe N7 -","- C15 H35 Cl2 Fe N7 -","- C30 H70 Cl4 Fe2 N14 -","2","1","","Jason England; Yisong Guo; Katherine M. Van Heuvelen; Matthew A. Cranswick; Gregory T. Rohde; Emile L. Bominaar; Eckard Münck; Lawrence Que","A More Reactive Trigonal-Bipyramidal High-Spin Oxoiron(IV) Complex with a cis-Labile Site","Journal of the American Chemical Society","2011","133","","11880","11883","10.1021/ja2040909","","","0.71073","MoKα","","0.0318","0.0259","","","0.0651","0.0683","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106512","18.512","0.003","9.1559","0.0014","17.378","0.003","90","","106.291","0.002","90","","2827.2","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","09197a","","","- C17 H35 F6 Fe N7 O6 S2 -","- C17 H35 F6 Fe N7 O6 S2 -","- C68 H140 F24 Fe4 N28 O24 S8 -","4","1","","Jason England; Yisong Guo; Katherine M. Van Heuvelen; Matthew A. Cranswick; Gregory T. Rohde; Emile L. Bominaar; Eckard Münck; Lawrence Que","A More Reactive Trigonal-Bipyramidal High-Spin Oxoiron(IV) Complex with a cis-Labile Site","Journal of the American Chemical Society","2011","133","","11880","11883","10.1021/ja2040909","","","0.71073","MoKα","","0.0581","0.0379","","","0.0732","0.0798","","","","","","1.014","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106513","27.2749","0.0018","27.2749","0.0018","87.561","0.005","90","","90","","120","","56412","6","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C38 H38 B2 N12 O5 Zn2 -","- C38 H38 B2 N12 O5 Zn2 -","- C1368 H1368 B72 N432 O180 Zn72 -","36","1","","Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu","Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks","Journal of the American Chemical Society","2011","133","","11884","11887","10.1021/ja2040927","","","0.71073","MoKα","","0.0646","0.0604","","","0.1939","0.2004","","","","","","1.091","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106514","18.8569","0.0004","18.8569","0.0004","16.0871","0.0007","90","","90","","90","","5720.3","0.3","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H40 B2 N12 O4 Zn2 -","- C38 H40 B2 N12 O4 Zn2 -","- C152 H160 B8 N48 O16 Zn8 -","4","0.5","","Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu","Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks","Journal of the American Chemical Society","2011","133","","11884","11887","10.1021/ja2040927","","","0.71073","MoKα","","0.106","0.0557","","","0.1499","0.1605","","","","","","0.859","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106515","8.8623","0.0006","8.8693","0.0005","21.6431","0.0013","90.066","0.003","89.973","0.003","119.982","0.003","1473.55","0.16","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Na9 O36 P9 Ti6 -","- Na8.8552 O36 P9 Ti6 -","- Na17.7104 O72 P18 Ti12 -","2","1","","Houria Kabbour; Daniel Coillot; Marie Colmont; Christian Masquelier; Olivier Mentré","α-Na3M2(PO4)3 (M = Ti, Fe): Absolute Cationic Ordering in NASICON-Type Phases","Journal of the American Chemical Society","2011","133","","11900","11903","10.1021/ja204321y","","","0.71073","MoKα","","0.0599","0.0334","","","0.0314","0.0497","","","","1.55","1.55","1.92","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106516","12.5388","0.0004","12.5388","0.0004","78.145","0.005","90","","90","","90","","12286.1","1","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C57 H58 B F24 Ir O2 P2 -","- C57 H58 B F24 Ir O2 P2 -","- C456 H464 B8 F192 Ir8 O16 P16 -","8","1","","Michael Findlater; Alison Cartwright-Sykes; Peter S. White; Cynthia K. Schauer; Maurice Brookhart","Role of Coordination Geometry in Dictating the Barrier to Hydride Migration in d6 Square-Pyramidal Iridium and Rhodium Pincer Complexes","Journal of the American Chemical Society","2011","133","","12274","12284","10.1021/ja204851x","","","1.54178","CuKα","","0.0352","0.0351","","","0.0803","0.0804","","","","","","1.216","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106517","9.2234","0.0002","17.7084","0.0005","9.9464","0.0003","90","","100.953","0.002","90","","1594.97","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H31 Cl2 P -","- C41 H31 Cl2 P -","- C82 H62 Cl4 P2 -","2","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.033","0.032","","","0.0836","0.0844","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106518","8.3572","0.0003","12.4724","0.0004","26.0754","0.0008","90","","90","","90","","2717.95","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C124 H144 N8 O16 -","4","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0256","0.0254","","","0.0653","0.0657","","","","","","1.037","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106519","12.0044","0.0001","15.5921","0.0002","16.7986","0.0002","65.209","0.001","76.525","0.001","89.311","0.001","2762.81","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H37.25 N O8.12 -","- C28 H37.25 N O8.125 -","- C112 H149 N4 O32.5 -","4","4","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0307","0.0304","","","0.0807","0.081","","","","","","1.039","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106520","13.1781","0.0003","9.1516","0.0002","15.7055","0.0003","90","","99.371","0.001","90","","1868.82","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cl O5 P -","- C17 H22 Cl O5 P -","- C68 H88 Cl4 O20 P4 -","4","2","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.027","0.0266","","","0.0708","0.0712","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106521","9.5202","0.0003","10.1753","0.0003","16.8674","0.0005","90","","94.524","0.002","90","","1628.87","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H51 N O7 -","- C34 H51 N O7 -","- C68 H102 N2 O14 -","2","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0555","0.0511","","","0.1396","0.1448","","","","","","1.029","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106522","11.195","0.003","16.747","0.004","16.954","0.003","66.344","0.014","83.747","0.019","84.97","0.02","2890.8","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H61 Cl2 N6 O9 P -","- C63 H57 Cl2 N6 O9 P -","- C126 H114 Cl4 N12 O18 P2 -","2","1","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.2643","0.1684","","","0.4024","0.4691","","","","","","1.231","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106523","11.2904","0.0009","17.0438","0.0014","19.3603","0.0016","99.939","0.001","99.152","0.001","108.496","0.001","3387.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H63 Cl N6 O9 P S -","- C62.5 H57 Cl N6 O9 P S -","- C125 H114 Cl2 N12 O18 P2 S2 -","2","1","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.2339","0.124","","","0.3312","0.3892","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106524","11.2835","0.0011","17.0534","0.0016","19.5006","0.0019","100.417","0.002","99.293","0.002","108.483","0.002","3402.5","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H60 Cl N6 O8 P Se -","- C62.5 H57 Cl N6 O8 P Se -","- C125 H114 Cl2 N12 O16 P2 Se2 -","2","1","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.3005","0.1456","","","0.3702","0.4299","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106525","10.159","0.002","12.609","0.005","13.2847","0.0017","75.17","0.04","65.18","0.05","79.37","0.05","1487.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl6 N6 O6 P2 -","- C60 H56 Cl6 N6 O6 P2 -","- C60 H56 Cl6 N6 O6 P2 -","1","0.5","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","1.54178","CuKα","","0.2632","0.2367","","","0.5928","0.6115","","","","","","2.464","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106526","13.3677","0.0017","11.6746","0.0015","17.642","0.002","90","","100.17","","90","","2710","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H59 N5 O8 P2 -","- C59 H59 N5 O8 P2 -","- C118 H118 N10 O16 P4 -","2","0.5","","Rehan Ahmed; Andrea Altieri; Daniel M. D'Souza; David A. Leigh; Kathleen M. Mullen; Marcus Papmeyer; Alexandra M. Z. Slawin; Jenny K. Y. Wong; J. Derek Woollins","Phosphorus-Based Functional Groups as Hydrogen Bonding Templates for Rotaxane Formation","Journal of the American Chemical Society","2011","133","","12304","12310","10.1021/ja2049786","","","0.71073","MoKα","","0.2006","0.078","","","0.1529","0.2068","","","","","","1.005","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106527","9.697","0.0005","29.0923","0.0013","13.9203","0.0007","90","","103.605","0.001","90","","3816.8","0.3","186","2","186","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Cl2 Dy2 N7 O9 -","- C33 H37 Cl2 Dy2 N7 O9 -","- C132 H148 Cl8 Dy8 N28 O36 -","4","1","","Yun-Nan Guo; Gong-Feng Xu; Wolfgang Wernsdorfer; Liviu Ungur; Yang Guo; Jinkui Tang; Hong-Jie Zhang; Liviu F. Chibotaru; Annie K. Powell","Strong Axiality and Ising Exchange Interaction Suppress Zero-Field Tunneling of Magnetization of an Asymmetric Dy2 Single-Molecule Magnet","Journal of the American Chemical Society","2011","133","","11948","11951","10.1021/ja205035g","","","0.71073","MoKα","","0.0618","0.0352","","","0.0624","0.0705","","","","","","1.001","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106528","12.306","0.002","15.287","0.002","7.0855","0.0011","90","","98.782","0.006","90","","1317.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","César R. Solorio-Alvarado; Yahui Wang; Antonio M. Echavarren","Cyclopropanation with Gold(I) Carbenes by Retro-Buchner Reaction from Cycloheptatrienes","Journal of the American Chemical Society","2011","133","","11952","11955","10.1021/ja205046h","","","0.71073","MoKα","","0.0648","0.0471","","","0.1091","0.1189","","","","","","1.038","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106529","8.8529","0.0009","6.2316","0.0006","16.8666","0.0014","90","","102.238","0.007","90","","909.35","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C44 H48 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0426","0.0383","","","0.097","0.0996","","","","","","1.111","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106530","8.4696","0.0001","8.2702","0.0002","15.7541","0.0003","90","","103.045","0.001","90","","1075.02","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O3 -","- C25 H28 O3 -","- C50 H56 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0343","0.032","","","0.0834","0.0855","","","","","","1.017","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106531","8.8153","0.0007","9.6717","0.0008","10.6323","0.0009","90","","99.8","0.005","90","","893.27","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","","Yajing Lian; Huw M. L. Davies","Combined C-H Functionalization/Cope Rearrangement with Vinyl Ethers as a Surrogate for the Vinylogous Mukaiyama Aldol Reaction","Journal of the American Chemical Society","2011","133","","11940","11943","10.1021/ja2051155","","","1.54178","CuKα","","0.0307","0.03","","","0.0735","0.0742","","","","","","1.039","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106532","11.463","0.004","22.062","0.008","15.984","0.006","90","","107.21","0.007","90","","3861","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H49 N3 O2 -","- C47 H49 N3 O2 -","- C188 H196 N12 O8 -","4","2","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","1.54178","CuKα","","0.1409","0.1077","","","0.2891","0.3276","","","","","","1.129","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106533","48.61","0.02","13.472","0.006","15.627","0.007","90","","92.939","0.01","90","","10220","8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 Cl2 N4 Ni O4 -","- C54 H66 Cl2 N4 Ni O4 -","- C432 H528 Cl16 N32 Ni8 O32 -","8","1","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","0.71073","MoKα","","0.3606","0.3104","","","0.6109","0.628","","","","","","1.889","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106534","15.632","0.006","19.012","0.008","20.288","0.009","105.149","0.007","102.006","0.004","96.112","0.006","5609","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C128.5 H148.5 Cl4.5 N3 O4 -","- C128.5 H148.5 Cl4.5 N3 O4 -","- C257 H297 Cl9 N6 O8 -","2","1","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","0.71073","MoKα","","0.2461","0.2014","","","0.502","0.5281","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106535","14.886","0.003","25.124","0.006","29.79","0.007","91.765","0.01","100.119","0.009","90.483","0.013","10962","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C217 H255 Cl30 N3 O6 -","- C207 H245 N3 O6 -","- C414 H490 N6 O12 -","2","1","","Hei Man Cheng; David A. Leigh; Francesca Maffei; Paul R. McGonigal; Alexandra M. Z. Slawin; Jhenyi Wu","En Route to a Molecular Sheaf: Active Metal Template Synthesis of a [3]Rotaxane with Two Axles Threaded through One Ring","Journal of the American Chemical Society","2011","133","","12298","12303","10.1021/ja205167e","","","1.54178","CuKα","","0.2215","0.19","","","0.4756","0.5084","","","","","","1.731","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106536","8.439","0.002","10.943","0.002","14.35","0.003","95.67","0.02","103.27","0.03","93.68","0.02","1278.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H41 N3 Si3 -","- C21 H41 N3 Si3 -","- C42 H82 N6 Si6 -","2","1","","Sakya S. Sen; Jakob Hey; Regine Herbst-Irmer; Herbert W. Roesky; Dietmar Stalke","Striking Stability of a Substituted Silicon(II) Bis(trimethylsilyl)amide and the Facile Si-Me Bond Cleavage without a Transition Metal Catalyst","Journal of the American Chemical Society","2011","133","","12311","12316","10.1021/ja205369h","","","0.71073","MoKα","","0.0291","0.0277","","","0.0739","0.075","","","","","","1.028","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106537","12.866","0.002","16.639","0.002","17.09","0.003","90.72","0.02","108.43","0.03","91.82","0.02","3468.2","1.1","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 N3 P Si3 -","- C32 H56 N3 P Si3 -","- C128 H224 N12 P4 Si12 -","4","2","","Sakya S. Sen; Jakob Hey; Regine Herbst-Irmer; Herbert W. Roesky; Dietmar Stalke","Striking Stability of a Substituted Silicon(II) Bis(trimethylsilyl)amide and the Facile Si-Me Bond Cleavage without a Transition Metal Catalyst","Journal of the American Chemical Society","2011","133","","12311","12316","10.1021/ja205369h","","","0.56086","AgKα","","0.0471","0.0366","","","0.0937","0.0998","","","","","","1.026","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106538","15.5405","0.0011","22.8781","0.0016","13.0991","0.0009","90","","96.3383","0.0012","90","","4628.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 B12 Br6 Cl2 N3 -","- C40 H31 B12 Br6 Cl2 N3 -","- C160 H124 B48 Br24 Cl8 N12 -","4","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","0.71073","MoKα","","0.0392","0.028","","","0.0749","0.0798","","","","","","1.062","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106539","15.4879","0.0008","22.9139","0.0011","12.9574","0.0006","90","","97.3448","0.0008","90","","4560.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 B12 Br6 N3 -","- C41 H35 B12 Br6 N3 -","- C164 H140 B48 Br24 N12 -","4","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","0.71073","MoKα","","0.06","0.0336","","","0.0792","0.0886","","","","","","1.073","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106540","15.6543","0.0009","22.8709","0.0013","12.8313","0.0007","90","","98.0451","0.0009","90","","4548.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 B12 Br6 Cl N3 -","- C40 H32 B12 Br6 Cl N3 -","- C160 H128 B48 Br24 Cl4 N12 -","4","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","0.71073","MoKα","","0.0499","0.0296","","","0.0656","0.0717","","","","","","1.012","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106541","10.4383","0.0002","11.4249","0.0003","13.4169","0.0003","103.218","0.0014","110.665","0.0013","104.254","0.0014","1360.35","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H26 B N3 -","- C39 H26 B N3 -","- C78 H52 B2 N6 -","2","1","","Eiji Tsurumaki; Shin-ya Hayashi; Fook S. Tham; Christopher A. Reed; Atsuhiro Osuka","Planar Subporphyrin Borenium Cations","Journal of the American Chemical Society","2011","133","","11956","11959","10.1021/ja2056566","","","1.54187","CuKα","","0.0888","0.0575","","","0.1275","0.1533","","","","","","0.976","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106542","15.8497","0.0012","25.8968","0.0011","17.0594","0.0007","90","","95.87","","90","","6965.4","0.7","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H54 Ge -","- C42 H54 Ge -","- C336 H432 Ge8 -","8","1","","Owen T. Summerscales; James C. Fettinger; Philip P. Power","C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions","Journal of the American Chemical Society","2011","133","","11960","11963","10.1021/ja205816d","","","0.71073","MoKα","","0.049","0.0351","","","0.074","0.079","","","","","","1.023","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106543","18.0854","0.0015","10.1004","0.0008","33.039","0.003","90","","92.544","0.002","90","","6029.3","0.9","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C35 H42 Ge -","- C35 H42 Ge -","- C280 H336 Ge8 -","8","1","","Owen T. Summerscales; James C. Fettinger; Philip P. Power","C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions","Journal of the American Chemical Society","2011","133","","11960","11963","10.1021/ja205816d","","","1.54178","CuKα","","0.0279","0.0277","","","0.0757","0.0758","","","","","","1.062","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106544","8.446","0.003","13.046","0.004","15.923","0.005","70.057","0.004","85.699","0.005","78.622","0.004","1616.8","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.33 H23.33 Br0.67 Ni0.67 P1.33 -","- C25.3333 H23.3333 Br0.666667 Ni0.666667 P1.33333 -","- C76 H70 Br2 Ni2 P4 -","3","1.5","","Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan","Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications","Journal of the American Chemical Society","2011","133","","12600","12607","10.1021/ja202877q","","","0.71073","MoKα","","0.0639","0.0476","","","0.1158","0.1308","","","","","","1.245","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106545","21.936","0.003","19.036","0.002","24.287","0.003","90","","90","","90","","10142","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H54 Ni P4 -","- C62 H54 Ni P4 -","- C496 H432 Ni8 P32 -","8","1","","Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan","Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications","Journal of the American Chemical Society","2011","133","","12600","12607","10.1021/ja202877q","","","0.71073","MoKα","","0.1052","0.0675","","","0.1464","0.16","","","","","","1.169","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106546","10.62017","0.00015","10.62017","0.00015","9.84171","0.00014","90","","90","","120","","961.31","0.02","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin","A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology","Journal of the American Chemical Society","2011","133","","12330","12333","10.1021/ja2031568","","","1.54184","CuKα","","0.0242","0.0242","","","0.0642","0.0642","","","","","","1.071","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106547","10.6396","0.0003","10.6396","0.0003","9.8731","0.0003","90","","90","","120","","967.91","0.05","403","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin","A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology","Journal of the American Chemical Society","2011","133","","12330","12333","10.1021/ja2031568","","","1.54184","CuKα","","0.0231","0.023","","","0.0636","0.0636","","","","","","1.148","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106548","10.6123","0.0002","10.6123","0.0002","9.8289","0.0002","90","","90","","120","","958.64","0.03","243","2","243","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin","A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology","Journal of the American Chemical Society","2011","133","","12330","12333","10.1021/ja2031568","","","1.54184","CuKα","","0.0204","0.0204","","","0.0553","0.0554","","","","","","1.115","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106549","5.4168","0.0008","9.594","0.0015","23.395","0.004","90","","93.42","0.011","90","","1213.6","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl N2 O4 -","- C25 H33 Cl N2 O4 -","- C50 H66 Cl2 N4 O8 -","2","1","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.0865","0.0604","","","0.1347","0.1492","","","","","","1.009","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106550","11.8906","0.0006","5.7704","0.0003","13.5908","0.0007","90","","106.185","0.004","90","","895.55","0.08","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl N2 O2 -","- C19 H27 Cl N2 O2 -","- C38 H54 Cl2 N4 O4 -","2","1","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.0723","0.0634","","","0.1608","0.1691","","","","","","1.008","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106551","9.08","0.003","6.0442","0.0011","33.842","0.009","90","","95.46","0.02","90","","1848.9","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H28.5 N2 O2 S -","- C17 H28.5 N2 O2 S -","- C68 H114 N8 O8 S4 -","4","2","","Arjun Raghuraman; Eunhwa Ko; Lisa M. Perez; Thomas R. Ioerger; Kevin Burgess","Pyrrolinone-Pyrrolidine Oligomers as Universal Peptidomimetics","Journal of the American Chemical Society","2011","133","","12350","12353","10.1021/ja2033734","","","1.54178","CuKα","","0.1248","0.1036","","","0.2324","0.2477","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106552","47.974","0.004","9.6045","0.0009","11.7572","0.0012","90","","90","","90","","5417.3","0.9","90","2","90","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26.5 H26 Br Cl N2 O5 -","- C26.5 H26 Br Cl N2 O5 -","- C212 H208 Br8 Cl8 N16 O40 -","8","2","","Bin Tan; Gloria Hernández-Torres; Carlos F. Barbas","Highly Efficient Hydrogen-Bonding Catalysis of the Diels-Alder Reaction of 3-Vinylindoles and Methyleneindolinones Provides Carbazolespirooxindole Skeletons","Journal of the American Chemical Society","2011","133","","12354","12357","10.1021/ja203812h","","","1.54178","CuKα","","0.053","0.0515","","","0.1374","0.1384","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106553","15.3344","0.0008","11.4973","0.0006","14.4707","0.0008","90","","97.947","0.01","90","","2526.7","0.2","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 Pt S3 -","- C26 H25 N O2 Pt S3 -","- C104 H100 N4 O8 Pt4 S12 -","4","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0219","0.0192","","","0.0484","0.0497","","","","","","1.046","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106554","24.4562","0.0012","7.1073","0.0003","32.098","0.0015","90","","90","","90","","5579.2","0.4","297","2","297","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 F6 N O2 Pt S3 -","- C25.24 H19 F4.86 N O2 Pt S3 -","- C201.92 H152 F38.88 N8 O16 Pt8 S24 -","8","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0602","0.0365","","","0.0691","0.0771","","","","","","1.082","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106555","23.202","0.004","15.922","0.003","15.283","0.003","90","","107.969","0.003","90","","5370.5","1.7","306","2","306","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 F3 N O2 Pt S3 -","- C27 H24 F3 N O2 Pt S3 -","- C216 H192 F24 N8 O16 Pt8 S24 -","8","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.027","0.0224","","","0.0535","0.0552","","","","","","1.015","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106556","8.412","0.0007","9.606","0.0007","16.498","0.0013","90.585","0.01","92.948","0.01","91.306","0.01","1330.94","0.18","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 N O2 Pt S3 -","- C27 H27 N O2 Pt S3 -","- C54 H54 N2 O4 Pt2 S6 -","2","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.021","0.0189","","","0.0472","0.0484","","","","","","1.011","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106557","7.0412","0.0009","12.5626","0.0016","18.034","0.002","96.176","0.002","100.995","0.002","105.429","0.002","1488.2","0.3","305","2","305","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H19 F6 N O2 Pt S4 -","- C28 H19 F4.59 N O2 Pt S4 -","- C56 H38 F9.18 N2 O4 Pt2 S8 -","2","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0353","0.0325","","","0.0892","0.0918","","","","","","1.03","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106558","10.3089","0.0003","14.409","0.0004","10.5351","0.0003","90","","116.395","0.001","90","","1401.75","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Shengtao Ding; Ning Jiao","Direct Transformation of N,N-Dimethylformamide to -CN: Pd-Catalyzed Cyanation of Heteroarenes via C-H Functionalization","Journal of the American Chemical Society","2011","133","","12374","12377","10.1021/ja204063z","","","0.71073","MoKα","","0.0479","0.0409","","","0.1096","0.1174","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106559","17.2841","0.0017","20.945","0.002","18.8248","0.0018","90","","109.355","0.001","90","","6429.7","1.1","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ni(PPh2NPhOMe2)2(MeCN)](BF4)2","","","- C64 H70 B2 F8 N6 Ni O4 P4 -","- C64 H70 B2 F8 N6 Ni O4 P4 -","- C256 H280 B8 F32 N24 Ni4 O16 P16 -","4","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0571","0.0448","","","0.1018","0.1121","","","","","","1.076","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106560","35.14","0.02","13.213","0.008","26.165","0.015","90","","96.356","0.008","90","","12074","12","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni(PCy2NPh2)2(MeCN)](BF4)2","","","- C60 H86 B2 F8 N6 Ni P4 -","- C60 H86 B2 F8 N6 Ni P4 -","- C480 H688 B16 F64 N48 Ni8 P32 -","8","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0976","0.0602","","","0.1259","0.1471","","","","","","1.016","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106561","9.481","0.003","12.34","0.004","17.657","0.005","101.202","0.004","102.372","0.004","102.077","0.004","1910.3","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[Ni(PCy2NPh2)(ACN)2](BF4)2*ACN","[Ni(PCy2NPh2)2(ACN)2](BF4)2*ACN","","- C34 H49 B2 F8 N5 Ni P2 -","- C34 H49 B2 F8 N5 Ni P2 -","- C68 H98 B4 F16 N10 Ni2 P4 -","2","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0497","0.0372","","","0.0825","0.0904","","","","","","1.04","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106562","24.3203","0.0012","24.3203","0.0012","40.323","0.0019","90","","90","","90","","23850","2","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","[Ni(PCy2NPh2)(PPh2NPh2)(MeCN)](BF4)2","","","- C59.5 H74.75 B2 F8 N5 Ni O0.38 P4 -","- C59.58 H74.85 B2.005 F8.035 N5 Ni O0.38 P4 -","- C953.28 H1197.6 B32.08 F128.56 N80 Ni16 O6.08 P64 -","16","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0855","0.064","","","0.1763","0.1949","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106563","10.01","0.01","10.985","0.011","26.28","0.03","90","","90.87","0.012","90","","2889","5","253","2","253","2","","","","","","","","6","P 1 n 1","P -2yac","7","[Ni(PPh2NPhOMe2)2]","","","- C64 H72 N4 Ni O5 P4 -","- C64 H72 N4 Ni O5 P4 -","- C128 H144 N8 Ni2 O10 P8 -","2","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0326","0.0318","","","0.0846","0.0855","","","","","","1.061","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106564","24.0216","0.0011","17.6157","0.0008","14.6064","0.0007","90","","90","","90","","6180.8","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Ni(PPh2NBn2)2(OAc)]BF4","","","- C66 H77 B F4 N4 Ni O3 P4 -","- C66 H77 B F4 N4 Ni O3 P4 -","- C264 H308 B4 F16 N16 Ni4 O12 P16 -","4","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0647","0.0429","","","0.0889","0.0974","","","","","","1.022","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106565","13.0125","0.0004","13.2606","0.0005","14.7131","0.0005","112.618","0.002","112.805","0.002","91.713","0.002","2112.03","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TBAHCO2 HCO2H","","","- C18 H39 N O4 -","- C18 H39 N O4 -","- C72 H156 N4 O16 -","4","2","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0635","0.0508","","","0.1293","0.1363","","","","","","1.101","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106566","15.913","0.003","12.505","0.003","11.285","0.002","90","","90","","90","","2245.6","0.8","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H34 B F4 N O7 -","- C19 H34 B F4 N O7 -","- C76 H136 B4 F16 N4 O28 -","4","1","","Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6","Journal of the American Chemical Society","2011","133","","12780","12786","10.1021/ja204540g","","","0.71073","MoKα","","0.0343","0.0324","","","0.0788","0.0824","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106567","15.989","0.003","11.336","0.002","12.676","0.003","90","","90","","90","","2297.5","0.8","243","2","243","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H34 B F4 N O7 -","- C19 H34 B F4 N O7 -","- C76 H136 B4 F16 N4 O28 -","4","0.5","","Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6","Journal of the American Chemical Society","2011","133","","12780","12786","10.1021/ja204540g","","","0.71073","MoKα","","0.054","0.0485","","","0.1224","0.1279","","","","","","1.112","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106568","17.0293","0.0003","17.0293","","17.0293","","90","","90","","90","","4938.45","0.09","","","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C96 I5.04 N48 Zn12 -","- C96 I5.04 N48 Zn12 -","- C96 I5.04 N48 Zn12 -","1","0.0208333","","Dorina F. Sava; Mark A. Rodriguez; Karena W. Chapman; Peter J. Chupas; Jeffery A. Greathouse; Paul S. Crozier; Tina M. Nenoff","Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8","Journal of the American Chemical Society","2011","133","","12398","12401","10.1021/ja204757x","powder diffraction","x-ray","0.413914","synchrotron","","","","","","","","0.12955","","2.14","","","","","","","has coordinates,has Fobs","178811","2020-10-21","18:00:00",""
"4106569","16.9331","0.001","16.9331","","16.9331","","90","","90","","90","","4855.2","0.3","","","100","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C48 I7.56 N24 Zn6 -","- C48 I7.56 N24 Zn6 -","- C96 I15.12 N48 Zn12 -","2","0.0416667","","Dorina F. Sava; Mark A. Rodriguez; Karena W. Chapman; Peter J. Chupas; Jeffery A. Greathouse; Paul S. Crozier; Tina M. Nenoff","Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8","Journal of the American Chemical Society","2011","133","","12398","12401","10.1021/ja204757x","powder diffraction","x-ray","0.413914","","","","","","","","","0.14012","","2.07","","","","","","","has coordinates,has Fobs","178811","2020-10-21","18:00:00",""
"4106570","30.927","0.011","30.927","0.011","86.9","0.06","90","","90","","120","","71982","6","180","2","180","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C178 H148 Ce4 N30 O31 -","- C177.91 H130.86 Ce4 N29.98 O30.935 -","- C2134.92 H1570.32 Ce48 N359.76 O371.22 -","12","0.333333","","Jian Wang; Cheng He; Pengyan Wu; Jing Wang; Chunying Duan","An Amide-Containing Metal-Organic Tetrahedron Responding to a Spin-Trapping Reaction in a Fluorescent Enhancement Manner for Biological Imaging of NO in Living Cells","Journal of the American Chemical Society","2011","133","","12402","12405","10.1021/ja2048489","","","0.71073","MoKα","","0.1082","0.0692","","","0.1882","0.2031","","","","","","0.993","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106571","36.2592","0.0014","6.5906","0.0003","11.6976","0.0005","90","","90","","90","","2795.4","0.2","143","1","143","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H26 Cl N -","- C15 H26 Cl N -","- C120 H208 Cl8 N8 -","8","2","","Jun Wang; Chunlong Ma; Giacomo Fiorin; Vincenzo Carnevale; Tuo Wang; Fanghao Hu; Robert A. Lamb; Lawrence H. Pinto; Mei Hong; Michael L. Klein; William F. DeGrado","Molecular Dynamics Simulation Directed Rational Design of Inhibitors Targeting Drug-Resistant Mutants of Influenza A Virus M2","Journal of the American Chemical Society","2011","133","","12834","12841","10.1021/ja204969m","","","0.71073","MoKα","","0.0279","0.0262","","","0.0656","0.0665","","","","","","1.067","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106572","12.215","0.006","18.138","0.009","17.386","0.008","90","","108.382","0.007","90","","3655","3","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C87 H36 N2 -","- C87 H36 N2 -","- C174 H72 N4 -","2","0.5","","Huaping Li; Chad Risko; Jung Hwa Seo; Casey Campbell; Guang Wu; Jean-Luc Brédas; Guillermo C. Bazan","Fullerene-Carbene Lewis Acid-Base Adducts","Journal of the American Chemical Society","2011","133","","12410","12413","10.1021/ja204974m","","","0.71073","MoKα","","0.4684","0.4","","","0.7571","0.7908","","","","","","3.469","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4106573","10.7392","0.0017","26.82","0.004","20.359","0.003","90","","99.172","0.002","90","","5788.9","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C98 H37 Cl3 N2 -","- C98 H37 Cl3 N2 -","- C392 H148 Cl12 N8 -","4","1","","Huaping Li; Chad Risko; Jung Hwa Seo; Casey Campbell; Guang Wu; Jean-Luc Brédas; Guillermo C. Bazan","Fullerene-Carbene Lewis Acid-Base Adducts","Journal of the American Chemical Society","2011","133","","12410","12413","10.1021/ja204974m","","","0.71073","MoKα","","0.3786","0.2446","","","0.5107","0.5592","","","","","","2.671","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106574","9.4077","0.0008","17.7033","0.0014","21.4739","0.0017","90","","94.762","0.002","90","","3564.1","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","L(tBu)Co(THF)","","","- C39 H61 Co N2 O -","- C39 H61 Co N2 O -","- C156 H244 Co4 N8 O4 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.1263","0.06","","","0.1081","0.1308","","","","","","1.004","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106575","12.0637","0.0014","14.4861","0.0016","18.32","0.002","90","","104.359","0.002","90","","3101.5","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","L(tBu)Co","","","- C35 H53 Co N2 -","- C35 H53 Co N2 -","- C140 H212 Co4 N8 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0644","0.0425","","","0.0989","0.1076","","","","","","1.036","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106576","21.782","0.002","12.8292","0.0011","17.205","0.0015","90","","96.28","0.002","90","","4779","0.7","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","L(tBu)Co(PPh3)","","","- C55 H73 Co N2 O0.5 P -","- C55 H73 Co N2 O0.5 P -","- C220 H292 Co4 N8 O2 P4 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.1032","0.0622","","","0.1264","0.1462","","","","","","1.027","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106577","9.4586","0.0005","12.3354","0.0007","15.987","0.0009","97.994","0.001","97.008","0.001","111.209","0.001","1691.79","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","L(tBu)Co(CO)2","holtd31","","- C37 H53 Co N2 O2 -","- C37 H53 Co N2 O2 -","- C74 H106 Co2 N4 O4 -","2","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0536","0.0394","","","0.0985","0.1061","","","","","","1.036","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106578","17.236","0.003","12.3908","0.0019","17.302","0.003","90","","90","","90","","3695.2","1.1","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","L(tBu)CoPh","","","- C41 H58 Co N2 -","- C41 H58 Co N2 -","- C164 H232 Co4 N8 -","4","1","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0802","0.047","","","0.0977","0.1112","","","","","","1.021","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106579","24.218","0.002","12.1814","0.0012","26.222","0.003","90","","111.373","0.002","90","","7203.7","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[L(tBu)CoF]2","","","- C70 H106 Co2 F2 N4 -","- C70 H106 Co2 F2 N4 -","- C280 H424 Co8 F8 N16 -","4","0.5","","Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland","A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds","Journal of the American Chemical Society","2011","133","","12418","12421","10.1021/ja2052914","","","0.71073","MoKα","","0.0973","0.0541","","","0.1334","0.1494","","","","","","1.024","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106580","6.3098","0.0006","8.9274","0.0009","14.807","0.0015","84.292","0.002","87.09","0.002","78.703","0.002","813.45","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","frojb01","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","","Joshua L. Brooks; Patrick A. Caruana; Alison J. Frontier","Conjugate Addition-Initiated Nazarov Cyclization","Journal of the American Chemical Society","2011","133","","12454","12457","10.1021/ja205440x","","","0.71073","MoKα","","0.0684","0.0504","","","0.1363","0.1513","","","","","","1.066","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106581","16.29","0.003","8.385","0.0013","11.2023","0.0018","90","","92.568","0.003","90","","1528.6","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojb04","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Joshua L. Brooks; Patrick A. Caruana; Alison J. Frontier","Conjugate Addition-Initiated Nazarov Cyclization","Journal of the American Chemical Society","2011","133","","12454","12457","10.1021/ja205440x","","","0.71073","MoKα","","0.0644","0.0416","","","0.0965","0.108","","","","","","1.022","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106582","20.782","0.002","6.3342","0.0008","24.168","0.003","90","","93.654","0.002","90","","3174.9","0.6","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","frojb05","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C144 H184 N8 O16 -","8","1","","Joshua L. Brooks; Patrick A. Caruana; Alison J. Frontier","Conjugate Addition-Initiated Nazarov Cyclization","Journal of the American Chemical Society","2011","133","","12454","12457","10.1021/ja205440x","","","0.71073","MoKα","","0.0645","0.0455","","","0.1157","0.1267","","","","","","1.034","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106583","27.58","0.009","27.638","0.009","32.095","0.011","100.987","0.004","92.098","0.004","107.123","0.004","22839","13","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C260 H316 N78.89 O120.31 Pd12 Ru4 -","- C260 H316 N78.887 O120.297 Pd12 Ru4 -","- C520 H632 N157.774 O240.594 Pd24 Ru8 -","2","1","","Shinnosuke Horiuchi; Takashi Murase; Makoto Fujita","Noncovalent Trapping and Stabilization of Dinuclear Ruthenium Complexes within a Coordination Cage","Journal of the American Chemical Society","2011","133","","12445","12447","10.1021/ja205450a","","","0.71073","MoKα","","0.2206","0.1153","","","0.317","0.3926","","","","","","1.176","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106584","5.6584","0.0004","11.0386","0.0008","5.7476","0.0004","90","","90","","90","","359","0.04","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Bi I O4 -","- Bi I O4 -","- Bi4 I4 O16 -","4","1","","Sau Doan Nguyen; Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani","BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response","Journal of the American Chemical Society","2011","133","","12422","12425","10.1021/ja205456b","","","0.71073","MoKα","","0.0193","0.019","","","0.0483","0.0484","","","","","","1.11","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106585","13.541","0.003","13.757","0.004","14.826","0.004","73.397","0.014","82.728","0.013","76.658","0.014","2569.8","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","michael037b","michael037b","","- C59 H68 B Mn N4 O3 S -","- C59 H68 B Mn N4 O3 S -","- C118 H136 B2 Mn2 N8 O6 S2 -","2","1","","Michael K. Coggins; Julie A. Kovacs","Structural and Spectroscopic Characterization of Metastable Thiolate-Ligated Manganese(III)-Alkylperoxo Species","Journal of the American Chemical Society","2011","133","","12470","12473","10.1021/ja205520u","","","0.71073","MoKα","","0.3733","0.0964","","","0.1155","0.1914","","","","","","0.944","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106586","15.098","0.005","20.289","0.007","20.645","0.007","69.84","0.02","83.47","0.02","78.29","0.02","5806","4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","michael039","michael039","","- C66 H73 B Mn N5 O3 S -","- C66 H73 B Mn N5 O3 S -","- C264 H292 B4 Mn4 N20 O12 S4 -","4","2","","Michael K. Coggins; Julie A. Kovacs","Structural and Spectroscopic Characterization of Metastable Thiolate-Ligated Manganese(III)-Alkylperoxo Species","Journal of the American Chemical Society","2011","133","","12470","12473","10.1021/ja205520u","","","0.71073","MoKα","","0.4381","0.162","","","0.3001","0.4441","","","","","","0.976","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106587","13.5158","0.0003","17.0228","0.0003","26.8741","0.0005","90","","95.909","0.001","90","","6150.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 B12 Cl16 Fe2 Si2 -","- C42 H50 B12 Cl16 Fe2 Si2 -","- C168 H200 B48 Cl64 Fe8 Si8 -","4","1","","Kristine Müther; Roland Fröhlich; Christian Mück-Lichtenfeld; Stefan Grimme; Martin Oestreich","A Unique Transition Metal-Stabilized Silicon Cation","Journal of the American Chemical Society","2011","133","","12442","12444","10.1021/ja205538t","","","0.71073","MoKα","","0.1344","0.1067","","","0.2951","0.3307","","","","","","1.046","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106588","9.0205","0.0006","19.6632","0.0014","16.1365","0.0012","90","","92.825","0.004","90","","2858.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 B F10 P -","- C29 H36 B F10 P -","- C116 H144 B4 F40 P4 -","4","1","","Xiaoxi Zhao; Douglas W. Stephan","Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2011","133","","12448","12450","10.1021/ja205598k","","","0.71073","MoKα","","0.124","0.0589","","","0.1266","0.1521","","","","","","1.011","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106589","11.4645","0.0004","14.2814","0.0005","17.6884","0.0006","90","","105.199","0.002","90","","2794.8","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 B F10 P -","- C28 H34 B F10 P -","- C112 H136 B4 F40 P4 -","4","1","","Xiaoxi Zhao; Douglas W. Stephan","Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2011","133","","12448","12450","10.1021/ja205598k","","","0.71073","MoKα","","0.0996","0.0632","","","0.1632","0.1845","","","","","","1.047","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106590","13.0483","0.0016","15.951","0.002","17.5001","0.0019","90","","110.878","0.005","90","","3403.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B F10 P -","- C36 H44 B F10 P -","- C144 H176 B4 F40 P4 -","4","1","","Xiaoxi Zhao; Douglas W. Stephan","Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2011","133","","12448","12450","10.1021/ja205598k","","","0.71073","MoKα","","0.1193","0.0509","","","0.095","0.1167","","","","","","0.993","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106591","6.0055","0.0002","27.8264","0.0008","8.3886","0.0002","90","","99.216","0.002","90","","1383.74","0.07","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl2 N2 O4 -","- C29 H32 Cl2 N2 O4 -","- C58 H64 Cl4 N4 O8 -","2","1","","Xiaodan Zhao; Daniel A. DiRocco; Tomislav Rovis","N-Heterocyclic Carbene and Brønsted Acid Cooperative Catalysis: Asymmetric Synthesis of trans-γ-Lactams","Journal of the American Chemical Society","2011","133","","12466","12469","10.1021/ja205714g","","","0.71073","MoKα","","0.0774","0.0589","","","0.1588","0.1787","","","","","","1.057","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106592","33.068","0.003","17.4569","0.0017","11.9688","0.0011","90","","93.376","0.001","90","","6897.2","1.1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl} -1,3-bis(3,5-dimethylphenyl)-1,3-diaza-2,4-disilacyclobutane-2,4-diyl","","- C54 H116 N2 O Si12 -","- C54 H116 N2 O Si12 -","- C216 H464 N8 O4 Si48 -","4","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","Access to a Stable Si2N2 Four-Membered Ring with Non-Kekulé Singlet Biradical Character from a Disilyne","Journal of the American Chemical Society","2011","133","","12478","12481","10.1021/ja2059846","","","0.71073","MoKα","","0.0444","0.0394","","","0.1139","0.1193","","","","","","1.032","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106593","9.949","0.0005","13.7022","0.0007","14.5004","0.0007","101.017","0.001","106.539","0.001","109.213","0.001","1698.56","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","trans-2,4-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl}-2,4-dichloro- 1,3-bis(3,5-dimethylphenyl)-1,3-diaza-2,4-disilacyclobutane","","- C50 H108 Cl2 N2 Si12 -","- C50 H108 Cl2 N2 Si12 -","- C50 H108 Cl2 N2 Si12 -","1","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","Access to a Stable Si2N2 Four-Membered Ring with Non-Kekulé Singlet Biradical Character from a Disilyne","Journal of the American Chemical Society","2011","133","","12478","12481","10.1021/ja2059846","","","0.71073","MoKα","","0.0402","0.0348","","","0.1006","0.1055","","","","","","1.031","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106594","7.9149","0.0002","13.8805","0.0003","18.1339","0.0004","89.619","0.001","82.083","0.001","88.743","0.001","1972.76","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 F12 N7 O5 -","- C41 H35 F12 N7 O5 -","- C82 H70 F24 N14 O10 -","2","1","","Jason R. Cox; Peter Müller; Timothy M. Swager","Interrupted Energy Transfer: Highly Selective Detection of Cyclic Ketones in the Vapor Phase","Journal of the American Chemical Society","2011","133","","12910","12913","10.1021/ja202277h","","","1.54178","CuKα","","0.0441","0.0397","","","0.1035","0.1078","","","","","","1.027","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106595","17.736","0.005","16.476","0.004","23.481","0.006","90","","112.082","0.004","90","","6358","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H67 B F24 N Ni P2 -","- C60 H67 B F24 N Ni P2 -","- C240 H268 B4 F96 N4 Ni4 P8 -","4","1","","Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse","Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes","Journal of the American Chemical Society","2011","133","","13055","13063","10.1021/ja2024993","","","0.71073","MoKα","","0.0837","0.0717","","","0.1453","0.15","","","","","","1.236","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106596","14.2589","0.0012","13.0889","0.0011","39.706","0.003","90","","90.907","0.002","90","","7409.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H77 B F24 N Ni P2 -","- C74 H77 B F24 N Ni P2 -","- C296 H308 B4 F96 N4 Ni4 P8 -","4","1","","Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse","Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes","Journal of the American Chemical Society","2011","133","","13055","13063","10.1021/ja2024993","","","0.71073","MoKα","","0.1241","0.0714","","","0.1251","0.1433","","","","","","0.972","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106597","16.616","0.0019","19.441","0.002","20.68","0.002","95.168","0.002","100.073","0.002","103.594","0.002","6332.7","1.2","373","2","373","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H68 B F24 N Ni P2 -","- C60 H68 B F24 N Ni P2 -","- C240 H272 B4 F96 N4 Ni4 P8 -","4","2","","Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse","Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes","Journal of the American Chemical Society","2011","133","","13055","13063","10.1021/ja2024993","","","0.71073","MoKα","","0.1379","0.0981","","","0.2048","0.2238","","","","","","1.119","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106598","17.112","0.003","23.856","0.005","27.445","0.006","90","","90","","90","","11204","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Gross-33 (Jenny)","","","- C47.5 H15 Al Cl F15 I4 N6 -","- C49.5 H20 Al F15 I4 N6 -","- C396 H160 Al8 F120 I32 N48 -","8","1","","Jenya Vestfrid; Mark Botoshansky; Joshua H. Palmer; Alec C. Durrell; Harry B. Gray; Zeev Gross","Iodinated Aluminum(III) Corroles with Long-Lived Triplet Excited States","Journal of the American Chemical Society","2011","133","","12899","12901","10.1021/ja202692b","","","0.71073","MoKα","","0.1166","0.0612","","","0.1749","0.2003","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106599","15.553","0.0008","10.2067","0.0006","20.833","0.002","90","","103.417","0.007","90","","3216.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H43 N8 O2 -","- C34.5 H42 N8 O2 -","- C138 H168 N32 O8 -","4","1","","Frank W. Lewis; Laurence M. Harwood; Michael J. Hudson; Michael G. B. Drew; Jean F. Desreux; Geoffrey Vidick; Nouri Bouslimani; Giuseppe Modolo; Andreas Wilden; Michal Sypula; Trong-Hung Vu; Jean-Pierre Simonin","Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand","Journal of the American Chemical Society","2011","133","","13093","13102","10.1021/ja203378m","","","0.71073","MoKα","","0.1276","0.0568","","","0.1203","0.1339","","","","","","0.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106600","13.5768","0.0008","15.342","0.001","20.5094","0.0013","106.114","0.006","100.566","0.005","98.556","0.005","3943.4","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H81 Eu2 N23 O19 -","- C70 H79 Eu2 N23 O19 -","- C140 H158 Eu4 N46 O38 -","2","1","","Frank W. Lewis; Laurence M. Harwood; Michael J. Hudson; Michael G. B. Drew; Jean F. Desreux; Geoffrey Vidick; Nouri Bouslimani; Giuseppe Modolo; Andreas Wilden; Michal Sypula; Trong-Hung Vu; Jean-Pierre Simonin","Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand","Journal of the American Chemical Society","2011","133","","13093","13102","10.1021/ja203378m","","","0.71073","MoKα","","0.1399","0.0595","","","0.1088","0.1225","","","","","","0.83","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106601","26.6125","0.0009","12.1901","0.0004","21.7234","0.0007","90","","105.191","0.002","90","","6801","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ru2(D(3,5-Cl2)PhF)3NH(C13H6N2Cl4)(Hexane)","","","- C58 H42 Cl16 N9 Ru2 -","- C58 H42 Cl16 N9 Ru2 -","- C232 H168 Cl64 N36 Ru8 -","4","0.5","","Amanda Kae Musch Long; George H. Timmer; József S. Pap; Jamie Lynn Snyder; Renyuan Pony Yu; John F. Berry","Aryl C-H Amination by Diruthenium Nitrides in the Solid State and in Solution at Room Temperature: Experimental and Computational Study of the Reaction Mechanism","Journal of the American Chemical Society","2011","133","","13138","13150","10.1021/ja203993p","","","0.71073","MoKα","","0.0515","0.0455","","","0.1277","0.1331","","","","","","1.079","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106602","17.0829","0.0004","40.0431","0.0007","13.3183","0.0003","90","","90","","90","","9110.4","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H12 N6 O8 Ru Zn -","- C26 H12 N6 O8 Ru Zn -","- C208 H96 N48 O64 Ru8 Zn8 -","8","1","","Caleb A. Kent; Demin Liu; Liqing Ma; John M. Papanikolas; Thomas J. Meyer; Wenbin Lin","Light Harvesting in Microscale Metal-Organic Frameworks by Energy Migration and Interfacial Electron Transfer Quenching","Journal of the American Chemical Society","2011","133","","12940","12943","10.1021/ja204214t","","","1.54178","CuKα","","0.0838","0.0509","","","0.1232","0.1395","","","","","","0.722","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106603","16.105","0.0012","4.7876","0.0004","9.2686","0.0007","90","","90.024","0.004","90","","714.65","0.1","123","1","123","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C6 H8 O4 Zn -","- C6 H8 O4 Zn -","- C24 H32 O16 Zn4 -","4","1","","Stephan Klaus; Maximilian W. Lehenmeier; Eberhardt Herdtweck; Peter Deglmann; Anna K. Ott; Bernhard Rieger","Mechanistic Insights into Heterogeneous Zinc Dicarboxylates and Theoretical Considerations for CO2-Epoxide Copolymerization","Journal of the American Chemical Society","2011","133","","13151","13161","10.1021/ja204481w","","","0.71073","MoKα","","0.0171","0.017","","","0.0436","0.0437","","","","","","1.204","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106604","13.8911","0.00069","15.95423","0.00097","6.60176","0.00022","90","","91.6993","0.0041","90","","1462.45","0.12","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MIL53(Al).BDTA","","","- C14 H9 Al N O5 S2 -","- C14 H9 Al N O5 S2 -","- C56 H36 Al4 N4 O20 S8 -","4","1","","Storm V. Potts; Leonard J. Barbour; Delia A. Haynes; Jeremy M. Rawson; Gareth O. Lloyd","Inclusion of Thiazyl Radicals in Porous Crystalline Materials","Journal of the American Chemical Society","2011","133","","12948","12951","10.1021/ja204548d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.05234","4.591","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106605","14.9544","0.002","15.0886","0.0018","6.64392","0.00039","90","","90.8914","0.0059","90","","1499","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MIL53(Al).MBDTA","","","- C15 H11 Al N O5 S2 -","- C15 H11 Al N O5 S2 -","- C60 H44 Al4 N4 O20 S8 -","4","1","","Storm V. Potts; Leonard J. Barbour; Delia A. Haynes; Jeremy M. Rawson; Gareth O. Lloyd","Inclusion of Thiazyl Radicals in Porous Crystalline Materials","Journal of the American Chemical Society","2011","133","","12948","12951","10.1021/ja204548d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.1007","5.164","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106606","12.8319","0.0016","10.1506","0.0013","23.295","0.003","90","","101.167","0.002","90","","2976.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Cl3 N4 -","- C34 H27 Cl2.991 N4 -","- C136 H108 Cl11.964 N16 -","4","1","","Rajasekhar Reddy Naredla; Chong Zheng; Sten O. Nilsson Lill; Douglas A. Klumpp","Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles","Journal of the American Chemical Society","2011","133","","13169","13175","10.1021/ja2046364","","","0.71073","MoKα","","0.1087","0.0994","","","0.1527","0.1562","","","","","","1.406","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106607","9.9836","0.001","23.795","0.002","17.0104","0.0016","90","","92.051","0.002","90","","4038.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N4 O0.5 -","- C27 H20 N4 O0.5 -","- C216 H160 N32 O4 -","8","2","","Rajasekhar Reddy Naredla; Chong Zheng; Sten O. Nilsson Lill; Douglas A. Klumpp","Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles","Journal of the American Chemical Society","2011","133","","13169","13175","10.1021/ja2046364","","","0.71073","MoKα","","0.09","0.077","","","0.2311","0.2482","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106608","14.9326","0.0002","16.492","0.0002","22.6389","0.0003","90","","99.2182","0.0005","90","","5503.24","0.12","250","2","250","2","","","","","The sample was placed directly into the cool stream at 250 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0849","0.0519","","","0.1275","0.1452","","","","","","1.024","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106609","14.8781","0.0001","16.4397","0.0002","22.5117","0.0002","90","","99.3793","0.0005","90","","5432.56","0.09","200","2","200","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (294.1\% @ 120 s/\%). The sample was cooled at 50 K/h to 200 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0676","0.0453","","","0.1093","0.1216","","","","","","1.018","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106610","14.8333","0.0001","16.3871","0.0001","22.3871","0.0002","90","","99.5315","0.0004","90","","5366.61","0.07","150","2","150","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (294.1\% @ 120 s/\%). The sample was cooled at 50 K/h to 200 K. Data was collected at 200 K (294.1\% @ 120 s/\%). The sample was cooled at 50 K/h to 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0509","0.0372","","","0.0909","0.0984","","","","","","1.022","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106611","14.797","0.0001","16.3421","0.0001","22.2778","0.0002","90","","99.6294","0.0004","90","","5311.18","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 P Rh -","- C55 H49 B F24 P Rh -","- C220 H196 B4 F96 P4 Rh4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0486","0.0339","","","0.0779","0.0843","","","","","","1.015","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106612","13.2923","0.0001","27.7709","0.0002","17.6139","0.0001","90","","94.9811","0.0003","90","","6477.42","0.08","150","2","150","2","","","","","The sample was placed directly into the cool stream at 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H59 B F26 Ir P -","- C67 H59 B F26 Ir P -","- C268 H236 B4 F104 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.035","0.0284","","","0.0673","0.0704","","","","","","1.037","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106613","14.7531","0.0001","16.4346","0.0001","22.5162","0.0002","90","","99.7112","0.0003","90","","5381.08","0.07","150","2","150","2","","","","","The sample was placed directly into the cool stream at 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0411","0.0287","","","0.0662","0.0715","","","","","","1.023","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106614","14.7572","0.0002","16.3685","0.0002","22.3728","0.0002","90","","99.9156","0.0005","90","","5323.5","0.11","100","2","100","2","","","","","The sample was placed directly into the cool stream at 150 K. Data was collected at 150 K (657.2\% @ 120 s/\%). The sample was then cooled at 100 K/h to 100 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0475","0.0317","","","0.0613","0.0666","","","","","","1.043","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106615","14.8328","0.0002","16.5004","0.0002","22.8358","0.0004","90","","99.3914","0.0005","90","","5514.09","0.14","250","2","250","2","","","","","The sample was placed directly into the cool stream at 250 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0961","0.0555","","","0.1475","0.1748","","","","","","1.025","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106616","14.7835","0.0001","16.4746","0.0002","22.6851","0.0003","90","","99.5354","0.0004","90","","5448.67","0.1","200","2","200","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0677","0.0432","","","0.1005","0.1125","","","","","","1.03","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106617","14.7593","0.0001","16.42","0.0002","22.522","0.0003","90","","99.7008","0.0004","90","","5380.11","0.1","150","2","150","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K. Data was collected at 200 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0554","0.038","","","0.0865","0.095","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","178812","2020-10-21","18:00:00",""
"4106618","14.7448","0.0001","16.38","0.0002","22.3674","0.0003","90","","99.8502","0.0005","90","","5322.53","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0456","0.0331","","","0.0752","0.081","","","","","","1.018","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106619","14.8313","0.0003","16.51","0.0003","22.8482","0.0005","90","","99.4395","0.0007","90","","5518.96","0.19","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0972","0.0546","","","0.1275","0.1521","","","","","","1.02","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106620","14.8328","0.0002","16.5004","0.0002","22.8358","0.0004","90","","99.3914","0.0005","90","","5514.09","0.14","250","2","250","2","","","","","The sample was placed directly into the cool stream at 250 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0965","0.0558","","","0.1485","0.176","","","","","","1.025","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106621","14.7835","0.0001","16.4746","0.0002","22.6851","0.0003","90","","99.5354","0.0004","90","","5448.67","0.1","200","2","200","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0678","0.0433","","","0.1006","0.1126","","","","","","1.033","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106622","14.7593","0.0001","16.42","0.0002","22.522","0.0003","90","","99.7008","0.0004","90","","5380.11","0.1","150","2","150","2","","","","","The sample was placed directly into the cool stream at 250 K. Data was collected at 250 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 200 K. Data was collected at 200 K (345.2\% @ 220 s/\%). The sample was cooled at 50 K/h to 150 K.","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0554","0.038","","","0.0864","0.0949","","","","","","1.012","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106623","14.7448","0.0001","16.38","0.0002","22.3674","0.0003","90","","99.8502","0.0005","90","","5322.53","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B F24 Ir P -","- C55 H49 B F24 Ir P -","- C220 H196 B4 F96 Ir4 P4 -","4","1","","Adrian B. Chaplin; Jennifer C. Green; Andrew S. Weller","C-C Activation in the Solid State in an Organometallic σ-Complex","Journal of the American Chemical Society","2011","133","","13162","13168","10.1021/ja2047599","","","0.71073","MoKα","","0.0455","0.0331","","","0.0749","0.0807","","","","","","1.016","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106624","11.4386","0.0007","12.7615","0.0008","16.3146","0.001","90","","100.44","0.001","90","","2342.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 P Si4 -","- C16 H40 P Si4 -","- C64 H160 P4 Si16 -","4","1","","Shintaro Ishida; Fumiya Hirakawa; Takeaki Iwamoto","A Stable Dialkylphosphinyl Radical","Journal of the American Chemical Society","2011","133","","12968","12971","10.1021/ja205001m","","","0.71073","MoKα","","0.0271","0.0246","","","0.0657","0.0684","","","","","","1.02","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106625","6.832","0.0006","21.5855","0.0018","16.0108","0.0014","90","","93.395","0.001","90","","2357","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Cl P Si4 -","- C16 H40 Cl P Si4 -","- C64 H160 Cl4 P4 Si16 -","4","1","","Shintaro Ishida; Fumiya Hirakawa; Takeaki Iwamoto","A Stable Dialkylphosphinyl Radical","Journal of the American Chemical Society","2011","133","","12968","12971","10.1021/ja205001m","","","0.71073","MoKα","","0.0405","0.0386","","","0.0969","0.0981","","","","","","1.157","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106626","11.3757","0.0019","12.764","0.002","16.481","0.003","90","","100.954","0.002","90","","2349.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H41 P Si4 -","- C16 H41 P Si4 -","- C64 H164 P4 Si16 -","4","1","","Shintaro Ishida; Fumiya Hirakawa; Takeaki Iwamoto","A Stable Dialkylphosphinyl Radical","Journal of the American Chemical Society","2011","133","","12968","12971","10.1021/ja205001m","","","0.71073","MoKα","","0.0327","0.0291","","","0.0765","0.0805","","","","","","1.043","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106627","8.2364","0.0005","9.6818","0.0006","26.1298","0.0016","90","","90","","90","","2083.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","YMW-V-48B","toste43","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste","Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters","Journal of the American Chemical Society","2011","133","","12972","12975","10.1021/ja205068j","","","1.54178","CuKα","","0.0322","0.0313","","","0.0822","0.0834","","","","","","1.065","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106628","11.3458","0.0003","25.4178","0.0008","20.5328","0.0006","90","","101.16","0.001","90","","5809.4","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","YMW-IV-179","toste39","","- C58 H54 Au2 Cl2 F6 N6 O3 -","- C58 H54 Au2 Cl2 F6 N6 O3 -","- C232 H216 Au8 Cl8 F24 N24 O12 -","4","2","","Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste","Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters","Journal of the American Chemical Society","2011","133","","12972","12975","10.1021/ja205068j","","","0.71073","MoKα","","0.0319","0.0289","","","0.0777","0.0791","","","","","","1.081","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106629","8.5513","0.0006","22.4101","0.0016","32.205","0.003","82.629","0.003","85.393","0.003","79.455","0.003","6007","0.8","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H43 B O2 P2 Pd Si -","- C43 H43 B O2 P2 Pd Si -","- C258 H258 B6 O12 P12 Pd6 Si6 -","6","3","","Jun Takaya; Naohiro Kirai; Nobuharu Iwasawa","Efficient Synthesis of Diborylalkenes from Alkenes and Diboron by a New PSiP-Pincer Palladium-Catalyzed Dehydrogenative Borylation","Journal of the American Chemical Society","2011","133","","12980","12983","10.1021/ja205186k","","","0.71075","MoKα","","0.0784","0.0617","","","0.1542","0.1726","","","","","","1.074","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106630","16.8225","0.0014","18.5882","0.0015","24.389","0.002","90","","90","","90","","7626.4","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 O2 Th2 -","- C82 H132 O2 Th2 -","- C328 H528 O8 Th8 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0704","0.0469","","","0.0834","0.0931","","","","","","0.958","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106631","17.0548","0.0014","17.0548","0.0014","12.2849","0.0012","90","","90","","120","","3094.5","0.5","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C47 H68 O2 Th -","- C47 H68 O2 Th -","- C141 H204 O6 Th3 -","3","0.5","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0347","0.0323","","","0.0522","0.0529","","","","","","0.978","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106632","10.8222","0.0014","12.0686","0.0014","16.1307","0.0019","96.32","0.002","102.403","0.002","101.971","0.002","1986.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H68 N2 O Th -","- C41 H68 N2 O Th -","- C82 H136 N4 O2 Th2 -","2","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0525","0.0426","","","0.0844","0.089","","","","","","1.002","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106633","11.6142","0.0008","16.9281","0.0012","20.2968","0.0013","90","","98.69","0.001","90","","3944.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H67 Cl O Si Th -","- C37 H67 Cl O Si Th -","- C148 H268 Cl4 O4 Si4 Th4 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0492","0.0325","","","0.0591","0.0639","","","","","","0.974","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106634","11.5414","0.001","17.3182","0.0014","20.2061","0.0017","90","","98.488","0.001","90","","3994.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H67 N O Si Th -","- C38 H67 N O Si Th -","- C152 H268 N4 O4 Si4 Th4 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0548","0.037","","","0.0738","0.0802","","","","","","0.995","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106635","10.281","0.005","10.986","0.005","21.757","0.013","102.819","0.012","91.689","0.013","115.728","0.008","2136.4","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H68 N S2 Th -","- C45 H68 N S2 Th -","- C90 H136 N2 S4 Th2 -","2","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0672","0.0508","","","0.0945","0.1016","","","","","","0.982","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106636","13.6037","0.0009","15.3141","0.001","24.7238","0.0013","90","","120.025","0.003","90","","4459.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 N2 S Th -","- C48 H70 N2 S Th -","- C192 H280 N8 S4 Th4 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0534","0.0314","","","0.0573","0.0632","","","","","","0.977","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106637","10.731","0.002","11.454","0.002","27.92","0.005","93.907","0.004","90.072","0.004","107.71","0.004","3260.6","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H116 S2 Th2 -","- C68 H116 S2 Th2 -","- C136 H232 S4 Th4 -","2","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0782","0.0501","","","0.0916","0.1037","","","","","","0.977","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106638","35.843","0.002","35.843","0.002","18.753","0.002","90","","90","","120","","20865","3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C246 H384 S18 Th6 -","- C246 H384 S18 Th6 -","- C738 H1152 S54 Th18 -","3","0.166667","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0872","0.0451","","","0.0859","0.0921","","","","","","0.765","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106639","12.5002","0.0013","38.967","0.004","20.8519","0.0017","90","","110.937","0.005","90","","9486.2","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H74 Cl N S2 Si Th -","- C45 H74 Cl N S2 Si Th -","- C360 H592 Cl8 N8 S16 Si8 Th8 -","8","2","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.1057","0.0718","","","0.1287","0.139","","","","","","1.142","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106640","19.9667","0.0018","13.528","0.0012","19.2161","0.0017","90","","118.476","0.002","90","","4562.5","0.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 O16 Re4 Sb2 -","- C40 H22 O16 Re4 Sb2 -","- C160 H88 O64 Re16 Sb8 -","4","0.5","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.034","0.0247","","","0.0465","0.0493","","","","","","1.044","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106641","10.8973","0.0015","11.0822","0.0015","22.043","0.003","94.339","0.002","91.57","0.003","114.493","0.002","2410.5","0.6","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 O16 P0 Pd2 Re4 Sb2 -","- C40 H22 O16 Pd2 Re4 Sb2 -","- C80 H44 O32 Pd4 Re8 Sb4 -","2","1","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.1389","0.0667","","","0.1372","0.1664","","","","","","0.965","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106642","35.2421","0.0015","52.7954","0.0019","10.2274","0.0004","90","","90","","90","","19029.3","1.3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C43 H25 O16 Pd0.5 Re4 Sb2 -","- C43 H25 O16 Pd0.511 Re4 Sb2 -","- C688 H400 O256 Pd8.176 Re64 Sb32 -","16","1","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.0446","0.0356","","","0.066","0.0692","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106643","6.1943","0.0007","11.4203","0.0013","15.7536","0.0018","90","","90","","90","","1114.4","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H19 B K N Si -","- C7 H19 B K N Si -","- C28 H76 B4 K4 N4 Si4 -","4","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0272","0.0253","","","0.0624","0.0636","","","","","","1.064","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106644","15.3393","0.0011","9.7577","0.0007","17.4261","0.0013","90","","98.999","0.001","90","","2576.2","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H43 B K N O6 Si -","- C19 H43 B K N O6 Si -","- C76 H172 B4 K4 N4 O24 Si4 -","4","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0522","0.0408","","","0.098","0.1061","","","","","","1.055","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106645","5.3364","0.0004","5.5873","0.0005","9.8555","0.0008","81.328","0.001","85.847","0.001","74.013","0.001","279.11","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 B N -","- C4 H12 B N -","- C8 H24 B2 N2 -","2","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0419","0.0401","","","0.1141","0.1168","","","","","","1.085","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106646","10.2172","0.0015","17.694","0.003","15.24","0.002","90","","94.914","0.003","90","","2745","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 B3 N3 -","- C12 H24 B3 N3 -","- C96 H192 B24 N24 -","8","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0956","0.0773","","","0.2144","0.2329","","","","","","1.056","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106647","8.961","0.003","9.259","0.003","12.207","0.004","77.131","0.004","81.294","0.004","73.893","0.004","944.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C40 H50 N6 O10 -","2","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0456","0.0391","","","0.1014","0.1064","","","","","","1.045","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106648","10.0906","0.0017","10.702","0.002","19.365","0.003","94.622","0.006","104.715","0.006","95.703","0.007","2000.4","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C80 H92 N12 O28 -","4","2","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0688","0.0585","","","0.125","0.1306","","","","","","1.119","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106649","7.5943","0.0007","14.3844","0.0014","14.7836","0.0014","77.337","0.001","84.962","0.001","81.67","0.002","1556.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C64 H68 N12 O20 -","4","2","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0482","0.0402","","","0.106","0.1112","","","","","","1.046","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106650","10.019","0.002","11.019","0.002","12.228","0.002","82.353","0.017","80.257","0.015","67.002","0.011","1221.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C40 H46 N6 O14 -","2","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0845","0.0752","","","0.2072","0.2138","","","","","","1.119","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106651","11.759","0.002","23.045","0.004","7.7057","0.0014","90","","107.406","0.002","90","","1992.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C80 H92 N12 O28 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0619","0.044","","","0.1116","0.1219","","","","","","1.055","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106652","8.3908","0.0014","9.8594","0.0015","10.8783","0.0017","65.913","0.008","75.686","0.011","75.628","0.011","785","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C32 H34 N6 O10 -","2","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0631","0.0559","","","0.1227","0.1274","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106653","22.975","0.004","12.4694","0.0016","7.5472","0.0011","90","","90","","90","","2162.2","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H25 Br N2 O5 -","- C22 H25 Br N2 O5 -","- C88 H100 Br4 N8 O20 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","1.54186","CuKα","","0.0374","0.034","","","0.0798","0.0826","","","","","","1.081","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106654","23.002","0.002","7.7747","0.0008","25.097","0.003","90","","90","","90","","4488.2","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C192 H232 N24 O48 -","8","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","1.54186","CuKα","","0.0499","0.0433","","","0.1032","0.1067","","","","","","1.091","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106655","6.9086","0.0018","12.855","0.003","24.098","0.007","90","","92.903","0.003","90","","2137.4","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O7 -","- C22 H25 N3 O7 -","- C88 H100 N12 O28 -","4","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","0.71073","MoKα","","0.0737","0.0689","","","0.1503","0.1533","","","","","","1.152","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106656","18.589","0.011","11.132","0.007","9.737","0.006","90","","104.105","0.008","90","","1954","2","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O -","- C22 H28 N2 O -","- C88 H112 N8 O4 -","4","1","","Ming-Tian Zhang; Tania Irebo; Olof Johansson; Leif Hammarström","Proton-Coupled Electron Transfer from Tyrosine: A Strong Rate Dependence on Intramolecular Proton Transfer Distance","Journal of the American Chemical Society","2011","133","","13224","13227","10.1021/ja203483j","","","0.71073","MoKα","","0.2086","0.1015","","","0.2771","0.3199","","","","","","1.031","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106657","10.8463","0.0016","12.4881","0.0019","20.328","0.004","76.245","0.007","80.117","0.008","64.878","0.006","2413.6","0.7","103.15","","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H95 Cl9 N6 O18 S6 -","- C93 H92 Cl9 N6 O18 S6 -","- C93 H92 Cl9 N6 O18 S6 -","1","0.5","","Takuma Yasuda; Tomohiro Shimizu; Feng Liu; Goran Ungar; Takashi Kato","Electro-Functional Octupolar π-Conjugated Columnar Liquid Crystals","Journal of the American Chemical Society","2011","133","","13437","13444","10.1021/ja2035255","","","0.7107","MoKα","","0.0531","0.0458","","","0.1057","0.1109","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106658","16.4887","0.0006","7.1507","0.0003","14.5744","0.0006","90","","101.336","0.001","90","","1684.88","0.12","100","","100","","","","","","","","diethylether","5","C 1 2 1","C 2y","5","","","","- C16 H17 Cl N2 O6 -","- C16 H17 Cl N2 O6 -","- C64 H68 Cl4 N8 O24 -","4","1","","Volker Hickmann; Azusa Kondoh; Barbara Gabor; Manuel Alcarazo; Alois Fürstner","Catalysis-Based and Protecting-Group-Free Total Syntheses of the Marine Oxylipins Hybridalactone and the Ecklonialactones A, B, and C","Journal of the American Chemical Society","2011","133","","13471","13480","10.1021/ja204027a","","","1.54178","Cu-Kα","","0.0281","0.0267","","","0.0594","0.0598","","","","","","1.083","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106659","9.175","0.005","8.368","0.005","14.289","0.005","90","0.005","100.801","0.005","90","0.005","1077.6","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O6 -","- C22 H22 Br N O6 -","- C44 H44 Br2 N2 O12 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.0253","0.0247","","","0.0583","0.0586","","","","","","1","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106660","11.336","0.0015","6.2113","0.0007","15.8921","0.0019","90","","100.095","0.013","90","","1101.7","0.2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O8 -","- C20 H24 Cl N O8 -","- C40 H48 Cl2 N2 O16 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.0718","0.0386","","","0.0888","0.1264","","","","","","1.072","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106661","12.6724","0.0006","5.5879","0.0003","14.6076","0.0006","90","","110.988","0.005","90","","965.77","0.09","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C36 H44 Cl2 N2 O10 -","2","1","","Long He; Xiao-Hua Chen; De-Nan Wang; Shi-Wei Luo; Wen-Quan Zhang; Jie Yu; Lei Ren; Liu-Zhu Gong","Binaphthol-Derived Bisphosphoric Acids Serve as Efficient Organocatalysts for Highly Enantioselective 1,3-Dipolar Cycloaddition of Azomethine Ylides to Electron-Deficient Olefins","Journal of the American Chemical Society","2011","133","","13504","13518","10.1021/ja204218h","","","1.54184","CuKα","","0.055","0.0471","","","0.0984","0.1047","","","","","","1.012","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106662","10.9465","0.0016","28.851","0.005","32.054","0.005","90","","94.241","0.007","90","","10095","3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C99 H115 B2 Cl3 N10 O11 Ru2 -","- C98 H114 B2 N10 O11 Ru2 -","- C392 H456 B8 N40 O44 Ru8 -","4","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71069","MoKα","","0.0644","0.046","","","0.0894","0.0948","","","","","","1.002","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106663","9.8754","0.0014","18.263","0.003","18.489","0.003","96.479","0.008","103.164","0.007","90.168","0.007","3224.8","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H20 B F16 N5 O5 Ru -","- C23 H20 B F16 N5 O5 Ru -","- C92 H80 B4 F64 N20 O20 Ru4 -","4","2","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71073","MoKα","","0.0617","0.0435","","","0.1104","0.1248","","","","","","1.082","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106664","10.6135","0.0003","12.8879","0.0004","14.7751","0.0004","80.475","0.001","87.429","0.001","83.043","0.001","1977.85","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 Co F12 N5 O5 Ru -","- C33 H30 Co F12 N5 O5 Ru -","- C66 H60 Co2 F24 N10 O10 Ru2 -","2","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Electronic Structure Investigations of Neutral and Charged Ruthenium Bis(β-diketonate) Complexes of Redox-Active Verdazyl Radicals","Journal of the American Chemical Society","2011","133","","13587","13603","10.1021/ja204575u","","","0.71073","MoKα","","0.0456","0.033","","","0.0935","0.1056","","","","","","1.112","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106665","40.1663","0.0007","10.0105","0.00018","18.0352","0.0013","90","","99.864","0.007","90","","7144.5","0.6","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 Co Fe N12 O4.5 -","- C36 H31 Co Fe N12 O4.5 -","- C288 H248 Co8 Fe8 N96 O36 -","8","1","","Gözde Ulas; Gary W. Brudvig","Redirecting Electron Transfer in Photosystem II from Water to Redox-Active Metal Complexes","Journal of the American Chemical Society","2011","133","","13260","13263","10.1021/ja2049226","","","1.54187","CuKα","","","0.0377","","","","0.0996","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106666","24.7961","0.0016","11.9905","0.0008","21.8533","0.0014","90","","104.655","0.001","90","","6286","0.7","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C68 H90 Cr2 O9 -","- C68 H90 Cr2 O9 -","- C272 H360 Cr8 O36 -","4","0.5","","Matthew E. O'Reilly; Trevor J. Del Castillo; Joseph M. Falkowski; Vasanth Ramachandran; Mekhala Pati; Marie C. Correia; Khalil A. Abboud; Naresh S. Dalal; David E. Richardson; Adam S. Veige","Autocatalytic O2 Cleavage by an OCO3-Trianionic Pincer CrIII Complex: Isolation and Characterization of the Autocatalytic Intermediate [CrIV]2(μ-O) Dimer","Journal of the American Chemical Society","2011","133","","13661","13673","10.1021/ja2050474","","","0.71073","MoKα","","0.0849","0.0518","","","0.1227","0.1345","","","","","","0.989","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106667","32.3941","0.0019","47.504","0.003","36.205","0.002","90","","104.098","0.002","90","","54036","6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C212 H216 B8 F32 Fe4 N44 O40 -","- C192 H155.5 Fe4 N24 -","- C1536 H1244 Fe32 N192 -","8","2","","Wenjing Meng; Jack K. Clegg; John D. Thoburn; Jonathan R. Nitschke","Controlling the Transmission of Stereochemical Information through Space in Terphenyl-Edged Fe4L6 Cages","Journal of the American Chemical Society","2011","133","","13652","13660","10.1021/ja205254s","","","0.71073","MoKα","","0.1809","0.1354","","","0.3483","0.3726","","","","","","1.176","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106668","29.665","0.0011","12.69","0.0005","15.048","0.0005","90","","96.166","0.0017","90","","5632","0.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Cl2 N3 O3 Re -","- C27 H38 Cl2 N3 O3 Re -","- C216 H304 Cl16 N24 O24 Re8 -","8","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0633","0.0319","","","0.0611","0.0689","","","","","","1.038","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106669","15.2121","0.0006","13.224","0.0005","21.2579","0.0009","90","","90","","90","","4276.3","0.3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H14 F10 N3 O2 Re -","- C19 H14 F10 N3 O2 Re -","- C152 H112 F80 N24 O16 Re8 -","8","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0663","0.0318","","","0.0617","0.072","","","","","","1.028","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106670","7.5547","0.0003","17.9801","0.0006","8.141","0.0003","90","","96.036","0.002","90","","1099.7","0.07","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H14 F10 N3 O3 Re -","- C20 H14 F10 N3 O3 Re -","- C40 H28 F20 N6 O6 Re2 -","2","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0508","0.0352","","","0.0491","0.0527","","","","","","0.978","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106671","6.7185","0.0004","11.1467","0.0007","14.5891","0.0009","79.979","0.003","77.514","0.003","89.983","0.003","1049.66","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 F10 N3 O3 Re -","- C19 H14 F10 N3 O3 Re -","- C38 H28 F20 N6 O6 Re2 -","2","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0363","0.027","","","0.0503","0.0522","","","","","","1.067","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106672","16.0653","0.0008","15.0897","0.0007","23.972","0.0011","90","","96.86","0.003","90","","5769.7","0.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 Cl N3 O2 Re -","- C28 H43 Cl N3 O2 Re -","- C224 H344 Cl8 N24 O16 Re8 -","8","2","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0899","0.0408","","","0.0842","0.1006","","","","","","1.072","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106673","10.7895","0.0005","10.7895","0.0005","72.85","0.007","90","","90","","120","","7344.5","0.9","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C52 H78 N8 O2 -","- C52 H78 N8 O2 -","- C312 H468 N48 O12 -","6","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2011","133","","13761","13761","10.1021/ja205501q","","","0.71073","MoKα","","0.0858","0.083","","","0.2018","0.2034","","","","","","1.24","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106674","17.7379","0.0011","11.9358","0.0007","11.4315","0.001","90","","90.061","0.009","90","","2420.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H45 Li N4 Zn -","- C19 H45 Li N4 Zn -","- C76 H180 Li4 N16 Zn4 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.082","0.0541","","","0.1206","0.1289","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106675","8.7028","0.0006","10.0294","0.0007","11.2396","0.0007","82.577","0.005","78.661","0.006","81.212","0.006","945.6","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H70 Li2 N4 O2 Zn2 -","- C32 H70 Li2 N4 O2 Zn2 -","- C32 H70 Li2 N4 O2 Zn2 -","1","0.5","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","0.71073","MoKα","","0.0754","0.0448","","","0.0771","0.0834","","","","","","0.99","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106676","10.0019","0.0002","15.417","0.0005","20.577","0.0006","90","","96.674","0.002","90","","3151.46","0.15","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 Li2 N6 Zn -","- C24 H60 Li2 N6 Zn -","- C96 H240 Li8 N24 Zn4 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","0.71073","MoKα","","0.0863","0.0458","","","0.091","0.0978","","","","","","0.909","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106677","19.7144","0.0014","9.2884","0.0006","20.2438","0.0014","90","","94.958","0.006","90","","3693.1","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H68 Li4 N8 -","- C28 H68 Li4 N8 -","- C112 H272 Li16 N32 -","4","0.5","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","0.71073","MoKα","","0.0907","0.0523","","","0.1418","0.1519","","","","","","0.965","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106678","9.6661","0.0003","9.8248","0.0005","15.2836","0.0007","81.497","0.004","88.765","0.003","84.978","0.003","1429.93","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H49 N2 Na O3 Zn -","- C24 H49 N2 Na O3 Zn -","- C48 H98 N4 Na2 O6 Zn2 -","2","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.0611","0.0582","","","0.1663","0.1701","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106679","14.0362","0.0012","19.075","0.0014","18.1701","0.0014","90","","93.665","0.007","90","","4854.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.25 H91.25 N8 Na2 Zn2 -","- C38.25 H91.25 N8 Na2 Zn2 -","- C153 H365 N32 Na8 Zn8 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.1111","0.0605","","","0.1422","0.1515","","","","","","0.944","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106680","30.803","0.001","30.803","0.001","30.803","0.001","90","","90","","90","","29226.7","1.6","293","2","293","2","","","","","","","synthesis as described","6","P m -3 m","-P 4 2 3","221","","","","- C336 H240 F48 N48 O24 Pt12 -","- C336 H240 F48.32 N48 O24 Pt12 -","- C336 H240 F48.32 N48 O24 Pt12 -","1","0.0208333","","Daishi Fujita; Asana Takahashi; Sota Sato; Makoto Fujita","Self-Assembly of Pt(II) Spherical Complexes via Temporary Labilization of the Metal-Ligand Association in 2,2,2-Trifluoroethanol","Journal of the American Chemical Society","2011","133","","13317","13319","10.1021/ja2059236","","x-ray","0.75","synchrotron","","0.1411","0.1081","","","0.3217","0.3409","","","","","","1.24","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106681","8.1756","0.0005","19.3065","0.0013","8.7629","0.0006","90","","114.448","0.001","90","","1259.14","0.14","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu2 N8 O8 -","- C20 H24 Cu2 N8 O8 -","- C40 H48 Cu4 N16 O16 -","2","0.5","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0224","0.0206","","","0.0571","0.0581","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106682","8.0771","0.0011","19.731","0.003","17.378","0.002","90","","92.421","0.002","90","","2767","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cu2 N8 O8 -","- C22 H28 Cu2 N8 O8 -","- C88 H112 Cu8 N32 O32 -","4","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.061","0.0528","","","0.1299","0.1348","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106683","8.6638","0.0004","12.9337","0.0007","18.688","0.001","90","","90","","90","","2094.08","0.19","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu N6 O4 -","- C6 H8 Cu N6 O4 -","- C48 H64 Cu8 N48 O32 -","8","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0552","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106684","11.3067","0.0018","9.8359","0.0018","17.993","0.003","90","","93.869","0.003","90","","1996.5","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Cu2 O6 -","- C6 H12 Cu2 O6 -","- C48 H96 Cu16 O48 -","8","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0859","0.0531","","","0.1245","0.1438","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106685","11.6811","0.0007","15.1266","0.0009","23.7925","0.0014","81.496","0.001","88.231","0.001","77.396","0.001","4057.6","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H102 Cu14 O8 -","- C68 H102 Cu14 O8 -","- C136 H204 Cu28 O16 -","2","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0427","0.0303","","","0.0681","0.0722","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106686","10.8256","0.0005","10.8722","0.0005","11.1507","0.0005","90","","117.48","","90","","1164.34","0.09","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 -","- C12 H18 -","- C48 H72 -","4","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0623","0.0555","","","0.165","0.1729","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106687","11.905","0.0017","14.3684","0.0019","11.905","0.0017","90","","117.48","","90","","1806.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 Cr0 N2 O23 S4 V6 -","- C16 H42 N2 O23 S4 V6 -","- C32 H84 N4 O46 S8 V12 -","2","0.5","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.1175","0.0781","","","0.169","0.1885","","","","","","1.022","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106688","20.8395","0.0007","23.0194","0.0007","24.8572","0.0008","90","","90","","90","","11924.3","0.7","173","2","173","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C40 H88 N4 O19 V6 -","- C40 H88 N4 O19 V6 -","- C320 H704 N32 O152 V48 -","8","0.5","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.0599","0.0418","","","0.1056","0.1137","","","","","","1.027","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106689","37.7321","0.0012","18.0806","0.0005","24.034","0.0008","90","","109.719","0.002","90","","15434.9","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H103 N4.5 O22.5 V6 -","- C75 H103 N4.5 O22.5 V6 -","- C600 H824 N36 O180 V48 -","8","1","","Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu","Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties","Journal of the American Chemical Society","2011","133","","14010","14016","10.1021/ja204034g","","","0.71073","MoKα","","0.2225","0.0867","","","0.2193","0.2803","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106690","13.0968","0.0006","14.0641","0.0007","23.0032","0.0011","90","","90","","90","","4237.1","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 O2 P2 Ru -","- C56 H42 O2 P2 Ru -","- C224 H168 O8 P8 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0337","0.0268","","","0.0535","0.0561","","","","","","1.027","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106691","13.1015","0.0005","13.4592","0.0005","28.5044","0.001","90","","90","","90","","5026.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H53 N O3 P2 Ru -","- C62 H53 N O3 P2 Ru -","- C248 H212 N4 O12 P8 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0593","0.038","","","0.0728","0.0812","","","","","","1.023","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106692","18.0557","0.0004","19.4773","0.0005","12.7568","0.0003","90","","90","","90","","4486.26","0.19","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C53 H49 N2 O3.25 P Ru -","- C53 H49 N2 O3.25 P Ru -","- C212 H196 N8 O13 P4 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0331","0.0316","","","0.0969","0.0985","","","","","","1.083","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106693","19.3461","0.0006","8.9264","0.0003","24.7549","0.0008","90","","105.939","0.002","90","","4110.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H110 Cl2 N4 -","- C96 H108 N4 -","- C192 H216 N8 -","2","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0956","0.0877","","","0.2382","0.2442","","","","","","1.063","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106694","19.4024","0.0007","8.9759","0.0003","24.5083","0.0007","90","","106.389","0.003","90","","4094.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H112 N4 O -","- C96 H108 N4 -","- C192 H216 N8 -","2","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.1302","0.0891","","","0.2339","0.2609","","","","","","0.977","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106695","42.96","0.017","9.082","0.004","24.092","0.01","90","","105.579","0.011","90","","9054","7","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C98 H112 Cl4 N4 -","- C96 H108 N4 -","- C384 H432 N16 -","4","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","0.71073","MoKα","","0.1261","0.0567","","","0.1349","0.1564","","","","","","0.903","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106696","19.277","0.003","48.012","0.007","10.382","0.002","90","","122.58","","90","","8097","2","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C100 H116 N4 -","- C100 H116 N4 -","- C400 H464 N16 -","4","1","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0474","0.0436","","","0.1126","0.1152","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106697","9.0398","0.0009","14.0715","0.0013","14.9754","0.0014","68.419","0.003","77.031","0.003","73.791","0.004","1685.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H80 Cl4 N4 -","- C82 H80 Cl4 N4 -","- C82 H80 Cl4 N4 -","1","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","0.71073","MoKα","","0.0709","0.0531","","","0.1431","0.1552","","","","","","1.045","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106698","9.2308","0.0004","13.2487","0.0006","15.2331","0.0007","68.242","0.002","74.84","0.002","75.25","0.002","1643.98","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H80 Cl2 N4 -","- C82 H80 Cl2 N4 -","- C82 H80 Cl2 N4 -","1","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.0525","0.0484","","","0.134","0.1383","","","","","","1.043","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106699","9.6728","0.0002","12.2684","0.0002","15.8148","0.0003","95.993","0.001","98.72","0.001","102.365","0.001","1793.72","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C92 H100 N4 -","- C92 H100 N4 -","- C92 H100 N4 -","1","0.5","","Aaron D. Finke; Dustin E. Gross; Amy Han; Jeffrey S. Moore","Engineering Solid-State Morphologies in Carbazole-Ethynylene Macrocycles","Journal of the American Chemical Society","2011","133","","14063","14070","10.1021/ja204795q","","","1.54178","CuKα","","0.1279","0.0952","","","0.2565","0.2814","","","","","","1.05","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106700","14.2975","0.0013","7.2035","0.0007","9.9433","0.0009","90","","101.939","0.004","90","","1001.93","0.16","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C32 H72 Cl4 N4 -","4","1","","Jun Wang; Chunlong Ma; Yibing Wu; Robert A. Lamb; Lawrence H. Pinto; William F. DeGrado","Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel","Journal of the American Chemical Society","2011","133","","13844","13847","10.1021/ja2050666","","","0.71073","MoKα","","0.0318","0.0274","","","0.0724","0.078","","","","","","1.09","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106701","6.1466","0.0003","29.0217","0.0017","6.3483","0.0003","90","","109.534","0.002","90","","1067.26","0.1","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H18 Cl N Si -","- C7 H18 Cl N Si -","- C28 H72 Cl4 N4 Si4 -","4","1","","Jun Wang; Chunlong Ma; Yibing Wu; Robert A. Lamb; Lawrence H. Pinto; William F. DeGrado","Exploring Organosilane Amines as Potent Inhibitors and Structural Probes of Influenza A Virus M2 Proton Channel","Journal of the American Chemical Society","2011","133","","13844","13847","10.1021/ja2050666","","","0.71073","MoKα","","0.071","0.0674","","","0.1513","0.1526","","","","","","1.268","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106702","8.2905","0.0003","10.0263","0.0003","23.1917","0.0008","90","","90","","90","","1927.76","0.11","100","","100","","","","","","","","LOC ETH Zurich","6","P b c a","-P 2ac 2ab","61","","2-fluoro-4,5-dimethyl-2-phenyl-1,3,4,2-dioxazaborol-4-ium-2-uide","","- C9 H11 B F N O2 -","- C9 H11 B F N O2 -","- C72 H88 B8 F8 N8 O16 -","8","1","","Cam-Van T. Vo; T. Andrew Mitchell; Jeffrey W. Bode","Expanded Substrate Scope and Improved Reactivity of Ether-Forming Cross-Coupling Reactions of Organotrifluoroborates and Acetals","Journal of the American Chemical Society","2011","133","","14082","14089","10.1021/ja205174c","","","0.71073","MoKα","","0.0563","0.0412","","","0.1231","0.1441","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106703","10.967","0.002","16.718","0.003","12.659","0.003","90","","91.286","0.005","90","","2320.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 Fe6 N18 O6 -","- C46 H48 Fe6 N18 O6 -","- C92 H96 Fe12 N36 O12 -","2","0.5","","T. David Harris; Theodore A. Betley","Multi-Site Reactivity: Reduction of Six Equivalents of Nitrite To Give an Fe6(NO)6 Cluster with a Dramatically Expanded Octahedral Core","Journal of the American Chemical Society","2011","133","","13852","13855","10.1021/ja2052655","","","0.71073","MoKα","","0.1315","0.0558","","","0.0893","0.1121","","","","","","0.984","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106704","13.0992","0.0019","13.669","0.002","24.162","0.003","90","","94.322","0.002","90","","4314","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H121.5 Fe6 N20.5 O12 -","- C79 H121.5 Fe6 N20.5 O12 -","- C158 H243 Fe12 N41 O24 -","2","0.5","","T. David Harris; Theodore A. Betley","Multi-Site Reactivity: Reduction of Six Equivalents of Nitrite To Give an Fe6(NO)6 Cluster with a Dramatically Expanded Octahedral Core","Journal of the American Chemical Society","2011","133","","13852","13855","10.1021/ja2052655","","","0.71073","MoKα","","0.1746","0.0996","","","0.2239","0.2609","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106705","5.7685","0.0003","10.6003","0.0005","12.1274","0.0006","90","","94.518","0.002","90","","739.26","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C42 H32 O6 -","2","1","","James A. Birrell; Jean-Nicolas Desrosiers; Eric N. Jacobsen","Enantioselective Acylation of Silyl Ketene Acetals through Fluoride Anion-Binding Catalysis","Journal of the American Chemical Society","2011","133","","13872","13875","10.1021/ja205602j","","","1.54178","CuKα","","0.0218","0.0217","","","0.0563","0.0564","","","","","","1.047","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106706","11.003","0.002","13.965","0.003","21.741","0.004","90","","90.25","0.03","90","","3340.6","1.1","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H85 Au2 N P2 -","- C72 H82 Au2 N P2 -","- C144 H164 Au4 N2 P4 -","2","0.5","","Wei Lu; Wai-Ming Kwok; Chensheng Ma; Chris Tsz-Leung Chan; Ming-Xin Zhu; Chi-Ming Che","Organic Triplet Excited States of Gold(I) Complexes with Oligo(o- orm-phenyleneethynylene) Ligands: Conjunction of Steady-State and Time-Resolved Spectroscopic Studies on Exciton Delocalization and Emission Pathways","Journal of the American Chemical Society","2011","133","","14120","14135","10.1021/ja205831v","","","0.71073","MoKα","","0.0565","0.0395","","","0.1023","0.1072","","","","","","0.966","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106707","18.1581","0.0002","15.6513","0.0002","19.1011","0.0002","90","","107.021","0.0004","90","","5190.71","0.1","120","2","120","2","","","","","","","Marco Wenzel","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 F15 N9 O3 S3 -","- C43 H54 F15 N9 O3 S3 -","- C172 H216 F60 N36 O12 S12 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1197","0.1073","","","0.2222","0.23","","","","","","1.054","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4106708","9.4003","0.0003","12.4017","0.0003","12.7967","0.0004","85.417","0.002","70.634","0.002","72.182","0.002","1339.53","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 F3 N7 O3 -","- C27 H30 F3 N7 O3 -","- C54 H60 F6 N14 O6 -","2","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0662","0.0507","","","0.0978","0.1065","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106709","7.7351","0.0015","18.62","0.004","20.778","0.004","108.11","0.03","90.13","0.03","95.55","0.03","2829.4","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 F3 N7 S3 -","- C27 H30 F3 N7 S3 -","- C108 H120 F12 N28 S12 -","4","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0846","0.0638","","","0.1414","0.1559","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106710","9.4376","0.0001","24.647","0.0002","15.5593","0.0002","90","","91.717","0.001","90","","3617.6","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 F9 N7 O S3 -","- C32 H36 F9 N7 O S3 -","- C128 H144 F36 N28 O4 S12 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0537","0.0444","","","0.112","0.1178","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106711","14.296","0.003","13.337","0.003","24.209","0.005","90","","103.24","0.03","90","","4493.1","1.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H66 Cl F3 N8 O3 -","- C43 H66 Cl F3 N8 O3 -","- C172 H264 Cl4 F12 N32 O12 -","4","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0546","0.0484","","","0.1111","0.1142","","","","","","1.154","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106712","15.5466","0.0002","12.5639","0.0002","24.0788","0.0004","90","","98.139","0.001","90","","4655.84","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 Cl F3 N8 S3 -","- C43 H66 Cl F3 N8 S3 -","- C172 H264 Cl4 F12 N32 S12 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0936","0.0734","","","0.1795","0.1986","","","","","","1.013","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106713","11.883","0.0002","14.077","0.0002","16.0453","0.0001","80.918","0.001","81.677","0.001","80.137","0.001","2592","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H54 Cl F15 N8 S3 -","- C43 H54 Cl F15 N8 S3 -","- C86 H108 Cl2 F30 N16 S6 -","2","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.051","0.0425","","","0.1268","0.1331","","","","","","1.142","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106714","13.3402","0.0002","13.9433","0.0003","16.0351","0.0003","110.739","0.001","108.838","0.001","97.067","0.001","2543.25","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 F6 N16 O6 S7 -","- C94 H152 F6 N16 O6 S7 -","- C94 H152 F6 N16 O6 S7 -","1","0.5","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0789","0.0598","","","0.1475","0.1606","","","","","","1.04","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106715","22.5108","0.0002","12.6543","0.0002","27.685","0.0004","90","","103.915","0.001","90","","7654.87","0.18","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C65 H104 F15 N9 O4 S4 -","- C65 H104 F15 N9 O4 S4 -","- C260 H416 F60 N36 O16 S16 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.097","0.0782","","","0.1888","0.2084","","","","","","1.171","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106716","31.8754","0.0002","17.8361","0.0001","19.9633","0.0001","90","","117.654","0.0004","90","","10053.3","0.11","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87 H106 F36 N16 O11 S2 -","- C87 H106 F36 N16 O11 S2 -","- C348 H424 F144 N64 O44 S8 -","4","0.5","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0744","0.0646","","","0.1636","0.174","","","","","","1.068","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106717","23.0166","0.0003","18.0997","0.0002","23.5278","0.0003","90","","111.435","0.001","90","","9123.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl2 F15 N8 S3 -","- C36 H39 Cl2 F15 N8 S3 -","- C288 H312 Cl16 F120 N64 S24 -","8","2","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1275","0.096","","","0.242","0.2721","","","","","","1.048","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106718","13.3126","0.0002","13.8595","0.0002","16.0796","0.0003","110.712","0.001","109.217","0.001","96.384","0.001","2531.92","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H132 F6 N16 O4 P S6 -","- C86 H132 F6 N16 O4 P S6 -","- C86 H132 F6 N16 O4 P S6 -","1","0.5","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.0653","0.053","","","0.1384","0.147","","","","","","1.082","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106719","12.0334","0.0019","16.235","0.003","16.947","0.003","76.759","0.009","74.367","0.011","77.746","0.01","3063.3","0.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H66 F15 N8 O5 P S3 -","- C47 H66 F15 N8 O5 P S3 -","- C94 H132 F30 N16 O10 P2 S6 -","2","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1725","0.1323","","","0.3319","0.36","","","","","","1.079","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106720","17.8434","0.0003","26.1975","0.0005","26.2403","0.0005","90","","107.687","0.001","90","","11686.3","0.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H126 F36 N16 O4 P S6 -","- C98 H126 F36 N16 O4 P S6 -","- C392 H504 F144 N64 O16 P4 S24 -","4","1","","Nathalie Busschaert; Marco Wenzel; Mark E. Light; Paulina Iglesias-Hernández; Ricardo Pérez-Tomás; Philip A. Gale","Structure-Activity Relationships in Tripodal Transmembrane Anion Transporters: The Effect of Fluorination","Journal of the American Chemical Society","2011","133","","14136","14148","10.1021/ja205884y","","","0.71073","MoKα","","0.1584","0.09","","","0.1581","0.1925","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106721","13.55","0.003","6.4558","0.0013","32.423","0.007","90","","90","","90","","2836.2","1","150","1","150","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H13 B Br N O5 -","- C13 H13 B Br N O5 -","- C104 H104 B8 Br8 N8 O40 -","8","2","","Zhi He; Andrei K. Yudin","Amphoteric α-Boryl Aldehydes","Journal of the American Chemical Society","2011","133","","13770","13773","10.1021/ja205910d","","","0.71073","MoKα","","0.1518","0.0829","","","0.1961","0.2369","","","","","","1.003","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106722","7.217","0.003","10.952","0.004","10.924","0.004","90","","93.419","0.006","90","","861.9","0.6","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C34 H52 B2 N2 O8 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0348","0.0323","","","0.0819","0.0836","","","","","","1.076","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106723","7.0616","0.0006","10.2832","0.0008","29.237","0.002","90","","90","","90","","2123.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 B N O5 -","- C22 H28 B N O5 -","- C88 H112 B4 N4 O20 -","4","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0532","0.0369","","","0.0826","0.0889","","","","","","1.027","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106724","7.4261","0.0006","10.3634","0.0008","11.3317","0.0009","90","","99.312","0.003","90","","860.59","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 B N O5 -","- C17 H26 B N O5 -","- C34 H52 B2 N2 O10 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0421","0.034","","","0.0794","0.0832","","","","","","1.051","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106725","7.2683","0.0004","10.2312","0.0006","10.5809","0.0006","90","","93.78","0.003","90","","785.12","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 B N O5 -","- C16 H24 B N O5 -","- C32 H48 B2 N2 O10 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0314","0.0293","","","0.0785","0.0799","","","","","","1.051","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106726","11.4292","0.0011","13.9385","0.0013","11.4429","0.0012","90","","91.216","0.006","90","","1822.5","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H44 B Cl2 N O6 -","- C38 H44 B Cl2 N O6 -","- C76 H88 B2 Cl4 N2 O12 -","2","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.1107","0.0528","","","0.0994","0.1198","","","","","","0.965","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106727","5.8888","0.0001","8.9545","0.0001","28.5863","0.0004","90","","90","","90","","1507.39","0.04","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Aurélien Bigot; Alice E. Williamson; Matthew J. Gaunt","Enantioselective α-Arylation of N-Acyloxazolidinones with Copper(II)-bisoxazoline Catalysts and Diaryliodonium Salts","Journal of the American Chemical Society","2011","133","","13778","13781","10.1021/ja206047h","","","0.71073","MoKα","","0.0371","0.029","","","0.068","0.07","","","","","","0.967","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106728","8.6245","0.0003","14.7525","0.0006","16.9723","0.0006","101.741","0.002","93.206","0.002","92.356","0.002","2107.9","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl2 F3 N2 O4 -","- C17 H25 Cl2 F3 N2 O4 -","- C68 H100 Cl8 F12 N8 O16 -","4","2","","Shun Su; Rodrigo A. Rodriguez; Phil S. Baran","Scalable, Stereocontrolled Total Syntheses of (\±)-Axinellamines A and B","Journal of the American Chemical Society","2011","133","","13922","13925","10.1021/ja206191g","","","0.71073","MoKα","","0.0584","0.0385","","","0.0897","0.1009","","","","","","1.015","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106729","7.6055","0.001","21.324","0.003","14.1065","0.0018","90","","98.636","0.002","90","","2261.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl F6 N10 O4 -","- C15 H17 Cl F6 N10 O4 -","- C60 H68 Cl4 F24 N40 O16 -","4","1","","Shun Su; Rodrigo A. Rodriguez; Phil S. Baran","Scalable, Stereocontrolled Total Syntheses of (\±)-Axinellamines A and B","Journal of the American Chemical Society","2011","133","","13922","13925","10.1021/ja206191g","","","0.71073","MoKα","","0.0531","0.0411","","","0.096","0.1027","","","","","","1.035","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106730","4.742","","25.691","","12.212","","90","","90","","90","","1487.75","","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H28 F3 N4 O7 S -","- C31 H29 F3 N4 O7 S -","- C62 H58 F6 N8 O14 S2 -","2","1","","Changliang Ren; Victor Maurizot; Huaiqing Zhao; Jie Shen; Feng Zhou; Wei Qiang Ong; Zhiyun Du; Kun Zhang; Haibin Su; Huaqiang Zeng","Five-Fold-Symmetric Macrocyclic Aromatic Pentamers: High-Affinity Cation Recognition, Ion-Pair-Induced Columnar Stacking, and Nanofibrillation","Journal of the American Chemical Society","2011","133","","13930","13933","10.1021/ja206457b","","","0.71073","MoKα","","0.0948","0.0889","","","0.181","0.197","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106731","18.941","0.004","36.035","0.007","38.593","0.008","90","","90","","90","","26341","9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C122 H152 N8 O6 S -","- C122 H87 N8 O6 S -","- C976 H696 N64 O48 S8 -","8","2","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.77","synchrotron","","0.0965","0.0797","","","0.2141","0.2283","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106732","18.534","0.004","27.265","0.006","27.405","0.006","90","","90","","90","","13849","5","96","2","96","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C148 H198 N8 O6 S -","- C148 H135 N8 O6 S -","- C592 H540 N32 O24 S4 -","4","1","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.85","synchrotron","","0.1209","0.1061","","","0.2637","0.2792","","","","","","1.148","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106733","10.987","0.002","29.8","0.006","36.063","0.007","90","","90","","90","","11807","4","96","2","96","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C135 H168 N8 O6 S -","- C135 H156 N8 O6 S -","- C540 H624 N32 O24 S4 -","4","1","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.8","synchrotron","","0.0552","0.0501","","","0.1372","0.1419","","","","","","1.081","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106734","22.201","0.002","11.1821","0.0012","13.4257","0.0015","90","","107.456","0.002","90","","3179.5","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.0661","0.0482","","","0.1058","0.1167","","","","","","1.035","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106735","15.3267","0.0011","16.7395","0.0013","6.3806","0.0005","90","","90","","90","","1637","0.2","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.0549","0.0397","","","0.0981","0.1167","","","","","","1.082","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106736","3.8265","0.0003","11.2288","0.0007","27.0378","0.0017","90","","92.558","0.002","90","","1160.58","0.14","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba","Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates","Journal of the American Chemical Society","2011","133","","13942","13945","10.1021/ja206580j","","","0.71073","MoKα","","0.056","0.0423","","","0.1102","0.1283","","","","","","1.11","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106737","8.588","0.002","10.497","0.003","13.784","0.003","90","","112.505","0.011","90","","1148","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N O2.5 -","- C5 H8 N O2.5 -","- C40 H64 N8 O20 -","8","2","","Baidya, Mahiuddin; Yamamoto, Hisashi","Metal Nitrite: A Powerful Oxidizing Reagent","Journal of the American Chemical Society","2011","133","35","13880","13882","10.1021/ja206736q","","","0.71073","MoKα","","0.0603","0.044","","","0.1","0.1045","","","","","","0.977","","","","has coordinates","219271","2020-10-21","18:00:00",""
"4106738","5.492","0.004","8.188","0.006","13.97","0.01","96.069","0.012","100.109","0.011","104.7","0.011","590.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C24 H42 N2 O4 -","2","1","","Baidya, Mahiuddin; Yamamoto, Hisashi","Metal Nitrite: A Powerful Oxidizing Reagent","Journal of the American Chemical Society","2011","133","35","13880","13882","10.1021/ja206736q","","","0.71073","MoKα","","0.0653","0.0527","","","0.1373","0.1436","","","","","","1.038","","","","has coordinates","219271","2020-10-21","18:00:00",""
"4106739","18.558","0.003","6.8755","0.0013","15.82","0.003","90","","110.613","0.004","90","","1889.3","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N2 O8 -","- C18 H26 N2 O8 -","- C72 H104 N8 O32 -","4","0.5","","Baidya, Mahiuddin; Yamamoto, Hisashi","Metal Nitrite: A Powerful Oxidizing Reagent","Journal of the American Chemical Society","2011","133","35","13880","13882","10.1021/ja206736q","","","0.71073","MoKα","","0.0825","0.049","","","0.0924","0.1011","","","","","","0.883","","","","has coordinates","219271","2020-10-21","18:00:00",""
"4106740","9.8072","0.0004","10.5644","0.0004","15.4385","0.0007","92.008","0.002","94.622","0.002","95.187","0.002","1586.37","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","IPrAuCH2CH2tBu","","","- C33 H49 Au N2 -","- C33 H49 Au N2 -","- C66 H98 Au2 N4 -","2","1","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0135","0.0128","","","0.0315","0.0319","","","","","","1.048","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106741","39.063","0.017","9.791","0.004","16.102","0.007","90","","111.636","0.005","90","","5725","4","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(DIMes^Me)(AuMe)2","","","- C27 H34 Au2 N4 -","- C27 H34 Au2 N4 -","- C216 H272 Au16 N32 -","8","1","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0716","0.0394","","","0.0787","0.0901","","","","","","1.023","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106742","12.3331","0.0007","12.3331","0.0007","43.691","0.003","90","","90","","90","","6645.6","0.7","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","(DIMes^Me)(AuCl)2","","","- C25 H28 Au2 Cl2 N4 -","- C25 H28 Au2 Cl2 N4 -","- C200 H224 Au16 Cl16 N32 -","8","0.5","","Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste","Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes","Journal of the American Chemical Society","2011","133","","14293","14300","10.1021/ja2012627","","","0.71073","MoKα","","0.0659","0.0636","","","0.1901","0.1918","","","","","","1.662","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106743","13.825","0.003","16.323","0.003","27.335","0.006","76.22","0.03","82.55","0.03","65.9","0.03","5465","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C73.19 H148.26 Bi6 K4 N9.19 O24 Pd3 Sn8 -","- C73.19 H74.38 Bi6 K4 N9.19 O24 Pd3 Sn8 -","- C146.38 H148.76 Bi12 K8 N18.38 O48 Pd6 Sn16 -","2","1","","Felicitas Lips; Rodolphe Clérac; Stefanie Dehnen","[Pd3Sn8Bi6]4-: A 14-Vertex Sn/Bi Cluster Embedding a Pd3 Triangle","Journal of the American Chemical Society","2011","133","","14168","14171","10.1021/ja203302t","","","0.71073","MoKα","","0.1083","0.0772","","","0.1882","0.2058","","","","","","1.021","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106744","14.5066","0.0003","12.3458","0.0002","19.739","0.0003","90","","91.3446","0.0017","90","","3534.19","0.11","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 F6 N Ni P2 -","- C36 H55 F6 N Ni P2 -","- C144 H220 F24 N4 Ni4 P8 -","4","1","","Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood","Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes","Journal of the American Chemical Society","2011","133","","14338","14348","10.1021/ja203320y","","","0.7107","MoKα","","0.0569","0.0398","","","0.0831","0.0917","","","","","","1.038","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106745","13.6755","0.0013","18.4389","0.0017","17.6985","0.0016","90","","111.439","0.002","90","","4154.1","0.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 F6 N Ni P2 -","- C42 H67 F6 N Ni P2 -","- C168 H268 F24 N4 Ni4 P8 -","4","1","","Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood","Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes","Journal of the American Chemical Society","2011","133","","14338","14348","10.1021/ja203320y","","","0.71073","MoKα","","0.0599","0.0434","","","0.1053","0.1139","","","","","","1.036","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106746","13.9158","0.0012","16.9189","0.0014","9.782","0.0008","90","","90","","90","","2303.1","0.3","110","2","110","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C48 H74 F5 N Ni P2 -","- C48 H74 F5 N Ni P2 -","- C96 H148 F10 N2 Ni2 P4 -","2","0.5","","Torsten Beweries; Lee Brammer; Naseralla A. Jasim; John E. McGrady; Robin N. Perutz; Adrian C. Whitwood","Energetics of Halogen Bonding of Group 10 Metal Fluoride Complexes","Journal of the American Chemical Society","2011","133","","14338","14348","10.1021/ja203320y","","","0.71073","MoKα","","0.0447","0.0348","","","0.0777","0.0816","","","","","","1.016","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106747","11.2683","0.001","16.2407","0.0015","15.646","0.0013","90","","100.23","0.002","90","","2817.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br O -","- C15 H17 Br O -","- C120 H136 Br8 O8 -","8","2","","Jian-Ping Chen; Qian Peng; Bai-Lin Lei; Xue-Long Hou; Yun-Dong Wu","Chemo- and Regioselectivity-Tunable Pd-Catalyzed Allylic Alkylation of Imines","Journal of the American Chemical Society","2011","133","","14180","14183","10.1021/ja2039503","","","0.71073","MoKα","","0.1147","0.0531","","","0.1188","0.1341","","","","","","0.792","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106748","7.3578","0.0001","10.6646","0.0002","29.1647","0.0005","90","","90","","90","","2288.5","0.07","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 S -","- C25 H34 O4 S -","- C100 H136 O16 S4 -","4","1","","Jian-Ping Chen; Qian Peng; Bai-Lin Lei; Xue-Long Hou; Yun-Dong Wu","Chemo- and Regioselectivity-Tunable Pd-Catalyzed Allylic Alkylation of Imines","Journal of the American Chemical Society","2011","133","","14180","14183","10.1021/ja2039503","","","1.54178","CuKα","","0.0473","0.0452","","","0.1133","0.1156","","","","","","1.096","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106749","25.042","0.004","26.826","0.004","30.848","0.005","90","","90","","90","","20723","6","100","2","100","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C42 H22 Cu4 O24 -","- C42 H22 Cu4 O24 -","- C336 H176 Cu32 O192 -","8","0.25","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","0.40663","synchrotron","","0.0986","0.0762","","","0.2391","0.252","","","","","","1.001","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106750","18.508","0.005","18.508","0.005","31.112","0.009","90","","90","","90","","10657","5","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C60 H30 Cu4 O38 -","- C60 H30 Cu4 O38 -","- C240 H120 Cu16 O152 -","4","0.125","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","1.54178","CuKα","","0.1269","0.1039","","","0.2536","0.2683","","","","","","1.007","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106751","22.751","0.008","28.318","0.01","57.36","0.02","90","","90","","90","","36955","2","100","2","100","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C69 H45 Cu4 N9 O24 -","- C69 H45 Cu4 N9 O24 -","- C552 H360 Cu32 N72 O192 -","8","0.25","","Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi","The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks","Journal of the American Chemical Society","2011","133","","14204","14207","10.1021/ja205658j","","","0.40663","synchrotron","","0.1476","0.087","","","0.2059","0.2227","","","","","","1.015","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106752","15.8983","0.0019","11.2009","0.0013","10.8406","0.0013","90","","103.385","0.002","90","","1878","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","07074a","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0292","0.0277","","","0.0705","0.0715","","","","","","1.031","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106753","12.4116","0.0019","5.4173","0.0008","13.535","0.002","90","","112.088","0.002","90","","843.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","07134a","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0454","0.0348","","","0.0733","0.0772","","","","","","1.045","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106754","11.6952","0.001","5.5834","0.0005","11.8252","0.0011","90","","111.848","0.001","90","","716.71","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","07152a","","","- C16 H14 Br N O4 -","- C16 H14 Br N O4 -","- C32 H28 Br2 N2 O8 -","2","1","","Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory","Journal of the American Chemical Society","2011","133","","14443","14451","10.1021/ja205700p","","","0.71073","MoKα","","0.0257","0.0228","","","0.0538","0.0547","","","","","","1.007","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106755","11.7943","0.0001","12.0767","0.0001","22.5791","0.0003","90","","111.838","0.001","90","","2985.29","0.06","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C20 H20 B F6 N5 O5 Ru S -","- C20 H20 B F6 N5 O5 Ru S -","- C80 H80 B4 F24 N20 O20 Ru4 S4 -","4","1","","Brian L. Conley; Denver Guess; Travis J. Williams","A Robust, Air-Stable, Reusable Ruthenium Catalyst for Dehydrogenation of Ammonia Borane","Journal of the American Chemical Society","2011","133","","14212","14215","10.1021/ja2058154","","","0.71073","MoKα","","0.0431","0.0314","","","0.063","0.0657","","","","","","1.078","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106756","20.789","0.0006","11.761","0.0004","19.9035","0.0006","90","","90","","90","","4866.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H71 N3 O P Si6 U -","- C37 H71 N3 O P Si6 U -","- C148 H284 N12 O4 P4 Si24 U4 -","4","1","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0364","0.0262","","","0.0519","0.0552","","","","","","0.977","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106757","18.0985","0.0003","11.8238","0.0002","16.7024","0.0003","90","","115.924","0.001","90","","3214.54","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H53 N3 O Si6 U -","- C18 H53 N3 O Si6 U -","- C72 H212 N12 O4 Si24 U4 -","4","1","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0358","0.0227","","","0.0404","0.0431","","","","","","1","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106758","30.5707","0.0012","17.3732","0.0007","21.5107","0.0008","90","","95.226","0.003","90","","11377.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H124 N6 O2 Si14 U2 -","- C42 H124 N6 O2 Si14 U2 -","- C252 H744 N36 O12 Si84 U12 -","6","1.5","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0584","0.0327","","","0.0567","0.0638","","","","","","0.994","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106759","10.4612","0.0007","13.7234","0.0009","16.9659","0.0011","70.3977","0.0008","77.2013","0.0008","70.8102","0.0008","2150","0.2","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Er2 K N6 O12 Si8 -","- C60 H144 Er2 K N6 O12 Si8 -","- C60 H144 Er2 K N6 O12 Si8 -","1","0.5","","Jeffrey D. Rinehart; Ming Fang; William J. Evans; Jeffrey R. Long","A N23-Radical-Bridged Terbium Complex Exhibiting Magnetic Hysteresis at 14 K","Journal of the American Chemical Society","2011","133","","14236","14239","10.1021/ja206286h","","","0.71073","MoKα","","0.0393","0.0288","","","0.0588","0.0618","","","","","","1.022","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106760","10.2704","0.0004","13.9728","0.0006","15.1455","0.0006","83.3933","0.0005","74.0667","0.0005","72.9371","0.0005","1996.57","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H128 K N6 O10 Si8 Tb2 -","- C52 H128 K N6 O10 Si8 Tb2 -","- C52 H128 K N6 O10 Si8 Tb2 -","1","0.5","","Jeffrey D. Rinehart; Ming Fang; William J. Evans; Jeffrey R. Long","A N23-Radical-Bridged Terbium Complex Exhibiting Magnetic Hysteresis at 14 K","Journal of the American Chemical Society","2011","133","","14236","14239","10.1021/ja206286h","","","0.71073","MoKα","","0.0232","0.02","","","0.0493","0.0508","","","","","","1.037","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106761","10.4651","0.0007","13.7377","0.0009","16.978","0.0012","70.4515","0.0007","77.2633","0.0008","70.8475","0.0007","2156","0.3","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Ho2 K N6 O12 Si8 -","- C60 H144 Ho2 K N6 O12 Si8 -","- C60 H144 Ho2 K N6 O12 Si8 -","1","0.5","","Jeffrey D. Rinehart; Ming Fang; William J. Evans; Jeffrey R. Long","A N23-Radical-Bridged Terbium Complex Exhibiting Magnetic Hysteresis at 14 K","Journal of the American Chemical Society","2011","133","","14236","14239","10.1021/ja206286h","","","0.71073","MoKα","","0.0307","0.0239","","","0.0538","0.0564","","","","","","1.026","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106762","26.0073","0.0008","11.9479","0.0004","12.9923","0.0005","90","","92.082","0.001","90","","4034.5","0.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 -","- C31 H23 -","- C248 H184 -","8","1","","Takashi Kubo; Yoshiki Katada; Akihiro Shimizu; Yasukazu Hirao; Kazunobu Sato; Takeji Takui; Mikio Uruichi; Kyuya Yakushi; Robert C. Haddon","Synthesis, Crystal Structure, and Physical Properties of Sterically Unprotected Hydrocarbon Radicals","Journal of the American Chemical Society","2011","133","","14240","14243","10.1021/ja2065768","","","0.71075","MoKα","","0.056","0.0436","","","0.1228","0.1274","","","","","","1.079","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106763","10.133","0.004","14.885","0.006","18.339","0.008","97.96","0.007","98.905","0.008","101.953","0.007","2631.5","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(1SR,2SR,3SR,4RS)-4-bromo-2,4-dideoxy-5-O-(2,3-dinitrobenzoyl) -2-fluoro-1-C-phenyl-1,3-bis-O-[tris(trimethylsilyl)silyl]pentitol","","- C36 H70 Br F N2 O8 Si8 -","- C36 H70 Br F N2 O8 Si8 -","- C72 H140 Br2 F2 N4 O16 Si16 -","2","1","","Jakub Saadi; Matsujiro Akakura; Hisashi Yamamoto","Rapid, One-Pot Synthesis of β-Siloxy-α-haloaldehydes","Journal of the American Chemical Society","2011","133","","14248","14251","10.1021/ja2066169","","","0.71073","MoKα","","0.1266","0.0706","","","0.1594","0.1789","","","","","","0.894","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106764","14.888","0.006","7.522","0.003","24.077","0.009","90","","93.645","0.008","90","","2690.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,3SR,4RS)- 2,4-dichloro-2,4-dideoxy-1-O-(2,3-dinitrobenzoyl) -5-C-2-naphthyl-pentitol","","- C23 H19 Cl4.5 N2 O9 -","- C22.72 H18.72 Cl4.58 N2 O9 -","- C90.88 H74.88 Cl18.32 N8 O36 -","4","1","","Jakub Saadi; Matsujiro Akakura; Hisashi Yamamoto","Rapid, One-Pot Synthesis of β-Siloxy-α-haloaldehydes","Journal of the American Chemical Society","2011","133","","14248","14251","10.1021/ja2066169","","","0.71073","MoKα","","0.1748","0.0814","","","0.1873","0.2145","","","","","","0.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106765","9.4247","0.0002","10.6383","0.0002","11.3845","0.0002","110.181","0.001","111.185","0.001","100.274","0.001","937.17","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C42 H52 N4 O4 -","2","1","","Benjamin F. Strick; Devon A. Mundal; Regan J. Thomson","An Oxidative [2,3]-Sigmatropic Rearrangement of Allylic Hydrazides","Journal of the American Chemical Society","2011","133","","14252","14255","10.1021/ja2066219","","","1.54178","CuKα","","0.0397","0.0394","","","0.1037","0.1041","","","","","","1.058","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106766","18.4345","0.0007","5.0221","0.0002","42.0473","0.0016","90","","95.283","0.001","90","","3876.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C176 H256 N16 O16 -","8","1","","Yu Liu; Yu Wang; Yufeng Wang; Jie Lu; Victor Piñón; Marcus Weck","Shell Cross-Linked Micelle-Based Nanoreactors for the Substrate-Selective Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2011","133","","14260","14263","10.1021/ja206644d","","","0.71073","MoKα","","0.051","0.0415","","","0.0993","0.1046","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106767","8.5834","0.0005","24.881","0.002","19.4952","0.0015","90","","95.021","0.001","90","","4147.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 K N2 O8 W -","- C40 H53 K N2 O8 W -","- C160 H212 K4 N8 O32 W4 -","4","1","","John A. S. Roberts; James A. Franz; Edwin F. van der Eide; Eric D. Walter; Jeffrey L. Petersen; Daniel L. DuBois; R. Morris Bullock","Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand To Give the Isolable 17-Electron Tungsten Radical CpW(CO)2(IMes).","Journal of the American Chemical Society","2011","133","","14593","14603","10.1021/ja202754e","","","0.71073","MoKα","","0.043","0.034","","","0.0836","0.0928","","","","","","1.074","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106768","8.4766","0.0005","16.4875","0.0011","18.8928","0.0013","77.913","0.001","81.191","0.001","86.769","0.001","2550.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N2 O2 W -","- C28 H29 N2 O2 W -","- C112 H116 N8 O8 W4 -","4","2","","John A. S. Roberts; James A. Franz; Edwin F. van der Eide; Eric D. Walter; Jeffrey L. Petersen; Daniel L. DuBois; R. Morris Bullock","Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand To Give the Isolable 17-Electron Tungsten Radical CpW(CO)2(IMes).","Journal of the American Chemical Society","2011","133","","14593","14603","10.1021/ja202754e","","","0.71073","MoKα","","0.0401","0.0274","","","0.0633","0.0717","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106769","9.3124","0.0002","21.001","0.0005","68.1246","0.0015","90","","90","","90","","13323.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N O6 Si -","- C24 H41 N O6 Si -","- C480 H820 N20 O120 Si20 -","20","5","","Ian B. Seiple; Shun Su; Ian S. Young; Akifumi Nakamura; Junichiro Yamaguchi; Lars Jørgensen; Rodrigo A. Rodriguez; Daniel P. O'Malley; Tanja Gaich; Matthias Köck; Phil S. Baran","Enantioselective Total Syntheses of (-)-Palau'amine, (-)-Axinellamines, and (-)-Massadines","Journal of the American Chemical Society","2011","133","","14710","14726","10.1021/ja2047232","","","1.54178","CuKα","","0.0579","0.0515","","","0.13","0.1345","","","","","","1.034","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106770","8.9324","0.0002","13.3079","0.0002","13.4168","0.0003","96.8119","0.0007","99.4211","0.0008","90.0255","0.0009","1561.94","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H8 B Cl15 -","- C25 H8 B Cl15 -","- C50 H16 B2 Cl30 -","2","1","","Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare","Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)","Journal of the American Chemical Society","2011","133","","14727","14740","10.1021/ja205037t","","","0.71073","MoKα","","0.0547","0.0342","","0.0944","0.0748","0.0944","","","","","","0.9641","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106771","9.3745","0.0002","14.6816","0.0003","14.5635","0.0004","90","","90.3251","0.001","90","","2004.38","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 B Cl5 F10 -","- C18 B Cl5 F10 -","- C72 B4 Cl20 F40 -","4","1","","Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare","Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)","Journal of the American Chemical Society","2011","133","","14727","14740","10.1021/ja205037t","","","0.71073","MoKα","","0.0653","0.0415","","0.114","0.0934","0.114","","","","","","0.9445","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106772","9.6279","0.0001","11.0451","0.0002","12.3145","0.0003","69.503","0.0007","85.059","0.0007","70.2181","0.0011","1153.47","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C18 B Cl10 F5 -","- C18 B Cl10 F5 -","- C36 B2 Cl20 F10 -","2","1","","Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare","Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)","Journal of the American Chemical Society","2011","133","","14727","14740","10.1021/ja205037t","","","0.71073","MoKα","","0.0593","0.0407","","0.1251","0.1011","0.1251","","","","","","0.9498","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106773","11.164","0.002","9.4753","0.0018","23.56","0.005","90","","97.016","0.003","90","","2473.6","0.8","113","2","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","- C124 H108 N4 O16 -","2","0.5","","Mikihiro Hayashi; Fumiyuki Toshimitsu; Ryota Sakamoto; Hiroshi Nishihara","Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes","Journal of the American Chemical Society","2011","133","","14518","14521","10.1021/ja2054176","","x-ray","0.71073","MoKα","","","0.0541","","","","0.1339","","","","","","1.111","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106774","12.985","0.004","10.427","0.003","14.899","0.004","90","","109.883","0.003","90","","1897","0.9","113","2","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 N2 O8 -","- C48 H38 N2 O8 -","- C96 H76 N4 O16 -","2","0.5","","Mikihiro Hayashi; Fumiyuki Toshimitsu; Ryota Sakamoto; Hiroshi Nishihara","Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes","Journal of the American Chemical Society","2011","133","","14518","14521","10.1021/ja2054176","","x-ray","0.7107","MoKα","","","0.0814","","","","0.1811","","","","","","1.148","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106775","12.93","0.004","10.396","0.003","14.846","0.005","90","","109.689","0.003","90","","1878.9","1","113","2","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 N2 O8 -","- C48 H38 N2 O8 -","- C96 H76 N4 O16 -","2","0.5","","Mikihiro Hayashi; Fumiyuki Toshimitsu; Ryota Sakamoto; Hiroshi Nishihara","Double Lactonization in Triarylamine-Conjugated Dimethyl Diethynylfumarate: Formation of Intensely Colored and Luminescent Quadrupolar Molecules Including a Missing Structural Isomer of Pechmann Dyes","Journal of the American Chemical Society","2011","133","","14518","14521","10.1021/ja2054176","","x-ray","0.7107","MoKα","","","0.0862","","","","0.247","","","","","","1.106","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106776","25.5177","0.0009","25.5177","","6.9661","0.0004","90","","90","","120","","3928.3","0.3","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O6.96 -","- C4 H Fe O6.976 -","- C72 H18 Fe18 O125.568 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","0.98","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106777","26.0087","0.0013","26.0087","","6.8131","0.0007","90","","90","","120","","3991.3","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3.92 -","- C4 H Fe O3.92 -","- C72 H18 Fe18 O70.56 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","1.01","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106778","26.1627","0.0021","26.1627","","6.8422","0.0007","90","","90","","120","","4055.9","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3 -","- C4 H Fe O3 -","- C72 H18 Fe18 O54 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","1.02","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106779","6.5424","0.0014","14.242","0.003","17.525","0.003","90","","97.186","0.005","90","","1620.1","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H37 Cl2 N5 O4 -","- C34 H37 Cl2 N5 O4 -","- C68 H74 Cl4 N10 O8 -","2","1","","Chandra Kanta De; Daniel Seidel","Catalytic Enantioselective Desymmetrization ofmeso-Diamines: A Dual Small-Molecule Catalysis Approach","Journal of the American Chemical Society","2011","133","","14538","14541","10.1021/ja2060462","","","0.71073","MoKα","","0.0843","0.0572","","","0.1071","0.1152","","","","","","1.003","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106780","12.113","0.003","19.347","0.004","11.825","0.003","90","","95.49","0.03","90","","2758.5","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C32 H21 N2 O7 S2 -","- C32 H21 N2 O7 S2 -","- C128 H84 N8 O28 S8 -","4","1","","Jarkko T. Koivunen; Liisa Nissinen; Jarmo Käpylä; Johanna Jokinen; Marjo Pihlavisto; Anne Marjamäki; Jyrki Heino; Juhani Huuskonen; Olli T. Pentikäinen","Fluorescent Small Molecule Probe to Modulate and Explore α2β1 Integrin Function","Journal of the American Chemical Society","2011","133","","14558","14561","10.1021/ja206086c","","","1.54178","CuKα","","0.0675","0.047","","","0.1153","0.1266","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106781","10.312","0.002","31.026","0.006","8.404","0.0017","90","","95.68","0.03","90","","2675.6","0.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C32 H20 N2 O6 S2 -","- C32 H20 N2 O6 S2 -","- C128 H80 N8 O24 S8 -","4","1","","Jarkko T. Koivunen; Liisa Nissinen; Jarmo Käpylä; Johanna Jokinen; Marjo Pihlavisto; Anne Marjamäki; Jyrki Heino; Juhani Huuskonen; Olli T. Pentikäinen","Fluorescent Small Molecule Probe to Modulate and Explore α2β1 Integrin Function","Journal of the American Chemical Society","2011","133","","14558","14561","10.1021/ja206086c","","","0.71073","MoKα","","0.1045","0.0603","","","0.0984","0.1137","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106782","12.1975","0.0004","12.7938","0.0004","18.1555","0.0005","83.93","0.001","74.371","0.001","83.488","0.001","2702.47","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H55 B F20 Si5 Sn -","- C46 H55 B F20 Si5 Sn -","- C92 H110 B2 F40 Si10 Sn2 -","2","1","","Annemarie Schäfer; Wolfgang Saak; Detlev Haase; Thomas Müller","Persistent Dialkyl(silyl)stannylium Ions","Journal of the American Chemical Society","2011","133","","14562","14565","10.1021/ja206338u","","","0.71073","MoKα","","0.0429","0.0308","","","0.0739","0.0833","","","","","","1.067","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106783","15.8702","0.0004","21.1514","0.0005","18.8102","0.0005","90","","108.489","0.001","90","","5988.2","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H65 B F20 Si5 Sn -","- C52.5 H65 B F20 Si5 Sn -","- C210 H260 B4 F80 Si20 Sn4 -","4","1","","Annemarie Schäfer; Wolfgang Saak; Detlev Haase; Thomas Müller","Persistent Dialkyl(silyl)stannylium Ions","Journal of the American Chemical Society","2011","133","","14562","14565","10.1021/ja206338u","","","0.71073","MoKα","","0.0393","0.0275","","","0.0682","0.079","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106784","16.76313","0.00009","16.76313","","16.76313","","90","","90","","90","","4710.48","0.03","298","","","","","","","","","","","3","F d -3 :2","-F 2uv 2vw 3","203","","","","- D15 Ga5 Rb8 -","- D15 Ga5 Rb8 -","- D120 Ga40 Rb64 -","8","0.0833333","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","","","","","","","","","","","","","2.78","","","","","","","has coordinates,has Fobs","178813","2020-10-21","18:00:00",""
"4106785","6.02553","0.00009","6.02553","","6.02553","","90","","90","","90","","218.769","0.003","298","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- D Rb -","- D Rb -","- D4 Rb4 -","4","0.0208333","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","","","","","","","","","","","","","2.78","","","","","","","has coordinates,has Fobs","178813","2020-10-21","18:00:00",""
"4106786","7.4536","0.0004","4.4838","0.0002","9.5466","0.0004","90","","90","","90","","319.05","0.03","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D2 Ga Rb -","- D2 Ga Rb -","- D8 Ga4 Rb4 -","4","0.5","","Henrik Fahlquist; Dag Noréus; Samantha Callear; William I. F. David; Björn C. Hauback","Two New Cluster Ions, Ga[GaH3]45- with a Neopentane Structure in Rb8Ga5H15 and [GaH2]nn- with a Polyethylene Structure in Rbn(GaH2)n, Represent a New Class of Compounds with Direct Ga-Ga Bonds Mimicking Common Hydrocarbons","Journal of the American Chemical Society","2011","133","","14574","14577","10.1021/ja2067687","powder diffraction","neutron","1.5556","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7348","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4106787","11.4229","0.0004","11.4229","0.0004","14.1312","0.0005","90","","90","","120","","1596.84","0.1","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C25 H27 N3 S -","- C25 H27 N3 S -","- C75 H81 N9 S3 -","3","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0902","0.0898","","","0.1773","0.1776","","","","","","1.019","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106788","6.9456","0.0003","6.6693","0.0003","16.2697","0.0007","90","","95.464","0.002","90","","750.23","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","0.71073","MoKα","","0.0214","0.0195","","","0.0455","0.046","","","","","","1.083","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106789","29.9461","0.0007","5.0733","0.0001","15.3388","0.0004","90","","90.381","0.002","90","","2330.3","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 F6 N O2 -","- C21 H21 F6 N O2 -","- C84 H84 F24 N4 O8 -","4","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0355","0.0345","","","0.0932","0.0939","","","","","","1.093","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106790","7.2085","0.0001","7.8988","0.0001","13.8528","0.0002","90","","90","","90","","788.758","0.019","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0287","0.0285","","","0.0728","0.0731","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106791","10.7492","0.0005","11.2308","0.0006","20.7876","0.0011","93.048","0.003","103.754","0.003","100.868","0.003","2381.2","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H75 Co N3 O2 P3 Zr -","- C46 H75 Co N3 O2 P3 Zr -","- C92 H150 Co2 N6 O4 P6 Zr2 -","2","1","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.0681","0.0482","","0.1147","0.1063","0.1147","","","","","","1.0015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106792","12.6585","0.0003","19.2534","0.0005","25.0678","0.0005","90.043","0.001","92.524","0.001","91.204","0.001","6102.2","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H99 Co N3 Na O5 P3 Zr -","- C58 H99 Co N3 Na O5 P3 Zr -","- C232 H396 Co4 N12 Na4 O20 P12 Zr4 -","4","2","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.104","0.0489","","0.1221","0.1039","0.1221","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106793","14.37","0.0005","24.6113","0.0008","20.1119","0.0007","90","","90.003","0.002","90","","7112.9","0.4","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H115 Co N3 Na2 O9 P3 Zr -","- C67 H115 Co N3 Na2 O9 P3 Zr -","- C268 H460 Co4 N12 Na8 O36 P12 Zr4 -","4","1","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.0552","0.0427","","0.0911","0.0875","0.0911","","","","","","0.9597","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106794","18.5044","0.0009","12.2107","0.0006","24.3932","0.0013","90","","94.917","0.003","90","","5491.4","0.5","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H83 Co N3 O2 P3 Si Zr -","- C52 H83 Co N3 O2 P3 Si Zr -","- C208 H332 Co4 N12 O8 P12 Si4 Zr4 -","4","1","","Jeremy P. Krogman; Bruce M. Foxman; Christine M. Thomas","Activation of CO2 by a Heterobimetallic Zr/Co Complex","Journal of the American Chemical Society","2011","133","","14582","14585","10.1021/ja2071847","","","0.71073","MoKα","","0.0345","0.027","","0.0761","0.069","0.0761","","","","","","0.9985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106795","8.7268","0.001","18.294","0.002","20.348","0.002","90","","90","","90","","3248.5","0.6","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.05","0.0425","","","0.1203","0.1248","","","","","","1.044","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106796","8.8045","0.0006","18.2945","0.0013","20.364","0.0015","90","","90","","90","","3280.1","0.4","200","2","200","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.0636","0.0476","","","0.1273","0.1347","","","","","","1.011","","","","has coordinates,has disorder","178813","2020-10-21","18:00:00",""
"4106797","8.9939","0.0017","18.27","0.004","20.38","0.004","90","","90","","90","","3348.8","1.2","297","2","297","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H26 Cd I2 N8 -","- C40 H26 Cd I2 N8 -","- C80 H52 Cd2 I4 N16 -","2","0.25","","Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe","""Nanoscale Lattice Fence"" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response","Journal of the American Chemical Society","2011","133","","14848","14851","10.1021/ja2032822","","","0.71073","MoKα","","0.0622","0.0453","","","0.124","0.1305","","","","","","1.034","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106798","64.17","0.04","4.975","0.003","7.285","0.004","90","","94.782","0.007","90","","2318","2","100","2","100","2","","","101.3","","","","","4","C 1 2 1","C 2y","5","","18-(pentylamino)octadecan-7-ol","","- C23 H49 N O -","- C23 H48 N O -","- C92 H192 N4 O4 -","4","1","","V. Ajay Mallia; Paul D. Butler; Bijay Sarkar; K. Travis Holman; Richard G. Weiss","Reversible Phase Transitions within Self-Assembled Fibrillar Networks of (R)-18-(n-Alkylamino)octadecan-7-ols in Their Carbon Tetrachloride Gels","Journal of the American Chemical Society","2011","133","","15045","15054","10.1021/ja204371b","","x-ray","0.71073","MoKα","","0.1579","0.1203","","","0.356","0.3765","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106799","13.6619","0.0009","13.8526","0.001","18.2493","0.0012","67.742","0.001","82.738","0.001","81.48","0.002","3151.8","0.4","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H120 N16 O16 Ru4 -","- C134.43 H120 N16 O16 Ru4 -","- C134.43 H120 N16 O16 Ru4 -","1","0.5","","Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Modulation of Electronic Couplings within Ru2-Polyyne Frameworks","Journal of the American Chemical Society","2011","133","","15094","15104","10.1021/ja204813h","","","0.71073","MoKα","","0.1119","0.0592","","","0.1487","0.1684","","","","","","1.008","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106800","16.2323","0.0016","35.319","0.004","19.3815","0.0019","90","","95.983","0.002","90","","11051","2","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H108 N20 O6 Ru4 -","- C112.88 H72 N20 O5.22 Ru4 -","- C451.52 H288 N80 O20.88 Ru16 -","4","0.5","","Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Modulation of Electronic Couplings within Ru2-Polyyne Frameworks","Journal of the American Chemical Society","2011","133","","15094","15104","10.1021/ja204813h","","","0.71073","MoKα","","0.1024","0.0539","","","0.1453","0.172","","","","","","1.012","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106801","18.7179","0.0008","22.1686","0.0014","22.2364","0.0014","114.086","0.003","98.165","0.002","101.781","0.002","7979.7","0.8","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C151 H150 Co2 N16 O23 P2 Ru4 -","- C151 H150 Co2 N16 O23 P2 Ru4 -","- C302 H300 Co4 N32 O46 P4 Ru8 -","2","1","","Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","Modulation of Electronic Couplings within Ru2-Polyyne Frameworks","Journal of the American Chemical Society","2011","133","","15094","15104","10.1021/ja204813h","","","0.71073","MO-Kα","","0.093","0.069","","","0.124","0.131","","","","","","1.104","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106802","9.1762","0.0003","11.7369","0.0004","9.834","0.0003","90","","90","","90","","1059.12","0.06","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H9 La N O9 P3 -","- C3 H9 La N O9 P3 -","- C12 H36 La4 N4 O36 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","9.5848","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106803","9.766","0.0006","11.3438","0.0003","8.7307","0.0005","90","","90","","90","","967.22","0.09","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H7 La N O8 P3 -","- C3 H7 La N O8 P3 -","- C12 H28 La4 N4 O32 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","7.8962","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106804","8.7247","0.0005","11.3493","0.0003","9.7728","0.0006","90","","90","","90","","967.7","0.09","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3 H7 La N O8 P3 -","- C3 H7 La N O8 P3 -","- C12 H28 La4 N4 O32 P12 -","4","1","","Patrícia Silva; Fabiana Vieira; Ana C. Gomes; Duarte Ananias; José A. Fernandes; Sofia M. Bruno; Rosário Soares; Anabela A. Valente; João Rocha; Filipe A. Almeida Paz","Thermal Transformation of a Layered Multifunctional Network into a Metal-Organic Framework Based on a Polymeric Organic Linker","Journal of the American Chemical Society","2011","133","","15120","15138","10.1021/ja205243w","powder diffraction","","","X-ray","","","","","","","","","6.9277","","","","","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106805","24.9834","0.0013","24.9834","0.0013","24.9834","0.0013","90","","90","","90","","15593.9","1.4","90","2","90","2","","","","","","","","5","F 41 3 2","F 4d 2 3","210","","","","- C72 H90 N12 O13 Os2.5 -","- C72 H84 N12 O13.242 Os2.562 -","- C576 H672 N96 O105.936 Os20.496 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.6889","","","0.0752","0.0723","","","0.1779","0.1797","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106806","24.7706","0.0005","24.7706","0.0005","24.7706","0.0005","90","","90","","90","","15198.8","0.5","100","2","100","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4.5 N12 -","- C72 H84 I4.432 N12 -","- C576 H672 I35.456 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1012","0.098","","","0.2605","0.2628","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106807","24.9725","0.0012","24.9725","0.0012","24.9725","0.0012","90","","90","","90","","15573.5","1.3","298","2","298","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4.5 N12 -","- C72 H84 I4.544 N12 -","- C576 H672 I36.352 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.0789","0.0688","","","0.2027","0.2136","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106808","24.9673","0.0018","24.9673","0.0018","24.9673","0.0018","90","","90","","90","","15563.8","1.9","318","2","318","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4.5 N12 -","- C72 H84 I4.46 N12 -","- C576 H672 I35.68 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.0956","0.0682","","","0.1932","0.2179","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106809","24.992","0.003","24.992","0.003","24.992","0.003","90","","90","","90","","15610","3","338","2","338","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I4 N12 -","- C72 H84 I4.088 N12 -","- C576 H672 I32.704 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.0971","0.0691","","","0.1994","0.2226","","","","","","1.115","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106810","24.898","0.003","24.898","0.003","24.898","0.003","90","","90","","90","","15435","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I2 N12 -","- C72 H84 I2.146 N12 -","- C576 H672 I17.168 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1362","0.0877","","","0.24","0.2649","","","","","","1.247","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106811","24.893","0.003","24.893","0.003","24.893","0.003","90","","90","","90","","15425","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I1.5 N12 -","- C72 H84 I1.4296 N12 -","- C576 H672 I11.4368 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1386","0.0889","","","0.2229","0.25","","","","","","1.211","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106812","24.89","0.003","24.89","0.003","24.89","0.003","90","","90","","90","","15420","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I1.2 N12 -","- C72 H84 I1.2092 N12 -","- C576 H672 I9.6736 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1486","0.0943","","","0.224","0.2474","","","","","","1.324","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106813","24.933","0.003","24.933","0.003","24.933","0.003","90","","90","","90","","15500","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I N12 -","- C72 H84 I1.0088 N12 -","- C576 H672 I8.0704 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1479","0.1046","","","0.2549","0.2733","","","","","","1.621","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106814","24.876","0.005","24.876","0.005","24.876","0.005","90","","90","","90","","15394","5","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I0.9 N12 -","- C72 H84 I0.914 N12 -","- C576 H672 I7.312 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.17","0.1153","","","0.278","0.2978","","","","","","1.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106815","24.914","0.003","24.914","0.003","24.914","0.003","90","","90","","90","","15464","3","358","2","358","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H84 I3 N12 -","- C72 H84 I3.038 N12 -","- C576 H672 I24.304 N96 -","8","0.0833333","","Tom Hasell; Marc Schmidtmann; Andrew I. Cooper","Molecular Doping of Porous Organic Cages","Journal of the American Chemical Society","2011","133","","14920","14923","10.1021/ja205969q","","","0.7749","","","0.1182","0.0818","","","0.2251","0.2515","","","","","","1.148","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106816","16.0358","0.0008","8.2776","0.0005","15.5407","0.0009","90","","107.358","0.003","90","","1968.9","0.19","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O3 Si -","- C20 H27 N O3 Si -","- C80 H108 N4 O12 Si4 -","4","1","","Erik M. Stang; M. Christina White","Molecular Complexity via C-H Activation: A Dehydrogenative Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","14892","14895","10.1021/ja2059704","","","0.71073","MoKα","","0.0527","0.0387","","","0.0951","0.1031","","","","","","1.032","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106817","7.7991","0.0006","12.1515","0.001","21.4998","0.0016","76.317","0.004","89.53","0.005","72.349","0.004","1882.1","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","2","","Erik M. Stang; M. Christina White","Molecular Complexity via C-H Activation: A Dehydrogenative Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","14892","14895","10.1021/ja2059704","","","0.71073","MoKα","","0.0814","0.044","","","0.0915","0.1059","","","","","","1.013","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106818","10.4545","0.0008","13.0186","0.001","15.239","0.0013","88.953","0.005","75.935","0.005","86.647","0.005","2008.4","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C88 H116 N4 O20 -","4","2","","Erik M. Stang; M. Christina White","Molecular Complexity via C-H Activation: A Dehydrogenative Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","14892","14895","10.1021/ja2059704","","","0.71073","MoKα","","0.1097","0.0505","","","0.0968","0.1165","","","","","","1.01","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106819","11.9158","0.0009","12.1881","0.0009","14.9957","0.001","87.464","0.003","83.542","0.003","69.604","0.002","2028.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 Ni O4 P -","- C48 H57 Ni O4 P -","- C96 H114 Ni2 O8 P2 -","2","1","","Masato Ohashi; Tomoaki Taniguchi; Sensuke Ogoshi","Nickel-Catalyzed Formation of Cyclopentenone Derivatives via the Unique Cycloaddition of α,β-Unsaturated Phenyl Esters with Alkynes","Journal of the American Chemical Society","2011","133","","14900","14903","10.1021/ja2059999","","","0.71075","MoKα","","0.1309","0.0716","","","0.1521","0.2415","","","","","","1.185","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106820","13.9259","0.0012","18.0957","0.0014","18.4593","0.0017","90","","90.15","0.003","90","","4651.7","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 Ni O2 P2 -","- C51 H78 Ni O2 P2 -","- C204 H312 Ni4 O8 P8 -","4","1","","Masato Ohashi; Tomoaki Taniguchi; Sensuke Ogoshi","Nickel-Catalyzed Formation of Cyclopentenone Derivatives via the Unique Cycloaddition of α,β-Unsaturated Phenyl Esters with Alkynes","Journal of the American Chemical Society","2011","133","","14900","14903","10.1021/ja2059999","","","0.71075","MoKα","","0.084","0.061","","","0.1309","0.1438","","","","","","1.032","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106821","15.246","0.005","18.113","0.006","15.847","0.005","90","","98.388","0.007","90","","4329","2","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tlg-1-178","","","- C48 H60 N3 Nb O -","- C48 H60 N3 Nb O -","- C192 H240 N12 Nb4 O4 -","4","1","","Thomas L. Gianetti; Neil C. Tomson; John Arnold; Robert G. Bergman","Z-Selective, Catalytic Internal Alkyne Semihydrogenation under H2/CO Mixtures by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2011","133","","14904","14907","10.1021/ja206016s","","","0.71073","MoKα","","0.0598","0.0385","","","0.0748","0.0837","","","","","","1.047","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106822","12.702","0.003","17.67","0.004","20.776","0.005","90","","100.094","0.003","90","","4590.9","1.9","154","2","154","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tlgxr20","","","- C47 H67 N4 Nb -","- C47 H67 N4 Nb -","- C188 H268 N16 Nb4 -","4","1","","Thomas L. Gianetti; Neil C. Tomson; John Arnold; Robert G. Bergman","Z-Selective, Catalytic Internal Alkyne Semihydrogenation under H2/CO Mixtures by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2011","133","","14904","14907","10.1021/ja206016s","","","0.71073","MoKα","","0.0449","0.0319","","","0.076","0.0839","","","","","","1.062","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106823","17.4255","0.0007","23.6328","0.001","21.2105","0.0009","90","","98.0275","0.0012","90","","8649.2","0.6","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H41 B2 F8 N4.5 O Pd2 -","- C49.5 H35 B2 F8 N4.5 O Pd2 -","- C396 H280 B16 F64 N36 O8 Pd16 -","8","2","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0496","","","","0.0571","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106824","9.643","0.003","11.957","0.004","13.585","0.004","63.325","0.006","81.36","0.006","69.636","0.005","1312.1","0.7","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 B2 F8 N2 Pd2 -","- C24 H19 B2 F8 N2 Pd2 -","- C48 H38 B4 F16 N4 Pd4 -","2","1","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0533","","","","0.0613","","","","","","0.96","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106825","10.2184","0.0007","13.8764","0.001","25.8461","0.0018","89.2379","0.0018","81.8766","0.0019","78.169","0.0019","3550.5","0.4","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H32.5 B2 F8 N4.5 O Pd2 -","- C32.5 H28.5 B2 F8 N4.5 O Pd2 -","- C130 H114 B8 F32 N18 O4 Pd8 -","4","2","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0599","","","","0.0704","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106826","13.4428","0.0005","24.2164","0.0009","10.8013","0.0005","90","","101.052","0.001","90","","3451","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H30 B2 F8 N4 Pd2 -","- C33.5 H26 B2 F8 N4 Pd2 -","- C134 H104 B8 F32 N16 Pd8 -","4","1","","Tetsuro Murahashi; Kohei Takase; Masa-aki Oka; Sensuke Ogoshi","Oxidative Dinuclear Addition of a PdI-PdI Moiety to Arenes: Generation of μ-η3:η3-Arene-PdII2 Species","Journal of the American Chemical Society","2011","133","","14908","14911","10.1021/ja206076u","","","0.71075","MoKα","","","0.0455","","","","0.0607","","","","","","1.362","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106827","6.8494","0.0003","17.1089","0.0007","10.04","0.0004","90","","90.747","0.002","90","","1176.44","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 N2 O6 S -","- C11 H12 N2 O6 S -","- C44 H48 N8 O24 S4 -","4","2","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0312","0.0301","","","0.0773","0.0781","","","","","","1.047","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106828","4.9662","0.0003","17.4493","0.0009","17.4476","0.0012","90","","97.765","0.005","90","","1498.09","0.16","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","2","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54184","CuKα","","0.0511","0.0433","","","0.1045","0.1096","","","","","","1.028","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106829","6.9963","0.0005","10.6835","0.0007","16.5458","0.001","90","","90","","90","","1236.72","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O6 S -","- C11 H15 N3 O6 S -","- C44 H60 N12 O24 S4 -","4","1","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0307","0.0295","","","0.0784","0.0798","","","","","","1.048","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106830","4.698","0.0002","11.4175","0.0004","22.0983","0.0008","90","","90","","90","","1185.34","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0313","0.0289","","","0.0731","0.0751","","","","","","1.036","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106831","6.9547","0.0003","14.3426","0.0006","16.3824","0.0007","90","","90","","90","","1634.12","0.12","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O -","- C19 H18 I N O -","- C76 H72 I4 N4 O4 -","4","1","","Stephen G. Newman; Jennifer K. Howell; Norman Nicolaus; Mark Lautens","Palladium-Catalyzed Carbohalogenation: Bromide to Iodide Exchange and Domino Processes","Journal of the American Chemical Society","2011","133","","14916","14919","10.1021/ja206099t","","","0.71073","MoKα","","0.0698","0.0466","","","0.1029","0.1174","","","","","","1.059","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106832","20.0654","0.0002","9.1914","0.0003","12.3656","0.0006","90","","100.57","0.0018","90","","2241.88","0.13","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl I N O5 -","- C22 H22 Cl I N O5 -","- C88 H88 Cl4 I4 N4 O20 -","4","1","","Stephen G. Newman; Jennifer K. Howell; Norman Nicolaus; Mark Lautens","Palladium-Catalyzed Carbohalogenation: Bromide to Iodide Exchange and Domino Processes","Journal of the American Chemical Society","2011","133","","14916","14919","10.1021/ja206099t","","","0.71073","MoKα","","0.0852","0.0434","","","0.1019","0.1255","","","","","","1.025","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106833","12.5278","0.001","12.5278","0.001","12.6511","0.0007","90","","90","","90","","1985.5","0.2","293","2","293","2","","","","","","","synthesis as described","6","P 4 n c","P 4 -2n","104","","","","- C24 H28 Bi2 Cl4 I6 N4 -","- C24 H28 Bi2 Cl4 I6 N4 -","- C48 H56 Bi4 Cl8 I12 N8 -","2","0.25","","Nicolas Leblanc; Nicolas Mercier; Leokadiya Zorina; Sergey Simonov; Pascale Auban-Senzier; Claude Pasquier","Large Spontaneous Polarization and Clear Hysteresis Loop of a Room-Temperature Hybrid Ferroelectric Based on Mixed-Halide [BiI3Cl2] Polar Chains and Methylviologen Dication","Journal of the American Chemical Society","2011","133","","14924","14927","10.1021/ja206171s","","x-ray","0.71073","MoKα","","0.0789","0.0348","","","0.0731","0.084","","","","","","1.029","","","","has coordinates","264242","2021-04-16","08:51:47",""
"4106834","9.6483","0.0005","11.9539","0.0006","8.5468","0.0004","90","","101.684","0.003","90","","965.32","0.08","273","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H24 Cl5 N3 O -","- C13 H24 Cl5 N3 O -","- C26 H48 Cl10 N6 O2 -","2","1","","Guang-Peng Wu; Sheng-Hsuan Wei; Wei-Min Ren; Xiao-Bing Lu; Tie-Qi Xu; Donald J. Darensbourg","Perfectly Alternating Copolymerization of CO2 and Epichlorohydrin Using Cobalt(III)-Based Catalyst Systems","Journal of the American Chemical Society","2011","133","","15191","15199","10.1021/ja206425j","","","0.71073","MoKα","","0.0393","0.0381","","","0.0988","0.1002","","","","","","1.037","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106835","5.9712","0.0003","11.235","0.0005","16.7877","0.0008","102.99","0.003","98.34","0.003","90.483","0.003","1084.82","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H28 Cl4 Co0.5 N3 O6 -","- C13 H22 Cl4 Co0.5 N3 O6 -","- C26 H44 Cl8 Co N6 O12 -","2","1","","Guang-Peng Wu; Sheng-Hsuan Wei; Wei-Min Ren; Xiao-Bing Lu; Tie-Qi Xu; Donald J. Darensbourg","Perfectly Alternating Copolymerization of CO2 and Epichlorohydrin Using Cobalt(III)-Based Catalyst Systems","Journal of the American Chemical Society","2011","133","","15191","15199","10.1021/ja206425j","","","0.71073","MoKα","","0.1527","0.1273","","","0.4067","0.4448","","","","","","1.818","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106836","7.8868","0.0004","7.8868","0.0004","5.2243","0.0003","90","","90","","90","","324.96","0.03","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca1.023 Ga3 Nd0.977 O7 -","- Ca1.05 Ga3 Nd0.95 O7 -","- Ca2.1 Ga6 Nd1.9 O14 -","2","0.25","","Fengxia Wei; Tom Baikie; Tao An; Martin Schreyer; Christian Kloc; T. J. White","Five-Dimensional Incommensurate Structure of the Melilite Electrolyte [CaNd]2[Ga]2[Ga2O7]2","Journal of the American Chemical Society","2011","133","","15200","15211","10.1021/ja206441x","","","0.71073","MoKα","","0.0299","0.0297","","","0.0425","0.0425","","","","2.54","2.54","2.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106837","10.2241","0.0003","7.8813","0.0003","18.7697","0.0006","90","","91.532","0.001","90","","1511.91","0.09","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl2 N O3 S -","- C14 H12 Cl2 N O3 S -","- C56 H48 Cl8 N4 O12 S4 -","4","2","","Lennart Lykke; Carles Rodríguez-Escrich; Karl Anker Jørgensen","Catalytic Enantioselective Oxaziridination","Journal of the American Chemical Society","2011","133","","14932","14935","10.1021/ja2064457","","x-ray","0.71073","MoKα","","0.0555","0.041","","","0.0898","0.1044","","","","","","1.047","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106838","11.9335","0.0003","11.9335","0.0003","36.635","0.0009","90","","90","","120","","4518.2","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C32 H34 N2 O7 S -","- C32 H34 N2 O7 S -","- C192 H204 N12 O42 S6 -","6","1","","Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre","Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes","Journal of the American Chemical Society","2011","133","","15212","15218","10.1021/ja206517s","","","0.71073","MoKα","","0.0418","0.0388","","","0.1024","0.1044","","","","","","1.037","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106839","15.6585","0.0007","29.8504","0.0013","35.6816","0.0017","90","","90","","90","","16678","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H43 Br2 Cl N2 O7 -","- C46.5 H43 Br2 Cl N2 O7 -","- C744 H688 Br32 Cl16 N32 O112 -","16","4","","Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre","Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes","Journal of the American Chemical Society","2011","133","","15212","15218","10.1021/ja206517s","","","0.71073","MoKα","","0.1181","0.0839","","","0.1939","0.2113","","","","","","1.06","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106840","17.3171","0.001","8.9956","0.0007","12.4459","0.0008","90","","110.09","0.001","90","","1820.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.0923","0.0455","","","0.1189","0.1684","","","","","","1.153","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106841","8.7244","0.0017","13.188","0.003","15.006","0.003","90","","90","","90","","1726.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.1046","0.0362","","","0.0556","0.0651","","","","","","0.507","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106842","20.741","0.004","6.7355","0.0013","26.237","0.005","90","","101.57","0.03","90","","3590.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N O -","- C22 H27 N O -","- C176 H216 N8 O8 -","8","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.156","0.0482","","","0.0936","0.0993","","","","","","1","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106843","7.3622","0.0002","7.3622","0.0002","8.4885","0.0003","90","","90","","120","","398.45","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.02 Mn N O6 -","- C6 H14.04 Mn2 N2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0222","0.0202","","","0.0508","0.0512","","","","","","1.132","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106844","12.6685","0.0003","12.6685","0.0003","8.5374","0.0002","90","","90","","120","","1186.61","0.05","110","2","110","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Mn N O6 -","- C3 H7 Mn N O6 -","- C18 H42 Mn6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0544","0.0317","","","0.0806","0.0867","","","","","","0.979","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106845","7.3236","0.0002","7.3236","0.0002","8.318","0.0004","90","","90","","120","","386.37","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.02 Fe N O6 -","- C6 H14.04 Fe2 N2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0376","0.0232","","","0.0501","0.053","","","","","","1.088","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106846","12.6167","0.0003","12.6167","0.0003","8.3647","0.0002","90","","90","","120","","1153.11","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Fe N O6 -","- C3 H7 Fe N O6 -","- C18 H42 Fe6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0444","0.0287","","","0.0799","0.0852","","","","","","1.022","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106847","7.3058","0.0002","7.3058","0.0002","8.1897","0.0004","90","","90","","120","","378.56","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Co N O6 -","- C3 H7.02 Co N O6 -","- C6 H14.04 Co2 N2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0265","0.0208","","","0.0464","0.0474","","","","","","1.092","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106848","12.5871","0.0003","12.5871","0.0003","8.2237","0.0002","90","","90","","120","","1128.36","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Co N O6 -","- C3 H7 Co N O6 -","- C18 H42 Co6 N6 O36 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0624","0.0297","","","0.0768","0.086","","","","","","0.941","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106849","7.2861","0.0013","7.2861","0.0013","8.0207","0.0016","90","","90","","120","","368.75","0.12","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.02 N Ni O6 -","- C6 H14.04 N2 Ni2 O12 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.018","0.0168","","","0.0418","0.0421","","","","","","1.172","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106850","7.3084","0.0002","7.3084","0.0002","8.1705","0.0003","90","","90","","120","","377.94","0.02","290","2","290","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7.02 N O6 Zn -","- C6 H14.04 N2 O12 Zn2 -","2","0.166667","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.022","0.0191","","","0.0444","0.0453","","","","","","1.08","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106851","12.5919","0.0003","12.5919","0.0003","8.2015","0.0002","90","","90","","120","","1126.18","0.05","110","","110","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao","Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]","Journal of the American Chemical Society","2011","133","","14948","14951","10.1021/ja206891q","","","0.71073","MoKα","","0.0729","0.0306","","","0.076","0.0855","","","","","","0.907","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106852","13.0299","0.0013","18.2188","0.0018","12.7153","0.0011","90","","90","","90","","3018.5","0.5","123","","123","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C31.5 H34 Cl2 N2 O3 Ru S -","- C31.5 H34 Cl2 N2 O3 Ru S -","- C126 H136 Cl8 N8 O12 Ru4 S4 -","4","1","","Taichiro Touge; Tomohiko Hakamata; Hideki Nara; Tohru Kobayashi; Noboru Sayo; Takao Saito; Yoshihito Kayaki; Takao Ikariya","Oxo-Tethered Ruthenium(II) Complex as a Bifunctional Catalyst for Asymmetric Transfer Hydrogenation and H2 Hydrogenation","Journal of the American Chemical Society","2011","133","","14960","14963","10.1021/ja207283t","","","0.71075","MoKα","","","0.0274","","","","0.0738","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106853","12.582","0.003","17.311","0.004","13.987","0.003","90","","99.586","0.003","90","","3003.9","1.2","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl N2 O2.5 Ru S -","- C32 H35 Cl N2 O2.5 Ru S -","- C128 H140 Cl4 N8 O10 Ru4 S4 -","4","2","","Taichiro Touge; Tomohiko Hakamata; Hideki Nara; Tohru Kobayashi; Noboru Sayo; Takao Saito; Yoshihito Kayaki; Takao Ikariya","Oxo-Tethered Ruthenium(II) Complex as a Bifunctional Catalyst for Asymmetric Transfer Hydrogenation and H2 Hydrogenation","Journal of the American Chemical Society","2011","133","","14960","14963","10.1021/ja207283t","","","0.71075","MoKα","","","0.0411","","","","0.1038","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106854","8.3489","0.0004","7.3054","0.0003","9.9944","0.0005","90","","105.627","0.003","90","","587.05","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C26 H44 O6 -","2","1","","Jacob Y. Cha; John T. S. Yeoman; Sarah E. Reisman","A Concise Total Synthesis of (-)-Maoecrystal Z","Journal of the American Chemical Society","2011","133","","14964","14967","10.1021/ja2073356","","","0.71073","MoKα","","0.0512","0.0408","","","0.0498","0.0504","","","","","","1.709","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106855","8.6244","0.0006","16.3829","0.0011","12.3896","0.0008","90","","110.075","0.001","90","","1644.2","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50.83 O7.415 Si -","- C32 H50.83 O7.415 Si -","- C64 H101.66 O14.83 Si2 -","2","1","","Kai Liu; Hiyun Kim; Partha Ghosh; Novruz G. Akhmedov; Lawrence J. Williams","Direct Entry to Erythronolides via a Cyclic Bis[Allene]","Journal of the American Chemical Society","2011","133","","14968","14971","10.1021/ja207496p","","","0.71073","MoKα","","0.0638","0.0563","","","0.134","0.1392","","","","","","1.011","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106856","13.319","0.003","16.01","0.002","15.468","0.002","90","","99.281","0.007","90","","3255.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H55 N7 O2 Zr -","- C28 H55 N7 O2 Zr -","- C112 H220 N28 O8 Zr4 -","4","1","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71073","MoKα","","0.0734","0.0483","","","0.1008","0.1122","","","","","","1.018","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106857","12.3906","0.0012","12.5842","0.0013","13.3974","0.0014","63.414","0.004","67.651","0.004","65.864","0.004","1654.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 N12 O4 Zr2 -","- C64 H104 N12 O4 Zr2 -","- C64 H104 N12 O4 Zr2 -","1","0.5","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71073","MoKα","","0.0278","0.0246","","","0.0649","0.0679","","","","","","1.086","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106858","13.151","0.005","15.598","0.005","13.856","0.005","90","0.005","95.011","0.005","90","0.005","2831.4","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H50 N6 O2 Zr -","- C23 H50 N6 O2 Zr -","- C92 H200 N24 O8 Zr4 -","4","1","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71069","MoKα","","0.0302","0.0228","","","0.0662","0.0803","","","","","","1.213","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106859","11.0282","0.0009","11.7606","0.0009","12.5485","0.0011","73.031","0.003","84.601","0.004","75.168","0.003","1504.5","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H51 Cl N6 O2 Zr -","- C23 H51 Cl N6 O2 Zr -","- C46 H102 Cl2 N12 O4 Zr2 -","2","1","","David C. Leitch; Rachel H. Platel; Laurel L. Schafer","Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium","Journal of the American Chemical Society","2011","133","","15453","15463","10.1021/ja202448b","","","0.71073","MoKα","","0.0384","0.0317","","","0.0794","0.0825","","","","","","1.064","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106860","16.328","0.003","16.328","0.003","10.2112","0.0016","90","","90","","120","","2357.6","0.7","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C35 H42 N2 O5 -","- C34 H38 N2 O4 -","- C102 H114 N6 O12 -","3","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0325","0.0314","","","0.0771","0.0776","","","","","","1.108","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106861","7.4496","0.0002","7.5774","0.0002","25.0094","0.0005","90","","90","","90","","1411.75","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0267","0.0263","","","0.0718","0.0722","","","","","","0.984","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106862","9.3769","0.0003","13.6383","0.0004","17.3326","0.0005","90","","100.121","0.002","90","","2182.09","0.11","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H57 N3 O6 -","- C51 H57 N3 O6 -","- C102 H114 N6 O12 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0773","0.0761","","","0.1938","0.1952","","","","","","1.044","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106863","9.5687","0.0004","21.5564","0.0008","13.1776","0.0006","90","","90.693","0.003","90","","2717.9","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H64 N4 O6 -","- C62 H64 N4 O6 -","- C124 H128 N8 O12 -","2","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.1237","0.0902","","","0.209","0.2307","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106864","9.6953","0.0014","10.3729","0.0015","30.136","0.004","90","","92.124","0.003","90","","3028.6","0.7","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H35 N O4 S -","- C36 H35 N O4 S -","- C144 H140 N4 O16 S4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.1309","0.1184","","","0.306","0.3153","","","","","","1.118","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106865","15.2125","0.0011","10.3075","0.0007","16.0267","0.0011","90","","112.207","0.003","90","","2326.6","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O2 S -","- C26 H31 N O2 S -","- C104 H124 N4 O8 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0544","0.0416","","","0.1102","0.1244","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106866","12.0461","0.001","14.2879","0.0015","33.757","0.003","90","","90","","90","","5810","0.9","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O4 S -","- C33 H37 N O4 S -","- C264 H296 N8 O32 S8 -","8","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0902","0.0547","","","0.114","0.1414","","","","","","1.008","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106867","9.5737","0.0003","12.7735","0.0004","16.7885","0.0005","90","","90.134","0.001","90","","2053.05","0.11","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N O3 S -","- C22 H27 N O3 S -","- C88 H108 N4 O12 S4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0482","0.0409","","","0.1012","0.1142","","","","","","1.095","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106868","8.727","0.0004","12.2836","0.0005","31.8909","0.0015","90","","90","","90","","3418.7","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H41 N O4 S -","- C39 H41 N O4 S -","- C156 H164 N4 O16 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0453","0.0399","","","0.0948","0.098","","","","","","1.037","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106869","9.2006","0.0006","17.7065","0.001","9.6157","0.0006","90","","99.191","0.004","90","","1546.39","0.17","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N O4 S -","- C34 H40 N O4 S -","- C68 H80 N2 O8 S2 -","2","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.072","0.0504","","","0.1101","0.1332","","","","","","1.056","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106870","14.5105","0.001","11.6735","0.0007","21.0625","0.0013","90","","115.684","0.004","90","","3215.2","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O4 S2 -","- C37 H39 N O4 S2 -","- C148 H156 N4 O16 S8 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0579","0.0411","","","0.1094","0.1246","","","","","","1.054","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106871","8.2758","0.0007","14.3175","0.0013","19.5838","0.0018","90","","90","","90","","2320.5","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O2 S -","- C26 H33 N O2 S -","- C104 H132 N4 O8 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.032","0.0288","","","0.0783","0.0867","","","","","","1.168","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106872","22.6739","0.0018","11.2846","0.0009","15.9956","0.0012","90","","91.738","0.003","90","","4090.8","0.6","103","2","103","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C35 H48 Au Cl2 F6 N4 Sb -","- C35 H48 Au Cl2 F6 N4 Sb -","- C140 H192 Au4 Cl8 F24 N16 Sb4 -","4","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0805","0.0641","","","0.1606","0.1745","","","","","","1.051","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106873","9.1954","0.0003","11.0169","0.0004","31.9995","0.0014","90","","90","","90","","3241.7","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N O4 S -","- C38 H39 N O4 S -","- C152 H156 N4 O16 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0866","0.0589","","","0.1215","0.1375","","","","","","1.033","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106874","5.2114","0.001","18.831","0.004","19.186","0.004","90","","90","","90","","1882.8","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Wei Li; Xiaohua Liu; Xiaoyu Hao; Xiaolei Hu; Yangyang Chu; Weidi Cao; Song Qin; Changwei Hu; Lili Lin; Xiaoming Feng","New Electrophilic Addition of α-Diazoesters with Ketones for Enantioselective C-N Bond Formation","Journal of the American Chemical Society","2011","133","","15268","15271","10.1021/ja2056159","","","1.54178","CuKα","","0.0338","0.031","","","0.0723","0.077","","","","","","1.086","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106875","19.671","0.0014","8.748","0.0007","15.9812","0.0011","90","","90","","90","","2750.1","0.4","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H40 N O P Pd -","- C30 H40 N O P Pd -","- C120 H160 N4 O4 P4 Pd4 -","4","1","","Patrick S. Hanley; John F. Hartwig","Intermolecular Migratory Insertion of Unactivated Olefins into Palladium-Nitrogen Bonds. Steric and Electronic Effects on the Rate of Migratory Insertion","Journal of the American Chemical Society","2011","133","","15661","15673","10.1021/ja205722f","","","0.71073","MoKα","","0.0639","0.0387","","","0.0699","0.0773","","","","","","1.009","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106876","21.2843","0.0015","9.3814","0.0007","20.7994","0.0014","90","","94.453","0.003","90","","4140.6","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H59 N O P2 Pd2 -","- C42 H59 N O P2 Pd2 -","- C168 H236 N4 O4 P8 Pd8 -","4","1","","Patrick S. Hanley; John F. Hartwig","Intermolecular Migratory Insertion of Unactivated Olefins into Palladium-Nitrogen Bonds. Steric and Electronic Effects on the Rate of Migratory Insertion","Journal of the American Chemical Society","2011","133","","15661","15673","10.1021/ja205722f","","","0.71073","MoKα","","0.0613","0.0369","","","0.0723","0.0802","","","","","","1.026","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106877","6.0206","0.0001","15.7711","0.0004","21.0506","0.0004","90","","90","","90","","1998.79","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C88 H72 N8 O32 -","8","2","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0407","0.0379","","","0.0914","0.0931","","","","","","1.084","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106878","5.8667","0.0002","8.8242","0.0002","21.4253","0.0005","90","","90","","90","","1109.16","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0336","0.0328","","","0.0886","0.0892","","","","","","1.026","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106879","7.5048","0.0002","5.1061","0.0002","12.4279","0.0004","90","","101.03","0.002","90","","467.44","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O -","- C11 H13 N O -","- C22 H26 N2 O2 -","2","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0299","0.0296","","","0.0757","0.076","","","","","","1.073","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106880","5.7269","0.0003","8.3487","0.0005","35.6555","0.0017","90","","90","","90","","1704.77","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0525","0.0453","","","0.1052","0.1086","","","","","","1.089","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106881","10.096","0.0003","21.715","0.0009","21.009","0.0009","90","","110.49","0.002","90","","4314.5","0.3","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","BINCF3","","","- C42 H29 Cl3 F6 O5 P2 Rh2 -","- C42 H29 Cl3 F6 O5 P2 Rh2 -","- C168 H116 Cl12 F24 O20 P8 Rh8 -","4","1","","María E. Moragues; Julio Esteban; José Vicente Ros-Lis; Ramón Martínez-Máñez; M. Dolores Marcos; Manuel Martínez; Juan Soto; Félix Sancenón","Sensitive and Selective Chromogenic Sensing of Carbon Monoxide via Reversible Axial CO Coordination in Binuclear Rhodium Complexes","Journal of the American Chemical Society","2011","133","","15762","15772","10.1021/ja206251r","","","0.71073","MoKα","","0.1711","0.0634","","","0.1368","0.2019","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106882","6.1559","0.0008","8.6293","0.0011","27.248","0.003","90","","90","","90","","1447.4","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O S -","- C17 H18 O S -","- C68 H72 O4 S4 -","4","1","","Scott E. Denmark; David J. P. Kornfilt; Thomas Vogler","Catalytic Asymmetric Thiofunctionalization of Unactivated Alkenes","Journal of the American Chemical Society","2011","133","","15308","15311","10.1021/ja2064395","","","0.71073","MoKα","","0.0255","0.0248","","","0.0652","0.0656","","","","","","1.022","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106883","19.411","0.002","19.411","0.002","16.0339","0.0012","90","","90","","120","","5232","0.9","200","2","200","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 Cr4 Mn2 N8 O53 -","- C24 Cr4 Mn2 N8 O53 -","- C72 Cr12 Mn6 N24 O159 -","3","0.25","","Emilio Pardo; Cyrille Train; Geoffrey Gontard; Kamal Boubekeur; Oscar Fabelo; Hongbo Liu; Brahim Dkhil; Francesc Lloret; Kosuke Nakagawa; Hiroko Tokoro; Shin-ichi Ohkoshi; Michel Verdaguer","High Proton Conduction in a Chiral Ferromagnetic Metal-Organic Quartz-like Framework","Journal of the American Chemical Society","2011","133","","15328","15331","10.1021/ja206917z","","","0.71073","MoKα","","0.0828","0.0578","","","0.1484","0.1621","","","","","","1.045","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106884","18.7113","0.0009","15.8961","0.0008","21.8206","0.0011","90","","110.308","0.001","90","","6086.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 Dy2 Fe2 N5 O20 -","- C60 H64 Dy2 Fe2 N5 O20 -","- C240 H256 Dy8 Fe8 N20 O80 -","4","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0542","0.0353","","","0.0755","0.0808","","","","","","1.009","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106885","11.5412","0.001","14.2757","0.0013","14.487","0.0012","61.979","0.006","87.646","0.007","80.384","0.007","2075.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H92 Dy2 Fe2 N4 O24 -","- C80 H92 Dy2 Fe2 N4 O24 -","- C80 H92 Dy2 Fe2 N4 O24 -","1","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0458","0.04","","","0.0956","0.0972","","","","","","0.999","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106886","18.1723","0.0009","11.6948","0.0006","26.4638","0.0014","90","","96.466","0.001","90","","5588.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C107 H145 Cl2 Dy2 Fe2 N5 O24 -","- C104 H140 Dy2 Fe2 N4 O24 -","- C208 H280 Dy4 Fe4 N8 O48 -","2","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0499","0.0435","","","0.1001","0.1023","","","","","","1.17","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106887","11.0959","0.001","14.0354","0.0012","14.3715","0.0011","85.882","0.007","89.474","0.007","75.941","0.007","2165.4","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.4 H83.7 Dy2 Fe2 N15.7 O34.3 -","- C71.4 H82.2 Dy2 Fe2 N15.7 O34.3 -","- C71.4 H82.2 Dy2 Fe2 N15.7 O34.3 -","1","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0589","0.0364","","","0.0612","0.0643","","","","","","0.983","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106888","11.9912","0.0006","12.8733","0.0007","14.5474","0.0008","70.567","0.004","79.101","0.004","67.143","0.004","1946.78","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H70 Dy2 Fe2 N14 O20 -","- C72 H70 Dy2 Fe2 N14 O20 -","- C72 H70 Dy2 Fe2 N14 O20 -","1","0.5","","Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell","Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters","Journal of the American Chemical Society","2011","133","","15335","15337","10.1021/ja206941e","","","0.71073","MoKα","","0.0318","0.0261","","","0.0579","0.0593","","","","","","1.016","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106889","24.6803","0.0007","19.0086","0.0006","24.8761","0.0008","90","","90","","90","","11670.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C186 H104 La2 N8 Ni2 -","- C186 H104 La1.9998 N8 Ni2 -","- C744 H416 La7.9992 N32 Ni8 -","4","0.5","","Christine M. Beavers; Hongxiao Jin; Hua Yang; Zhimin Wang; Xinqing Wang; Hongliang Ge; Ziyang Liu; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Very Large, Soluble Endohedral Fullerenes in the Series La2C90 to La2C138: Isolation and Crystallographic Characterization of La2@D5(450)-C100","Journal of the American Chemical Society","2011","133","","15338","15341","10.1021/ja207090e","","","0.7749","synchrotron","","0.1162","0.0726","","","0.2027","0.2411","","","","","","1.026","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106890","14.0736","0.0007","16.1627","0.0008","20.5702","0.001","90","","94.579","0.001","90","","4664.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 N2 O3 Si2 W -","- C46 H63 N2 O3 Si2 W -","- C184 H252 N8 O12 Si8 W4 -","4","1","","Takako Muraoka; Keisuke Abe; Youhei Haga; Tomoko Nakamura; Keiji Ueno","Synthesis of a Base-Stabilized Silanone-Coordinated Complex by Oxygenation of a (Silyl)(silylene)tungsten Complex","Journal of the American Chemical Society","2011","133","","15365","15367","10.1021/ja207395w","","","0.71073","MoKα","","0.0753","0.0743","","","0.1264","0.1268","","","","","","1.424","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106891","11.414","0.002","12.2453","0.0019","12.606","0.002","78.318","0.017","83.57","0.018","80.96","0.018","1698.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 O4 Si2 W -","- C32 H48 O4 Si2 W -","- C64 H96 O8 Si4 W2 -","2","1","","Takako Muraoka; Keisuke Abe; Youhei Haga; Tomoko Nakamura; Keiji Ueno","Synthesis of a Base-Stabilized Silanone-Coordinated Complex by Oxygenation of a (Silyl)(silylene)tungsten Complex","Journal of the American Chemical Society","2011","133","","15365","15367","10.1021/ja207395w","","","0.71073","MoKα","","0.0441","0.0437","","","0.1077","0.108","","","","","","1.191","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106892","10.7602","0.0003","26.2859","0.0009","11.0666","0.0004","90","","96.7772","0.0014","90","","3108.22","0.18","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg{CpFe(CO)2}2(THF)4","","- C30 H42 Fe2 Mg O8 -","- C30 H42 Fe2 Mg O8 -","- C120 H168 Fe8 Mg4 O32 -","4","1","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","0.71073","MoKα","","0.1205","0.0683","","0.0659","0.0482","0.0455","","","","","","1.1257","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106893","12.9009","0.0001","21.4323","0.0002","16.2355","0.0001","90","","109.763","0.0004","90","","4224.64","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ca(LDipp)Fp(THF)2]2","","- C88 H122 Ca2 Fe2 N4 O8 -","- C88 H122 Ca2 Fe2 N4 O8 -","- C176 H244 Ca4 Fe4 N8 O16 -","2","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","0.71073","MoKα","","0.049","0.0375","","0.0436","0.0372","0.0363","","","","","","1.0939","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106894","10.1473","0.0005","11.041","0.0006","15.6119","0.0008","106.883","0.005","102.239","0.004","99.551","0.004","1586.54","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","[CaFp2(THF)3]2","","- C56 H76 Ca2 Fe4 O15 -","- C56 H76 Ca2 Fe4 O15 -","- C56 H76 Ca2 Fe4 O15 -","1","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","1.54184","CuKα","","0.0849","0.064","","0.0443","0.0408","0.0401","","","","","","1.1597","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106895","10.1742","0.0001","11.0428","0.0001","15.7031","0.0002","106.925","0.0006","102.648","0.0005","99.4417","0.0006","1597.11","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","YbFp2(THF)3","","- C58 H80 Fe4 O15.5 Yb2 -","- C58 H80 Fe4 O15.5 Yb2 -","- C58 H80 Fe4 O15.5 Yb2 -","1","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb)","Journal of the American Chemical Society","2011","133","","15358","15361","10.1021/ja207487j","","","0.71073","MoKα","","0.0278","0.0254","","0.0277","0.0266","0.0264","","","","","","1.0766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106896","16.324","0.004","19.559","0.005","18.516","0.005","90","","90","","90","","5912","3","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","eisbm05","","","- C28 H44 Co N S4 -","- C28 H44 Co N S4 -","- C224 H352 Co8 N8 S32 -","8","2","","William R. McNamara; Zhiji Han; Paul J. Alperin; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","A Cobalt-Dithiolene Complex for the Photocatalytic and Electrocatalytic Reduction of Protons","Journal of the American Chemical Society","2011","133","","15368","15371","10.1021/ja207842r","","","0.71073","MoKα","","0.0877","0.0519","","","0.0989","0.114","","","","","","0.993","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106897","17.5701","0.0005","5.6668","0.0002","20.4694","0.0007","90","","96.082","0.002","90","","2026.59","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Susan L. Zultanski; Gregory C. Fu","Catalytic Asymmetric γ-Alkylation of Carbonyl Compounds via Stereoconvergent Suzuki Cross-Couplings","Journal of the American Chemical Society","2011","133","","15362","15364","10.1021/ja2079515","","","1.54178","CuKα","","0.0506","0.0476","","","0.1306","0.1328","","","","","","1.054","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106898","6.8079","0.0002","10.7683","0.0003","11.1116","0.0003","102.638","0.001","100.045","0.001","94.124","0.001","777.51","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O3 S -","- C14 H20 N2 O3 S -","- C28 H40 N4 O6 S2 -","2","1","","Anupam Mukherjee; Ramesh B. Dateer; Rupsha Chaudhuri; Sabyasachi Bhunia; Somnath Narayan Karad; Rai-Shung Liu","Gold-Catalyzed 1,2-Difunctionalizations of Aminoalkynes Using Only N- and O-Containing Oxidants","Journal of the American Chemical Society","2011","133","","15372","15375","10.1021/ja208150d","","","0.71073","MoKα","","0.0438","0.0356","","","0.0942","0.1002","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106899","17.425","0.008","11.815","0.006","20.949","0.01","90","","111.334","0.007","90","","4017","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H69 Fe N2 P Si4 -","- C30 H69 Fe N2 P Si4 -","- C120 H276 Fe4 N8 P4 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.1942","0.0711","","","0.1374","0.1944","","","","","","0.926","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106900","11.9184","0.0003","11.9184","0.0003","24.2844","0.0008","90","","90","","90","","3449.56","0.17","200","2","200","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H60 Fe N2 P2 Si4 -","- C22 H60 Fe N2 P2 Si4 -","- C88 H240 Fe4 N8 P8 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.037","0.0286","","","0.0591","0.0612","","","","","","1.042","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106901","12.0279","0.0009","15.796","0.0012","20.3153","0.0016","90","","90.329","0.001","90","","3859.7","0.5","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H69 Fe N2 P Si4 -","- C30 H69 Fe N2 P Si4 -","- C120 H276 Fe4 N8 P4 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.0606","0.0388","","","0.088","0.096","","","","","","1.124","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106902","16.539","0.006","9.781","0.003","22.109","0.008","90","","108.69","0.005","90","","3388","2","113","","113","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H40 N4 O4 Pt2 -","- C38 H40 N4 O4 Pt2 -","- C152 H160 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0778","","","","0.2218","","","","","","1.086","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106903","38.64","0.03","9.835","0.006","10.795","0.007","90","","94.461","0.012","90","","4090","5","113","","113","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H52 N4 O4 Pt2 -","- C44 H52 N4 O4 Pt2 -","- C176 H208 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.1044","","","","0.2425","","","","","","1.039","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106904","9.796","0.003","19.219","0.006","20.06","0.006","90","","99.104","0.008","90","","3729","2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 O4 Pt2 -","- C42 H48 N4 O4 Pt2 -","- C168 H192 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0782","","","","0.2478","","","","","","1.227","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106905","18.1342","0.0003","21.0565","0.0003","14.0388","0.0002","90","","90","","90","","5360.61","0.14","113","","113","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C57 H78 N4 O4 Pt2 -","- C57 H78 N4 O4 Pt2 -","- C228 H312 N16 O16 Pt8 -","4","1","","Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota","Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes","Journal of the American Chemical Society","2011","133","","16054","16061","10.1021/ja2039369","","","0.71075","MoKα","","","0.0306","","","","0.0618","","","","","","1.069","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106906","21.258","0.005","9.278","0.002","19.752","0.005","90","","92.684","0.009","90","","3891.4","1.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 Co N5 S2 -","- C36 H45 Cl2 Co N5 S2 -","- C144 H180 Cl8 Co4 N20 S8 -","4","1","","Titel Jurca; Ahmed Farghal; Po-Heng Lin; Ilia Korobkov; Muralee Murugesu; Darrin S. Richeson","Single-Molecule Magnet Behavior with a Single Metal Center Enhanced through Peripheral Ligand Modifications","Journal of the American Chemical Society","2011","133","","15814","15817","10.1021/ja204562m","","","0.71073","MoKα","","0.0982","0.0723","","","0.1714","0.1879","","","","","","1.033","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106907","16.2916","0.0005","18.644","0.0006","15.7275","0.0005","90","","90","","90","","4777.1","0.3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C47 H51 Co N5 O0.5 S2 -","- C47 H51 Co N5 O0.5 S2 -","- C188 H204 Co4 N20 O2 S8 -","4","0.5","","Titel Jurca; Ahmed Farghal; Po-Heng Lin; Ilia Korobkov; Muralee Murugesu; Darrin S. Richeson","Single-Molecule Magnet Behavior with a Single Metal Center Enhanced through Peripheral Ligand Modifications","Journal of the American Chemical Society","2011","133","","15814","15817","10.1021/ja204562m","","","0.71073","MoKα","","0.1705","0.0693","","","0.1064","0.1323","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106908","8.529","0.002","16.795","0.005","9.3511","0.0004","90","","91.695","0.001","90","","1338.9","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C44 H56 F8 O28 -","4","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71069","MoKα","","0.21","0.0395","","","0.0876","0.1115","","","","","","0.808","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106909","5.6002","0.0009","13.903","0.005","9.208","0.0008","90","","103.04","0.002","90","","698.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 F3 O7 -","- C11 H13 F3 O7 -","- C22 H26 F6 O14 -","2","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71069","MoKα","","0.1127","0.0395","","","0.0828","0.0962","","","","","","0.778","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106910","7.9989","0.0009","7.3754","0.0008","11.0744","0.001","90","","91.65","0.01","90","","653.06","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C22 H28 F4 O14 -","2","1","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71073","MoKα","","0.0449","0.0385","","","0.0958","0.0985","","","","","","1.022","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106911","8.6224","0.0008","13.421","0.0016","18.0267","0.0013","85.35","0.01","75.23","0.01","83.42","0.01","2000.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 F2 O7 -","- C11 H14 F2 O7 -","- C66 H84 F12 O42 -","6","3","","Seung Seo Lee; Ian R. Greig; David J. Vocadlo; John D. McCarter; Brian O. Patrick; Stephen G. Withers","Structural, Mechanistic, and Computational Analysis of the Effects of Anomeric Fluorines on Anomeric Fluoride Departure in 5-Fluoroxylosyl Fluorides","Journal of the American Chemical Society","2011","133","","15826","15829","10.1021/ja204829r","","","0.71073","MoKα","","0.0767","0.0601","","","0.1566","0.1725","","","","","","1.096","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106912","7.6787","0.0002","16.934","0.0004","18.3591","0.0004","90","","92.984","0.002","90","","2384.02","0.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N5 S2 -","- C28 H19 N5 S2 -","- C112 H76 N20 S8 -","4","1","","Li-Yen Lin; Yi-Hong Chen; Zheng-Yu Huang; Hao-Wu Lin; Shu-Hua Chou; Francis Lin; Chang-Wen Chen; Yi-Hung Liu; Ken-Tsung Wong","A Low-Energy-Gap Organic Dye for High-Performance Small-Molecule Organic Solar Cells","Journal of the American Chemical Society","2011","133","","15822","15825","10.1021/ja205126t","","","1.54178","CuKα","","0.0473","0.0429","","","0.1272","0.1351","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106913","18.411","0.002","9.9589","0.0013","19.122","0.002","90","","105.903","0.008","90","","3371.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 O4 -","- C46 H40 O4 -","- C184 H160 O16 -","4","1","","Thomas J. Sisto; Matthew R. Golder; Elizabeth S. Hirst; Ramesh Jasti","Selective Synthesis of Strained [7]Cycloparaphenylene: An Orange-Emitting Fluorophore","Journal of the American Chemical Society","2011","133","","15800","15802","10.1021/ja205606p","","","1.54178","CuKα","","0.0804","0.0585","","","0.1274","0.1471","","","","","","1.047","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106914","15.102","0.004","14.324","0.003","15.194","0.004","90","","92.847","0.004","90","","3282.7","1.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 Cl4 N4 O8 -","- C68 H78 Cl4 N4 O8 -","- C136 H156 Cl8 N8 O16 -","2","0.5","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.71073","MoKα","","0.056","0.0512","","","0.1355","0.1399","","","","","","1.04","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106915","14.677","0.004","14.833","0.004","17.768","0.005","111.834","0.004","91.375","0.004","113.717","0.004","3218.1","1.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H75 N4 O8 -","- C76 H75 N4 O8 -","- C152 H150 N8 O16 -","2","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.71073","MoKα","","0.0768","0.0667","","","0.1833","0.1943","","","","","","1.048","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106916","19.3034","0.0008","11.7118","0.0004","43.8395","0.0017","90","","90","","90","","9911.1","0.7","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C106 H160 N6 O5.5 -","- C104 H156 N6 O5 -","- C416 H624 N24 O20 -","4","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.7749","synchrotron","","0.1165","0.0978","","","0.2651","0.2806","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106917","21.1484","0.0012","9.4351","0.0005","27.3906","0.0015","90","","101.053","0.003","90","","5364.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 N4 O2 -","- C66 H66 N4 O2 -","- C264 H264 N16 O8 -","4","1","","Shinsuke Ishihara; Jonathan P. Hill; Atsuomi Shundo; Gary J. Richards; Jan Labuta; Kei Ohkubo; Shunichi Fukuzumi; Akira Sato; Mark R. J. Elsegood; Simon J. Teat; Katsuhiko Ariga","Reversible Photoredox Switching of Porphyrin-Bridged Bis-2,6-di-tert-butylphenols","Journal of the American Chemical Society","2011","133","","16119","16126","10.1021/ja2056165","","","0.7749","synchrotron","","0.1511","0.1436","","","0.3606","0.3669","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106918","15.523","0.002","14.8902","0.0019","15.937","0.002","90","","93.327","0.004","90","","3677.5","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N4 -","- C50 H36 N4 -","- C200 H144 N16 -","4","1","","Thomas P. Vaid","A Porphyrin with a C=C Unit at Its Center","Journal of the American Chemical Society","2011","133","","15838","15841","10.1021/ja205738z","","","0.71073","MoKα","","0.1002","0.0696","","","","0.1929","","","","","","1.091","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106919","19.287","0.005","17.924","0.005","19.221","0.005","90","","111.26","0.02","90","","6192","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H56 Fe2 N24 O9 S4 -","- C53 H56 Fe2 N24 O9 S4 -","- C212 H224 Fe8 N96 O36 S16 -","4","0.5","","Yann Garcia; François Robert; Anil D. Naik; Guangyuan Zhou; Bernard Tinant; Koen Robeyns; Sébastien Michotte; Luc Piraux","Spin Transition Charted in a Fluorophore-Tagged Thermochromic Dinuclear Iron(II) Complex","Journal of the American Chemical Society","2011","133","","15850","15853","10.1021/ja205974q","","","0.71069","MoKα","","0.0549","0.048","","","0.1217","0.1267","","","","","","1.062","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106920","19.63","0.005","18.131","0.005","19.5","0.005","90","","110.74","0.02","90","","6491","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H56 Fe2 N24 O9 S4 -","- C53 H56 Fe2 N24 O9 S4 -","- C212 H224 Fe8 N96 O36 S16 -","4","0.5","","Yann Garcia; François Robert; Anil D. Naik; Guangyuan Zhou; Bernard Tinant; Koen Robeyns; Sébastien Michotte; Luc Piraux","Spin Transition Charted in a Fluorophore-Tagged Thermochromic Dinuclear Iron(II) Complex","Journal of the American Chemical Society","2011","133","","15850","15853","10.1021/ja205974q","","","0.71069","MoKα","","0.064","0.0523","","","0.1334","0.1405","","","","","","1.019","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106921","19.3751","0.0013","22.2846","0.0019","26.8917","0.0019","90","","93.087","0.005","90","","11594.1","1.5","100","2","100","2","","","","","","","","8","P 1 2/m 1","-P 2y","10","","","","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","1","0.25","","Chang Yeon Lee; Omar K. Farha; Bong Jin Hong; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Light-Harvesting Metal-Organic Frameworks (MOFs): Efficient Strut-to-Strut Energy Transfer in Bodipy and Porphyrin-Based MOFs","Journal of the American Chemical Society","2011","133","","15858","15861","10.1021/ja206029a","","","1.54178","CuKα","","0.1972","0.0797","","","0.1904","0.2195","","","","","","0.821","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106922","16.6179","0.0016","16.6179","0.0016","22.266","0.004","90","","90","","90","","6148.9","1.4","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C77 H49 B F2 N8 O9 Zn3 -","- C77.12 H50.32 B0.96 F1.92 N8 O9 Zn3 -","- C77.12 H50.32 B0.96 F1.92 N8 O9 Zn3 -","1","0.0625","","Chang Yeon Lee; Omar K. Farha; Bong Jin Hong; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Light-Harvesting Metal-Organic Frameworks (MOFs): Efficient Strut-to-Strut Energy Transfer in Bodipy and Porphyrin-Based MOFs","Journal of the American Chemical Society","2011","133","","15858","15861","10.1021/ja206029a","","","1.54178","CuKα","","0.1009","0.0695","","","0.1715","0.1865","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106923","36.0575","0.0014","26.5202","0.0011","28.8726","0.0013","90","","90","","90","","27609","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 In40 N9 O8 S66 -","- C2 In40 N9 O8 S66 -","- C8 In160 N36 O32 S264 -","4","0.5","","Tao Wu; Fan Zuo; Le Wang; Xianhui Bu; Shou-Tian Zheng; Richard Ma; Pingyun Feng","A Large Indium Sulfide Supertetrahedral Cluster Built from Integration of ZnS-like Tetrahedral Shell with NaCl-like Octahedral Core","Journal of the American Chemical Society","2011","133","","15886","15889","10.1021/ja2066994","","","0.71073","MoKα","","0.1423","0.0845","","","0.2404","0.3276","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106924","31.108","0.005","15.439","0.003","23.333","0.003","90","","106.151","0.011","90","","10764","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H50 F36 N10 O12 Yb2 -","- C82 H50 F36 N10 O12 Yb2 -","- C328 H200 F144 N40 O48 Yb8 -","4","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71073","MoKα","","0.1504","0.0875","","","0.2112","0.2387","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106925","31.076","0.003","15.3146","0.0009","23.392","0.002","90","","106.094","0.007","90","","10696.3","1.6","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H50 F36 N10 O12 Y2 -","- C82 H50 F36 N10 O12 Y2 -","- C328 H200 F144 N40 O48 Y8 -","4","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71073","MoKα","","0.1461","0.0923","","","0.2106","0.2267","","","","","","1.312","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106926","12.586","0.0008","12.6093","0.0008","14.5497","0.001","103.816","0.005","93.852","0.005","103.81","0.005","2158.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H48 F38 N10 O12 Yb2 -","- C82 H48 F38 N10 O12 Yb2 -","- C82 H48 F38 N10 O12 Yb2 -","1","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71069","MoKα","","0.0332","0.0309","","","0.0857","0.0866","","","","","","1.318","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106927","12.1392","0.0007","12.708","0.0007","16.7807","0.001","75.761","0.005","70.952","0.005","65.58","0.004","2209.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H54 Eu2 F36 N10 O14 -","- C84 H54 Eu2 F36 N10 O14 -","- C84 H54 Eu2 F36 N10 O14 -","1","0.5","","Jean-François Lemonnier; Laure Guénée; César Beuchat; Tomasz A. Wesolowski; Prasun Mukherjee; David H. Waldeck; Kristy A. Gogick; Stéphane Petoud; Claude Piguet","Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers","Journal of the American Chemical Society","2011","133","","16219","16234","10.1021/ja206806t","","","0.71073","MoKα","","0.0495","0.0381","","","0.0784","0.083","","","","","","0.986","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106928","5.886","0.003","10.628","0.005","29.381","0.012","90","","90","","90","","1838","1.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O5 S -","- C16 H24 N2 O5 S -","- C64 H96 N8 O20 S4 -","4","1","","Li-Tao Shen; Li-Hui Sun; Song Ye","Highly Enantioselective γ-Amination of α,β-Unsaturated Acyl Chlorides with Azodicarboxylates: Efficient Synthesis of Chiral γ-Amino Acid Derivatives","Journal of the American Chemical Society","2011","133","","15894","15897","10.1021/ja206819y","","","0.71073","MoKα","","0.049","0.0457","","","0.1001","0.1027","","","","","","1.099","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106929","18.661","0.003","8.7754","0.0016","7.9279","0.0015","90","","96.648","0.003","90","","1289.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 Br O3 -","- C11 H21 Br O3 -","- C44 H84 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0965","0.044","","","0.083","0.0974","","","","","","1.026","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106930","18.191","0.019","8.927","0.009","8.178","0.008","90","","94.08","0.013","90","","1325","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 Br O3 -","- C11 H21 Br O3 -","- C44 H84 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.2535","0.0737","","","0.1548","0.2064","","","","","","1.001","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106931","17.1453","0.0019","8.5306","0.001","8.3789","0.0009","90","","93.878","0.002","90","","1222.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 Br O3 -","- C11 H21 Br O3 -","- C44 H84 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0395","0.0298","","","0.0754","0.0797","","","","","","1.047","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106932","14.5031","0.0015","10.0832","0.001","17.4974","0.0018","90","","102.375","0.002","90","","2499.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Br3 O5 -","- C25 H27 Br3 O5 -","- C100 H108 Br12 O20 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.1261","0.0475","","","0.0718","0.0882","","","","","","1.004","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106933","15.255","0.004","8.603","0.002","8.606","0.002","90","","95.675","0.003","90","","1123.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Br O3 -","- C10 H19 Br O3 -","- C40 H76 Br4 O12 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0449","0.0311","","","0.0643","0.0694","","","","","","1.051","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106934","23.14","0.009","7.323","0.003","8.379","0.003","90","","95.348","0.006","90","","1413.7","0.9","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H24 Br O4.5 -","- C11 H24 Br O4.5 -","- C44 H96 Br4 O18 -","4","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0638","0.039","","","0.0594","0.0652","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106935","5.2374","0.001","8.1373","0.0016","16.775","0.003","87.12","0.003","84.11","0.003","73.262","0.003","680.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H23 Br O3 -","- C12 H23 Br O3 -","- C24 H46 Br2 O6 -","2","1","","Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler","A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers","Journal of the American Chemical Society","2011","133","","15898","15901","10.1021/ja2069449","","","0.71073","MoKα","","0.0997","0.0466","","","0.0706","0.0818","","","","","","1.002","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106936","8.946","0.005","9.455","0.005","9.534","0.005","65.477","0.005","78.997","0.005","77.201","0.005","711","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H20 F N O2 -","- C16 H20 F N O2 -","- C32 H40 F2 N2 O4 -","2","2","","Matthew H. Katcher; Allen Sha; Abigail G. Doyle","Palladium-Catalyzed Regio- and Enantioselective Fluorination of Acyclic Allylic Halides","Journal of the American Chemical Society","2011","133","","15902","15905","10.1021/ja206960k","","","1.54184","CuKα","","0.04","0.0392","","","0.1061","0.1077","","","","","","1.108","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106937","16.6758","0.0006","14.9777","0.0004","15.2925","0.0004","90","","98.774","0.002","90","","3774.8","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Cl2 N O P2 S2 -","- C40 H39 Cl2 N O P2 S2 -","- C160 H156 Cl8 N4 O4 P8 S8 -","4","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","1.54178","CuKα","","0.0598","0.0526","","","0.1347","0.141","","","","","","1.038","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106938","11.0072","0.0004","17.2751","0.0005","17.6048","0.0006","90","","90","","90","","3347.56","0.19","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C120 H136 I16 N8 O8 -","8","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","0.71073","MoKα","","0.0935","0.0795","","","0.2079","0.2203","","","","","","1.126","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106939","8.7052","0.0002","9.0837","0.0002","9.9412","0.0003","114.065","0.002","93.81","0.002","97.318","0.001","705.82","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 I N O -","- C15 H18 I N O -","- C30 H36 I2 N2 O2 -","2","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","0.71073","MoKα","","0.0481","0.0477","","","0.1305","0.1308","","","","","","1.075","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106940","11.2664","0.0007","16.9596","0.0011","22.4797","0.0015","90","","90","","90","","4295.3","0.5","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 K O6 Si3 Y -","- C36 H63 K O6 Si3 Y -","- C144 H252 K4 O24 Si12 Y4 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0342","0.0275","","","0.0572","0.0592","","","","","","1.013","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106941","8.2062","0.0003","22.2585","0.0007","28.7399","0.0009","90","","90","","90","","5249.6","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Y -","- C24 H39 Si3 Y -","- C192 H312 Si24 Y8 -","8","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0341","0.0236","","","0.0527","0.0561","","","","","","1.03","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106942","19.3633","0.0008","15.2696","0.0006","21.0046","0.0009","90","","111.798","0.0005","90","","5766.4","0.4","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 N2 O2 Si4 Y2 -","- C54 H84 N2 O2 Si4 Y2 -","- C216 H336 N8 O8 Si16 Y8 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0378","0.0279","","","0.065","0.0683","","","","","","1.025","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106943","10.4194","0.0003","13.8223","0.0006","20.0405","0.0005","76.492","0.001","75.028","0.001","82.15","0.002","2702.18","0.16","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H87 Ge N7 O P2 Si -","- C46 H87 Ge N7 O P2 Si -","- C92 H174 Ge2 N14 O2 P4 Si2 -","2","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.0439","0.0361","","","0.0963","0.1013","","","","","","1.023","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106944","10.0652","0.0009","12.1234","0.0011","20.7037","0.0019","100.199","0.005","93.7","0.004","100.552","0.005","2432.1","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H77 Ge N5 P2 Si -","- C42 H77 Ge N5 P2 Si -","- C84 H154 Ge2 N10 P4 Si2 -","2","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.0725","0.0524","","","0.1163","0.1264","","","","","","1.184","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106945","12.0149","0.0004","13.333","0.0005","28.4929","0.0009","90","","95.319","0.001","90","","4544.8","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H77 Ge N5 P2 Si -","- C42 H77 Ge N5 P2 Si -","- C168 H308 Ge4 N20 P8 Si4 -","4","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.055","0.037","","","0.0887","0.0954","","","","","","1.02","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106946","9.8517","0.0004","10.3538","0.0004","22.4488","0.001","85.48","0.001","81.329","0.002","70.626","0.001","2134.46","0.15","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H71 Ge N5 P2 -","- C40 H71 Ge N5 P2 -","- C80 H142 Ge2 N10 P4 -","2","1","","Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo","Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes","Journal of the American Chemical Society","2011","133","","15930","15933","10.1021/ja2073577","","","0.71073","MoKα","","0.0383","0.0317","","","0.0796","0.0838","","","","","","1.03","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106947","14.8753","0.0012","26.441","0.002","15.4218","0.0015","90","","107.903","0.003","90","","5772","0.9","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C130 H88 Cl5 Li N4 S24 -","- C129 H86 Cl3 Li N4 S24 -","- C258 H172 Cl6 Li2 N8 S48 -","2","0.5","","Shunichi Fukuzumi; Kei Ohkubo; Yuki Kawashima; Dong Sub Kim; Jung Su Park; Atanu Jana; Vincent M. Lynch; Dongho Kim; Jonathan L. Sessler","Ion-Controlled On-Off Switch of Electron Transfer from Tetrathiafulvalene Calix[4]pyrroles to Li+@C60","Journal of the American Chemical Society","2011","133","","15938","15941","10.1021/ja207588c","","","0.71075","MoKα","","0.1064","0.071","","","0.1919","0.2056","","","","","","1.282","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106948","10.111","0.0003","17.9859","0.0006","21.638","0.0007","66.504","0.001","77.043","0.001","85.474","0.001","3516.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H36 Ir N O23 P2 Ru6 -","- C65 H36 Ir N O23 P2 Ru6 -","- C130 H72 Ir2 N2 O46 P4 Ru12 -","2","1","","Richard D. Adams; Qiang Zhang; Xinzheng Yang","Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties and Reactivities","Journal of the American Chemical Society","2011","133","","15950","15953","10.1021/ja207840w","","","0.71073","MoKα","","0.0853","0.05","","","0.1248","0.1501","","","","","","1.069","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106949","10.624","0.002","13.983","0.003","17.735","0.004","68.36","0.004","88.205","0.004","80.33","0.004","2412.8","0.9","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H22 Au Ir O20 P Ru5 -","- C41 H22 Au Ir O20 P Ru5 -","- C82 H44 Au2 Ir2 O40 P2 Ru10 -","2","1","","Richard D. Adams; Qiang Zhang; Xinzheng Yang","Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties and Reactivities","Journal of the American Chemical Society","2011","133","","15950","15953","10.1021/ja207840w","","","0.71073","MoKα","","0.113","0.0736","","","0.1689","0.1813","","","","","","1.029","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106950","18.615","0.007","18.615","0.007","36.321","0.014","90","","90","","90","","12586","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","MMPF-1","","","- C36 H16 Cu3 N4 O10 -","- C36 H16 Cu3 N4 O10 -","- C288 H128 Cu24 N32 O80 -","8","0.5","","Xi-Sen Wang; Le Meng; Qigan Cheng; Chungsik Kim; Lukasz Wojtas; Matthew Chrzanowski; Yu-Sheng Chen; X. Peter Zhang; Shengqian Ma","Three-Dimensional Porous Metal-Metalloporphyrin Framework Consisting of Nanoscopic Polyhedral Cages","Journal of the American Chemical Society","2011","133","","16322","16325","10.1021/ja204339e","","","0.40663","synchrotron","","0.1772","0.096","","","0.2042","0.2186","","","","","","1.019","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106951","29.29","0.006","29.29","0.006","21.799","0.007","90","","90","","120","","16196","7","90","2","90","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C120 H97 N12 O0.5 -","- C120 H96 N12 O0.5 -","- C720 H576 N72 O3 -","6","0.666667","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.1363","0.0649","","","0.1453","0.1808","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106952","29.494","0.005","29.494","0.005","11.036","0.003","90","","90","","120","","8314","3","298","2","298","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C120 H96 N12 -","- C120 H96 N12 -","- C360 H288 N36 -","3","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.0867","0.0421","","","0.0807","0.0947","","","","","","0.986","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106953","29.175","0.008","29.175","0.008","10.882","0.004","90","","90","","120","","8022","4","90","2","90","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C120 H96 N17 -","- C120 H96 N17 -","- C360 H288 N51 -","3","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.116","0.0641","","","0.149","0.1783","","","","","","1.014","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106954","30.587","0.002","30.587","0.002","21.553","0.002","90","","90","","120","","17463","2","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C124.5 H89.5 Cl13.5 F12 N12 O0.5 -","- C124.5 H88 Cl13.17 F12 N12 O0.495 -","- C747 H528 Cl79.02 F72 N72 O2.97 -","6","0.666667","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.71073","MoKα","","0.1229","0.0828","","","0.2118","0.2298","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106955","30.128","0.005","30.128","0.005","20.746","0.004","90","","90","","120","","16308","5","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C120 H84 Cl0 F12 N13 -","- C120 H84 F12 N12.99 -","- C720 H504 F72 N77.94 -","6","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.71073","MoKα","","0.1161","0.0535","","","0.1076","0.1347","","","","","","1.027","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106956","21.886","0.005","13.965","0.005","18.903","0.003","90","","103.017","0.018","90","","5629","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H37 B18 Co N O P -","- C14 H37 B18 Co N O P -","- C112 H296 B144 Co8 N8 O8 P8 -","8","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","","0.71069","MoKα","","0.1228","0.0505","","","0.1151","0.1394","","","","","","1.016","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106957","10.6695","0.0004","14.5788","0.0006","17.5974","0.0006","90","","90","","90","","2737.25","0.18","173","2","173","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H37 B18 Co N P S -","- C14 H37 B18 Co N P S -","- C56 H148 B72 Co4 N4 P4 S4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0747","0.0542","","","0.1035","0.1111","","","","","","1.024","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106958","10.436","0.0003","11.2927","0.0003","23.4638","0.0007","90","","90","","90","","2765.22","0.14","173","2","173","2","","","","","","","synthesis as described","7","P 21 n b","P -2bc 2a","33","","","","- C14 H37 B18 Co N P Se -","- C14 H37 B18 Co N P Se -","- C56 H148 B72 Co4 N4 P4 Se4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0713","0.053","","","0.0993","0.1043","","","","","","1.121","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106959","10.508","0.003","15.676","0.003","20.258","0.007","90","","90.323","0.002","90","","3336.9","1.6","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C20.8 H40.6 B18 Cl1.6 Co N P -","- C20.8 H40.6 B18 Cl1.6 Co N P -","- C83.2 H162.4 B72 Cl6.4 Co4 N4 P4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0728","0.0635","","","0.1471","0.1508","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106960","5.6446","0.0016","7.425","0.002","14.514","0.004","90","","90","","90","","608.3","0.3","173","2","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H5 N Na -","- B H5 N Na -","- B8 H40 N8 Na8 -","8","1","","David J. Wolstenholme; James T. Titah; Franklin N. Che; Kyle T. Traboulsee; Jenna Flogeras; G. Sean McGrady","Homopolar Dihydrogen Bonding in Alkali-Metal Amidoboranes and Its Implications for Hydrogen Storage","Journal of the American Chemical Society","2011","133","","16598","16604","10.1021/ja206357a","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0919","0.0946","","","","","","1.249","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106961","17.7727","0.0008","12.6382","0.0006","8.1349","0.0004","90","","90","","90","","1827.22","0.15","296","2","296","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C32 H12 -","- C32 H12 -","- C128 H48 -","4","0.5","","Tsun-Cheng Wu; Hsin-Ju Hsin; Ming-Yu Kuo; Ching-Hsiu Li; Yao-Ting Wu","Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments","Journal of the American Chemical Society","2011","133","","16319","16321","10.1021/ja2067725","","","0.71073","MoKα","","0.0414","0.0328","","","0.077","0.0819","","","","","","1.051","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4106962","20.405","0.012","23.455","0.014","7.762","0.004","90","","90","","90","","3715","4","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C30 H16 -","- C30 H16 -","- C240 H128 -","8","2","","Tsun-Cheng Wu; Hsin-Ju Hsin; Ming-Yu Kuo; Ching-Hsiu Li; Yao-Ting Wu","Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments","Journal of the American Chemical Society","2011","133","","16319","16321","10.1021/ja2067725","","","0.71073","MoKα","","0.103","0.0643","","","0.1613","0.1941","","","","","","1.034","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106963","26.1743","0.0006","19.2424","0.0005","29.4693","0.0006","90","","98.154","0.001","90","","14692.3","0.6","173","2","173","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","TLC127 CH2Cl2/Et2O","","","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C480 H576 Ag16 Au16 F176 I32 N16 O32 -","8","2","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","x-ray","0.71073","MoKα","","0.154","0.0583","","","0.0726","0.0917","","","","","","1.011","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106964","16.6596","0.0004","16.748","0.0005","30.2716","0.0007","82.674","0.001","84.783","0.001","61.23","0.001","7338.9","0.3","120","2","120","2","","","","","","","synthesis as described","9","P -1","-P 1","2","TLC 124 (thf/hx)","","","- C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.5 -","- C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.5 -","- C232 H304 Ag8 Au8 Cl8 F64 I16 N8 O34 -","4","2","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","x-ray","0.71073","MoKα","","0.1038","0.0672","","","0.1863","0.2381","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106965","7.695","0.0016","15.938","0.004","16.894","0.004","90","","90","","90","","2071.9","0.8","293","2","293","2","","","","","","","","7","P n n n :2","-P 2ab 2bc","48","","","","- C14 H3 Ag Au F8 I2 N -","- C14 H3 Ag Au F8 I2 N -","- C56 H12 Ag4 Au4 F32 I8 N4 -","4","0.5","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","","0.71073","MoKα","","0.0398","0.0283","","","0.0746","0.082","","","","","","1.052","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106966","11.0028","0.0013","11.2698","0.0018","16.858","0.003","77.318","0.01","79.42","0.009","60.821","0.006","1773.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Fe P3 Si -","- C36 H54 Fe P3 Si -","- C72 H108 Fe2 P6 Si2 -","2","1","","Yunho Lee; R. Adam Kinney; Brian M. Hoffman; Jonas C. Peters","A Nonclassical Dihydrogen Adduct of S=1/2 Fe(I)","Journal of the American Chemical Society","2011","133","","16366","16369","10.1021/ja207003m","","","1.54178","CuKα","","0.0615","0.053","","","0.1452","0.1508","","","","","","1.121","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106967","11.0008","0.0005","11.2664","0.0006","16.8497","0.0008","92.527","0.001","100.465","0.001","119.164","0.001","1771.76","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Fe P3 Si -","- C36 H54 Fe P3 Si -","- C72 H108 Fe2 P6 Si2 -","2","1","","Yunho Lee; R. Adam Kinney; Brian M. Hoffman; Jonas C. Peters","A Nonclassical Dihydrogen Adduct of S=1/2 Fe(I)","Journal of the American Chemical Society","2011","133","","16366","16369","10.1021/ja207003m","","","0.71073","MoKα","","0.0473","0.0326","","","0.0812","0.0874","","","","","","1.095","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106968","36.6124","0.0008","11.7648","0.0002","17.2209","0.0003","90","","104.186","0.001","90","","7191.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H55 Fe N2 P3 Si -","- C36 H55 Fe N2 P3 Si -","- C288 H440 Fe8 N16 P24 Si8 -","8","1","","Yunho Lee; R. Adam Kinney; Brian M. Hoffman; Jonas C. Peters","A Nonclassical Dihydrogen Adduct of S=1/2 Fe(I)","Journal of the American Chemical Society","2011","133","","16366","16369","10.1021/ja207003m","","","1.54178","CuKα","","0.0291","0.0283","","","0.074","0.0746","","","","","","1.041","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106969","18.066","0.013","13.115","0.009","21.94","0.016","90","","106.26","0.01","90","","4990","6","138","2","138","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H60 B P3 Ru Si -","- C59 H60 B P3 Ru Si -","- C236 H240 B4 P12 Ru4 Si4 -","4","1","","Mark C. Lipke; T. Don Tilley","High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions","Journal of the American Chemical Society","2011","133","","16374","16377","10.1021/ja207169e","","","0.71073","MoKα","","0.0947","0.0517","","","0.1216","0.1423","","","","","","1.181","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106970","13.4177","0.0016","24.646","0.003","20.125","0.002","90","","95.752","0.003","90","","6621.7","1.3","158","2","158","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H71 B N2 P3 Ru Si -","- C71 H71 B N2 P3 Ru Si -","- C284 H284 B4 N8 P12 Ru4 Si4 -","4","1","","Mark C. Lipke; T. Don Tilley","High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions","Journal of the American Chemical Society","2011","133","","16374","16377","10.1021/ja207169e","","","0.71073","MoKα","","0.0454","0.0409","","","0.0976","0.0998","","","","","","1.135","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106971","14.1289","0.0008","20.8168","0.0012","16.9097","0.001","90","","90.946","0.001","90","","4972.8","0.5","138","2","138","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 B Cl P4 Ru Si -","- C54 H58 B Cl P4 Ru Si -","- C216 H232 B4 Cl4 P16 Ru4 Si4 -","4","1","","Mark C. Lipke; T. Don Tilley","High Electrophilicity at Silicon in η3-Silane σ-Complexes: Lewis Base Adducts of a Silane Ligand, Featuring Octahedral Silicon and Three Ru-H-Si Interactions","Journal of the American Chemical Society","2011","133","","16374","16377","10.1021/ja207169e","","","0.71073","MoKα","","0.063","0.0414","","","0.0921","0.1054","","","","","","1.057","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106972","9.2095","0.0004","11.1209","0.0004","9.1577","0.0003","90","","110.026","0.0015","90","","881.2","0.06","150","","150","","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","","6-Bromo-2,3-dimethoxyphenol","","- C8 H9 Br O3 -","- C8 H9 Br O3 -","- C32 H36 Br4 O12 -","4","1","","Donohoe, Timothy J.; Jones, Christopher R.; Barbosa, Luiz C. A.","Total Synthesis of (±)-Streptonigrin: De Novo Construction of a Pentasubstituted Pyridine using Ring-Closing Metathesis","Journal of the American Chemical Society","2011","133","41","16418","16421","10.1021/ja207835w","","","0.71073","MoKα","","0.0309","0.0267","","0.0636","0.0609","0.0636","","","","","","0.9017","","","","has coordinates","210874","2020-10-21","18:00:00",""
"4106973","9.4956","0.0003","12.5285","0.0005","21.3048","0.0007","90","","95.4317","0.0018","90","","2523.16","0.15","150","","150","","","","","","","","synthetic","6","C 1 2/c 1","-C 2yc","15","","Methyl 5-amino-3-methyl-6-(trifluoromethylsulfonyloxy)picolinate","","- C9 H9 F3 N2 O5 S -","- C9 H9 F3 N2 O5 S -","- C72 H72 F24 N16 O40 S8 -","8","1","","Donohoe, Timothy J.; Jones, Christopher R.; Barbosa, Luiz C. A.","Total Synthesis of (±)-Streptonigrin: De Novo Construction of a Pentasubstituted Pyridine using Ring-Closing Metathesis","Journal of the American Chemical Society","2011","133","41","16418","16421","10.1021/ja207835w","","","0.71073","MoKα","","0.0755","0.0468","","0.1199","0.1064","0.1199","","","","","","0.9341","","","","has coordinates","210874","2020-10-21","18:00:00",""
"4106974","11.9561","0.0005","12.5574","0.0005","23.2405","0.001","90","","90","","90","","3489.3","0.3","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 Br O5 Si -","- C28 H45 Br O5 Si -","- C112 H180 Br4 O20 Si4 -","4","1","","Martin J. Schnermann; Larry E. Overman","Enantioselective Total Synthesis of Aplyviolene","Journal of the American Chemical Society","2011","133","","16425","16427","10.1021/ja208018s","","","0.71073","MoKα","","0.0558","0.0481","","","0.1417","0.1466","","","","","","1.075","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106975","11.5868","0.0011","16.3974","0.0016","21.272","0.002","90","","90","","90","","4041.5","0.7","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H36 Cl F3 Ni P2 -","- C51.001 H36 Cl F3.003 Ni P2 -","- C204.004 H144 Cl4 F12.012 Ni4 P8 -","4","1","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","0.71073","MoKα","","0.0385","0.0313","","","0.0723","0.0754","","","","","","1.04","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106976","10.764","0.003","11.55","0.003","17.936","0.004","90","","93.857","0.003","90","","2224.8","1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H45 N Ni P2 -","- C58 H45 N Ni P2 -","- C116 H90 N2 Ni2 P4 -","2","1","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","0.71073","MoKα","","0.038","0.034","","","0.0894","0.0926","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106977","13.9103","0.0005","13.9103","0.0005","35.535","0.003","90","","90","","90","","6875.9","0.7","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Cl2 Ni2 P4 -","- C88 H64 Cl2 Ni2 P4 -","- C352 H256 Cl8 Ni8 P16 -","4","0.5","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","1.54178","CuKα","","0.0459","0.0358","","","0.0777","0.0815","","","","","","1.032","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106978","13.915","0.0002","13.915","0.0002","35.875","0.0008","90","","90","","90","","6946.4","0.2","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C88 H64 Br2 Ni2 P4 -","- C88 H64 Br2 Ni2 P4 -","- C352 H256 Br8 Ni8 P16 -","4","0.5","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","1.54178","CuKα","","0.0356","0.034","","","0.0911","0.0923","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106979","38.2242","0.0015","10.3105","0.0004","11.7769","0.0005","90","","93.41","0.001","90","","4633.2","0.3","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H27 F5 Si3 -","- C19 H27 F5 Si3 -","- C152 H216 F40 Si24 -","8","2","","Yusuke Inagaki; Masaaki Nakamoto; Akira Sekiguchi","Photoisomerization of Perfluoroaryltetrahedranes to Perfluoroarylcyclobutadienes","Journal of the American Chemical Society","2011","133","","16436","16439","10.1021/ja208354x","","","0.71073","MoKα","","0.0285","0.0269","","","0.0662","0.0673","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106980","8.9064","0.00016","9.63387","0.00018","22.8974","0.0004","90","","90","","90","","1964.67","0.06","93.1","","93","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F O Si -","- C25 H23 F O Si -","- C100 H92 F4 O4 Si4 -","4","1","","Ryo Shintani; Kohei Moriya; Tamio Hayashi","Palladium-Catalyzed Enantioselective Desymmetrization of Silacyclobutanes: Construction of Silacycles Possessing a Tetraorganosilicon Stereocenter","Journal of the American Chemical Society","2011","133","","16440","16443","10.1021/ja208621x","","","1.54187","CuKα","","","0.0435","","","","0.0625","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106981","8.60096","0.00017","9.3243","0.0002","14.184","0.0003","81.4897","0.0015","72.9482","0.0013","77.9686","0.0013","1059.03","0.04","93.1","","93","1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 B O3 Si -","- C25 H27 B O3 Si -","- C50 H54 B2 O6 Si2 -","2","1","","Ryo Shintani; Kohei Moriya; Tamio Hayashi","Palladium-Catalyzed Enantioselective Desymmetrization of Silacyclobutanes: Construction of Silacycles Possessing a Tetraorganosilicon Stereocenter","Journal of the American Chemical Society","2011","133","","16440","16443","10.1021/ja208621x","","","1.54187","CuKα","","","0.0656","","","","0.0968","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106982","16.493","0.002","6.9716","0.0009","17.778","0.002","90","","116.838","0.003","90","","1824","0.4","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl Fe N4 O4 -","- C16 H20 Cl Fe N4 O4 -","- C64 H80 Cl4 Fe4 N16 O16 -","4","1","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","0.71073","MoKα","","0.033","0.0285","","","0.076","0.0794","","","","","","1.052","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106983","20.0612","0.0003","20.0612","0.0003","81.585","0.006","90","","90","","120","","28435","2","85","2","85","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C270 H288 Cl10 Fe18 N72 O94 -","- C270 H288 Cl10 Fe18 N72 O94.04 -","- C810 H864 Cl30 Fe54 N216 O282.12 -","3","0.166667","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","1.54178","CuKα","","0.0885","0.073","","","0.2091","0.2205","","","","","","1.045","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106984","13.3105","0.0006","14.7822","0.0006","16.8328","0.0012","104.135","0.007","92.301","0.006","102.284","0.007","3123.3","0.3","95","2","95","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H98 F18 Fe6 N24 O37 S6 -","- C96 H96 F18 Fe6 N24 O37 S6 -","- C96 H96 F18 Fe6 N24 O37 S6 -","1","0.5","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","1.54187","CuKα","","0.1635","0.107","","","0.2475","0.2819","","","","","","1.134","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106985","26.307","0.002","26.307","0.002","26.307","0.002","90","","90","","90","","18206","2","173","2","173","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C77 H30 Cu13 N1.25 O110.56 P W11 -","- C76.96 H29.76 Cu12.96 N1.25 O110.56 P W11.04 -","- C307.84 H119.04 Cu51.84 N5 O442.24 P4 W44.16 -","4","0.0208333","","Jie Song; Zhen Luo; David K. Britt; Hiroyasu Furukawa; Omar M. Yaghi; Kenneth I. Hardcastle; Craig L. Hill","A Multiunit Catalyst with Synergistic Stability and Reactivity: A Polyoxometalate-Metal Organic Framework for Aerobic Decontamination","Journal of the American Chemical Society","2011","133","","16839","16846","10.1021/ja203695h","","","0.71073","MoKα","","0.0872","0.0567","","","0.1788","0.2468","","","","","","1.04","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106986","25.108","0.005","15.372","0.003","20.633","0.004","90","","94.469","0.002","90","","7939","3","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm2@C88.Ni(OEP).2toluene D2(No. 35)","","","- C138 H60 N4 Ni Sm2 -","- C138.88 H60 N4 Ni Sm2 -","- C555.52 H240 N16 Ni4 Sm8 -","4","0.5","","Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions","Journal of the American Chemical Society","2011","133","","16911","16919","10.1021/ja206244w","","","0.6889","synchrotron","","0.0652","0.0604","","","0.1661","0.1709","","","","","","1.048","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106987","25.442","0.0013","15.4299","0.0008","20.6732","0.0011","90","","95.291","0.005","90","","8081","0.7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm2@C1(21)-C90.Ni(OEP).2toluene","","","- C140 H60 N4 Ni Sm2 -","- C136.5 H57 N4 Ni Sm2.02 -","- C546 H228 N16 Ni4 Sm8.08 -","4","0.5","","Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions","Journal of the American Chemical Society","2011","133","","16911","16919","10.1021/ja206244w","","","0.7749","synchrotron","","0.1121","0.1022","","","0.2917","0.3027","","","","","","1.047","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106988","25.587","0.0009","14.9402","0.0006","21.3995","0.0007","90","","97.638","0.002","90","","8107.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sm2@C92.NiOEP.2chlorobenzene D3(No. 85)","","","- C140 H54 Cl2 N4 Ni Sm2 -","- C142 H54 Cl2 N4 Ni Sm2.02 -","- C568 H216 Cl8 N16 Ni4 Sm8.08 -","4","0.5","","Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions","Journal of the American Chemical Society","2011","133","","16911","16919","10.1021/ja206244w","","","0.7749","synchrotron","","0.0636","0.0473","","","0.1282","0.1412","","","","","","1.017","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106989","10.661","0.005","12.575","0.006","12.995","0.006","101.54","0.006","109.121","0.006","108.587","0.006","1467.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 Mn6 N19 -","- C58 H66 Mn6 N19 -","- C58 H66 Mn6 N19 -","1","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.1455","0.0706","","","0.1755","0.2051","","","","","","0.977","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106990","12.401","0.002","13.0834","0.0016","13.8401","0.0014","73.935","0.007","77.584","0.007","62.279","0.006","1900.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Mn3 N6 O4 -","- C39 H56 Mn3 N6 O4 -","- C78 H112 Mn6 N12 O8 -","2","1","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.0647","0.0435","","","0.1049","0.1173","","","","","","1.033","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106991","10.6564","0.0013","12.5789","0.0015","12.9979","0.0016","101.538","0.002","109.132","0.002","108.614","0.002","1466.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H66 Mn6 N18 O -","- C58 H66 Mn6 N18 O -","- C58 H66 Mn6 N18 O -","1","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.052","0.0382","","","0.0891","0.0957","","","","","","1.022","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106992","20.907","0.0016","16.1996","0.0016","24.338","0.002","90","","90.638","0.002","90","","8242.4","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H126 Mn6 N17 -","- C82 H126 Mn6 N17 -","- C328 H504 Mn24 N68 -","4","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.0501","0.0372","","","0.0952","0.1021","","","","","","1.081","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106993","14.0111","0.0016","14.0448","0.0016","15.648","0.003","95.488","0.002","103.923","0.002","116.907","0.002","2589.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H156 Mn6 N15 -","- C114 H156 Mn6 N15 -","- C114 H156 Mn6 N15 -","1","0.5","","Alison R. Fout; Qinliang Zhao; Dianne J. Xiao; Theodore A. Betley","Oxidative Atom-Transfer to a Trimanganese Complex To Form Mn6(μ6-E) (E = O, N) Clusters Featuring Interstitial Oxide and Nitride Functionalities","Journal of the American Chemical Society","2011","133","","16750","16753","10.1021/ja2066384","","","0.71073","MoKα","","0.0894","0.0482","","","0.1004","0.115","","","","","","0.981","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106994","9.387","0.0004","16.209","0.0004","15.153","0.0005","90","","97.63","0.002","90","","2285.17","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br Cl2 P S2 -","- C22 H18 Br Cl2 P S2 -","- C88 H72 Br4 Cl8 P4 S8 -","4","1","","Yi Ren; Wang Hay Kan; Matthew A. Henderson; Paolo G. Bomben; Curtis P. Berlinguette; Venkataraman Thangadurai; Thomas Baumgartner","External-Stimuli Responsive Photophysics and Liquid Crystal Properties of Self-Assembled ""Phosphole-Lipids""","Journal of the American Chemical Society","2011","133","","17014","17026","10.1021/ja206784f","","","0.71073","MoKα","","0.0811","0.0579","","","0.1224","0.1404","","","","","","1.088","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106995","10.435","0.0003","18.348","0.0005","12.507","0.0004","90","","102.31","0.002","90","","2339.55","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br Cl3 P S2 -","- C22 H17 Br Cl3 P S2 -","- C88 H68 Br4 Cl12 P4 S8 -","4","1","","Yi Ren; Wang Hay Kan; Matthew A. Henderson; Paolo G. Bomben; Curtis P. Berlinguette; Venkataraman Thangadurai; Thomas Baumgartner","External-Stimuli Responsive Photophysics and Liquid Crystal Properties of Self-Assembled ""Phosphole-Lipids""","Journal of the American Chemical Society","2011","133","","17014","17026","10.1021/ja206784f","","","0.71073","MoKα","","0.0656","0.0463","","","0.0848","0.0955","","","","","","1.091","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106996","10.1647","0.0004","10.5937","0.0004","14.4332","0.0006","76.103","0.001","71.008","0.001","82.129","0.001","1423.64","0.1","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 O2 P2 Pd -","- C28 H44 O2 P2 Pd -","- C56 H88 O4 P4 Pd2 -","2","1","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.0205","0.0189","","","0.0553","0.0586","","","","","","0.708","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106997","15.9093","0.001","18.9722","0.0012","16.9307","0.0011","90","","105.939","0.001","90","","4913.8","0.5","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 O2 P2 Pd -","- C22 H40 O2 P2 Pd -","- C176 H320 O16 P16 Pd8 -","8","2","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.063","0.0477","","","0.1207","0.1306","","","","","","0.992","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106998","13.9737","0.0019","14.2809","0.0019","14.517","0.002","90","","93.566","0.001","90","","2891.4","0.7","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Ni O2 P2 -","- C28 H44 Ni O2 P2 -","- C112 H176 Ni4 O8 P8 -","4","1","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.0271","0.0239","","","0.0657","0.0681","","","","","","1.011","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106999","14.1343","0.0006","14.1858","0.0006","14.6658","0.0006","90","","92.962","0.001","90","","2936.7","0.2","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 O2 P2 Pt -","- C28 H44 O2 P2 Pt -","- C112 H176 O8 P8 Pt4 -","4","1","","Ruwei Shen; Tieqiao Chen; Yalei Zhao; Renhua Qiu; Yongbo Zhou; Shuangfeng Yin; Xiangbo Wang; Midori Goto; Li-Biao Han","Facile Regio- and Stereoselective Hydrometalation of Alkynes with a Combination of Carboxylic Acids and Group 10 Transition Metal Complexes: Selective Hydrogenation of Alkynes with Formic Acid","Journal of the American Chemical Society","2011","133","","17037","17044","10.1021/ja2069246","","","0.71073","MoKα","","0.0172","0.0142","","","0.036","0.0372","","","","","","0.965","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107000","11.0719","0.0003","11.0719","0.0003","23.9032","0.0007","90","","90","","90","","2930.22","0.14","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H24 Cl2 O6 P2 Pd -","- C30 H24 Cl2 O6 P2 Pd -","- C120 H96 Cl8 O24 P8 Pd4 -","4","0.5","","Laura A. Brozek; Michael J. Ardolino; James P. Morken","Diastereocontrol in Asymmetric Allyl-Allyl Cross-Coupling: Stereocontrolled Reaction of Prochiral Allylboronates with Prochiral Allyl Chlorides","Journal of the American Chemical Society","2011","133","","16778","16781","10.1021/ja2075967","","","0.71073","MoKα","","0.0149","0.0145","","","0.0376","0.0378","","","","","","1.119","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107001","9.079","0.003","11.802","0.004","13.768","0.005","80.007","0.006","72.445","0.006","87.753","0.006","1385.1","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H39 B Mg N4 O3 -","- C25 H39 B Mg N4 O3 -","- C50 H78 B2 Mg2 N8 O6 -","2","1","","James F. Dunne; Steven R. Neal; Joshua Engelkemier; Arkady Ellern; Aaron D. Sadow","Tris(oxazolinyl)boratomagnesium-Catalyzed Cross-Dehydrocoupling of Organosilanes with Amines, Hydrazine, and Ammonia","Journal of the American Chemical Society","2011","133","","16782","16785","10.1021/ja207641b","","","0.71073","MoKα","","0.1","0.0813","","","0.2167","0.2276","","","","","","1.141","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107002","27.165","0.004","13.745","0.002","46.162","0.007","90","","90","","90","","17236","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H60 I6 N16 O8 Zn3 -","- C82 H60 I6 N16 O8 Zn3 -","- C656 H480 I48 N128 O64 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0944","0.0556","","","0.1251","0.1445","","","","","","0.93","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107003","27.249","0.006","13.798","0.003","44.834","0.01","90","","90","","90","","16857","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H47 I6 N13 O3 Zn3 -","- C64 H47 I6 N13 O3 Zn3 -","- C512 H376 I48 N104 O24 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.13","0.0986","","","0.3159","0.3358","","","","","","1.276","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107004","27.11","0.005","13.785","0.003","45.814","0.009","90","","90","","90","","17121","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C81 H81 I6 N13 O2 Zn3 -","- C81 H81 I6 N13 O2 Zn3 -","- C648 H648 I48 N104 O16 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.1244","0.0997","","","0.3464","0.3681","","","","","","1.516","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107005","28.147","0.003","13.8926","0.0013","44.028","0.004","90","","90","","90","","17216","3","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C536 H400 Cl32 I48 N112 O32 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0824","0.0653","","","0.2557","0.2799","","","","","","1.203","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107006","9.052","0.002","9.299","0.002","17.014","0.004","102.904","0.01","90.446","0.011","108.182","0.009","1321.6","0.5","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H52 B3 N6 P -","- C18 H52 B3 N6 P -","- C36 H104 B6 N12 P2 -","2","1","","William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism","Journal of the American Chemical Society","2011","133","","17093","17099","10.1021/ja207971h","","","0.71073","MoKα","","0.0348","0.0314","","","0.079","0.0824","","","","","","0.923","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107007","17.8873","0.0008","10.4153","0.0005","15.554","0.0007","90","","101.029","0.002","90","","2844.2","0.2","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 B4 N7 P -","- C18 H56 B4 N7 P -","- C72 H224 B16 N28 P4 -","4","1","","William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism","Journal of the American Chemical Society","2011","133","","17093","17099","10.1021/ja207971h","","","0.71073","MoKα","","0.0367","0.0315","","","0.0791","0.0829","","","","","","0.99","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107008","8.3185","0.0015","10.2544","0.0019","36.74","0.006","85.455","0.009","87.606","0.008","66.52","0.008","2865.3","0.9","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H56 B4 N7 P -","- C18 H56 B4 N7 P -","- C72 H224 B16 N28 P4 -","4","2","","William C. Ewing; Allegra Marchione; Daniel W. Himmelberger; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Anionic Borane-Capped Ammonia Borane Oligomers: Evidence for Ammonia Borane H2 Release via a Base-Promoted Anionic Dehydropolymerization Mechanism","Journal of the American Chemical Society","2011","133","","17093","17099","10.1021/ja207971h","","","0.71073","MoKα","","0.057","0.0485","","","0.1223","0.1294","","","","","","0.98","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107009","9.8858","0.0002","8.2382","0.0001","13.6521","0.0002","90","","93.48","0.001","90","","1109.79","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Chandra Kanta De; Nisha Mittal; Daniel Seidel","A Dual-Catalysis Approach to the Asymmetric Steglich Rearrangement and Catalytic Enantioselective Addition of O-Acylated Azlactones to Isoquinolines","Journal of the American Chemical Society","2011","133","","16802","16805","10.1021/ja208156z","","","1.54178","CuKα","","0.0308","0.0298","","","0.0728","0.0734","","","","","","1.006","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107010","10.79","0.002","19.669","0.005","12.151","0.003","90","","114.153","0.005","90","","2353","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H21 Br N2 O5 -","- C27 H21 Br N2 O5 -","- C108 H84 Br4 N8 O20 -","4","2","","Chandra Kanta De; Nisha Mittal; Daniel Seidel","A Dual-Catalysis Approach to the Asymmetric Steglich Rearrangement and Catalytic Enantioselective Addition of O-Acylated Azlactones to Isoquinolines","Journal of the American Chemical Society","2011","133","","16802","16805","10.1021/ja208156z","","","0.71073","MoKα","","0.079","0.0578","","","0.1283","0.1384","","","","","","1.005","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107011","8.5896","0.0005","24.1922","0.0013","13.1944","0.0007","90","","99.382","0.001","90","","2705.1","0.3","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl2 N3 O6 Ti -","- C24 H33 Cl2 N3 O6 Ti -","- C96 H132 Cl8 N12 O24 Ti4 -","4","1","","Hagai Glasner; Edit Y. Tshuva","A Marked Synergistic Effect in Antitumor Activity of Salan Titanium(IV) Complexes Bearing Two Differently Substituted Aromatic Rings","Journal of the American Chemical Society","2011","133","","16812","16814","10.1021/ja208219f","","","0.71073","MoKα","","0.0689","0.0603","","","0.1354","0.1398","","","","","","1.172","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107012","12.803","0.003","24.319","0.007","18.623","0.005","90","","90","","90","","5798","3","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","09184","","","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C132 H288 Cl24 Cu12 F72 N24 P12 S8 -","4","0.5","","Ritimukta Sarangi; Lei Yang; Stuart G. Winikoff; Laura Gagliardi; Christopher J. Cramer; William B. Tolman; Edward I. Solomon","X-ray Absorption Spectroscopic and Computational Investigation of a Possible S...S Interaction in the [Cu3S2]3+ Core","Journal of the American Chemical Society","2011","133","","17180","17191","10.1021/ja111323m","","","0.71073","MoKα","","0.0841","0.0494","","","0.1193","0.1403","","","","","","1.1","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107013","8.502","0.004","12.948","0.006","17.246","0.008","90","","90.711","0.005","90","","1898.4","1.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","0.71073","MoKα","","0.0709","0.0439","","","0.1145","0.1336","","","","","","1.035","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107014","15.318","0.0004","11.4327","0.0003","16.0022","0.0004","90","","117.601","0.001","90","","2483.48","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","4","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0425","0.0419","","","0.115","0.1159","","","","","","1.072","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107015","15.3223","0.0005","11.4272","0.0003","16.0413","0.0005","90","","117.824","0.002","90","","2483.96","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","4","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0702","0.0687","","","0.1715","0.1724","","","","","","1.099","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107016","6.8746","0.0002","12.4881","0.0004","30.4034","0.0009","90","","90","","90","","2610.15","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","2","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0264","0.0261","","","0.0692","0.0695","","","","","","1.054","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107017","8.5768","0.0004","15.0166","0.0006","18.426","0.0008","90","","90","","90","","2373.17","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0423","0.0369","","","0.0992","0.1123","","","","","","1.212","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107018","17.601","0.01","6.388","0.004","18.243","0.01","90","","114.99","0.008","90","","1859.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","0.71073","MoKα","","0.09","0.0468","","","0.1082","0.1368","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107019","8.5144","0.0002","5.8077","0.0002","13.3132","0.0004","90","","108.292","0.001","90","","625.06","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C30 H34 N2 O2 -","2","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0258","0.0257","","","0.0661","0.0663","","","","","","1.063","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107020","8.5149","0.001","5.8102","0.0007","13.3204","0.0016","90","","108.261","0.005","90","","625.82","0.13","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O -","- C15 H17 N O -","- C30 H34 N2 O2 -","2","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0279","0.0277","","","0.0711","0.0714","","","","","","1.069","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107021","13.5171","0.0003","12.5434","0.0003","25.7609","0.0005","90","","97.508","0.001","90","","4330.32","0.16","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 F6 N2 O10 Ru2 Sb -","- C38 H54 F6 N2 O10 Ru2 Sb -","- C152 H216 F24 N8 O40 Ru8 Sb4 -","4","0.5","","Mark Edwin Harvey; Djamaladdin G. Musaev; J. Du Bois","A Diruthenium Catalyst for Selective, Intramolecular Allylic C-H Amination: Reaction Development and Mechanistic Insight Gained through Experiment and Theory","Journal of the American Chemical Society","2011","133","","17207","17216","10.1021/ja203576p","","","0.71073","MoKα","","0.0215","0.019","","","0.0444","0.0456","","","","","","1.026","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107022","32.1203","0.001","10.609","0.0003","14.8811","0.0005","90","","107.915","0.003","90","","4825.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl N5 O5 Ru2 -","- C23 H23 Cl N5 O5 Ru2 -","- C184 H184 Cl8 N40 O40 Ru16 -","8","1","","Mark Edwin Harvey; Djamaladdin G. Musaev; J. Du Bois","A Diruthenium Catalyst for Selective, Intramolecular Allylic C-H Amination: Reaction Development and Mechanistic Insight Gained through Experiment and Theory","Journal of the American Chemical Society","2011","133","","17207","17216","10.1021/ja203576p","","","0.71073","MoKα","","0.0397","0.0304","","","0.0768","0.0826","","","","","","1.043","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107023","12.0884","0.0006","12.5779","0.0006","20.5574","0.0009","99.33","0.002","96.38","0.002","108.261","0.002","2884.9","0.2","110","2","110","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H101.5 B N P3 Ru -","- C62 H101.5 B N P3 Ru -","- C124 H203 B2 N2 P6 Ru2 -","2","1","","Yann Gloaguen; Gilles Alcaraz; Alban Petit; Eric Clot; Yannick Coppel; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium Agostic (Phosphinoaryl)borane Complexes: Multinuclear Solid-State and Solution NMR, X-ray, and DFT Studies","Journal of the American Chemical Society","2011","133","","17232","17238","10.1021/ja203828r","","","0.71073","MoKα","","0.0481","0.0345","","","0.0812","0.0889","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107024","17.343","0.0004","10.0641","0.0007","14.1425","0.0006","90","","92.541","0.005","90","","2466","0.2","110","2","110","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 B N P -","- C24 H29 B N P -","- C96 H116 B4 N4 P4 -","4","1","","Yann Gloaguen; Gilles Alcaraz; Alban Petit; Eric Clot; Yannick Coppel; Laure Vendier; Sylviane Sabo-Etienne","Ruthenium Agostic (Phosphinoaryl)borane Complexes: Multinuclear Solid-State and Solution NMR, X-ray, and DFT Studies","Journal of the American Chemical Society","2011","133","","17232","17238","10.1021/ja203828r","","","0.71073","MoKα","","0.0609","0.0435","","","0.1262","0.135","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107025","59.31","0.005","25.141","0.003","31.05","0.004","90","","90","","90","","46299","9","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C386.19 H350.19 Cl6.56 N30 Zn6 -","- C386.188 H350.188 Cl6.564 N30 Zn6 -","- C1544.75 H1400.75 Cl26.256 N120 Zn24 -","4","0.5","","Johannes K. Sprafke; Dmitry V. Kondratuk; Michael Wykes; Amber L. Thompson; Markus Hoffmann; Rokas Drevinskas; Wei-Hsin Chen; Chaw Keong Yong; Joakim Kärnbratt; Joseph E. Bullock; Marc Malfois; Michael R. Wasielewski; Bo Albinsson; Laura M. Herz; Donatas Zigmantas; David Beljonne; Harry L. Anderson","Belt-Shaped π-Systems: Relating Geometry to Electronic Structure in a Six-Porphyrin Nanoring","Journal of the American Chemical Society","2011","133","","17262","17273","10.1021/ja2045919","","","0.6889","Synchrotron","","0.1065","0.1047","","0.2626","0.2611","0.2626","","","","","","0.9235","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107026","11.572","0.007","19.432","0.01","14.691","0.008","90","","110.876","0.008","90","","3087","3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H23 B N6 O -","- C42 H23 B N6 O -","- C168 H92 B4 N24 O4 -","4","1","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.7107","MoKα","","","0.0707","","","","0.1936","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107027","10.977","0.003","17.802","0.004","38.101","0.009","90","","90","","90","","7445","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H27 B Br Cl N6 O -","- C48 H27 B Br Cl N6 O -","- C384 H216 B8 Br8 Cl8 N48 O8 -","8","2","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.71073","MoKα","","0.2162","0.0845","","","0.2067","0.2761","","","","","","0.988","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107028","10.304","0.006","17.641","0.01","16.769","0.01","90","","91.985","0.008","90","","3046","3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H23 B N6 O -","- C42 H23 B N6 O -","- C168 H92 B4 N24 O4 -","4","1","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.7107","MoKα","","","0.0667","","","","0.1224","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107029","9.549","0.0017","12.04","0.002","27.566","0.005","90","","90","","90","","3169.3","1","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TFM4031","","","- C17 H27 N O -","- C17 H27 N O -","- C136 H216 N8 O8 -","8","1","","Todd F. Markle; Ian J. Rhile; James M. Mayer","Kinetic Effects of Increased Proton Transfer Distance on Proton-Coupled Oxidations of Phenol-Amines","Journal of the American Chemical Society","2011","133","","17341","17352","10.1021/ja2056853","","","0.71073","MoKα","","0.1381","0.0698","","","0.142","0.166","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107030","8.8669","0.0005","19.9508","0.001","10.3408","0.0005","90","","92.519","0.003","90","","1827.54","0.16","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C86 H116 Fe2 N8 -","2","0.5","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.71073","MoKα","","0.0632","0.0417","","","0.0904","0.0987","","","","","","1.026","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107031","23.764","0.005","14.825","0.003","21.812","0.004","90","","107.52","0.03","90","","7328","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H58 Fe N4 -","- C41 H58 Fe N4 -","- C328 H464 Fe8 N32 -","8","2","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.9782","Synchrotron","","0.078","0.0763","","","0.2243","0.2304","","","","","","1.118","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107032","29.16","0.004","14.632","0.0019","20.85","0.003","90","","94.477","0.005","90","","8869","2","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C344 H464 Fe8 N32 -","8","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","0.71073","MoKα","","0.0892","0.0572","","","0.1434","0.1564","","","","","","1.079","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107033","29.2765","0.0004","14.6949","0.0002","20.8797","0.0003","90","","94.904","0.001","90","","8949.9","0.2","253","2","253","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C344 H464 Fe8 N32 -","8","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","1.54178","CuKα","","0.0692","0.0629","","","0.185","0.1897","","","","","","1.189","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107034","28.832","0.002","14.4148","0.0012","20.7661","0.0014","90","","94.196","0.006","90","","8607.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 Fe N4 -","- C43 H58 Fe N4 -","- C344 H464 Fe8 N32 -","8","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Zoë R. Turner; Emil Lobkovsky; Serena DeBeer; Karl Wieghardt; Paul J. Chirik","Synthesis and Electronic Structure Determination of N-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior","Journal of the American Chemical Society","2011","133","","17353","17369","10.1021/ja205736m","","","1.54178","CuKα","","0.1911","0.1711","","","0.4043","0.4151","","","","","","1.076","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107035","10.0994","0.0007","13.1141","0.0009","18.8097","0.0013","90","","93.723","0.0008","90","","2486","0.3","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C96 H144 O40 -","8","4","","Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman","Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes","Journal of the American Chemical Society","2011","133","","17494","17503","10.1021/ja207727h","","","0.71073","MoKα","","0.0461","0.038","","","0.0865","0.0904","","","","","","1.029","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107036","26.422","0.007","26.422","0.007","7.967","0.002","90","","90","","120","","4817","2","88","2","88","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C20 H23 F3 O6 -","- C20 H23 F3 O6 -","- C180 H207 F27 O54 -","9","1","","Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman","Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes","Journal of the American Chemical Society","2011","133","","17494","17503","10.1021/ja207727h","","","0.71073","MoKα","","0.0614","0.0394","","","0.0784","0.0866","","","","","","1.054","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107037","13.2305","0.0009","19.0703","0.0016","26.5694","0.0017","78.993","0.003","83.285","0.003","82.354","0.003","6493","0.8","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C67.75 H61.5 B Cl3.5 F4 N4 O2 P2 Rh -","- C67.75 H61.5 B Cl3.5 F4 N4 O2 P2 Rh -","- C271 H246 B4 Cl14 F16 N16 O8 P8 Rh4 -","4","2","","Paweł Dydio; Christophe Rubay; Tendai Gadzikwa; Martin Lutz; Joost N. H. Reek","""Cofactor""-Controlled Enantioselective Catalysis","Journal of the American Chemical Society","2011","133","","17176","17179","10.1021/ja208589c","","","0.71073","MoKα","","0.0995","0.0874","","","0.2175","0.2271","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107038","10.884","0.005","12.049","0.006","14.338","0.007","90","","109.552","0.007","90","","1771.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Cu N3 O4 -","- C10 H5 Cu N3 O4 -","- C40 H20 Cu4 N12 O16 -","4","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","0.71073","MoKα","","0.0932","0.0718","","","0.2014","0.2124","","","","","","1.047","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107039","19.132","0.004","19.132","0.004","37.505","0.015","90","","90","","120","","11889","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C252 H162 Cu18 N18 O90 -","18","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","0.71073","MoKα","","0.1061","0.0618","","","0.1299","0.1354","","","","","","1.01","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107040","18.456","0.016","18.456","0.016","34.59","0.03","90","","90","","120","","10204","15","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C252 H162 Cu18 N18 O90 -","18","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","1.54178","CuKα","","0.161","0.1076","","","0.2449","0.2642","","","","","","1.064","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107041","12.9805","0.0007","14.104","0.0009","25.6051","0.0013","90","","90","","90","","4687.7","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C112 H72 Cu8 N8 O40 -","8","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","1.54178","CuKα","","0.0785","0.0626","","","0.1742","0.1825","","","","","","1.089","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107042","10.9427","0.0005","15.7965","0.0007","32.9696","0.0012","90","","90","","90","","5699","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(tBuPCP)PdOH][HOCH2CH2F]","(1-FE)","","- C26 H49.38 F0.63 O2 P2 Pd -","- C26 H49.34 F0.66 O2 P2 Pd -","- C208 H394.72 F5.28 O16 P16 Pd8 -","8","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.1352","0.0804","","","0.1444","0.1648","","","","","","1.104","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107043","10.6351","0.0002","13.2125","0.0002","21.314","0.0003","90","","103.081","0.001","90","","2917.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(tBuPCP)PdOC6H5","(5)","","- C30 H48 O P2 Pd -","- C30 H48 O P2 Pd -","- C120 H192 O4 P8 Pd4 -","4","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.0347","0.0267","","","0.0593","0.0619","","","","","","1.036","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107044","25.584","0.002","16.592","0.0016","12.069","0.0012","90","","99.808","0.004","90","","5048.3","0.8","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(?-tBuPCHP)Pd]2","(6)","","- C48 H88 P4 Pd2 -","- C48 H88 P4 Pd2 -","- C192 H352 P16 Pd8 -","4","0.5","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.2064","0.0766","","","0.1368","0.1731","","","","","","0.88","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107045","11.2995","0.0003","11.457","0.0003","25.5594","0.0007","87.864","0.002","89.579","0.001","68.387","0.001","3074.03","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(tBuPCP)PdOCH2C(CH3)3","(7)","","- C29 H54 O P2 Pd -","- C29 H54 O P2 Pd -","- C116 H216 O4 P8 Pd4 -","4","2","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.0948","0.0507","","","0.0767","0.0832","","","","","","1.032","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107046","20.9157","0.0019","12.4921","0.0011","10.8131","0.0009","90","","102.562","0.003","90","","2757.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(tBuPCP)PdOCH2CH2F","(10)","","- C26 H47 F O P2 Pd -","- C26 H47 F O P2 Pd -","- C104 H188 F4 O4 P8 Pd4 -","4","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.0538","0.046","","","0.1008","0.1062","","","","","","1.096","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107047","12.474","0.002","6.4401","0.0012","15.601","0.003","90","","109.188","0.003","90","","1183.7","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","1","","Kuo-Chun Tang; Ming-Jen Chang; Tsung-Yi Lin; Hsiao-An Pan; Tzu-Chien Fang; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Fine Tuning the Energetics of Excited-State Intramolecular Proton Transfer (ESIPT): White Light Generation in A Single ESIPT System","Journal of the American Chemical Society","2011","133","","17738","17745","10.1021/ja2062693","","x-ray","0.71073","MoKα","","0.1047","0.0571","","","0.1488","0.1877","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107048","13.3606","0.0002","13.8311","0.0002","21.853","0.0004","77.852","0.001","74.896","0.001","77.025","0.001","3749.34","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C154.8 H121.8 B4 F60 N8 O6 Si4 -","- C154.8 H121.8 B4 F60 N8 O6 Si4 -","- C154.8 H121.8 B4 F60 N8 O6 Si4 -","1","0.5","","Rajendra S. Ghadwal; Ramachandran Azhakar; Herbert W. Roesky; Kevin Pröpper; Birger Dittrich; Susanne Klein; Gernot Frenking","Donor-Acceptor-Stabilized Silicon Analogue of an Acid Anhydride","Journal of the American Chemical Society","2011","133","","17552","17555","10.1021/ja206702e","","","1.54178","CuKα","","0.0617","0.0515","","","0.1401","0.1522","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107049","13.003","0.002","10.798","0.002","18.699","0.004","90","","91.086","0.003","90","","2625","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Cl3 F24 Ir2 N4 O10 P4 -","- C28 H41 Cl3 F24 Ir2 N4 O10 P4 -","- C56 H82 Cl6 F48 Ir4 N8 O20 P8 -","2","0.5","","Thomas S. Teets; Daniel G. Nocera","Mechanistic Studies of O2 Reduction Effected by Group 9 Bimetallic Hydride Complexes","Journal of the American Chemical Society","2011","133","","17796","17806","10.1021/ja2069196","","","0.71073","MoKα","","0.0645","0.0493","","","0.1175","0.1216","","","","","","1.079","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107050","12.4449","0.0013","18.0315","0.0019","12.9712","0.0013","90","","117.313","0.002","90","","2586.2","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H40 Cl2 F24 Ir2 N4 O10 P4 -","- C28 H40 Cl2 F24 Ir2 N4 O10 P4 -","- C56 H80 Cl4 F48 Ir4 N8 O20 P8 -","2","1","","Thomas S. Teets; Daniel G. Nocera","Mechanistic Studies of O2 Reduction Effected by Group 9 Bimetallic Hydride Complexes","Journal of the American Chemical Society","2011","133","","17796","17806","10.1021/ja2069196","","","0.71073","MoKα","","0.0434","0.0353","","","0.076","0.0797","","","","","","0.995","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107051","11.091","0.0016","11.091","0.0016","19.364","0.004","90","","90","","120","","2062.8","0.6","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-88B(2OH)","","","- C48 H38 Fe6 O44 -","- C48 H12 Fe6 O44 -","- C48 H12 Fe6 O44 -","1","0.0416667","","Patricia Horcajada; Fabrice Salles; Stefan Wuttke; Thomas Devic; Daniela Heurtaux; Guillaume Maurin; Alexandre Vimont; Marco Daturi; Olivier David; Emmanuel Magnier; Norbert Stock; Yaroslav Filinchuk; Dmitry Popov; Christian Riekel; Gérard Férey; Christian Serre","How Linker's Modification Controls Swelling Properties of Highly Flexible Iron(III) Dicarboxylates MIL-88","Journal of the American Chemical Society","2011","133","","17839","17847","10.1021/ja206936e","","","0.9613","synchrotron","","0.1883","0.1769","","","0.4176","0.4234","","","","","","1.834","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107052","14.741","0.002","14.741","0.002","17.135","0.003","90","","90","","120","","3224.5","0.8","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","MIL-88B(4CH3)","","","- C72 H82 Fe6 O32 -","- C72 H72 Fe6 O32 -","- C72 H72 Fe6 O32 -","1","0.0416667","","Patricia Horcajada; Fabrice Salles; Stefan Wuttke; Thomas Devic; Daniela Heurtaux; Guillaume Maurin; Alexandre Vimont; Marco Daturi; Olivier David; Emmanuel Magnier; Norbert Stock; Yaroslav Filinchuk; Dmitry Popov; Christian Riekel; Gérard Férey; Christian Serre","How Linker's Modification Controls Swelling Properties of Highly Flexible Iron(III) Dicarboxylates MIL-88","Journal of the American Chemical Society","2011","133","","17839","17847","10.1021/ja206936e","","","0.9613","synchrotron","","0.2805","0.1924","","","0.4445","0.4757","","","","","","1.264","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107053","10.434","0.004","18.744","0.007","18.984","0.007","93.744","0.006","104.85","0.006","100.939","0.006","3498","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H64 B F24 N4 O2 Y -","- C70 H64 B F24 N4 O2 Y -","- C140 H128 B2 F48 N8 O4 Y2 -","2","1","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.1707","0.0689","","","0.1229","0.1513","","","","","","0.852","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107054","11.855","0.004","13.2","0.004","16.018","0.005","67.933","0.004","70.455","0.005","81.338","0.005","2188.2","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 B F20 Lu N4 Si -","- C40 H40 B F20 Lu N4 Si -","- C80 H80 B2 F40 Lu2 N8 Si2 -","2","1","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.06","0.048","","","0.0909","0.094","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107055","12.728","0.0004","13.8763","0.0005","17.1508","0.0006","69.4343","0.0012","71.3166","0.0013","81.3633","0.0013","2684.21","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H104 B2 F48 Lu2 N8 O2 -","- C96 H104 B2 F48 Lu2 N8 O2 -","- C96 H104 B2 F48 Lu2 N8 O2 -","1","0.5","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.1017","0.0506","","","0.0873","0.0986","","","","","","0.801","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107056","12.7943","0.0016","13.8697","0.0017","17.211","0.002","69.5007","0.0018","70.668","0.0018","81.4178","0.0019","2697.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H106 B2 F48 Lu2 N8 O2 -","- C96 H106 B2 F48 Lu2 N8 O2 -","- C96 H106 B2 F48 Lu2 N8 O2 -","1","0.5","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.048","0.0394","","","0.0757","0.0787","","","","","","1.032","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107057","12.8104","0.0011","13.9351","0.0012","17.2719","0.0014","69.3026","0.0013","70.1548","0.0014","80.9762","0.0014","2710.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H106 B2 F48 N8 O2 Y2 -","- C96 H106 B2 F48 N8 O2 Y2 -","- C96 H106 B2 F48 N8 O2 Y2 -","1","0.5","","Ajay Venugopal; Waldemar Fegler; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand","Journal of the American Chemical Society","2011","133","","17574","17577","10.1021/ja207180x","","","0.71073","MoKα","","0.0758","0.0428","","","0.0797","0.0856","","","","","","0.832","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107058","16.411","0.006","16.426","0.006","25.192","0.009","90","","94.4","0.02","90","","6771","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73 H98 N4 Sn2 -","- C73 H98 N4 Sn2 -","- C292 H392 N16 Sn8 -","4","1","","Shabana Khan; Reent Michel; Johannes M. Dieterich; Ricardo A. Mata; Herbert W. Roesky; Jean-Philippe Demers; Adam Lange; Dietmar Stalke","Preparation of RSn(I)-Sn(I)R with Two Unsymmetrically Coordinated Sn(I) Atoms and Subsequent Gentle Activation of P4","Journal of the American Chemical Society","2011","133","","17889","17894","10.1021/ja207538g","","","0.71073","MoKα","","0.0358","0.0257","","","0.0561","0.0609","","","","","","1.042","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107059","14.644","0.002","17.463","0.002","26.602","0.002","90","","104.48","0.02","90","","6586.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H86 N4 P4 Sn2 -","- C68 H86 N4 P4 Sn2 -","- C272 H344 N16 P16 Sn8 -","4","1","","Shabana Khan; Reent Michel; Johannes M. Dieterich; Ricardo A. Mata; Herbert W. Roesky; Jean-Philippe Demers; Adam Lange; Dietmar Stalke","Preparation of RSn(I)-Sn(I)R with Two Unsymmetrically Coordinated Sn(I) Atoms and Subsequent Gentle Activation of P4","Journal of the American Chemical Society","2011","133","","17889","17894","10.1021/ja207538g","","","0.71073","MoKα","","0.0541","0.0374","","","0.0871","0.0981","","","","","","1.072","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107060","19.25","0.08","9.01","0.04","21.8","0.09","90","","115.04","0.02","90","","3426","3","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 F12 N7 P2 Ru -","- C30 H26 F12 N7 P2 Ru -","- C120 H104 F48 N28 P8 Ru4 -","4","1","","Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi","Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates","Journal of the American Chemical Society","2011","133","","17901","17911","10.1021/ja207572z","","","0.7107","MoKα","","","0.1016","","","","0.2389","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107061","11.343","0.002","12.621","0.003","12.733","0.003","72.787","0.006","77.874","0.006","74.914","0.006","1663.6","0.6","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 F12 N8 O P2 Ru -","- C28 H24 F12 N9 O P2 Ru -","- C56 H48 F24 N18 O2 P4 Ru2 -","2","1","","Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi","Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates","Journal of the American Chemical Society","2011","133","","17901","17911","10.1021/ja207572z","","","0.7107","MoKα","","","0.0548","","","","0.1466","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107062","19.373","0.003","8.8414","0.0011","21.969","0.003","90","","114.923","0.0004","90","","3412.5","0.8","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 F12 N8 O P2 Ru -","- C30 H26 F12 N7 O P2 Ru -","- C120 H104 F48 N28 O4 P8 Ru4 -","4","1","","Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi","Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates","Journal of the American Chemical Society","2011","133","","17901","17911","10.1021/ja207572z","","","0.7107","MoKα","","","0.0528","","","","0.138","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107063","9.1662","0.001","9.2425","0.001","9.8195","0.0011","90","","97.343","0.002","90","","825.07","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C36 H38 N2 O6 S2 -","2","1","","Xu Tian; Carlo Cassani; Yankai Liu; Antonio Moran; Atsushi Urakawa; Patrizia Galzerano; Elena Arceo; Paolo Melchiorre","Diastereodivergent Asymmetric Sulfa-Michael Additions of α-Branched Enones using a Single Chiral Organic Catalyst","Journal of the American Chemical Society","2011","133","","17934","17941","10.1021/ja207847p","","","0.71073","MoKα","","0.0407","0.0362","","","0.0929","0.0966","","","","","","1.033","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107064","7.2884","0.0002","7.6804","0.0003","29.2456","0.001","90","","90","","90","","1637.11","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Xu Tian; Carlo Cassani; Yankai Liu; Antonio Moran; Atsushi Urakawa; Patrizia Galzerano; Elena Arceo; Paolo Melchiorre","Diastereodivergent Asymmetric Sulfa-Michael Additions of α-Branched Enones using a Single Chiral Organic Catalyst","Journal of the American Chemical Society","2011","133","","17934","17941","10.1021/ja207847p","","","0.71073","MoKα","","0.0422","0.0366","","","0.095","0.1025","","","","","","1.141","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107065","17.691","0.002","17.691","0.002","10.5617","0.0012","90","","90","","120","","2862.7","0.6","195","2","195","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Cl N2 O4 Zn -","- C11 H15 Cl N2 O4 Zn -","- C66 H90 Cl6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.043","0.0384","","","0.1154","0.1203","","","","","","1.017","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107066","17.768","0.002","17.768","0.002","10.4796","0.0011","90","","90","","120","","2865.2","0.5","195","2","195","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Br N2 O4 Zn -","- C11 H15 Br N2 O4 Zn -","- C66 H90 Br6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0803","0.0618","","","0.1928","0.2133","","","","","","1.017","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107067","17.703","0.002","17.703","0.002","10.585","0.005","90","","90","","120","","2872.9","1.4","195","2","195","2","","","","","","","synthesized","6","P 65","P 65","170","","","","- C11 H15 Cl N2 O4 Zn -","- C11 H15 Cl N2 O4 Zn -","- C66 H90 Cl6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0532","0.0469","","","0.1325","0.1387","","","","","","1.053","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107068","17.7786","0.0007","17.7786","0.0007","10.4868","0.0018","90","","90","","120","","2870.6","0.5","195","2","195","2","","","","","","","synthesized","6","P 65","P 65","170","","","","- C11 H15 Br N2 O4 Zn -","- C11 H15 Br N2 O4 Zn -","- C66 H90 Br6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.075","0.0583","","","0.1731","0.1859","","","","","","1.046","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107069","17.7661","0.0015","17.7661","0.0015","10.5104","0.0016","90","","90","","120","","2873","0.6","353","2","353","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Cl N2 O2 Zn -","- C11 H15 Cl N2 O2 Zn -","- C66 H90 Cl6 N12 O12 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0915","0.0642","","","0.147","0.1665","","","","","","1.005","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107070","17.859","0.001","17.859","0.001","10.5031","0.0012","90","","90","","120","","2901.1","0.4","313","2","313","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Br N2 O2 Zn -","- C11 H15 Br N2 O2 Zn -","- C66 H90 Br6 N12 O12 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.06","0.0573","","","0.1512","0.1532","","","","","","1.071","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107071","15.023","0.003","17.813","0.003","30.48","0.005","90","","90","","90","","8157","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","10129","PPN[CupyN2ipr2OH]","","- C91 H83 Cu N4 O9 P2 -","- C79 H91 Cu N4 O6 P2 -","- C316 H364 Cu4 N16 O24 P8 -","4","1","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.0928","0.0542","","","0.1146","0.1255","","","","","","0.956","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107072","15.0982","0.0016","17.8967","0.0019","30.531","0.003","90","","90","","90","","8249.7","1.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10173s","PPN[CupyN2ipr2Cl]","","- C87 H75 Cl Cu N4 O7 P2 -","- C79 H91 Cl Cu N4 O5 P2 -","- C316 H364 Cl4 Cu4 N16 O20 P8 -","4","1","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.0812","0.0483","","","0.1094","0.1215","","","","","","0.966","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107073","14.646","0.005","15.53","0.005","38.561","0.012","90","","92.899","0.005","90","","8760","5","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","11012","(CupyN2ipr2)(CH3CN)","","- C52 H62 Cu N4 O2 -","- C40 H48 Cu N4 O2 -","- C320 H384 Cu8 N32 O16 -","8","2","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.1083","0.0734","","","0.2043","0.2174","","","","","","1.109","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107074","36.363","","15.363","","15.08","","90","","90","","90","","8424.36","","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","11112s","(CupyN2ipr2)(H2O)","","- C31 H39 Cu N3 O2 -","- C62 H78 Cu2 N6 O6 -","- C248 H312 Cu8 N24 O24 -","4","0.5","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.063","0.0474","","","0.1361","0.1425","","","","","","1.083","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107075","14.9697","0.0005","13.7277","0.0004","16.5604","0.0012","90","","112.163","0.008","90","","3151.7","0.3","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 F6 N2 O2 Pd -","- C33 H32 F6 N2 O2 Pd -","- C132 H128 F24 N8 O8 Pd4 -","4","1","","Joy M. Racowski; Nicholas D. Ball; Melanie S. Sanford","C-H Bond Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2011","133","","18022","18025","10.1021/ja2051099","","","1.54187","CuKα","","0.0984","0.0729","","","0.1909","0.2483","","","","","","1.16","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107076","14.863","0.0003","13.6599","0.0003","20.9345","0.0015","90","","103.885","0.007","90","","4126.1","0.3","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 Cl3 F3 N2 Pd -","- C45 H46 Cl3 F3 N2 Pd -","- C180 H184 Cl12 F12 N8 Pd4 -","4","1","","Joy M. Racowski; Nicholas D. Ball; Melanie S. Sanford","C-H Bond Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2011","133","","18022","18025","10.1021/ja2051099","","","1.54178","CuKα","","0.0406","0.0392","","","0.0958","0.0964","","","","","","1.093","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107077","10.386","0.011","18.76","0.02","27.36","0.03","90","","99.125","0.018","90","","5263","10","253","2","253","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 N O2 Os P2 Si -","- C57 H55 Cl2 N O2 Os P2 Si -","- C228 H220 Cl8 N4 O8 Os4 P8 Si4 -","4","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0307","0.0226","","","0.048","0.0499","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107078","12.058","0.001","12.4671","0.001","14.8212","0.0012","83.779","0.002","72.02","0.002","75.575","0.002","2051.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H44 Cl2 N O2 Os P2 Si -","- C45 H44 Cl2 N O2 Os P2 Si -","- C90 H88 Cl4 N2 O4 Os2 P4 Si2 -","2","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0862","0.0613","","","0.0993","0.1069","","","","","","1.002","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107079","10.1908","0.001","17.7202","0.0018","24.634","0.003","90","","95.552","0.001","90","","4427.6","0.8","173.15","","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Cl2 N O Os P2 Si -","- C48 H43 Cl2 N O Os P2 Si -","- C192 H172 Cl8 N4 O4 Os4 P8 Si4 -","4","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0489","0.0315","","","0.0591","0.0621","","","","","","1.019","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107080","21.2492","0.001","10.049","0.0005","39.926","0.002","90","","99.803","0.001","90","","8401","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H37 Cl7 O Os P2 -","- C43.5 H37 Cl7 O Os P2 -","- C348 H296 Cl56 O8 Os8 P16 -","8","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0323","0.0268","","","0.0618","0.0637","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107081","10.0996","0.0007","18.2847","0.0012","23.7928","0.0016","90","","94.946","0.001","90","","4377.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cl3 O Os P2 Si -","- C48 H50 Cl3 O Os P2 Si -","- C192 H200 Cl12 O4 Os4 P8 Si4 -","4","1","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MoKα","","0.0744","0.0368","","","0.0549","0.0591","","","","","","1.029","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107082","26.725","0.004","10.8721","0.0018","26.968","0.005","90","","91.165","0.002","90","","7834","2","100","2","100.15","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C42.75 H36.5 Cl3.5 N O3 Os P2 -","- C42.75 H35 Cl3.5 N O3 Os P2 -","- C342 H280 Cl28 N8 O24 Os8 P16 -","8","2","","Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia","Electrophilic Substitution Reactions of Metallabenzynes","Journal of the American Chemical Society","2011","133","","18350","18360","10.1021/ja207315h","","","0.71073","MOKα","","0.0568","0.0496","","","0.1128","0.116","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107083","11.1701","0.0002","22.4204","0.0003","16.2299","0.0002","90","","104.591","0.003","90","","3933.5","0.11","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 B N9 O6 P S W -","- C34 H49 B N9 O6 P S W -","- C136 H196 B4 N36 O24 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0421","0.0274","","","0.0809","0.097","","","","","","0.7","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107084","25.1379","0.0004","19.8266","0.0003","7.9009","0.0001","90","","90","","90","","3937.8","0.1","153","2","153","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C30 H43 B Cl3 N9 O6 P S W -","- C30 H43 B Cl3 N9 O6 P S W -","- C120 H172 B4 Cl12 N36 O24 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0299","0.024","","","0.0707","0.0792","","","","","","0.634","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107085","9.6277","0.0003","27.2822","0.0007","15.4514","0.0004","90","","101.055","0.001","90","","3983.23","0.19","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 B Cl6 N9 O5 P S W -","- C29 H37 B Cl6 N9 O5 P S W -","- C116 H148 B4 Cl24 N36 O20 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0409","0.029","","","0.0873","0.0997","","","","","","0.741","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107086","17.156","0.001","23.184","0.002","17.542","0.001","90","","106.337","0.003","90","","6695.5","0.8","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H40.5 B N9 O3 P W -","- C29.5 H40.5 B N9 O3 P W -","- C236 H324 B8 N72 O24 P8 W8 -","8","2","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0847","0.0516","","","0.1285","0.1515","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107087","27.048","0.006","14.838","0.003","11.731","0.003","90","","101.587","0.003","90","","4612.2","1.8","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H44 F14 N2 O4 -","- C46 H44 F14 N2 O4 -","- C184 H176 F56 N8 O16 -","4","1","","Wan Yue; Jing Gao; Yan Li; Wei Jiang; Simone Di Motta; Fabrizia Negri; Zhaohui Wang","One-Pot Synthesis of Stable NIR Tetracene Diimides via Double Cross-Coupling","Journal of the American Chemical Society","2011","133","","18054","18057","10.1021/ja207630a","","","0.71073","MoKα","","0.0602","0.0571","","","0.1465","0.1496","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107088","10.3554","0.0005","12.125","0.0006","18.9776","0.0009","93.287","0.002","95.883","0.002","110.272","0.002","2212.41","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 Cr2 N8 -","- C46 H48 Cr2 N8 -","- C92 H96 Cr4 N16 -","2","1","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0521","0.0381","","","0.1088","0.1168","","","","","","1.104","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107089","15.506","0.002","15.506","0.002","23.508","0.004","90","","90","","90","","5652.2","1.4","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C34 H36 Co2 N8 -","- C34 H36 Co2 N8 -","- C272 H288 Co16 N64 -","8","0.5","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0328","0.0282","","","0.0617","0.0638","","","","","","1.002","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107090","15.4762","0.0009","15.4762","0.0009","23.6634","0.0014","90","","90","","90","","5667.7","0.6","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C34 H36 N8 Ni2 -","- C34 H36 N8 Ni2 -","- C272 H288 N64 Ni16 -","8","0.5","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0559","0.0385","","","0.0846","0.0924","","","","","","0.998","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107091","15.051","0.001","9.7","0.001","27.781","0.003","90","","93.933","0.003","90","","4046.3","0.7","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H27 Ag F15 O2 P -","- C38 H27 Ag F15 O2 P -","- C152 H108 Ag4 F60 O8 P4 -","4","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71069","MoKα","","0.1421","0.0894","","","0.1878","0.2167","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107092","14.586","0.002","14.058","0.002","16.988","0.002","90","","102.1","0.04","90","","3406","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C67 H63 F24 O2 P2 Rh -","- C67 H63 F24 O2 P2 Rh -","- C134 H126 F48 O4 P4 Rh2 -","2","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71073","MoKα","","0.0877","0.0716","","","0.1397","0.1463","","","","","","1.201","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107093","12.9845","0.0003","13.4713","0.0004","17.6974","0.0007","91.562","0.002","95.931","0.002","116.391","0.002","2748.81","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H33 Cl3 F24 P2 Pt -","- C52 H31 Cl F24 P2 Pt -","- C104 H62 Cl2 F48 P4 Pt2 -","2","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71069","MoKα","","0.0431","0.0329","","","0.0653","0.0676","","","","","","1.059","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107094","19.7185","0.0005","9.8541","0.0002","19.9184","0.0007","90","","91.13","0.001","90","","3869.55","0.19","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Cl2 F12 P Pt -","- C36 H27 Cl2 F12 P Pt -","- C144 H108 Cl8 F48 P4 Pt4 -","4","1","","Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready","Chiral Allene-Containing Phosphines in Asymmetric Catalysis","Journal of the American Chemical Society","2011","133","","18066","18069","10.1021/ja207748r","","","0.71069","MoKα","","0.0778","0.0471","","","0.1167","0.135","","","","","","0.946","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107095","11.9292","0.0012","13.7023","0.0013","17.4694","0.0017","98.876","0.003","101.348","0.003","114.727","0.004","2451.6","0.4","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H116 P4 Ru2 -","- C120 H116 P4 Ru2 -","- C120 H116 P4 Ru2 -","1","0.5","","Mark A. Fox; Boris Le Guennic; Rachel L. Roberts; Daniel A. Brue; Dmitry S. Yufit; Judith A. K. Howard; Gabriele Manca; Jean-François Halet; František Hartl; Paul J. Low","Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium Radical Cations Featuring Diethynylaromatic Bridging Ligands","Journal of the American Chemical Society","2011","133","","18433","18446","10.1021/ja207827m","","","0.71073","MoKα","","0.1851","0.0769","","","0.1695","0.241","","","","","","0.993","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107096","12.2385","0.0003","22.4341","0.0005","13.0592","0.0003","90","","99.025","0.001","90","","3541.14","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H86 O2 P4 Ru2 -","- C84 H86 O2 P4 Ru2 -","- C168 H172 O4 P8 Ru4 -","2","0.5","","Mark A. Fox; Boris Le Guennic; Rachel L. Roberts; Daniel A. Brue; Dmitry S. Yufit; Judith A. K. Howard; Gabriele Manca; Jean-François Halet; František Hartl; Paul J. Low","Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium Radical Cations Featuring Diethynylaromatic Bridging Ligands","Journal of the American Chemical Society","2011","133","","18433","18446","10.1021/ja207827m","","","0.71073","Mo-Kα","","0.0383","0.0302","","","0.0762","0.0819","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107097","10.7459","0.0004","16.2778","0.0006","17.4964","0.0007","94.685","0.002","99.974","0.002","95.389","0.002","2985.9","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H57 B Cl F20 O P Zr -","- C64 H57 B Cl F20 O P Zr -","- C128 H114 B2 Cl2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.1008","0.0761","","","0.2049","0.2189","","","","","","1.145","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107098","10.7416","0.0001","13.5111","0.0002","17.9314","0.0002","90","","99.51","0.001","90","","2566.63","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H48 B F20 O P Zr -","- C56 H48 B F20 O P Zr -","- C112 H96 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0389","0.0327","","","0.07","0.0735","","","","","","1.045","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107099","11.4617","0.0006","17.7678","0.0008","22.7861","0.001","90","","100.121","0.002","90","","4568.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H32 B F20 O3 P Zr -","- C49 H32 B F20 O3 P Zr -","- C196 H128 B4 F80 O12 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.069","0.0643","","","0.147","0.1507","","","","","","1.021","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107100","10.4215","0.0015","15.429","0.002","17.406","0.003","90.117","0.007","89.619","0.007","93.56","0.007","2793.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H52 B F20 O3 P Zr -","- C59 H52 B F20 O3 P Zr -","- C118 H104 B2 F40 O6 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0385","0.032","","","0.084","0.0874","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107101","10.5975","0.0006","14.9161","0.0008","19.468","0.0011","102.343","0.003","97.646","0.004","107.362","0.003","2804.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H54 B F20 O3 P Zr -","- C59 H54 B F20 O3 P Zr -","- C118 H108 B2 F40 O6 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0677","0.0451","","","0.1112","0.129","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107102","10.6168","0.0004","15.6577","0.0006","34.2381","0.0012","90","","94.068","0.002","90","","5677.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 B F20 O2 P Zr -","- C59 H52 B F20 O2 P Zr -","- C236 H208 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0597","0.0462","","","0.1012","0.1064","","","","","","1.101","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107103","10.9035","0.0002","29.5252","0.0005","19.8647","0.0004","90","","94.231","0.001","90","","6377.6","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H59.5 B Cl0.5 F20 O P Zr -","- C69 H59.5 B Cl0.5 F20 O P Zr -","- C276 H238 B4 Cl2 F80 O4 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0743","0.0448","","","0.1025","0.1171","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107104","10.4747","0.0004","15.5156","0.0005","17.3448","0.0006","89.757","0.001","89.532","0.002","86.53","0.001","2813.62","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H56 B F20 O P Zr -","- C60 H56 B F20 O P Zr -","- C120 H112 B2 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0286","0.0256","","","0.0653","0.0669","","","","","","1.036","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107105","10.7053","0.0002","16.7854","0.0003","18.9334","0.0004","64.47","0.001","85.548","0.001","85.835","0.001","3057.84","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H56 B Cl4 F20 O P Zr -","- C60 H56 B Cl4 F20 O P Zr -","- C120 H112 B2 Cl8 F40 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0312","0.028","","","0.0725","0.0744","","","","","","1.054","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107106","10.7652","0.0012","16.937","0.0017","17.8214","0.0019","93.034","0.006","102.341","0.006","95.1","0.006","3153.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H64 B Cl F21 O P Zr -","- C67 H64 B Cl F21 O P Zr -","- C134 H128 B2 Cl2 F42 O2 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.1401","0.129","","","0.2918","0.298","","","","","","1.217","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107107","17.4078","0.0005","16.4785","0.0005","17.7185","0.0005","90","","104.025","0.002","90","","4931.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 B F20 O2 P Zr -","- C52 H40 B F20 O2 P Zr -","- C208 H160 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.1563","0.1523","","","0.3393","0.3408","","","","","","1.225","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107108","10.6515","0.0002","16.8318","0.0003","17.9615","0.0003","95.449","0.001","104.148","0.001","93.935","0.001","3094.32","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H64.5 B Cl0.5 F20 O2 P Zr -","- C66 H64.5 B Cl0.5 F20 O2 P Zr -","- C132 H129 B2 Cl F40 O4 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0485","0.0378","","","0.0972","0.1035","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107109","19.7552","0.0003","16.0962","0.0002","15.3579","0.0002","90","","90","","90","","4883.56","0.12","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C52 H42 B F20 O2 P Zr -","- C52 H42 B F20 O2 P Zr -","- C208 H168 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.027","0.0246","","","0.0596","0.0612","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107110","10.7058","0.0003","16.8021","0.0005","17.3832","0.0005","93.162","0.002","100.509","0.002","95.665","0.002","3050.86","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H62 B F20 O2 P Zr -","- C62 H62 B F20 O2 P Zr -","- C124 H124 B2 F40 O4 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0616","0.0491","","","0.1244","0.1307","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107111","8.6735","0.0003","22.8862","0.0008","21.9481","0.0008","90","","93.156","0.002","90","","4350.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 La O2 P -","- C36 H56 La O2 P -","- C144 H224 La4 O8 P4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0269","0.0233","","","0.0571","0.0587","","","","","","1.034","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107112","10.6578","0.0003","16.5432","0.0005","17.6072","0.0006","96.235","0.001","100.157","0.001","94.86","0.001","3020.51","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H58.5 B Cl0.5 F20 O2 P Zr -","- C64 H58.5 B Cl0.5 F20 O2 P Zr -","- C128 H117 B2 Cl F40 O4 P2 Zr2 -","2","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.0306","0.0277","","","0.0712","0.0739","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107113","9.9407","0.0019","10.2407","0.002","18.024","0.004","84.081","0.005","75.579","0.004","70.851","0.005","1678.2","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H53 N2 Ni P -","- C38 H53 N2 Ni P -","- C76 H106 N4 Ni2 P2 -","2","1","","Masato Ohashi; Ippei Takeda; Masashi Ikawa; Sensuke Ogoshi","Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles","Journal of the American Chemical Society","2011","133","","18018","18021","10.1021/ja208162w","","","0.71075","MoKα","","0.1654","0.0904","","","0.2104","0.2891","","","","","","1.115","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107114","10.039","0.004","12.481","0.005","16.806","0.007","95.525","0.009","96.536","0.009","94.289","0.01","2074.5","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H55 N3 Ni -","- C50 H55 N3 Ni -","- C100 H110 N6 Ni2 -","2","1","","Masato Ohashi; Ippei Takeda; Masashi Ikawa; Sensuke Ogoshi","Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles","Journal of the American Chemical Society","2011","133","","18018","18021","10.1021/ja208162w","","","0.71075","MoKα","","0.2273","0.0877","","","0.1132","0.166","","","","","","1.021","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107115","9.8805","0.0006","12.7636","0.0008","16.4167","0.0008","96.318","0.002","97.314","0.002","108.6","0.002","1921.07","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H61 N Ni P -","- C45 H61 N Ni P -","- C90 H122 N2 Ni2 P2 -","2","1","","Masato Ohashi; Ippei Takeda; Masashi Ikawa; Sensuke Ogoshi","Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles","Journal of the American Chemical Society","2011","133","","18018","18021","10.1021/ja208162w","","","0.71075","MoKα","","0.1483","0.0698","","","0.1386","0.2242","","","","","","1.163","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107116","13.3664","0.0007","13.3664","0.0007","39.316","0.004","90","","90","","90","","7024.2","0.9","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","FMOF-1,2toluene","","","- C38 H16 Ag6 F36 N18 -","- C38 H16 Ag6 F36 N18 -","- C152 H64 Ag24 F144 N72 -","4","0.25","","Chi Yang; Ushasree Kaipa; Qian Zhang Mather; Xiaoping Wang; Vladimir Nesterov; Augustin F. Venero; Mohammad A. Omary","Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage","Journal of the American Chemical Society","2011","133","","18094","18097","10.1021/ja208408n","","","0.71073","MoKα","","0.0621","0.046","","","0.1261","0.1558","","","","","","1.097","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107117","23.4261","0.0014","23.4261","0.0014","12.2033","0.0015","90","","90","","120","","5799.7","0.9","100","2","100","2","","","","","","","","5","P 6/m","-P 6","175","FMOF-2,4toluene","","","- C52 H32 Ag6 F36 N18 -","- C52 H32 Ag6 F36 N18 -","- C156 H96 Ag18 F108 N54 -","3","0.25","","Chi Yang; Ushasree Kaipa; Qian Zhang Mather; Xiaoping Wang; Vladimir Nesterov; Augustin F. Venero; Mohammad A. Omary","Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage","Journal of the American Chemical Society","2011","133","","18094","18097","10.1021/ja208408n","","","0.71073","MoKα","","0.0735","0.064","","","0.1639","0.1732","","","","","","1.459","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107118","18.4713","0.0017","11.625","0.0011","18.703","0.0018","90","","103.472","0.002","90","","3905.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 Br O P Pd -","- C41 H62 Br O P Pd -","- C164 H248 Br4 O4 P4 Pd4 -","4","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.0529","0.0319","","","0.0659","0.0733","","","","","","1.016","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107119","11.7544","0.001","11.9376","0.001","16.5466","0.0014","75.412","0.002","71.071","0.002","62.967","0.002","1941.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H62 Br O2 P Pd -","- C41 H62 Br O2 P Pd -","- C82 H124 Br2 O4 P2 Pd2 -","2","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.0336","0.0264","","","0.0602","0.0628","","","","","","1.03","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107120","19.9808","0.0017","20.8738","0.0018","22.375","0.002","90","","90","","90","","9332.1","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H74 Br O2 P Pd -","- C51 H74 Br O2 P Pd -","- C408 H592 Br8 O16 P8 Pd8 -","8","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.055","0.0433","","","0.1083","0.1148","","","","","","1.046","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107121","10.633","0.004","11.053","0.004","16.941","0.006","107.083","0.007","102.721","0.008","96.416","0.01","1822.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H61 O P -","- C41 H61 O P -","- C82 H122 O2 P2 -","2","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.0674","0.0464","","","0.1112","0.1233","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107122","20.6183","0.0011","11.3406","0.0006","19.2147","0.001","90","","90.439","0.003","90","","4492.7","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 B Fe N2 Na O P3 Si -","- C43 H71 B Fe N2 Na O P3 Si -","- C172 H284 B4 Fe4 N8 Na4 O4 P12 Si4 -","4","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.1186","0.051","","","0.0875","0.1071","","","","","","0.997","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107123","10.7723","0.0005","11.3518","0.0005","20.438","0.0009","78.098","0.002","78.462","0.002","62.107","0.002","2145.87","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H68 B Fe N2 P3 Si -","- C41.5 H68 B Fe N2 P3 Si -","- C83 H136 B2 Fe2 N4 P6 Si2 -","2","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0487","0.035","","","0.0989","0.1065","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107124","12.0358","0.0004","12.2087","0.0005","19.5934","0.0007","107.196","0.002","91.58","0.002","101.338","0.002","2685.4","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H82 B Fe N2 O P3 Si3 -","- C47 H82 B Fe N2 O P3 Si3 -","- C94 H164 B2 Fe2 N4 O2 P6 Si6 -","2","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0691","0.0374","","","0.0877","0.1012","","","","","","1.01","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107125","11.2149","0.0005","24.117","0.001","37.5403","0.0013","90","","90","","90","","10153.5","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H79 B Fe N3 P3 Si2 -","- C47 H79 B Fe N3 P3 Si2 -","- C376 H632 B8 Fe8 N24 P24 Si16 -","8","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0715","0.0504","","","0.0963","0.1025","","","","","","1.144","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107126","23.4418","0.001","9.6272","0.0004","22.5854","0.0009","90","","116.834","0.002","90","","4548.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 B Fe N2 P3 Si2 -","- C42 H70 B Fe N2 P3 Si2 -","- C168 H280 B4 Fe4 N8 P12 Si8 -","4","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0581","0.0392","","","0.0883","0.0963","","","","","","1.097","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107127","22.2063","0.0011","8.6597","0.0005","17.7277","0.0009","90","","112.912","0.001","90","","3140.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H44 Cl Mo N3 -","- C32 H44 Cl Mo N3 -","- C128 H176 Cl4 Mo4 N12 -","4","1","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0175","0.0169","","","0.0431","0.0434","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107128","8.5068","0.0012","10.2626","0.0014","21.51","0.003","91.532","0.003","96.714","0.003","110.575","0.003","1741.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 Cl2 Mo N2 -","- C39 H42 Cl2 Mo N2 -","- C78 H84 Cl4 Mo2 N4 -","2","1","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0443","0.0349","","","0.0791","0.0837","","","","","","1.069","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107129","16.251","0.003","16.403","0.004","24.476","0.005","71.259","0.005","87.158","0.005","68.692","0.005","5739","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68.5 H78.5 Cl Mo N2 O2 -","- C68.5 H78.5 Cl Mo N2 O2 -","- C274 H314 Cl4 Mo4 N8 O8 -","4","2","","Laura C. H. Gerber; Richard R. Schrock; Peter Müller; Michael K. Takase","Synthesis of Molybdenum Alkylidene Complexes That Contain the 2,6-Dimesitylphenylimido Ligand","Journal of the American Chemical Society","2011","133","","18142","18144","10.1021/ja208936s","","","0.71073","MoKα","","0.0803","0.0445","","","0.0931","0.1095","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107130","12.4432","0.0007","21.6411","0.0012","10.2993","0.0006","90","","90","","90","","2773.4","0.3","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","2b","","","- C26 H36 Cl3 N2 Ta -","- C26 H36 Cl3 N2 Ta -","- C104 H144 Cl12 N8 Ta4 -","4","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0684","0.0573","","","0.1428","0.1495","","","","","","1.072","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107131","15.355","0.004","16.774","0.005","18.605","0.005","111.449","0.002","102.867","0.002","101.062","0.002","4146","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","3c","","","- C74 H84 Cl15 N4 Ta3 -","- C74 H84 Cl15 N4 Ta3 -","- C148 H168 Cl30 N8 Ta6 -","2","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0592","0.0556","","","0.1565","0.1601","","","","","","1.025","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107132","13.951","0.005","19.163","0.007","17.893","0.007","90","","111.36","0.003","90","","4455","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","7b","","","- C42 H52 Cl7 N2 Ta -","- C42 H52 Cl7 N2 Ta -","- C168 H208 Cl28 N8 Ta4 -","4","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0864","0.0522","","","0.1216","0.1689","","","","","","1.181","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107133","8.9009","0.0019","8.942","0.002","10.699","0.003","82.986","0.011","71.318","0.008","67.524","0.009","745.4","0.3","113","2","113","2","","","","","","","","5","P 1","P 1","1","8a","","","- C28 H40 Cl4 N2 Ta -","- C28 H40 Cl4 N2 Ta -","- C28 H40 Cl4 N2 Ta -","1","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0306","0.0296","","","0.0643","0.0644","","","","","","0.943","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107134","12.961","0.004","21.687","0.006","10.283","0.003","90","","90","","90","","2890.4","1.5","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","8b","","","- C26 H36 Cl4 N2 Ta -","- C26 H36 Cl4 N2 Ta -","- C104 H144 Cl16 N8 Ta4 -","4","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0341","0.0293","","","0.0801","0.1019","","","","","","1.256","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107135","11.424","0.003","12.975","0.003","13.899","0.004","66.732","0.006","78.476","0.009","80.581","0.009","1846.2","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","8c","","","- C79 H80 Cl8 N4 Ta2 -","- C79 H80 Cl8 N4 Ta2 -","- C79 H80 Cl8 N4 Ta2 -","1","0.5","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0335","0.0293","","","0.0715","0.0886","","","","","","1.127","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107136","16.3263","0.001","17.2761","0.001","17.4555","0.0011","90","","90.027","0.003","90","","4923.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","9b","","","- C39 H49 Cl13 Co N2 Ta -","- C39 H49 Cl13 Co N2 Ta -","- C156 H196 Cl52 Co4 N8 Ta4 -","4","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0981","0.0663","","","0.1618","0.2017","","","","","","1.098","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107137","13.0809","0.0018","7.9962","0.0011","17.398","0.002","90","","90","","90","","1819.8","0.4","143","2","143","2","","","","","","","","6","P m c 21","P 2c -2","26","Tp*CoNO","bergman04","","- C15 H22 B Co N7 O -","- C15 H22 B Co N7 O -","- C60 H88 B4 Co4 N28 O4 -","4","1","","Neil C. Tomson; Mark R. Crimmin; Taras Petrenko; Lauren E. Rosebrugh; Stephen Sproules; W. Christopher Boyd; Robert G. Bergman; Serena DeBeer; F. Dean Toste; Karl Wieghardt","A Step beyond the Feltham-Enemark Notation: Spectroscopic and Correlated ab Initio Computational Support for an Antiferromagnetically Coupled M(II)-(NO)-Description of Tp*M(NO) (M = Co, Ni)","Journal of the American Chemical Society","2011","133","","18785","18801","10.1021/ja206042k","","","0.71073","MoKα","","0.0591","0.0395","","","0.074","0.0827","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107138","8.8202","0.0016","12.356","0.002","14.331","0.003","85.144","0.003","79.217","0.003","70.279","0.002","1443.9","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H21 Cl2 F6 N6 O P Ru -","- C24 H21 Cl2 F6 N6 O3 P Ru -","- C48 H42 Cl4 F12 N12 O6 P2 Ru2 -","2","1","","Tomoya Ishizuka; Kengo Tobita; Yuichi Yano; Yoshihito Shiota; Kazunari Yoshizawa; Shunichi Fukuzumi; Takahiko Kojima","Proton-Coupled Electron Shuttling in a Covalently Linked Ruthenium-Copper Heterodinuclear Complex","Journal of the American Chemical Society","2011","133","","18570","18573","10.1021/ja208141b","","","0.71073","MoKα","","0.0916","0.0564","","","0.132","0.1518","","","","","","1.031","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107139","9.1358","0.0008","12.1565","0.0011","12.4654","0.0011","107.847","0.002","94.415","0.002","100.224","0.002","1284","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Fe4 N2 O12 -","- C20 H20 Fe4 N2 O12 -","- C40 H40 Fe8 N4 O24 -","2","1","","M. Diego Rail; Louise A. Berben","Directing the Reactivity of [HFe4N(CO)12]- toward H+ or CO2 Reduction by Understanding the Electrocatalytic Mechanism","Journal of the American Chemical Society","2011","133","","18577","18579","10.1021/ja208312t","","","0.71073","MoKα","","0.0661","0.0446","","","0.1018","0.1087","","","","","","1.078","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107140","16.5787","0.0003","17.3242","0.0004","22.8168","0.0005","90","","106.406","0.001","90","","6286.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H41.5 Cl N3 O2 Pd S -","- C31.5 H41.5 Cl N3 O2 Pd S -","- C252 H332 Cl8 N24 O16 Pd8 S8 -","8","2","","Paul B. White; Shannon S. Stahl","Reversible Alkene Insertion into the Pd-N Bond of Pd(II)-Sulfonamidates and Implications for Catalytic Amidation Reactions","Journal of the American Chemical Society","2011","133","","18594","18597","10.1021/ja208560h","","","1.54178","CuKα","","0.0337","0.0318","","","0.077","0.0781","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107141","13.443","0.003","18.101","0.004","28.587","0.006","90","","90","","90","","6956","3","113.1","","113.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H86 Ag Ge3 I P6 Pd4 -","- C61 H86 Ag Ge3 I P6 Pd4 -","- C244 H344 Ag4 Ge12 I4 P24 Pd16 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.0743","0.0636","","","0.1344","0.1406","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107142","18.635","0.002","27.701","0.003","27.386","0.003","90","","99.7603","0.0014","90","","13932","3","113.1","","113.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C120 H184 Ge6 P12 Pd8 -","- C120 H170 Ge6 P12 Pd8 -","- C480 H680 Ge24 P48 Pd32 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.0983","0.0799","","","0.1158","0.1225","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107143","13.83","0.007","14.631","0.008","16.86","0.008","98.179","0.009","99.519","0.007","102.421","0.008","3229","3","163","","163","","","","","","","","","6","P -1","-P 1","2","","","","- C110 H136 Ge6 P6 Pd6 S2 -","- C110 H136 Ge6 P6 Pd6 S2 -","- C110 H136 Ge6 P6 Pd6 S2 -","1","0.5","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.108","0.0789","","","0.2363","0.2672","","","","","","1.038","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107144","14.3194","0.0018","29.746","0.006","16.545","0.004","90","","91.426","0.007","90","","7045","2","113.1","","113.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H86 Cu Ge3 I P6 Pd4 -","- C61 H86 Cu Ge3 I P6 Pd4 -","- C244 H344 Cu4 Ge12 I4 P24 Pd16 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.109","0.0787","","","0.1844","0.2065","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107145","9.1178","0.0004","13.4299","0.0006","17.0872","0.0008","90","","90.568","0.001","90","","2092.24","0.16","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cmpd 7","","- C19 H32 Mo N4 O2 -","- C19 H32 Mo N4 O2 -","- C76 H128 Mo4 N16 O8 -","4","1","","Jonathan P. Reeds; Brendan L. Yonke; Peter Y. Zavalij; Lawrence R. Sita","Carbon Monoxide-Induced N-N Bond Cleavage of Nitrous Oxide That Is Competitive with Oxygen Atom Transfer to Carbon Monoxide As Mediated by a Mo(II)/Mo(IV) Catalytic Cycle","Journal of the American Chemical Society","2011","133","","18602","18605","10.1021/ja208669s","","","0.71073","MoKα","","0.0159","0.0157","","","0.0374","0.0375","","","","","","1","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107146","5.9857","0.0009","9.3466","0.0015","9.4874","0.0015","93.652","0.003","100.48","0.003","95.083","0.003","518.15","0.14","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C20 H20 N4 O8 -","2","1","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0376","0.0337","","","0.0923","0.0947","","","","","","1.157","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107147","11.65","0.0004","5.8419","0.0003","15.9102","0.0007","90","","90","","90","","1082.82","0.08","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","0.5","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0428","0.0364","","","0.0912","0.0974","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107148","12.5062","0.001","6.2721","0.0005","13.3644","0.0013","90","","113.616","0.005","90","","960.51","0.15","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C36 H44 N4 O16 -","4","1","","Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore","Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores","Journal of the American Chemical Society","2011","133","","18992","18998","10.1021/ja2086728","","","0.71073","MoKα","","0.0809","0.0487","","","0.1124","0.1306","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107149","8.78","0.005","11","0.006","17.033","0.009","90","","98.066","0.006","90","","1628.8","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cis-indene carbonate","","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","2","","Donald J. Darensbourg; Stephanie J. Wilson","Synthesis of Poly(indene carbonate) from Indene Oxide and Carbon Dioxide-A Polycarbonate with a Rigid Backbone","Journal of the American Chemical Society","2011","133","","18610","18613","10.1021/ja208711c","","","0.71073","MoKα","","0.0466","0.0369","","","0.0885","0.0951","","","","","","1.032","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107150","7.0295","0.0009","8.2003","0.001","11.7634","0.0016","90","","103.52","0.007","90","","659.3","0.15","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","indene oxide","","","- C9 H8 O -","- C9 H8 O -","- C36 H32 O4 -","4","1","","Donald J. Darensbourg; Stephanie J. Wilson","Synthesis of Poly(indene carbonate) from Indene Oxide and Carbon Dioxide-A Polycarbonate with a Rigid Backbone","Journal of the American Chemical Society","2011","133","","18610","18613","10.1021/ja208711c","","","1.54178","CuKα","","0.0614","0.0582","","","0.1362","0.1392","","","","","","1.214","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107151","12.166","0.004","7.707","0.003","17.558","0.006","90","","97.316","0.006","90","","1632.9","1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B N -","- C24 H16 B N -","- C96 H64 B4 N4 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Shu Seki; Masaharu Nakamura","Synthesis of BN-Fused Polycyclic Aromatics via Tandem Intramolecular Electrophilic Arene Borylation","Journal of the American Chemical Society","2011","133","","18614","18617","10.1021/ja208950c","","","0.7107","MoKα","","","0.0543","","","","0.1372","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107152","12.169","0.003","7.6028","0.0017","17.687","0.004","90","","97.532","0.004","90","","1622.3","0.7","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Shu Seki; Masaharu Nakamura","Synthesis of BN-Fused Polycyclic Aromatics via Tandem Intramolecular Electrophilic Arene Borylation","Journal of the American Chemical Society","2011","133","","18614","18617","10.1021/ja208950c","","","0.7107","MoKα","","","0.0395","","","","0.0953","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107153","9.6585","0.0012","8.3766","0.001","13.0807","0.0015","90","","97.107","0.004","90","","1050.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Br O5 -","- C23 H25 Br O5 -","- C46 H50 Br2 O10 -","2","1","","Joseph Moran; Austin G. Smith; Ryan M. Carris; Jeffrey S. Johnson; Michael J. Krische","Polarity Inversion of Donor-Acceptor Cyclopropanes: Disubstituted δ-Lactones via Enantioselective Iridium Catalysis","Journal of the American Chemical Society","2011","133","","18618","18621","10.1021/ja2090993","","","0.71075","MoKα","","0.0365","0.0332","","","0.0748","0.0768","","","","","","1.079","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107154","28.449","0.006","9.742","0.0019","24.138","0.005","90","","117.76","0.03","90","","5920","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H72 Ge2 N2 Si2 -","- C72 H72 Ge2 N2 Si2 -","- C288 H288 Ge8 N8 Si8 -","4","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71069","Synchrotron","","0.0464","0.0444","","","0.1056","0.1069","","","","","","1.031","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107155","28.596","0.0008","9.7591","0.0002","24.3038","0.0006","90","","118.219","0.004","90","","5976.4","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 Ge2 N2 Si2 -","- C72 H74 Ge2 N2 Si2 -","- C288 H296 Ge8 N8 Si8 -","4","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.0471","0.0356","","","0.0822","0.0877","","","","","","1.037","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107156","11.1415","0.0005","13.5993","0.0006","14.7247","0.0005","113.957","0.004","112.224","0.004","92.658","0.004","1833.89","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H96 Ge2 N2 O2 Si2 -","- C80 H96 Ge2 N2 O2 Si2 -","- C80 H96 Ge2 N2 O2 Si2 -","1","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.1035","0.0718","","","0.1657","0.1873","","","","","","1.033","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107157","10.826","0.0004","13.3018","0.0005","13.9126","0.0005","117.252","0.004","99.217","0.003","99.726","0.003","1689.77","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H86 Ge2 N2 O2 Si2 -","- C76 H86 Ge2 N2 O2 Si2 -","- C76 H86 Ge2 N2 O2 Si2 -","1","0.5","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.1041","0.0582","","","0.0888","0.1045","","","","","","0.987","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107158","12.375","0.003","21.468","0.004","14.592","0.003","90","","107.58","0.03","90","","3695.6","1.5","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C80 H95 Ge2 K N2 O2 Si2 -","- C80 H95 Ge2 K N2 O2 Si2 -","- C160 H190 Ge4 K2 N4 O4 Si4 -","2","1","","Jiaye Li; Christian Schenk; Catharina Goedecke; Gernot Frenking; Cameron Jones","A Digermyne with a Ge-Ge Single Bond That Activates Dihydrogen in the Solid State","Journal of the American Chemical Society","2011","133","","18622","18625","10.1021/ja209215a","","","0.71073","MoKα","","0.0718","0.049","","","0.0823","0.0912","","","","","","1.073","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107159","9.3325","0.0009","13.9742","0.0014","30.898","0.003","90","","90","","90","","4029.5","0.7","","","","","","","","","","","heptane,propanole","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C25 H22 I N -","- C25 H22 I N -","- C200 H176 I8 N8 -","8","2","","Steffen Müller; Matthew J. Webber; Benjamin List","The Catalytic Asymmetric Fischer Indolization","Journal of the American Chemical Society","2011","133","","18534","18537","10.1021/ja2092163","","","","","","","","","","","","","","","","","","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107160","9.7906","0.0005","12.3495","0.0007","14.1529","0.0008","90.083","0.001","106.97","0.001","111.328","0.001","1513.45","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 F6 Ir N5 O6 S2 -","- C24 H30 F6 Ir N5 O6 S2 -","- C48 H60 F12 Ir2 N10 O12 S4 -","2","1","","Douglas B. Grotjahn; Derek B. Brown; Jessica K. Martin; David C. Marelius; Marie-Caline Abadjian; Hai N. Tran; Gregory Kalyuzhny; Kenneth S. Vecchio; Zephen G. Specht; Sara A. Cortes-Llamas; Valentin Miranda-Soto; Christoffel van Niekerk; Curtis E. Moore; Arnold L. Rheingold","Evolution of Iridium-Based Molecular Catalysts during Water Oxidation with Ceric Ammonium Nitrate","Journal of the American Chemical Society","2011","133","","19024","19027","10.1021/ja203095k","","","0.71073","MoKα","","0.039","0.0333","","","0.0682","0.0715","","","","","","1.051","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107161","12.9799","0.0007","14.7278","0.0007","16.9878","0.0008","67.787","0.002","82.985","0.002","81.55","0.002","2966","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 B F24 N3 Pt -","- C58 H44 B F24 N3 Pt -","- C116 H88 B2 F48 N6 Pt2 -","2","1","","Bradley A. McKeown; Hector Emanuel Gonzalez; Max R. Friedfeld; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat","Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes","Journal of the American Chemical Society","2011","133","","19131","19152","10.1021/ja206064v","","","0.71073","MoKα","","0.0649","0.0463","","","0.1209","0.1349","","","","","","0.892","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107162","10.2446","0.0002","10.4139","0.0002","14.1631","0.0003","81.36","0.001","78.361","0.001","82.855","0.001","1456.22","0.05","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H49 B F24 N2 Pt -","- C60 H49 B F24 N2 Pt -","- C60 H49 B F24 N2 Pt -","1","1","","Bradley A. McKeown; Hector Emanuel Gonzalez; Max R. Friedfeld; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat","Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes","Journal of the American Chemical Society","2011","133","","19131","19152","10.1021/ja206064v","","","0.71073","MoKα","","0.0237","0.0237","","","0.0616","0.0616","","","","","","0.976","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107163","18.169","0.0005","21.4934","0.0006","24.074","0.0006","90","","90","","90","","9401.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94.7 H80.75 Br4 O11.3 Rh2 -","- C94.7 H80.75 Br4 O11.3 Rh2 -","- C378.8 H323 Br16 O45.2 Rh8 -","4","1","","Changming Qin; Vyacheslav Boyarskikh; Jørn H. Hansen; Kenneth I. Hardcastle; Djamaladdin G. Musaev; Huw M. L. Davies","D2-Symmetric Dirhodium Catalyst Derived from a 1,2,2-Triarylcyclopropanecarboxylate Ligand: Design, Synthesis and Application","Journal of the American Chemical Society","2011","133","","19198","19204","10.1021/ja2074104","","","1.54178","CuKα","","0.0461","0.0446","","","0.1319","0.1338","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107164","9.6051","0.0007","14.9897","0.0009","24.7674","0.0017","90","","96.221","0.003","90","","3545","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 B2 Cl2 N2 -","- C39 H48 B2 Cl2 N2 -","- C156 H192 B8 Cl8 N8 -","4","1","","Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner","Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond","Journal of the American Chemical Society","2011","133","","19044","19047","10.1021/ja208372k","","","0.71073","MoKα","","0.0504","0.0377","","","0.0921","0.1006","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107165","16.1228","0.0008","20.1874","0.0011","12.8165","0.0007","90","","108.469","0.002","90","","3956.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 N2 -","- C46 H56 B2 N2 -","- C184 H224 B8 N8 -","4","1","","Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner","Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond","Journal of the American Chemical Society","2011","133","","19044","19047","10.1021/ja208372k","","","0.71073","MoKα","","0.0866","0.0568","","","0.1458","0.1647","","","","","","1.037","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107166","7.9621","0.001","20.604","0.003","26.06","0.004","90","","92.513","0.007","90","","4271.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B Br2 N2 -","- C11 H19 B Br2 N2 -","- C132 H228 B12 Br24 N24 -","12","3","","Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner","Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond","Journal of the American Chemical Society","2011","133","","19044","19047","10.1021/ja208372k","","","0.71073","MoKα","","0.0415","0.0332","","","0.079","0.0838","","","","","","1.028","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107167","44.004","0.002","12.4437","0.0007","10.1127","0.0005","90","","90.85","0.001","90","","5536.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cl N -","- C32 H44 Cl N -","- C256 H352 Cl8 N8 -","8","2","","Shibu Abraham; Richard G. Weiss","'Remote' Adiabatic Photoinduced Deprotonation and Aggregate Formation of Amphiphilic N-Alkyl-N-methyl-3-(pyren-1-yl)propan-1-ammonium Chloride Salts","Journal of the American Chemical Society","2011","133","","19250","19256","10.1021/ja208674s","","x-ray","0.71073","MoKα","","0.0717","0.0495","","","0.112","0.1201","","","","","","1.027","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107168","21.2913","0.0006","23.7666","0.0008","21.8524","0.0009","90","","100.523","0.003","90","","10871.8","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[((iPrNHC)Cu-CO2-SiMe2Ph)(pinB-CO2-SiMe2Ph)]","","","- C53.5 H76 B Cu N2 O6 Si2 -","- C53.5 H76 B Cu N2 O6 Si2 -","- C428 H608 B8 Cu8 N16 O48 Si16 -","8","4","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","1.54184","CuKα","","0.1156","0.0732","","","0.1681","0.193","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107169","13.5028","0.0004","17.0624","0.0005","18.3259","0.0006","71.894","0.001","81.313","0.001","73.53","0.001","3839.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[(iPrNHC)Cu-CO2-SiMe2Ph]","","","- C39 H54 Cu N2 O2 Si -","- C39 H54 Cu N2 O2 Si -","- C156 H216 Cu4 N8 O8 Si4 -","4","2","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","0.71073","MoKα","","0.0853","0.059","","","0.1534","0.1727","","","","","","1.075","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107170","12.9446","0.0002","16.1548","0.0003","20.9756","0.0003","86.428","0.001","72.63","0.001","69.661","0.002","3921.11","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[(iPrNHC)Cu-CO2-SiMe2Ph]","","","- C37.33 H48.52 Cu N2 O2 Si -","- C37.3355 H48.5268 Cu N2 O2 Si1.00025 -","- C149.342 H194.107 Cu4 N8 O8 Si4.001 -","4","2","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","0.71073","MoKα","","0.0766","0.0585","","","0.1582","0.1698","","","","","","1.057","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107171","10.4429","0.0001","20.2606","0.0002","18.8888","0.0002","90","","95.372","0.001","90","","3978.93","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(iPrNHC)Cu-O-SiMe2Ph]","","","- C42 H55 Cu N2 O Si -","- C42 H55 Cu N2 O Si -","- C168 H220 Cu4 N8 O4 Si4 -","4","1","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","1.54184","CuKα","","0.0453","0.0445","","","0.1086","0.109","","","","","","1.125","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107172","10.2902","0.0002","20.1875","0.0004","18.9985","0.0002","90","","97.761","0.002","90","","3910.47","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(iPrNHC)Cu-SiMe2Ph]","","","- C41.21 H56.57 Cu N2 Si -","- C41.214 H56.572 Cu N2 Si -","- C164.856 H226.288 Cu4 N8 Si4 -","4","1","","Christian Kleeberg; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Copper-Mediated Reduction of CO2 with pinB-SiMe2Ph via CO2 Insertion into a Copper-Silicon Bond","Journal of the American Chemical Society","2011","133","","19060","19063","10.1021/ja208969d","","","0.71073","MoKα","","0.0531","0.0403","","","0.0862","0.0913","","","","","","1.068","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107173","4.7093","0.0004","9.813","0.0008","30.237","0.003","90","","90","","90","","1397.3","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.0354","0.0332","","","0.0881","0.0913","","","","","","0.966","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107174","12.6275","0.0004","8.5892","0.0003","20.4658","0.0006","90","","99.32","","90","","2190.42","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C92 H108 N4 O24 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.0385","0.034","","","0.0815","0.0857","","","","","","1.065","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107175","19.0063","0.0005","9.0198","0.0003","20.7729","0.0006","90","","100.566","0.002","90","","3500.78","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 N O10 S -","- C36 H43 N O10 S -","- C144 H172 N4 O40 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.1209","0.0775","","","0.2103","0.2474","","","","","","1.015","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107176","30.384","0.004","18.213","0.003","12.9003","0.0015","90","","95.38","0.01","90","","7107.4","1.7","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H26 N2 O8 -","- C48 H26 N2 O8 -","- C384 H208 N16 O64 -","8","1","","Zhixue Zhu; Christine J. Cardin; Yu Gan; Claire A. Murray; Andrew J. P. White; David J. Williams; Howard M. Colquhoun","Conformational Modulation of Sequence Recognition in Synthetic Macromolecules","Journal of the American Chemical Society","2011","133","","19442","19447","10.1021/ja2067115","","","1.54178","CuKα","","0.0884","0.0572","","","0.1448","0.1602","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107177","15.9918","0.0002","35.2582","0.0005","26.4571","0.0003","90","","102.261","0.001","90","","14577.4","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C89 H53 N5 O10 -","- C89 H53 N5 O10 -","- C712 H424 N40 O80 -","8","2","","Zhixue Zhu; Christine J. Cardin; Yu Gan; Claire A. Murray; Andrew J. P. White; David J. Williams; Howard M. Colquhoun","Conformational Modulation of Sequence Recognition in Synthetic Macromolecules","Journal of the American Chemical Society","2011","133","","19442","19447","10.1021/ja2067115","","","1.5418","CuKα","","0.1406","0.1122","","0.3069","0.2697","0.3069","","","","","","0.9523","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107178","10.5615","0.0016","19.679","0.003","22.733","0.003","90","","99.964","0.008","90","","4653.6","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H70 Dy Li O3 Si4 -","- C39.5 H70 Dy Li O3 Si4 -","- C158 H280 Dy4 Li4 O12 Si16 -","4","1","","Matthew Jeletic; Po-Heng Lin; Jennifer J. Le Roy; Ilia Korobkov; Serge I. Gorelsky; Muralee Murugesu","An Organometallic Sandwich Lanthanide Single-Ion Magnet with an Unusual Multiple Relaxation Mechanism","Journal of the American Chemical Society","2011","133","","19286","19289","10.1021/ja207891y","","","0.71073","MoKα","","0.0323","0.0254","","","0.0653","0.0693","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107179","8.735","0.004","15.966","0.008","13.967","0.007","90","","99.947","0.006","90","","1918.6","1.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H30 Cl2 O8 P2 -","- C45 H30 Cl2 O8 P2 -","- C90 H60 Cl4 O16 P4 -","2","1","","Norie Momiyama; Tohru Konno; Yuichi Furiya; Takeaki Iwamoto; Masahiro Terada","Design of Chiral Bis-phosphoric Acid Catalyst Derived from (R)-3,3'-Di(2-hydroxy-3-arylphenyl)binaphthol: Catalytic Enantioselective Diels-Alder Reaction of α,β-Unsaturated Aldehydes with Amidodienes","Journal of the American Chemical Society","2011","133","","19294","19297","10.1021/ja2081444","","","0.71073","MoKα","","0.0727","0.0554","","","0.1257","0.136","","","","","","1.03","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107180","12.08","0.0002","6.576","0.0001","19.293","0.0004","90","","104.5","0.001","90","","1483.78","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0506","0.0391","","","0.0941","0.1002","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107181","8.297","0.0012","17.003","0.0019","12.099","0.0016","90","","100.028","0.009","90","","1680.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C84 H60 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.1046","0.0739","","","0.1759","0.1977","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107182","11.6399","0.0004","6.7536","0.0002","17.8463","0.0007","90","","92.162","0.002","90","","1401.92","0.08","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F N O2 S -","- C17 H12 F N O2 S -","- C68 H48 F4 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0582","0.0403","","","0.0928","0.1012","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107183","9.919","0.003","7.278","0.002","9.294","0.003","90","","117.149","0.005","90","","597","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 B N -","- C4 H12 B N -","- C16 H48 B4 N4 -","4","1","","Wei Luo; Patrick G. Campbell; Lev N. Zakharov; Shih-Yuan Liu","A Single-Component Liquid-Phase Hydrogen Storage Material","Journal of the American Chemical Society","2011","133","","19326","19329","10.1021/ja208834v","","","0.71073","MoKα","","0.0884","0.071","","","0.1978","0.2147","","","","","","1.081","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107184","7.8247","0.0014","15.827","0.003","13.759","0.002","90","","91.391","0.003","90","","1703.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 B N O2 -","- C6 H16 B N O2 -","- C48 H128 B8 N8 O16 -","8","2","","Wei Luo; Patrick G. Campbell; Lev N. Zakharov; Shih-Yuan Liu","A Single-Component Liquid-Phase Hydrogen Storage Material","Journal of the American Chemical Society","2011","133","","19326","19329","10.1021/ja208834v","","","0.71073","MoKα","","0.1099","0.067","","","0.147","0.1701","","","","","","1.043","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107185","11.048","0.004","16.791","0.006","19.079","0.007","71.951","0.005","73.731","0.005","77.086","0.005","3194","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Sc2C2@Cs(6)-C82Triphenyle","Sc2C2@Cs(6)-C82Triphenylemethyl pyrrolidine","","- C117.5 H44 N Sc2 -","- C117.508 H44 N Sc2.0002 -","- C235.016 H88 N2 Sc4.0004 -","2","1","","Xing Lu; Koji Nakajima; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Structural Elucidation and Regioselective Functionalization of An Unexplored Carbide Cluster Metallofullerene Sc2C2@Cs(6)-C82","Journal of the American Chemical Society","2011","133","","19553","19558","10.1021/ja208841w","","","0.71073","MoKα","","0.1589","0.0935","","","0.2089","0.2478","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107186","20.4","0.002","16.8402","0.0018","21.336","0.002","90","","92.337","0.002","90","","7323.7","1.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H58 F12 Fe N11 O1.5 P2 -","- C78 H58 F12 Fe N11 O1.5 P2 -","- C312 H232 F48 Fe4 N44 O6 P8 -","4","1","","S. Alan Cramer; David M. Jenkins","Synthesis of Aziridines from Alkenes and Aryl Azides with a Reusable Macrocyclic Tetracarbene Iron Catalyst","Journal of the American Chemical Society","2011","133","","19342","19345","10.1021/ja2090965","","","0.71073","MoKα","","0.085","0.0655","","","0.1811","0.2009","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107187","17.61","0.0005","17.61","0.0005","17.61","0.0005","90","","90","","90","","5461.1","0.3","293","2","293","2","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Cu12 K12 Sn21 -","- Cu12 K12.005 Sn21 -","- Cu48 K48.02 Sn84 -","4","0.0833333","","Saskia Stegmaier; Thomas F. Fässler","A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K)","Journal of the American Chemical Society","2011","133","","19758","19768","10.1021/ja205934p","","x-ray","0.71073","MoKα","","0.0417","0.04","","","0.0613","0.0618","","","","","","1.519","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107188","16.6253","0.0003","16.6253","0.0003","16.6253","0.0003","90","","90","","90","","4595.24","0.14","293","2","293","2","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- Cu4 Na4 Sn7 -","- Cu4 Na4.08667 Sn7 -","- Cu48 Na49.04 Sn84 -","12","0.25","","Saskia Stegmaier; Thomas F. Fässler","A Bronze Matryoshka: The Discrete Intermetalloid Cluster [Sn@Cu12@Sn20]^12-^ in the Ternary Phases A~12~Cu~12~Sn~21~ (A = Na, K)","Journal of the American Chemical Society","2011","133","","19758","19768","10.1021/ja205934p","","x-ray","0.71073","MoKα","","0.0356","0.0354","","","0.0716","0.0716","","","","","","1.643","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4107189","6.389","0.005","9.097","0.007","16.659","0.008","96.44","0.05","95.07","0.05","106.06","0.04","917.3","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 I3 S16 -","- C24 H24 I3 S16 -","- C24 H24 I3 S16 -","1","0.5","","Koichi Kikuchi; Takayuki Isono; Masayuki Kojima; Haruo Yoshimoto; Takeshi Kodama; Wataru Fujita; Keiichi Yokogawa; Harukazu Yoshino; Keizo Murata; Takayuki Kaihatsu; Hiroki Akutsu; Jun-ichi Yamada","Uniaxial Strain Orientation Dependence of Superconducting Transition Temperature (Tc) and Critical Superconducting Pressure (Pc) in β-(BDA-TTP)2I3","Journal of the American Chemical Society","2011","133","","19590","19593","10.1021/ja207353x","","","0.71073","MoKα","","0.0525","0.04","","","0.0828","0.0871","","","","","","1.288","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107190","14.3818","0.0006","6.4515","0.0003","15.0178","0.0006","90","","103.037","0.002","90","","1357.5","0.1","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H39 N O4 S Si -","- C27 H39 N O4 S Si -","- C54 H78 N2 O8 S2 Si2 -","2","1","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","1.54178","CuKα","","0.075","0.0711","","","0.1743","0.19","","","","","","1.089","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107191","6.79","0.002","14.525","0.005","26.401","0.01","90","","90","","90","","2603.8","1.5","110","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O7 -","- C27 H35 N O7 -","- C108 H140 N4 O28 -","4","1","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","0.71073","MoKα","","0.0786","0.0489","","","0.1071","0.122","","","","","","1.04","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107192","10.083","0.006","10.455","0.005","15.23","0.007","84.552","0.007","88.78","0.01","62.157","0.006","1412.7","1.3","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H42.5 F3 N O5.5 -","- C29 H42 F3 N O5.25 -","- C58 H84 F6 N2 O10.5 -","2","2","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","0.71073","MoKα","","0.1595","0.0957","","","0.23","0.2753","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107193","39.4197","0.0011","13.7261","0.0004","30.1648","0.0009","90","","122.154","0.001","90","","13818.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 Cl N13 O13 -","- C61.876 H86.628 Cl N13 O13 -","- C495.008 H693.024 Cl8 N104 O104 -","8","1","","Jide Xu; Todd M. Corneillie; Evan G. Moore; Ga-Lai Law; Nathaniel G. Butlin; Kenneth N. Raymond","Octadentate Cages of Tb(III) 2-Hydroxyisophthalamides: A New Standard for Luminescent Lanthanide Labels","Journal of the American Chemical Society","2011","133","","19900","19910","10.1021/ja2079898","","","1.54178","CuKα","","0.0548","0.0507","","","0.146","0.1495","","","","","","1.035","","","","has coordinates,has disorder","178817","2020-10-21","18:00:00",""
"4107194","9.0591","0.0004","17.7788","0.0009","24.8997","0.0014","90","","90","","90","","4010.3","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7","","","- C40 H63 N2 O2 Si Y -","- C40 H63 N2 O2 Si Y -","- C160 H252 N8 O8 Si4 Y4 -","4","1","","Hiroshi Kaneko; Haruki Nagae; Hayato Tsurugi; Kazushi Mashima","End-Functionalized Polymerization of 2-Vinylpyridine through Initial C-H Bond Activation of N-Heteroaromatics and Internal Alkynes by Yttrium Ene-Diamido Complexes","Journal of the American Chemical Society","2011","133","","19626","19629","10.1021/ja208293h","","","0.71075","MoKα","","0.0721","0.051","","","0.0993","0.1207","","","","","","1.04","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107195","17.407","0.004","37.264","0.008","29.795","0.006","90","","101.927","0.003","90","","18909","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C664 H440 Cl24 F24 N64 O16 P12 S64 -","8","1","","Nagao Kobayashi; Taniyuki Furuyama; Koh Satoh","Rationally Designed Phthalocyanines Having Their Main Absorption Band beyond 1000 nm","Journal of the American Chemical Society","2011","133","","19642","19645","10.1021/ja208481q","","","0.71073","MoKα","","0.2032","0.0879","","","0.2228","0.2526","","","","","","0.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107196","21.535","0.004","22.948","0.005","25.314","0.005","97.01","0.03","101.86","0.03","92.81","0.03","12116","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C216 H176 F24 N8 O40 Ru8 S8 -","- C216 H176 F24 N8 O40 Ru8 S8 -","- C432 H352 F48 N16 O80 Ru16 S16 -","2","1","","Vaishali Vajpayee; Young Ho Song; Timothy R. Cook; Hyunuk Kim; Youngil Lee; Peter J. Stang; Ki-Whan Chi","A Unique Non-catenane Interlocked Self-Assembled Supramolecular Architecture and Its Photophysical Properties","Journal of the American Chemical Society","2011","133","","19646","19649","10.1021/ja208495u","","","0.9","synchrotron","","0.1198","0.0939","","","0.2812","0.3001","","","","","","1.209","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107197","6.041","0.01","8.879","0.014","14.65","0.02","77.063","0.019","79.437","0.019","85.652","0.018","752","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,2,4-triazole-3,5-diamine (E)-1,2-bis(3-(trinitromethyl)-1H-1,2,4- triazol-5-yl)diazene methanol hydrate","","- C6 H11 N12 O8 -","- C6 H11 N12 O8 -","- C12 H22 N24 O16 -","2","1","","Venugopal Thottempudi; Jean'ne M. Shreeve","Synthesis and Promising Properties of a New Family of High-Density Energetic Salts of 5-Nitro-3-trinitromethyl-1H-1,2,4-triazole and 5,5'-Bis(trinitromethyl)-3,3'-azo-1H-1,2,4-triazole","Journal of the American Chemical Society","2011","133","","19982","19992","10.1021/ja208990z","","","0.71073","MoKα","","0.1698","0.075","","","0.1749","0.2242","","","","","","0.981","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107198","5.0968","0.0006","5.0968","0.0006","4.4553","0.0007","90","","90","","120","","100.23","0.02","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C Ca F K O3 -","- C Ca F K O3 -","- C Ca F K O3 -","1","0.0833333","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0108","0.0108","","","0.0272","0.0272","","","","","","1.26","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107199","5.2598","0.0005","5.2598","0.0005","4.6956","0.0011","90","","90","","120","","112.5","0.03","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C F K O3 Sr -","- C F K O3 Sr -","- C F K O3 Sr -","1","0.0833333","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0152","0.0152","","","0.0267","0.0267","","","","","","0.891","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107200","9.1979","0.0006","9.1979","0.0006","4.4463","0.0006","90","","90","","120","","325.77","0.05","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C Ca F O3 Rb -","- C Ca F O3 Rb -","- C3 Ca3 F3 O9 Rb3 -","3","0.25","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0198","0.0195","","","0.0352","0.0353","","","","","","0.976","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4107201","5.3","0.0004","5.3","0.0004","4.79","0.0006","90","","90","","120","","116.525","0.019","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C F O3 Rb Sr -","- C F O3 Rb Sr -","- C F O3 Rb Sr -","1","0.0833333","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0246","0.0239","","","0.05","0.0501","","","","","","1.071","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107202","9.2999","0.0004","9.2999","0.0004","4.54","0.0003","90","","90","","120","","340.05","0.03","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C Ca Cs F O3 -","- C Ca Cs F O3 -","- C3 Ca3 Cs3 F3 O9 -","3","0.25","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0182","0.0182","","","0.0449","0.0449","","","","","","1.306","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4107203","11.5158","0.0009","11.5158","0.0009","7.6132","0.0012","90","","90","","120","","874.35","0.17","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C3 Ba4 Cs3 F5 O9 -","- C3 Ba4 Cs3 F5 O9 -","- C6 Ba8 Cs6 F10 O18 -","2","0.166667","","Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin","Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials","Journal of the American Chemical Society","2011","133","","20001","20007","10.1021/ja209276a","","","0.71073","MoKα","","0.0201","0.0188","","","0.037","0.0446","","","","","","1.167","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107204","74.992","0.003","74.992","0.003","74.992","0.003","90","","90","","90","","421740","3","90","2","90","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C58.65 H45.93 Co N12.72 O2.72 S2 -","- C58.724 H45.997 Co N12.727 O2.727 S2 -","- C11275 H8831.42 Co192 N2443.58 O523.584 S384 -","192","1","","Yasuhide Inokuma; Nodoka Kojima; Tatsuhiko Arai; Makoto Fujita","Bimolecular Reaction via the Successive Introduction of Two Substrates into the Crystals of Networked Molecular Cages","Journal of the American Chemical Society","2011","133","","19691","19693","10.1021/ja209290t","","","0.71073","MoKα","","0.1747","0.1581","","","0.3892","0.3986","","","","","","2.894","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107205","4.6161","0.0004","10.4035","0.0008","19.2977","0.0013","90","","90","","90","","926.74","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aR,9aS)-4-hydroxy-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Michael Binanzer; Sheng-Ying Hsieh; Jeffrey W. Bode","Catalytic Kinetic Resolution of Cyclic Secondary Amines","Journal of the American Chemical Society","2011","133","","19698","19701","10.1021/ja209472h","","","1.54178","CuKα","","0.0699","0.0436","","","0.1064","0.1239","","","","","","0.794","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107206","7.9767","0.0013","13.028","0.002","13.623","0.003","100.705","0.002","101.795","0.003","97.157","0.003","1342.1","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H90 Br2 Si2 -","- C56 H90 Br2 Si2 -","- C56 H90 Br2 Si2 -","1","0.5","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.0556","0.0386","","","0.0941","0.103","","","","","","1.026","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107207","19.547","0.003","12.545","0.0019","14.345","0.002","90","","90","","90","","3517.6","0.9","153","","153","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H55 Br N2 Si -","- C39 H55 Br N2 Si -","- C156 H220 Br4 N8 Si4 -","4","1","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.0549","0.0408","","","0.0769","0.0833","","","","","","0.97","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107208","21.785","0.003","12.4724","0.0015","25.669","0.003","90","","98.697","0.002","90","","6894.4","1.5","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H55 Br Si3 -","- C32 H55 Br Si3 -","- C256 H440 Br8 Si24 -","8","2","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.1105","0.0694","","","0.1738","0.1992","","","","","","1.075","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107209","14.239","0.003","8.1646","0.0017","15.033","0.003","90","","92.854","0.003","90","","1745.5","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O3 S -","- C20 H17 N3 O3 S -","- C80 H68 N12 O12 S4 -","4","1","","Debashis Mandal; Atsushi D. Yamaguchi; Junichiro Yamaguchi; Kenichiro Itami","Synthesis of Dragmacidin D via Direct C-H Couplings","Journal of the American Chemical Society","2011","133","","19660","19663","10.1021/ja209945x","","","0.7107","MoKα","","0.0514","0.0418","","","0.0994","0.1059","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107210","9.588","0.004","10.753","0.004","15.679","0.006","94.815","0.008","95.074","0.004","101.252","0.007","1570.7","1.1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Br N4 O5 S -","- C35 H35 Br N4 O5 S -","- C70 H70 Br2 N8 O10 S2 -","2","1","","Debashis Mandal; Atsushi D. Yamaguchi; Junichiro Yamaguchi; Kenichiro Itami","Synthesis of Dragmacidin D via Direct C-H Couplings","Journal of the American Chemical Society","2011","133","","19660","19663","10.1021/ja209945x","","","0.7107","MoKα","","0.0855","0.0579","","","0.1047","0.12","","","","","","1.106","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107211","5.465","0.002","6.41","0.003","10.984","0.005","90","","90","","90","","384.8","0.3","110","2","110","2","","","","","","","see text","3","P n m a","-P 2ac 2n","62","hydroxyacetone","1-hydroxypropan-2-one","","- C3 H6 O2 -","- C3 H6 O2 -","- C12 H24 O8 -","4","0.5","","Archna Sharma; Igor Reva; Rui Fausto; Susanne Hesse; Zhifeng Xue; Martin A. Suhm; Susanta K. Nayak; R.Sathishkumar; Rumpa Pal; Tayur N. Guru Row","Conformation-Changing Aggregation in Hydroxyacetone: A Combined Low-Temperature FTIR, Jet, and Crystallographic Study","Journal of the American Chemical Society","2011","133","","20194","20207","10.1021/ja2030646","","","0.71073","MoKα","","0.0446","0.0381","","","0.0903","0.093","","","","","","1.097","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107212","10.587","0.01","12.183","0.01","12.52","0.01","86.77","0.05","70.73","0.05","64.83","0.05","1373","2","10","","10","","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H26 B D3 F10 N -","- C31 H26 B D3 F10 N -","- C62 H52 B2 D6 F20 N2 -","2","1","","Felix Schulz; Victor Sumerin; Sami Heikkinen; Björn Pedersen; Cong Wang; Michiko Atsumi; Markku Leskelä; Timo Repo; Pekka Pyykkö; Winfried Petry; Bernhard Rieger","Molecular Hydrogen Tweezers: Structure and Mechanisms by Neutron Diffraction, NMR, and Deuterium Labeling Studies in Solid and Solution","Journal of the American Chemical Society","2011","133","","20245","20257","10.1021/ja206394w","","neutron","1.03","","","0.1315","0.0659","","","0.0645","0.0714","","","","","","1.42","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107213","18.8682","0.0006","7.0236","0.0002","9.8589","0.0003","90","","90.884","0.003","90","","1306.37","0.07","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Copper benzenediphosphonateester","Copper benzene-1,4-diphosphonatodimethylester","","- C8 H10 Cu O8 P2 -","- C8 H10 Cu O8 P2 -","- C32 H40 Cu4 O32 P8 -","4","0.5","","Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo","Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks","Journal of the American Chemical Society","2011","133","","20048","20051","10.1021/ja207606u","","","1.54178","CuKα","","0.0631","0.0623","","","0.1633","0.1637","","","","","","1.178","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107214","18.566","0.002","7.7903","0.0006","9.7596","0.0012","90","","90.748","0.004","90","","1411.5","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Copper benzenediphosphonateester","Copper benzene-1,4-diphosphonatodiethylester","","- C10 H14 Cu O6 P2 -","- C10 H14 Cu O6 P2 -","- C40 H56 Cu4 O24 P8 -","4","0.5","","Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo","Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks","Journal of the American Chemical Society","2011","133","","20048","20051","10.1021/ja207606u","","","0.71073","MoKα","","0.0793","0.073","","","0.1952","0.2034","","","","","","1.104","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107215","10.3435","0.0009","12.4348","0.0011","13.7303","0.0012","76.7247","0.0013","81.6108","0.0013","78.5633","0.0013","1675.3","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 B3 F20 N2 -","- C30 H23 B3 F20 N2 -","- C60 H46 B6 F40 N4 -","2","1","","Aleksandrs Prokofjevs; Edwin Vedejs","N-Directed Aliphatic C-H Borylation Using Borenium Cation Equivalents","Journal of the American Chemical Society","2011","133","","20056","20059","10.1021/ja208093c","","","0.71073","MoKα","","0.0451","0.0371","","","0.0968","0.1025","","","","","","1.033","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107216","24.348","0.014","7.37","0.004","20.786","0.011","90","","103.239","0.006","90","","3631","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Fe4 N16 O8 -","- C28 H20 Fe4 N16 O8 -","- C112 H80 Fe16 N64 O32 -","4","0.5","","Jennifer L. Hess; Chung-Hung Hsieh; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Self-Assembly of Dinitrosyl Iron Units into Imidazolate-Edge-Bridged Molecular Squares: Characterization Including Mössbauer Spectroscopy","Journal of the American Chemical Society","2011","133","","20426","20434","10.1021/ja208384d","","","0.71073","MoKα","","0.1","0.054","","","0.1256","0.156","","","","","","1.009","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107217","11.833","0.002","57.141","0.011","19.069","0.004","90","","92.2","0.03","90","","12884","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Disilanol FPOSS","octakis(heptadecafluorodecyl)polyhedral oligomeric silsesquioxane diol","","- C80 H34 F136 O13 Si8 -","- C80 H34 F136 O13 Si8 -","- C320 H136 F544 O52 Si32 -","4","1","","Sean M. Ramirez; Yvonne J. Diaz; Raymond Campos; Rebecca L. Stone; Timothy S. Haddad; Joseph M. Mabry","Incompletely Condensed Fluoroalkyl Silsesquioxanes and Derivatives: Precursors for Low Surface Energy Materials","Journal of the American Chemical Society","2011","133","","20084","20087","10.1021/ja208506v","","x-ray","1.54178","CuKα","","0.0915","0.0857","","","0.1893","0.1918","","","","","","1.23","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107218","9.4018","0.0002","13.757","0.0003","15.2303","0.0003","75.605","0.001","78.476","0.001","70.614","0.001","1784.99","0.07","170","2","170","2","","","","","","","","7","P -1","-P 1","2","manganese(II) BnTPEN triflate monomethanol","","","- C30 H29 F6 Mn N5 O7 S2 -","- C30 H29 F6 Mn N5 O7 S2 -","- C60 H58 F12 Mn2 N10 O14 S4 -","2","1","","Xiujuan Wu; Mi Sook Seo; Katherine M. Davis; Yong-Min Lee; Junying Chen; Kyung-Bin Cho; Yulia N. Pushkar; Wonwoo Nam","A Highly Reactive Mononuclear Non-Heme Manganese(IV)-Oxo Complex That Can Activate the Strong C-H Bonds of Alkanes","Journal of the American Chemical Society","2011","133","","20088","20091","10.1021/ja208523u","","","0.71073","MoKα","","0.0486","0.041","","","0.1209","0.1305","","","","","","0.802","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107219","8.2308","0.0017","13.698","0.003","8.5629","0.0018","90","","92.556","0.004","90","","964.5","0.4","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C40 H50 F6 O6 -","2","1","","Kohsuke Aikawa; Yūta Hioki; Natsumi Shimizu; Koichi Mikami","Catalytic Asymmetric Synthesis of Stable Oxetenes via Lewis Acid-Promoted [2 + 2] Cycloaddition","Journal of the American Chemical Society","2011","133","","20092","20095","10.1021/ja2085299","","","0.71073","MoKα","","0.0475","0.0401","","","0.0955","0.101","","","","","","1.03","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107220","5.8129","0.0006","21.954","0.002","40.108","0.004","90","","90","","90","","5118.4","0.9","93","0.1","93","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl F3 O7 -","- C25 H28 Cl F3 O7 -","- C200 H224 Cl8 F24 O56 -","8","2","","Kohsuke Aikawa; Yūta Hioki; Natsumi Shimizu; Koichi Mikami","Catalytic Asymmetric Synthesis of Stable Oxetenes via Lewis Acid-Promoted [2 + 2] Cycloaddition","Journal of the American Chemical Society","2011","133","","20092","20095","10.1021/ja2085299","","","0.71073","","","0.077","0.0491","","","0.0908","0.1009","","","","","","0.995","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107221","23.4418","0.0019","12.9048","0.001","26.735","0.002","90","","90.821","0.002","90","","8086.8","1.1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H57 Cl4 Cu2 N21 O16 -","- C78.008 H48 Cl4 Cu2 N21.004 O16 -","- C312.032 H192 Cl16 Cu8 N84.016 O64 -","4","0.5","","Nabanita Kundu; Manoranjan Maity; Pabitra Baran Chatterjee; Simon J. Teat; Akira Endo; Muktimoy Chaudhury","Reporting a Unique Example of Electronic Bistability Observed in the Form of Valence Tautomerism with a Copper(II) Helicate of a Redox-Active Nitrogenous Heterocyclic Ligand","Journal of the American Chemical Society","2011","133","","20104","20107","10.1021/ja2088986","","","0.7749","synchrotron","","0.0613","0.0558","","","0.1681","0.1742","","","","","","1.029","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107222","5.999","0.0005","11.8071","0.0009","19.7318","0.0015","90","","92.184","0.004","90","","1396.6","0.19","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cr O3 -","- C16 H16 Cr O3 -","- C64 H64 Cr4 O12 -","4","1","","Jiadi Zhang; Corneliu Stanciu; Beibei Wang; Mahmud M. Hussain; Chao-Shan Da; Patrick J. Carroll; Spencer D. Dreher; Patrick J. Walsh","Palladium-Catalyzed Allylic Substitution with (η6-Arene-CH2Z)Cr(CO)3-Based Nucleophiles","Journal of the American Chemical Society","2011","133","","20552","20560","10.1021/ja208935u","","","0.71073","MoKα","","0.0462","0.0434","","","0.1014","0.1034","","","","","","1.062","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107223","8.5","0.0008","10.8183","0.0011","11.1606","0.0011","90","","106.575","0.002","90","","983.63","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","07054","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C50 H46 N2 O4 -","2","1","","Barry M. Trost; Jia Xie; Joshua D. Sieber","The Palladium Catalyzed Asymmetric Addition of Oxindoles and Allenes: An Atom-Economical Versatile Method for the Construction of Chiral Indole Alkaloids","Journal of the American Chemical Society","2011","133","","20611","20622","10.1021/ja209244m","","","0.71073","MoKα","","0.0329","0.0304","","","0.0782","0.0809","","","","","","1.013","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107224","9.6172","0.0009","17.9956","0.0016","14.548","0.0013","90","","102.988","0.002","90","","2453.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","07090","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Barry M. Trost; Jia Xie; Joshua D. Sieber","The Palladium Catalyzed Asymmetric Addition of Oxindoles and Allenes: An Atom-Economical Versatile Method for the Construction of Chiral Indole Alkaloids","Journal of the American Chemical Society","2011","133","","20611","20622","10.1021/ja209244m","","","0.71073","MoKα","","0.0565","0.0401","","","0.1047","0.1198","","","","","","1.022","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107225","7.9043","0.0001","8.2106","0.0001","17.9939","0.0001","90","","90","","90","","1167.79","0.02","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","YbCp3","","- C15 H15 Yb -","- C15 H15 Yb -","- C60 H60 Yb4 -","4","1","","Robert G. Denning; Jeffrey Harmer; Jennifer C. Green; Mark Irwin","Covalency in the 4f Shell oftris-Cyclopentadienyl Ytterbium (YbCp3)-A Spectroscopic Evaluation","Journal of the American Chemical Society","2011","133","","20644","20660","10.1021/ja209311g","","","0.71073","MoKα","","0.02","0.0194","","","0.0444","0.0447","","","","","","1.204","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107226","13.7007","0.0016","17.152","0.002","21.461","0.003","90","","90.003","0.003","90","","5043.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N4 O14 Zn2 -","- C50 H64 N4 O14 Zn2 -","- C200 H256 N16 O56 Zn8 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.0668","0.0428","","","0.1047","0.1154","","","","","","1.04","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107227","11.4137","0.0016","16.592","0.002","26.041","0.003","90","","95.29","0.003","90","","4910.5","1.1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cd2 N2 O12 -","- C44.004 H32 Cd2 N2 O12 -","- C176.016 H128 Cd8 N8 O48 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.077","0.0581","","","0.1615","0.1796","","","","","","1.068","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107228","11.4917","0.0018","18.524","0.003","25.727","0.004","90","","96.28","0.003","90","","5443.7","1.5","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55.2 Cd2 N2.8 O13 -","- C46 H27 Cd2 N2.8 O13 -","- C184 H108 Cd8 N11.2 O52 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.0492","0.0429","","","0.1336","0.1404","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107229","17.065","0.005","9.155","0.003","26.964","0.008","90","","90.212","0.006","90","","4213","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 O12 -","- C46 H52 O12 -","- C184 H208 O48 -","4","1","","Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă","Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission","Journal of the American Chemical Society","2011","133","","20126","20129","10.1021/ja209327q","","","0.71073","MoKα","","0.1238","0.0952","","","0.2726","0.302","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107230","12.819","0.003","22.511","0.006","25.188","0.006","100.326","0.004","97.652","0.004","92.667","0.004","7069","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 K15 Na O156.5 P4 Re2 W35 -","- C6 K15 Na O156.5 P4 Re2 W35 -","- C12 K30 Na2 O313 P8 Re4 W70 -","2","1","","Chongchao Zhao; Zhuangqun Huang; William Rodríguez-Córdoba; Choon Sung Kambara; Kevin P. O'Halloran; Ken I. Hardcastle; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill","Synthesis and Characterization of a Metal-to-Polyoxometalate Charge Transfer Molecular Chromophore","Journal of the American Chemical Society","2011","133","","20134","20137","10.1021/ja209360x","","","0.71073","MoKα","","0.175","0.0729","","","0.1355","0.1721","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107231","13.58","0.003","6.7581","0.0014","14.637","0.003","90","","111.968","0.003","90","","1245.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B N2 -","- C11 H21 B N2 -","- C44 H84 B4 N8 -","4","1","","Senmiao Xu; Lev N. Zakharov; Shih-Yuan Liu","A 1,3-Dihydro-1,3-azaborine Debuts","Journal of the American Chemical Society","2011","133","","20152","20155","10.1021/ja2097089","","","0.71073","MoKα","","0.0684","0.0472","","","0.1196","0.1346","","","","","","1.033","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107232","10.051","0.0007","13.3654","0.0009","24.4607","0.0017","90","","90","","90","","3285.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B Cr N2 O3 -","- C14 H21 B Cr N2 O3 -","- C112 H168 B8 Cr8 N16 O24 -","8","1","","Senmiao Xu; Lev N. Zakharov; Shih-Yuan Liu","A 1,3-Dihydro-1,3-azaborine Debuts","Journal of the American Chemical Society","2011","133","","20152","20155","10.1021/ja2097089","","","0.71073","MoKα","","0.0561","0.0485","","","0.1254","0.1323","","","","","","1.078","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107233","12.8296","0.0003","14.3749","0.0004","15.8508","0.0004","90","","90","","90","","2923.27","0.13","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H37 Cl F3 Fe O3 P4 S -","- C21 H37 Cl F3 Fe O3 P4 S -","- C84 H148 Cl4 F12 Fe4 O12 P16 S4 -","4","1","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0281","0.024","","","0.054","0.0554","","","","","","1.008","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107234","13.4127","0.0007","14.1127","0.0007","17.5241","0.001","66.813","0.001","67.956","0.001","81.356","0.002","2826.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H92 B2 Cl2 F48 Fe2 P8 -","- C98 H92 B2 Cl2 F48 Fe2 P8 -","- C98 H92 B2 Cl2 F48 Fe2 P8 -","1","0.5","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0571","0.0408","","","0.1045","0.1219","","","","","","1.049","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107235","15.5873","0.0006","28.0448","0.0012","21.4267","0.001","90","","90","","90","","9366.5","0.7","120","2","120","2","","","","","","","","8","P b c m","-P 2c 2b","57","4","compound 4 in the manuscript","","- C50 H99 Cl3 F6 Fe3 O6 P12 S2 -","- C50 H99 Cl3 F6 Fe3 O6 P12 S2 -","- C200 H396 Cl12 F24 Fe12 O24 P48 S8 -","4","0.5","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0749","0.0543","","","0.1783","0.195","","","","","","1.054","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107236","10.1264","0.0016","6.333","0.001","25.079","0.004","90","","96.011","0.007","90","","1599.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H25 Cu K N O3 -","- C11 H25 Cu K N O3 -","- C44 H100 Cu4 K4 N4 O12 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0545","0.045","","","0.11","0.1148","","","","","","1.125","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107237","6.202","0.002","19.855","0.008","16.646","0.007","90","","95.483","0.014","90","","2040.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Cu N2 Na O4 -","- C14 H32 Cu N2 Na O4 -","- C56 H128 Cu4 N8 Na4 O16 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0961","0.0456","","","0.0785","0.0923","","","","","","1.007","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107238","17.754","0.002","17.754","0.002","62.184","0.007","90","","90","","120","","16975","3","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H164 Cu6 I2 K8 N8 O20 -","- C71.94 H163.86 Cu6 I1.99 K8 N7.98 O19.98 -","- C431.64 H983.16 Cu36 I11.94 K48 N47.88 O119.88 -","6","0.166667","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0872","0.0576","","","0.1536","0.1722","","","","","","1.016","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107239","11.4005","0.0009","21.0308","0.0017","11.189","0.0009","90","","115.13","0.002","90","","2428.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl2 Cu2 O4 -","- C18 H36 Cl2 Cu2 O4 -","- C72 H144 Cl8 Cu8 O16 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0326","0.0266","","","0.0665","0.07","","","","","","1.044","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107240","11.3451","0.001","21.5829","0.0019","11.1733","0.001","90","","114.292","0.004","90","","2493.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Br2 Cu2 O4 -","- C18 H36 Br2 Cu2 O4 -","- C72 H144 Br8 Cu8 O16 -","4","1","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0686","0.0437","","","0.1005","0.1104","","","","","","1.04","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107241","11.848","0.001","8.5446","0.0007","16.2194","0.0014","90","","109.051","0.004","90","","1552.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H54 Cu2 O6 -","- C26 H54 Cu2 O6 -","- C52 H108 Cu4 O12 -","2","0.5","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0945","0.0868","","","0.2317","0.2367","","","","","","1.225","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107242","11.8758","0.0003","10.8214","0.0003","14.3329","0.0003","90","","96.883","0.001","90","","1828.69","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 Cu4 F6 O6 -","- C28 H54 Cu4 F6 O6 -","- C56 H108 Cu8 F12 O12 -","2","0.5","","Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin","Direct Cupration of Fluoroform","Journal of the American Chemical Society","2011","133","","20901","20913","10.1021/ja2081026","","","0.71073","MoKα","","0.0513","0.0362","","","0.0981","0.1078","","","","","","0.999","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107243","34.19","0.004","32.89","0.004","44.013","0.005","90","","110.32","0.003","90","","46413","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C1202 H1152 Cl36 Mn96 N192 O448 -","8","2","","Tu N. Nguyen; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","A Supramolecular Aggregate of Four Exchange-Biased Single-Molecule Magnets","Journal of the American Chemical Society","2011","133","","20688","20691","10.1021/ja2087344","","","0.71073","MoKα","","0.2135","0.074","","","0.1617","0.1886","","","","","","0.624","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107244","6.0794","0.0006","9.541","0.001","13.1014","0.0013","90","","102.299","0.002","90","","742.49","0.13","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C30 H34 Br2 O6 -","2","1","","Lizhu Gao; Geum-Sook Hwang; Do Hyun Ryu","Oxazaborolidinium Ion-Catalyzed Cyclopropanation of α-Substituted Acroleins: Enantioselective Synthesis of Cyclopropanes Bearing Two Chiral Quaternary Centers","Journal of the American Chemical Society","2011","133","","20708","20711","10.1021/ja209270e","","","0.71073","MoKα","","0.115","0.0588","","","0.1167","0.1984","","","","","","1.16","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107245","6.1744","0.0006","14.0656","0.0013","13.3422","0.0013","90","","96.472","0.002","90","","1151.34","0.19","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C48 H54 Br2 O8 -","2","1","","Lizhu Gao; Geum-Sook Hwang; Do Hyun Ryu","Oxazaborolidinium Ion-Catalyzed Cyclopropanation of α-Substituted Acroleins: Enantioselective Synthesis of Cyclopropanes Bearing Two Chiral Quaternary Centers","Journal of the American Chemical Society","2011","133","","20708","20711","10.1021/ja209270e","","","0.71073","MoKα","","0.1934","0.0556","","","0.1059","0.1862","","","","","","0.763","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107246","15.8891","0.0005","17.7816","0.0006","18.1462","0.0005","90","","103.302","0.001","90","","4989.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 B F19 S2 -","- C25 B F19 S2 -","- C200 B8 F152 S16 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0763","0.039","","","0.0888","0.0985","","","","","","1.036","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107247","19.7871","0.0005","8.1334","0.0002","20.1056","0.0005","90","","95.943","0.001","90","","3218.33","0.14","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H15 B F20 Si -","- C33 H15 B F20 Si -","- C132 H60 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0879","0.0429","","","0.0959","0.1074","","","","","","1.024","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107248","19.7831","0.0008","8.1266","0.0003","20.0827","0.0009","90","","95.903","0.002","90","","3211.6","0.2","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H15 B F20 Si -","- C33 H15 B F20 Si -","- C132 H60 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1023","0.0456","","","0.1021","0.1167","","","","","","0.949","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107249","9.2012","0.0002","44.1297","0.001","16.8661","0.0004","90","","97.472","0.001","90","","6790.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.79 H17.21 B F20.24 Si1.24 -","- C33.7875 H17.2125 B F20.2375 Si1.2375 -","- C270.3 H137.7 B8 F161.9 Si9.9 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1323","0.0613","","","0.1255","0.1408","","","","","","1.047","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107250","17.0809","0.0011","18.9831","0.0012","20.863","0.0014","90","","90","","90","","6764.8","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trimethylsilicenium Tetrakis(pentafluorophenyl)borate toluene solvate","","- C34 H17 B F20 Si -","- C34 H17 B F20 Si -","- C272 H136 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0932","0.0398","","","0.0778","0.0895","","","","","","0.964","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107251","17.0523","0.0004","18.985","0.0005","20.8924","0.0005","90","","90","","90","","6763.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.69 H17.08 B F20.08 Si1.08 -","- C33.6912 H17.0772 B F20.0772 Si1.0772 -","- C269.53 H136.618 B8 F160.618 Si8.6176 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0712","0.0385","","","0.0866","0.096","","","","","","1.035","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107252","14.9264","0.0005","17.9423","0.0007","16.8793","0.0006","90","","114.239","0.002","90","","4122","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C172 H116 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1089","0.0473","","","0.1101","0.1245","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107253","22.1413","0.0007","16.9067","0.0005","18.9409","0.0006","90","","92.176","0.001","90","","7085.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H21 B F20 Si -","- C36 H21 B F20 Si -","- C288 H168 B8 F160 Si8 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0718","0.0408","","","0.1009","0.1102","","","","","","1.051","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107254","10.4308","0.0003","21.5092","0.0007","16.7513","0.0005","90","","106.562","0.002","90","","3602.37","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H21 B F20 Si -","- C36 H21 B F20 Si -","- C144 H84 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0683","0.0457","","","0.1264","0.1364","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107255","17.2347","0.0006","12.7041","0.0004","31.2332","0.001","90","","94.011","0.001","90","","6821.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H19 B F20 Si -","- C35 H19 B F20 Si -","- C280 H152 B8 F160 Si8 -","8","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0859","0.0399","","","0.0897","0.0999","","","","","","1.034","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107256","14.4403","0.0007","18.165","0.0009","17.1757","0.0008","90","","114.682","0.001","90","","4093.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C172 H116 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0879","0.0456","","","0.1078","0.1183","","","","","","1.064","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107257","16.6384","0.0011","20.3523","0.0011","24.3708","0.0015","90","","90","","90","","8252.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C344 H232 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1089","0.051","","","0.1214","0.1378","","","","","","1.023","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107258","14.3401","0.0007","19.2559","0.001","16.861","0.0008","90","","113.164","0.002","90","","4280.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 B F20 Si -","- C45 H33 B F20 Si -","- C180 H132 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1057","0.0423","","","0.0887","0.1029","","","","","","0.947","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107259","14.8417","0.0011","18.3481","0.0013","17.1252","0.0011","90","","113.424","0.004","90","","4279.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 B F20 Si -","- C45 H33 B F20 Si -","- C180 H132 B4 F80 Si4 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1249","0.0444","","","0.0914","0.1069","","","","","","0.903","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107260","11.3883","0.0003","16.906","0.0005","22.5187","0.0006","85.883","0.001","84.99","0.001","72.901","0.001","4123.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.75 H30 B F20 Si -","- C42.75 H30 B F20 Si -","- C171 H120 B4 F80 Si4 -","4","2","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.083","0.0517","","","0.1347","0.1469","","","","","","1.068","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107261","6.331","0.0004","10.0315","0.0006","9.7425","0.0006","90","","95.923","0.004","90","","615.44","0.07","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-di-tert.butyl-benzene","","- C14 H22 -","- C14 H22 -","- C28 H44 -","2","0.5","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0746","0.0498","","","0.1343","0.1439","","","","","","1.047","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107262","18.378","0.003","18.378","0.003","27.486","0.008","90","","90","","120","","8040","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","11028","","","- C47 H72 Al N8 P3 -","- C47 H72 Al N8 P3 -","- C282 H432 Al6 N48 P18 -","6","0.333333","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.0665","0.0428","","","0.1183","0.1291","","","","","","1.173","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107263","11.228","0.005","14.192","0.007","14.309","0.006","70.763","0.006","80.53","0.006","82.984","0.006","2117.8","1.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","11037","","","- C85 H128 Al2 N8 Ni2 P6 -","- C85 H128 Al2 N8 Ni2 P6 -","- C85 H128 Al2 N8 Ni2 P6 -","1","0.5","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.0561","0.0363","","","0.0813","0.0877","","","","","","0.94","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107264","18.866","0.002","20.369","0.002","22.851","0.002","90","","103.512","0.001","90","","8538.2","1.4","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","11173","","","- C82 H130 Al2 Co2 N12 O P6 -","- C82 H130 Al2 Co2 N12 O P6 -","- C328 H520 Al8 Co8 N48 O4 P24 -","4","0.5","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.0821","0.0487","","","0.1067","0.1228","","","","","","1.022","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107265","15.5732","0.0019","15.5732","0.0019","25.258","0.003","90","","90","","120","","5305","1.1","123","2","123","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","11201","","","- C78 H120 Al2 Fe2 N10 P6 -","- C78 H120 Al2 Fe2 N10 P6 -","- C156 H240 Al4 Fe4 N20 P12 -","2","0.166667","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.062","0.047","","","0.1333","0.142","","","","","","1.043","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107266","16.8651","0.0007","4.0766","0.0002","15.1319","0.0007","90","","91.083","0.003","90","","1040.17","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Vinayak Vishnu Pagar; Appaso Mahadev Jadhav; Rai-Shung Liu","Gold-Catalyzed Formal [3 + 3] and [4 + 2] Cycloaddition Reactions of Nitrosobenzenes with Alkenylgold Carbenoids","Journal of the American Chemical Society","2011","133","","20728","20731","10.1021/ja209980d","","","1.54178","CuKα","","0.0474","0.0418","","","0.1171","0.1238","","","","","","1.06","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107267","18.1039","0.001","10.4762","0.0006","22.3799","0.0012","90","","99.242","0.001","90","","4189.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C192 H176 N16 O24 -","8","1","","Vinayak Vishnu Pagar; Appaso Mahadev Jadhav; Rai-Shung Liu","Gold-Catalyzed Formal [3 + 3] and [4 + 2] Cycloaddition Reactions of Nitrosobenzenes with Alkenylgold Carbenoids","Journal of the American Chemical Society","2011","133","","20728","20731","10.1021/ja209980d","","","0.71073","MoKα","","0.0657","0.0467","","","0.1149","0.13","","","","","","1.041","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107268","6.965","0.003","11.584","0.004","26.372","0.01","90","","90","","90","","2127.8","1.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O7 -","- C21 H26 N2 O7 -","- C84 H104 N8 O28 -","4","1","","Hun Young Kim; Jian-Yuan Li; Sungkyung Kim; Kyungsoo Oh","Stereodivergency in Catalytic Asymmetric Conjugate Addition Reactions of Glycine (Ket)imines","Journal of the American Chemical Society","2011","133","","20750","20753","10.1021/ja2100356","","","0.71073","MoKα","","0.0448","0.0322","","0.0778","0.0746","0.0778","","","","","","1","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107269","13.241","0.0006","20.3202","0.0009","21.5275","0.001","90","","101.408","0.002","90","","5677.8","0.4","100","","100","","","","","","","","dichloromethane,pentane","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H86 B3 F12 N6 O P -","- C45 H86 B3 F12 N6 O P -","- C180 H344 B12 F48 N24 O4 P4 -","4","1","","Jekaterina Petuškova; Mahendra Patil; Sigrid Holle; Christian W. Lehmann; Walter Thiel; Manuel Alcarazo","Synthesis, Structure, and Reactivity of Carbene-Stabilized Phosphorus(III)-Centered Trications [L3P]3+","Journal of the American Chemical Society","2011","133","","20758","20760","10.1021/ja210223s","","","1.54178","Cu-Kα","","0.0527","0.05","","","0.1255","0.1279","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107270","11.1859","0.0013","12.7423","0.0015","16.686","0.002","80.587","0.002","87.289","0.002","85.177","0.002","2336.6","0.5","200","","200","","","","","","","","dichloromethane,dimethylsulfoxide","7","P -1","-P 1","2","","","","- C25 H44 Cl13 N6 O8 P Pt -","- C25 H44 Cl13 N6 O8 P Pt -","- C50 H88 Cl26 N12 O16 P2 Pt2 -","2","1","","Jekaterina Petuškova; Mahendra Patil; Sigrid Holle; Christian W. Lehmann; Walter Thiel; Manuel Alcarazo","Synthesis, Structure, and Reactivity of Carbene-Stabilized Phosphorus(III)-Centered Trications [L3P]3+","Journal of the American Chemical Society","2011","133","","20758","20760","10.1021/ja210223s","","","0.71073","Mo-Kα","","0.0426","0.0337","","","0.0908","0.0963","","","","","","1.046","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107271","22.6931","0.0016","8.9674","0.0006","23.7379","0.0017","90","","104.285","0.001","90","","4681.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H70 Cl O2 P W -","- C49 H70 Cl O2 P W -","- C196 H280 Cl4 O8 P4 W4 -","4","1","","Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda","Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes","Journal of the American Chemical Society","2011","133","","20754","20757","10.1021/ja210349m","","","0.71073","MoKα","","0.0264","0.0197","","","0.0403","0.0422","","","","","","1.022","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107272","14.7275","0.0018","15.986","0.002","19.325","0.002","90","","110.046","0.002","90","","4274.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 N O2 W -","- C47 H67 N O2 W -","- C188 H268 N4 O8 W4 -","4","1","","Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda","Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes","Journal of the American Chemical Society","2011","133","","20754","20757","10.1021/ja210349m","","","0.71073","MoKα","","0.0413","0.0333","","","0.0754","0.0775","","","","","","1.076","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107273","13.4162","0.0007","13.5775","0.0007","14.7782","0.0008","71.833","0.001","65.515","0.001","83.655","0.001","2327.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50.5 H72 N O2 P W -","- C50.5 H72 N O2 P W -","- C101 H144 N2 O4 P2 W2 -","2","1","","Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda","Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes","Journal of the American Chemical Society","2011","133","","20754","20757","10.1021/ja210349m","","","0.71073","MoKα","","0.038","0.0287","","","0.0576","0.0609","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107274","13.2954","0.0011","21.6218","0.0018","16.9582","0.0015","90","","93.976","0.002","90","","4863.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H43 B F15 N O2 W -","- C53 H43 B F15 N O2 W -","- C212 H172 B4 F60 N4 O8 W4 -","4","1","","Dmitry V. Peryshkov; Richard R. Schrock; Michael K. Takase; Peter Müller; Amir H. Hoveyda","Z-Selective Olefin Metathesis Reactions Promoted by Tungsten Oxo Alkylidene Complexes","Journal of the American Chemical Society","2011","133","","20754","20757","10.1021/ja210349m","","","0.71073","MoKα","","0.0391","0.0262","","","0.0529","0.0574","","","","","","1.027","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4324073","35.218","0.006","9.3465","0.0016","20.861","0.004","90","","120.613","0.002","90","","5909.7","1.8","151","2","151","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H41 N2 O2 Rh -","- C31 H41 N2 O2 Rh -","- C248 H328 N16 O16 Rh8 -","8","1","","David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk","Redox Behavior of Rhodium 9,10-Phenanthrenediimine Complexes","Inorganic Chemistry","2011","50","","13","21","10.1021/ic1007632","","","0.71073","MoKα","","0.0245","0.0209","","","0.0528","0.0554","","","","","","1.052","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324074","12.5891","0.0007","24.1291","0.0013","22.6328","0.0012","90","","105.223","0.001","90","","6633.8","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H99 K N4 O9 Rh -","- C67 H99 K N4 O9 Rh -","- C268 H396 K4 N16 O36 Rh4 -","4","1","","David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk","Redox Behavior of Rhodium 9,10-Phenanthrenediimine Complexes","Inorganic Chemistry","2011","50","","13","21","10.1021/ic1007632","","","0.71073","MoKα","","0.0615","0.0376","","","0.0785","0.0874","","","","","","0.997","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324075","19.693","0.004","10.332","0.002","21.767","0.004","90","","116.54","0.03","90","","3962.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N2 O2 Ti -","- C44 H58 N2 O2 Ti -","- C176 H232 N8 O8 Ti4 -","4","1","","Dapeng Zhao; Bo Gao; Wei Gao; Xuyang Luo; Duihai Tang; Ying Mu; Ling Ye","New Titanium Complexes with Symmetric or Asymmetric cis-9,10-Dihydrophenanthrenediamide Ligands Formed through Sequential Intramolecular C-C Bond-Forming Reactions","Inorganic Chemistry","2011","50","","30","36","10.1021/ic1008768","","","0.71073","MoKα","","0.1213","0.0603","","","0.1259","0.151","","","","","","1.029","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324076","12.937","0.003","19.908","0.004","14.199","0.003","90","","102.68","0.03","90","","3567.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C160 H212 N8 O8 Ti4 -","- C160 H199.12 N8 O8 Ti4 -","- C160 H199.12 N8 O8 Ti4 -","1","0.25","","Dapeng Zhao; Bo Gao; Wei Gao; Xuyang Luo; Duihai Tang; Ying Mu; Ling Ye","New Titanium Complexes with Symmetric or Asymmetric cis-9,10-Dihydrophenanthrenediamide Ligands Formed through Sequential Intramolecular C-C Bond-Forming Reactions","Inorganic Chemistry","2011","50","","30","36","10.1021/ic1008768","","","0.71073","MoKα","","0.2865","0.0988","","","0.1829","0.2509","","","","","","0.967","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324077","17.169","0.0008","21.0622","0.001","20.0823","0.001","90","","98.021","0.001","90","","7191.1","0.6","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N2 O2 Ti -","- C40 H50 N2 O2 Ti -","- C320 H400 N16 O16 Ti8 -","8","2","","Dapeng Zhao; Bo Gao; Wei Gao; Xuyang Luo; Duihai Tang; Ying Mu; Ling Ye","New Titanium Complexes with Symmetric or Asymmetric cis-9,10-Dihydrophenanthrenediamide Ligands Formed through Sequential Intramolecular C-C Bond-Forming Reactions","Inorganic Chemistry","2011","50","","30","36","10.1021/ic1008768","","","0.71073","MoKα","","0.0898","0.0535","","","0.1275","0.147","","","","","","1.009","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324078","11.2356","0.0008","12.859","0.0009","18.0523","0.0013","88.233","0.001","82.722","0.001","82.574","0.001","2565.2","0.3","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H71 Cl2 N3 O Ti -","- C59 H71 Cl2 N3 O Ti -","- C118 H142 Cl4 N6 O2 Ti2 -","2","1","","Dapeng Zhao; Bo Gao; Wei Gao; Xuyang Luo; Duihai Tang; Ying Mu; Ling Ye","New Titanium Complexes with Symmetric or Asymmetric cis-9,10-Dihydrophenanthrenediamide Ligands Formed through Sequential Intramolecular C-C Bond-Forming Reactions","Inorganic Chemistry","2011","50","","30","36","10.1021/ic1008768","","","0.71073","MoKα","","0.0712","0.0573","","","0.146","0.1582","","","","","","1.03","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324079","12.5661","0.0007","20.3194","0.0012","12.8467","0.0007","90","","91.886","0.002","90","","3278.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C59 H47 Cl7 N14 O13 Os2 -","- C59 H47 Cl7 N14 O13 Os2 -","- C118 H94 Cl14 N28 O26 Os4 -","2","0.5","","Debasish Saha; Shyamal Das; Dinesh Maity; Supriya Dutta; Sujoy Baitalik","Synthesis, Structural Characterization, and Photophysical, Electrochemical, Intercomponent Energy-Transfer, and Anion-Sensing Studies of Imidazole 4,5-Bis(benzimidazole)-Bridged OsIIOsII and RuIIOsII Bipyridine Complexes","Inorganic Chemistry","2011","50","","46","61","10.1021/ic100905u","","","0.71073","MoKα","","0.0674","0.0619","","","0.2125","0.2174","","","","","","1.242","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324080","12.4677","0.0006","21.8071","0.0011","23.6161","0.0012","90","","90.206","0.002","90","","6420.8","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H43 Cl3 N14 O12 Os Ru -","- C57 H43 Cl3 N14 O12 Os Ru -","- C228 H172 Cl12 N56 O48 Os4 Ru4 -","4","1","","Debasish Saha; Shyamal Das; Dinesh Maity; Supriya Dutta; Sujoy Baitalik","Synthesis, Structural Characterization, and Photophysical, Electrochemical, Intercomponent Energy-Transfer, and Anion-Sensing Studies of Imidazole 4,5-Bis(benzimidazole)-Bridged OsIIOsII and RuIIOsII Bipyridine Complexes","Inorganic Chemistry","2011","50","","46","61","10.1021/ic100905u","","","0.71073","MoKα","","0.1119","0.0726","","","0.1944","0.209","","","","","","1.157","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324081","15.9329","0.0004","8.3475","0.0003","22.8808","0.0007","90","","110.298","0.001","90","","2854.17","0.15","233","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 B Fe N O2 Si2 -","- C26 H38 B Fe N O2 Si2 -","- C104 H152 B4 Fe4 N4 O8 Si8 -","4","1","","Holger Braunschweig; Qing Ye; Krzysztof Radacki; Peter Brenner; Gernot Frenking; Susmita De","Borylene-Based Functionalization of Iron-Alkynyl-σ-Complexes and Stepwise Reversible Metal-Boryl-to-Borirene Transformation: Synthesis, Characterization, and Density Functional Theory Studies","Inorganic Chemistry","2011","50","","62","71","10.1021/ic1010874","","","0.71073","MoKα","","0.0377","0.0286","","","0.0859","0.0998","","","","","","1.163","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324082","7.2055","0.0008","19.729","0.002","19.868","0.002","71.52","0.005","83.681","0.005","85.313","0.005","2659.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H38 B Fe N O Si2 -","- C25 H38 B Fe N O Si2 -","- C100 H152 B4 Fe4 N4 O4 Si8 -","4","2","","Holger Braunschweig; Qing Ye; Krzysztof Radacki; Peter Brenner; Gernot Frenking; Susmita De","Borylene-Based Functionalization of Iron-Alkynyl-σ-Complexes and Stepwise Reversible Metal-Boryl-to-Borirene Transformation: Synthesis, Characterization, and Density Functional Theory Studies","Inorganic Chemistry","2011","50","","62","71","10.1021/ic1010874","","","0.71073","MoKα","","0.0346","0.03","","","0.0791","0.0826","","","","","","1.043","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324083","8.0512","0.0007","18.0246","0.0014","38.492","0.003","90","","90","","90","","5585.9","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H38 B Fe N O2 Si2 -","- C26 H38 B Fe N O2 Si2 -","- C208 H304 B8 Fe8 N8 O16 Si16 -","8","1","","Holger Braunschweig; Qing Ye; Krzysztof Radacki; Peter Brenner; Gernot Frenking; Susmita De","Borylene-Based Functionalization of Iron-Alkynyl-σ-Complexes and Stepwise Reversible Metal-Boryl-to-Borirene Transformation: Synthesis, Characterization, and Density Functional Theory Studies","Inorganic Chemistry","2011","50","","62","71","10.1021/ic1010874","","","0.71073","MoKα","","0.0478","0.0359","","","0.0802","0.0857","","","","","","1.237","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324084","8.9941","0.0005","11.8876","0.0006","15.4367","0.0008","92.142","0.002","98.88","0.002","109.052","0.002","1534.54","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H47 B Fe N O P Si2 -","- C28 H47 B Fe N O P Si2 -","- C56 H94 B2 Fe2 N2 O2 P2 Si4 -","2","1","","Holger Braunschweig; Qing Ye; Krzysztof Radacki; Peter Brenner; Gernot Frenking; Susmita De","Borylene-Based Functionalization of Iron-Alkynyl-σ-Complexes and Stepwise Reversible Metal-Boryl-to-Borirene Transformation: Synthesis, Characterization, and Density Functional Theory Studies","Inorganic Chemistry","2011","50","","62","71","10.1021/ic1010874","","","0.71073","MoKα","","0.0343","0.0306","","","0.0804","0.0833","","","","","","1.05","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324085","4.739","0.0005","4.739","0.0005","5.1875","0.0008","90","","90","","120","","100.89","0.02","100","2","100","2","","","","","","","synthetic","2","P 31 2 1","P 31 2""","152","","","","- Be F2 -","- Be F2 -","- Be3 F6 -","3","0.5","","Ghalsasi, Pallavi; Ghalsasi, Prasanna S.","Single Crystal X-Ray Structure of BeF2: α-Quartz","Inorganic Chemistry","2011","50","1","86","89","10.1021/ic101248g","","","0.71073","MoKα","","0.0187","0.0186","","","0.0409","0.041","","","","","","1.141","","","","has coordinates","210951","2020-10-21","18:00:00",""
"4324086","15.187","0.003","11.127","0.002","7.762","0.001","90","","112.66","0.01","90","","1210.4","0.4","95","2","95","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dodecahydro-arachno-bis-acetonitrile","","","- C4 H18 B10 N2 -","- C4 H18 B10 N2 -","- C16 H72 B40 N8 -","4","0.5","","Stefan Mebs; Roman Kalinowski; Simon Grabowsky; Diana Förster; Rainer Kickbusch; Eugen Justus; Wolfgang Morgenroth; Carsten Paulmann; Peter Luger; Detlef Gabel; Dieter Lentz","Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes","Inorganic Chemistry","2011","50","","90","103","10.1021/ic1013158","","","0.71073","MoKα","","0.045","0.017","","","","0.03","0.021","","","","","0.604","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324087","9.232","0.002","9.437","0.002","14.613","0.003","86.66","0.03","83.88","0.03","72.83","0.03","1209","0.5","9","2","9","2","","","","","","","","5","P -1","-P 1","2","2,2'-bispyridilium decahydro-closo-decaborate(2-)","","","- C20 H30 B10 N4 O -","- C20 H30 B10 N4 O -","- C40 H60 B20 N8 O2 -","2","1","","Stefan Mebs; Roman Kalinowski; Simon Grabowsky; Diana Förster; Rainer Kickbusch; Eugen Justus; Wolfgang Morgenroth; Carsten Paulmann; Peter Luger; Detlef Gabel; Dieter Lentz","Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes","Inorganic Chemistry","2011","50","","90","103","10.1021/ic1013158","","","0.5166","synchrotron","","0.039","0.021","","","","0.048","0.032","","","","","0.574","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324088","17.863","0.004","7.316","0.002","7.177","0.001","90","","90","","90","","937.9","0.4","9","2","9","2","","","","","","","","3","P n m a","-P 2ac 2n","62","dodecahydro-arachno-bis-amine","","","- B10 H18 N2 -","- B10 H18 N2 -","- B40 H72 N8 -","4","0.5","","Stefan Mebs; Roman Kalinowski; Simon Grabowsky; Diana Förster; Rainer Kickbusch; Eugen Justus; Wolfgang Morgenroth; Carsten Paulmann; Peter Luger; Detlef Gabel; Dieter Lentz","Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes","Inorganic Chemistry","2011","50","","90","103","10.1021/ic1013158","","","0.5166","synchrotron","","0.056","0.025","","","","0.061","0.036","","","","","0.448","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324089","9.92","0.002","9.19","0.002","11.841","0.002","90","","95.88","0.03","90","","1073.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lutidinium dodecahydro-closo-dodecaborate(2-)","","","- C14 H32 B12 N2 -","- C14 H32 B12 N2 -","- C28 H64 B24 N4 -","2","0.5","","Stefan Mebs; Roman Kalinowski; Simon Grabowsky; Diana Förster; Rainer Kickbusch; Eugen Justus; Wolfgang Morgenroth; Carsten Paulmann; Peter Luger; Detlef Gabel; Dieter Lentz","Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes","Inorganic Chemistry","2011","50","","90","103","10.1021/ic1013158","","","0.56","synchrotron","","0.069","0.033","","","","0.083","0.047","","","","","0.594","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324090","11.1199","0.0006","8.6895","0.0004","22.5886","0.0011","90","","103.127","0.001","90","","2125.62","0.18","148","2","148","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(N2N2)TiCl2","","","- C18 H32 Cl2 N4 O2 Ti -","- C18 H32 Cl2 N4 O2 Ti -","- C72 H128 Cl8 N16 O8 Ti4 -","4","1","","Géza Szigethy; Alan F. Heyduk","Steric and Electronic Consequences of Flexibility in a Tetradentate Redox-Active Ligand: Ti(IV) and Zr(IV) Complexes","Inorganic Chemistry","2011","50","","125","135","10.1021/ic101468p","","","0.71073","MoKα","","0.0467","0.0337","","","0.081","0.0873","","","","","","1.026","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324091","8.0438","0.0004","10.2298","0.0005","27.4376","0.0014","90","","90","","90","","2257.7","0.2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Zirconium (N2N2) Dichloride complex","","","- C18 H32 Cl2 N4 O2 Zr -","- C18 H32 Cl2 N4 O2 Zr -","- C72 H128 Cl8 N16 O8 Zr4 -","4","1","","Géza Szigethy; Alan F. Heyduk","Steric and Electronic Consequences of Flexibility in a Tetradentate Redox-Active Ligand: Ti(IV) and Zr(IV) Complexes","Inorganic Chemistry","2011","50","","125","135","10.1021/ic101468p","","","0.71073","MoKα","","0.0169","0.0166","","","0.0437","0.0439","","","","","","1.077","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324092","9.6998","0.0007","10.7251","0.0007","11.599","0.0008","80.37","0.001","76.523","0.001","72.188","0.001","1111.16","0.13","152","2","152","2","","","","","","","","5","P -1","-P 1","2","(N2N2)Ti(N3)2","","","- C18 H32 N10 O2 Ti -","- C18 H32 N10 O2 Ti -","- C36 H64 N20 O4 Ti2 -","2","1","","Géza Szigethy; Alan F. Heyduk","Steric and Electronic Consequences of Flexibility in a Tetradentate Redox-Active Ligand: Ti(IV) and Zr(IV) Complexes","Inorganic Chemistry","2011","50","","125","135","10.1021/ic101468p","","","0.71073","MoKα","","0.0648","0.047","","","0.1079","0.1165","","","","","","1.052","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324093","11.1838","0.0006","10.1818","0.0006","22.1409","0.0012","90","","94.552","0.001","90","","2513.3","0.2","149","2","149","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(N2N2)Ti=N(p-tol)]2","","","- C50 H78 N10 O4 Ti2 -","- C50 H78 N10 O4 Ti2 -","- C100 H156 N20 O8 Ti4 -","2","0.5","","Géza Szigethy; Alan F. Heyduk","Steric and Electronic Consequences of Flexibility in a Tetradentate Redox-Active Ligand: Ti(IV) and Zr(IV) Complexes","Inorganic Chemistry","2011","50","","125","135","10.1021/ic101468p","","","0.71073","MoKα","","0.0513","0.0365","","","0.0925","0.1011","","","","","","1.033","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324094","17.8226","0.0002","20.226","0.0002","37.2304","0.0006","90","","100.219","0.001","90","","13207.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- H262 K8 Li4 Mn14 O315 P8 W48 -","- K8.4 Li2 Mn12.6 O244.2 P8 W48 -","- K16.8 Li4 Mn25.2 O488.4 P16 W96 -","2","0.5","","Scott G. Mitchell; Thomas Boyd; Haralampos N. Miras; De-Liang Long; Leroy Cronin","Extended Polyoxometalate Framework Solids: Two Mn(II)-Linked {P8W48} Network Arrays","Inorganic Chemistry","2011","50","","136","143","10.1021/ic101472s","","","0.71073","MoKα","","0.09","0.0534","","","0.1211","0.1316","","","","","","1.053","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324095","45.766","0.003","14.3753","0.0008","26.618","0.003","90","","123.916","0.005","90","","14532","2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- H282 K12 Mn14 O325 P8 W48 -","- K10.8 Mn14 O252 P8 W48 -","- K21.6 Mn28 O504 P16 W96 -","2","0.25","","Scott G. Mitchell; Thomas Boyd; Haralampos N. Miras; De-Liang Long; Leroy Cronin","Extended Polyoxometalate Framework Solids: Two Mn(II)-Linked {P8W48} Network Arrays","Inorganic Chemistry","2011","50","","136","143","10.1021/ic101472s","","","0.71073","MoKα","","0.16","0.1251","","","0.3172","0.3403","","","","","","1.16","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324096","5.2667","0.0011","5.8284","0.0012","7.3005","0.0015","90.57","0.03","105.73","0.03","98.93","0.03","212.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Co0.5 H5 N2 O4 S -","- Co0.5 H4 N2 O4 S -","- Co H8 N4 O8 S2 -","2","1","","Li-Hui Jia; Ru-Yin Li; Zhi-Ming Duan; Shang-Da Jiang; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Hydrothermal Synthesis, Structures and Magnetic Studies of Transition Metal Sulfates Containing Hydrazine","Inorganic Chemistry","2011","50","","144","154","10.1021/ic101488k","","","0.71073","MoKα","","0.0304","0.0247","","","0.0623","0.0645","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324097","5.2667","0.0011","5.8284","0.0012","7.3005","0.0015","90.57","0.03","105.73","0.03","98.93","0.03","212.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H5 N2 Ni0.5 O4 S -","- H5 N2 Ni0.5 O4 S -","- H10 N4 Ni O8 S2 -","2","1","","Li-Hui Jia; Ru-Yin Li; Zhi-Ming Duan; Shang-Da Jiang; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Hydrothermal Synthesis, Structures and Magnetic Studies of Transition Metal Sulfates Containing Hydrazine","Inorganic Chemistry","2011","50","","144","154","10.1021/ic101488k","","","0.71073","MoKα","","0.0338","0.0281","","","0.0716","0.0737","","","","","","1.132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324098","6.302","0.0013","7.6219","0.0015","8.8799","0.0018","90","","90","","90","","426.53","0.15","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- Co H4 N2 O4 S -","- Co H4 N2 O4 S -","- Co4 H16 N8 O16 S4 -","4","0.5","","Li-Hui Jia; Ru-Yin Li; Zhi-Ming Duan; Shang-Da Jiang; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Hydrothermal Synthesis, Structures and Magnetic Studies of Transition Metal Sulfates Containing Hydrazine","Inorganic Chemistry","2011","50","","144","154","10.1021/ic101488k","","","0.71073","MoKα","","0.0218","0.0183","","","0.0503","0.0515","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324099","6.4122","0.0013","7.8799","0.0016","9.0745","0.0018","90","","90","","90","","458.51","0.16","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- H4 Mn N2 O4 S -","- H4 Mn N2 O4 S -","- H16 Mn4 N8 O16 S4 -","4","0.5","","Li-Hui Jia; Ru-Yin Li; Zhi-Ming Duan; Shang-Da Jiang; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","Hydrothermal Synthesis, Structures and Magnetic Studies of Transition Metal Sulfates Containing Hydrazine","Inorganic Chemistry","2011","50","","144","154","10.1021/ic101488k","","","0.71073","MoKα","","0.0375","0.0273","","","0.0755","0.0777","","","","","","1.066","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324100","17.1065","0.0006","9.685","0.0003","13.2882","0.0005","90","","113.621","0.001","90","","2017.09","0.12","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C88 H128 N8 O8 -","4","0.5","","Julia B. H. Strautmann; Carl-Georg Freiherr von Richthofen; Gabriele Heinze-Brückner; Serena DeBeer; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Molecular and Electronic Structures of Dinuclear Iron Complexes Incorporating Strongly Electron-Donating Ligands: Implications for the Generation of the One- and Two-Electron Oxidized Forms","Inorganic Chemistry","2011","50","","155","171","10.1021/ic101535y","","","0.71073","MoKα","","0.041","0.0374","","","0.1074","0.1121","","","","","","1","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324101","24.6578","0.0016","9.4218","0.0006","8.3806","0.0005","90","","96.41","0.001","90","","1934.8","0.2","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl4 N2 O2 -","- C18 H20 Cl4 N2 O2 -","- C72 H80 Cl16 N8 O8 -","4","0.5","","Julia B. H. Strautmann; Carl-Georg Freiherr von Richthofen; Gabriele Heinze-Brückner; Serena DeBeer; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Molecular and Electronic Structures of Dinuclear Iron Complexes Incorporating Strongly Electron-Donating Ligands: Implications for the Generation of the One- and Two-Electron Oxidized Forms","Inorganic Chemistry","2011","50","","155","171","10.1021/ic101535y","","","0.71073","MoKα","","0.0437","0.0304","","","0.0745","0.0806","","","","","","1","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324102","25.1515","0.0014","9.797","0.0004","17.4994","0.0008","90","","101.481","0.003","90","","4225.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 Fe2 N4 O5 -","- C44 H60 Fe2 N4 O5 -","- C176 H240 Fe8 N16 O20 -","4","1","","Julia B. H. Strautmann; Carl-Georg Freiherr von Richthofen; Gabriele Heinze-Brückner; Serena DeBeer; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Molecular and Electronic Structures of Dinuclear Iron Complexes Incorporating Strongly Electron-Donating Ligands: Implications for the Generation of the One- and Two-Electron Oxidized Forms","Inorganic Chemistry","2011","50","","155","171","10.1021/ic101535y","","","0.71073","MoKα","","0.0814","0.0632","","","0.1464","0.1573","","","","","","1.079","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324103","12.3129","0.0004","12.8023","0.0004","15.0608","0.0005","96.678","0.001","100.681","0.001","114.82","0.001","2066.72","0.12","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cl8 Fe2 N4 O5 -","- C36 H36 Cl8 Fe2 N4 O5 -","- C72 H72 Cl16 Fe4 N8 O10 -","2","1","","Julia B. H. Strautmann; Carl-Georg Freiherr von Richthofen; Gabriele Heinze-Brückner; Serena DeBeer; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Molecular and Electronic Structures of Dinuclear Iron Complexes Incorporating Strongly Electron-Donating Ligands: Implications for the Generation of the One- and Two-Electron Oxidized Forms","Inorganic Chemistry","2011","50","","155","171","10.1021/ic101535y","","","0.71073","MoKα","","0.0372","0.0316","","","0.0799","0.0852","","","","","","1.026","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324104","10.8501","0.0008","13.3748","0.001","17.3645","0.0013","73.119","0.001","81.38","0.001","88.612","0.001","2383.6","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H38 Cl10 Fe2 N4 O5 -","- C37 H38 Cl10 Fe2 N4 O5 -","- C74 H76 Cl20 Fe4 N8 O10 -","2","1","","Julia B. H. Strautmann; Carl-Georg Freiherr von Richthofen; Gabriele Heinze-Brückner; Serena DeBeer; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Molecular and Electronic Structures of Dinuclear Iron Complexes Incorporating Strongly Electron-Donating Ligands: Implications for the Generation of the One- and Two-Electron Oxidized Forms","Inorganic Chemistry","2011","50","","155","171","10.1021/ic101535y","","","0.71073","MoKα","","0.07","0.0611","","","0.1713","0.1812","","","","","","1.118","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324105","12.413","0.02","12.413","0.02","23.03","0.04","90","","90","","90","","3549","10","243.1","","243.1","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C30 H12 Fe N6 O8 -","- C30 H12 Fe N6 O8 -","- C120 H48 Fe4 N24 O32 -","4","0.125","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.7107","MoKα","","","0.0873","","","","0.1036","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324106","17.2926","0.0004","17.2926","0.0004","22.8962","0.0008","90","","90","","90","","6846.7","0.3","133.1","","133.1","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C29 H33 Fe N6 O7 -","- C29 H33 Fe N6 O7 -","- C232 H264 Fe8 N48 O56 -","8","1","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.71075","MoKα","","","0.0749","","","","0.1039","","","","","","1.139","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324107","17.302","0.008","17.302","0.008","22.789","0.011","90","","90","","90","","6822","6","223.1","","223.1","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 Co N6 O8 -","- C30 Co N6 O8 -","- C240 Co8 N48 O64 -","8","0.5","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.7107","MoKα","","","0.0869","","","","0.1209","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324108","17.571","0.014","17.571","0.014","23.404","0.018","90","","90","","90","","7226","10","223.1","","223.1","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H10 Cd N6 O8 -","- C30 H12 Cd N6 O8 -","- C240 H96 Cd8 N48 O64 -","8","0.5","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.7107","MoKα","","","0.0504","","","","0.056","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324109","12.377","0.013","12.377","0.013","22.9","0.02","90","","90","","90","","3508","6","213.1","","213.1","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- C22 H12 Fe N6 -","- C22 H12 Fe N6 -","- C88 H48 Fe4 N24 -","4","0.125","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.7107","MoKα","","","0.0853","","","","0.0806","","","","","","0.841","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324110","17.4656","0.0007","17.4656","0.0007","23.0745","0.0011","90","","90","","90","","7038.8","0.5","293.1","","293.1","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C22 H12 Fe N6 -","- C22 H12 Fe N6 -","- C176 H96 Fe8 N48 -","8","0.5","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.71075","MoKα","","","0.1776","","","","0.2072","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324111","28.794","0.002","28.794","0.002","20.603","0.004","90","","90","","120","","14793","3","106","2","106","2","","","","","","","","2","P 63 c m","P 6c -2","185","SU-63","","","- Ge21 O51 -","- Ge21 O51 -","- Ge126 O306 -","6","0.5","","Bing Guo; Andrew K. Inge; Charlotte Bonneau; Junliang Sun; Kirsten E. Christensen; Zhong-Yong Yuan; Xiaodong Zou","Investigation of the GeO2-1,6-Diaminohexane-Water-Pyridine-HF Phase Diagram Leading to the Discovery of Two Novel Layered Germanates with Extra-Large Rings","Inorganic Chemistry","2011","50","","201","207","10.1021/ic1017505","","x-ray","0.908","synchrotron","","0.1112","0.0851","","","0.2163","0.2422","","","","","","1.03","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324112","12.101","0.004","18.113","0.006","22.444","0.008","87.861","0.011","89.5","0.017","83.173","0.013","4881","3","293","2","150","2","","","","","","","","4","P -1","-P 1","2","SU-64","","","- C42 Ge51 N14 O136 -","- C42 Ge51 N14 O136 -","- C42 Ge51 N14 O136 -","1","0.5","","Bing Guo; Andrew K. Inge; Charlotte Bonneau; Junliang Sun; Kirsten E. Christensen; Zhong-Yong Yuan; Xiaodong Zou","Investigation of the GeO2-1,6-Diaminohexane-Water-Pyridine-HF Phase Diagram Leading to the Discovery of Two Novel Layered Germanates with Extra-Large Rings","Inorganic Chemistry","2011","50","","201","207","10.1021/ic1017505","","","0.6889","synchrotron","","0.1922","0.1296","","","0.3363","0.3799","","","","","","1.049","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324113","12.5938","0.0006","12.8664","0.0008","19.0257","0.001","90","","90","","90","","3082.9","0.3","93.1","","93.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 Br0.12 Cl1.88 Co N5 O10.52 -","- C24 H44 Br0.12 Cl1.88 Co N5 O10.52 -","- C96 H176 Br0.48 Cl7.52 Co4 N20 O42.08 -","4","1","","Shohei Tashiro; Yasuyo Ogura; Sei Tsuboyama; Kaoru Tsuboyama; Mitsuhiko Shionoya","Chiral Recognition of α-Amino Acids by an Optically Active (2S,5S,8S,11S)-2,5,8,11-Tetraethyl Cyclen Cobalt(III) Complex","Inorganic Chemistry","2011","50","","4","6","10.1021/ic101760k","","","0.71075","MoKα","","","0.0484","","","","0.099","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324114","12.5046","0.0012","12.9421","0.0012","19.3464","0.0018","90","","90","","90","","3130.9","0.5","93.1","","93.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 Cl2 Co N5 O11 -","- C24 H44 Cl2 Co N5 O11 -","- C96 H176 Cl8 Co4 N20 O44 -","4","1","","Shohei Tashiro; Yasuyo Ogura; Sei Tsuboyama; Kaoru Tsuboyama; Mitsuhiko Shionoya","Chiral Recognition of α-Amino Acids by an Optically Active (2S,5S,8S,11S)-2,5,8,11-Tetraethyl Cyclen Cobalt(III) Complex","Inorganic Chemistry","2011","50","","4","6","10.1021/ic101760k","","","0.71075","MoKα","","","0.0667","","","","0.1677","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324115","19.9611","0.0009","19.9611","0.0009","19.9611","0.0009","90","","90","","90","","7953.4","0.6","100","2","100","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C12 H4 Ga O8 -","- C12 H4 Ga O8 -","- C144 H48 Ga12 O96 -","12","0.25","","Debasis Banerjee; Sun Jin Kim; Haohan Wu; Wenqian Xu; Lauren A. Borkowski; Jing Li; John B. Parise","Anionic Gallium-Based Metal-Organic Framework and Its Sorption and Ion-Exchange Properties","Inorganic Chemistry","2011","50","","208","212","10.1021/ic101789u","","","0.41328","synchrotron","","0.0306","0.0263","","","0.0598","0.0608","","","","","","1.07","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324116","16.0692","0.0015","20.818","0.002","24.081","0.002","90","","90","","90","","8055.8","1.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","hydrogenocyanocobalamin tetrafluoroacetate tetradecahydrate","","","- C65 H117 Co F3 N14 O30 P -","- C65 H117 Co F3 N14 O30 P -","- C260 H468 Co4 F12 N56 O120 P4 -","4","1","","Nadia Marino; Amy E. Rabideau; Robert P. Doyle","Trifluoracetic Acid-Assisted Crystallization of Vitamin B12 Results in Protonation of the Phosphate Group of the Nucleotide Loop: Insight into the Influence of Crystal Packing Forces on Vitamin B12 Structures","Inorganic Chemistry","2011","50","","220","230","10.1021/ic101810v","","","0.71073","MoKα","","0.0444","0.0409","","","0.104","0.1084","","","","","","1.105","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324117","10.4752","0.0014","13.2072","0.0018","6.3903","0.0009","90","","119.646","0.001","90","","768.36","0.18","200","","200","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H16 Au2 N8 Zn -","- C8 H16 Au2 N8 Zn -","- C16 H32 Au4 N16 Zn2 -","2","0.25","","François Baril-Robert; Xiaobo Li; Michael J. Katz; Andrew R. Geisheimer; Daniel B. Leznoff; Howard Patterson","Changes in Electronic Properties of Polymeric One-Dimensional {[M(CN)2]-}n (M = Au, Ag) Chains Due to Neighboring Closed-Shell Zn(II) or Open-Shell Cu(II) Ions","Inorganic Chemistry","2011","50","","231","237","10.1021/ic101841a","","","0.71073","MoKα","","0.019","0.0149","","0.0243","0.0186","0.0184","","","","","","1.1232","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324118","12.408","0.003","5.351","0.0011","10.383","0.002","90","","116","0.03","90","","619.6","0.3","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","barium tetrathallide","","- Ba Tl4 -","- Ba Tl4 -","- Ba4 Tl16 -","4","0.5","","Jing-Cao Dai; Shalabh Gupta; John D. Corbett","Synthesis, Structure, and Bonding of BaTl4. Size Effects on Encapsulation of Cations in Electron-Poor Metal Networks","Inorganic Chemistry","2011","50","","238","244","10.1021/ic1018828","","","0.71073","MoKα","","0.064","0.0495","","","0.1019","0.105","","","","","","1.006","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324119","16.66","0.002","9.5056","0.0012","18.502","0.002","90","","107.018","0.002","90","","2801.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N3 O2 P3 -","- C30 H30 N3 O2 P3 -","- C120 H120 N12 O8 P12 -","4","1","","Dheeraj Kumar; Nem Singh; Karunesh Keshav; Anil J. Elias","Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes","Inorganic Chemistry","2011","50","","250","260","10.1021/ic101884s","","","0.71073","MoKα","","0.0846","0.0802","","","0.1694","0.1721","","","","","","1.282","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324120","9.5643","0.0008","10.4134","0.0009","12.0149","0.0011","64.642","0.001","84.264","0.001","78.195","0.001","1058.38","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N3 O4 P3 -","- C20 H22 N3 O4 P3 -","- C40 H44 N6 O8 P6 -","2","1","","Dheeraj Kumar; Nem Singh; Karunesh Keshav; Anil J. Elias","Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes","Inorganic Chemistry","2011","50","","250","260","10.1021/ic101884s","","","0.71073","MoKα","","0.0524","0.0499","","","0.1126","0.1139","","","","","","1.238","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324121","16.0433","0.0017","8.5473","0.0009","12.6889","0.0014","90","","103.795","0.002","90","","1689.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N3 O6 P3 -","- C12 H18 N3 O6 P3 -","- C48 H72 N12 O24 P12 -","4","1","","Dheeraj Kumar; Nem Singh; Karunesh Keshav; Anil J. Elias","Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes","Inorganic Chemistry","2011","50","","250","260","10.1021/ic101884s","","","0.71073","MoKα","","0.1025","0.0819","","","0.1584","0.169","","","","","","1.266","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324122","9.5245","0.001","9.5245","0.001","24.571","0.006","90","","90","","90","","2229","0.6","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H24 N4 O8 P4 -","- C16 H24 N4 O8 P4 -","- C64 H96 N16 O32 P16 -","4","0.25","","Dheeraj Kumar; Nem Singh; Karunesh Keshav; Anil J. Elias","Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes","Inorganic Chemistry","2011","50","","250","260","10.1021/ic101884s","","","0.71073","MoKα","","0.0434","0.0401","","","0.0966","0.0985","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324123","8.6293","0.0016","8.6591","0.0016","12.639","0.002","90.384","0.003","106.38","0.003","103.641","0.003","877.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 N3 O5 P2 S -","- C14 H17 N3 O5 P2 S -","- C28 H34 N6 O10 P4 S2 -","2","1","","Dheeraj Kumar; Nem Singh; Karunesh Keshav; Anil J. Elias","Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes","Inorganic Chemistry","2011","50","","250","260","10.1021/ic101884s","","","0.71073","MoKα","","0.0977","0.0812","","","0.1723","0.1814","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324124","10.5118","0.0008","9.6363","0.0007","24.7345","0.0019","90","","90.279","0.001","90","","2505.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N3 O4 P3 -","- C24 H30 N3 O4 P3 -","- C96 H120 N12 O16 P12 -","4","1","","Dheeraj Kumar; Nem Singh; Karunesh Keshav; Anil J. Elias","Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes","Inorganic Chemistry","2011","50","","250","260","10.1021/ic101884s","","","0.71073","MoKα","","0.0614","0.0563","","","0.133","0.1359","","","","","","1.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324125","15.88","0.006","8.602","0.003","16.825","0.007","90","","114.43","0.007","90","","2092.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N3 O5 P2 S -","- C18 H25 N3 O5 P2 S -","- C72 H100 N12 O20 P8 S4 -","4","1","","Dheeraj Kumar; Nem Singh; Karunesh Keshav; Anil J. Elias","Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes","Inorganic Chemistry","2011","50","","250","260","10.1021/ic101884s","","","0.71073","MoKα","","0.0878","0.075","","","0.1557","0.1624","","","","","","1.229","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324126","7.571","0.002","19.468","0.005","12.93","0.004","90","","100.719","0.004","90","","1872.5","0.9","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H42 Cl Cu4 N9 -","- C36 H38 Cl Cu4 N9 -","- C72 H76 Cl2 Cu8 N18 -","2","0.5","","Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Hai-Hua Wang; Lin Cui; Peng-Xiang Chen; Qi-Zhen Shi","Trinuclear-based Copper(I) Pyrazolate Polymers: Effect of Trimer π-Acid...Halide/Pseudohalide Interactions on the Supramolecular Structure and Phosphorescence","Inorganic Chemistry","2011","50","","261","270","10.1021/ic101901w","","","0.71073","MoKα","","0.1255","0.0624","","","0.1587","0.1974","","","","","","1.027","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324127","15.06","0.006","19.446","0.007","14.059","0.008","90","","112.943","0.004","90","","3792","3","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H42 Br Cu4 N9 -","- C36 H42 Br Cu4 N9 -","- C144 H168 Br4 Cu16 N36 -","4","0.5","","Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Hai-Hua Wang; Lin Cui; Peng-Xiang Chen; Qi-Zhen Shi","Trinuclear-based Copper(I) Pyrazolate Polymers: Effect of Trimer π-Acid...Halide/Pseudohalide Interactions on the Supramolecular Structure and Phosphorescence","Inorganic Chemistry","2011","50","","261","270","10.1021/ic101901w","","","0.71073","MoKα","","0.1177","0.061","","","0.1533","0.1759","","","","","","1.049","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324128","12.0541","0.0006","12.689","0.0006","13.7213","0.0007","107.004","0.001","103.246","0.001","101.501","0.001","1871.88","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Cu4 I N9 -","- C36 H38 Cu4 I N9 -","- C72 H76 Cu8 I2 N18 -","2","1","","Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Hai-Hua Wang; Lin Cui; Peng-Xiang Chen; Qi-Zhen Shi","Trinuclear-based Copper(I) Pyrazolate Polymers: Effect of Trimer π-Acid...Halide/Pseudohalide Interactions on the Supramolecular Structure and Phosphorescence","Inorganic Chemistry","2011","50","","261","270","10.1021/ic101901w","","","0.71073","MoKα","","0.0527","0.0393","","","0.0936","0.1036","","","","","","1.021","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324129","13.8096","0.0008","19.0144","0.0012","15.8329","0.001","90","","91.09","0.002","90","","4156.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 Cu4 N11 S -","- C39 H45 Cu4 N11 S -","- C156 H180 Cu16 N44 S4 -","4","1","","Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Hai-Hua Wang; Lin Cui; Peng-Xiang Chen; Qi-Zhen Shi","Trinuclear-based Copper(I) Pyrazolate Polymers: Effect of Trimer π-Acid...Halide/Pseudohalide Interactions on the Supramolecular Structure and Phosphorescence","Inorganic Chemistry","2011","50","","261","270","10.1021/ic101901w","","","0.71073","MoKα","","0.126","0.056","","","0.1345","0.176","","","","","","1.014","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324130","13.0979","0.0013","22.008","0.002","14.7518","0.0014","90","","102.178","0.001","90","","4156.6","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cu5 I2 N9 -","- C36 H42 Cu5 I2 N9 -","- C144 H168 Cu20 I8 N36 -","4","1","","Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Hai-Hua Wang; Lin Cui; Peng-Xiang Chen; Qi-Zhen Shi","Trinuclear-based Copper(I) Pyrazolate Polymers: Effect of Trimer π-Acid...Halide/Pseudohalide Interactions on the Supramolecular Structure and Phosphorescence","Inorganic Chemistry","2011","50","","261","270","10.1021/ic101901w","","","0.71073","MoKα","","0.0759","0.0473","","","0.1173","0.1341","","","","","","1.085","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324131","9.037","0.0005","9.0375","0.0005","15.4946","0.0009","103.871","0.001","105.028","0.001","90.138","0.001","1183.73","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- S4 Tl4 Zr -","- S4 Tl4 Zr -","- S20 Tl20 Zr5 -","5","2.5","","Cheriyedath Raj Sankar; Savitree Bangarigadu-Sanasy; Abdeljalil Assoud; Holger Kleinke","Crystal Structures, Electronic Structures, and Physical Properties of Tl4MQ4 (M = Zr or Hf; Q = S or Se)","Inorganic Chemistry","2011","50","","245","249","10.1021/ic101925a","","","0.71073","MoKα","","0.0567","0.0422","","","0.0892","0.0986","","","","","","1.054","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324132","9.2744","0.0019","9.2639","0.0019","16.007","0.003","104.146","0.003","105.326","0.003","90.219","0.003","1282.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- Se4 Tl4 Zr -","- Se4 Tl4 Zr -","- Se20 Tl20 Zr5 -","5","2.5","","Cheriyedath Raj Sankar; Savitree Bangarigadu-Sanasy; Abdeljalil Assoud; Holger Kleinke","Crystal Structures, Electronic Structures, and Physical Properties of Tl4MQ4 (M = Zr or Hf; Q = S or Se)","Inorganic Chemistry","2011","50","","245","249","10.1021/ic101925a","","","0.71073","MoKα","","0.1207","0.0679","","","0.1108","0.1213","","","","","","1.569","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324133","9.0318","0.0011","9.0345","0.0011","15.4477","0.0019","103.768","0.002","104.759","0.002","90.125","0.002","1181.2","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- Hf S4 Tl4 -","- Hf S4 Tl4 -","- Hf5 S20 Tl20 -","5","2.5","","Cheriyedath Raj Sankar; Savitree Bangarigadu-Sanasy; Abdeljalil Assoud; Holger Kleinke","Crystal Structures, Electronic Structures, and Physical Properties of Tl4MQ4 (M = Zr or Hf; Q = S or Se)","Inorganic Chemistry","2011","50","","245","249","10.1021/ic101925a","","","0.71073","MoKα","","0.0812","0.0648","","","0.1387","0.1651","","","","","","1.412","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324134","9.288","0.008","9.271","0.008","16.005","0.014","104.11","0.014","105.052","0.013","90.092","0.013","1287.6","1.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- Hf Se4 Tl4 -","- Hf Se4 Tl4 -","- Hf5 Se20 Tl20 -","5","2.5","","Cheriyedath Raj Sankar; Savitree Bangarigadu-Sanasy; Abdeljalil Assoud; Holger Kleinke","Crystal Structures, Electronic Structures, and Physical Properties of Tl4MQ4 (M = Zr or Hf; Q = S or Se)","Inorganic Chemistry","2011","50","","245","249","10.1021/ic101925a","","","0.71073","MoKα","","0.1946","0.1075","","","0.2355","0.3284","","","","","","1.183","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324135","12.6057","0.0006","20.2225","0.001","16.4417","0.0008","90","","90.328","0.001","90","","4191.2","0.4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C91 H57 Cl2 F20 P5 Pd Pt2 -","- C91 H57 Cl2 F20 P5 Pd Pt2 -","- C182 H114 Cl4 F40 P10 Pd2 Pt4 -","2","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Pilar Romero; Piero Mastrorilli; Vito Gallo","Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref 1.","Inorganic Chemistry","2011","50","","285","298","10.1021/ic101934t","","","0.71073","MoKα","","0.0869","0.0729","","","0.1724","0.1831","","","","","","1.006","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324136","11.8043","0.0019","15.666","0.003","21.543","0.004","95.649","0.003","96.502","0.003","108.579","0.003","3713.5","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C77.7 H50.9 Cl0.4 F20 O P4 Pd Pt2 -","- C77.7 H50.9 Cl0.4 F20 O P4 Pd Pt2 -","- C155.4 H101.8 Cl0.8 F40 O2 P8 Pd2 Pt4 -","2","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Pilar Romero; Piero Mastrorilli; Vito Gallo","Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref 1.","Inorganic Chemistry","2011","50","","285","298","10.1021/ic101934t","","","0.71073","MoKα","","0.0614","0.0467","","","0.1106","0.1181","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324137","17.6125","0.0006","22.187","0.0007","18.1842","0.0006","90","","104.197","0.003","90","","6888.8","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C77 H45 F20 N P4 Pd Pt2 -","- C77 H45 F20 N P4 Pd Pt2 -","- C308 H180 F80 N4 P16 Pd4 Pt8 -","4","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Pilar Romero; Piero Mastrorilli; Vito Gallo","Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref 1.","Inorganic Chemistry","2011","50","","285","298","10.1021/ic101934t","","","0.71073","MoKα","","0.0479","0.0392","","","0.0832","0.0871","","","","","","1.088","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324138","12.8636","0.0008","13.7681","0.0009","21.462","0.003","82.987","0.008","78.649","0.008","81.836","0.005","3671.6","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78.4 H47.8 Cl2.8 F20 N P4 Pd Pt2 -","- C78.4 H47.8 Cl2.8 F20 N P4 Pd Pt2 -","- C156.8 H95.6 Cl5.6 F40 N2 P8 Pd2 Pt4 -","2","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Pilar Romero; Piero Mastrorilli; Vito Gallo","Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref 1.","Inorganic Chemistry","2011","50","","285","298","10.1021/ic101934t","","","0.71073","MoKα","","0.0473","0.0324","","","0.0777","0.0853","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324139","42.303","0.006","17.555","0.003","23.354","0.003","90","","92.671","0.003","90","","17325","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C91 H61 Cl2 F20 N2 P5 Pd Pt2 -","- C91 H61 Cl2 F20 N2 P5 Pd Pt2 -","- C728 H488 Cl16 F160 N16 P40 Pd8 Pt16 -","8","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Pilar Romero; Piero Mastrorilli; Vito Gallo","Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref 1.","Inorganic Chemistry","2011","50","","285","298","10.1021/ic101934t","","","0.71073","MoKα","","0.0675","0.0464","","","0.1233","0.1363","","","","","","1.049","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324140","12.04","0.0004","15.5046","0.0006","24.3942","0.0006","85.339","0.002","84.915","0.002","76.108","0.003","4394.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C90.6 H79.4 F20 N O P4 Pd Pt2 -","- C90.6 H79.4 F20 N O P4 Pd Pt2 -","- C181.2 H158.8 F40 N2 O2 P8 Pd2 Pt4 -","2","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Pilar Romero; Piero Mastrorilli; Vito Gallo","Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated Heterotrinuclear 46 Valence Electron Complexes Polynuclear Homo- or Heterometallic Palladium(II)-Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref 1.","Inorganic Chemistry","2011","50","","285","298","10.1021/ic101934t","","","0.71073","MoKα","","0.0437","0.0307","","","0.079","0.0835","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324141","8.5011","0.0001","22.109","0.0003","13.558","0.0002","90","","92.138","0.001","90","","2546.46","0.06","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F6 N5 P Ru S -","- C20 H22 F6 N5 P Ru S -","- C80 H88 F24 N20 P4 Ru4 S4 -","4","1","","Luciano Cuesta; Irene Maluenda; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia","Novel Thiophene-Based Cycloruthenated Compounds: Synthesis, Characterization, and Reactivity","Inorganic Chemistry","2011","50","","37","45","10.1021/ic101946n","","","0.71073","MoKα","","0.0349","0.032","","","0.0748","0.076","","","","","","1.208","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324142","8.549","0.0012","12.4607","0.0014","13.546","0.002","64.476","0.013","73.774","0.013","83.614","0.01","1250.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H22 F6 N5 O P Ru S -","- C20 H22 F6 N5 O P Ru S -","- C40 H44 F12 N10 O2 P2 Ru2 S2 -","2","1","","Luciano Cuesta; Irene Maluenda; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia","Novel Thiophene-Based Cycloruthenated Compounds: Synthesis, Characterization, and Reactivity","Inorganic Chemistry","2011","50","","37","45","10.1021/ic101946n","","","0.71073","MoKα","","0.2148","0.0629","","","0.0632","0.0856","","","","","","0.652","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324143","7.3363","0.0014","12.02","0.002","8.6697","0.0016","90","","104.213","0.003","90","","741.1","0.2","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Cu2 Fe N6 O12 -","- C8 H8 Cu2 Fe N6 O12 -","- C16 H16 Cu4 Fe2 N12 O24 -","2","0.25","","Wei-Xiong Zhang; Wei Xue; Xiao-Ming Chen","Flexible Mixed-Spin Kagomé Coordination Polymers with Reversible Magnetism Triggered by Dehydration and Rehydration","Inorganic Chemistry","2011","50","","309","316","10.1021/ic101948q","","","0.71073","MoKα","","0.0293","0.0262","","","0.0687","0.0715","","","","","","1.117","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324144","7.3894","0.001","12.0161","0.0016","8.7541","0.0011","90","","104.409","0.002","90","","752.84","0.17","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Cu2 Mn N6 O12 -","- C8 H8 Cu2 Mn N6 O12 -","- C16 H16 Cu4 Mn2 N12 O24 -","2","0.25","","Wei-Xiong Zhang; Wei Xue; Xiao-Ming Chen","Flexible Mixed-Spin Kagomé Coordination Polymers with Reversible Magnetism Triggered by Dehydration and Rehydration","Inorganic Chemistry","2011","50","","309","316","10.1021/ic101948q","","","0.71073","MoKα","","0.0399","0.0383","","","0.0848","0.0863","","","","","","1.316","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324145","7.073","0.002","12.245","0.004","7.458","0.003","90","","118.475","0.006","90","","567.8","0.3","503","2","503","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 Cu2 Fe N6 O8 -","- C8 Cu2 Fe N6 O8 -","- C16 Cu4 Fe2 N12 O16 -","2","0.25","","Wei-Xiong Zhang; Wei Xue; Xiao-Ming Chen","Flexible Mixed-Spin Kagomé Coordination Polymers with Reversible Magnetism Triggered by Dehydration and Rehydration","Inorganic Chemistry","2011","50","","309","316","10.1021/ic101948q","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324146","7.091","0.004","12.198","0.006","7.592","0.004","90","","118.367","0.004","90","","577.8","0.5","503","2","503","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 Cu2 Mn N6 O8 -","- C8 Cu2 Mn N6 O8 -","- C16 Cu4 Mn2 N12 O16 -","2","0.25","","Wei-Xiong Zhang; Wei Xue; Xiao-Ming Chen","Flexible Mixed-Spin Kagomé Coordination Polymers with Reversible Magnetism Triggered by Dehydration and Rehydration","Inorganic Chemistry","2011","50","","309","316","10.1021/ic101948q","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324147","9.2964","0.0017","9.0062","0.0016","6.5079","0.0012","90","","90","","90","","544.88","0.17","153","2","153","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C7 H21 Ga N2 -","- C7 H21 Ga N2 -","- C14 H42 Ga2 N4 -","2","0.5","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","0.71073","MoKα","","0.025","0.0233","","","0.0497","0.0502","","","","","","1.029","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324148","24.0063","0.0009","6.6037","0.0003","11.6694","0.0005","90","","90","","90","","1849.95","0.13","153","2","153","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H34 Ga2 N4 -","- C12 H34 Ga2 N4 -","- C48 H136 Ga8 N16 -","4","1","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","0.71073","MoKα","","0.0545","0.033","","","0.0684","0.0753","","","","","","1.024","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324149","12.113","0.002","13.965","0.003","14.351","0.003","90","","100.98","0.03","90","","2383.1","0.9","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43 Ga2 N3 -","- C18 H43 Ga2 N3 -","- C72 H172 Ga8 N12 -","4","1","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","0.71073","MoKα","","0.0872","0.0588","","","0.0949","0.1023","","","","","","1.155","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324150","8.9143","0.0001","11.9241","0.0002","12.6767","0.0002","69.385","0.001","71.98","0.001","85.393","0.001","1198.71","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H72 Ga4 N4 -","- C36 H72 Ga4 N4 -","- C36 H72 Ga4 N4 -","1","0.5","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","1.54178","CuKα","","0.0404","0.0393","","","0.1075","0.1086","","","","","","1.082","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324151","19.971","0.0019","13.1431","0.0013","19.5065","0.0019","90","","103.139","0.002","90","","4986","0.8","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H80 Ga8 N8 -","- C32 H80 Ga8 N8 -","- C128 H320 Ga32 N32 -","4","0.5","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","0.71073","MoKα","","0.041","0.0276","","","0.0583","0.0619","","","","","","1.04","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324152","23.8919","0.0007","16.2658","0.0005","19.409","0.0006","90","","107.882","0.001","90","","7178.4","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 F Ga4 N7 -","- C33 H49 F Ga4 N7 -","- C264 H392 F8 Ga32 N56 -","8","2","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","1.54178","CuKα","","0.0369","0.033","","","0.0867","0.0886","","","","","","1.115","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324153","11.1768","0.0003","11.1768","0.0003","12.059","0.0006","90","","90","","120","","1304.6","0.08","153","2","153","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C16 H43 Ga4 N7 -","- C16 H42.97 Ga4 N7 -","- C32 H85.94 Ga8 N14 -","2","0.333333","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","0.71073","MoKα","","0.0311","0.03","","","0.0708","0.071","","","","","","1.061","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324154","16.1251","0.0009","18.3539","0.001","27.7447","0.0016","90","","90","","90","","8211.3","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H64 Ga8 N8 O4 -","- C24 H64 Ga8 N8 O4 -","- C192 H512 Ga64 N64 O32 -","8","1","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","0.71073","MoKα","","0.033","0.0238","","","0.0564","0.0603","","","","","","1.022","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324155","20.4021","0.0008","10.5565","0.0004","16.4117","0.0007","90","","95.787","0.002","90","","3516.7","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 F12 N9 P2 Ru -","- C31 H31 F12 N9 P2 Ru -","- C124 H124 F48 N36 P8 Ru4 -","4","1","","Samik Nag; Janaina G. Ferreira; Ludwig Chenneberg; Philippe Dauphin Ducharme; Garry S. Hanan; Giuseppina La Ganga; Scolastica Serroni; Sebastiano Campagna","Changing the Role of 2,2'-Bipyridine from Secondary Ligand to Protagonist in [Ru(bpy)2(N-N)]2+ Complexes: Low-Energy, Red Emission from a Ruthenium(II)-to-2,2'-Bipyridine 3MLCT State","Inorganic Chemistry","2011","50","","7","9","10.1021/ic101986a","","","1.54178","CuKα","","0.0415","0.0362","","","0.0971","0.0999","","","","","","1.038","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324156","8.765","0.01","11.534","0.013","16.827","0.018","94.414","0.012","91.102","0.011","97.487","0.012","1681","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N6 O8 Ru -","- C40 H26 N6 O8 Ru -","- C80 H52 N12 O16 Ru2 -","2","1","","Nicole L. Fry; Brandon J. Heilman; Pradip K. Mascharak","Dye-Tethered Ruthenium Nitrosyls Containing Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane Ligand Twist on NO Photolability","Inorganic Chemistry","2011","50","","317","324","10.1021/ic1019873","","","0.71073","MoKα","","0.0552","0.0392","","","0.0806","0.0865","","","","","","1.025","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324157","11.1266","0.0011","12.1021","0.0012","15.7732","0.0016","74.032","0.001","77.732","0.001","85.483","0.001","1994.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl6 N6 O8.5 Ru -","- C36 H29 Cl6 N6 O8.5 Ru -","- C72 H58 Cl12 N12 O17 Ru2 -","2","1","","Nicole L. Fry; Brandon J. Heilman; Pradip K. Mascharak","Dye-Tethered Ruthenium Nitrosyls Containing Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane Ligand Twist on NO Photolability","Inorganic Chemistry","2011","50","","317","324","10.1021/ic1019873","","","0.71073","MoKα","","0.057","0.0454","","","0.1042","0.1114","","","","","","1.033","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324158","12.2656","0.0011","16.9131","0.0015","20.0497","0.0013","90","","127.317","0.004","90","","3307.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl7 N5 O5 Ru -","- C30 H22 Cl7 N5 O5 Ru -","- C120 H88 Cl28 N20 O20 Ru4 -","4","1","","Nicole L. Fry; Brandon J. Heilman; Pradip K. Mascharak","Dye-Tethered Ruthenium Nitrosyls Containing Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane Ligand Twist on NO Photolability","Inorganic Chemistry","2011","50","","317","324","10.1021/ic1019873","","","0.71073","MoKα","","0.0559","0.0343","","","0.0691","0.0769","","","","","","1.012","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324159","9.699","0.002","9.703","0.002","10.404","0.002","67.072","0.002","80.77","0.003","67.852","0.002","835.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 B F10 P -","- C16 H10 B F10 P -","- C32 H20 B2 F20 P2 -","2","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.0544","0.039","","","0.0942","0.1029","","","","","","1.035","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324160","10.3197","0.0016","12.0982","0.0019","20.926","0.003","74.492","0.002","76.7","0.002","68.458","0.002","2316.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.25 H10.5 B Cl0.5 F10 P -","- C24.25 H10.5 B Cl0.5 F10 P -","- C97 H42 B4 Cl2 F40 P4 -","4","2","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.1486","0.0573","","","0.1054","0.1347","","","","","","0.919","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324161","9.4503","0.0013","10.453","0.0014","13.7545","0.0019","110.687","0.001","99.036","0.002","95.566","0.002","1238.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 B F10 P -","- C24 H22 B F10 P -","- C48 H44 B2 F20 P2 -","2","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.0901","0.0631","","","0.1837","0.2154","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324162","12.194","0.009","18.331","0.013","19.774","0.014","90","","90","","90","","4420","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 B F10 P -","- C20 H18 B F10 P -","- C160 H144 B8 F80 P8 -","8","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.0821","0.0553","","","0.1494","0.1889","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324163","9.198","0.006","12.989","0.008","15.681","0.009","83.854","0.006","87.955","0.007","75.462","0.006","1803","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 B F10 P -","- C16 H12 B F10 P -","- C64 H48 B4 F40 P4 -","4","2","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.0583","0.0493","","","0.136","0.1457","","","","","","1.046","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324164","8.982","0.0006","10.369","0.0006","12.415","0.0006","106.381","0.003","94.69","0.003","96.226","0.003","1095.11","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 B F10 P -","- C24 H12 B F10 P -","- C48 H24 B2 F20 P2 -","2","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.097","0.0543","","","0.128","0.16","","","","","","1.028","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324165","9.542","0.0017","12.872","0.002","19.447","0.003","96.656","0.002","95.583","0.002","109.144","0.002","2217.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 B F10 P -","- C20 H19 B F10 P -","- C80 H76 B4 F40 P4 -","4","2","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.2563","0.0949","","","0.2123","0.2839","","","","","","0.952","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324166","9.8554","0.0005","12.3799","0.0006","16.473","0.0008","72.596","0.002","78.921","0.002","86.032","0.002","1881.95","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 B F10 N P -","- C40 H43 B F10 N P -","- C80 H86 B2 F20 N2 P2 -","2","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.0762","0.0441","","","0.1163","0.1327","","","","","","1.037","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324167","8.8289","0.0003","14.3784","0.0005","9.0538","0.0003","90","","92.991","0.001","90","","1147.77","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 B2 Cl4 P2 -","- C16 H36 B2 Cl4 P2 -","- C32 H72 B4 Cl8 P4 -","2","0.5","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.0305","0.0277","","","0.0749","0.077","","","","","","1.05","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324168","8.378","0.0005","22.2086","0.0015","29.1454","0.0018","90","","90","","90","","5422.9","0.6","453","2","453","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Ce Si3 -","- C24 H39 Ce Si3 -","- C192 H312 Ce8 Si24 -","8","1","","Jamin L. Krinsky; Stefan G. Minasian; John Arnold","Covalent Lanthanide Chemistry Near the Limit of Weak Bonding: Observation of (CpSiMe3)3Ce-ECp* and a Comprehensive Density Functional Theory Analysis of Cp3Ln-ECp (E = Al, Ga)","Inorganic Chemistry","2011","50","","345","357","10.1021/ic102028d","","","0.71073","MoKα","","0.06","0.0327","","","0.0654","0.0737","","","","","","1.119","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324169","10.6177","0.0003","8.123","0.002","13.5089","0.0004","90","","101.155","0.01","90","","1143.1","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Cl3 N3 Si -","- C7 H12 Cl3 N3 Si -","- C28 H48 Cl12 N12 Si4 -","4","1","","Rajendra S. Ghadwal; Kevin Pröpper; Birger Dittrich; Peter G. Jones; Herbert W. Roesky","Neutral Pentacoordinate Silicon Fluorides Derived from Amidinate, Guanidinate, and Triazapentadienate Ligands and Base-Induced Disproportionation of Si2Cl6 to Stable Silylenes","Inorganic Chemistry","2011","50","","358","364","10.1021/ic1020548","","","1.54178","CuKα","","0.0234","0.0243","","","","0.0358","","","","","","3.1393","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324170","10.1387","0.0004","14.3972","0.0006","15.9813","0.0006","71.159","0.004","75.077","0.004","85.845","0.004","2133.17","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 Cl2 N5 Si -","- C18 H29 Cl2 N5 Si -","- C72 H116 Cl8 N20 Si4 -","4","2","","Rajendra S. Ghadwal; Kevin Pröpper; Birger Dittrich; Peter G. Jones; Herbert W. Roesky","Neutral Pentacoordinate Silicon Fluorides Derived from Amidinate, Guanidinate, and Triazapentadienate Ligands and Base-Induced Disproportionation of Si2Cl6 to Stable Silylenes","Inorganic Chemistry","2011","50","","358","364","10.1021/ic1020548","","","0.71073","MoKα","","0.0414","0.0296","","","0.082","0.0839","","","","","","0.995","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324171","8.762","0.0009","8.9751","0.0009","10.9816","0.0012","93.738","0.009","100.701","0.009","107.182","0.009","804.05","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H23 F3 N2 Si -","- C15 H23 F3 N2 Si -","- C30 H46 F6 N4 Si2 -","2","1","","Rajendra S. Ghadwal; Kevin Pröpper; Birger Dittrich; Peter G. Jones; Herbert W. Roesky","Neutral Pentacoordinate Silicon Fluorides Derived from Amidinate, Guanidinate, and Triazapentadienate Ligands and Base-Induced Disproportionation of Si2Cl6 to Stable Silylenes","Inorganic Chemistry","2011","50","","358","364","10.1021/ic1020548","","","0.71073","MoKα","","0.0415","0.0311","","","0.0851","0.0876","","","","","","1.009","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324172","14.4012","0.0003","14.4485","0.0003","9.8332","0.0002","90","","101.97","0.001","90","","2001.56","0.07","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H58 F4 N10 Si2 -","- C36 H58 F4 N10 Si2 -","- C72 H116 F8 N20 Si4 -","2","0.5","","Rajendra S. Ghadwal; Kevin Pröpper; Birger Dittrich; Peter G. Jones; Herbert W. Roesky","Neutral Pentacoordinate Silicon Fluorides Derived from Amidinate, Guanidinate, and Triazapentadienate Ligands and Base-Induced Disproportionation of Si2Cl6 to Stable Silylenes","Inorganic Chemistry","2011","50","","358","364","10.1021/ic1020548","","","1.54178","CuKα","","0.0223","0.0218","","","0.0555","0.0557","","","","","","1.072","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324173","8.4735","0.0008","9.7033","0.0009","9.8403","0.0009","93.399","0.002","110.835","0.002","104.247","0.002","723.22","0.12","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cu2 N4 O17 P4 -","- C20 H20 Cu2 N4 O17 P4 -","- C20 H20 Cu2 N4 O17 P4 -","1","0.5","","Nadia Marino; Oluwatayo. F. Ikotun; Miguel Julve; Francesc Lloret; Juan Cano; Robert P. Doyle","Pyrophosphate-Mediated Magnetic Interactions in Cu(II) Coordination Complexes","Inorganic Chemistry","2011","50","","378","389","10.1021/ic1020884","","","0.71073","MoKα","","0.0358","0.0317","","","0.0841","0.087","","","","","","1.06","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324174","8.7298","0.0009","9.0086","0.0009","10.0823","0.001","110.133","0.002","110.318","0.002","98.579","0.002","664.83","0.12","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cu2 N4 O14 P4 -","- C20 H20 Cu2 N4 O14 P4 -","- C20 H20 Cu2 N4 O14 P4 -","1","0.5","","Nadia Marino; Oluwatayo. F. Ikotun; Miguel Julve; Francesc Lloret; Juan Cano; Robert P. Doyle","Pyrophosphate-Mediated Magnetic Interactions in Cu(II) Coordination Complexes","Inorganic Chemistry","2011","50","","378","389","10.1021/ic1020884","","","0.71073","MoKα","","0.0401","0.0368","","","0.1138","0.1175","","","","","","1.049","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324175","7.6464","0.0007","11.3787","0.0011","17.3996","0.0016","79.735","0.002","83.813","0.002","84.358","0.002","1476.1","0.2","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H50 Cl2 Cu4 N8 O30 P4 -","- C48 H50 Cl2 Cu4 N8 O30 P4 -","- C48 H50 Cl2 Cu4 N8 O30 P4 -","1","0.5","","Nadia Marino; Oluwatayo. F. Ikotun; Miguel Julve; Francesc Lloret; Juan Cano; Robert P. Doyle","Pyrophosphate-Mediated Magnetic Interactions in Cu(II) Coordination Complexes","Inorganic Chemistry","2011","50","","378","389","10.1021/ic1020884","","","0.71073","MoKα","","0.0384","0.034","","","0.0919","0.0995","","","","","","1.088","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324176","12.942","0.005","21.485","0.008","13.046","0.008","90","","91.646","0.006","90","","3626","3","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H86 Cu4 N12 O39 P4 -","- C48 H26 Cu4 N12 O39 P4 -","- C96 H52 Cu8 N24 O78 P8 -","2","0.5","","Nadia Marino; Oluwatayo. F. Ikotun; Miguel Julve; Francesc Lloret; Juan Cano; Robert P. Doyle","Pyrophosphate-Mediated Magnetic Interactions in Cu(II) Coordination Complexes","Inorganic Chemistry","2011","50","","378","389","10.1021/ic1020884","","","0.71073","MoKα","","0.1213","0.0717","","","0.1888","0.2216","","","","","","1.029","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324177","13.7262","0.0009","9.111","0.0006","16.7776","0.0011","90","","96.379","0.001","90","","2085.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cu N10 O9 -","- C10 H26 Cu N10 O9 -","- C40 H104 Cu4 N40 O36 -","4","1","","Sonali Garg; Haixiang Gao; Damon A. Parrish; Jean'ne M. Shreeve","FOX-7 (1,1-Diamino-2,2-dinitroethene): Trapped by Copper and Amines","Inorganic Chemistry","2011","50","","390","395","10.1021/ic102136r","","","0.71073","MoKα","","0.0482","0.0387","","","0.1046","0.1113","","","","","","1.042","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324178","7.0375","0.0008","13.4273","0.0016","6.8708","0.0008","90","","104.685","0.002","90","","628.05","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","potassium (1-amino-2,2-dinitrovinyl)amide","","- C2 H3 K N4 O4 -","- C2 H3 K N4 O4 -","- C8 H12 K4 N16 O16 -","4","1","","Sonali Garg; Haixiang Gao; Damon A. Parrish; Jean'ne M. Shreeve","FOX-7 (1,1-Diamino-2,2-dinitroethene): Trapped by Copper and Amines","Inorganic Chemistry","2011","50","","390","395","10.1021/ic102136r","","","0.71073","MoKα","","0.0339","0.0275","","","0.07","0.0739","","","","","","1.057","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324179","6.8796","0.0007","7.3038","0.0007","13.1982","0.0013","90","","95.986","0.001","90","","659.56","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cu N10 O8 -","- C4 H12 Cu N10 O8 -","- C8 H24 Cu2 N20 O16 -","2","0.5","","Sonali Garg; Haixiang Gao; Damon A. Parrish; Jean'ne M. Shreeve","FOX-7 (1,1-Diamino-2,2-dinitroethene): Trapped by Copper and Amines","Inorganic Chemistry","2011","50","","390","395","10.1021/ic102136r","","","0.71073","MoKα","","0.0328","0.0279","","","0.0825","0.085","","","","","","1.097","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324180","3.7721","0.001","11.346","0.003","28.99","0.007","90","","90","","90","","1240.7","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","7","I 2 2 2","I 2 2","23","","","","- C20 H28 Cl2 N12 O2 Pd S2 -","- C20 H28 Cl2 N12 O2 Pd S2 -","- C40 H56 Cl4 N24 O4 Pd2 S4 -","2","0.25","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.074","0.0734","","","0.1754","0.1758","","","","","","1.149","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324181","6.125","0.0008","9.7568","0.0013","15.6448","0.0018","105.458","0.006","96.393","0.006","97.755","0.007","882.2","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C24 H36 Cl2 N12 O4 Pd S2 -","- C24 H36 Cl2 N12 O4 Pd S2 -","- C24 H36 Cl2 N12 O4 Pd S2 -","1","0.5","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.0533","0.0491","","","0.134","0.1377","","","","","","1.034","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324182","13.6163","0.001","10.9178","0.0009","18.8566","0.0015","90","","93.775","0.003","90","","2797.1","0.4","150","","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl2 N12 Pd -","- C28 H24 Cl2 N12 Pd -","- C112 H96 Cl8 N48 Pd4 -","4","1","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.0623","0.0583","","","0.135","0.1355","","","","","","1.066","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324183","37.2003","0.0009","8.0105","0.0002","11.0946","0.0003","90","","93.53","0.001","90","","3299.84","0.15","100","","100","","","","","","","","Synthesized by the authors. See text","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 Cl2 N12 O3 Pd S3 -","- C22 H34 Cl2 N12 O3 Pd S3 -","- C88 H136 Cl8 N48 O12 Pd4 S12 -","4","0.5","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.0248","0.0235","","","0.0659","0.0669","","","","","","1.085","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324184","7.9908","0.0003","9.15","0.0004","15.445","0.0006","90","","98.586","0.002","90","","1116.62","0.08","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl2 N6 Pd -","- C8 H8 Cl2 N6 Pd -","- C32 H32 Cl8 N24 Pd4 -","4","1","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.029","0.0263","","","0.0709","0.0721","","","","","","1.061","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324185","15.2752","0.0003","18.5707","0.0004","17.5545","0.0004","90","","98.68","0.001","90","","4922.67","0.18","200","2","200","2","","","","","","","Synthesized by the authors. See text","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 B2 F8 N24 O9 Pd -","- C32 H50 B2 F8 N24 O9 Pd -","- C128 H200 B8 F32 N96 O36 Pd4 -","4","1","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.0791","0.0769","","","0.1869","0.1884","","","","","","1.059","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324186","11.4019","0.0017","16.516","0.002","24.136","0.003","95.452","0.007","91.174","0.006","108.713","0.006","4279.1","1","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C67 H86 N26 O14 Pd S5 -","- C67 H86 N26 O14 Pd S5 -","- C134 H172 N52 O28 Pd2 S10 -","2","1","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.0901","0.0709","","","0.1536","0.156","","","","","","1.025","","","","has coordinates,has disorder","179344","2020-10-21","18:00:00",""
"4324187","12.914","0.003","20.449","0.003","11.744","0.004","90","","101.709","0.006","90","","3036.8","1.3","150","","150","","","","","","","","Synthesized by the authors. See text","7","C 1 2/m 1","-C 2y","12","","","","- C36 H53 F6 N24 O7 P Pd -","- C36 H53 F6 N24 O7 P Pd -","- C72 H106 F12 N48 O14 P2 Pd2 -","2","0.25","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.0529","0.0528","","","0.1736","0.1739","","","","","","1.239","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324188","20.6228","0.0006","21.2334","0.0006","15.2728","0.0005","90","","126.999","0.001","90","","5341.2","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","6","C 1 2/m 1","-C 2y","12","","","","- C68 H84 N26 O16 Pd S6 -","- C68 H84 N26 O16 Pd S6 -","- C136 H168 N52 O32 Pd2 S12 -","2","0.25","","Adam Duong; Thierry Maris; James D. Wuest","Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Inorganic Chemistry","2011","50","","5605","5618","10.1021/ic2003047","","","1.54178","CuKα","","0.0623","0.062","","","0.1579","0.1585","","","","","","1.026","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324189","8.1475","0.0006","11.5772","0.0009","13.3096","0.001","90.643","0.001","100.928","0.001","97.566","0.001","1221.09","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H70 B2 N12 Ni2 O8 P2 -","- C38 H70 B2 N12 Ni2 O8 P2 -","- C38 H70 B2 N12 Ni2 O8 P2 -","1","0.5","","Luisa López-Banet; M. Dolores Santana; Gabriel García; Luis García; José Pérez; Teófilo Rojo; Luis Lezama; Jean-Pierre Costes","Crystal Structures and Magnetic Properties of Nickel Complexes with Hydrotris(pyrazolyl)borate Ligand and Double Bridged by Phosphate Esters","Inorganic Chemistry","2011","50","","437","443","10.1021/ic100980x","","","0.71073","MoKα","","0.0934","0.0744","","","0.1702","0.1812","","","","","","1.055","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324190","16.533","","16.533","","20.512","","90","","90","","90","","5606.75","","100","2","100","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C46 H80 B2 N12 Ni2 O8 P2 -","- C46 H80 B2 N12 Ni2 O8 P2 -","- C184 H320 B8 N48 Ni8 O32 P8 -","4","0.25","","Luisa López-Banet; M. Dolores Santana; Gabriel García; Luis García; José Pérez; Teófilo Rojo; Luis Lezama; Jean-Pierre Costes","Crystal Structures and Magnetic Properties of Nickel Complexes with Hydrotris(pyrazolyl)borate Ligand and Double Bridged by Phosphate Esters","Inorganic Chemistry","2011","50","","437","443","10.1021/ic100980x","","","0.71073","MoKα","","0.0598","0.0559","","","0.1519","0.155","","","","","","1.077","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324191","9.6445","0.0008","14.7369","0.0018","21.543","0.002","90","","92.99","0.008","90","","3057.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H60 B2 N16 Ni2 O16 P2 -","- C54 H60 B2 N16 Ni2 O16 P2 -","- C108 H120 B4 N32 Ni4 O32 P4 -","2","0.5","","Luisa López-Banet; M. Dolores Santana; Gabriel García; Luis García; José Pérez; Teófilo Rojo; Luis Lezama; Jean-Pierre Costes","Crystal Structures and Magnetic Properties of Nickel Complexes with Hydrotris(pyrazolyl)borate Ligand and Double Bridged by Phosphate Esters","Inorganic Chemistry","2011","50","","437","443","10.1021/ic100980x","","","0.71073","MoKα","","0.1456","0.0476","","","0.0993","0.1136","","","","","","0.656","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324192","24.1184","0.0007","24.1184","0.0007","7.6482","0.0002","90","","90","","120","","3852.89","0.19","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- K10 P8 Se24 Sn3 -","- K10 P7.98 Se24 Sn3 -","- K30 P23.94 Se72 Sn9 -","3","0.166667","","In Chung; Mercouri G. Kanatzidis","Stabilization of Sn2+ in K10Sn3(P2Se6)4 and Cs2SnP2Se6 Derived from a Basic Flux","Inorganic Chemistry","2011","50","","412","414","10.1021/ic101140r","","","0.71073","MoKα","","0.0409","0.0379","","","0.0827","0.0842","","","","","","1.209","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324193","10.116","0.0004","12.7867","0.0005","11.0828","0.0005","90","","94.463","0.003","90","","1429.22","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 P2 Se6 Sn -","- Cs2 P2 Se6 Sn -","- Cs8 P8 Se24 Sn4 -","4","1","","In Chung; Mercouri G. Kanatzidis","Stabilization of Sn2+ in K10Sn3(P2Se6)4 and Cs2SnP2Se6 Derived from a Basic Flux","Inorganic Chemistry","2011","50","","412","414","10.1021/ic101140r","","","0.71073","MoKα","","0.065","0.0438","","","0.0764","0.0812","","","","","","1.123","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324194","10.395","0.003","11.79","0.003","13.331","0.003","102.902","0.004","110.679","0.004","107.159","0.004","1359","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H36 F12 N6 O12 Zn3 -","- C60 H36 F12 N6 O12 Zn3 -","- C60 H36 F12 N6 O12 Zn3 -","1","0.5","","Zeric Hulvey; Dorina A. Sava; Juergen Eckert; Anthony K. Cheetham","Hydrogen Storage in a Highly Interpenetrated and Partially Fluorinated Metal-Organic Framework","Inorganic Chemistry","2011","50","","403","405","10.1021/ic101153c","","","0.71073","MoKα","","0.129","0.0698","","","0.1473","0.1768","","","","","","1.014","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324195","11.7527","0.0013","12.4829","0.0013","16.6089","0.0018","90","","90.477","0.003","90","","2436.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 F4 N2 O5 Zn -","- C26 H22 F4 N2 O5 Zn -","- C104 H88 F16 N8 O20 Zn4 -","4","1","","Zeric Hulvey; Dorina A. Sava; Juergen Eckert; Anthony K. Cheetham","Hydrogen Storage in a Highly Interpenetrated and Partially Fluorinated Metal-Organic Framework","Inorganic Chemistry","2011","50","","403","405","10.1021/ic101153c","","","0.71073","MoKα","","0.1124","0.0657","","","0.1195","0.1357","","","","","","1.05","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324196","6.9897","0.0005","9.8046","0.0006","11.3083","0.0007","71.833","0.001","84.732","0.001","76.728","0.001","716.5","0.08","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H34 B18 Co O S4 -","- C14 H34 B18 Co O S4 -","- C14 H34 B18 Co O S4 -","1","1","","Olga N. Kazheva; Grigorii G. Alexandrov; Andrey V. Kravchenko; Irina D. Kosenko; Irina A. Lobanova; Igor B. Sivaev; Oleg A. Filippov; Elena S. Shubina; Vladimir I. Bregadze; Vladimir A. Starodub; Lev V. Titov; Lev I. Buravov; Oleg A. Dyachenko","Molecular Conductors with a 8-Hydroxy cobalt Bis(dicarbollide) Anion","Inorganic Chemistry","2011","50","","444","450","10.1021/ic101168b","","","0.71073","MoKα","","0.0371","0.0312","","","0.0747","0.0784","","","","","","1.013","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324197","6.9493","0.0011","9.4839","0.0014","11.9299","0.0018","73.484","0.002","78.815","0.002","78.014","0.002","729.71","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H25 B18 Co O S8 -","- C12 H25 B18 Co O S8 -","- C12 H25 B18 Co O S8 -","1","0.5","","Olga N. Kazheva; Grigorii G. Alexandrov; Andrey V. Kravchenko; Irina D. Kosenko; Irina A. Lobanova; Igor B. Sivaev; Oleg A. Filippov; Elena S. Shubina; Vladimir I. Bregadze; Vladimir A. Starodub; Lev V. Titov; Lev I. Buravov; Oleg A. Dyachenko","Molecular Conductors with a 8-Hydroxy cobalt Bis(dicarbollide) Anion","Inorganic Chemistry","2011","50","","444","450","10.1021/ic101168b","","","0.71073","MoKα","","0.0968","0.0479","","","0.0673","0.0771","","","","","","0.866","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324198","6.7512","0.0005","38.284","0.003","11.6564","0.0008","90","","91.846","0.002","90","","3011.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 B18 Co O S8 -","- C14 H29 B18 Co O S8 -","- C56 H116 B72 Co4 O4 S32 -","4","1","","Olga N. Kazheva; Grigorii G. Alexandrov; Andrey V. Kravchenko; Irina D. Kosenko; Irina A. Lobanova; Igor B. Sivaev; Oleg A. Filippov; Elena S. Shubina; Vladimir I. Bregadze; Vladimir A. Starodub; Lev V. Titov; Lev I. Buravov; Oleg A. Dyachenko","Molecular Conductors with a 8-Hydroxy cobalt Bis(dicarbollide) Anion","Inorganic Chemistry","2011","50","","444","450","10.1021/ic101168b","","","0.71073","MoKα","","0.0611","0.0468","","","0.1077","0.1132","","","","","","1.075","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324199","12.4421","0.0003","15.0196","0.0003","15.1013","0.0003","90","","90","","90","","2822.06","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N2 Ni O8 -","- C27 H39 N2 Ni O8 -","- C108 H156 N8 Ni4 O32 -","4","1","","Prakash Kanoo; R. Sambhu; Tapas Kumar Maji","Guest-Specific Double- or Single-Step Adsorption in a Flexible Porous Framework Based on a Mixed-Ligand System","Inorganic Chemistry","2011","50","","400","402","10.1021/ic101232u","","","0.71073","MoKα","","0.0395","0.0339","","","0.083","0.0878","","","","","","0.729","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324200","8.196","0.001","11.971","0.0013","36.875","0.005","97.64","0.02","95.55","0.02","97.61","0.02","3530.1","0.8","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H52.5 Cl7.5 P2 Pt S4 -","- C66.5 H52.5 Cl7.5 P2 Pt S4 -","- C133 H105 Cl15 P4 Pt2 S8 -","2","1","","Hok-Lai Wong; Chi-Hang Tao; Nianyong Zhu; Vivian Wing-Wah Yam","Photochromic Alkynes as Versatile Building Blocks for Metal Alkynyl Systems: Design, Synthesis, and Photochromic Studies of Diarylethene-Containing Platinum(II) Phosphine Alkynyl Complexes","Inorganic Chemistry","2011","50","","471","481","10.1021/ic101298c","","","0.71073","MoKα","","0.0463","0.0424","","","0.1058","0.1074","","","","","","1.179","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324201","25.1428","0.0008","8.263","0.0003","19.8535","0.0007","90","","95.32","0.001","90","","4106.9","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Cl3 Mo N6 O2 -","- C16 H15 Cl3 Mo N6 O2 -","- C128 H120 Cl24 Mo8 N48 O16 -","8","1","","Ana C. Coelho; Mariela Nolasco; Salete S. Balula; Margarida M. Antunes; Cláudia C. L. Pereira; Filipe A. Almeida Paz; Anabela A. Valente; Martyn Pillinger; Paulo Ribeiro-Claro; Jacek Klinowski; Isabel S. Gonçalves","Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-μ-oxo, and Oxodiperoxo Derivatives","Inorganic Chemistry","2011","50","","525","538","10.1021/ic101384p","","","0.71073","MoKα","","0.042","0.0313","","","0.0725","0.0762","","","","","","1.052","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324202","10.856","0.002","12.715","0.003","16.935","0.003","90","","93.74","0.03","90","","2332.6","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 Mo2 N7 O5 -","- C18 H17 Cl2 Mo2 N7 O5 -","- C72 H68 Cl8 Mo8 N28 O20 -","4","1","","Ana C. Coelho; Mariela Nolasco; Salete S. Balula; Margarida M. Antunes; Cláudia C. L. Pereira; Filipe A. Almeida Paz; Anabela A. Valente; Martyn Pillinger; Paulo Ribeiro-Claro; Jacek Klinowski; Isabel S. Gonçalves","Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-μ-oxo, and Oxodiperoxo Derivatives","Inorganic Chemistry","2011","50","","525","538","10.1021/ic101384p","","","0.71073","MoKα","","0.0684","0.059","","","0.1289","0.1331","","","","","","1.276","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324203","7.5738","0.0007","7.8222","0.0006","10.1283","0.0008","69.032","0.004","83.84","0.004","73.941","0.004","538.42","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl2 Mo2 N6 O5 -","- C16 H14 Cl2 Mo2 N6 O5 -","- C16 H14 Cl2 Mo2 N6 O5 -","1","0.5","","Ana C. Coelho; Mariela Nolasco; Salete S. Balula; Margarida M. Antunes; Cláudia C. L. Pereira; Filipe A. Almeida Paz; Anabela A. Valente; Martyn Pillinger; Paulo Ribeiro-Claro; Jacek Klinowski; Isabel S. Gonçalves","Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-μ-oxo, and Oxodiperoxo Derivatives","Inorganic Chemistry","2011","50","","525","538","10.1021/ic101384p","","","0.71073","MoKα","","0.0274","0.0252","","","0.0551","0.0562","","","","","","1.122","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324204","8.4171","0.0003","14.0198","0.0005","13.1235","0.0004","90","","100.594","0.002","90","","1522.26","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 Mo2 N6 O7 -","- C24 H30 Cl2 Mo2 N6 O7 -","- C48 H60 Cl4 Mo4 N12 O14 -","2","0.5","","Ana C. Coelho; Mariela Nolasco; Salete S. Balula; Margarida M. Antunes; Cláudia C. L. Pereira; Filipe A. Almeida Paz; Anabela A. Valente; Martyn Pillinger; Paulo Ribeiro-Claro; Jacek Klinowski; Isabel S. Gonçalves","Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-μ-oxo, and Oxodiperoxo Derivatives","Inorganic Chemistry","2011","50","","525","538","10.1021/ic101384p","","","0.71073","MoKα","","0.0534","0.0332","","","0.0655","0.072","","","","","","1.036","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324205","8.9171","0.0015","6.6239","0.001","19.872","0.003","90","","97.371","0.007","90","","1164.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl Mo N3 O5 -","- C8 H8 Cl Mo N3 O5 -","- C32 H32 Cl4 Mo4 N12 O20 -","4","1","","Ana C. Coelho; Mariela Nolasco; Salete S. Balula; Margarida M. Antunes; Cláudia C. L. Pereira; Filipe A. Almeida Paz; Anabela A. Valente; Martyn Pillinger; Paulo Ribeiro-Claro; Jacek Klinowski; Isabel S. Gonçalves","Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-μ-oxo, and Oxodiperoxo Derivatives","Inorganic Chemistry","2011","50","","525","538","10.1021/ic101384p","","","0.71073","MoKα","","0.0627","0.0575","","","0.1466","0.1487","","","","","","1.255","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324206","9.3906","0.0019","26.954","0.005","15.527","0.003","90","","96.07","0.03","90","","3908.1","1.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 Mo N3 O4 Si2 -","- C44 H37 Mo N3 O4 Si2 -","- C176 H148 Mo4 N12 O16 Si8 -","4","1","","Ana C. Coelho; Mariela Nolasco; Salete S. Balula; Margarida M. Antunes; Cláudia C. L. Pereira; Filipe A. Almeida Paz; Anabela A. Valente; Martyn Pillinger; Paulo Ribeiro-Claro; Jacek Klinowski; Isabel S. Gonçalves","Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-μ-oxo, and Oxodiperoxo Derivatives","Inorganic Chemistry","2011","50","","525","538","10.1021/ic101384p","","","0.71073","MoKα","","0.097","0.0663","","","0.1331","0.1475","","","","","","1.089","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324207","25.107","0.005","15.411","0.005","7.544","0.005","90","","106.999","0.005","90","","2791","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H14 Cd N2 O10 -","- C24 H14 Cd N2 O10 -","- C96 H56 Cd4 N8 O40 -","4","1","","Manish K. Sharma; Irena Senkovska; Stefan Kaskel; Parimal K. Bharadwaj","Three-Dimensional Porous Cd(II) Coordination Polymer with Large One-Dimensional hexagonal Channels: High Pressure CH4 and H2 Adsorption Studies","Inorganic Chemistry","2011","50","","539","544","10.1021/ic101412p","","","0.71069","MoKα","","0.0855","0.0603","","","0.1436","0.1864","","","","","","1.098","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324208","16.236","0.002","7.4541","0.0009","13.6519","0.0017","90","","93.989","0.003","90","","1648.2","0.4","296","","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Phenanthroline derivative","","","- C23 H14 N4 -","- C23 H14 N4 -","- C92 H56 N16 -","4","1","","Satish S. Bhat; Anupa A. Kumbhar; Hussain Heptullah; Ayesha A. Khan; Vivekanand V. Gobre; Shridhar P. Gejji; Vedavati G. Puranik","Synthesis, Electronic Structure, DNA and Protein Binding, DNA Cleavage, and Anticancer Activity of Fluorophore-Labeled Copper(II) Complexes","Inorganic Chemistry","2011","50","","545","558","10.1021/ic101534n","","","0.71073","MoKα","","0.108","0.0741","","","0.151","0.1632","","","","","","1.242","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324209","7.1127","0.0005","14.5569","0.0011","23.6079","0.0018","90","","90.302","0.002","90","","2444.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu acac complex","","","- C28 H21 Cu N5 O5 -","- C28 H21 Cu N5 O5 -","- C112 H84 Cu4 N20 O20 -","4","1","","Satish S. Bhat; Anupa A. Kumbhar; Hussain Heptullah; Ayesha A. Khan; Vivekanand V. Gobre; Shridhar P. Gejji; Vedavati G. Puranik","Synthesis, Electronic Structure, DNA and Protein Binding, DNA Cleavage, and Anticancer Activity of Fluorophore-Labeled Copper(II) Complexes","Inorganic Chemistry","2011","50","","545","558","10.1021/ic101534n","","","0.71073","MoKα","","0.1125","0.0846","","","0.1534","0.1648","","","","","","1.218","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324210","12.281","0.003","33.391","0.01","13.865","0.004","90","","90.32","0.02","90","","5686","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H72 Cr Fe2 N2 O13 Pb -","- C45 H72 Cr Fe2 N2 O13 Pb -","- C180 H288 Cr4 Fe8 N8 O52 Pb4 -","4","1","","Minghuey Shieh; Yen-Yi Chu; Miao-Hsing Hsu; Wei-Ming Ke; Chien-Nan Lin","Lead-Chromium Carbonyl Complexes Incorporated with Group 8 Metals: Synthesis, Reactivity, and Theoretical Calculations","Inorganic Chemistry","2011","50","","565","575","10.1021/ic101560u","","","0.71073","Mokα","","0.1652","0.0604","","","0.1377","0.1786","","","","","","1.027","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324211","9.5681","0.0002","24.6016","0.0006","11.3668","0.0003","90","","101.805","0.001","90","","2619.05","0.11","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Br2 Cr4 N2 O18 Pb2 -","- C34 H40 Br2 Cr4 N2 O18 Pb2 -","- C68 H80 Br4 Cr8 N4 O36 Pb4 -","2","0.5","","Minghuey Shieh; Yen-Yi Chu; Miao-Hsing Hsu; Wei-Ming Ke; Chien-Nan Lin","Lead-Chromium Carbonyl Complexes Incorporated with Group 8 Metals: Synthesis, Reactivity, and Theoretical Calculations","Inorganic Chemistry","2011","50","","565","575","10.1021/ic101560u","","","0.71073","MoKα","","0.095","0.0709","","","0.172","0.1838","","","","","","1.028","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324212","28.3677","0.0006","10.6192","0.0003","17.6363","0.0004","90","","120.414","0.002","90","","4581.7","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 Fe5 N2 O17 Pb2 -","- C33 H40 Fe5 N2 O17 Pb2 -","- C132 H160 Fe20 N8 O68 Pb8 -","4","0.5","","Minghuey Shieh; Yen-Yi Chu; Miao-Hsing Hsu; Wei-Ming Ke; Chien-Nan Lin","Lead-Chromium Carbonyl Complexes Incorporated with Group 8 Metals: Synthesis, Reactivity, and Theoretical Calculations","Inorganic Chemistry","2011","50","","565","575","10.1021/ic101560u","","","0.71073","MoKα","","0.072","0.0574","","","0.1438","0.1647","","","","","","1.077","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324213","12.9995","0.0002","18.8599","0.0003","20.5628","0.0004","90","","107.506","0.001","90","","4807.88","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Cr2 Fe3 N2 O19 Pb2 -","- C35 H40 Cr2 Fe3 N2 O19 Pb2 -","- C140 H160 Cr8 Fe12 N8 O76 Pb8 -","4","1","","Minghuey Shieh; Yen-Yi Chu; Miao-Hsing Hsu; Wei-Ming Ke; Chien-Nan Lin","Lead-Chromium Carbonyl Complexes Incorporated with Group 8 Metals: Synthesis, Reactivity, and Theoretical Calculations","Inorganic Chemistry","2011","50","","565","575","10.1021/ic101560u","","","0.71073","MoKα","","0.0676","0.0422","","","0.1062","0.1395","","","","","","1.096","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324214","12.1695","0.0001","18.2147","0.0003","23.5738","0.0003","90","","103.097","0.0006","90","","5089.54","0.11","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cr2 N2 O19 Pb2 Ru3 -","- C35 H40 Cr2 N2 O19 Pb2 Ru3 -","- C140 H160 Cr8 N8 O76 Pb8 Ru12 -","4","1","","Minghuey Shieh; Yen-Yi Chu; Miao-Hsing Hsu; Wei-Ming Ke; Chien-Nan Lin","Lead-Chromium Carbonyl Complexes Incorporated with Group 8 Metals: Synthesis, Reactivity, and Theoretical Calculations","Inorganic Chemistry","2011","50","","565","575","10.1021/ic101560u","","","0.71073","MoKα","","0.0893","0.0454","","","0.082","0.0942","","","","","","1.037","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324215","14.639","0.003","20.439","0.004","37.011","0.007","90","","90","","90","","11074","4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Hg N3 O6.5 S2 -","- C23 H38 Hg N3 O6.5 S2 -","- C368 H608 Hg16 N48 O104 S32 -","16","2","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.71073","MoKα","","0.0924","0.0742","","","0.1649","0.1758","","","","","","1.09","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324216","15.826","0.003","13.326","0.003","13.278","0.003","90","","102.42","0.03","90","","2734.8","1.1","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 F12 Hg2 N4 O5 P2 S4 -","- C40 H60 F12 Hg2 N4 O5 P2 S4 -","- C80 H120 F24 Hg4 N8 O10 P4 S8 -","2","0.5","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.71073","MoKα","","0.0579","0.0493","","","0.1101","0.1145","","","","","","1.164","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324217","14.426","0.003","12.697","0.002","15.187","0.003","90","","104.718","0.004","90","","2690.5","0.9","193","2","193","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C21 H31 F6 Hg N2 O2 P S2 -","- C21 H31 F6 Hg N2 O2 P S2 -","- C84 H124 F24 Hg4 N8 O8 P4 S8 -","4","1","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.7107","MoKα","","0.072","0.057","","","0.1","0.1051","","","","","","1.197","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324218","23.676","0.005","9.0739","0.0018","28.876","0.006","90","","90","","90","","6204","2","213","2","213","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C50 H64 F12 Hg2 N4 O5 P2 S4 -","- C50 H64 F12 Hg2 N4 O5 P2 S4 -","- C200 H256 F48 Hg8 N16 O20 P8 S16 -","4","0.5","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.71073","MoKα","","0.0649","0.0575","","","0.1265","0.1296","","","","","","1.226","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324219","9.6245","0.0019","12.634","0.003","14.069","0.003","80.34","0.03","88.57","0.03","89.27","0.03","1685.9","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H40 Hg N2 O7 S2 -","- C33 H40 Hg N2 O7 S2 -","- C66 H80 Hg2 N4 O14 S4 -","2","1","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.71073","MoKα","","0.0496","0.0411","","","0.0773","0.0811","","","","","","1.04","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324220","33.884","0.007","7.6754","0.0015","22.789","0.005","90","","119.33","0.03","90","","5167","2","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H56 F12 Hg2 N4 O6 P2 S4 -","- C38 H56 F12 Hg2 N4 O6 P2 S4 -","- C152 H224 F48 Hg8 N16 O24 P8 S16 -","4","0.5","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.71073","MoKα","","0.0582","0.0429","","","0.064","0.0679","","","","","","1.163","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324221","9.6776","0.0019","15.754","0.003","18.912","0.004","108.51","0.03","98.36","0.03","105","0.03","2558.2","1.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H64 Hg2 N4 O14 S4 -","- C45 H64 Hg2 N4 O14 S4 -","- C90 H128 Hg4 N8 O28 S8 -","2","1","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.71073","MoKα","","0.0599","0.0467","","","0.0895","0.0947","","","","","","1.184","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324222","14.53","0.003","13.088","0.003","14.478","0.003","90","","106.12","0.03","90","","2645","1.1","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 F12 Hg2 N4 O4 P2 S4 -","- C42 H60 F12 Hg2 N4 O4 P2 S4 -","- C84 H120 F24 Hg4 N8 O8 P4 S8 -","2","0.5","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.71073","MoKα","","0.0686","0.0565","","","0.1335","0.1406","","","","","","1.083","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324223","17.336","0.002","10.1793","0.0012","18.672","0.002","90","","90","","90","","3295","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Hg N O4 S -","- C15 H21 Hg N O4 S -","- C120 H168 Hg8 N8 O32 S8 -","8","1","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.7107","MoKα","","0.0425","0.0387","","","0.0664","0.0677","","","","","","1.12","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324224","3.7731","0.0004","3.7731","0.0004","8.1888","0.0011","90","","90","","90","","116.58","0.02","100","2","100","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","neptunium copper oxyphosphide","'copper neptunium oxide phosphide","","- Cu Np O P -","- Cu Np O P -","- Cu2 Np2 O2 P2 -","2","0.125","","Daniel M. Wells; Emilie Ringe; D. Kaczorowski; D. Gnida; G. André; Richard G. Haire; Donald E. Ellis; James A. Ibers","Structure, Properties, and Theoretical Electronic Structure of UCuOP and NpCuOP","Inorganic Chemistry","2011","50","","576","589","10.1021/ic101665g","","","0.71073","MoKα","","0.021","0.0199","","","0.0472","0.0476","","","","","","1.293","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324225","3.7817","0.0004","3.7817","0.0004","8.2252","0.0012","90","","90","","90","","117.63","0.02","153","2","153","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","uranium copper oxyphosphide","","","- Cu O P U -","- Cu O P U -","- Cu2 O2 P2 U2 -","2","0.125","","Daniel M. Wells; Emilie Ringe; D. Kaczorowski; D. Gnida; G. André; Richard G. Haire; Donald E. Ellis; James A. Ibers","Structure, Properties, and Theoretical Electronic Structure of UCuOP and NpCuOP","Inorganic Chemistry","2011","50","","576","589","10.1021/ic101665g","","","0.71073","MoKα","","0.0414","0.0335","","","0.0758","0.0775","","","","","","1.226","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324226","10.009","0.004","15.767","0.005","17.287","0.005","117.09","0.02","96.03","0.02","98.454","0.018","2356.1","1.5","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 As4 Mo4 N2 O25 -","- C24 H20 As4 Mo4 N2 O25 -","- C48 H40 As8 Mo8 N4 O50 -","2","1","","Camelia I. Onet; Lei Zhang; Rodolphe Clérac; J. Bernard Jean-Denis; Martin Feeney; Thomas McCabe; Wolfgang Schmitt","Self-Assembly of Hybrid Organic-Inorganic Polyoxomolybdates: Solid-State Structures and Investigation of Formation and Core Rearrangements in Solution","Inorganic Chemistry","2011","50","","604","613","10.1021/ic101672t","","","0.71075","MoKα","","0.1171","0.0985","","","0.2684","0.2869","","","","","","1.036","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324227","10.207","0.004","13.74","0.005","19.7","0.008","87.426","0.013","82.265","0.01","71.005","0.011","2588.6","1.7","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 As4 Mo4 N7 O25 -","- C27 H36 As4 Mo4 N7 O25 -","- C54 H72 As8 Mo8 N14 O50 -","2","1","","Camelia I. Onet; Lei Zhang; Rodolphe Clérac; J. Bernard Jean-Denis; Martin Feeney; Thomas McCabe; Wolfgang Schmitt","Self-Assembly of Hybrid Organic-Inorganic Polyoxomolybdates: Solid-State Structures and Investigation of Formation and Core Rearrangements in Solution","Inorganic Chemistry","2011","50","","604","613","10.1021/ic101672t","","","0.71075","MoKα","","0.0892","0.0836","","","0.1961","0.2006","","","","","","1.006","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324228","19.417","0.004","21.04","0.004","21.562","0.004","113.09","0.03","112.9","0.03","99.16","0.03","6941","5","108.15","","108.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H46 As10 Mo10 N10 O80 -","- C60 H46 As10 Mo10 N10 O80 -","- C120 H92 As20 Mo20 N20 O160 -","2","1","","Camelia I. Onet; Lei Zhang; Rodolphe Clérac; J. Bernard Jean-Denis; Martin Feeney; Thomas McCabe; Wolfgang Schmitt","Self-Assembly of Hybrid Organic-Inorganic Polyoxomolybdates: Solid-State Structures and Investigation of Formation and Core Rearrangements in Solution","Inorganic Chemistry","2011","50","","604","613","10.1021/ic101672t","","","0.71073","MoKα","","0.0789","0.0704","","","0.1844","0.193","","","","","","1.059","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324229","10.7255","0.0019","10.937","0.003","12","0.003","89.474","0.013","66.129","0.01","63.926","0.007","1131.6","0.5","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 As4 Mo4 N8 O36 -","- C24 H20 As4 Mo4 N8 O36 -","- C24 H20 As4 Mo4 N8 O36 -","1","0.5","","Camelia I. Onet; Lei Zhang; Rodolphe Clérac; J. Bernard Jean-Denis; Martin Feeney; Thomas McCabe; Wolfgang Schmitt","Self-Assembly of Hybrid Organic-Inorganic Polyoxomolybdates: Solid-State Structures and Investigation of Formation and Core Rearrangements in Solution","Inorganic Chemistry","2011","50","","604","613","10.1021/ic101672t","","","0.71075","MoKα","","0.0303","0.0282","","","0.0817","0.0831","","","","","","1.036","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324230","19.765","0.002","15.8113","0.001","23.642","0.002","90","","92.861","0.01","90","","7379.2","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[({Re202(PhthBu2tu)2}O)2]","","","- C108 H172 Cl0 N16 O18 Re4 S10 -","- C108 H172 N16 O18 Re4 S10 -","- C216 H344 N32 O36 Re8 S20 -","2","0.5","","Hung Huy Nguyen; Pham Chien Thang; Axel Rodenstein; Reinhard Kirmse; Ulrich Abram","Bipodal Acylthiourea Ligands as Building Blocks for Bi-, Tetra-, and Polynuclear Oxorhenium(V) Complexes","Inorganic Chemistry","2011","50","","590","596","10.1021/ic1017642","","","0.71073","MoKα","","0.2173","0.1033","","","0.2286","0.2907","","","","","","0.948","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324231","27.3356","0.001","8.2458","0.001","25.0206","0.001","90","","96.568","0.01","90","","5602.7","0.8","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H54 Cl6 N8 O8 Re2 S4 -","- C41 H54 Cl6 N8 O8 Re2 S4 -","- C164 H216 Cl24 N32 O32 Re8 S16 -","4","0.5","","Hung Huy Nguyen; Pham Chien Thang; Axel Rodenstein; Reinhard Kirmse; Ulrich Abram","Bipodal Acylthiourea Ligands as Building Blocks for Bi-, Tetra-, and Polynuclear Oxorhenium(V) Complexes","Inorganic Chemistry","2011","50","","590","596","10.1021/ic1017642","","","0.71073","MoKα","","0.059","0.0474","","","0.1401","0.1582","","","","","","0.929","","","","has coordinates","288540","2023-12-24","01:16:02",""
"4324232","9.2187","0.001","10.3465","0.001","18.489","0.002","76.888","0.01","83.197","0.01","64.152","0.01","1545.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[ReO(Ome){phth(Bu2tu)2}]","","","- C54 H80 N8 O8 Re2 S4 -","- C54 H80 N8 O8 Re2 S4 -","- C54 H80 N8 O8 Re2 S4 -","1","0.5","","Hung Huy Nguyen; Pham Chien Thang; Axel Rodenstein; Reinhard Kirmse; Ulrich Abram","Bipodal Acylthiourea Ligands as Building Blocks for Bi-, Tetra-, and Polynuclear Oxorhenium(V) Complexes","Inorganic Chemistry","2011","50","","590","596","10.1021/ic1017642","","","0.71073","MoKα","","0.0858","0.0578","","","0.1372","0.158","","","","","","1.008","","","","has coordinates","288540","2023-12-24","01:16:03",""
"4324233","16.0172","0.001","18.6209","0.001","16.0551","0.001","90","","117.832","0.01","90","","4234.6","0.6","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[({ReO(Phth(Et2btu)2)}2O)2]","","","- C72 H96 Cl0 N16 O14 P0 Re4 S8 -","- C72 H96 N16 O14 Re4 S8 -","- C144 H192 N32 O28 Re8 S16 -","2","0.5","","Hung Huy Nguyen; Pham Chien Thang; Axel Rodenstein; Reinhard Kirmse; Ulrich Abram","Bipodal Acylthiourea Ligands as Building Blocks for Bi-, Tetra-, and Polynuclear Oxorhenium(V) Complexes","Inorganic Chemistry","2011","50","","590","596","10.1021/ic1017642","","","0.71073","MoKα","","0.1626","0.065","","","0.1183","0.1657","","","","","","0.922","","","","has coordinates","288540","2023-12-24","01:16:03",""
"4324234","16.4966","0.0007","9.0232","0.0004","15.8392","0.0006","90","","92.891","0.002","90","","2354.7","0.17","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(1-Ethyl-4,7-bis(ethylguanidinium)-1,4,7-triazacyclononane)copper(II) perchlorate","","","- C14 H33 Cl2 Cu N9 O8 -","- C14 H33 Cl2 Cu N9 O8 -","- C56 H132 Cl8 Cu4 N36 O32 -","4","1","","Linda Tjioe; Tanmaya Joshi; Joël Brugger; Bim Graham; Leone Spiccia","Synthesis, Structure, and DNA Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Featuring Pairs of Guanidine Pendants","Inorganic Chemistry","2011","50","","621","635","10.1021/ic1018136","","","0.71073","MoKα","","0.087","0.0715","","","0.148","0.1534","","","","","","1.283","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324235","10.6583","0.0006","19.1616","0.0011","13.8312","0.0008","90","","103.576","0.002","90","","2745.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H92 Cl2 Li4 N6 O4 U -","- C40 H92 Cl2 Li4 N6 O4 U -","- C80 H184 Cl4 Li8 N12 O8 U2 -","2","0.5","","Lani A. Seaman; Skye Fortier; Guang Wu; Trevor W. Hayton","Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex","Inorganic Chemistry","2011","50","","636","646","10.1021/ic101847b","","","0.71073","MoKα","","0.0745","0.0447","","","0.1099","0.1227","","","","","","0.938","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324236","10.866","0.005","11.072","0.005","14.719","0.007","78.666","0.007","77.331","0.007","71.05","0.007","1618.9","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H108 Cl2 Li4 N6 O8 U -","- C46 H108 Cl2 Li4 N6 O8 U -","- C46 H108 Cl2 Li4 N6 O8 U -","1","0.5","","Lani A. Seaman; Skye Fortier; Guang Wu; Trevor W. Hayton","Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex","Inorganic Chemistry","2011","50","","636","646","10.1021/ic101847b","","","0.71073","MoKα","","0.0409","0.0408","","","0.1081","0.1082","","","","","","1.025","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324237","16.38","0.003","14.155","0.003","11.978","0.003","90","","132.903","0.004","90","","2034.3","0.8","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H74 Li2 N6 O2 U -","- C32 H54 Li2 N6 O2 U -","- C64 H108 Li4 N12 O4 U2 -","2","0.25","","Lani A. Seaman; Skye Fortier; Guang Wu; Trevor W. Hayton","Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex","Inorganic Chemistry","2011","50","","636","646","10.1021/ic101847b","","","0.71073","MoKα","","0.0338","0.0335","","","0.0769","0.0771","","","","","","0.965","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324238","11.261","0.009","11.261","0.009","22.75","0.02","90","","90","","120","","2498","4","150","2","150","2","","","","","","","","6","P 32","P 32","145","","","","- C29 H60 Li N5 O2 U -","- C29 H60 Li N5 O2 U -","- C87 H180 Li3 N15 O6 U3 -","3","1","","Lani A. Seaman; Skye Fortier; Guang Wu; Trevor W. Hayton","Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex","Inorganic Chemistry","2011","50","","636","646","10.1021/ic101847b","","","0.71073","MoKα","","0.0643","0.0611","","","0.153","0.1558","","","","","","1.05","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324239","15.1725","0.0014","18.7754","0.0017","17.1225","0.0015","90","","92.492","0.001","90","","4873.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H90 Li N6 O6 U -","- C42 H60 Li N6 O6 U -","- C168 H240 Li4 N24 O24 U4 -","4","1","","Lani A. Seaman; Skye Fortier; Guang Wu; Trevor W. Hayton","Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex","Inorganic Chemistry","2011","50","","636","646","10.1021/ic101847b","","","0.71073","MoKα","","0.0678","0.0444","","","0.1254","0.1358","","","","","","1.055","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324240","10.386","0.0013","17.154","0.002","17.858","0.002","90","","100.896","0.002","90","","3124.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Uranium(VI) Piperidide","","- C30 H60 N6 U -","- C30 H60 N6 U -","- C120 H240 N24 U4 -","4","1","","Lani A. Seaman; Skye Fortier; Guang Wu; Trevor W. Hayton","Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex","Inorganic Chemistry","2011","50","","636","646","10.1021/ic101847b","","","0.71073","MoKα","","0.0628","0.0364","","","0.0778","0.0865","","","","","","1.02","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324241","10.339","0.002","10.461","0.002","13.577","0.003","79.8","0.03","70.7","0.03","84.78","0.03","1363.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 Cl4 Cu2 P4 Se6 -","- C52 H44 Cl4 Cu2 P4 Se6 -","- C52 H44 Cl4 Cu2 P4 Se6 -","1","0.5","","Maarit Risto; Jari Konu; Tristram Chivers","Identification of a Novel η2-Se2 Bonding Mode in Cu(I) Complexes of the Dimeric Selenocarbonyl Dianions, [(EPh2P)2CSeSeC(PPh2E)2]2- (E = S, Se)","Inorganic Chemistry","2011","50","","406","408","10.1021/ic101866v","","","0.71073","MoKα","","0.0801","0.0588","","","0.1173","0.129","","","","","","1.091","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324242","10.557","0.002","10.974","0.002","24.894","0.005","89.65","0.03","78.14","0.03","73.13","0.03","2696.6","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 Cl4 Cu2 P4 S4 Se2 -","- C52 H44 Cl4 Cu2 P4 S4 Se2 -","- C104 H88 Cl8 Cu4 P8 S8 Se4 -","2","1","","Maarit Risto; Jari Konu; Tristram Chivers","Identification of a Novel η2-Se2 Bonding Mode in Cu(I) Complexes of the Dimeric Selenocarbonyl Dianions, [(EPh2P)2CSeSeC(PPh2E)2]2- (E = S, Se)","Inorganic Chemistry","2011","50","","406","408","10.1021/ic101866v","","","0.71073","MoKα","","0.1028","0.0726","","","0.1596","0.1788","","","","","","1.064","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324243","20.799","0.007","11.637","0.004","22.864","0.006","90","","122.99","0.02","90","","4642","3","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","polyaluminum sulphate","polyaluminum sulphate","","- Al13 H55 O56 S3 -","- Al13 H55 O56 S3 -","- Al52 H220 O224 S12 -","4","1","","Zhong Sun; Hui Wang; Hong-Ge-Er Tong; Shao-Fan Sun","A Giant Polyaluminum Species S-Al32 and Two Aluminum Polyoxocations Involving Coordination by Sulfate Ions S-Al32 and S-K-Al13","Inorganic Chemistry","2011","50","","559","564","10.1021/ic101875r","","","0.71073","MoKα","","0.221","0.0904","","","0.1378","0.1649","","","","","","1.059","","","","has coordinates,has disorder","200438","2020-10-21","18:00:00",""
"4324244","14.949","0.003","16.384","0.003","17.055","0.003","66.79","0.03","70.35","0.03","70.32","0.03","3513.4","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","polyaluminum chloride sulphate","polyaluminum chloride sulphate","","- Al32 Cl2 H176 O162 S9 -","- Al32 Cl2 H176 O162 S9 -","- Al32 Cl2 H176 O162 S9 -","1","0.5","","Zhong Sun; Hui Wang; Hong-Ge-Er Tong; Shao-Fan Sun","A Giant Polyaluminum Species S-Al32 and Two Aluminum Polyoxocations Involving Coordination by Sulfate Ions S-Al32 and S-K-Al13","Inorganic Chemistry","2011","50","","559","564","10.1021/ic101875r","","","0.71073","MoKα","","0.2015","0.1158","","","0.0985","0.1231","","","","","","0.91","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324245","13.9123","0.0015","23.529","0.003","22.395","0.002","90","","90.407","0.002","90","","7330.7","1.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al13 Cl15 H98 O61 -","- Al13 Cl15 O61 -","- Al52 Cl60 O244 -","4","1","","Zhong Sun; Hui Wang; Hong-Ge-Er Tong; Shao-Fan Sun","A Giant Polyaluminum Species S-Al32 and Two Aluminum Polyoxocations Involving Coordination by Sulfate Ions S-Al32 and S-K-Al13","Inorganic Chemistry","2011","50","","559","564","10.1021/ic101875r","","","0.71073","MoKα","","0.0786","0.0506","","","0.1453","0.1654","","","","","","1.05","","","","has coordinates,has disorder","288120","2023-12-07","11:13:56",""
"4324246","10.716","0.002","16.219","0.003","18.237","0.006","90","","117.15","0.02","90","","2820.4","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 Co In N6 S7 Sb3 -","- C9 H30 Co In N6 S7 Sb3 -","- C36 H120 Co4 In4 N24 S28 Sb12 -","4","1","","Jian Zhou; Litao An; Feng Zhang","[M(dap)3]InSb3S7 (M = Co, Ni): Two Novel Open-Framework Thioindate-Thioantimonates with 8-, 12-, and 16-Ring Intersecting Channels","Inorganic Chemistry","2011","50","","415","417","10.1021/ic101912s","","","0.71073","MoKα","","0.1404","0.0892","","","0.2037","0.2176","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324247","10.668","0.002","16.207","0.003","18.247","0.006","90","","117.05","0.02","90","","2809.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 In N6 Ni S7 Sb3 -","- C9 H30 In N6 Ni S7 Sb3 -","- C36 H120 In4 N24 Ni4 S28 Sb12 -","4","1","","Jian Zhou; Litao An; Feng Zhang","[M(dap)3]InSb3S7 (M = Co, Ni): Two Novel Open-Framework Thioindate-Thioantimonates with 8-, 12-, and 16-Ring Intersecting Channels","Inorganic Chemistry","2011","50","","415","417","10.1021/ic101912s","","","0.71073","MoKα","","0.1363","0.0897","","","0.2042","0.2146","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324248","7.1402","0.0019","9.376","0.003","13.793","0.004","103.759","0.004","90.757","0.004","96.874","0.004","889.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-dimethyl-1H-imidazol-3-ium dinitromethanide, 8","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C24 H40 N16 O16 -","4","2","","Ling He; Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve","Liquid Dinitromethanide Salts","Inorganic Chemistry","2011","50","","679","685","10.1021/ic101959r","","","0.71073","MoKα","","0.0431","0.0347","","","0.0894","0.0944","","","","","","1.064","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324249","15.8873","0.0002","28.9709","0.0003","19.5813","0.0003","90","","90","","90","","9012.7","0.2","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H274 Ag7 B88 N11 Sn8 -","- C76 H274 Ag7 B88 N11 Sn8 -","- C152 H548 Ag14 B176 N22 Sn16 -","2","0.5","","Hartmut Schubert; Jörg-Alexander Dimmer; Fritz-Robert Küchle; Klaus Eichele; Lars Wesemann","Homoleptic Coinage Metal Compounds of Group(IV) heteroborates","Inorganic Chemistry","2011","50","","664","670","10.1021/ic102118n","","","0.71073","MoKα","","0.0516","0.0452","","","0.1157","0.1191","","","","","","1.08","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324250","15.3897","0.0011","15.6967","0.0011","15.7315","0.0013","66.385","0.006","81.051","0.006","75.412","0.006","3363.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H204 Ag6 B66 Ge6 N12 -","- C60 H204 Ag6 B66 Ge6 N12 -","- C60 H204 Ag6 B66 Ge6 N12 -","1","0.5","","Hartmut Schubert; Jörg-Alexander Dimmer; Fritz-Robert Küchle; Klaus Eichele; Lars Wesemann","Homoleptic Coinage Metal Compounds of Group(IV) heteroborates","Inorganic Chemistry","2011","50","","664","670","10.1021/ic102118n","","","0.71073","MoKα","","0.0818","0.0713","","","0.1707","0.179","","","","","","1.037","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324251","11.1078","0.0007","26.7184","0.0012","17.1513","0.0009","90","","100.348","0.005","90","","5007.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H170 Au2 B44 N8 Sn4 -","- C52 H170 Au2 B44 N8 Sn4 -","- C104 H340 Au4 B88 N16 Sn8 -","2","0.5","","Hartmut Schubert; Jörg-Alexander Dimmer; Fritz-Robert Küchle; Klaus Eichele; Lars Wesemann","Homoleptic Coinage Metal Compounds of Group(IV) heteroborates","Inorganic Chemistry","2011","50","","664","670","10.1021/ic102118n","","","0.71073","MoKα","","0.0644","0.0462","","","0.0602","0.0638","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324252","17.1431","0.0013","17.3073","0.0013","18.9524","0.0016","74.485","0.006","66.041","0.006","60.101","0.005","4439.7","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C95 H308 Ag2 B66 N15 O5 Sn6 -","- C95 H308 Ag2 B66 N15 O5 Sn6 -","- C95 H308 Ag2 B66 N15 O5 Sn6 -","1","0.5","","Hartmut Schubert; Jörg-Alexander Dimmer; Fritz-Robert Küchle; Klaus Eichele; Lars Wesemann","Homoleptic Coinage Metal Compounds of Group(IV) heteroborates","Inorganic Chemistry","2011","50","","664","670","10.1021/ic102118n","","","0.71073","MoKα","","0.046","0.0352","","","0.0792","0.0832","","","","","","1.057","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324253","19.8584","0.0008","29.4243","0.0013","14.1231","0.0008","90","","90","","90","","8252.4","0.7","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H142 B33 Cu N8 Sn3 -","- C46 H142 B33 Cu N8 Sn3 -","- C184 H568 B132 Cu4 N32 Sn12 -","4","0.5","","Hartmut Schubert; Jörg-Alexander Dimmer; Fritz-Robert Küchle; Klaus Eichele; Lars Wesemann","Homoleptic Coinage Metal Compounds of Group(IV) heteroborates","Inorganic Chemistry","2011","50","","664","670","10.1021/ic102118n","","","0.71073","MoKα","","0.0839","0.0641","","","0.1529","0.164","","","","","","1.053","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324254","16.972","0.004","14.247","0.004","15.643","0.003","90","","90","","90","","3782.5","1.6","123.15","","123.15","","","","","","","","","5","P n a 21","P 2c -2n","33","CuTMeOPP","CuTMeOPP","","- C48 H36 Cu N4 O4 -","- C48 H36 Cu N4 O4 -","- C192 H144 Cu4 N16 O16 -","4","1","","Wentong Chen; Mohamed E. El-Khouly; Shunichi Fukuzumi","Saddle Distortion of a Sterically Unhindered Porphyrin Ring in a Copper Porphyrin with Electron-Donating Substituents","Inorganic Chemistry","2011","50","","671","678","10.1021/ic102208y","","","0.71073","MoKα","","0.0956","0.0673","","","0.1455","0.162","","","","","","1.007","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324255","9.86","0.005","13.9285","0.0015","17.35","0.007","90","","116.33","0.002","90","","2135.6","1.4","123.15","","123.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","TMeOPP","TMeOPP","","- C48 H38 N4 O4 -","- C48 H38 N4 O4 -","- C96 H76 N8 O8 -","2","0.5","","Wentong Chen; Mohamed E. El-Khouly; Shunichi Fukuzumi","Saddle Distortion of a Sterically Unhindered Porphyrin Ring in a Copper Porphyrin with Electron-Donating Substituents","Inorganic Chemistry","2011","50","","671","678","10.1021/ic102208y","","","0.71073","MoKα","","0.1132","0.0726","","","0.1782","0.1976","","","","","","1.006","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324256","11.348","0.0004","11.348","0.0004","62.182","0.003","90","","90","","120","","6934.8","0.5","295","2","295","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H46 N10 Ni O16.83 -","- C46 H46 N10 Ni O16.832 -","- C276 H276 N60 Ni6 O100.992 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0424","0.0406","","","0.1022","0.1032","","","","","","1.221","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324257","11.4707","0.0003","11.4707","0.0003","61.655","0.003","90","","90","","120","","7025.5","0.4","295","2","295","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.68 Fe N10 O14.84 -","- C46 H46 Fe N10 O14.84 -","- C276 H276 Fe6 N60 O89.04 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0562","0.0543","","","0.1252","0.1262","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324258","11.3686","0.0001","11.3686","0.0001","61.4475","0.0011","90","","90","","120","","6877.79","0.15","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.52 Co N10 O14.76 -","- C46 H46 Co N10 O14.766 -","- C276 H276 Co6 N60 O88.596 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0474","0.0459","","","0.1092","0.1101","","","","","","1.159","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324259","11.2927","0.0001","11.2927","0.0001","61.771","0.001","90","","90","","120","","6821.99","0.14","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.63 N10 Ni O14.82 -","- C46 H46 N10 Ni O14.816 -","- C276 H276 N60 Ni6 O88.896 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0502","0.046","","","0.1058","0.1081","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324260","11.2004","0.0003","11.2004","0.0003","62.448","0.003","90","","90","","120","","6784.5","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H46.5 Cu N10 O14.25 -","- C46 H46 Cu N10 O14.25 -","- C276 H276 Cu6 N60 O85.5 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0496","0.0411","","","0.0885","0.0914","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324261","11.1347","0.0003","11.1347","0.0003","60.938","0.003","90","","90","","120","","6543","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H38 Cu N10 O10 -","- C46 H38 Cu N10 O10 -","- C276 H228 Cu6 N60 O60 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0596","0.0558","","","0.1265","0.1279","","","","","","1.256","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324262","11.365","0.0001","11.365","0.0001","61.51","0.001","90","","90","","120","","6880.42","0.14","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.48 N10 O14.74 Zn -","- C46 H46 N10 O14.738 Zn -","- C276 H276 N60 O88.428 Zn6 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0467","0.0443","","","0.1062","0.1076","","","","","","1.136","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324263","11.3835","0.0002","11.3835","0.0002","61.2732","0.0015","90","","90","","120","","6876.3","0.2","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.36 Co N10 O16.68 -","- C46 H46 Co N10 O16.681 -","- C276 H276 Co6 N60 O100.086 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0423","0.0378","","","0.0865","0.0886","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324264","11.4398","0.0004","11.4398","0.0004","58.718","0.005","90","","90","","120","","6654.9","0.7","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H38.64 Co N10 O12.32 -","- C46 H36 Co N10 O12.322 -","- C276 H216 Co6 N60 O73.932 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0645","0.064","","","0.1462","0.1464","","","","","","1.284","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324265","11.3315","0.0002","11.3315","0.0002","59.8555","0.0016","90","","90","","120","","6655.9","0.2","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C44 H45.18 N10 Ni O15.52 -","- C44 H34 N10 Ni O15.524 -","- C264 H204 N60 Ni6 O93.144 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0713","0.0534","","","0.1192","0.1296","","","","","","1.058","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324266","11.2179","0.0001","11.2179","0.0001","62.4758","0.0012","90","","90","","120","","6808.72","0.16","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H46.71 Cu N10 O16.35 -","- C46 H42 Cu N10 O16.353 -","- C276 H252 Cu6 N60 O98.118 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0431","0.0405","","","0.0964","0.0978","","","","","","1.165","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324267","11.3689","0.0002","11.3689","0.0002","61.3502","0.0016","90","","90","","120","","6867.3","0.2","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C46 H47.36 N10 O16.68 Zn -","- C46 H46 N10 O16.682 Zn -","- C276 H276 N60 O100.092 Zn6 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0389","0.0373","","","0.0895","0.0902","","","","","","1.224","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324268","10.408","0.002","20.925","0.004","47.922","0.01","90","","96.21","0.03","90","","10376","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H104 Co2 N4 O12 -","- C81 H104 Co2 N4 O12 -","- C324 H416 Co8 N16 O48 -","4","0.5","","Bao Li; Li-Qin Chen; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Thermally Induced and Photoinduced Valence Tautomerism in a Two-Dimensional Coordination Polymer","Inorganic Chemistry","2011","50","","424","426","10.1021/ic102270h","","","0.71073","MoKα","","0.1741","0.0787","","","0.1912","0.2351","","","","","","0.934","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324269","19.1503","0.0004","19.7093","0.0004","26.1294","0.0006","90","","111.494","0.001","90","","9176.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H200 Dy Mn21 N3 O86 -","- C104 H184 Dy Mn21 N3 O87 -","- C208 H368 Dy2 Mn42 N6 O174 -","2","1","","Constantina Papatriantafyllopoulou; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Mn21Dy Cluster with a Record Magnetization Reversal Barrier for a Mixed 3d/4f Single-Molecule Magnet","Inorganic Chemistry","2011","50","","421","423","10.1021/ic102378u","","","0.71073","MoKα","","0.1151","0.0518","","","0.0816","0.0924","","","","","","0.791","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324270","9.2362","0.0017","13.6956","0.0015","14.136","0.002","69.463","0.01","83.415","0.014","77.185","0.009","1631.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.7 H36.4 Cl3.4 Ir N4 O2 -","- C30.7 H36.4 Cl3.4 Ir N4 O2 -","- C61.4 H72.8 Cl6.8 Ir2 N8 O4 -","2","1","","Etienne Baranoff; Simona Fantacci; Filippo De Angelis; Xianxi Zhang; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin","Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand","Inorganic Chemistry","2011","50","","451","462","10.1021/ic901834v","","","0.71073","MoKα","","0.0565","0.0473","","","0.1242","0.1291","","","","","","1.209","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324271","10.0882","0.0016","11.9006","0.0006","19.0655","0.0017","76.99","0.008","84.823","0.009","67.972","0.009","2067.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H43 Cl4 Ir N6 O2 -","- C44 H43 Cl4 Ir N6 O2 -","- C88 H86 Cl8 Ir2 N12 O4 -","2","1","","Etienne Baranoff; Simona Fantacci; Filippo De Angelis; Xianxi Zhang; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin","Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand","Inorganic Chemistry","2011","50","","451","462","10.1021/ic901834v","","","0.71073","MoKα","","0.0308","0.0246","","","0.0579","0.0618","","","","","","1.135","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324272","16.517","0.003","10.65","0.002","19.517","0.004","90","","103.68","0.03","90","","3335.8","1.2","140","2","140","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C39 H37 Ir N4 O2 -","- C39 H37 Ir N4 O2 -","- C156 H148 Ir4 N16 O8 -","4","0.5","","Etienne Baranoff; Simona Fantacci; Filippo De Angelis; Xianxi Zhang; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin","Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand","Inorganic Chemistry","2011","50","","451","462","10.1021/ic901834v","","","0.71073","MoKα","","0.0633","0.0602","","","0.1406","0.1427","","","","","","1.109","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324273","11.6876","0.0003","26.0363","0.0007","11.0796","0.0003","90","","91.984","0.001","90","","3369.52","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H84 N24 O4 S4 Zn4 -","- C46 H84 N24 O4 S4 Zn4 -","- C92 H168 N48 O8 S8 Zn8 -","2","0.5","","A. Tamilselvi; Govindasamy Mugesh","Metallo-β-lactamase-Catalyzed Hydrolysis of Cephalosporins: Some Mechanistic Insights into the Effect of Heterocyclic Thiones on Enzyme Activity","Inorganic Chemistry","2011","50","","749","756","10.1021/ic100253k","","","0.71073","MoKα","","0.0578","0.0345","","","0.0884","0.1024","","","","","","1.048","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324274","14.998","0.004","11.724","0.003","15.328","0.004","90","","95.06","0.006","90","","2684.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 N12 O4 S8 Zn4 -","- C38 H56 N12 O4 S8 Zn4 -","- C76 H112 N24 O8 S16 Zn8 -","2","0.5","","A. Tamilselvi; Govindasamy Mugesh","Metallo-β-lactamase-Catalyzed Hydrolysis of Cephalosporins: Some Mechanistic Insights into the Effect of Heterocyclic Thiones on Enzyme Activity","Inorganic Chemistry","2011","50","","749","756","10.1021/ic100253k","","","0.71073","MoKα","","0.0683","0.0401","","","0.0871","0.0984","","","","","","0.979","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324275","8.6754","0.0002","9.4666","0.0002","11.758","0.0003","87.326","0.001","73.395","0.001","74.041","0.001","889.18","0.04","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N2 P Se -","- C19 H21 N2 P Se -","- C38 H42 N4 P2 Se2 -","2","1","","Susanne Sauerbrey; Paresh Kumar Majhi; Jörg Daniels; Gregor Schnakenburg; Gerhard Markus Brändle; Katharina Scherer; Rainer Streubel","Synthesis, Structure, and Reactions of 1-tert-Butyl-2-diphenylphosphino-imidazole","Inorganic Chemistry","2011","50","","793","799","10.1021/ic101122n","","","0.71073","","","0.0413","0.0292","","","0.0628","0.0656","","","","","","1.022","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324276","8.8311","0.0003","8.9032","0.0003","11.3574","0.0004","83.341","0.002","81.834","0.002","75.385","0.002","852.32","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N2 O P -","- C19 H21 N2 O P -","- C38 H42 N4 O2 P2 -","2","1","","Susanne Sauerbrey; Paresh Kumar Majhi; Jörg Daniels; Gregor Schnakenburg; Gerhard Markus Brändle; Katharina Scherer; Rainer Streubel","Synthesis, Structure, and Reactions of 1-tert-Butyl-2-diphenylphosphino-imidazole","Inorganic Chemistry","2011","50","","793","799","10.1021/ic101122n","","","0.71073","","","0.0681","0.0422","","","0.1001","0.1088","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324277","8.6397","0.0003","9.3631","0.0003","11.7671","0.0003","87.327","0.002","73.242","0.002","73.673","0.002","874.1","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N2 P S -","- C19 H21 N2 P S -","- C38 H42 N4 P2 S2 -","2","1","","Susanne Sauerbrey; Paresh Kumar Majhi; Jörg Daniels; Gregor Schnakenburg; Gerhard Markus Brändle; Katharina Scherer; Rainer Streubel","Synthesis, Structure, and Reactions of 1-tert-Butyl-2-diphenylphosphino-imidazole","Inorganic Chemistry","2011","50","","793","799","10.1021/ic101122n","","","0.71073","","","0.0421","0.0325","","","0.0806","0.0848","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324278","4.4933","0.0008","12.4922","0.0015","6.8613","0.001","90","","106.335","0.007","90","","369.59","0.1","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H O5 Pr S -","- H O5 Pr S -","- H4 O20 Pr4 S4 -","4","1","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.031","0.027","","","0.067","0.069","","","","","","1.087","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324279","4.4733","0.001","12.432","0.002","6.8346","0.0012","90","","106.396","0.009","90","","364.63","0.12","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H Nd O5 S -","- H Nd O5 S -","- H4 Nd4 O20 S4 -","4","1","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.041","0.037","","","0.095","0.102","","","","","","1.043","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324280","4.435","0.0012","12.301","0.003","6.778","0.0019","90","","106.456","0.003","90","","354.63","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H O5 S Sm -","- H O5 S Sm -","- H4 O20 S4 Sm4 -","4","1","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.0228","0.0196","","","0.0449","0.0458","","","","","","1.102","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324281","4.4238","0.001","12.279","0.003","6.7609","0.0015","90","","106.477","0.011","90","","352.17","0.14","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Eu H O5 S -","- Eu H O5 S -","- Eu4 H4 O20 S4 -","4","1","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.041","0.038","","","0.107","0.109","","","","","","1.133","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324282","4.3993","0.001","12.219","0.003","6.7302","0.0014","90","","106.456","0.002","90","","346.96","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Gd H O5 S -","- Gd H O5 S -","- Gd4 H4 O20 S4 -","4","1","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.0216","0.0182","","","0.0399","0.0407","","","","","","1.095","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324283","8.008","0.002","10.894","0.003","8.186","0.003","90","","93.634","0.004","90","","712.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H O5 S Tb -","- H O5 S Tb -","- H8 O40 S8 Tb8 -","8","2","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.0393","0.0286","","","0.0643","0.0698","","","","","","1.133","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4324284","7.9819","0.0015","10.924","0.002","8.1508","0.001","90","","93.617","0.007","90","","709.3","0.2","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Dy H O5 S -","- Dy H O5 S -","- Dy8 H8 O40 S8 -","8","2","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.035","0.03","","","0.069","0.071","","","","","","1.138","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4324285","7.9465","0.0012","10.8807","0.0016","8.0925","0.0012","90","","93.7141","0.0019","90","","698.24","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H Ho O5 S -","- H Ho O5 S -","- H8 Ho8 O40 S8 -","8","2","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.0287","0.0248","","","0.058","0.0601","","","","","","1.139","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4324286","7.9548","0.0012","10.8906","0.0015","8.088","0.0012","90","","93.874","0.009","90","","699.08","0.18","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Er H O5 S -","- Er H O5 S -","- Er8 H8 O40 S8 -","8","2","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.068","0.043","","","0.088","0.096","","","","","","0.987","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4324287","7.9064","0.0018","10.81","0.002","8.0439","0.0018","90","","93.838","0.003","90","","686","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H O5 S Tm -","- H O5 S Tm -","- H8 O40 S8 Tm8 -","8","2","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.0323","0.0231","","","0.0498","0.0548","","","","","","1.066","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4324288","7.871","0.003","10.836","0.004","8.017","0.003","90","","93.986","0.005","90","","682.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H O5 S Yb -","- H O5 S Yb -","- H8 O40 S8 Yb8 -","8","2","","Ralph A. Zehnder; Christopher S. Wilson; Hunter T. Christy; Kenneth S. Harris; Varun Chauhan; Victor Schutz; Matthew Sullivan; Matthias Zeller; Frank R. Fronczek; Jacob A. Myers; Kyle Dammann; James Duck; Peter M. Smith; Antony Okuma; Kristin Johnson; Robert Sovesky; Cameron Stroudt; Robert A. Renn","Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr-Yb, except Pm)","Inorganic Chemistry","2011","50","","836","846","10.1021/ic101350f","","","0.71073","MoKα","","0.0376","0.0262","","","0.0556","0.0582","","","","","","1.031","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4324289","12.6807","0.0015","13.1347","0.0015","17.164","0.002","105.075","0.0009","97.1106","0.0009","97.4014","0.001","2700.2","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H57 B N Ni P3 S -","- C63 H57 B N Ni P3 S -","- C126 H114 B2 N2 Ni2 P6 S2 -","2","1","","Athinoula L. Petrou; Andreas D. Koutselos; Hilal S. Wahab; William Clegg; Ross W. Harrington; Richard A. Henderson","Kinetic and Theoretical Studies on the Protonation of [Ni(2-SC6H4N){PhP(CH2CH2PPh2)2}]+: Nitrogen versus Sulfur as the Protonation Site","Inorganic Chemistry","2011","50","","847","857","10.1021/ic101444d","","","0.6727","synchrotron","","0.0877","0.0451","","","0.0932","0.1069","","","","","","1.012","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324290","11.6661","0.0006","14.3526","0.0007","20.1381","0.001","73.159","0.002","73.332","0.002","67.844","0.002","2928.4","0.3","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H69 B N Ni O2.5 P3 S -","- C67.5 H57 B N Ni O2 P3 S -","- C135 H114 B2 N2 Ni2 O4 P6 S2 -","2","1","","Athinoula L. Petrou; Andreas D. Koutselos; Hilal S. Wahab; William Clegg; Ross W. Harrington; Richard A. Henderson","Kinetic and Theoretical Studies on the Protonation of [Ni(2-SC6H4N){PhP(CH2CH2PPh2)2}]+: Nitrogen versus Sulfur as the Protonation Site","Inorganic Chemistry","2011","50","","847","857","10.1021/ic101444d","","","0.71073","MoKα","","0.0699","0.046","","","0.1198","0.1334","","","","","","1.036","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324291","8.5922","0.0006","12.2951","0.0006","25.671","0.002","90","","94.567","0.009","90","","2703.3","0.3","153","2","153","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","Molybdenum(VI)-dioxide-sulfate","","","- Mo O6 S -","- Mo O6 S -","- Mo24 O144 S24 -","24","3","","Ulf Betke; Mathias S. Wickleder","Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2","Inorganic Chemistry","2011","50","","858","872","10.1021/ic101455z","","x-ray","0.71073","MoKα","","0.0222","0.0166","","","0.0399","0.0409","","","","","","0.973","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324292","9.9589","0.0007","11.7983","0.0007","8.6065","0.0005","90","","90","","90","","1011.25","0.11","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","Diniobium(V)-dioxide-tris(sulfate)","","","- Nb2 O14 S3 -","- Nb2 O14 S3 -","- Nb8 O56 S12 -","4","1","","Ulf Betke; Mathias S. Wickleder","Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2","Inorganic Chemistry","2011","50","","858","872","10.1021/ic101455z","","x-ray","0.71073","MoKα","","0.0243","0.0206","","","0.0467","0.0475","","","","","","0.978","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324293","9.6485","0.0011","8.426","0.0008","5.9075","0.0007","90","","90","","90","","480.27","0.09","153","2","153","2","","","","","","","","3","P b a 2","P 2 -2ab","32","Dirhenium(VII)-pentaoxide-bis(sulfate)","","","- O13 Re2 S2 -","- O13 Re2 S2 -","- O26 Re4 S4 -","2","0.5","","Ulf Betke; Mathias S. Wickleder","Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2","Inorganic Chemistry","2011","50","","858","872","10.1021/ic101455z","","x-ray","0.71073","MoKα","","0.0365","0.0322","","","0.0674","0.0687","","","","","","0.882","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324294","7.1544","0.0003","7.1619","0.0003","16.8551","0.0007","90","","90","","90","","863.64","0.06","153","2","153","2","","","","","","","","3","P b c m","-P 2c 2b","57","Dirhenium(VII)-pentaoxide-bis(sulfate)","","","- O13 Re2 S2 -","- O13 Re2 S2 -","- O52 Re8 S8 -","4","0.5","","Ulf Betke; Mathias S. Wickleder","Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2","Inorganic Chemistry","2011","50","","858","872","10.1021/ic101455z","","x-ray","0.71073","MoKα","","0.019","0.0179","","","0.0393","0.0396","","","","","","1.283","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324295","7.453","0.0011","11.8232","0.0008","7.8808","0.001","90","","107.924","0.015","90","","660.74","0.15","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tungsten(VI)-oxide-bis(sulfate)","","","- O9 S2 W -","- O9 S2 W -","- O36 S8 W4 -","4","1","","Ulf Betke; Mathias S. Wickleder","Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2","Inorganic Chemistry","2011","50","","858","872","10.1021/ic101455z","","x-ray","0.71073","MoKα","","0.0511","0.0249","","","0.0477","0.0556","","","","","","0.844","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324296","9.0399","0.0004","20.0369","0.0008","19.6152","0.0009","90","","92.4634","0.0016","90","","3549.6","0.3","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl4 Co N4 O2 -","- C30 H46 Cl4 Co N4 O2 -","- C120 H184 Cl16 Co4 N16 O8 -","4","1","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia; Alfonso Grassi","Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection","Inorganic Chemistry","2011","50","","900","910","10.1021/ic101467s","","","0.71073","MoKα","","0.1281","0.0734","","","0.1867","0.2279","","","","","","1.012","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324297","9.4281","0.0003","18.9355","0.0007","13.3689","0.0005","90","","91.056","0.002","90","","2386.29","0.15","295","","295","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H26 Cl2 Cu N4 O2 -","- C21 H26 Cl2 Cu N4 O2 -","- C84 H104 Cl8 Cu4 N16 O8 -","4","1","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia; Alfonso Grassi","Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection","Inorganic Chemistry","2011","50","","900","910","10.1021/ic101467s","","","0.71073","MoKα","","0.0482","0.0365","","","0.0864","0.0948","","","","","","1.053","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324298","19.6685","0.0003","19.6685","0.0003","53.1546","0.0006","90","","90","","120","","17808","0.4","295","","295","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C35 H40 Cl4 Co2 N8 O2 -","- C35 H40 Cl4 Co2 N8 O2 -","- C630 H720 Cl72 Co36 N144 O36 -","18","0.5","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia; Alfonso Grassi","Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection","Inorganic Chemistry","2011","50","","900","910","10.1021/ic101467s","","","0.71073","MoKα","","0.0723","0.053","","","0.1459","0.1637","","","","","","1.057","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324299","9.1544","0.0008","14.4953","0.0013","15.0072","0.0014","90","","103.606","0.004","90","","1935.5","0.3","295","","295","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H20 Cl2 N4 O Zn -","- C17 H20 Cl2 N4 O Zn -","- C68 H80 Cl8 N16 O4 Zn4 -","4","1","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia; Alfonso Grassi","Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection","Inorganic Chemistry","2011","50","","900","910","10.1021/ic101467s","","","0.71073","MoKα","","0.0815","0.0636","","","0.1516","0.1717","","","","","","1.024","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324300","8.6189","0.0002","14.6164","0.0005","16.9787","0.0006","90","","101.775","0.0014","90","","2093.92","0.11","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Cl2 Cu N4 O4 -","- C17 H26 Cl2 Cu N4 O4 -","- C68 H104 Cl8 Cu4 N16 O16 -","4","1","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia; Alfonso Grassi","Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection","Inorganic Chemistry","2011","50","","900","910","10.1021/ic101467s","","","0.71073","MoKα","","0.0563","0.0385","","","0.0916","0.1018","","","","","","1.035","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324301","11.4533","0.0008","20.5026","0.0015","9.3339","0.0006","90","","93.353","0.006","90","","2188.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cl4 Fe N10 O4 S2 -","- C36 H32 Cl4 Fe N10 O4 S2 -","- C72 H64 Cl8 Fe2 N20 O8 S4 -","2","0.5","","Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer","Inorganic Chemistry","2011","50","","911","917","10.1021/ic101490a","","","0.71073","MoKα","","0.1227","0.0658","","","0.1785","0.2038","","","","","","1.037","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324302","19.7325","0.001","9.7062","0.0004","16.4383","0.0007","90","","96.432","0.004","90","","3128.6","0.2","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Fe N10 S2 -","- C30 H28 Fe N10 S2 -","- C120 H112 Fe4 N40 S8 -","4","0.5","","Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer","Inorganic Chemistry","2011","50","","911","917","10.1021/ic101490a","","","0.71073","MoKα","","0.0653","0.0382","","","0.0821","0.0861","","","","","","0.967","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324303","19.5642","0.0009","9.563","0.0005","16.0572","0.0008","90","","96.356","0.004","90","","2985.7","0.3","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Fe N10 S2 -","- C30 H28 Fe N10 S2 -","- C120 H112 Fe4 N40 S8 -","4","0.5","","Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer","Inorganic Chemistry","2011","50","","911","917","10.1021/ic101490a","","","0.71073","MoKα","","0.0542","0.0356","","","0.0848","0.0885","","","","","","0.948","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324304","17.3303","0.0013","9.5903","0.0007","18.8701","0.0017","90","","100.299","0.008","90","","3085.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Mn N10 S2 -","- C30 H28 Mn N10 S2 -","- C120 H112 Mn4 N40 S8 -","4","1","","Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer","Inorganic Chemistry","2011","50","","911","917","10.1021/ic101490a","","","0.71073","MoKα","","0.0911","0.042","","","0.0897","0.116","","","","","","0.854","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324305","24.799","0.004","9.6101","0.0003","16.1899","0.0013","90","","126.901","0.01","90","","3085.5","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N10 S2 Zn -","- C30 H28 N10 S2 Zn -","- C120 H112 N40 S8 Zn4 -","4","0.5","","Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer","Inorganic Chemistry","2011","50","","911","917","10.1021/ic101490a","","","0.71073","MoKα","","0.0472","0.0332","","","0.0804","0.0826","","","","","","0.973","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324306","29.549","0.002","12.5168","0.0008","18.6829","0.0011","90","","90","","90","","6910","0.8","173","2","173","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C30 H28 Fe N10 O S2 -","- C30 H28 Fe N10 O S2 -","- C240 H224 Fe8 N80 O8 S16 -","8","1","","Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer","Inorganic Chemistry","2011","50","","911","917","10.1021/ic101490a","","","0.71073","MoKα","","0.0946","0.0539","","","0.1059","0.1133","","","","","","0.912","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324307","5.226","0.005","19.818","0.006","11.622","0.008","90","","90.58","0.05","90","","1203.6","1.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71069","MoKα","","0.0851","0.0495","","","0.1079","0.1249","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324308","5.263","0.005","20.268","0.019","11.792","0.01","90","","91.7","0.05","90","","1257","2","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71073","MoKα","","0.1602","0.047","","","0.0918","0.1217","","","","","","0.76","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324309","22.278","0.003","13.1202","0.0016","4.6379","0.0006","90","","90","","90","","1355.6","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C48 H52 N12 O24 -","4","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71073","MoKα","","0.142","0.0544","","","0.1092","0.1408","","","","","","0.988","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324310","22.4633","0.0005","13.0385","0.0013","4.699","0.002","90","","90","","90","","1376.3","0.6","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C48 H52 N12 O24 -","4","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71073","MoKα","","0.1919","0.0592","","","0.1122","0.1522","","","","","","0.944","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324311","8.9125","0.0008","9.0038","0.0007","9.2847","0.0007","86.053","0.004","67.287","0.003","71.695","0.003","651.34","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cu2 N4 O8 -","- C24 H28 Cu2 N4 O8 -","- C24 H28 Cu2 N4 O8 -","1","0.5","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71069","MoKα","","0.0335","0.0288","","","0.0738","0.0766","","","","","","1.05","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324312","10.2942","0.0006","6.3348","0.0003","21.6292","0.0013","90","","92.282","0.004","90","","1409.36","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Cu2 N4 O8 -","- C28 H32 Cu2 N4 O8 -","- C56 H64 Cu4 N8 O16 -","2","0.5","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71069","MoKα","","0.0696","0.0402","","","0.0846","0.0925","","","","","","1.007","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324313","6.9703","0.0025","7.5127","0.0025","16.1041","0.0058","92.337","0.023","91.659","0.023","113.541","0.021","771.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cu N3 O6 -","- C14 H15 Cu N3 O6 -","- C28 H30 Cu2 N6 O12 -","2","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71069","MoKα","","0.0718","0.0549","","","0.1299","0.1396","","","","","","1.021","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324314","20.618","0.004","10.3393","0.0019","23.857","0.004","90","","92.033","0.006","90","","5082.5","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cu2 N4 O8 -","- C24 H24 Cu2 N4 O8 -","- C192 H192 Cu16 N32 O64 -","8","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71069","MoKα","","0.0935","0.0459","","","0.088","0.1101","","","","","","1.031","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324315","8.573","0.005","11.252","0.006","15.721","0.007","90.221","0.003","100.454","0.006","99.651","0.002","1469.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cu N3 O7 -","- C12 H13 Cu N3 O7 -","- C48 H52 Cu4 N12 O28 -","4","2","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71069","MoKα","","0.109","0.0694","","","0.1842","0.2072","","","","","","1.04","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324316","7.8105","0.0009","13.853","0.0013","13.9295","0.0015","66.727","0.007","78.783","0.008","77.091","0.008","1340","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 Cu N3 O7 -","- C11 H13 Cu N3 O7 -","- C44 H52 Cu4 N12 O28 -","4","2","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71073","MoKα","","0.1542","0.0797","","","0.2036","0.2519","","","","","","1.053","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324317","9.3158","0.0017","11.64","0.002","13.057","0.002","90","","95.358","0.007","90","","1409.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cu N5 O4 -","- C13 H15 Cu N5 O4 -","- C52 H60 Cu4 N20 O16 -","4","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71069","MoKα","","0.1808","0.0682","","","0.1395","0.197","","","","","","1.069","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324318","9.8153","0.0018","15.232","0.003","9.3858","0.0016","90","","90.938","0.006","90","","1403.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cu N5 O4 -","- C13 H15 Cu N5 O4 -","- C52 H60 Cu4 N20 O16 -","4","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71073","MoKα","","0.0785","0.0441","","","0.0992","0.1278","","","","","","1.03","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324319","10.656","0.0005","20.283","0.0004","15.322","0.0007","90","","99.118","0.002","90","","3269.8","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dip2-AFAH:Tol","","","- C38 H48 N2 -","- C38 H48 N2 -","- C152 H192 N8 -","4","1","","Alexander M. Willcocks; Alexander Gilbank; Stephen P. Richards; Simon K. Brayshaw; Andrew J. Kingsley; Raj Odedra; Andrew L. Johnson","Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes","Inorganic Chemistry","2011","50","","937","948","10.1021/ic101524b","","","0.71073","MoKα","","0.124","0.0613","","","0.1231","0.1542","","","","","","1.016","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324320","9.917","0.0003","10.865","0.0004","14.53","0.0006","106.474","0.001","97.129","0.002","112.271","0.002","1341.18","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","2a","","","- C33 H25 Cu N4 -","- C33 H25 Cu N4 -","- C66 H50 Cu2 N8 -","2","1","","Alexander M. Willcocks; Alexander Gilbank; Stephen P. Richards; Simon K. Brayshaw; Andrew J. Kingsley; Raj Odedra; Andrew L. Johnson","Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes","Inorganic Chemistry","2011","50","","937","948","10.1021/ic101524b","","","0.71073","MoKα","","0.0572","0.0393","","","0.0853","0.0948","","","","","","1.032","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324321","11.111","0.0008","11.539","0.0007","11.966","0.001","66.999","0.002","76.739","0.002","72.76","0.003","1337.44","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","2b","","","- C33 H25 Cu N4 -","- C33 H25 Cu N4 -","- C66 H50 Cu2 N8 -","2","1","","Alexander M. Willcocks; Alexander Gilbank; Stephen P. Richards; Simon K. Brayshaw; Andrew J. Kingsley; Raj Odedra; Andrew L. Johnson","Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes","Inorganic Chemistry","2011","50","","937","948","10.1021/ic101524b","","","0.71073","MoKα","","0.1163","0.0562","","","0.1051","0.127","","","","","","0.972","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324322","8.114","0.0001","11.1","0.0002","21.976","0.0004","90","","90","","90","","1979.28","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3","","","- C23 H22 Cu N3 -","- C23 H22 Cu N3 -","- C92 H88 Cu4 N12 -","4","1","","Alexander M. Willcocks; Alexander Gilbank; Stephen P. Richards; Simon K. Brayshaw; Andrew J. Kingsley; Raj Odedra; Andrew L. Johnson","Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes","Inorganic Chemistry","2011","50","","937","948","10.1021/ic101524b","","","0.71073","MoKα","","0.0435","0.0314","","","0.0755","0.0813","","","","","","1.059","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324323","9.004","0.0002","9.729","0.0002","19.846","0.0006","97.112","0.001","91.995","0.001","106.002","0.002","1653.95","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4","","","- C35 H46 Cu N3 -","- C35 H46 Cu N3 -","- C70 H92 Cu2 N6 -","2","1","","Alexander M. Willcocks; Alexander Gilbank; Stephen P. Richards; Simon K. Brayshaw; Andrew J. Kingsley; Raj Odedra; Andrew L. Johnson","Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes","Inorganic Chemistry","2011","50","","937","948","10.1021/ic101524b","","","0.71073","MoKα","","0.041","0.0327","","","0.0782","0.0831","","","","","","1.05","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324324","11.489","0.0002","14.427","0.0002","18.419","0.0004","90","","90","","90","","3052.98","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6","","","- C33 H45 Al N2 -","- C33 H45 Al N2 -","- C132 H180 Al4 N8 -","4","1","","Alexander M. Willcocks; Alexander Gilbank; Stephen P. Richards; Simon K. Brayshaw; Andrew J. Kingsley; Raj Odedra; Andrew L. Johnson","Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes","Inorganic Chemistry","2011","50","","937","948","10.1021/ic101524b","","","0.71073","MoKα","","0.0882","0.0435","","","0.0844","0.096","","","","","","0.975","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324325","5.1136","0.0009","14.397","0.003","19.864","0.004","70.822","0.002","88.267","0.002","88.737","0.002","1380.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 O4 S2 -","- C18 H20 N2 O4 S2 -","- C54 H60 N6 O12 S6 -","3","1.5","","Garam Park; Hojin Yang; Tae Ho Kim; Jineun Kim","Copper(I) Coordination Polymers of N,N'-Bis[3-(methylthio)propyl]pyromellitic Diimide: Crystal Transformation and Solvatochromism by Halogen-π Interactions","Inorganic Chemistry","2011","50","","961","968","10.1021/ic101562p","","","0.71073","MoKα","","0.1229","0.0813","","","0.1619","0.1804","","","","","","1.172","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324326","7.2384","0.0014","7.7561","0.0015","19.188","0.004","100.062","0.011","99.706","0.01","90.402","0.01","1044.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 Cu I N2 O4 S2 -","- C18 H20 Cu I N2 O4 S2 -","- C36 H40 Cu2 I2 N4 O8 S4 -","2","1","","Garam Park; Hojin Yang; Tae Ho Kim; Jineun Kim","Copper(I) Coordination Polymers of N,N'-Bis[3-(methylthio)propyl]pyromellitic Diimide: Crystal Transformation and Solvatochromism by Halogen-π Interactions","Inorganic Chemistry","2011","50","","961","968","10.1021/ic101562p","","","0.71073","MoKα","","0.0798","0.0647","","","0.1811","0.1876","","","","","","1.097","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324327","9.5404","0.0008","11.0627","0.0009","11.2515","0.0009","62.306","0.001","82.881","0.001","83.975","0.001","1041.85","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 Cu I N2 O4 S2 -","- C18 H20 Cu I N2 O4 S2 -","- C36 H40 Cu2 I2 N4 O8 S4 -","2","1","","Garam Park; Hojin Yang; Tae Ho Kim; Jineun Kim","Copper(I) Coordination Polymers of N,N'-Bis[3-(methylthio)propyl]pyromellitic Diimide: Crystal Transformation and Solvatochromism by Halogen-π Interactions","Inorganic Chemistry","2011","50","","961","968","10.1021/ic101562p","","","0.71073","MoKα","","0.0301","0.0223","","","0.0555","0.0577","","","","","","1.049","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324328","4.452","0.0004","10.5759","0.0009","12.237","0.0011","100.148","0.001","92.69","0.001","96.826","0.001","561.77","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H10 Cu I N O2 S -","- C9 H10 Cu I N O2 S -","- C18 H20 Cu2 I2 N2 O4 S2 -","2","1","","Garam Park; Hojin Yang; Tae Ho Kim; Jineun Kim","Copper(I) Coordination Polymers of N,N'-Bis[3-(methylthio)propyl]pyromellitic Diimide: Crystal Transformation and Solvatochromism by Halogen-π Interactions","Inorganic Chemistry","2011","50","","961","968","10.1021/ic101562p","","","0.71073","MoKα","","0.0253","0.0225","","","0.0623","0.0784","","","","","","1.288","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324329","9.4682","0.0007","10.0563","0.0007","13.0343","0.0009","88.669","0.001","78.337","0.001","87.533","0.001","1214.18","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H22 Cl2 Cu I N2 O4 S2 -","- C19 H22 Cl2 Cu I N2 O4 S2 -","- C38 H44 Cl4 Cu2 I2 N4 O8 S4 -","2","1","","Garam Park; Hojin Yang; Tae Ho Kim; Jineun Kim","Copper(I) Coordination Polymers of N,N'-Bis[3-(methylthio)propyl]pyromellitic Diimide: Crystal Transformation and Solvatochromism by Halogen-π Interactions","Inorganic Chemistry","2011","50","","961","968","10.1021/ic101562p","","","0.71073","MoKα","","0.0402","0.0283","","","0.0702","0.0826","","","","","","1.108","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324330","15.3292","0.0014","10.7618","0.001","21.784","0.002","90","","104.223","0.001","90","","3483.5","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H56 Al3 Fe N2 Sc Si2 -","- C29 H56 Al3 Fe N2 Sc Si2 -","- C116 H224 Al12 Fe4 N8 Sc4 Si8 -","4","1","","Wenliang Huang; Colin T. Carver; Paula L. Diaconescu","Transmetalation Reactions of a Scandium Complex Supported by a Ferrocene Diamide Ligand","Inorganic Chemistry","2011","50","","978","984","10.1021/ic1016005","","","0.71073","MoKα","","0.0492","0.0338","","","0.085","0.0922","","","","","","1.03","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324331","14.598","0.003","7.5247","0.0014","21.711","0.004","90","","109.531","0.002","90","","2247.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H35 Al3 N4 -","- C16 H35 Al3 N4 -","- C64 H140 Al12 N16 -","4","1","","Wenliang Huang; Colin T. Carver; Paula L. Diaconescu","Transmetalation Reactions of a Scandium Complex Supported by a Ferrocene Diamide Ligand","Inorganic Chemistry","2011","50","","978","984","10.1021/ic1016005","","","0.71073","MoKα","","0.0564","0.0378","","","0.0854","0.0899","","","","","","0.92","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324332","8.55","0.004","10.077","0.003","11.255","0.004","77.672","0.013","73.974","0.017","88.701","0.017","909.9","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","[Co3(OH2)2(G1)(btec)]-2(H2O)","","- C36 H28 Co3 N8 O16 -","- C36 H28 Co3 N8 O16 -","- C36 H28 Co3 N8 O16 -","1","0.5","","Zhi Su; Min Chen; Taka-aki Okamura; Man-Sheng Chen; Shui-Sheng Chen; Wei-Yin Sun","Reversible Single-Crystal-to-Single-Crystal Transformation and Highly Selective Adsorption Property of Three-Dimensional Cobalt(II) Frameworks","Inorganic Chemistry","2011","50","","985","991","10.1021/ic101618n","","","0.71075","MoKα","","0.0344","0.0312","","","0.0813","0.0825","","","","","","1.082","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324333","8.683","0.006","9.849","0.006","10.927","0.007","71.6","0.02","73.81","0.03","86.83","0.03","851","1","433","","433","","","","","","","","","5","P -1","-P 1","2","","[Co3(G1)2(btec)]","","- C36 H20 Co3 N8 O12 -","- C36 H20 Co3 N8 O12 -","- C36 H20 Co3 N8 O12 -","1","0.5","","Zhi Su; Min Chen; Taka-aki Okamura; Man-Sheng Chen; Shui-Sheng Chen; Wei-Yin Sun","Reversible Single-Crystal-to-Single-Crystal Transformation and Highly Selective Adsorption Property of Three-Dimensional Cobalt(II) Frameworks","Inorganic Chemistry","2011","50","","985","991","10.1021/ic101618n","","","0.71075","MoKα","","0.047","0.0382","","","0.1015","0.1067","","","","","","1.102","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324334","8.5503","0.0012","10.07","0.0014","11.2653","0.0015","77.638","0.002","73.921","0.001","88.716","0.002","909.7","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Co3 N8 O16 -","- C36 H24 Co3 N8 O16 -","- C36 H24 Co3 N8 O16 -","1","0.5","","Zhi Su; Min Chen; Taka-aki Okamura; Man-Sheng Chen; Shui-Sheng Chen; Wei-Yin Sun","Reversible Single-Crystal-to-Single-Crystal Transformation and Highly Selective Adsorption Property of Three-Dimensional Cobalt(II) Frameworks","Inorganic Chemistry","2011","50","","985","991","10.1021/ic101618n","","","0.71073","MoKα","","0.0395","0.0349","","","0.0904","0.0929","","","","","","1.012","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324335","12.5942","0.0017","12.7607","0.0018","25.769","0.004","93.835","0.002","98.987","0.003","91.077","0.002","4079.6","1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H42 Cl Cu6 F36 N13 O6 -","- C46 H42 Cl Cu6 F36 N13 O6 -","- C92 H84 Cl2 Cu12 F72 N26 O12 -","2","1","","Ahmed A. Mohamed; Simone Ricci; Alfredo Burini; Rossana Galassi; Carlo Santini; Gina M. Chiarella; Doris Y. Melgarejo; John P. Fackler","Halide and Nitrite Recognizing Hexanuclear Metallacycle Copper(II) Pyrazolates","Inorganic Chemistry","2011","50","","1014","1020","10.1021/ic1016824","","","0.71073","MoKα","","0.0636","0.0436","","","0.1007","0.1063","","","","","","1.015","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324336","12.6182","0.0017","12.7454","0.0017","25.807","0.004","93.053","0.002","99.173","0.002","91.543","0.002","4088.9","1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C58.16 H76 Br Cu6 F36 N13 O6 -","- C58.158 H76 Br Cu6 F36 N13 O6 -","- C116.316 H152 Br2 Cu12 F72 N26 O12 -","2","1","","Ahmed A. Mohamed; Simone Ricci; Alfredo Burini; Rossana Galassi; Carlo Santini; Gina M. Chiarella; Doris Y. Melgarejo; John P. Fackler","Halide and Nitrite Recognizing Hexanuclear Metallacycle Copper(II) Pyrazolates","Inorganic Chemistry","2011","50","","1014","1020","10.1021/ic1016824","","","0.71073","MoKα","","0.0756","0.0435","","","0.0966","0.1095","","","","","","1.035","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324337","12.5997","0.0016","12.7588","0.0016","25.747","0.003","93.777","0.002","98.994","0.002","91.077","0.002","4077.5","0.9","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H73 Cu6 F36 I N13 O6 -","- C58 H73 Cu6 F36 I N13 O6 -","- C116 H146 Cu12 F72 I2 N26 O12 -","2","1","","Ahmed A. Mohamed; Simone Ricci; Alfredo Burini; Rossana Galassi; Carlo Santini; Gina M. Chiarella; Doris Y. Melgarejo; John P. Fackler","Halide and Nitrite Recognizing Hexanuclear Metallacycle Copper(II) Pyrazolates","Inorganic Chemistry","2011","50","","1014","1020","10.1021/ic1016824","","","0.71073","MoKα","","0.0682","0.0499","","","0.138","0.1497","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324338","22.366","0.007","13.967","0.007","29.09","0.012","90","","112.246","0.011","90","","8411","6","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H36 Cu6 F36 N14 O8 P2 -","- C264 H168 Cu24 F144 N56 O32 P8 -","- C264 H168 Cu24 F144 N56 O32 P8 -","1","0.125","","Ahmed A. Mohamed; Simone Ricci; Alfredo Burini; Rossana Galassi; Carlo Santini; Gina M. Chiarella; Doris Y. Melgarejo; John P. Fackler","Halide and Nitrite Recognizing Hexanuclear Metallacycle Copper(II) Pyrazolates","Inorganic Chemistry","2011","50","","1014","1020","10.1021/ic1016824","","","0.71073","MoKα","","0.0932","0.0502","","","0.1219","0.1358","","","","","","0.957","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324339","20.073","0.004","16.004","0.003","21.505","0.004","90","","106.775","0.003","90","","6614","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl4 Fe8 N28 O4 S4 -","- C42 H40 Cl4 Fe8 N28 O4 S4 -","- C168 H160 Cl16 Fe32 N112 O16 S16 -","4","1","","Ekaterina M. Zueva; W. M. C. Sameera; Dalice M. Piñero; Indranil Chakraborty; Eamonn Devlin; Peter Baran; Katarina Lebruskova; Yiannis Sanakis; John E. McGrady; Raphael G. Raptis","Experimental and Theoretical Mössbauer Study of an Extended Family of [Fe8(μ4-O)4(μ-4-R-px)12X4] Clusters","Inorganic Chemistry","2011","50","","1021","1029","10.1021/ic101691q","","","0.71073","MoKα","","0.0957","0.0464","","","0.1014","0.1192","","","","","","1.003","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324340","13.528","0.003","22.157","0.004","27.626","0.006","90","","99.49","0.03","90","","8167","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 Cl12 Fe8 N28 O4 S4 -","- C40 H24 Cl12 Fe8 N28 O4 S4 -","- C160 H96 Cl48 Fe32 N112 O16 S16 -","4","1","","Ekaterina M. Zueva; W. M. C. Sameera; Dalice M. Piñero; Indranil Chakraborty; Eamonn Devlin; Peter Baran; Katarina Lebruskova; Yiannis Sanakis; John E. McGrady; Raphael G. Raptis","Experimental and Theoretical Mössbauer Study of an Extended Family of [Fe8(μ4-O)4(μ-4-R-px)12X4] Clusters","Inorganic Chemistry","2011","50","","1021","1029","10.1021/ic101691q","","","0.71073","MoKα","","0.1589","0.0727","","","0.1787","0.2293","","","","","","0.79","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324341","8.8097","0.0005","12.7717","0.0008","25.1973","0.0015","90","","97.547","0.001","90","","2810.5","0.3","223","1","223","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl4 N2 O4 Ti -","- C24 H32 Cl4 N2 O4 Ti -","- C96 H128 Cl16 N8 O16 Ti4 -","4","1","","Dani Peri; Sigalit Meker; Cesar M. Manna; Edit Y. Tshuva","Different ortho and para Electronic Effects on Hydrolysis and Cytotoxicity of Diamino Bis(Phenolato) ""Salan"" Ti(IV) Complexes","Inorganic Chemistry","2011","50","","1030","1038","10.1021/ic101693v","","","0.71073","MoKα","","0.0856","0.0815","","","0.1734","0.1757","","","","","","1.312","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324342","12.9257","0.0007","14.3936","0.0008","22.5755","0.0012","101.578","0.001","97.023","0.001","110.178","0.001","3777.4","0.4","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90.5 Cl6 N6 O11.5 Ti3 -","- C68 H90.5 Cl6 N6 O11.5 Ti3 -","- C136 H181 Cl12 N12 O23 Ti6 -","2","1","","Dani Peri; Sigalit Meker; Cesar M. Manna; Edit Y. Tshuva","Different ortho and para Electronic Effects on Hydrolysis and Cytotoxicity of Diamino Bis(Phenolato) ""Salan"" Ti(IV) Complexes","Inorganic Chemistry","2011","50","","1030","1038","10.1021/ic101693v","","","0.71073","MoKα","","0.0732","0.0646","","","0.1886","0.1955","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324343","14.0638","0.0008","9.8813","0.0007","14.0008","0.001","90","","90","","90","","1945.7","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- B2 Cl Co3 Na6 O22 P5 -","- B2 Cl Co3 Na6 O22 P5 -","- B8 Cl4 Co12 Na24 O88 P20 -","4","0.5","","Tan Su; Hongzhu Xing; Jin Xu; Jihong Yu; Ruren Xu","Ionothermal Syntheses and Characterizations of New Open-Framework Metal Borophosphates","Inorganic Chemistry","2011","50","","1073","1078","10.1021/ic101713y","","","0.71073","MoKα","","0.1019","0.0511","","","0.1351","0.1637","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324344","14.4939","0.0003","9.2539","0.0003","14.8031","0.0004","90","","101.46","0.001","90","","1945.88","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 K5 Mn2 O21 P5 -","- B2 K5 Mn2 O21 P5 -","- B8 K20 Mn8 O84 P20 -","4","1","","Tan Su; Hongzhu Xing; Jin Xu; Jihong Yu; Ruren Xu","Ionothermal Syntheses and Characterizations of New Open-Framework Metal Borophosphates","Inorganic Chemistry","2011","50","","1073","1078","10.1021/ic101713y","","","0.71073","MoKα","","0.045","0.0352","","","0.1172","0.1241","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324345","9.6928","0.0003","9.8747","0.0003","10.0125","0.0002","62.057","0.002","82.456","0.002","76.095","0.002","821.6","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- B4 Co2 N8 O34 P8 -","- B4 Co2 N8 O34 P8 -","- B4 Co2 N8 O34 P8 -","1","1","","Tan Su; Hongzhu Xing; Jin Xu; Jihong Yu; Ruren Xu","Ionothermal Syntheses and Characterizations of New Open-Framework Metal Borophosphates","Inorganic Chemistry","2011","50","","1073","1078","10.1021/ic101713y","","","0.71073","MoKα","","0.0562","0.0523","","","0.1354","0.1396","","","","","","1.059","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324346","13.4823","0.0005","15.541","0.0007","7.7907","0.0003","90","","90","","90","","1632.37","0.11","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H15 F N4 O3 Tc -","- C16 N4 O3 Tc -","- C64 N16 O12 Tc4 -","4","1","","Khajadpai Thipyapong; Tomoya Uehara; Yuji Tooyama; Henrik Braband; Roger Alberto; Yasushi Arano","Insight into Technetium Amidoxime Complex: Oxo Technetium(V) Complex of N-Substituted Benzamidoxime as New Basic Structure for Molecular Imaging","Inorganic Chemistry","2011","50","","992","998","10.1021/ic101714q","","","0.71073","MoKα","","0.0992","0.0694","","","0.1667","0.1764","","","","","","0.968","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324347","8.2219","0.0016","4.1925","0.0008","13.625","0.003","90","","90","","90","","469.66","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ru2 Sn2 Zn3 -","- Ru2 Sn2 Zn3 -","- Ru8 Sn8 Zn12 -","4","0.5","","Ding-Bang Xiong; Norihiko L. Okamoto; Haruyuki Inui","Planar Symmetry Incompatibility in Ru-Sn-Zn Pseudo-Decagonal Approximants Composed of Novel Pentagonal Antiprisms","Inorganic Chemistry","2011","50","","827","835","10.1021/ic101720m","","","0.71073","MoKα","","0.0386","0.0369","","","0.0891","0.0916","","","","","","1.193","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324348","8.3394","0.0017","4.2914","0.0009","28.864","0.006","90","","90","","90","","1033","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ru4.15 Sn4.96 Zn5.85 -","- Ru4.16 Sn4.963 Zn5.84 -","- Ru16.64 Sn19.852 Zn23.36 -","4","0.5","","Ding-Bang Xiong; Norihiko L. Okamoto; Haruyuki Inui","Planar Symmetry Incompatibility in Ru-Sn-Zn Pseudo-Decagonal Approximants Composed of Novel Pentagonal Antiprisms","Inorganic Chemistry","2011","50","","827","835","10.1021/ic101720m","","","0.71073","MoKα","","0.0594","0.045","","","0.1082","0.115","","","","","","1.052","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324349","8.9779","0.0005","10.848","0.0006","13.2027","0.0008","97.436","0.001","94.259","0.001","92.101","0.001","1270.11","0.13","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 F3 Fe N4 O3 S5 -","- C22 H16 F3 Fe N4 O3 S5 -","- C44 H32 F6 Fe2 N8 O6 S10 -","2","1","","Partha Halder; Tapan Kanti Paine","Rearrangement of the Tris(2-pyridylthio)methanido Ligand in an Iron(II) Complex Containing an Fe-C Bond","Inorganic Chemistry","2011","50","","708","710","10.1021/ic101913p","","","0.71073","MoKα","","0.0586","0.0527","","","0.1528","0.1586","","","","","","1.093","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324350","11.7123","0.0015","11.1622","0.0014","21.735","0.003","90","","101.507","0.003","90","","2784.4","0.6","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Cl2 F3 Fe N4 O3 S5 -","- C23 H18 Cl2 F3 Fe N4 O3 S5 -","- C92 H72 Cl8 F12 Fe4 N16 O12 S20 -","4","1","","Partha Halder; Tapan Kanti Paine","Rearrangement of the Tris(2-pyridylthio)methanido Ligand in an Iron(II) Complex Containing an Fe-C Bond","Inorganic Chemistry","2011","50","","708","710","10.1021/ic101913p","","","0.71073","MoKα","","0.0528","0.0394","","","0.1024","0.1099","","","","","","1.073","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324351","11.7435","0.0006","8.0479","0.0004","7.4108","0.0004","90","","90","","90","","700.4","0.06","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Neptunium sulfide","","","- Np3 S5 -","- Np3 S5 -","- Np12 S20 -","4","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Syntheses, Structures, and Magnetic Properties of Np3S5 and Np3Se5","Inorganic Chemistry","2011","50","","1084","1088","10.1021/ic101915x","","","0.71073","MoKα","","0.0197","0.0183","","","0.04","0.0405","","","","","","1.451","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324352","12.2863","0.0005","8.3499","0.0004","7.7583","0.0003","90","","90","","90","","795.92","0.06","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Neptunium selenide","","","- Np3 Se5 -","- Np3 Se5 -","- Np12 Se20 -","4","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Syntheses, Structures, and Magnetic Properties of Np3S5 and Np3Se5","Inorganic Chemistry","2011","50","","1084","1088","10.1021/ic101915x","","","0.71073","MoKα","","0.0233","0.0222","","","0.0472","0.0474","","","","","","1.863","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324353","6.0895","0.0003","6.1832","0.0004","15.042","0.001","79.308","0.004","82.038","0.004","68.276","0.003","515.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H3 O5 S2 Tc -","- C6 H3 O5 S2 Tc -","- C12 H6 O10 S4 Tc2 -","2","1","","A. E. Miroslavov; G. V. Sidorenko; D. N. Suglobov; A. A. Lumpov; V. V. Gurzhiy; M. S. Grigor'ev; V. A. Mikhalev","Technetium(I) Carbonyl Dithiocarbamates and Xanthates","Inorganic Chemistry","2011","50","","1098","1104","10.1021/ic1019313","","","0.71073","MoKα","","0.0597","0.0426","","","0.1138","0.1263","","","","","","1.079","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324354","15.5131","0.0009","12.0442","0.001","13.5538","0.0008","90","","103.368","0.005","90","","2463.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N2 O6 S4 Tc2 -","- C16 H20 N2 O6 S4 Tc2 -","- C64 H80 N8 O24 S16 Tc8 -","4","0.5","","A. E. Miroslavov; G. V. Sidorenko; D. N. Suglobov; A. A. Lumpov; V. V. Gurzhiy; M. S. Grigor'ev; V. A. Mikhalev","Technetium(I) Carbonyl Dithiocarbamates and Xanthates","Inorganic Chemistry","2011","50","","1098","1104","10.1021/ic1019313","","","0.71073","MoKα","","0.0541","0.0412","","","0.1145","0.1214","","","","","","1.113","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324355","11.5981","0.0009","10.7273","0.0008","13.3522","0.0011","90","","95.615","0.002","90","","1653.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N2 O3 S2 Tc -","- C13 H15 N2 O3 S2 Tc -","- C52 H60 N8 O12 S8 Tc4 -","4","1","","A. E. Miroslavov; G. V. Sidorenko; D. N. Suglobov; A. A. Lumpov; V. V. Gurzhiy; M. S. Grigor'ev; V. A. Mikhalev","Technetium(I) Carbonyl Dithiocarbamates and Xanthates","Inorganic Chemistry","2011","50","","1098","1104","10.1021/ic1019313","","","0.71073","MoKα","","0.04","0.0258","","","0.0733","0.1047","","","","","","1.061","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324356","13.3454","0.0014","15.1335","0.0016","16.1209","0.0017","104.903","0.002","113.199","0.002","92.983","0.003","2848.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H35 Mo N9 O21 Re2 -","- C52 H35 Mo N9 O21 Re2 -","- C104 H70 Mo2 N18 O42 Re4 -","2","1","","Vincent A. Corden; Anne-K. Duhme-Klair; Sarah Hostachy; Robin N. Perutz; Nicole Reddig; Hans-Christian Becker; Leif Hammarström","Spectroscopic and Structural Investigations Reveal the Signaling Mechanism of a Luminescent Molybdate Sensor","Inorganic Chemistry","2011","50","","1105","1115","10.1021/ic1019422","","","0.71073","MoKα","","0.1001","0.0548","","","0.1189","0.1319","","","","","","0.978","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324357","17.592","0.004","12.234","0.002","19.212","0.004","90","","107.35","0.03","90","","3946.7","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl2 F6 N2 O2 Ru2 -","- C40 H38 Cl2 F6 N2 O2 Ru2 -","- C160 H152 Cl8 F24 N8 O8 Ru8 -","4","1","","David Schweinfurth; Hari Sankar Das; Fritz Weisser; Denis Bubrin; Biprajit Sarkar","One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes","Inorganic Chemistry","2011","50","","1150","1159","10.1021/ic101972u","","","0.71073","MoKα","","0.1403","0.0777","","","0.1575","0.1748","","","","","","1.283","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324358","36.128","0.004","11.6518","0.0013","23.099","0.003","90","","96.245","0.009","90","","9666","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H51 Cl2 N3 O3 Ru2 S2 -","- C43 H51 Cl2 N3 O3 Ru2 S2 -","- C344 H408 Cl16 N24 O24 Ru16 S16 -","8","1","","David Schweinfurth; Hari Sankar Das; Fritz Weisser; Denis Bubrin; Biprajit Sarkar","One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes","Inorganic Chemistry","2011","50","","1150","1159","10.1021/ic101972u","","","0.71073","MoKα","","0.1731","0.1086","","","0.2359","0.255","","","","","","1.318","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324359","8.0825","0.0005","12.4651","0.0007","12.4812","0.0008","100.619","0.003","101.953","0.003","107.976","0.004","1127.77","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.5 H37.5 Cl2 N8 O10 Ru2 S2 -","- C35.5 H37.5 Cl2 N8 O10 Ru2 S2 -","- C35.5 H37.5 Cl2 N8 O10 Ru2 S2 -","1","0.5","","David Schweinfurth; Hari Sankar Das; Fritz Weisser; Denis Bubrin; Biprajit Sarkar","One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes","Inorganic Chemistry","2011","50","","1150","1159","10.1021/ic101972u","","","0.71073","MoKα","","0.0869","0.0621","","","0.137","0.1501","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324360","9.961","0.002","11.829","0.002","15.068","0.003","90","","93.1","0.03","90","","1772.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F6 N2 O2 -","- C20 H12 F6 N2 O2 -","- C80 H48 F24 N8 O8 -","4","0.5","","David Schweinfurth; Hari Sankar Das; Fritz Weisser; Denis Bubrin; Biprajit Sarkar","One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes","Inorganic Chemistry","2011","50","","1150","1159","10.1021/ic101972u","","","0.71073","MoKα","","0.0613","0.0424","","","0.1104","0.1189","","","","","","1.308","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324361","3.8774","0.0001","9.3734","0.0003","11.8747","0.0004","93.894","0.002","97.976","0.002","95.969","0.002","423.6","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O2 S2 -","- C20 H18 N2 O2 S2 -","- C20 H18 N2 O2 S2 -","1","0.5","","David Schweinfurth; Hari Sankar Das; Fritz Weisser; Denis Bubrin; Biprajit Sarkar","One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes","Inorganic Chemistry","2011","50","","1150","1159","10.1021/ic101972u","","","0.71073","MoKα","","0.0392","0.0343","","","0.0817","0.084","","","","","","1.107","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324362","9.92","0.001","10.875","0.001","11.678","0.001","112.223","0.001","102.814","0.001","106.508","0.001","1038.38","0.17","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Ag Cl N2 O5.5 -","- C20 H12 Ag Cl N2 O4 -","- C40 H24 Ag2 Cl2 N4 O8 -","2","1","","Kelly J. Kilpin; Martin L. Gower; Shane G. Telfer; Geoffrey B. Jameson; James D. Crowley","Toward the Self-Assembly of Metal-Organic Nanotubes Using Metal-Metal and π-Stacking Interactions: Bis(pyridylethynyl) Silver(I) Metallo-macrocycles and Coordination Polymers","Inorganic Chemistry","2011","50","","1123","1134","10.1021/ic1020059","","","0.71069","MoKα","","0.037","0.035","","","0.1025","0.1051","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324363","9.505","0.001","13.797","0.002","16.3534","0.0017","90","","97.151","0.005","90","","2127.9","0.4","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Ag2 Cl2 N6 O9 -","- C42 H32 Ag2 Cl2 N6 O9 -","- C84 H64 Ag4 Cl4 N12 O18 -","2","0.5","","Kelly J. Kilpin; Martin L. Gower; Shane G. Telfer; Geoffrey B. Jameson; James D. Crowley","Toward the Self-Assembly of Metal-Organic Nanotubes Using Metal-Metal and π-Stacking Interactions: Bis(pyridylethynyl) Silver(I) Metallo-macrocycles and Coordination Polymers","Inorganic Chemistry","2011","50","","1123","1134","10.1021/ic1020059","","","0.71073","MoKα","","0.0868","0.077","","","0.2086","0.213","","","","","","1.508","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324364","14.4471","0.001","13.9583","0.0011","16.5272","0.0013","90","","90","","90","","3332.8","0.4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H11 Ag Cl N3 O4 -","- C16 H11 Ag Cl N3 O4 -","- C128 H88 Ag8 Cl8 N24 O32 -","8","1","","Kelly J. Kilpin; Martin L. Gower; Shane G. Telfer; Geoffrey B. Jameson; James D. Crowley","Toward the Self-Assembly of Metal-Organic Nanotubes Using Metal-Metal and π-Stacking Interactions: Bis(pyridylethynyl) Silver(I) Metallo-macrocycles and Coordination Polymers","Inorganic Chemistry","2011","50","","1123","1134","10.1021/ic1020059","","","0.71073","MoKα","","0.038","0.0254","","","0.058","0.0622","","","","","","1.047","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324365","7.623","0.005","11.505","0.006","12.375","0.009","92.43","0.02","98.992","0.011","92.46","0.03","1069.7","1.2","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Ag F6 N4 Sb -","- C18 H14 Ag F6 N4 Sb -","- C36 H28 Ag2 F12 N8 Sb2 -","2","1","","Kelly J. Kilpin; Martin L. Gower; Shane G. Telfer; Geoffrey B. Jameson; James D. Crowley","Toward the Self-Assembly of Metal-Organic Nanotubes Using Metal-Metal and π-Stacking Interactions: Bis(pyridylethynyl) Silver(I) Metallo-macrocycles and Coordination Polymers","Inorganic Chemistry","2011","50","","1123","1134","10.1021/ic1020059","","","0.71073","MoKα","","0.094","0.0649","","","0.1645","0.1856","","","","","","1.019","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324366","12.9114","0.0017","22.3632","0.0017","11.9153","0.0008","90","","90","","90","","3440.4","0.6","123","2","123","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C76 H48 Ag2 F12 N6.67 Sb2 -","- C76 H48 Ag2 F12 N6.72 Sb2 -","- C152 H96 Ag4 F24 N13.44 Sb4 -","2","0.125","","Kelly J. Kilpin; Martin L. Gower; Shane G. Telfer; Geoffrey B. Jameson; James D. Crowley","Toward the Self-Assembly of Metal-Organic Nanotubes Using Metal-Metal and π-Stacking Interactions: Bis(pyridylethynyl) Silver(I) Metallo-macrocycles and Coordination Polymers","Inorganic Chemistry","2011","50","","1123","1134","10.1021/ic1020059","","","1.54178","CuKα","","0.074","0.0635","","","0.18","0.1955","","","","","","1.02","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324367","17.067","0.003","18.815","0.003","23.195","0.004","90","","90","","90","","7448","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiHCl(IMes)2","","","- C42 H49 Cl N4 Ni -","- C42 H49 Cl N4 Ni -","- C336 H392 Cl8 N32 Ni8 -","8","1","","Chang Hoon Lee; Timothy R. Cook; Daniel G. Nocera","HX Addition and Photochemical H2 Elimination by Ni NHC Complexes","Inorganic Chemistry","2011","50","","714","716","10.1021/ic102017t","","","0.71073","MoKα","","0.0999","0.0581","","","0.1405","0.1664","","","","","","1.023","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324368","17.0558","0.001","18.7976","0.0012","23.1314","0.0014","90","","90","","90","","7416.1","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiCl(IMes)2","","","- C42 H48 Cl N4 Ni -","- C42 H48 Cl N4 Ni -","- C336 H384 Cl8 N32 Ni8 -","8","1","","Chang Hoon Lee; Timothy R. Cook; Daniel G. Nocera","HX Addition and Photochemical H2 Elimination by Ni NHC Complexes","Inorganic Chemistry","2011","50","","714","716","10.1021/ic102017t","","","1.54178","CuKα","","0.0946","0.0687","","","0.2114","0.2711","","","","","","1.125","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324369","17.1678","0.0011","18.7108","0.0012","23.317","0.0015","90","","90","","90","","7490","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiHBr(IMes)2","","","- C42 H48.96 Br1.04 N4 Ni -","- C42 H48.9598 Br1.0402 N4 Ni -","- C336 H391.678 Br8.3216 N32 Ni8 -","8","1","","Chang Hoon Lee; Timothy R. Cook; Daniel G. Nocera","HX Addition and Photochemical H2 Elimination by Ni NHC Complexes","Inorganic Chemistry","2011","50","","714","716","10.1021/ic102017t","","","0.71073","MoKα","","0.0703","0.0437","","","0.1092","0.1253","","","","","","1.048","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324370","17.2448","0.0016","18.7973","0.0018","23.302","0.002","90","","90","","90","","7553.5","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Br N4 Ni -","- C42 H48 Br N4 Ni -","- C336 H384 Br8 N32 Ni8 -","8","1","","Chang Hoon Lee; Timothy R. Cook; Daniel G. Nocera","HX Addition and Photochemical H2 Elimination by Ni NHC Complexes","Inorganic Chemistry","2011","50","","714","716","10.1021/ic102017t","","","0.71073","MoKα","","0.0487","0.0351","","","0.0869","0.0948","","","","","","1.036","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324371","6.418","0.0009","13.9","0.002","13.01","0.002","90","","95.594","0.014","90","","1155.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Cl2 N6 O0.5 -","- C22 H27 Cl2 N6 O0.5 -","- C44 H54 Cl4 N12 O -","2","0.5","","Ryan R. Dykeman; Ning Yan; Rosario Scopelliti; Paul J. Dyson","Enhanced Rate of Arene Hydrogenation with Imidazolium Functionalized Bipyridine Stabilized Rhodium Nanoparticle Catalysts","Inorganic Chemistry","2011","50","","717","719","10.1021/ic102041q","","","0.71073","MoKα","","0.1176","0.0608","","","0.1237","0.1503","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324372","8.564","0.0009","39.64","0.005","12.864","0.002","90","","103.804","0.013","90","","4240.9","1","140","2","140","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl F12 N8 O11 Re S4 -","- C29 H26 Cl F12 N8 O11 Re S4 -","- C116 H104 Cl4 F48 N32 O44 Re4 S16 -","4","1","","Ryan R. Dykeman; Ning Yan; Rosario Scopelliti; Paul J. Dyson","Enhanced Rate of Arene Hydrogenation with Imidazolium Functionalized Bipyridine Stabilized Rhodium Nanoparticle Catalysts","Inorganic Chemistry","2011","50","","717","719","10.1021/ic102041q","","","0.71073","MoKα","","0.053","0.046","","","0.0924","0.0944","","","","","","1.155","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324373","26.11","0.03","32.049","0.014","18.408","0.011","90","","90","","90","","15404","2","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C6 H121 N Na16 O160 Sb3 W28 Y3 -","- C6 H9 Na5.8 O126 Sb3 W28 Y3 -","- C24 H36 Na23.2 O504 Sb12 W112 Y12 -","4","0.5","","Masooma Ibrahim; Sib Sankar Mal; Bassem S. Bassil; Abhishek Banerjee; Ulrich Kortz","Yttrium(III)-Containing Tungstoantimonate(III) Stabilized by Tetrahedral WO42-Capping Unit, [{Y(α-SbW9O31(OH)2)(CH3COO)(H2O)}3(WO4)]17-","Inorganic Chemistry","2011","50","","956","960","10.1021/ic102149c","","","0.71073","MoKα","","0.1159","0.0762","","","0.1998","0.2358","","","","","","1.094","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324374","11.768","0.002","25.474","0.005","14.624","0.003","90","","93.51","0.03","90","","4375.7","1.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H42 Dy2 N3 O13 -","- C42.5 H41 Dy2 N3 O13 -","- C170 H164 Dy8 N12 O52 -","4","1","","Pei-Pei Yang; Xi-Feng Gao; Hai-Bin Song; Sai Zhang; Xue-Lan Mei; Li-Cun Li; Dai-Zheng Liao","Slow Magnetic Relaxation in Novel Dy4 and Dy8 Compounds","Inorganic Chemistry","2011","50","","720","722","10.1021/ic1021643","","","0.71073","MoKα","","0.0888","0.0697","","","0.1752","0.1918","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324375","18.164","0.003","15.223","0.002","31.266","0.005","90","","95.524","0.002","90","","8605","2","113","2","113","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C146.18 H139.27 Dy8 N17.09 O83 -","- C146.184 H129.276 Dy8 N17.092 O83 -","- C292.368 H258.552 Dy16 N34.184 O166 -","2","0.5","","Pei-Pei Yang; Xi-Feng Gao; Hai-Bin Song; Sai Zhang; Xue-Lan Mei; Li-Cun Li; Dai-Zheng Liao","Slow Magnetic Relaxation in Novel Dy4 and Dy8 Compounds","Inorganic Chemistry","2011","50","","720","722","10.1021/ic1021643","","","0.71073","MoKα","","0.0417","0.0393","","","0.0885","0.0896","","","","","","1.161","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324376","12.249","0.002","9.394","0.0019","15.429","0.003","90","","109.29","0.03","90","","1675.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N18 Ni4 O14 -","- C20 H18 N18 Ni4 O14 -","- C40 H36 N36 Ni8 O28 -","2","0.5","","Guang-Yu An; Cong-Min Ji; Ai-Li Cui; Hui-Zhong Kou","Pyrazine-2-amidoxime Ni(II) Complexes: From Ferromagnetic Cluster to Antiferromagnetic Layer","Inorganic Chemistry","2011","50","","1079","1083","10.1021/ic1022714","","","0.71073","MoKα","","0.157","0.1179","","","0.2326","0.252","","","","","","1.087","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324377","15.3903","0.001","19.2521","0.0013","23.217","0.0014","90","","95.504","0.002","90","","6847.4","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 Cl2 N22 Ni4 O12 -","- C50 H38 Cl2 N22 Ni4 O12 -","- C200 H152 Cl8 N88 Ni16 O48 -","4","0.5","","Guang-Yu An; Cong-Min Ji; Ai-Li Cui; Hui-Zhong Kou","Pyrazine-2-amidoxime Ni(II) Complexes: From Ferromagnetic Cluster to Antiferromagnetic Layer","Inorganic Chemistry","2011","50","","1079","1083","10.1021/ic1022714","","","0.71073","MoKα","","0.0901","0.0594","","","0.1692","0.1963","","","","","","1.011","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324378","15.1653","0.0009","19.4484","0.0008","22.8356","0.0009","90","","90","","90","","6735.2","0.6","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C60 H58 N26 Ni4 O10 -","- C60 H38 N26 Ni4 O10 -","- C240 H152 N104 Ni16 O40 -","4","","","Guang-Yu An; Cong-Min Ji; Ai-Li Cui; Hui-Zhong Kou","Pyrazine-2-amidoxime Ni(II) Complexes: From Ferromagnetic Cluster to Antiferromagnetic Layer","Inorganic Chemistry","2011","50","","1079","1083","10.1021/ic1022714","","","0.71073","MoKα","","0.0825","0.0565","","","0.1465","0.1599","","","","","","0.939","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324379","5.6827","0.0011","17.03","0.003","12.229","0.003","90","","99.149","0.007","90","","1168.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N8 -","- C28 H22 N8 -","- C56 H44 N16 -","2","0.5","","Feng Li; Jack K. Clegg; David Price; Cameron J. Kepert","Self-Assembly of a Metallomacrocycle Templated by Iron(II)","Inorganic Chemistry","2011","50","","726","728","10.1021/ic102350t","","","0.71073","MoKα","","0.0634","0.0432","","","0.1057","0.1161","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324380","16.2973","0.0012","23.7869","0.0018","26.1147","0.0019","101.079","0.002","90.507","0.003","96.236","0.003","9871.6","1.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C87.25 H86.35 B5 F20 Fe N27.25 O11.8 -","- C87.25 H78.75 B5 F20 Fe N27.25 O7.5 -","- C349 H315 B20 F80 Fe4 N109 O30 -","4","2","","Feng Li; Jack K. Clegg; David Price; Cameron J. Kepert","Self-Assembly of a Metallomacrocycle Templated by Iron(II)","Inorganic Chemistry","2011","50","","726","728","10.1021/ic102350t","","","0.71073","MoKα","","0.1286","0.0955","","","0.2633","0.2908","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324381","28.038","0.003","22.37","0.002","30.391","0.004","90","","90","","90","","19062","4","150","2","150","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C86 H74 Ag3 Cl F24 Fe N24 O6 P4 -","- C86 H72 Ag3 Cl F24 Fe N24 O6 P4 -","- C688 H576 Ag24 Cl8 F192 Fe8 N192 O48 P32 -","8","1","","Feng Li; Jack K. Clegg; David Price; Cameron J. Kepert","Self-Assembly of a Metallomacrocycle Templated by Iron(II)","Inorganic Chemistry","2011","50","","726","728","10.1021/ic102350t","","","0.71073","MoKα","","0.2734","0.1484","","","0.3335","0.404","","","","","","1.031","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324382","11.57961","0.00003","11.57961","0.00003","3.6811","0.0001","90","","90","","120","","427.461","0.012","300","","300","","","","","","","","","3","P 6/m","-P 6","175","Magnesium imide","Magnesium imide","","- H Mg N -","- D Mg N -","- D12 Mg12 N12 -","12","1","","Francesco Dolci; Emilio Napolitano; Eveline Weidner; Stefano Enzo; Pietro Moretto; Michela Brunelli; Thomas Hansen; Maximilian Fichtner; Wiebke Lohstroh","Magnesium Imide: Synthesis and Structure Determination of an Unconventional Alkaline Earth Imide from Decomposition of Magnesium Amide","Inorganic Chemistry","2011","50","","1116","1122","10.1021/ic1023778","powder diffraction","neutron","1.868","neutron","","","","","","","","","0.017678","1.94","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324383","7.3153","0.0008","7.3153","0.0008","4.421","0.0005","90","","90","","120","","204.89","0.04","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Au Ge2 In3 Yb3 -","- Au Ge2 In3 Yb3 -","- Au Ge2 In3 Yb3 -","1","0.0833333","","Maria Chondroudi; Sebastian C. Peter; Christos D. Malliakas; Mali Balasubramanian; Qing'An Li; Mercouri G. Kanatzidis","Yb3AuGe2In3: An Ordered Variant of the YbAuIn Structure Exhibiting Mixed-Valent Yb Behavior","Inorganic Chemistry","2011","50","","1184","1193","10.1021/ic100975x","","","0.71073","MoKα","","0.0298","0.0298","","","0.0746","0.0746","","","","","","1.077","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324384","7.7127","0.0011","7.7127","0.0011","4.0294","0.0008","90","","90","","120","","207.58","0.06","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au3 In3 Yb3 -","- Au3 In3 Yb3 -","- Au3 In3 Yb3 -","1","0.0833333","","Maria Chondroudi; Sebastian C. Peter; Christos D. Malliakas; Mali Balasubramanian; Qing'An Li; Mercouri G. Kanatzidis","Yb3AuGe2In3: An Ordered Variant of the YbAuIn Structure Exhibiting Mixed-Valent Yb Behavior","Inorganic Chemistry","2011","50","","1184","1193","10.1021/ic100975x","","","0.71073","MoKα","","0.0432","0.0418","","","0.1039","0.1046","","","","","","1.192","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324385","18.865","0.003","10.8115","0.0017","28.32","0.004","90","","91.932","0.002","90","","5772.8","1.5","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C17 H38 Cl2 Co N O9 P3 Ru -","- C17 H8 Cl2 Co N O9 P3 Ru -","- C136 H64 Cl16 Co8 N8 O72 P24 Ru8 -","8","1","","Xiao-Yi Yi; Ho-Yuen Ng; Ian D. Williams; Wa-Hung Leung","Formation of a Dinuclear Imido Complex from the Reaction of a Ruthenium(VI) Nitride with a Ruthenium(II) Hydride","Inorganic Chemistry","2011","50","","1161","1163","10.1021/ic101520g","","","0.71073","MoKα","","0.0856","0.0673","","","0.17","0.1809","","","","","","1.039","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324386","16.3311","0.0011","23.7167","0.0017","18.3823","0.0012","90","","100.87","0.007","90","","6992.1","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H86 Cl2 Co2 N O19 P7 Ru2 -","- C53 H86 Cl2 Co2 N O19 P7 Ru2 -","- C212 H344 Cl8 Co8 N4 O76 P28 Ru8 -","4","1","","Xiao-Yi Yi; Ho-Yuen Ng; Ian D. Williams; Wa-Hung Leung","Formation of a Dinuclear Imido Complex from the Reaction of a Ruthenium(VI) Nitride with a Ruthenium(II) Hydride","Inorganic Chemistry","2011","50","","1161","1163","10.1021/ic101520g","","","1.54178","CuKα","","0.1377","0.0529","","","0.0773","0.0968","","","","","","1.013","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324387","8.8743","0.0007","9.7691","0.0008","19.5884","0.0016","78.249","0.001","83.525","0.001","75.916","0.001","1609","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H35 N7 O3 -","- C38 H35 N7 O3 -","- C76 H70 N14 O6 -","2","1","","Uday Chand Saha; Basab Chattopadhyay; Koushik Dhara; Sushil Kumar Mandal; Sandipan Sarkar; Anisur Rahman Khuda-Bukhsh; Monika Mukherjee; Madeleine Helliwell; Pabitra Chattopadhyay","A Highly Selective Fluorescent Chemosensor for Zinc Ion and Imaging Application in Living Cells","Inorganic Chemistry","2011","50","","1213","1219","10.1021/ic1015252","","","0.71073","MoKα","","0.0828","0.0639","","","0.1425","0.1501","","","","","","1.104","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324388","11.77","0.009","16.65","0.012","17.942","0.013","90","","91.306","0.008","90","","3515","4","150","","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H27.5 N8 O8.75 Zn2 -","- C35 H26 N8 O8.75 Zn2 -","- C140 H104 N32 O35 Zn8 -","4","1","","Uday Chand Saha; Basab Chattopadhyay; Koushik Dhara; Sushil Kumar Mandal; Sandipan Sarkar; Anisur Rahman Khuda-Bukhsh; Monika Mukherjee; Madeleine Helliwell; Pabitra Chattopadhyay","A Highly Selective Fluorescent Chemosensor for Zinc Ion and Imaging Application in Living Cells","Inorganic Chemistry","2011","50","","1213","1219","10.1021/ic1015252","","","0.6889","synchrotron","","0.1275","0.0885","","","0.182","0.2045","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324389","11.5585","0.0004","9.2","0.0003","35.814","0.0014","90","","90","","90","","3808.4","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 N6 O3 Re -","- C20 H13 N6 O3 Re -","- C160 H104 N48 O24 Re8 -","8","1","","Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni","Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes.","Inorganic Chemistry","2011","50","","1229","1241","10.1021/ic1015516","","","0.71073","MoKα","","0.175","0.0656","","","0.121","0.1593","","","","","","0.998","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324390","9.252","0.0003","9.3821","0.0003","12.9643","0.0004","96.86","0.002","105.448","0.003","110.008","0.003","991.29","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 N6 O3 Re -","- C22 H13 N6 O3 Re -","- C44 H26 N12 O6 Re2 -","2","1","","Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni","Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes.","Inorganic Chemistry","2011","50","","1229","1241","10.1021/ic1015516","","","0.71073","MoKα","","0.0461","0.037","","","0.0873","0.0901","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324391","8.0117","0.0002","8.1105","0.0003","31.1788","0.001","90","","94.702","0.002","90","","2019.15","0.11","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N6 O4 Re -","- C21 H13 N6 O4 Re -","- C84 H52 N24 O16 Re4 -","4","1","","Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni","Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes.","Inorganic Chemistry","2011","50","","1229","1241","10.1021/ic1015516","","","0.71073","MoKα","","0.0972","0.0862","","","0.1983","0.2036","","","","","","1.183","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324392","9.6886","0.0005","10.7874","0.0003","20.4181","0.0018","90","","95.615","0.007","90","","2123.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 N6 O4 Re -","- C23 H13 N6 O4 Re -","- C92 H52 N24 O16 Re4 -","4","1","","Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni","Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes.","Inorganic Chemistry","2011","50","","1229","1241","10.1021/ic1015516","","","0.71073","MoKα","","0.068","0.0304","","","0.0414","0.0445","","","","","","0.786","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324393","7.5265","0.0002","8.4382","0.0002","16.4431","0.0004","98.986","0.002","96.361","0.002","91.788","0.002","1023.88","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N6 O4 Re -","- C22 H15 N6 O4 Re -","- C44 H30 N12 O8 Re2 -","2","1","","Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni","Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes.","Inorganic Chemistry","2011","50","","1229","1241","10.1021/ic1015516","","","0.71073","MoKα","","0.0325","0.0253","","","0.0538","0.0546","","","","","","0.968","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324394","7.4626","0.0001","17.8403","0.0003","16.7636","0.0003","90","","99.457","0.002","90","","2201.49","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 O4 Re -","- C24 H15 N6 O4 Re -","- C96 H60 N24 O16 Re4 -","4","1","","Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni","Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes.","Inorganic Chemistry","2011","50","","1229","1241","10.1021/ic1015516","","","0.71073","MoKα","","0.0427","0.0236","","","0.0438","0.0461","","","","","","0.914","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324395","7.0089","0.0002","8.4369","0.0002","18.7123","0.0004","102.98","0.002","99.297","0.002","91.745","0.002","1061.52","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N6 O5 Re -","- C22 H15 N6 O5 Re -","- C44 H30 N12 O10 Re2 -","2","1","","Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni","Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes.","Inorganic Chemistry","2011","50","","1229","1241","10.1021/ic1015516","","","0.71073","MoKα","","0.0277","0.0193","","","0.0335","0.0342","","","","","","0.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324396","15.2843","0.0004","19.4828","0.0004","15.8578","0.0003","90","","102.071","0.003","90","","4617.74","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 N6 O5 Re -","- C24 H15 N6 O5 Re -","- C192 H120 N48 O40 Re8 -","8","2","","Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni","Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes.","Inorganic Chemistry","2011","50","","1229","1241","10.1021/ic1015516","","","0.71073","MoKα","","0.092","0.0406","","","0.0685","0.0743","","","","","","0.786","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324397","10.2966","0.0003","36.5438","0.0009","11.4905","0.0002","90","","90","","90","","4323.61","0.18","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(2-(4-(2-phenylethynyl)phenyl)ethynyl))-(1,1'-dipentyl-3,3'-methylene-diimidazoline-\\ 2,2'-diylidene)-platinum(II) dichloromethane solvate","","- C50 H48 Cl2 N4 Pt -","- C50 H48 Cl2 N4 Pt -","- C200 H192 Cl8 N16 Pt4 -","4","0.5","","Yuzhen Zhang; Jai Anand Garg; Clément Michelin; Thomas Fox; Olivier Blacque; Koushik Venkatesan","Synthesis and Luminescent Properties of cis Bis-N-Heterocyclic Carbene Platinum(II) Bis-Arylacetylide Complexes","Inorganic Chemistry","2011","50","","1220","1228","10.1021/ic101632v","","","0.71073","MoKα","","0.0887","0.0699","","","0.1625","0.167","","","","","","1.18","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324398","31.7153","0.0011","9.0519","0.0003","21.9061","0.0018","90","","102.644","0.005","90","","6136.4","0.6","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diiodo-(1,1'-dipentyl-3,3'-methylene-diimidazoline-2,2'-diylidene)-platinum(II) dichloromethane solvate","","- C39 H66 Cl10 I4 N8 Pt2 -","- C39 H66 Cl10 I4 N8 Pt2 -","- C156 H264 Cl40 I16 N32 Pt8 -","4","0.5","","Yuzhen Zhang; Jai Anand Garg; Clément Michelin; Thomas Fox; Olivier Blacque; Koushik Venkatesan","Synthesis and Luminescent Properties of cis Bis-N-Heterocyclic Carbene Platinum(II) Bis-Arylacetylide Complexes","Inorganic Chemistry","2011","50","","1220","1228","10.1021/ic101632v","","","0.71073","MoKα","","0.0571","0.0344","","","0.0713","0.0752","","","","","","0.983","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324399","14.7205","0.0002","20.6676","0.0002","15.2338","0.0002","90","","117.138","0.001","90","","4124.46","0.1","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3,4,5-trimethoxyphenylethynyl)-(1,1'-dipentyl-3,3'-methylene-diimidazoline-2,2'-diylidene)-platinum(II) dichloromethane solvate","","- C40 H52 Cl2 N4 O6 Pt -","- C40 H52 Cl2 N4 O6 Pt -","- C160 H208 Cl8 N16 O24 Pt4 -","4","1","","Yuzhen Zhang; Jai Anand Garg; Clément Michelin; Thomas Fox; Olivier Blacque; Koushik Venkatesan","Synthesis and Luminescent Properties of cis Bis-N-Heterocyclic Carbene Platinum(II) Bis-Arylacetylide Complexes","Inorganic Chemistry","2011","50","","1220","1228","10.1021/ic101632v","","","0.71073","MoKα","","0.0396","0.0253","","","0.0531","0.0545","","","","","","0.915","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324400","25.9714","0.0006","10.0221","0.0002","31.4262","0.0007","90","","90.715","0.002","90","","8179.2","0.3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-dimethylaminophenylethynyl)-(1,1'-dipentyl-3,3'-methylene-diimidazoline-2,2'-diylidene)-platinum(II) dichloromethane solvate","","- C77 H102 Cl6 N12 Pt2 -","- C77 H102 Cl6 N12 Pt2 -","- C308 H408 Cl24 N48 Pt8 -","4","0.5","","Yuzhen Zhang; Jai Anand Garg; Clément Michelin; Thomas Fox; Olivier Blacque; Koushik Venkatesan","Synthesis and Luminescent Properties of cis Bis-N-Heterocyclic Carbene Platinum(II) Bis-Arylacetylide Complexes","Inorganic Chemistry","2011","50","","1220","1228","10.1021/ic101632v","","","0.71073","MoKα","","0.1327","0.0764","","","0.1272","0.1417","","","","","","1.109","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324401","7.1769","0.0003","15.5957","0.0005","12.3167","0.0004","90","","104.269","0.002","90","","1336.06","0.08","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Au N6 -","- C10 H13 Au N6 -","- C40 H52 Au4 N24 -","4","1","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.1004","0.0267","","0.0819","0.0314","0.0301","","","","","","1.2789","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4324402","14.6965","0.0006","8.4684","0.0003","19.6174","0.0008","90","","105.485","0.002","90","","2352.87","0.16","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Au N5 -","- C20 H36 Au N5 -","- C80 H144 Au4 N20 -","4","1","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.0382","0.0293","","0.063","0.0368","0.0366","","","","","","1.1254","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324403","10.5193","0.0009","10.599","0.0009","12.7155","0.0011","96.057","0.004","103.596","0.004","106.681","0.004","1297","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 As Au N4 -","- C28 H20 As Au N4 -","- C56 H40 As2 Au2 N8 -","2","1","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.034","0.0232","","0.037","0.0296","0.0289","","","","","","0.677","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324404","16.7592","0.0005","14.644","0.0004","15.6117","0.0004","90","","103.183","0.001","90","","3730.48","0.18","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Au N5 P2 -","- C40 H30 Au N5 P2 -","- C160 H120 Au4 N20 P8 -","4","1","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.0706","0.0232","","0.051","0.0274","0.0259","","","","","","0.4607","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324405","11.2733","0.0003","11.3956","0.0003","16.4575","0.0004","78.646","0.001","79.206","0.001","83.83","0.001","2030.7","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H24 Au2 Co N14 -","- C44 H24 Au2 Co N14 -","- C88 H48 Au4 Co2 N28 -","2","1","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.0683","0.0331","","0.067","0.0405","0.0388","","","","","","0.5954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324406","12.925","0.003","13.158","0.004","13.497","0.004","76.64","0.03","62.548","0.018","84.31","0.03","1981.7","1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 Au2 Mn N14 -","- C38 H22 Au2 Mn N14 -","- C76 H44 Au4 Mn2 N28 -","2","1","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.0767","0.0442","","0.0661","0.0622","0.0616","","","","","","1.309","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324407","8.7523","0.0005","8.0191","0.0005","11.7635","0.0008","90","","94.729","0.003","90","","822.82","0.09","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 Au Cl2 Co N8 -","- C8 H16 Au Cl2 Co N8 -","- C16 H32 Au2 Cl4 Co2 N16 -","2","0.5","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.1512","0.1011","","0.1242","0.1072","0.1047","","","","","","1.0162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324408","13.865","0.002","12.345","0.002","16.213","0.003","90","","112.002","0.002","90","","2573","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Au2 N14 Ni -","- C14 H24 Au2 N14 Ni -","- C56 H96 Au8 N56 Ni4 -","4","1","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.0348","0.0246","","0.0306","0.0266","0.0265","","","","","","1.3864","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324409","7.4044","0.0001","18.9411","0.0003","21.4134","0.0003","90","","90","","90","","3003.18","0.08","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 Au3 Co N18 O4 -","- C12 H25 Au3 Co N18 O4 -","- C48 H100 Au12 Co4 N72 O16 -","4","1","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.0318","0.022","","0.0449","0.029","0.0283","","","","","","0.5187","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324410","11.9498","0.0011","9.762","0.0009","13.2618","0.0016","90","","118.581","0.001","90","","1358.5","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(μ~2~-(ferrocen-1,1'-diyl)-bis(ethoxy-methylidene)-C,C')- bis(η~5~-cyclopentadienyl-dicarbonyl-chromium)","","- C30 H28 Fe Mn2 O6 -","- C30 H28 Fe Mn2 O6 -","- C60 H56 Fe2 Mn4 O12 -","2","1","","Daniela I. Bezuidenhout; Simon Lotz; Marilé Landman; David C. Liles","Synthesis, Characterization, and Structural Studies of Multimetallic Ferrocenyl Carbene Complexes of Group VII Transition Metals","Inorganic Chemistry","2011","50","","1521","1533","10.1021/ic101784w","","","0.71073","MoKα","","0.0385","0.0318","","","0.0788","0.0841","","","","","","1.064","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324411","15.56","0.0014","16.0269","0.0014","16.5632","0.0014","98.175","0.001","91.337","0.001","90.1","0.001","4087.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ^2^-(1,1'-(bis(ethoxymethylidenyl)ferrocene)bis(nonacarbonyl-dirhenium)","","- C34 H18 Fe O20 Re4 -","- C34 H18 Fe O20 Re4 -","- C136 H72 Fe4 O80 Re16 -","4","2","","Daniela I. Bezuidenhout; Simon Lotz; Marilé Landman; David C. Liles","Synthesis, Characterization, and Structural Studies of Multimetallic Ferrocenyl Carbene Complexes of Group VII Transition Metals","Inorganic Chemistry","2011","50","","1521","1533","10.1021/ic101784w","","","0.71073","MoKα","","0.0995","0.0545","","","0.1265","0.1568","","","","","","0.997","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324412","10.7406","0.0007","12.1924","0.0008","18.4356","0.0012","90.906","0.001","94.732","0.001","95.665","0.001","2393.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(μ~2~-(1,1'-ferrocenyl)-bis((nonacarbonyl)-dirhenium-oxy-methylidene)-O,O')- bis(η^5^-cyclopentadienyl)-titanium dihydrate","","- C40 H22 Fe O22 Re4 Ti -","- C40 H18 Fe O22 Re4 Ti -","- C80 H36 Fe2 O44 Re8 Ti2 -","2","1","","Daniela I. Bezuidenhout; Simon Lotz; Marilé Landman; David C. Liles","Synthesis, Characterization, and Structural Studies of Multimetallic Ferrocenyl Carbene Complexes of Group VII Transition Metals","Inorganic Chemistry","2011","50","","1521","1533","10.1021/ic101784w","","","0.71073","MoKα","","0.0778","0.0503","","","0.1319","0.152","","","","","","1.025","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324413","22.267","0.0016","15.2017","0.0011","21.6438","0.0015","90","","100.186","0.001","90","","7210.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis[μ^2^-Chloro-(tricarbonyl)-(ethoxy-ferrocenyl-methylidene)-rhenium] hemi(dichloromethane) solvate","","- C32.5 H29 Cl3 Fe2 O8 Re2 -","- C32.5 H29 Cl3 Fe2 O8 Re2 -","- C260 H232 Cl24 Fe16 O64 Re16 -","8","1","","Daniela I. Bezuidenhout; Simon Lotz; Marilé Landman; David C. Liles","Synthesis, Characterization, and Structural Studies of Multimetallic Ferrocenyl Carbene Complexes of Group VII Transition Metals","Inorganic Chemistry","2011","50","","1521","1533","10.1021/ic101784w","","","0.71073","MoKα","","0.0386","0.0346","","","0.0885","0.0927","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324414","8.1679","0.0002","7.4189","0.0002","14.3586","0.0005","90","","92.592","0.001","90","","869.2","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 O8 S2 Sn2 -","- C8 H24 O8 S2 Sn2 -","- C16 H48 O16 S4 Sn4 -","2","0.5","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy","Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands","Inorganic Chemistry","2011","50","","1339","1350","10.1021/ic1018423","","","0.71073","MoKα","","0.0399","0.0298","","","0.0653","0.07","","","","","","1.077","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324415","7.5018","0.0003","8.3606","0.0003","8.9734","0.0003","76.613","0.002","88.689","0.002","86.033","0.001","546.19","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 O4 S Sn -","- C6 H16 O4 S Sn -","- C12 H32 O8 S2 Sn2 -","2","1","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy","Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands","Inorganic Chemistry","2011","50","","1339","1350","10.1021/ic1018423","","","0.71073","MoKα","","0.0482","0.034","","","0.069","0.0738","","","","","","1.068","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324416","14.4812","0.0002","14.9061","0.0002","18.8064","0.0002","90","","104.579","0.001","90","","3928.81","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H56 O12 P4 Sn3 -","- C22 H56 O12 P4 Sn3 -","- C88 H224 O48 P16 Sn12 -","4","1","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy","Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands","Inorganic Chemistry","2011","50","","1339","1350","10.1021/ic1018423","","","0.71073","MoKα","","0.0422","0.0292","","","0.0611","0.066","","","","","","1.089","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324417","13.3585","0.0001","15.4326","0.0002","17.3314","0.0002","90","","96.474","0.001","90","","3550.19","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H50 O13 P2 S2 Sn3 -","- C19 H50 O13 P2 S2 Sn3 -","- C76 H200 O52 P8 S8 Sn12 -","4","1","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy","Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands","Inorganic Chemistry","2011","50","","1339","1350","10.1021/ic1018423","","","0.71073","MoKα","","0.0568","0.0383","","","0.0853","0.0923","","","","","","1.108","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324418","10.6136","0.0001","10.6136","0.0001","28.7211","0.0001","90","","90","","90","","3235.39","0.04","150","2","150","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C16 H32 O16 P2 S2 Sn3 -","- C16 H32 O16 P2 S2 Sn3 -","- C64 H128 O64 P8 S8 Sn12 -","4","0.5","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy","Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands","Inorganic Chemistry","2011","50","","1339","1350","10.1021/ic1018423","","","0.71073","MoKα","","0.0556","0.0428","","","0.0942","0.0994","","","","","","1.07","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324419","5.3471","0.0003","35.9423","0.0011","8.7245","0.0004","90","","106.483","0.002","90","","1607.83","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H21 O8 P S Sn -","- C9 H21 O8 P S Sn -","- C36 H84 O32 P4 S4 Sn4 -","4","2","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy","Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands","Inorganic Chemistry","2011","50","","1339","1350","10.1021/ic1018423","","","0.71073","MoKα","","0.0572","0.0453","","","0.1009","0.107","","","","","","1.042","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324420","31.4648","0.0006","9.9269","0.0002","16.5748","0.0004","90","","120.452","0.001","90","","4462.94","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H31 O8 P S Sn -","- C14 H31 O8 P S Sn -","- C112 H248 O64 P8 S8 Sn8 -","8","1","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy","Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands","Inorganic Chemistry","2011","50","","1339","1350","10.1021/ic1018423","","","0.71073","MoKα","","0.0374","0.03","","","0.0694","0.074","","","","","","1.088","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324421","14.3202","0.001","26.7358","0.0018","14.9334","0.001","90","","90","","90","","5717.4","0.7","186","2","186","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H63 Cl Dy2 N6 Ni2 O25 S2 -","- C44 H60 Cl Dy2 N6 Ni2 O25 S2 -","- C176 H240 Cl4 Dy8 N24 Ni8 O100 S8 -","4","1","","Yajie Gao; Lang Zhao; Xuebin Xu; Gong-Feng Xu; Yun-Nan Guo; Jinkui Tang; Zhiliang Liu","Heterometallic Cubanes: Syntheses, Structures, and Magnetic Properties of Lanthanide(III)-Nickel(II) Architectures","Inorganic Chemistry","2011","50","","1304","1308","10.1021/ic101849h","","","0.71073","MoKα","","0.0368","0.0331","","","0.0817","0.0834","","","","","","1.046","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324422","14.38","0.0006","26.6616","0.0011","14.9053","0.0006","90","","90","","90","","5714.6","0.4","186","2","186","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H63 Cl N6 Ni2 O25 S2 Tb2 -","- C44 H63 Cl N6 Ni2 O25 S2 Tb2 -","- C176 H252 Cl4 N24 Ni8 O100 S8 Tb8 -","4","1","","Yajie Gao; Lang Zhao; Xuebin Xu; Gong-Feng Xu; Yun-Nan Guo; Jinkui Tang; Zhiliang Liu","Heterometallic Cubanes: Syntheses, Structures, and Magnetic Properties of Lanthanide(III)-Nickel(II) Architectures","Inorganic Chemistry","2011","50","","1304","1308","10.1021/ic101849h","","","0.71073","MoKα","","0.0434","0.034","","","0.0725","0.0868","","","","","","1.073","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324423","14.3637","0.0008","26.6503","0.0015","14.9105","0.0008","90","","90","","90","","5707.7","0.5","191","2","191","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H63 Cl Gd2 N6 Ni2 O25 S2 -","- C44 H62 Cl Gd2 N6 Ni2 O25 S2 -","- C176 H248 Cl4 Gd8 N24 Ni8 O100 S8 -","4","1","","Yajie Gao; Lang Zhao; Xuebin Xu; Gong-Feng Xu; Yun-Nan Guo; Jinkui Tang; Zhiliang Liu","Heterometallic Cubanes: Syntheses, Structures, and Magnetic Properties of Lanthanide(III)-Nickel(II) Architectures","Inorganic Chemistry","2011","50","","1304","1308","10.1021/ic101849h","","","0.71073","MoKα","","0.0353","0.0302","","","0.0696","0.0781","","","","","","1.04","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324424","9.679","0.004","9.679","0.004","15.448","0.008","90","","90","","90","","1447.2","1.1","213","2","213","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H40 Cl2 N12 Re2 -","- C24 H40 Cl2 N12 Re2 -","- C48 H80 Cl4 N24 Re4 -","2","0.125","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young","Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions","Inorganic Chemistry","2011","50","","1258","1264","10.1021/ic101890p","","","0.71073","MoKα","","0.0714","0.0599","","","0.1435","0.1482","","","","","","1.915","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324425","9.015","0.006","15.094","0.009","15.296","0.007","90","","119.56","0.03","90","","1810.5","1.9","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 F6 N12 O6 Re2 S2 -","- C26 H40 F6 N12 O6 Re2 S2 -","- C52 H80 F12 N24 O12 Re4 S4 -","2","0.5","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young","Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions","Inorganic Chemistry","2011","50","","1258","1264","10.1021/ic101890p","","","0.71073","MoKα","","0.0967","0.0483","","","0.0933","0.105","","","","","","0.848","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324426","8.977","0.003","8.977","0.003","15.36","0.006","90","","90","","90","","1237.8","0.8","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C20 H32 Cl2 N12 Re2 -","- C20 H32 Cl2 N12 Re2 -","- C40 H64 Cl4 N24 Re4 -","2","0.125","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young","Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions","Inorganic Chemistry","2011","50","","1258","1264","10.1021/ic101890p","","","0.71073","MoKα","","0.0346","0.0244","","","0.0528","0.0607","","","","","","1.285","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324427","8.637","0.004","15.902","0.007","14.255","0.005","90","","119.5","0.02","90","","1704","1.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 F6 N12 O6 Re2 S2 -","- C22 H32 F6 N12 O6 Re2 S2 -","- C44 H64 F12 N24 O12 Re4 S4 -","2","0.5","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young","Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions","Inorganic Chemistry","2011","50","","1258","1264","10.1021/ic101890p","","","0.71073","MoKα","","0.0903","0.0823","","","0.1767","0.1784","","","","","","1.785","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324428","12.0948","0.0008","13.6017","0.0007","15.2096","0.0008","90","","100.467","0.002","90","","2460.5","0.2","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H44 Cl2 I3 N4 P2 Rh -","- C50 H44 Cl2 I3 N4 P2 Rh -","- C100 H88 Cl4 I6 N8 P4 Rh2 -","2","0.5","","Sarat Chandra Patra; Manas Kumar Biswas; Amarendra Nath Maity; Prasanta Ghosh","Osazone Anion Radical Complex of Rhodium(III)","Inorganic Chemistry","2011","50","","1331","1338","10.1021/ic101945d","","","0.71073","MoKα","","0.0935","0.0663","","","0.1743","0.2048","","","","","","1.137","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324429","8.3212","0.0003","12.8894","0.0008","9.5294","0.0003","90","","100.849","0.002","90","","1003.81","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl2 P Pt Se -","- C20 H19 Cl2 P Pt Se -","- C40 H38 Cl4 P2 Pt2 Se2 -","2","1","","Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin","Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands","Inorganic Chemistry","2011","50","","1411","1419","10.1021/ic101973s","","","1.54178","CuKα","","0.0329","0.0328","","","0.0804","0.0805","","","","","","1.066","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324430","14.1323","0.0002","14.2531","0.0002","19.8957","0.0003","90","","90","","90","","4007.57","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H19 Cl4 P Pt Se -","- C16 H19 Cl4 P Pt Se -","- C128 H152 Cl32 P8 Pt8 Se8 -","8","1","","Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin","Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands","Inorganic Chemistry","2011","50","","1411","1419","10.1021/ic101973s","","","0.71073","MoKα","","0.0439","0.0379","","","0.0993","0.1026","","","","","","1.078","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324431","10.4496","0.0001","13.2431","0.0001","16.3422","0.0002","113.492","0.001","103.495","0.001","94.164","0.001","1981.72","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cl2 P Pt S -","- C20 H19 Cl2 P Pt S -","- C80 H76 Cl8 P4 Pt4 S4 -","4","2","","Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin","Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands","Inorganic Chemistry","2011","50","","1411","1419","10.1021/ic101973s","","","0.71073","MoKα","","0.025","0.0209","","","0.051","0.0519","","","","","","1.012","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324432","10.9833","0.0002","13.5934","0.0002","14.1632","0.0002","87.653","0.001","86.396","0.001","66.971","0.001","1941.9","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl2 P Pt S -","- C15 H17 Cl2 P Pt S -","- C60 H68 Cl8 P4 Pt4 S4 -","4","2","","Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin","Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands","Inorganic Chemistry","2011","50","","1411","1419","10.1021/ic101973s","","","0.71073","MoKα","","0.0586","0.0425","","","0.114","0.1215","","","","","","1.162","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324433","17.7725","0.001","17.3394","0.0009","25.2406","0.0014","90","","100.322","0.004","90","","7652.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl2 F8 P2 Pt S2 -","- C40 H30 Cl2 F8 P2 Pt S2 -","- C320 H240 Cl16 F64 P16 Pt8 S16 -","8","2","","Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin","Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands","Inorganic Chemistry","2011","50","","1411","1419","10.1021/ic101973s","","","1.54178","CuKα","","0.1302","0.0799","","","0.1811","0.2062","","","","","","1.104","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324434","9.3776","0.0002","12.0512","0.0002","15.576","0.0002","101.421","0.001","97.845","0.001","95.902","0.001","1693.91","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl5 P2 Pt Se -","- C30 H34 Cl5 P2 Pt Se -","- C60 H68 Cl10 P4 Pt2 Se2 -","2","1","","Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin","Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands","Inorganic Chemistry","2011","50","","1411","1419","10.1021/ic101973s","","","0.71073","MoKα","","0.0613","0.0368","","","0.0797","0.1051","","","","","","1.033","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324435","9.3837","0.0003","12.2736","0.0004","15.4526","0.0005","101.517","0.002","97.069","0.002","96.763","0.002","1711.98","0.1","106","2","106","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 Cl6 P2 Pt S -","- C31 H36 Cl6 P2 Pt S -","- C62 H72 Cl12 P4 Pt2 S2 -","2","1","","Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin","Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands","Inorganic Chemistry","2011","50","","1411","1419","10.1021/ic101973s","","","0.71073","MoKα","","0.1473","0.0739","","","0.153","0.1958","","","","","","1.101","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324436","20.5332","0.001","18.2249","0.0009","24.15","0.0012","90","","90","","90","","9037.3","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","copperphosphonate","","","- C43 H52 Cu4 N4 O12 P -","- C43 H52 Cu4 N4 O12 P -","- C344 H416 Cu32 N32 O96 P8 -","8","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; E. Carolina Sañudo","Rational Assembly of Soluble Copper(II) Phosphonates: Synthesis, Structure and Magnetism of Molecular Tetranuclear Copper(II) Phosphonates","Inorganic Chemistry","2011","50","","1420","1428","10.1021/ic101982c","","","0.71073","MoKα","","0.0819","0.0564","","","0.1306","0.1432","","","","","","1.035","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324437","13.841","0.002","33.287","0.005","10.5773","0.0016","90","","107.414","0.003","90","","4649.9","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Copperphosphonate","","","- C43 H35 Cu4 N5 O14 P -","- C43 H35 Cu4 N5 O14 P -","- C172 H140 Cu16 N20 O56 P4 -","4","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; E. Carolina Sañudo","Rational Assembly of Soluble Copper(II) Phosphonates: Synthesis, Structure and Magnetism of Molecular Tetranuclear Copper(II) Phosphonates","Inorganic Chemistry","2011","50","","1420","1428","10.1021/ic101982c","","","0.71073","MoKα","","0.1197","0.063","","","0.1523","0.1997","","","","","","1.038","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324438","11.927","0.005","14.305","0.005","16.632","0.005","74.943","0.005","75.092","0.005","68.735","0.005","2511.4","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","copperphosphonate","","","- C49 H63 Cu4 N4 O11 P -","- C49 H63 Cu4 N4 O11 P -","- C98 H126 Cu8 N8 O22 P2 -","2","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; E. Carolina Sañudo","Rational Assembly of Soluble Copper(II) Phosphonates: Synthesis, Structure and Magnetism of Molecular Tetranuclear Copper(II) Phosphonates","Inorganic Chemistry","2011","50","","1420","1428","10.1021/ic101982c","","","0.71069","MoKα","","0.1562","0.0915","","","0.2194","0.2674","","","","","","1.025","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324439","13.168","0.005","14.028","0.005","16.709","0.005","75.594","0.005","76.835","0.005","67.154","0.005","2725","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","copperphosphonate","","","- C52 H71 Cu4 N4 O15 P -","- C52 H71 Cu4 N4 O15 P -","- C104 H142 Cu8 N8 O30 P2 -","2","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; E. Carolina Sañudo","Rational Assembly of Soluble Copper(II) Phosphonates: Synthesis, Structure and Magnetism of Molecular Tetranuclear Copper(II) Phosphonates","Inorganic Chemistry","2011","50","","1420","1428","10.1021/ic101982c","","","0.71069","MoKα","","0.1227","0.084","","","0.2291","0.2682","","","","","","1.04","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324440","15.806","0.005","16.854","0.005","17.237","0.005","68.379","0.005","86.815","0.005","64.47","0.005","3823","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","copperphosphonate","","","- C79 H99 Cu4 N4 O11 P2 -","- C79 H99 Cu4 N4 O11 P2 -","- C158 H198 Cu8 N8 O22 P4 -","2","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; E. Carolina Sañudo","Rational Assembly of Soluble Copper(II) Phosphonates: Synthesis, Structure and Magnetism of Molecular Tetranuclear Copper(II) Phosphonates","Inorganic Chemistry","2011","50","","1420","1428","10.1021/ic101982c","","","0.71069","MoKα","","0.0807","0.0567","","","0.1343","0.1532","","","","","","1.026","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324441","3.6562","0.0003","8.1552","0.0008","13.9458","0.0011","90","","95.919","0.008","90","","413.61","0.06","200","2","200","","","","","","","","","4","P 1 21 1","P 2yb","4","guanidinium 2-methyl-5-nitriminotetrazolate","guanidinium 2-methyl-5-nitriminotetrazolate","","- C3 H9 N9 O2 -","- C3 H9 N9 O2 -","- C6 H18 N18 O4 -","2","1","","Tobias Fendt; Thomas M. Klapötke","N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities","Inorganic Chemistry","2011","50","","1447","1458","10.1021/ic1019923","","","0.71073","MoKα","","0.0547","0.0371","","","0.0726","0.0767","","","","","","0.915","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324442","6.917","0.0004","7.5831","0.0005","11.0147","0.0007","97.315","0.005","106.03","0.005","104.979","0.005","523.99","0.06","173","2","173","","","","","","","","","4","P -1","-P 1","2","triaminoguanidinium 2-methyl-5-nitriminotetrazolate","1,3,5-triaminoguanidinium 2-methyl-5-nitriminotetrazolate","","- C3 H12 N12 O2 -","- C3 H12 N12 O2 -","- C6 H24 N24 O4 -","2","1","","Tobias Fendt; Niko Fischer; Thomas M. Klapötke; Jörg Stierstorfer","N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities","Inorganic Chemistry","2011","50","","1447","1458","10.1021/ic1019923","","","0.71073","MoKα","","0.0372","0.0289","","","0.0749","0.0773","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324443","7.5867","0.0005","7.3684","0.0007","15.3282","0.0009","90","","95.764","0.006","90","","852.54","0.11","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-methyl-5-nitraminotetrazole urea","2-methyl-5-nitraminotetrazole urea","","- C3 H8 N8 O3 -","- C3 H8 N8 O3 -","- C12 H32 N32 O12 -","4","1","","Tobias Fendt; Niko Fischer; Thomas M. Klapötke; Jörg Stierstorfer","N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities","Inorganic Chemistry","2011","50","","1447","1458","10.1021/ic1019923","","","0.71073","MoKα","","0.0622","0.0375","","","0.0799","0.0856","","","","","","0.881","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324444","3.7828","0.0004","8.5095","0.0008","14.1651","0.0014","91.281","0.008","95.299","0.008","96.743","0.008","450.63","0.08","173","2","173","","","","","","","","","4","P -1","-P 1","2","aminoguanidinium 2-methyl-5-nitriminotetrazolate","aminoguanidinium 2-methyl-5-nitriminotetrazolate","","- C3 H10 N10 O2 -","- C3 H10 N10 O2 -","- C6 H20 N20 O4 -","2","1","","Tobias Fendt; Niko Fischer; Thomas M. Klapötke; Jörg Stierstorfer","N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities","Inorganic Chemistry","2011","50","","1447","1458","10.1021/ic1019923","","","0.71073","MoKα","","0.0581","0.032","","","0.0668","0.071","","","","","","0.828","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324445","17.4021","0.0014","8.3403","0.0007","14.7111","0.0013","90","","111.581","0.009","90","","1985.5","0.3","173","2","173","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","diaminoguanidinium 2-methyl-5-nitriminotetrazolate","diaminoguanidinium 2-methyl-5-nitriminotetrazolate","","- C3 H11 N11 O2 -","- C3 H11 N11 O2 -","- C12 H44 N44 O8 -","4","1","","Tobias Fendt; Niko Fischer; Thomas M. Klapötke; Jörg Stierstorfer","N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities","Inorganic Chemistry","2011","50","","1447","1458","10.1021/ic1019923","","","0.71073","MoKα","","0.0495","0.0328","","","0.0722","0.0759","","","","","","0.902","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324446","4.1035","0.0003","27.597","0.003","8.1745","0.0005","90","","103.105","0.007","90","","901.61","0.13","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diaminouronium 2-methyl-5-nitriminotetrazolate","diaminouronium 2-methyl-5-nitriminotetrazolate","","- C3 H10 N10 O3 -","- C3 H10 N10 O3 -","- C12 H40 N40 O12 -","4","1","","Tobias Fendt; Niko Fischer; Thomas M. Klapötke; Jörg Stierstorfer","N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities","Inorganic Chemistry","2011","50","","1447","1458","10.1021/ic1019923","","","0.71073","MoKα","","0.0693","0.0539","","","0.1352","0.1419","","","","","","1.108","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324447","15.892","0.006","24.148","0.009","12.262","0.005","90","","91.982","0.005","90","","4703","3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H152 K Lu2 N6 O10 Si8 -","- C64 H152 K Lu2 N6 O10 Si8 -","- C128 H304 K2 Lu4 N12 O20 Si16 -","2","0.5","","Ming Fang; Jefferson E. Bates; Sara E. Lorenz; David S. Lee; Daniel B. Rego; Joseph W. Ziller; Filipp Furche; William J. Evans","(N2)3- Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2- and (N2)3- Complexes and Density Functional Theory Comparisons of Closed Shell Sc3+, Y3+, and Lu3+ versus 4f9 Dy3+","Inorganic Chemistry","2011","50","","1459","1469","10.1021/ic102016k","","","0.71073","MoKα","","0.0524","0.0445","","","0.125","0.1323","","","","","","1.028","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324448","12.86","0.003","19.633","0.005","16.079","0.004","90","","91.962","0.004","90","","4057.3","1.7","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H136 N6 Na O8 Si8 Y2 -","- C56 H136 N6 Na O8 Si8 Y2 -","- C112 H272 N12 Na2 O16 Si16 Y4 -","2","0.5","","Ming Fang; Jefferson E. Bates; Sara E. Lorenz; David S. Lee; Daniel B. Rego; Joseph W. Ziller; Filipp Furche; William J. Evans","(N2)3- Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2- and (N2)3- Complexes and Density Functional Theory Comparisons of Closed Shell Sc3+, Y3+, and Lu3+ versus 4f9 Dy3+","Inorganic Chemistry","2011","50","","1459","1469","10.1021/ic102016k","","","0.71073","MoKα","","0.0823","0.0519","","","0.1323","0.1514","","","","","","1.041","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324449","12.834","0.002","19.587","0.003","16.106","0.003","90","","92.12","0.002","90","","4045.9","1.2","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H136 Er2 N6 Na O8 Si8 -","- C56 H136 Er2 N6 Na O8 Si8 -","- C112 H272 Er4 N12 Na2 O16 Si16 -","2","0.5","","Ming Fang; Jefferson E. Bates; Sara E. Lorenz; David S. Lee; Daniel B. Rego; Joseph W. Ziller; Filipp Furche; William J. Evans","(N2)3- Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2- and (N2)3- Complexes and Density Functional Theory Comparisons of Closed Shell Sc3+, Y3+, and Lu3+ versus 4f9 Dy3+","Inorganic Chemistry","2011","50","","1459","1469","10.1021/ic102016k","","","0.71073","MoKα","","0.0289","0.0225","","","0.0571","0.0614","","","","","","1.099","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324450","10.4483","0.0007","13.7447","0.0009","16.9943","0.0011","70.4402","0.0008","77.3142","0.0008","70.84","0.0008","2155.7","0.2","148","2","148","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 K N6 O12 Si8 Y2 -","- C60 H144 K N6 O12 Si8 Y2 -","- C60 H144 K N6 O12 Si8 Y2 -","1","0.5","","Ming Fang; Jefferson E. Bates; Sara E. Lorenz; David S. Lee; Daniel B. Rego; Joseph W. Ziller; Filipp Furche; William J. Evans","(N2)3- Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2- and (N2)3- Complexes and Density Functional Theory Comparisons of Closed Shell Sc3+, Y3+, and Lu3+ versus 4f9 Dy3+","Inorganic Chemistry","2011","50","","1459","1469","10.1021/ic102016k","","","0.71073","MoKα","","0.0413","0.0321","","","0.079","0.0828","","","","","","1.032","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324451","12.0874","0.0005","30.8857","0.0012","15.7704","0.0006","90","","98.4181","0.0005","90","","5824.1","0.4","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H93 K N3 O7 Si6 Y -","- C41 H93 K N3 O7 Si6 Y -","- C164 H372 K4 N12 O28 Si24 Y4 -","4","1","","Ming Fang; Jefferson E. Bates; Sara E. Lorenz; David S. Lee; Daniel B. Rego; Joseph W. Ziller; Filipp Furche; William J. Evans","(N2)3- Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2- and (N2)3- Complexes and Density Functional Theory Comparisons of Closed Shell Sc3+, Y3+, and Lu3+ versus 4f9 Dy3+","Inorganic Chemistry","2011","50","","1459","1469","10.1021/ic102016k","","","0.71073","MoKα","","0.0393","0.0293","","","0.0702","0.0739","","","","","","1.025","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324452","11.018","0.002","12.824","0.002","23.756","0.004","90","","90","","90","","3356.6","1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 B Cl2 P -","- C15 H24 B Cl2 P -","- C120 H192 B8 Cl16 P8 -","8","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0551","0.0353","","","0.106","0.1228","","","","","","0.839","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324453","11.6783","0.0009","14.2236","0.001","14.0628","0.0009","90","","93.38","0.002","90","","2331.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 B P -","- C27 H34 B P -","- C108 H136 B4 P4 -","4","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0825","0.0481","","","0.1079","0.1238","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324454","10.0869","0.0006","16.8594","0.001","24.3705","0.0015","90","","90","","90","","4144.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H38 B P -","- C23 H38 B P -","- C184 H304 B8 P8 -","8","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0654","0.0521","","","0.1615","0.1738","","","","","","1.29","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324455","17.555","0.003","16.044","0.002","8.7532","0.0011","90","","90.784","0.009","90","","2465.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H46 B P -","- C27 H46 B P -","- C108 H184 B4 P4 -","4","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.1657","0.1127","","","0.302","0.317","","","","","","1.651","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324456","9.4512","0.0004","9.7356","0.0004","14.8664","0.0006","104.577","0.002","90.362","0.002","99.947","0.002","1302.19","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F10 P -","- C27 H24 B F10 P -","- C54 H48 B2 F20 P2 -","2","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.1156","0.0486","","","0.1299","0.1696","","","","","","0.878","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324457","20.685","0.0006","14.1854","0.0004","23.3812","0.0008","90","","90","","90","","6860.6","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 B Cl2 N -","- C10 H14 B Cl2 N -","- C240 H336 B24 Cl48 N24 -","24","3","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0523","0.0373","","","0.0908","0.099","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324458","10.1559","0.0005","16.5857","0.0008","10.8949","0.0006","90","","106.383","0.002","90","","1760.65","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 B N -","- C22 H24 B N -","- C88 H96 B4 N4 -","4","2","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0548","0.046","","","0.1114","0.1166","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324459","8.5311","0.0005","17.7333","0.0011","13.3028","0.0008","90","","105.658","0.003","90","","1937.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 B N -","- C22 H36 B N -","- C88 H144 B4 N4 -","4","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0717","0.0463","","","0.1069","0.1186","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324460","12.6394","0.0004","19.7683","0.0007","15.9329","0.0005","90","","91.982","0.002","90","","3978.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 B F10 N -","- C22 H14 B F10 N -","- C176 H112 B8 F80 N8 -","8","2","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.046","0.0285","","","0.0473","0.0508","","","","","","0.89","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324461","9.6978","0.0005","7.7722","0.0004","22.4589","0.0013","90","","93.38","0.003","90","","1689.86","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B N -","- C19 H26 B N -","- C76 H104 B4 N4 -","4","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0945","0.0688","","","0.1899","0.2103","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324462","10.7842","0.0005","15.395","0.0006","17.7979","0.0008","90","","90","","90","","2954.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 B P -","- C33 H46 B P -","- C132 H184 B4 P4 -","4","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0806","0.0512","","","0.1442","0.1823","","","","","","0.694","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324463","8.477","0.0004","18.3487","0.0009","11.5037","0.0005","90","","102.741","0.002","90","","1745.25","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 B N O -","- C19 H26 B N O -","- C76 H104 B4 N4 O4 -","4","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.077","0.054","","","0.1471","0.1603","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324464","9.9638","0.0018","18.45","0.003","18.082","0.003","90","","90","","90","","3324.1","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Mg-Formate-1","","","- C14 H12 Mg6 N O24 -","- C14 H12 Mg6 N O24 -","- C56 H48 Mg24 N4 O96 -","4","0.5","","Arijit Mallick; Subhadeep Saha; Pradip Pachfule; Sudip Roy; Rahul Banerjee","Structure and Gas Sorption Behavior of a New Three Dimensional Porous Magnesium Formate","Inorganic Chemistry","2011","50","","1392","1401","10.1021/ic102057p","","","0.71073","MoKα","","0.1337","0.0687","","","0.1257","0.1567","","","","","","0.937","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324465","34.2541","0.0015","9.8188","0.0007","16.7885","0.0012","90","","90","","90","","5646.5","0.6","293","2","293","2","","","","","","","synthesis as described","9","P n m a","-P 2ac 2n","62","","","","- C29 H82 Cl2 Co Fe N14 O22 Rh S2 -","- C29 H54 Cl2 Co Fe N14 O22 Rh S2 -","- C116 H216 Cl8 Co4 Fe4 N56 O88 Rh4 S8 -","4","0.5","","Paul V. Bernhardt; Manuel Martínez; Carlos Rodríguez; Marta Vazquez","Discrete RhIII/FeII and RhIII/FeII/CoIII Cyanide-Bridged Mixed Valence Compounds","Inorganic Chemistry","2011","50","","1429","1440","10.1021/ic102061s","","x-ray","1.54184","CuKα","","0.1089","0.0633","","","0.1618","0.1796","","","","","","0.894","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324466","18.909","0.001","17.485","0.001","6.732","0.001","90","","98.397","0.001","90","","2201.9","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F17 N O3 P -","- C15 H11 F17 N O3 P -","- C60 H44 F68 N4 O12 P4 -","4","1","","Adil I. Hosein; Xavier F. Le Goff; Louis Ricard; Andrew J. M. Caffyn","Reaction of Perfluoroalkyl Grignard Reagents with Phosphorus Trihalides: A New Route to Perfluoroalkyl-phosphonous and -phosphonic Acids","Inorganic Chemistry","2011","50","","1484","1490","10.1021/ic102063e","","","0.71069","MoKα","","0.0894","0.0469","","","0.1251","0.1434","","","","","","0.97","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324467","12.922","0.001","21.573","0.001","6.666","0.001","90","","91.285","0.001","90","","1857.8","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 F5 N2 O3 P -","- C16 H20 F5 N2 O3 P -","- C64 H80 F20 N8 O12 P4 -","4","1","","Adil I. Hosein; Xavier F. Le Goff; Louis Ricard; Andrew J. M. Caffyn","Reaction of Perfluoroalkyl Grignard Reagents with Phosphorus Trihalides: A New Route to Perfluoroalkyl-phosphonous and -phosphonic Acids","Inorganic Chemistry","2011","50","","1484","1490","10.1021/ic102063e","","","0.71069","MoKα","","0.0511","0.0384","","","0.1078","0.1153","","","","","","1.066","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324468","13.181","0.003","23.307","0.005","25.698","0.005","107.76","0.03","102.02","0.03","98.37","0.03","7166","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120.79 H121.37 Cl5.02 N6.79 O36.16 Ru6 -","- C120.79 H116.37 Cl5.02 N6.79 O36.14 Ru6 -","- C241.58 H232.74 Cl10.04 N13.58 O72.28 Ru12 -","2","1","","Ming Wang; Vaishali Vajpayee; Sankarasekaran Shanmugaraju; Yao-Rong Zheng; Zhigang Zhao; Hyunuk Kim; Partha Sarathi Mukherjee; Ki-Whan Chi; Peter J. Stang","Coordination-Driven Self-Assembly of M3L2 trigonal Cages from Preorganized Metalloligands Incorporating Octahedral Metal Centers and Fluorescent Detection of Nitroaromatics","Inorganic Chemistry","2011","50","","1506","1512","10.1021/ic1020719","","","0.9","synchrotron","","0.1085","0.0904","","","0.2681","0.2847","","","","","","1.163","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324469","9.9777","0.0005","17.5299","0.0009","16.9668","0.0008","90","","106.725","0.0005","90","","2842.1","0.2","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Bi N4 -","- C27 H43 Bi N4 -","- C108 H172 Bi4 N16 -","4","1","","Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans","Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation","Inorganic Chemistry","2011","50","","1513","1520","10.1021/ic102119y","","","0.71073","MoKα","","0.0222","0.0182","","","0.043","0.0445","","","","","","1.034","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324470","16.5591","0.0009","10.7987","0.0006","16.9911","0.0009","90","","94.578","0.0007","90","","3028.6","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Bi N4 O -","- C28 H47 Bi N4 O -","- C112 H188 Bi4 N16 O4 -","4","1","","Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans","Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation","Inorganic Chemistry","2011","50","","1513","1520","10.1021/ic102119y","","","0.71073","MoKα","","0.018","0.015","","","0.0344","0.0354","","","","","","1.02","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324471","9.5132","0.0005","14.5142","0.0008","25.4014","0.0013","90","","91.4692","0.0006","90","","3506.2","0.3","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H54 Bi N4 O -","- C35 H54 Bi N4 O -","- C140 H216 Bi4 N16 O4 -","4","1","","Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans","Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation","Inorganic Chemistry","2011","50","","1513","1520","10.1021/ic102119y","","","0.71073","MoKα","","0.0225","0.0183","","","0.0431","0.0446","","","","","","1.018","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324472","15.9493","0.0009","13.0162","0.0007","20.7895","0.0011","90","","101.126","0.0007","90","","4234.8","0.4","148","2","148","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 B Bi N4 -","- C48 H58 B Bi N4 -","- C192 H232 B4 Bi4 N16 -","4","1","","Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans","Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation","Inorganic Chemistry","2011","50","","1513","1520","10.1021/ic102119y","","","0.71073","MoKα","","0.029","0.0208","","","0.0496","0.0528","","","","","","1.029","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324473","9.6863","0.0006","10.5364","0.0006","18.3169","0.0011","92.3499","0.0007","97.9458","0.0007","99.2711","0.0006","1823.43","0.19","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H59 Bi N4 O -","- C38 H59 Bi N4 O -","- C76 H118 Bi2 N8 O2 -","2","1","","Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans","Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation","Inorganic Chemistry","2011","50","","1513","1520","10.1021/ic102119y","","","0.71073","MoKα","","0.0335","0.0289","","","0.0686","0.0706","","","","","","1.056","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324474","25.5272","0.0005","21.9314","0.0005","30.2981","0.0006","90","","113.899","0.001","90","","15508","0.6","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","7","C 1 2/c 1","-C 2yc","15","","","","- C148 H210 Fe9 N10 O8 S6 Si4 -","- C148 H210 Fe9 N10 O8 S6 Si4 -","- C592 H840 Fe36 N40 O32 S24 Si16 -","4","0.5","","Michael J. Zdilla; Atul K. Verma; Sonny C. Lee","Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes","Inorganic Chemistry","2011","50","","1551","1562","10.1021/ic1021627","","","0.71073","MoKα","","0.1151","0.0686","","0.1686","0.1466","","","","1.033","1.123","1.123","","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324475","10.4231","0.0003","10.9167","0.0005","12.8489","0.0005","66.488","0.002","69.768","0.002","85.21","0.002","1255.4","0.09","200","2","200","2","","","","","","","Chemical Synthesis, S. C. Lee Lab","7","P -1","-P 1","2","Fe2(SMes)2(N{SiMe3}2)2(THF)2","","","- C38 H74 Fe2 N2 O2 S2 Si4 -","- C38 H74 Fe2 N2 O2 S2 Si4 -","- C38 H74 Fe2 N2 O2 S2 Si4 -","1","0.5","","Michael J. Zdilla; Atul K. Verma; Sonny C. Lee","Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes","Inorganic Chemistry","2011","50","","1551","1562","10.1021/ic1021627","","","0.71073","MoKα","","0.0683","0.0414","","0.1192","0.1033","","","","1.026","1.063","1.063","","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324476","15.2729","0.0007","18.6174","0.0007","23.6395","0.001","105.992","0.002","96.73","0.002","93.088","0.002","6390.9","0.5","170","2","170","2","","","","","","","Chemical Synthesis, S. C. Lee Lab","5","P -1","-P 1","2","Fe4(NPh)4(SMes)4","","","- C69 H73 Fe4 N4 S4 -","- C69 H73 Fe4 N4 S4 -","- C276 H292 Fe16 N16 S16 -","4","2","","Michael J. Zdilla; Atul K. Verma; Sonny C. Lee","Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes","Inorganic Chemistry","2011","50","","1551","1562","10.1021/ic1021627","","","0.71073","MoKα","","0.1316","0.0591","","0.1168","0.0927","","","","1.022","1.105","1.105","","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324477","17.1488","0.0008","17.1488","0.0008","43.475","0.002","90","","90","","90","","12785.2","1","200","2","200","2","","","","","","","Chemical Synthesis, S.C. Lee Lab","5","P -4 n 2","P -4 -2n","118","Fe4(N-p-Tol)4(SMes)4, tetragonal form","","","- C67 H75 Fe4 N4 S4 -","- C67 H75 Fe4 N4 S4 -","- C536 H600 Fe32 N32 S32 -","8","1","","Michael J. Zdilla; Atul K. Verma; Sonny C. Lee","Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes","Inorganic Chemistry","2011","50","","1551","1562","10.1021/ic1021627","","","0.71073","MoKα","","0.075","0.0414","","0.099","0.0872","","","","1.02","1.078","1.078","","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324478","20.7971","0.0005","11.4905","0.0003","24.962","0.0006","90","","91.5564","0.0011","90","","5962.9","0.3","200","2","200","2","","","","","","","Chemical Synthesis, S.C. Lee Lab","5","P 1 21/c 1","-P 2ybc","14","Fe4(N-p-Tol)4(SMes)4, monoclinic form","","","- C64 H72 Fe4 N4 S4 -","- C64 H72 Fe4 N4 S4 -","- C256 H288 Fe16 N16 S16 -","4","1","","Michael J. Zdilla; Atul K. Verma; Sonny C. Lee","Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes","Inorganic Chemistry","2011","50","","1551","1562","10.1021/ic1021627","","","0.71073","MoKα","","0.0938","0.0464","","","0.0946","0.108","","","","","","1.021","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324479","14.233","0.002","16.884","0.0016","22.433","0.003","90.792","0.011","97.239","0.013","107.305","0.012","5098.3","1.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H262 La2 N14 O88 P6 W18 -","- C110 La2 N14 O88 P6 W18 -","- C110 La2 N14 O88 P6 W18 -","1","0.5","","Richard Villanneau; David Racimor; Elisabeth Messner-Henning; Hélène Rousselière; Sébastien Picart; René Thouvenot; Anna Proust","Insights into the Coordination Chemistry of Phosphonate Derivatives of Heteropolyoxotungstates","Inorganic Chemistry","2011","50","","1164","1166","10.1021/ic102223w","","","0.71073","MoKα","","0.0924","0.0589","","","0.1485","0.1653","","","","","","1.04","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324480","24.2257","0.0014","24.138","0.007","15.099","0.003","90","","102.763","0.01","90","","8611","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H180 N6 O76 P6 W18 Zr2 -","- C62 N4 O76 P6 W18 Zr2 -","- C124 N8 O152 P12 W36 Zr4 -","2","0.5","","Richard Villanneau; David Racimor; Elisabeth Messner-Henning; Hélène Rousselière; Sébastien Picart; René Thouvenot; Anna Proust","Insights into the Coordination Chemistry of Phosphonate Derivatives of Heteropolyoxotungstates","Inorganic Chemistry","2011","50","","1164","1166","10.1021/ic102223w","","","0.71073","MoKα","","0.1085","0.0648","","","0.1599","0.1865","","","","","","1.037","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324481","15.162","0.004","27.858","0.005","20.453","0.003","90","","93.381","0.01","90","","8624","3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H224 N10 O80 P6 W18 Zr2 -","- C98 H208 N10 O80 P6 W18 Zr2 -","- C196 H416 N20 O160 P12 W36 Zr4 -","2","0.5","","Richard Villanneau; David Racimor; Elisabeth Messner-Henning; Hélène Rousselière; Sébastien Picart; René Thouvenot; Anna Proust","Insights into the Coordination Chemistry of Phosphonate Derivatives of Heteropolyoxotungstates","Inorganic Chemistry","2011","50","","1164","1166","10.1021/ic102223w","","","0.71073","MoKα","","0.0722","0.0379","","","0.0738","0.0832","","","","","","0.98","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324482","28.125","0.006","22.992","0.003","28.543","0.003","90","","115.937","0.008","90","","16598","5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H198 N8 O76 P6 W18 Zr2 -","- C88 N8 O76 P6 W18 Zr2 -","- C352 N32 O304 P24 W72 Zr8 -","4","0.5","","Richard Villanneau; David Racimor; Elisabeth Messner-Henning; Hélène Rousselière; Sébastien Picart; René Thouvenot; Anna Proust","Insights into the Coordination Chemistry of Phosphonate Derivatives of Heteropolyoxotungstates","Inorganic Chemistry","2011","50","","1164","1166","10.1021/ic102223w","","","0.71073","MoKα","","0.0842","0.0403","","","0.0787","0.0904","","","","","","1.033","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324483","13.5512","0.0003","13.6051","0.0002","15.1648","0.0003","90","","90","","90","","2795.86","0.09","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N2 O5 Re -","- C11 H11 N2 O5 Re -","- C88 H88 N16 O40 Re8 -","8","1","","Marina Sagnou; Dimitra Benaki; Charalampos Triantis; Theodoros Tsotakos; Vassilis Psycharis; Catherine P. Raptopoulou; Ioannis Pirmettis; Minas Papadopoulos; Maria Pelecanou","Curcumin as the OO Bidentate Ligand in ""2 + 1"" Complexes with the [M(CO)3]+ (M = Re,99mTc) Tricarbonyl Core for Radiodiagnostic Applications","Inorganic Chemistry","2011","50","","1295","1303","10.1021/ic102228u","","","0.71073","MoKα","","0.0316","0.027","","","0.0644","0.0662","","","","","","1.083","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324484","9.5229","0.0006","15.4955","0.0008","16.2637","0.0009","74.951","0.005","87.982","0.005","77.08","0.005","2258.3","0.2","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C80 H72 Fe4 N24 S8 -","4","2","","Rong-Jia Wei; Bao Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Making Spin-Crossover Crystals by Successive Polymorphic Transformations","Inorganic Chemistry","2011","50","","1170","1172","10.1021/ic102231j","","","0.71073","MoKα","","0.069","0.0376","","","0.0865","0.0928","","","","","","0.933","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324485","21.3951","0.0004","11.6734","0.0002","16.9849","0.0003","90","","101.091","0.002","90","","4162.81","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C160 H144 Fe8 N48 S16 -","8","2","","Rong-Jia Wei; Bao Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Making Spin-Crossover Crystals by Successive Polymorphic Transformations","Inorganic Chemistry","2011","50","","1170","1172","10.1021/ic102231j","","","0.71073","MoKα","","0.045","0.0295","","","0.0593","0.0614","","","","","","0.928","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324486","22.1482","0.0008","11.7494","0.0003","17.1187","0.0006","90","","101.187","0.004","90","","4370.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C160 H144 Fe8 N48 S16 -","8","2","","Rong-Jia Wei; Bao Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Making Spin-Crossover Crystals by Successive Polymorphic Transformations","Inorganic Chemistry","2011","50","","1170","1172","10.1021/ic102231j","","","0.71073","MoKα","","0.1031","0.0423","","","0.0807","0.0895","","","","","","0.832","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324487","13.6485","0.0006","20.9733","0.0009","14.6019","0.0007","90","","90.208","0.004","90","","4179.8","0.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C160 H144 Fe8 N48 S16 -","8","2","","Rong-Jia Wei; Bao Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Making Spin-Crossover Crystals by Successive Polymorphic Transformations","Inorganic Chemistry","2011","50","","1170","1172","10.1021/ic102231j","","","0.71073","MoKα","","0.121","0.0505","","","0.0629","0.0769","","","","","","0.764","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324488","13.5895","0.0004","20.7423","0.0006","15.1449","0.0004","90","","97.006","0.003","90","","4237.1","0.2","192","2","192","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C160 H144 Fe8 N48 S16 -","8","2","","Rong-Jia Wei; Bao Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Making Spin-Crossover Crystals by Successive Polymorphic Transformations","Inorganic Chemistry","2011","50","","1170","1172","10.1021/ic102231j","","","0.71073","MoKα","","0.0741","0.0381","","","0.0697","0.0744","","","","","","0.829","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324489","13.7665","0.0006","20.8937","0.0009","15.3295","0.0006","90","","97.488","0.004","90","","4371.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C160 H144 Fe8 N48 S16 -","8","2","","Rong-Jia Wei; Bao Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Making Spin-Crossover Crystals by Successive Polymorphic Transformations","Inorganic Chemistry","2011","50","","1170","1172","10.1021/ic102231j","","","0.71073","MoKα","","0.1124","0.041","","","0.063","0.0714","","","","","","0.739","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324490","9.3065","0.0003","15.2693","0.0004","15.8827","0.0005","74.76","0.002","87.84","0.003","75.892","0.003","2111.1","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C80 H72 Fe4 N24 S8 -","4","2","","Rong-Jia Wei; Bao Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Making Spin-Crossover Crystals by Successive Polymorphic Transformations","Inorganic Chemistry","2011","50","","1170","1172","10.1021/ic102231j","","","0.71073","MoKα","","0.0432","0.0311","","","0.085","0.0875","","","","","","1.005","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324491","9.4801","0.0004","15.4557","0.0006","15.8889","0.0007","73.912","0.003","86.823","0.004","76.091","0.004","2171.15","0.16","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C80 H72 Fe4 N24 S8 -","4","2","","Rong-Jia Wei; Bao Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","Making Spin-Crossover Crystals by Successive Polymorphic Transformations","Inorganic Chemistry","2011","50","","1170","1172","10.1021/ic102231j","","","0.71073","MoKα","","0.0672","0.04","","","0.0884","0.0935","","","","","","0.91","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324492","12.59","0.002","16.24","0.003","16.649","0.003","111.071","0.003","99.37","0.003","109.899","0.003","2824.7","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 Co N4 O2 -","- C29 H41 Co N4 O2 -","- C116 H164 Co4 N16 O8 -","4","2","","Zachary J. Tonzetich; Florent Héroguel; Loi H. Do; Stephen J. Lippard","Chemistry of Nitrosyliron Complexes Supported by a β-Diketiminate Ligand","Inorganic Chemistry","2011","50","","1570","1579","10.1021/ic102300d","","","0.71073","MoKα","","0.1132","0.0599","","","0.1235","0.1465","","","","","","1.018","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324493","12.442","0.003","20.007","0.005","13.102","0.003","90","","115.805","0.004","90","","2936.2","1.2","163","2","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Br Fe N3 O -","- C29 H41 Br Fe N3 O -","- C116 H164 Br4 Fe4 N12 O4 -","4","1","","Zachary J. Tonzetich; Florent Héroguel; Loi H. Do; Stephen J. Lippard","Chemistry of Nitrosyliron Complexes Supported by a β-Diketiminate Ligand","Inorganic Chemistry","2011","50","","1570","1579","10.1021/ic102300d","","","0.71073","MoKα","","0.0691","0.0554","","","0.1103","0.1138","","","","","","1.294","","","","has coordinates,has disorder","179347","2020-10-21","18:00:00",""
"4324494","10.1792","0.0006","14.7884","0.0008","21.7305","0.0013","90","","93.357","0.001","90","","3265.6","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 Br Fe N2 O -","- C33 H49 Br Fe N2 O -","- C132 H196 Br4 Fe4 N8 O4 -","4","1","","Zachary J. Tonzetich; Florent Héroguel; Loi H. Do; Stephen J. Lippard","Chemistry of Nitrosyliron Complexes Supported by a β-Diketiminate Ligand","Inorganic Chemistry","2011","50","","1570","1579","10.1021/ic102300d","","","0.71073","MoKα","","0.0446","0.0431","","","0.0992","0.0999","","","","","","1.265","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324495","12.5714","0.001","19.9181","0.0016","13.2247","0.0011","90","","116.934","0.001","90","","2952.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Br2 Fe N2 -","- C29 H41 Br2 Fe N2 -","- C116 H164 Br8 Fe4 N8 -","4","1","","Zachary J. Tonzetich; Florent Héroguel; Loi H. Do; Stephen J. Lippard","Chemistry of Nitrosyliron Complexes Supported by a β-Diketiminate Ligand","Inorganic Chemistry","2011","50","","1570","1579","10.1021/ic102300d","","","0.71073","MoKα","","0.0236","0.0203","","","0.0506","0.052","","","","","","1.043","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324496","18.327","0.004","9.6335","0.0019","18.711","0.004","90","","103.74","0.03","90","","3209","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 O3 P2 S3 -","- C36 H26 O3 P2 S3 -","- C144 H104 O12 P8 S12 -","4","0.5","","Qun Zhao; Jianwei Wang; Jason L. Freeman; Makeba Murphy-Jolly; Ashley M. Wright; Debra J. Scardino; Nathan I. Hammer; Christopher M. Lawson; Gary M. Gray","Syntheses, and Optical, Fluorescence, and Nonlinear Optical Characterization of Phosphine-Substituted Terthiophenes","Inorganic Chemistry","2011","50","","2015","2027","10.1021/ic101624y","","","0.71073","MoKα","","0.1091","0.0875","","","0.2149","0.2364","","","","","","1.13","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324497","23.3974","0.0011","16.2969","0.0007","17.6996","0.0009","90","","99.6154","0.0013","90","","6654.1","0.5","113.1","","113.1","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 Cl2 Cu N4 O9 -","- C33 H28 Cl2 Cu N4 O9 -","- C264 H224 Cl16 Cu8 N32 O72 -","8","1","","Kae Tabuchi; Mehmed Z. Ertem; Hideki Sugimoto; Atsushi Kunishita; Tetsuro Tano; Nobutaka Fujieda; Christopher J. Cramer; Shinobu Itoh","Reactions of Copper(II)-Phenol Systems with O2: Models for TPQ Biosynthesis in Copper Amine Oxidases","Inorganic Chemistry","2011","50","","1633","1647","10.1021/ic101832c","","","0.71075","MoKα","","","0.0706","","","","0.2443","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324498","28.313","0.011","8.669","0.002","29.689","0.011","90","","112.927","0.018","90","","6711","4","153.1","","153.1","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 Cl2 Cu N4 O9 -","- C33 H28 Cl2 Cu N4 O9 -","- C264 H224 Cl16 Cu8 N32 O72 -","8","1","","Kae Tabuchi; Mehmed Z. Ertem; Hideki Sugimoto; Atsushi Kunishita; Tetsuro Tano; Nobutaka Fujieda; Christopher J. Cramer; Shinobu Itoh","Reactions of Copper(II)-Phenol Systems with O2: Models for TPQ Biosynthesis in Copper Amine Oxidases","Inorganic Chemistry","2011","50","","1633","1647","10.1021/ic101832c","","","0.71075","MoKα","","","0.047","","","","0.1264","","","","","","0.912","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324499","13.857","0.003","15.846","0.003","15.878","0.003","103.41","0.03","111.2","0.03","108.42","0.03","2838","1.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H36 Cr4 N4 O20 Zn2 -","- C60 H36 Cr4 N4 O20 Zn2 -","- C120 H72 Cr8 N8 O40 Zn4 -","2","1","","Balasubramanian Murugesapandian; Peter W. Roesky","Coordination Polymers of Zinc with (η6-Benzenecarboxylate) Chromium Tricarbonyl","Inorganic Chemistry","2011","50","","1698","1704","10.1021/ic102167t","","","0.71073","MoKα","","0.1227","0.0586","","","0.1879","0.2229","","","","","","0.98","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324500","21.705","0.004","6.2555","0.0013","29.712","0.006","90","","90","","90","","4034.2","1.4","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H36 Cr2 N4 O12 Zn -","- C38 H36 Cr2 N4 O12 Zn -","- C152 H144 Cr8 N16 O48 Zn4 -","4","1","","Balasubramanian Murugesapandian; Peter W. Roesky","Coordination Polymers of Zinc with (η6-Benzenecarboxylate) Chromium Tricarbonyl","Inorganic Chemistry","2011","50","","1698","1704","10.1021/ic102167t","","","0.71073","MoKα","","0.0674","0.0462","","","0.0966","0.1031","","","","","","0.924","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324501","19.1846","0.0006","14.7042","0.0005","12.31","0.0004","90","","111.921","0.002","90","","3221.51","0.19","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C66 H50 Cr4 N4 O21 Zn2 -","- C66 H48 Cr4 N4 O21 Zn2 -","- C132 H96 Cr8 N8 O42 Zn4 -","2","0.5","","Balasubramanian Murugesapandian; Peter W. Roesky","Coordination Polymers of Zinc with (η6-Benzenecarboxylate) Chromium Tricarbonyl","Inorganic Chemistry","2011","50","","1698","1704","10.1021/ic102167t","","","0.71073","MoKα","","0.0538","0.0485","","","0.1235","0.1266","","","","","","1.018","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324502","11.5244","0.0004","12.5316","0.0005","13.4182","0.0006","95.948","0.003","96.497","0.003","114.688","0.003","1724.8","0.13","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H20 Cl3 Cr2 N3 O10 Zn -","- C31 H20 Cl3 Cr2 N3 O10 Zn -","- C62 H40 Cl6 Cr4 N6 O20 Zn2 -","2","1","","Balasubramanian Murugesapandian; Peter W. Roesky","Coordination Polymers of Zinc with (η6-Benzenecarboxylate) Chromium Tricarbonyl","Inorganic Chemistry","2011","50","","1698","1704","10.1021/ic102167t","","","0.71073","MoKα","","0.0525","0.0432","","","0.1236","0.1287","","","","","","1.04","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324503","9.8567","0.0003","16.1182","0.0005","17.143","0.0005","64.346","0.001","74.728","0.001","83.207","0.001","2368.35","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H120 Cu3 Fe2 N24 -","- C72 H120 Cu3 Fe2 N24 -","- C72 H120 Cu3 Fe2 N24 -","1","0.5","","Jeong Hak Lim; Jung Hee Yoon; Sang Yup Choi; Dae Won Ryu; Eui Kwan Koh; Chang Seop Hong","Cyano-Bridged Pentanuclear and Honeycomblike MIIICuII (M = Fe, Cr) Bimetallic Assemblies: Structural Variations Modulated by Side Groups of Macrocyclic Ligands and Magnetic Properties","Inorganic Chemistry","2011","50","","1749","1757","10.1021/ic102179n","","","0.71073","MoKα","","0.0366","0.028","","","0.0715","0.0735","","","","","","1.054","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324504","10.4644","0.0003","17.3263","0.0004","17.7839","0.0004","69.681","0.001","77.474","0.001","89.257","0.001","2944.92","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H94 Cl Cu2 Fe N14 O7 -","- C50 H88 Cl Cu2 Fe N14 O7 -","- C100 H176 Cl2 Cu4 Fe2 N28 O14 -","2","1","","Jeong Hak Lim; Jung Hee Yoon; Sang Yup Choi; Dae Won Ryu; Eui Kwan Koh; Chang Seop Hong","Cyano-Bridged Pentanuclear and Honeycomblike MIIICuII (M = Fe, Cr) Bimetallic Assemblies: Structural Variations Modulated by Side Groups of Macrocyclic Ligands and Magnetic Properties","Inorganic Chemistry","2011","50","","1749","1757","10.1021/ic102179n","","","0.71073","MoKα","","0.102","0.0517","","","0.1313","0.1586","","","","","","1.019","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4324505","10.133","0.0003","16.2955","0.0004","17.4383","0.0005","65.009","0.001","76.164","0.001","81.944","0.001","2531.63","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H120 Cr2 Cu3 N24 O0 -","- C72 H120 Cr2 Cu3 N24 -","- C72 H120 Cr2 Cu3 N24 -","1","0.5","","Jeong Hak Lim; Jung Hee Yoon; Sang Yup Choi; Dae Won Ryu; Eui Kwan Koh; Chang Seop Hong","Cyano-Bridged Pentanuclear and Honeycomblike MIIICuII (M = Fe, Cr) Bimetallic Assemblies: Structural Variations Modulated by Side Groups of Macrocyclic Ligands and Magnetic Properties","Inorganic Chemistry","2011","50","","1749","1757","10.1021/ic102179n","","","0.71073","MoKα","","0.1236","0.0457","","","0.0919","0.1058","","","","","","0.807","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324506","16.866","0.0007","17.7731","0.0008","17.9983","0.0008","68.326","0.001","68.76","0.001","74.593","0.001","4618.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H132 Cr2 Cu3 N24 O0 -","- C78 H132 Cr2 Cu3 N24 -","- C156 H264 Cr4 Cu6 N48 -","2","1","","Jeong Hak Lim; Jung Hee Yoon; Sang Yup Choi; Dae Won Ryu; Eui Kwan Koh; Chang Seop Hong","Cyano-Bridged Pentanuclear and Honeycomblike MIIICuII (M = Fe, Cr) Bimetallic Assemblies: Structural Variations Modulated by Side Groups of Macrocyclic Ligands and Magnetic Properties","Inorganic Chemistry","2011","50","","1749","1757","10.1021/ic102179n","","","0.71073","MoKα","","0.0789","0.05","","","0.1244","0.1355","","","","","","1.055","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324507","11.9132","0.001","13.546","0.0011","13.67","0.0015","90","","113.959","0.011","90","","2015.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H21.5 Cu N2.5 O7.5 -","- C17.5 H7 Cu N2.5 O6.91 -","- C70 H28 Cu4 N10 O27.64 -","4","1","","Shenglin Xiang; Jing Huang; Lei Li; Jianyong Zhang; Long Jiang; Xiaojun Kuang; Cheng-Yong Su","Nanotubular Metal-Organic Frameworks with High Porosity Based on T-Shaped Pyridyl Dicarboxylate Ligands","Inorganic Chemistry","2011","50","","1743","1748","10.1021/ic102188v","","","1.5418","CuKα","","0.1709","0.1354","","","0.3586","0.3736","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324508","14.564","0.003","26.22","0.005","14.207","0.005","90","","107.08","0.03","90","","5186","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H55 Cu2 N5 O20 -","- C35 H14 Cu2 N5 O20 -","- C140 H56 Cu8 N20 O80 -","4","1","","Shenglin Xiang; Jing Huang; Lei Li; Jianyong Zhang; Long Jiang; Xiaojun Kuang; Cheng-Yong Su","Nanotubular Metal-Organic Frameworks with High Porosity Based on T-Shaped Pyridyl Dicarboxylate Ligands","Inorganic Chemistry","2011","50","","1743","1748","10.1021/ic102188v","","","1.54178","CuKα","","0.2293","0.1315","","","0.335","0.3767","","","","","","1.01","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324509","8.4741","0.0005","30.782","0.002","11.1688","0.0009","90","","104.18","0.007","90","","2824.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl5 N4 O2.5 Ru -","- C27 H22 Cl5 N4 O2.5 Ru -","- C108 H88 Cl20 N16 O10 Ru4 -","4","1","","Abhishek Dutta Chowdhury; Amit Das; Irshad K; Shaikh M. Mobin; Goutam Kumar Lahiri","Isomeric Complexes of [RuII(trpy)(L)Cl] (trpy = 2,2':6',2''-Terpyridine and HL = Quinaldic Acid): Preference of Isomeric Structural Form in Catalytic Chemoselective Epoxidation Process","Inorganic Chemistry","2011","50","","1775","1785","10.1021/ic102195w","","","0.71073","MoKα","","0.1272","0.0613","","","0.1434","0.1556","","","","","","0.912","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324510","13.3237","0.0004","14.4717","0.0006","18.3936","0.0006","105.741","0.003","93.689","0.002","113.068","0.004","3081.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H40 Cl2 N11 O16 Ru2 -","- C56 H40 Cl2 N11 O16 Ru2 -","- C112 H80 Cl4 N22 O32 Ru4 -","2","1","","Abhishek Dutta Chowdhury; Amit Das; Irshad K; Shaikh M. Mobin; Goutam Kumar Lahiri","Isomeric Complexes of [RuII(trpy)(L)Cl] (trpy = 2,2':6',2''-Terpyridine and HL = Quinaldic Acid): Preference of Isomeric Structural Form in Catalytic Chemoselective Epoxidation Process","Inorganic Chemistry","2011","50","","1775","1785","10.1021/ic102195w","","","0.71073","MoKα","","0.0948","0.071","","","0.2078","0.2215","","","","","","1.037","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324511","14.5284","0.0003","16.8813","0.0004","8.9158","0.0002","90","","90","","90","","2186.67","0.08","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H19 Cl N4 O3 Ru -","- C25 H19 Cl N4 O3 Ru -","- C100 H76 Cl4 N16 O12 Ru4 -","4","1","","Abhishek Dutta Chowdhury; Amit Das; Irshad K; Shaikh M. Mobin; Goutam Kumar Lahiri","Isomeric Complexes of [RuII(trpy)(L)Cl] (trpy = 2,2':6',2''-Terpyridine and HL = Quinaldic Acid): Preference of Isomeric Structural Form in Catalytic Chemoselective Epoxidation Process","Inorganic Chemistry","2011","50","","1775","1785","10.1021/ic102195w","","","0.71073","MoKα","","0.0362","0.0271","","","0.0442","0.0454","","","","","","0.904","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324512","16.7337","0.0012","9.1857","0.0007","24.2468","0.0017","90","","109.375","0.003","90","","3515.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H66 O P2 Pt -","- C37 H66 O P2 Pt -","- C148 H264 O4 P8 Pt4 -","4","0.5","","Stefanie Bertsch; Holger Braunschweig; Melanie Forster; Katrin Gruss; Krzysztof Radacki","Carbonyl Complexes of Platinum(0): Synthesis and Structure of [(Cy3P)2Pt(CO)] and [(Cy3P)2Pt(CO)2]","Inorganic Chemistry","2011","50","","1816","1819","10.1021/ic102200t","","","0.71073","MoKα","","0.0312","0.0301","","","0.0707","0.071","","","","","","1.123","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324513","26.531","0.002","10.717","0.0009","15.0153","0.0013","90","","90","","90","","4269.3","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H74 O2 P2 Pt -","- C45 H74 O2 P2 Pt -","- C180 H296 O8 P8 Pt4 -","4","1","","Stefanie Bertsch; Holger Braunschweig; Melanie Forster; Katrin Gruss; Krzysztof Radacki","Carbonyl Complexes of Platinum(0): Synthesis and Structure of [(Cy3P)2Pt(CO)] and [(Cy3P)2Pt(CO)2]","Inorganic Chemistry","2011","50","","1816","1819","10.1021/ic102200t","","","0.71073","MoKα","","0.0195","0.0174","","","0.0388","0.0397","","","","","","1.042","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324514","21.756","0.004","4.3671","0.0009","12.192","0.002","90","","108.29","0.03","90","","1099.8","0.4","293","2","293","2","101","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B6 H6 Nd2 O15 -","- B6 H6 Nd2 O15 -","- B24 H24 Nd8 O60 -","4","0.5","","Rihong Cong; Tao Yang; Zheming Wang; Junliang Sun; Fuhui Liao; Yingxia Wang; Jianhua Lin","Syntheses, Structure, and Luminescent Properties of Novel Hydrated Rare Earth Borates Ln2B6O10(OH)4.H2O (Ln= Pr, Nd, Sm, Eu, Gd, Dy, Ho, and Y)","Inorganic Chemistry","2011","50","","1767","1774","10.1021/ic102230r","","","0.71073","MoKα","","0.038","0.0271","","","0.0554","0.0569","","","","","","1","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324515","10.266","0.0011","10.266","0.0011","9.6311","0.001","90","","90","","90","","1015.03","0.19","293","2","293","2","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C8 H44.72 Al1.64 F1.64 Fe6.36 N8 O34.36 P8 -","- C8 Al1.6 F1.64 Fe6.4 N8 O34.36 P8 -","- C8 Al1.6 F1.64 Fe6.4 N8 O34.36 P8 -","1","0.0625","","Yanyan Wang; Yi Li; Lei Wang; Jingzhe Zhang; Yan Yan; Jiyang Li; Jihong Yu; Jincheng Wang; Ruren Xu","ACO-Zeotype Iron Aluminum Phosphates with Variable Al/Fe Ratios Controlled by F-Ions","Inorganic Chemistry","2011","50","","1820","1825","10.1021/ic102234s","","","0.71073","MoKα","","0.0456","0.0429","","","0.1135","0.1165","","","","","","0.913","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324516","10.2941","0.0007","10.2941","0.0007","9.6484","0.0012","90","","90","","90","","1022.43","0.16","296","2","296","2","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C8 H45.34 Al1.33 F1.33 Fe6.67 N8 O34.67 P8 -","- C8 Al1.36 F1.34 Fe6.64 N8 O34.66 P8 -","- C8 Al1.36 F1.34 Fe6.64 N8 O34.66 P8 -","1","0.0625","","Yanyan Wang; Yi Li; Lei Wang; Jingzhe Zhang; Yan Yan; Jiyang Li; Jihong Yu; Jincheng Wang; Ruren Xu","ACO-Zeotype Iron Aluminum Phosphates with Variable Al/Fe Ratios Controlled by F-Ions","Inorganic Chemistry","2011","50","","1820","1825","10.1021/ic102234s","","","0.71073","MoKα","","0.0617","0.0549","","","0.1357","0.1417","","","","","","1.003","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324517","10.292","0.002","10.292","0.002","9.629","0.003","90","","90","","90","","1020","0.4","296","2","296","2","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C8 H46.4 Al0.8 F0.8 Fe7.2 N8 O35.2 P8 -","- C8 Al0.8 F0.8 Fe7.2 N8 O35.2 P8 -","- C8 Al0.8 F0.8 Fe7.2 N8 O35.2 P8 -","1","0.0625","","Yanyan Wang; Yi Li; Lei Wang; Jingzhe Zhang; Yan Yan; Jiyang Li; Jihong Yu; Jincheng Wang; Ruren Xu","ACO-Zeotype Iron Aluminum Phosphates with Variable Al/Fe Ratios Controlled by F-Ions","Inorganic Chemistry","2011","50","","1820","1825","10.1021/ic102234s","","","0.71073","MoKα","","0.0875","0.0668","","","0.1842","0.2032","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324518","13.097","0.008","10.595","0.006","25.587","0.005","90","","90","","90","","3551","3","250","2","250","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 F N8 Zr -","- C33 H51 F N8 Zr -","- C132 H204 F4 N32 Zr4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.1263","0.0629","","","0.1138","0.1445","","","","","","0.996","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324519","10.707","0.004","6.833","0.002","18.393","0.006","90","","98.577","0.005","90","","1330.6","0.8","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H18 F N -","- C16 H18 F N -","- C64 H72 F4 N4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.0689","0.0532","","","0.1266","0.1368","","","","","","1.017","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324520","10.371","0.002","19.001","0.004","15.118","0.003","90","","96.642","0.007","90","","2959.1","1","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H41 F Li N5 O -","- C31 H41 F Li N5 O -","- C124 H164 F4 Li4 N20 O4 -","4","2","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.2428","0.085","","","0.1588","0.2283","","","","","","0.952","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324521","14.336","0.0012","14.336","0.0012","15.199","0.003","90","","90","","90","","3123.7","0.7","180","2","180","2","","","","","","","","7","P 43","P 4cw","78","","","","- C31 H42 Cl F Li N5 O -","- C31 H42 Cl F Li N5 O -","- C124 H168 Cl4 F4 Li4 N20 O4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.1281","0.0626","","","0.1486","0.1994","","","","","","0.949","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324522","14.5316","0.0007","14.5316","0.0007","15.1786","0.0016","90","","90","","90","","3205.2","0.4","180","2","180","2","","","","","","","","6","P 43","P 4cw","78","","","","- C31 H42 Cl2 Li N5 O -","- C31 H42 Cl2 Li N5 O -","- C124 H168 Cl8 Li4 N20 O4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.1178","0.0643","","","0.1596","0.2066","","","","","","1.006","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324523","12.7627","0.0013","12.7627","0.0013","9.3262","0.001","90","","90","","120","","1315.6","0.2","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au46.67 Ca14 Sn4.15 -","- Au46.662 Ca14 Sn4.152 -","- Au46.662 Ca14 Sn4.152 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0569","0.0412","","","0.0896","0.0964","","","","","","1.038","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324524","12.812","0.0018","12.812","0.0018","9.361","0.0019","90","","90","","120","","1330.7","0.4","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au45.79 Ca14 Sn4.95 -","- Au45.812 Ca14 Sn4.924 -","- Au45.812 Ca14 Sn4.924 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0531","0.0476","","","0.1067","0.1095","","","","","","1.152","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324525","12.8789","0.0012","12.8789","0.0012","9.3815","0.0009","90","","90","","120","","1347.6","0.2","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au45.11 Ca14 Sn5.89 -","- Au45.102 Ca14 Sn5.898 -","- Au45.102 Ca14 Sn5.898 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0459","0.039","","","0.0991","0.1025","","","","","","1.112","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324526","12.7946","0.0007","12.7946","0.0007","9.3643","0.0006","90","","90","","120","","1327.58","0.13","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au46.15 Ca14 Sn4.53 -","- Au46.158 Ca14 Sn4.524 -","- Au46.158 Ca14 Sn4.524 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0425","0.0396","","","0.1062","0.1082","","","","","","1.094","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324527","12.8287","0.001","12.8287","0.001","9.3692","0.0008","90","","90","","120","","1335.36","0.19","273","2","273","2","","","","","","","","3","P 6/m","-P 6","175","","","","- Au45.77 Ca14 Sn4.97 -","- Au45.774 Ca14 Sn4.968 -","- Au45.774 Ca14 Sn4.968 -","1","0.0833333","","Qisheng Lin; John D. Corbett","Ca14Au46Sn5: a ""Colored"" Gd14Ag51-Type Structure Containing Columns of Well-Differentiated hexagonal Gold Stars","Inorganic Chemistry","2011","50","","1808","1815","10.1021/ic102243c","","","0.71073","MoKα","","0.0558","0.048","","","0.1182","0.1229","","","","","","1.054","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324528","7.2514","0.0018","9.816","0.002","16.378","0.005","90","","90","","90","","1165.8","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 N2 O S2 V -","- C9 H18 N2 O S2 V -","- C36 H72 N8 O4 S8 V4 -","4","1","","Roxanne M. Jenkins; Tiffany A. Pinder; Michelle L. Hatley; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Tetradentate N2S2 Vanadyl(IV) Coordination Complexes: Synthesis, Characterization, and Reactivity Studies","Inorganic Chemistry","2011","50","","1849","1855","10.1021/ic1022533","","","0.71073","MoKα","","0.0476","0.0363","","","0.0582","0.0619","","","","","","1.004","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4324529","7.59","0.003","20.689","0.009","8.565","0.003","90","","109.55","0.04","90","","1267.4","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N2 O S2 V -","- C10 H20 N2 O S2 V -","- C40 H80 N8 O4 S8 V4 -","4","1","","Roxanne M. Jenkins; Tiffany A. Pinder; Michelle L. Hatley; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Tetradentate N2S2 Vanadyl(IV) Coordination Complexes: Synthesis, Characterization, and Reactivity Studies","Inorganic Chemistry","2011","50","","1849","1855","10.1021/ic1022533","","","0.71073","MoKα","","0.064","0.0517","","","0.1182","0.1238","","","","","","1.007","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324530","8.894","0.005","12.219","0.007","13.832","0.007","72.63","0.05","79.92","0.04","80.36","0.05","1401.9","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H50 N4 O4 S2 V -","- C22 H50 N4 O4 S2 V -","- C44 H100 N8 O8 S4 V2 -","2","1","","Roxanne M. Jenkins; Tiffany A. Pinder; Michelle L. Hatley; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Tetradentate N2S2 Vanadyl(IV) Coordination Complexes: Synthesis, Characterization, and Reactivity Studies","Inorganic Chemistry","2011","50","","1849","1855","10.1021/ic1022533","","","0.71073","MoKα","","0.0561","0.0397","","","0.0916","0.1004","","","","","","1.003","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324531","15.6825","0.0015","39.503","0.004","17.2763","0.0017","90","","93.791","0.002","90","","10679.3","1.8","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H96 Co17 Mo16 N10 Na2 O148 P24 -","- C50 H96 Co17 Mo16 N10 Na2 O148 P24 -","- C100 H192 Co34 Mo32 N20 Na4 O296 P48 -","2","0.5","","Kai Yu; Bai-Bin Zhou; Yang Yu; Zhan-Hua Su; Guo-Yu Yang","A New Organic-Inorganic Hybrid Layered Molybdenum(V) Cobalt Phosphate Constructed from [H24(Mo16O32)Co16(PO4)24(OH)4(C5H4N)2(H2O)6]4- Wheels and 4,4'-Bipyridine Linkers","Inorganic Chemistry","2011","50","","1862","1867","10.1021/ic1022664","","","0.71073","MoKα","","0.0771","0.0587","","","0.1435","0.1618","","","","","","1.072","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324532","8.7788","0.0002","9.881","0.0002","20.506","0.0004","92.884","0.002","90.071","0.002","113.948","0.001","1623.12","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C33 H50 N2 O Sn -","- C33 H50 N2 O Sn -","- C66 H100 N4 O2 Sn2 -","2","1","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; Hazel Cox; J. Robin Fulton","Activation of Carbon Dioxide by Divalent Tin Alkoxides Complexes","Inorganic Chemistry","2011","50","","1879","1888","10.1021/ic102273n","","x-ray","0.71073","MoKα","","0.0504","0.0446","","","0.1172","0.1213","","","","","","1.11","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324533","13.388","0.0002","16.7487","0.0003","15.214","0.0002","90","","107.654","0.001","90","","3250.8","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 N2 O Sn -","- C33 H50 N2 O Sn -","- C132 H200 N8 O4 Sn4 -","4","1","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; Hazel Cox; J. Robin Fulton","Activation of Carbon Dioxide by Divalent Tin Alkoxides Complexes","Inorganic Chemistry","2011","50","","1879","1888","10.1021/ic102273n","","x-ray","0.71073","MoKα","","0.0372","0.0287","","","0.0668","0.0707","","","","","","1.057","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324534","8.9128","0.0002","19.8833","0.0005","10.4482","0.0002","90","","113.349","0.001","90","","1699.96","0.07","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H41 F9 N2 O Sn -","- C33 H41 F9 N2 O Sn -","- C66 H82 F18 N4 O2 Sn2 -","2","0.5","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; Hazel Cox; J. Robin Fulton","Activation of Carbon Dioxide by Divalent Tin Alkoxides Complexes","Inorganic Chemistry","2011","50","","1879","1888","10.1021/ic102273n","","x-ray","0.7107","MoKα","","0.035","0.0276","","","0.059","0.0615","","","","","","1.023","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324535","14.7295","0.0003","16.2188","0.0002","17.6171","0.0002","110.624","0.001","99.628","0.001","108.961","0.001","3531.49","0.11","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C36 H50 N2 O4 Sn -","- C36 H50 N2 O4 Sn -","- C144 H200 N8 O16 Sn4 -","4","2","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; Hazel Cox; J. Robin Fulton","Activation of Carbon Dioxide by Divalent Tin Alkoxides Complexes","Inorganic Chemistry","2011","50","","1879","1888","10.1021/ic102273n","","x-ray","0.71073","MoKα","","0.0507","0.0331","","","0.0702","0.0764","","","","","","1.011","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324536","23.9643","0.0002","27.8303","0.0003","10.2198","0.0001","90","","90","","90","","6815.93","0.11","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C36 H49 Cl N2 Sn -","- C36 H49 Cl N2 Sn -","- C288 H392 Cl8 N16 Sn8 -","8","1","","Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; Hazel Cox; J. Robin Fulton","Activation of Carbon Dioxide by Divalent Tin Alkoxides Complexes","Inorganic Chemistry","2011","50","","1879","1888","10.1021/ic102273n","","x-ray","0.71073","MoKα","","0.0437","0.031","","","0.0612","0.0649","","","","","","1.063","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324537","11.171","0.002","13.209","0.003","14.544","0.003","76.869","0.008","76.866","0.007","77.367","0.008","2003.5","0.7","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H55 Al B2 N2 O3 -","- C43 H55 Al B2 N2 O3 -","- C86 H110 Al2 B4 N4 O6 -","2","1","","Xiaoli Ma; Zhi Yang; Xiujuan Wang; Herbert W. Roesky; Feng Wu; Hongping Zhu","Synthesis of Boroxine-Linked Aluminum Complexes","Inorganic Chemistry","2011","50","","2010","2014","10.1021/ic1022906","","","0.71073","MoKα","","0.0974","0.0581","","","0.1341","0.1452","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4324538","29.861","0.004","21.602","0.003","12.9186","0.0017","90","","90","","90","","8333.2","1.9","133","2","133","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H49 Al B2 F2 N2 O3 -","- C44 H49 Al B2 F2 N2 O3 -","- C352 H392 Al8 B16 F16 N16 O24 -","8","1","","Xiaoli Ma; Zhi Yang; Xiujuan Wang; Herbert W. Roesky; Feng Wu; Hongping Zhu","Synthesis of Boroxine-Linked Aluminum Complexes","Inorganic Chemistry","2011","50","","2010","2014","10.1021/ic1022906","","","0.71073","MoKα","","0.105","0.0778","","","0.1491","0.1609","","","","","","1.15","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4324539","12.125","0.003","12.502","0.003","17.663","0.004","104.381","0.002","101.364","0.002","108.018","0.002","2354.9","1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H61 Al B2 N2 O4 -","- C53 H61 Al B2 N2 O4 -","- C106 H122 Al2 B4 N4 O8 -","2","1","","Xiaoli Ma; Zhi Yang; Xiujuan Wang; Herbert W. Roesky; Feng Wu; Hongping Zhu","Synthesis of Boroxine-Linked Aluminum Complexes","Inorganic Chemistry","2011","50","","2010","2014","10.1021/ic1022906","","","0.71073","MoKα","","0.0805","0.0498","","","0.1044","0.1185","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4324540","12.749","0.004","15.966","0.004","20.125","0.006","90","","94.251","0.005","90","","4085","2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Al B2 N2 O4 -","- C43 H51 Al B2 N2 O4 -","- C172 H204 Al4 B8 N8 O16 -","4","1","","Xiaoli Ma; Zhi Yang; Xiujuan Wang; Herbert W. Roesky; Feng Wu; Hongping Zhu","Synthesis of Boroxine-Linked Aluminum Complexes","Inorganic Chemistry","2011","50","","2010","2014","10.1021/ic1022906","","","0.71073","MoKα","","0.1446","0.0787","","","0.1655","0.1961","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4324541","9.251","0.004","10.409","0.005","14.972","0.004","76.483","0.003","75.52","0.004","83.351","0.006","1354.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl2 Co N16 O12 -","- C48 H56 Cl2 Co N16 O12 -","- C48 H56 Cl2 Co N16 O12 -","1","0.5","","Manish K. Sharma; Parimal K. Bharadwaj","A Dynamic Open Framework Exhibiting Guest- and/or Temperature-Induced Bicycle-Pedal Motion in Single-Crystal to Single-Crystal Transformation","Inorganic Chemistry","2011","50","","1889","1897","10.1021/ic102305v","","","0.71069","MoKα","","0.0769","0.0626","","","0.1658","0.1972","","","","","","1.117","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324542","9.233","0.005","10.375","0.006","15.393","0.004","76.162","0.005","75.294","0.003","84.377","0.005","1383.7","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cd Cl2 N16 O12 -","- C48 H56 Cd Cl2 N16 O12 -","- C48 H56 Cd Cl2 N16 O12 -","1","0.5","","Manish K. Sharma; Parimal K. Bharadwaj","A Dynamic Open Framework Exhibiting Guest- and/or Temperature-Induced Bicycle-Pedal Motion in Single-Crystal to Single-Crystal Transformation","Inorganic Chemistry","2011","50","","1889","1897","10.1021/ic102305v","","","0.71069","MoKα","","0.0639","0.0603","","","0.1583","0.1618","","","","","","1.051","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324543","10.449","0.005","15.15","0.003","26.857","0.002","74.102","0.002","87.25","0.005","74.714","0.004","3943","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H154 Cd3 Cl6 N46 O34 -","- C138 H154 Cd3 Cl6 N46 O34 -","- C138 H154 Cd3 Cl6 N46 O34 -","1","0.5","","Manish K. Sharma; Parimal K. Bharadwaj","A Dynamic Open Framework Exhibiting Guest- and/or Temperature-Induced Bicycle-Pedal Motion in Single-Crystal to Single-Crystal Transformation","Inorganic Chemistry","2011","50","","1889","1897","10.1021/ic102305v","","","0.71069","MoKα","","0.0937","0.066","","","0.1645","0.1972","","","","","","1.043","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324544","10.453","0.002","15.212","0.005","17.753","0.003","72.53","0.03","84.76","0.02","74.64","0.03","2596.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H49 Cd Cl2 N15 O11 -","- C45 H49 Cd Cl2 N15 O11 -","- C90 H98 Cd2 Cl4 N30 O22 -","2","1","","Manish K. Sharma; Parimal K. Bharadwaj","A Dynamic Open Framework Exhibiting Guest- and/or Temperature-Induced Bicycle-Pedal Motion in Single-Crystal to Single-Crystal Transformation","Inorganic Chemistry","2011","50","","1889","1897","10.1021/ic102305v","","","0.71073","MoKα","","0.1348","0.0846","","","0.2245","0.2658","","","","","","1.026","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324545","14.436","0.006","16.301","0.003","16.996","0.004","90","","92.576","0.005","90","","3995","2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H28 Cd Cl2 N12 O8 -","- C36 H28 Cd Cl2 N12 O8 -","- C72 H56 Cd2 Cl4 N24 O16 -","2","0.25","","Manish K. Sharma; Parimal K. Bharadwaj","A Dynamic Open Framework Exhibiting Guest- and/or Temperature-Induced Bicycle-Pedal Motion in Single-Crystal to Single-Crystal Transformation","Inorganic Chemistry","2011","50","","1889","1897","10.1021/ic102305v","","","0.71069","MoKα","","0.2009","0.1874","","","0.4326","0.455","","","","","","1.896","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324546","9.304","0.003","10.37","0.005","15.502","0.002","77.703","0.006","75.33","0.005","84.982","0.005","1412.8","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Cd Cl2 N14 O12 -","- C48 H54 Cd Cl2 N14 O12 -","- C48 H54 Cd Cl2 N14 O12 -","1","0.5","","Manish K. Sharma; Parimal K. Bharadwaj","A Dynamic Open Framework Exhibiting Guest- and/or Temperature-Induced Bicycle-Pedal Motion in Single-Crystal to Single-Crystal Transformation","Inorganic Chemistry","2011","50","","1889","1897","10.1021/ic102305v","","","0.71069","MoKα","","0.104","0.079","","","0.2033","0.2431","","","","","","1.07","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324547","10.203","0.003","10.415","0.005","15.118","0.006","76.404","0.005","77.217","0.005","82","0.004","1516.3","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H72 Cd Cl2 N16 O12 -","- C56 H72 Cd Cl2 N16 O12 -","- C56 H72 Cd Cl2 N16 O12 -","1","0.5","","Manish K. Sharma; Parimal K. Bharadwaj","A Dynamic Open Framework Exhibiting Guest- and/or Temperature-Induced Bicycle-Pedal Motion in Single-Crystal to Single-Crystal Transformation","Inorganic Chemistry","2011","50","","1889","1897","10.1021/ic102305v","","","0.71069","MoKα","","0.0719","0.063","","","0.1668","0.1901","","","","","","1.123","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324548","9.389","0.005","10.442","0.006","15.507","0.005","77.828","0.004","75.57","0.005","84.742","0.005","1438","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cd Cl2 N16 O12 -","- C48 H56 Cd Cl2 N16 O12 -","- C48 H56 Cd Cl2 N16 O12 -","1","0.5","","Manish K. Sharma; Parimal K. Bharadwaj","A Dynamic Open Framework Exhibiting Guest- and/or Temperature-Induced Bicycle-Pedal Motion in Single-Crystal to Single-Crystal Transformation","Inorganic Chemistry","2011","50","","1889","1897","10.1021/ic102305v","","","0.71069","MoKα","","0.0828","0.0724","","","0.184","0.2027","","","","","","1.161","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324549","13.3414","0.0009","8.6998","0.0006","12.881","0.0005","90","","90","","90","","1495.07","0.16","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 H14 N2 O13 Th -","- C10 H14 N2 O13 Th -","- C40 H56 N8 O52 Th4 -","4","0.5","","Pierre Thuéry","Solid State Structure of Thorium(IV) Complexes with Common Aminopolycarboxylate Ligands","Inorganic Chemistry","2011","50","","1898","1904","10.1021/ic102359q","","","0.71073","MoKα","","0.0319","0.0229","","","0.0535","0.0566","","","","","","1.066","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324550","6.6391","0.0002","12.1471","0.0003","42.8135","0.0012","90","","90","","90","","3452.73","0.17","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O14 Th -","- C12 H18 N2 O14 Th -","- C96 H144 N16 O112 Th8 -","8","1","","Pierre Thuéry","Solid State Structure of Thorium(IV) Complexes with Common Aminopolycarboxylate Ligands","Inorganic Chemistry","2011","50","","1898","1904","10.1021/ic102359q","","","0.71073","MoKα","","0.0203","0.0166","","","0.033","0.0338","","","","","","1.137","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324551","6.7301","0.0004","19.4288","0.0014","12.1668","0.0007","90","","101.349","0.004","90","","1559.8","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 N2 O11 Th -","- C10 H18 N2 O11 Th -","- C40 H72 N8 O44 Th4 -","4","1","","Pierre Thuéry","Solid State Structure of Thorium(IV) Complexes with Common Aminopolycarboxylate Ligands","Inorganic Chemistry","2011","50","","1898","1904","10.1021/ic102359q","","","0.71073","MoKα","","0.0297","0.0246","","","0.0586","0.0601","","","","","","1.037","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324552","12.317","0.0008","13.8217","0.0009","17.1073","0.0011","73.823","0.001","82.783","0.001","76.217","0.001","2711","0.3","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H78 Br2 Cl2 Mg2 N10 Si2 -","- C43 H78 Br2 Cl2 Mg2 N10 Si2 -","- C86 H156 Br4 Cl4 Mg4 N20 Si4 -","2","1","","Meisu Zhou; Tao Gong; Xiaoli Qiao; Hongbo Tong; Jianping Guo; Diansheng Liu","Magnesium(II) Complexes of 2,4-N,N'-Disubstituted 1,3,5-Triazapentadienyl Ligands: Synthesis and Characterization of [N(Dipp)C(NMe2)NC(NMe2)N(SiMe3)MgBr]2 and [N(R)C(R')NC(R')N(SiMe3)]2Mg (Dipp = 2,6-iPr2-C6H3, R = Ph, SiMe3; R' = NMe2, 1-piperidino)","Inorganic Chemistry","2011","50","","1926","1930","10.1021/ic102401w","","","0.71073","MoKα","","0.0419","0.0337","","","0.0893","0.094","","","","","","1.055","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324553","11.175","0.003","11.979","0.004","16.136","0.005","90.077","0.004","107.705","0.004","115.707","0.004","1831.6","1","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Mg N10 Si2 -","- C30 H52 Mg N10 Si2 -","- C60 H104 Mg2 N20 Si4 -","2","1","","Meisu Zhou; Tao Gong; Xiaoli Qiao; Hongbo Tong; Jianping Guo; Diansheng Liu","Magnesium(II) Complexes of 2,4-N,N'-Disubstituted 1,3,5-Triazapentadienyl Ligands: Synthesis and Characterization of [N(Dipp)C(NMe2)NC(NMe2)N(SiMe3)MgBr]2 and [N(R)C(R')NC(R')N(SiMe3)]2Mg (Dipp = 2,6-iPr2-C6H3, R = Ph, SiMe3; R' = NMe2, 1-piperidino)","Inorganic Chemistry","2011","50","","1926","1930","10.1021/ic102401w","","","0.71073","MoKα","","0.0946","0.0723","","","0.1916","0.235","","","","","","1.151","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324554","15.188","0.004","28.697","0.007","11.888","0.003","90","","100.801","0.003","90","","5090","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H162 Mg2 N20 O Si8 -","- C76 H162 Mg2 N20 O Si8 -","- C152 H324 Mg4 N40 O2 Si16 -","2","0.5","","Meisu Zhou; Tao Gong; Xiaoli Qiao; Hongbo Tong; Jianping Guo; Diansheng Liu","Magnesium(II) Complexes of 2,4-N,N'-Disubstituted 1,3,5-Triazapentadienyl Ligands: Synthesis and Characterization of [N(Dipp)C(NMe2)NC(NMe2)N(SiMe3)MgBr]2 and [N(R)C(R')NC(R')N(SiMe3)]2Mg (Dipp = 2,6-iPr2-C6H3, R = Ph, SiMe3; R' = NMe2, 1-piperidino)","Inorganic Chemistry","2011","50","","1926","1930","10.1021/ic102401w","","","0.71073","MoKα","","0.0808","0.058","","","0.1648","0.1939","","","","","","1.067","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324555","9.352","0.005","9.457","0.005","6.962","0.004","90","","90","","90","","615.7","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B3 Ge O7 Rb -","- B3 Ge O7 Rb -","- B12 Ge4 O28 Rb4 -","4","1","","Jian-Han Zhang; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study","Inorganic Chemistry","2011","50","","1973","1982","10.1021/ic102451n","","","0.71073","MoKα","","0.0294","0.0265","","","0.0504","0.0518","","","","","","1.055","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324556","6.611","0.004","9.95","0.005","13.216","0.007","90","","90.38","0.007","90","","869.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 Ge O9 Rb2 -","- B4 Ge O9 Rb2 -","- B16 Ge4 O36 Rb8 -","4","2","","Jian-Han Zhang; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study","Inorganic Chemistry","2011","50","","1973","1982","10.1021/ic102451n","","","0.71073","MoKα","","0.0677","0.0537","","","0.0992","0.1054","","","","","","1.006","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324557","11.845","0.004","6.9682","0.0019","20.253","0.007","90","","103.723","0.005","90","","1623.9","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B6 Ge3 O17 Rb4 -","- B6 Ge3 O17 Rb4 -","- B24 Ge12 O68 Rb16 -","4","1","","Jian-Han Zhang; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study","Inorganic Chemistry","2011","50","","1973","1982","10.1021/ic102451n","","","0.71073","MoKα","","0.0156","0.0152","","","0.0354","0.0355","","","","","","1.041","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324558","11.1389","0.0005","12.0044","0.0005","13.7105","0.0005","79.48","0.002","87.674","0.002","63.668","0.002","1613.77","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H29 Br2 Cl2 N3 O2 P Re -","- C29 H26 Br2 Cl2 N2 O2 P Re -","- C58 H52 Br4 Cl4 N4 O4 P2 Re2 -","2","1","","Pedro Traar; Jörg A. Schachner; Lisa Steiner; Anna Sachse; Manuel Volpe; Nadia C. Mösch-Zanetti","Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation","Inorganic Chemistry","2011","50","","1983","1990","10.1021/ic102455v","","","0.71073","MoKα","","0.027","0.0235","","","0.0594","0.0607","","","","","","1.042","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324559","10.9168","0.0005","17.8373","0.0009","17.4947","0.0009","90","","101.34","0.002","90","","3340.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Br2 N2 O3 P Re -","- C36 H34 Br2 N2 O3 P Re -","- C144 H136 Br8 N8 O12 P4 Re4 -","4","1","","Pedro Traar; Jörg A. Schachner; Lisa Steiner; Anna Sachse; Manuel Volpe; Nadia C. Mösch-Zanetti","Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation","Inorganic Chemistry","2011","50","","1983","1990","10.1021/ic102455v","","","0.71073","MoKα","","0.0402","0.025","","","0.0471","0.054","","","","","","1.107","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324560","16.4921","0.0007","10.8415","0.0005","18.6374","0.0009","90","","99.714","0.002","90","","3284.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Br2 N2 O3 P Re -","- C35 H34 Br2 N2 O3 P Re -","- C140 H136 Br8 N8 O12 P4 Re4 -","4","1","","Pedro Traar; Jörg A. Schachner; Lisa Steiner; Anna Sachse; Manuel Volpe; Nadia C. Mösch-Zanetti","Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation","Inorganic Chemistry","2011","50","","1983","1990","10.1021/ic102455v","","","0.71073","MoKα","","0.0448","0.027","","","0.052","0.059","","","","","","1.054","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324561","12.3618","0.0005","13.9869","0.0005","14.1942","0.0005","90","","94.647","0.001","90","","2446.16","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 N5 O6 Re S -","- C23 H21 F3 N5 O6 Re S -","- C92 H84 F12 N20 O24 Re4 S4 -","4","1","","Pedro Traar; Jörg A. Schachner; Lisa Steiner; Anna Sachse; Manuel Volpe; Nadia C. Mösch-Zanetti","Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation","Inorganic Chemistry","2011","50","","1983","1990","10.1021/ic102455v","","","0.71073","MoKα","","0.032","0.0242","","","0.0545","0.058","","","","","","1.16","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324562","7.8444","0.0016","10.133","0.002","27.976","0.006","90","","90.36","0.03","90","","2223.7","0.8","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Cl N5 O3 Re -","- C22 H21 Cl N5 O3 Re -","- C88 H84 Cl4 N20 O12 Re4 -","4","1","","Pedro Traar; Jörg A. Schachner; Lisa Steiner; Anna Sachse; Manuel Volpe; Nadia C. Mösch-Zanetti","Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation","Inorganic Chemistry","2011","50","","1983","1990","10.1021/ic102455v","","","0.71073","MoKα","","0.0227","0.0174","","","0.0385","0.0396","","","","","","1.009","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324563","10.304","0.0003","16.1853","0.0006","16.8848","0.0006","72.512","0.002","85.985","0.001","75.62","0.001","2601.6","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl4 N8 O6 Re2 -","- C57 H46 Cl4 N8 O6 Re2 -","- C114 H92 Cl8 N16 O12 Re4 -","2","1","","Pedro Traar; Jörg A. Schachner; Lisa Steiner; Anna Sachse; Manuel Volpe; Nadia C. Mösch-Zanetti","Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation","Inorganic Chemistry","2011","50","","1983","1990","10.1021/ic102455v","","","0.71073","MoKα","","0.0425","0.0257","","","0.0495","0.0559","","","","","","1.026","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324564","34.108","0.004","12.7947","0.0016","15.1945","0.0019","90","","107.172","0.005","90","","6335.3","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Cl4 N4 O3.5 Re -","- C31 H28 Cl4 N4 O3.5 Re -","- C248 H224 Cl32 N32 O28 Re8 -","8","1","","Pedro Traar; Jörg A. Schachner; Lisa Steiner; Anna Sachse; Manuel Volpe; Nadia C. Mösch-Zanetti","Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation","Inorganic Chemistry","2011","50","","1983","1990","10.1021/ic102455v","","","0.71073","MoKα","","0.0697","0.0552","","","0.1759","0.1963","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324565","15.073","0.0007","12.8745","0.0006","15.3274","0.0007","90","","109.515","0.002","90","","2803.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br2 N2 O2 P Re -","- C32 H26 Br2 N2 O2 P Re -","- C128 H104 Br8 N8 O8 P4 Re4 -","4","1","","Pedro Traar; Jörg A. Schachner; Lisa Steiner; Anna Sachse; Manuel Volpe; Nadia C. Mösch-Zanetti","Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation","Inorganic Chemistry","2011","50","","1983","1990","10.1021/ic102455v","","","0.71073","MoKα","","0.0408","0.0241","","","0.0438","0.0489","","","","","","1.054","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324566","9.421","0.002","12.321","0.002","14.167","0.003","105.777","0.007","99.126","0.009","95.234","0.007","1546.8","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H37 B Cl N6 Ni O S3 -","- C25 H37 B Cl N6 Ni O S3 -","- C50 H74 B2 Cl2 N12 Ni2 O2 S6 -","2","1","","Gernot Nuss; Gerald Saischek; Manuel Volpe; Karl Gatterer; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds","Inorganic Chemistry","2011","50","","1991","2001","10.1021/ic102494k","","","0.71073","MoKα","","0.0712","0.051","","","0.1222","0.1331","","","","","","1.144","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324567","23.5558","0.0008","29.1748","0.001","23.9342","0.0008","90","","110.287","0.002","90","","15428.1","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.33 H23 B0.67 Cl K0.5 N4 S2 -","- C16.3333 H23 B0.666667 Cl K0.5 N4 S2 -","- C392 H552 B16 Cl24 K12 N96 S48 -","24","3","","Gernot Nuss; Gerald Saischek; Manuel Volpe; Karl Gatterer; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds","Inorganic Chemistry","2011","50","","1991","2001","10.1021/ic102494k","","","0.71073","MoKα","","0.2129","0.112","","","0.3112","0.3392","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324568","9.6463","0.0005","22.9979","0.0012","16.2353","0.0008","90","","92.323","0.002","90","","3598.8","0.3","100","2","100","2","","","","","","","synthetical product","7","P 1 21/c 1","-P 2ybc","14","","tris(3-mercapto-6-tert-butyl-pyridazin-2-yl)borato-chloro-cobalt(I) dichloromethane solvate (1:2)","","- C26 H37 B Cl5 Co N6 S3 -","- C26 H37 B Cl5 Co N6 S3 -","- C104 H148 B4 Cl20 Co4 N24 S12 -","4","1","","Gernot Nuss; Gerald Saischek; Manuel Volpe; Karl Gatterer; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds","Inorganic Chemistry","2011","50","","1991","2001","10.1021/ic102494k","","","0.71073","MoKα","","0.0609","0.0429","","","0.0793","0.0914","","","","","","1.198","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324569","13.7045","0.0007","13.7045","0.0007","45.762","0.004","90","","90","","120","","7443.2","0.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.5 H25 B K N6 O3 S3 -","- C15 H16 B K N6 O1.5 S3 -","- C180 H192 B12 K12 N72 O18 S36 -","12","0.666667","","Gernot Nuss; Gerald Saischek; Manuel Volpe; Karl Gatterer; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds","Inorganic Chemistry","2011","50","","1991","2001","10.1021/ic102494k","","","0.71073","MoKα","","0.1161","0.0736","","","0.2273","0.2402","","","","","","1.059","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4324570","15.5146","0.0005","23.9519","0.0008","9.9032","0.0003","90","","105.385","0.001","90","","3548.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B Co N8 S4 -","- C32 H44 B Co N8 S4 -","- C128 H176 B4 Co4 N32 S16 -","4","1","","Gernot Nuss; Gerald Saischek; Manuel Volpe; Karl Gatterer; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds","Inorganic Chemistry","2011","50","","1991","2001","10.1021/ic102494k","","","0.71073","MoKα","","0.043","0.0316","","","0.0736","0.0804","","","","","","1.03","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324571","13.0774","0.0005","14.3589","0.0005","14.3931","0.0005","99.276","0.002","111.687","0.001","95.562","0.002","2442.2","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H31 B Cl9 Co N8 S4 -","- C42 H30 B Cl6 Co N8 S4 -","- C84 H60 B2 Cl12 Co2 N16 S8 -","2","1","","Gernot Nuss; Gerald Saischek; Manuel Volpe; Karl Gatterer; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds","Inorganic Chemistry","2011","50","","1991","2001","10.1021/ic102494k","","","0.71073","MoKα","","0.0587","0.0445","","","0.1064","0.1122","","","","","","1.084","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324572","21.7054","0.0006","14.6737","0.0004","20.0626","0.0005","90","","118.554","0.001","90","","5612.7","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 B Cl3 N8 Ni S4 -","- C21 H22 B Cl3 N8 Ni S4 -","- C168 H176 B8 Cl24 N64 Ni8 S32 -","8","1","","Gernot Nuss; Gerald Saischek; Manuel Volpe; Karl Gatterer; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds","Inorganic Chemistry","2011","50","","1991","2001","10.1021/ic102494k","","","0.71073","MoKα","","0.058","0.0402","","","0.1101","0.1157","","","","","","1.098","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324573","6.805","0.0003","13.9793","0.0007","15.9447","0.0008","90","","90","","90","","1516.81","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O5 V -","- C14 H12 O5 V -","- C56 H48 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0304","0.0284","","","0.0765","0.0778","","","","","","1.057","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324574","6.8023","0.0014","13.912","0.003","16.052","0.003","90","","90","","90","","1519.1","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.55 H10.07 O5 V -","- C12.554 H10.072 O5 V -","- C50.216 H40.288 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0425","0.0371","","","0.0992","0.102","","","","","","1.069","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324575","6.7884","0.0007","13.2305","0.0013","16.6357","0.0016","90","","90","","90","","1494.1","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.76 H8.76 O5 V -","- C12.764 H8.764 O5 V -","- C51.056 H35.056 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0368","0.0326","","","0.0872","0.0896","","","","","","1.034","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324576","6.8018","0.0004","13.5344","0.0009","16.4156","0.001","90","","90","","90","","1511.19","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 O5 V -","- C14 H10 O5 V -","- C56 H40 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0301","0.0282","","","0.081","0.0824","","","","","","1.057","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324577","6.8127","0.0003","13.7142","0.0007","16.0701","0.0008","90","","90","","90","","1501.44","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13.54 H15.09 O5 V -","- C13.544 H15.088 O5 V -","- C54.176 H60.352 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0298","0.0283","","","0.0765","0.0772","","","","","","1.046","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324578","6.827","0.008","13.965","0.016","16.073","0.018","90","","90","","90","","1532","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.85 H12.08 O5 V -","- C12.848 H12.08 O5 V -","- C51.392 H48.32 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0913","0.0535","","","0.1236","0.1381","","","","","","1.07","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324579","6.827","0.003","13.965","0.006","16.074","0.006","90","","90","","90","","1532.5","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.9 H12.16 O5 V -","- C12.902 H12.17 O5 V -","- C51.608 H48.68 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.1328","0.0839","","","0.1895","0.2105","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324580","19.126","0.004","19.592","0.004","24.351","0.005","90","","90","","90","","9125","3","301","2","301","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H47 F3 N4 O3 Pt S -","- C48 H47 F3 N4 O3 Pt S -","- C384 H376 F24 N32 O24 Pt8 S8 -","8","1","","Zuofeng Chen; Keith Man-Chung Wong; Eric Chi-Ho Kwok; Nianyong Zhu; Yanbing Zu; Vivian Wing-Wah Yam","Electrogenerated Chemiluminescence of Platinum(II) Alkynyl Terpyridine Complex with Peroxydisulfate as Coreactant","Inorganic Chemistry","2011","50","","2125","2132","10.1021/ic101119q","","","0.71073","MoKα","","0.0537","0.033","","","0.0646","0.076","","","","","","1.124","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324581","13.6624","0.0004","28.0073","0.0009","17.2399","0.0005","90","","107.578","0.002","90","","6288.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H86 Cu2 N4 O P2 -","- C67 H86 Cu2 N4 O P2 -","- C268 H344 Cu8 N16 O4 P8 -","4","1","","Peter Haack; Christian Limberg; Kallol Ray; Beatrice Braun; Uwe Kuhlmann; Peter Hildebrandt; Christian Herwig","Dinuclear Copper Complexes Based on Parallel β-Diiminato Binding Sites and their Reactions with O2: Evidence for a Cu-O-Cu Entity","Inorganic Chemistry","2011","50","","2133","2142","10.1021/ic101249k","","","0.71073","MoKα","","0.1082","0.0833","","","0.1868","0.2001","","","","","","1.07","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324582","16.0571","0.0008","16.0722","0.0009","16.1381","0.0009","98.674","0.004","105.632","0.004","119.08","0.004","3302.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H86 Cu2 N10 O -","- C73 H86 Cu2 N10 O -","- C146 H172 Cu4 N20 O2 -","2","1","","Peter Haack; Christian Limberg; Kallol Ray; Beatrice Braun; Uwe Kuhlmann; Peter Hildebrandt; Christian Herwig","Dinuclear Copper Complexes Based on Parallel β-Diiminato Binding Sites and their Reactions with O2: Evidence for a Cu-O-Cu Entity","Inorganic Chemistry","2011","50","","2133","2142","10.1021/ic101249k","","","0.71073","MoKα","","0.1369","0.0752","","","0.1596","0.1829","","","","","","0.992","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324583","16.8182","0.0009","15.6847","0.0009","27.1407","0.0009","90","","127.083","0.002","90","","5711.5","0.5","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C139 H146 Cu2 N4 O P2 -","- C139 H146 Cu2 N4 O P2 -","- C278 H292 Cu4 N8 O2 P4 -","2","0.5","","Peter Haack; Christian Limberg; Kallol Ray; Beatrice Braun; Uwe Kuhlmann; Peter Hildebrandt; Christian Herwig","Dinuclear Copper Complexes Based on Parallel β-Diiminato Binding Sites and their Reactions with O2: Evidence for a Cu-O-Cu Entity","Inorganic Chemistry","2011","50","","2133","2142","10.1021/ic101249k","","","0.71073","MoKα","","0.0428","0.0362","","","0.0907","0.0937","","","","","","1.018","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324584","6.866","0.0011","22.354","0.003","9.582","0.0015","90","","90.272","0.004","90","","1470.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Co N2 O10 -","- C8 H20 Co N2 O10 -","- C32 H80 Co4 N8 O40 -","4","1","","Paul J. Calderone; Paul M. Forster; Lauren A. Borkowski; Simon J. Teat; Mikhail Feygenson; Meigan C. Aronson; John B. Parise","Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal-Formate Frameworks","Inorganic Chemistry","2011","50","","2159","2167","10.1021/ic1015548","","","0.71073","MoKα","","0.1964","0.0491","","","0.0785","0.1079","","","","","","0.651","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324585","6.879","0.0004","22.363","0.0012","9.522","0.0005","90","","90.362","0.001","90","","1464.79","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 N2 Ni O10 -","- C8 H20 N2 Ni O10 -","- C32 H80 N8 Ni4 O40 -","4","1","","Paul J. Calderone; Paul M. Forster; Lauren A. Borkowski; Simon J. Teat; Mikhail Feygenson; Meigan C. Aronson; John B. Parise","Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal-Formate Frameworks","Inorganic Chemistry","2011","50","","2159","2167","10.1021/ic1015548","","","0.71073","MoKα","","0.0461","0.0311","","","0.0783","0.0908","","","","","","0.793","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324586","8.9246","0.0009","8.702","0.0009","9.2303","0.001","90","","98.405","0.002","90","","709.14","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Mn N2 O10 -","- C8 H20 Mn N2 O10 -","- C16 H40 Mn2 N4 O20 -","2","0.5","","Paul J. Calderone; Paul M. Forster; Lauren A. Borkowski; Simon J. Teat; Mikhail Feygenson; Meigan C. Aronson; John B. Parise","Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal-Formate Frameworks","Inorganic Chemistry","2011","50","","2159","2167","10.1021/ic1015548","","","0.7749","synchrotron","","0.0239","0.0204","","","0.0527","0.0545","","","","","","1.077","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324587","8.1298","0.0008","16.1312","0.0015","16.7808","0.0016","90","","90","","90","","2200.7","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H15 Co N O8 -","- C6 H15 Co N O8 -","- C48 H120 Co8 N8 O64 -","8","1","","Paul J. Calderone; Paul M. Forster; Lauren A. Borkowski; Simon J. Teat; Mikhail Feygenson; Meigan C. Aronson; John B. Parise","Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal-Formate Frameworks","Inorganic Chemistry","2011","50","","2159","2167","10.1021/ic1015548","","","0.7749","synchrotron","","0.0298","0.0262","","","0.072","0.077","","","","","","0.632","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324588","8.27","0.0007","16.2939","0.0014","17.0155","0.0015","90","","90","","90","","2292.8","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H15 Mn N O8 -","- C6 H15 Mn N O8 -","- C48 H120 Mn8 N8 O64 -","8","1","","Paul J. Calderone; Paul M. Forster; Lauren A. Borkowski; Simon J. Teat; Mikhail Feygenson; Meigan C. Aronson; John B. Parise","Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal-Formate Frameworks","Inorganic Chemistry","2011","50","","2159","2167","10.1021/ic1015548","","","0.7749","synchrotron","","0.0303","0.0263","","","0.0715","0.0757","","","","","","0.731","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324589","10.0646","0.0002","10.7649","0.0002","17.6655","0.0003","101.41","0.002","92.067","0.002","91.196","0.002","1874.14","0.06","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H32 Au N11 O6 Pt Tb -","- C31 H32 Au N11 O6 Pt Tb -","- C62 H64 Au2 N22 O12 Pt2 Tb2 -","2","1","","LeAnn Ladner; Tu Ngo; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Solid-State Photoluminescence Sensitization of Tb3+ by Novel Au2Pt2 and Au2Pt4 Cyanide Clusters","Inorganic Chemistry","2011","50","","2199","2206","10.1021/ic101836a","","","0.71073","MoKα","","0.029","0.0227","","","0.0539","0.0548","","","","","","1.019","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324590","11.97056","0.00014","11.97056","0.00014","17.8224","0.0003","90","","90","","90","","2553.85","0.06","290","2","290","2","","","","","","","","8","P 42/n n m :2","-P 4ac 2bc","134","","","","- C10 H12 Au K2 N10 O6 Pt2 Tb -","- C10 H12 Au K2 N10 O6 Pt2 Tb -","- C40 H48 Au4 K8 N40 O24 Pt8 Tb4 -","4","0.25","","LeAnn Ladner; Tu Ngo; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Solid-State Photoluminescence Sensitization of Tb3+ by Novel Au2Pt2 and Au2Pt4 Cyanide Clusters","Inorganic Chemistry","2011","50","","2199","2206","10.1021/ic101836a","","","0.71073","MoKα","","0.0251","0.0185","","","0.0428","0.0438","","","","","","1.043","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324591","12.5916","0.0013","31.223","0.003","8.4416","0.0009","90","","120.802","0.002","90","","2850.7","0.5","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","cis-[Pt(CH2C6H4Cl)2(PEt3)2]","","","- C26 H42 Cl2 P2 Pt -","- C26 H42 Cl2 P2 Pt -","- C104 H168 Cl8 P8 Pt4 -","4","1","","Emanuela Guido; Giuseppina D'Amico; Nino Russo; Emilia Sicilia; Silvia Rizzato; Alberto Albinati; Andrea Romeo; M. Rosaria Plutino; Raffaello Romeo","Mechanistic Insight into Protonolysis and Cis-Trans Isomerization of Benzylplatinum(II) Complexes Assisted by Weak Ligand-to-Metal Interactions. A Combined Kinetic and DFT Study","Inorganic Chemistry","2011","50","","2224","2239","10.1021/ic101879s","","","0.71073","MoKα","","0.0352","0.027","","","0.0601","0.0645","","","","","","1.047","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324592","16.596","0.005","10.149","0.005","17.844","0.005","90","0.005","100.179","0.005","90","0.005","2958.2","1.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-[Pt(CH2C6H4CH3)2(PEt3)2]","","","- C28 H48 P2 Pt -","- C28 H48 P2 Pt -","- C112 H192 P8 Pt4 -","4","0.5","","Emanuela Guido; Giuseppina D'Amico; Nino Russo; Emilia Sicilia; Silvia Rizzato; Alberto Albinati; Andrea Romeo; M. Rosaria Plutino; Raffaello Romeo","Mechanistic Insight into Protonolysis and Cis-Trans Isomerization of Benzylplatinum(II) Complexes Assisted by Weak Ligand-to-Metal Interactions. A Combined Kinetic and DFT Study","Inorganic Chemistry","2011","50","","2224","2239","10.1021/ic101879s","","","0.71073","MoKα","","0.0191","0.0174","","","0.0434","0.0442","","","","","","1.113","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324593","13.5518","0.0013","16.3837","0.0015","33.135","0.003","90","","90","","90","","7356.9","1.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H98 Cl3 Co N12 O34 Pd6 S6 -","- C36 H78 Cl3 Co N12 O34 Pd6 S6 -","- C144 H312 Cl12 Co4 N48 O136 Pd24 S24 -","4","1","","Yusuke Hirai; Yoshinori Nagao; Asako Igashira-Kamiyama; Takumi Konno","Enantioselective/Anion-Selective Incorporation of Tris(ethylenediamine) Complexes into 2D Coordination Spaces between Tripalladium(II) Supramolecular Layers withd-Penicillaminate","Inorganic Chemistry","2011","50","","2040","2042","10.1021/ic1018983","","","0.71073","MoKα","","0.0384","0.03","","","0.0599","0.0612","","","","","","0.911","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324594","13.586","0.01","32.547","0.016","34.92","0.03","90","","90","","90","","15441","19","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H103 Cl3 Co N12 O36.5 Pd6 S6 -","- C36 H78 Cl3 Co N12 O35.75 Pd6 S6 -","- C288 H624 Cl24 Co8 N96 O286 Pd48 S48 -","8","2","","Yusuke Hirai; Yoshinori Nagao; Asako Igashira-Kamiyama; Takumi Konno","Enantioselective/Anion-Selective Incorporation of Tris(ethylenediamine) Complexes into 2D Coordination Spaces between Tripalladium(II) Supramolecular Layers withd-Penicillaminate","Inorganic Chemistry","2011","50","","2040","2042","10.1021/ic1018983","","","0.71075","MoKα","","0.0645","0.0379","","","0.0628","0.0663","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324595","13.6618","0.001","16.4672","0.0013","33.215","0.003","90","","90","","90","","7472.4","1.1","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H98 Cl3 N12 O34 Pd6 Rh S6 -","- C36 H78 Cl3 N12 O34 Pd6 Rh S6 -","- C144 H312 Cl12 N48 O136 Pd24 Rh4 S24 -","4","1","","Yusuke Hirai; Yoshinori Nagao; Asako Igashira-Kamiyama; Takumi Konno","Enantioselective/Anion-Selective Incorporation of Tris(ethylenediamine) Complexes into 2D Coordination Spaces between Tripalladium(II) Supramolecular Layers withd-Penicillaminate","Inorganic Chemistry","2011","50","","2040","2042","10.1021/ic1018983","","","0.71075","MoKα","","0.0363","0.0319","","","0.0811","0.0833","","","","","","1.079","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324596","16.6243","0.0003","18.924","0.0007","10.4192","0.0002","90","","90","","90","","3277.86","0.15","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H38 N2 O5 Sn W -","- C31 H38 N2 O5 Sn W -","- C124 H152 N8 O20 Sn4 W4 -","4","0.5","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.0637","0.0285","","","0.0486","0.0542","","","","","","0.913","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324597","13.4655","0.0016","11.7855","0.0013","19.163","0.002","90","","102.069","0.002","90","","2973.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Fe2 N4 O8 Sn2 -","- C60 H76 Fe2 N4 O8 Sn2 -","- C120 H152 Fe4 N8 O16 Sn4 -","2","0.5","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.0773","0.0404","","","0.0869","0.1015","","","","","","1.02","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324598","9.7677","0.0003","18.7855","0.0006","10.3823","0.0003","90","","112.113","0.001","90","","1764.93","0.09","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H38 Fe2 N2 O8 Sn -","- C34 H38 Fe2 N2 O8 Sn -","- C68 H76 Fe4 N4 O16 Sn2 -","2","0.5","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.033","0.03","","","0.0769","0.0837","","","","","","0.629","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324599","9.707","0.0004","36.8631","0.0015","9.7894","0.0004","90","","101.05","0.002","90","","3438","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34.5 H44 Fe N2 O4 Sn -","- C34.5 H44 Fe N2 O4 Sn -","- C138 H176 Fe4 N8 O16 Sn4 -","4","2","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.1253","0.0576","","","0.0922","0.1102","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324600","17.6709","0.0005","21.4182","0.0006","22.3233","0.0006","61.763","0.001","89.708","0.001","81.828","0.001","7349.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Fe2 N2 O8 Sn -","- C35 H40 Fe2 N2 O8 Sn -","- C280 H320 Fe16 N16 O64 Sn8 -","8","4","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.0641","0.0319","","","0.069","0.0788","","","","","","1.035","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324601","19.8884","0.0006","26.9543","0.0008","19.0243","0.0006","90","","92.934","0.002","90","","10185.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H130 N4 P2 Pt2 Sn2 -","- C112 H130 N4 P2 Pt2 Sn2 -","- C448 H520 N16 P8 Pt8 Sn8 -","4","0.5","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.0367","0.0243","","","0.0601","0.0721","","","","","","1.121","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324602","23.3287","0.0006","6.4072","0.0002","21.6934","0.0005","90","","117.69","0.001","90","","2871.19","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N2 Sn -","- C12 H26 N2 Sn -","- C96 H208 N16 Sn8 -","8","2","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.0444","0.0367","","","0.0871","0.0927","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324603","17.9372","0.0006","9.895","0.0003","12.1219","0.0005","90","","111.787","0.002","90","","1997.82","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Fe N2 O4 Sn -","- C16 H26 Fe N2 O4 Sn -","- C64 H104 Fe4 N8 O16 Sn4 -","4","0.5","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.0212","0.0195","","","0.0508","0.0518","","","","","","1.013","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324604","6.6047","0.0008","17.932","0.002","17.704","0.002","90","","94.222","0.002","90","","2091.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Mn N2 O2 Sn -","- C19 H31 Mn N2 O2 Sn -","- C76 H124 Mn4 N8 O8 Sn4 -","4","1","","Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass","Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study","Inorganic Chemistry","2011","50","","2252","2263","10.1021/ic101920x","","","0.71073","MoKα","","0.0347","0.0264","","","0.0731","0.0874","","","","","","1.072","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324605","11.868","0.003","16.265","0.005","16.379","0.005","108.099","0.002","102.855","0.004","101.216","0.002","2808.9","1.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H48 Co3 N2 O24 -","- C70 H48 Co3 N2 O24 -","- C70 H48 Co3 N2 O24 -","1","0.5","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.1217","0.0836","","","0.2376","0.2562","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324606","11.775","0.003","16.113","0.005","16.346","0.005","108.244","0.002","101.663","0.004","102.559","0.002","2750.1","1.4","173","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H48 Mn3 N10 O32 -","- C102 H48 Mn3 N10 O32 -","- C102 H48 Mn3 N10 O32 -","1","0.5","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.0849","0.0707","","","0.1853","0.1984","","","","","","1.048","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324607","11.97","0.003","16.341","0.005","16.436","0.005","107.913","0.002","103.4","0.004","100.533","0.002","2861.5","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H48 Cd3 N2 O24 -","- C70 H48 Cd3 N2 O24 -","- C70 H48 Cd3 N2 O24 -","1","0.5","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.0575","0.046","","","0.1442","0.1535","","","","","","1.002","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324608","10.6762","0.0016","28.242","0.005","34.079","0.006","90","","90","","90","","10275","3","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C94 H48 N8 O37 Y3 -","- C94 H48 N8 O37 Y3 -","- C376 H192 N32 O148 Y12 -","4","0.5","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.103","0.0852","","","0.2349","0.2585","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324609","10.7029","0.0019","28.176","0.005","34.014","0.006","90","","90","","90","","10257","3","78","2","78","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C90 H102 Dy3 N7 O36 -","- C90 H102 Dy3 N7 O36.001 -","- C360 H408 Dy12 N28 O144.004 -","4","0.5","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.0808","0.0768","","","0.1572","0.1592","","","","","","1.011","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324610","19.651","0.005","38.598","0.008","21.519","0.005","90","","117.068","0.004","90","","14534","6","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 In2 N0 O14 -","- C33 H24 In2 O14 -","- C264 H192 In16 O112 -","8","1","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.0881","0.0635","","","0.181","0.1972","","","","","","1.034","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324611","7.008","0.002","30.224","0.009","24.257","0.007","90","","90","","90","","5138","3","293.15","","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C49 H42 N4 O16 Pb2 -","- C49 H24 N4 O16 Pb2 -","- C196 H96 N16 O64 Pb8 -","4","0.5","","Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao","Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties","Inorganic Chemistry","2011","50","","2264","2271","10.1021/ic1019229","","","0.71073","MoKα","","0.0708","0.05","","","0.1116","0.1231","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324612","10.2525","0.0005","10.2525","0.0005","17.3972","0.0013","90","","90","","120","","1583.69","0.16","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Ammonium uranyl germanate hydroxide","","- Ge2 H N O38 U11 -","- Ge2 N O38 U11 -","- Ge4 N2 O76 U22 -","2","0.166667","","Jessica M. Morrison; Laura J. Moore-Shay; Peter C. Burns","U(VI) Uranyl Cation-Cation Interactions in Framework Germanates","Inorganic Chemistry","2011","50","","2272","2277","10.1021/ic1019444","","","0.71073","MoKα","","0.0383","0.0349","","","0.096","0.0977","","","","","","1.199","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324613","10.2012","0.0005","10.2012","0.0005","17.157","0.0012","90","","90","","120","","1546.23","0.15","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Barium uranyl germanate","","- Ba Ge2 O38 U11 -","- Ba Ge2 O38 U11 -","- Ba2 Ge4 O76 U22 -","2","0.166667","","Jessica M. Morrison; Laura J. Moore-Shay; Peter C. Burns","U(VI) Uranyl Cation-Cation Interactions in Framework Germanates","Inorganic Chemistry","2011","50","","2272","2277","10.1021/ic1019444","","","0.71073","MoKα","","0.0313","0.0267","","","0.075","0.0772","","","","","","1.14","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324614","10.226","0.004","10.226","0.004","17.15","0.009","90","","90","","120","","1553.1","1.2","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Potassium uranyl germanmate hydroxide","","- Ge2 H K O38 U11 -","- Ge2 K O38 U11 -","- Ge4 K2 O76 U22 -","2","0.166667","","Jessica M. Morrison; Laura J. Moore-Shay; Peter C. Burns","U(VI) Uranyl Cation-Cation Interactions in Framework Germanates","Inorganic Chemistry","2011","50","","2272","2277","10.1021/ic1019444","","","0.71073","MoKα","","0.0307","0.0232","","","0.0561","0.0593","","","","","","1.006","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324615","10.2668","0.0005","10.2668","0.0005","17.0558","0.0011","90","","90","","120","","1556.94","0.15","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Lithium uranyl germanate hydroxide","","- Ge2 Li3 O39 U11 -","- Ge2 Li6 O39 U11 -","- Ge4 Li12 O78 U22 -","2","0.166667","","Jessica M. Morrison; Laura J. Moore-Shay; Peter C. Burns","U(VI) Uranyl Cation-Cation Interactions in Framework Germanates","Inorganic Chemistry","2011","50","","2272","2277","10.1021/ic1019444","","","0.71073","MoKα","","0.0287","0.0236","","","0.0521","0.0536","","","","","","1.201","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324616","5.0696","0.0005","9.6081","0.001","12.5328","0.0013","89.12","0.002","85.508","0.001","76.862","0.002","592.66","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 Co3 N4 O20 P4 -","- C10 H26 Co3 N4 O20 P4 -","- C10 H26 Co3 N4 O20 P4 -","1","0.5","","Deng-Ke Cao; Mei-Juan Liu; Jian Huang; Song-Song Bao; Li-Min Zheng","Cobalt and Manganese Diphosphonates with One-, Two-, and Three-Dimensional Structures and Field-Induced Magnetic Transitions","Inorganic Chemistry","2011","50","","2278","2287","10.1021/ic1019668","","","0.71073","MoKα","","0.061","0.0383","","","0.0651","0.0702","","","","","","0.997","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324617","12.496","0.003","9.469","0.002","19.485","0.004","90","","90.14","","90","","2305.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Co3 N4 O18 P4 -","- C10 H22 Co3 N4 O18 P4 -","- C40 H88 Co12 N16 O72 P16 -","4","0.5","","Deng-Ke Cao; Mei-Juan Liu; Jian Huang; Song-Song Bao; Li-Min Zheng","Cobalt and Manganese Diphosphonates with One-, Two-, and Three-Dimensional Structures and Field-Induced Magnetic Transitions","Inorganic Chemistry","2011","50","","2278","2287","10.1021/ic1019668","","","0.71073","MoKα","","0.0515","0.0363","","","0.0894","0.1017","","","","","","1.06","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324618","5.4816","0.0009","15.899","0.003","12.6013","0.0019","90","","99.999","0.003","90","","1081.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Mn N2 O8 P2 -","- C5 H10 Mn N2 O8 P2 -","- C20 H40 Mn4 N8 O32 P8 -","4","1","","Deng-Ke Cao; Mei-Juan Liu; Jian Huang; Song-Song Bao; Li-Min Zheng","Cobalt and Manganese Diphosphonates with One-, Two-, and Three-Dimensional Structures and Field-Induced Magnetic Transitions","Inorganic Chemistry","2011","50","","2278","2287","10.1021/ic1019668","","","0.71073","MoKα","","0.0597","0.0431","","","0.0986","0.1038","","","","","","1.04","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324619","18.9705","0.0017","19.4783","0.0018","12.0751","0.0011","90","","90","","90","","4461.9","0.7","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H39 Co3 N4 O12 -","- C32 H39 Co3 N4 O12 -","- C128 H156 Co12 N16 O48 -","4","0.5","","Qing Chen; Jian-Bin Lin; Wei Xue; Ming-Hua Zeng; Xiao-Ming Chen","A Porous Coordination Polymer Assembled from 8-Connected {CoII3(OH)} Clusters and Isonicotinate: Multiple Active Metal Sites, Apical Ligand Substitution, H2 Adsorption, and Magnetism","Inorganic Chemistry","2011","50","","2321","2328","10.1021/ic102015g","","","0.71073","MoKα","","0.0905","0.0886","","","0.2401","0.2417","","","","","","1.077","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324620","18.986","0.004","19.683","0.004","12.081","0.002","90","","90","","90","","4514.7","1.5","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H35 Co3 N5 O15 -","- C30 H35 Co3 N5 O15 -","- C120 H140 Co12 N20 O60 -","4","0.5","","Qing Chen; Jian-Bin Lin; Wei Xue; Ming-Hua Zeng; Xiao-Ming Chen","A Porous Coordination Polymer Assembled from 8-Connected {CoII3(OH)} Clusters and Isonicotinate: Multiple Active Metal Sites, Apical Ligand Substitution, H2 Adsorption, and Magnetism","Inorganic Chemistry","2011","50","","2321","2328","10.1021/ic102015g","","","0.71073","MoKα","","0.1006","0.0882","","","0.2559","0.2653","","","","","","1.075","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324621","18.7824","0.0012","19.6842","0.0012","12.049","0.0007","90","","90","","90","","4454.7","0.5","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H29 Co3 N5 O15 -","- C27 H29 Co3 N5 O15 -","- C108 H116 Co12 N20 O60 -","4","0.5","","Qing Chen; Jian-Bin Lin; Wei Xue; Ming-Hua Zeng; Xiao-Ming Chen","A Porous Coordination Polymer Assembled from 8-Connected {CoII3(OH)} Clusters and Isonicotinate: Multiple Active Metal Sites, Apical Ligand Substitution, H2 Adsorption, and Magnetism","Inorganic Chemistry","2011","50","","2321","2328","10.1021/ic102015g","","","0.71073","MoKα","","0.0966","0.0815","","","0.2508","0.264","","","","","","1.042","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324622","18.9542","0.0019","19.697","0.002","12.0228","0.0013","90","","90","","90","","4488.6","0.8","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Co3 N5 O15 -","- C30 H34 Co3 N5 O15 -","- C120 H136 Co12 N20 O60 -","4","0.5","","Qing Chen; Jian-Bin Lin; Wei Xue; Ming-Hua Zeng; Xiao-Ming Chen","A Porous Coordination Polymer Assembled from 8-Connected {CoII3(OH)} Clusters and Isonicotinate: Multiple Active Metal Sites, Apical Ligand Substitution, H2 Adsorption, and Magnetism","Inorganic Chemistry","2011","50","","2321","2328","10.1021/ic102015g","","","0.71073","MoKα","","0.0962","0.0867","","","0.259","0.2709","","","","","","1.009","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324623","14.631","0.006","15.371","0.006","17.709","0.007","90","","98.187","0.007","90","","3942","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cu2 N8 O13 S3 -","- C35 H30 Cu2 N8 O13 S3 -","- C140 H120 Cu8 N32 O52 S12 -","4","1","","Yi-Min Jiang; Zheng Yin; Kun-Huan He; Ming-Hua Zeng; Mohamedally Kurmoo","Reversible Shuttle Action upon Dehydration and Rehydration Processes in Cationic Coordinatively-Bonded (4,4) Square-Grid Nets Threaded by Supramolecular Bonded Anions, {[CuII(4,4'-bpy)2(H2O)][CuII(2-pySO3)3](NO3)}.H2O","Inorganic Chemistry","2011","50","","2329","2333","10.1021/ic102020g","","","0.71073","MoKα","","0.1746","0.1279","","","0.2899","0.3101","","","","","","1.188","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324624","14.8167","0.0014","15.4781","0.0014","17.7192","0.0016","90","","99.877","0.001","90","","4003.4","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Cu2 N8 O14 S3 -","- C35 H32 Cu2 N8 O14 S3 -","- C140 H128 Cu8 N32 O56 S12 -","4","1","","Yi-Min Jiang; Zheng Yin; Kun-Huan He; Ming-Hua Zeng; Mohamedally Kurmoo","Reversible Shuttle Action upon Dehydration and Rehydration Processes in Cationic Coordinatively-Bonded (4,4) Square-Grid Nets Threaded by Supramolecular Bonded Anions, {[CuII(4,4'-bpy)2(H2O)][CuII(2-pySO3)3](NO3)}.H2O","Inorganic Chemistry","2011","50","","2329","2333","10.1021/ic102020g","","","0.71073","MoKα","","0.0764","0.0459","","","0.1068","0.123","","","","","","1.018","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324625","14.734","0.005","15.427","0.006","17.592","0.006","90","","99.584","0.007","90","","3943","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Cu2 N8 O14 S3 -","- C35 H32 Cu2 N8 O14 S3 -","- C140 H128 Cu8 N32 O56 S12 -","4","1","","Yi-Min Jiang; Zheng Yin; Kun-Huan He; Ming-Hua Zeng; Mohamedally Kurmoo","Reversible Shuttle Action upon Dehydration and Rehydration Processes in Cationic Coordinatively-Bonded (4,4) Square-Grid Nets Threaded by Supramolecular Bonded Anions, {[CuII(4,4'-bpy)2(H2O)][CuII(2-pySO3)3](NO3)}.H2O","Inorganic Chemistry","2011","50","","2329","2333","10.1021/ic102020g","","","0.71073","MoKα","","0.072","0.0418","","","0.1082","0.1257","","","","","","1.033","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324626","12.3015","0.0009","18.2647","0.0012","14.5551","0.0007","90","","111.975","0.004","90","","3032.7","0.3","298","2","298","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","AsmeimCO","","","- C29 H26 As Cl4 Ir N2 O -","- C29 H26 As Cl4 Ir N2 O -","- C116 H104 As4 Cl16 Ir4 N8 O4 -","4","1","","Damian E. Bikiel; Estefanía González Solveyra; Florencia Di Salvo; Humberto M. S. Milagre; Marcos N. Eberlin; Rodrigo S. Corrêa; Javier Ellena; Darío A. Estrin; Fabio Doctorovich","Tetrachlorocarbonyliridates: Water-Soluble Carbon Monoxide Releasing Molecules Rate-Modulated by the Sixth Ligand","Inorganic Chemistry","2011","50","","2334","2345","10.1021/ic102038v","","x-ray","0.71073","MoKα","","0.0691","0.0398","","","0.082","0.0906","","","","","","1.036","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324627","11.0493","0.0002","12.0623","0.0002","12.5596","0.0002","111.016","0.001","95.379","0.001","111.648","0.001","1402.22","0.05","298","2","298","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Asco_aquo","","","- C25 H24 As Cl4 Ir O3 -","- C25 H24 As Cl4 Ir O3 -","- C50 H48 As2 Cl8 Ir2 O6 -","2","1","","Damian E. Bikiel; Estefanía González Solveyra; Florencia Di Salvo; Humberto M. S. Milagre; Marcos N. Eberlin; Rodrigo S. Corrêa; Javier Ellena; Darío A. Estrin; Fabio Doctorovich","Tetrachlorocarbonyliridates: Water-Soluble Carbon Monoxide Releasing Molecules Rate-Modulated by the Sixth Ligand","Inorganic Chemistry","2011","50","","2334","2345","10.1021/ic102038v","","x-ray","0.71073","MoKα","","0.0443","0.0348","","","0.0706","0.0758","","","","","","1.095","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324628","21.9176","0.0004","21.9176","0.0004","36.9948","0.0008","90","","90","","90","","17771.6","0.6","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","[K-crypt]3[Ge9Tl].2py","","","- C64 H118 Ge9 K3 N8 O18 Tl -","- C64 H118 Ge9 K3 N8 O18 Tl -","- C512 H944 Ge72 K24 N64 O144 Tl8 -","8","1","","Daniel Rios; Miriam M. Gillett-Kunnath; Jacob D. Taylor; Allen G. Oliver; Slavi C. Sevov","Addition of a Thallium Vertex to Empty and Centered Nine-Atom Deltahedral Zintl Ions of Germanium and Tin","Inorganic Chemistry","2011","50","","2373","2377","10.1021/ic102152e","","","0.71073","MoKα","","0.0339","0.0301","","","0.0792","0.0816","","","","","","1.087","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324629","28.0012","0.0014","23.3701","0.001","27.6515","0.0014","90","","93.561","0.003","90","","18060","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(K-crypt)6(Ni@Sn9)2(en)3(tol)","","- C121 H249 K6 N18 Ni2 O36 Sn18 -","- C121 H249 K6 N18 Ni2 O36 Sn18 -","- C484 H996 K24 N72 Ni8 O144 Sn72 -","4","1","","Daniel Rios; Miriam M. Gillett-Kunnath; Jacob D. Taylor; Allen G. Oliver; Slavi C. Sevov","Addition of a Thallium Vertex to Empty and Centered Nine-Atom Deltahedral Zintl Ions of Germanium and Tin","Inorganic Chemistry","2011","50","","2373","2377","10.1021/ic102152e","","","0.71073","MoKα","","0.0913","0.0582","","","0.1462","0.1565","","","","","","1.107","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324630","28.2574","0.0011","23.4554","0.0009","27.7372","0.001","90","","93.236","0.001","90","","18354.6","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C112 H232 K6 N16 Ni2 O36 Sn18 Tl0.88 -","- C112 H232 K6 N16 Ni2 O36 Sn18 Tl0.8753 -","- C448 H928 K24 N64 Ni8 O144 Sn72 Tl3.5012 -","4","1","","Daniel Rios; Miriam M. Gillett-Kunnath; Jacob D. Taylor; Allen G. Oliver; Slavi C. Sevov","Addition of a Thallium Vertex to Empty and Centered Nine-Atom Deltahedral Zintl Ions of Germanium and Tin","Inorganic Chemistry","2011","50","","2373","2377","10.1021/ic102152e","","","0.71073","MoKα","","0.0823","0.0676","","","0.1641","0.1727","","","","","","1.077","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324631","9.0221","0.0008","10.469","0.0009","22.543","0.002","94.647","0.011","98.548","0.011","96.76","0.011","2080.4","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H48 Cl3 Fe N10 O P -","- C39 H48 Cl3 Fe N10 O P -","- C78 H96 Cl6 Fe2 N20 O2 P2 -","2","1","","Lok H. Tong; Laure Guénée; Alan F. Williams","Pentasubstituted Ferrocene and Dirhodium(II) Tetracarboxylate as Building Blocks for Discrete Fullerene-Like and Extended Supramolecular Structures","Inorganic Chemistry","2011","50","","2450","2457","10.1021/ic1021565","","","0.71069","MoKα","","0.0941","0.0474","","","0.1005","0.109","","","","","","0.846","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324632","19.152","0.002","30.145","0.004","22.918","0.003","90","","92.807","0.01","90","","13216","3","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H60 Fe N11 O17 P Rh4 -","- C61 H60 Fe N11 O17 P Rh4 -","- C244 H240 Fe4 N44 O68 P4 Rh16 -","4","1","","Lok H. Tong; Laure Guénée; Alan F. Williams","Pentasubstituted Ferrocene and Dirhodium(II) Tetracarboxylate as Building Blocks for Discrete Fullerene-Like and Extended Supramolecular Structures","Inorganic Chemistry","2011","50","","2450","2457","10.1021/ic1021565","","","0.71069","MoKα","","0.2287","0.1256","","","0.2979","0.3372","","","","","","0.79","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324633","9.789","0.003","24.528","0.008","16.262","0.005","90","","106.721","0.005","90","","3739","2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H49 N5 Ni O3 -","- C41 H49 N5 Ni O3 -","- C164 H196 N20 Ni4 O12 -","4","2","","Yuanbiao Huang; Tianfu Liu; Jingxiang Lin; Jian Lü; Zujin Lin; Rong Cao","Homochiral Nickel Coordination Polymers Based on Salen(Ni) Metalloligands: Synthesis, Structure, and Catalytic Alkene Epoxidation","Inorganic Chemistry","2011","50","","2191","2198","10.1021/ic102181h","","","0.71073","MoKα","","0.089","0.0524","","","0.0989","0.1164","","","","","","0.992","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324634","27.486","0.004","11.0171","0.0018","26.229","0.004","90","","90","","90","","7943","2","173","2","173","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C93 H99 N9 Ni3 O9 -","- C93 H99 N9 Ni3 O9 -","- C372 H396 N36 Ni12 O36 -","4","1","","Yuanbiao Huang; Tianfu Liu; Jingxiang Lin; Jian Lü; Zujin Lin; Rong Cao","Homochiral Nickel Coordination Polymers Based on Salen(Ni) Metalloligands: Synthesis, Structure, and Catalytic Alkene Epoxidation","Inorganic Chemistry","2011","50","","2191","2198","10.1021/ic102181h","","","0.71073","MoKα","","0.071","0.0592","","","0.1686","0.1821","","","","","","1.211","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324635","27.514","0.003","11.0404","0.0015","26.236","0.004","90","","90","","90","","7969.6","1.8","298","2","298","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C93 H99 N9 Ni3 O9 -","- C93 H99 N9 Ni3 O9 -","- C372 H396 N36 Ni12 O36 -","4","1","","Yuanbiao Huang; Tianfu Liu; Jingxiang Lin; Jian Lü; Zujin Lin; Rong Cao","Homochiral Nickel Coordination Polymers Based on Salen(Ni) Metalloligands: Synthesis, Structure, and Catalytic Alkene Epoxidation","Inorganic Chemistry","2011","50","","2191","2198","10.1021/ic102181h","","","0.71073","MoKα","","0.0854","0.0655","","","0.1936","0.223","","","","","","1.038","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324636","18.0224","0.0004","28.5223","0.0006","28.2868","0.0007","90","","90","","90","","14540.6","0.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C154 H110 Ag6 Au8 F12 O3 P6 -","- C154 H110 Ag6 Au8 F12 O3 P6 -","- C616 H440 Ag24 Au32 F48 O12 P24 -","4","0.5","","Igor O. Koshevoy; Chia-Li Lin; Antti J. Karttunen; Janne Jänis; Matti Haukka; Sergey P. Tunik; Pi-Tai Chou; Tapani A. Pakkanen","Stepwise 1D Growth of Luminescent Au(I)-Ag(I) Phosphine-Alkynyl Clusters: Synthesis, Photophysical, and Theoretical Studies","Inorganic Chemistry","2011","50","","2395","2403","10.1021/ic102204h","","","0.71073","MoKα","","0.0686","0.036","","","0.0777","0.0891","","","","","","1.03","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324637","16.367","0.002","25.136","0.003","30.533","0.004","101.633","0.005","90.727","0.005","99.28","0.005","12129","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C240 H156 Ag10 Au12 P4 -","- C240 H156 Ag10 Au12 P4 -","- C480 H312 Ag20 Au24 P8 -","2","1","","Igor O. Koshevoy; Chia-Li Lin; Antti J. Karttunen; Janne Jänis; Matti Haukka; Sergey P. Tunik; Pi-Tai Chou; Tapani A. Pakkanen","Stepwise 1D Growth of Luminescent Au(I)-Ag(I) Phosphine-Alkynyl Clusters: Synthesis, Photophysical, and Theoretical Studies","Inorganic Chemistry","2011","50","","2395","2403","10.1021/ic102204h","","","0.71073","MoKα","","0.1854","0.1164","","","0.3041","0.3499","","","","","","1.114","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324638","9.5126","0.001","24.37","0.003","11.7544","0.0012","90","","111.403","0.002","90","","2537","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cd N4 O7 -","- C26 H20 Cd N4 O7 -","- C104 H80 Cd4 N16 O28 -","4","1","","Jinsong Hu; Liangfang Huang; Xiaoqiang Yao; Ling Qin; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Six New Metal-Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","2404","2414","10.1021/ic102207n","","","0.71073","MoKα","","0.0505","0.045","","","0.129","0.1325","","","","","","1.095","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324639","9.198","0.001","24.288","0.003","11.4782","0.0012","90","","108.909","0.002","90","","2425.9","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Co N4 O7 -","- C26 H20 Co N4 O7 -","- C104 H80 Co4 N16 O28 -","4","1","","Jinsong Hu; Liangfang Huang; Xiaoqiang Yao; Ling Qin; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Six New Metal-Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","2404","2414","10.1021/ic102207n","","","0.71073","MoKα","","0.0776","0.0585","","","0.1478","0.1564","","","","","","1.011","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324640","25.498","0.005","30.011","0.006","44.331","0.009","90","","90","","90","","33923","12","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C78 H62 N12 O22 Zn3 -","- C78 H60 N12 O21 Zn3 -","- C1248 H960 N192 O336 Zn48 -","16","1","","Jinsong Hu; Liangfang Huang; Xiaoqiang Yao; Ling Qin; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Six New Metal-Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","2404","2414","10.1021/ic102207n","","","0.71073","MoKα","","0.0881","0.0749","","","0.1824","0.1916","","","","","","0.963","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324641","26.548","0.002","10.1451","0.0008","30.495","0.002","90","","102.028","0.002","90","","8033","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N8 Ni O11 -","- C44 H40 N8 Ni O11 -","- C352 H320 N64 Ni8 O88 -","8","1","","Jinsong Hu; Liangfang Huang; Xiaoqiang Yao; Ling Qin; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Six New Metal-Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","2404","2414","10.1021/ic102207n","","","0.71073","MoKα","","0.0776","0.0531","","","0.1196","0.1275","","","","","","0.975","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324642","11.7405","0.001","19.0544","0.0018","19.8722","0.0018","90","","97.039","0.002","90","","4412.1","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Mn2 N8 O12 -","- C52 H36 Mn2 N8 O12 -","- C208 H144 Mn8 N32 O48 -","4","1","","Jinsong Hu; Liangfang Huang; Xiaoqiang Yao; Ling Qin; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Six New Metal-Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","2404","2414","10.1021/ic102207n","","","0.71073","MoKα","","0.0729","0.0481","","","0.0858","0.093","","","","","","0.965","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324643","8.5856","0.0012","18.375","0.003","24.508","0.003","90","","90.73","0.003","90","","3866.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 N8 Ni O9 -","- C45 H34 N8 Ni O9 -","- C180 H136 N32 Ni4 O36 -","4","1","","Jinsong Hu; Liangfang Huang; Xiaoqiang Yao; Ling Qin; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Six New Metal-Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","2404","2414","10.1021/ic102207n","","","0.71073","MoKα","","0.0582","0.0425","","","0.0933","0.099","","","","","","0.946","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324644","6.9313","0.0006","6.9313","0.0006","26.799","0.003","90","","90","","120","","1115.01","0.18","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- B7 Cs3 Li4 O14 -","- B7 Cs3 Li4 O14 -","- B21 Cs9 Li12 O42 -","3","0.5","","Yun Yang; Shilie Pan; Hongyi Li; Jian Han; Zhaohui Chen; Wenwu Zhao; Zhongxiang Zhou","Li4Cs3B7O14: Synthesis, Crystal Structure, and Optical Properties","Inorganic Chemistry","2011","50","","2415","2419","10.1021/ic102214q","","","0.71073","MoKα","","0.055","0.0403","","","0.0704","0.0735","","","","","","0.99","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324645","16.007","0.002","10.4284","0.0014","18.504","0.003","90","","106.198","0.0016","90","","2966.2","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 B Cl P Ru -","- C28 H49 B Cl P Ru -","- C112 H196 B4 Cl4 P4 Ru4 -","4","1","","Kevin D. Hesp; Felix O. Kannemann; Matthew A. Rankin; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Probing Mesitylborane and Mesitylborate Ligation Within the Coordination Sphere of Cp*Ru(PiPr3)+: A Combined Synthetic, X-ray Crystallographic, and Computational Study","Inorganic Chemistry","2011","50","","2431","2444","10.1021/ic1022328","","","0.71073","MoKα","","0.0393","0.0302","","","0.0715","0.0761","","","","","","1.063","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324646","18.8734","0.0015","18.095","0.0015","30.283","0.003","90","","90","","90","","10342.1","1.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H49 B2 F20 P Ru -","- C52 H49 B2 F20 P Ru -","- C416 H392 B16 F160 P8 Ru8 -","8","1","","Kevin D. Hesp; Felix O. Kannemann; Matthew A. Rankin; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Probing Mesitylborane and Mesitylborate Ligation Within the Coordination Sphere of Cp*Ru(PiPr3)+: A Combined Synthetic, X-ray Crystallographic, and Computational Study","Inorganic Chemistry","2011","50","","2431","2444","10.1021/ic1022328","","","0.71073","MoKα","","0.0509","0.0342","","","0.0804","0.09","","","","","","1.047","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324647","10.411","0.0009","12.7595","0.001","21.3876","0.0017","89.6667","0.0009","85.9052","0.001","87.6112","0.001","2831.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H50 B P Ru -","- C28 H50 B P Ru -","- C112 H200 B4 P4 Ru4 -","4","2","","Kevin D. Hesp; Felix O. Kannemann; Matthew A. Rankin; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Probing Mesitylborane and Mesitylborate Ligation Within the Coordination Sphere of Cp*Ru(PiPr3)+: A Combined Synthetic, X-ray Crystallographic, and Computational Study","Inorganic Chemistry","2011","50","","2431","2444","10.1021/ic1022328","","","0.71073","MoKα","","0.0455","0.0352","","","0.0956","0.1029","","","","","","1.029","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324648","8.3245","0.0007","17.0809","0.0014","20.6272","0.0017","90","","101.578","0.001","90","","2873.3","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 B O P Ru -","- C28 H50 B O P Ru -","- C112 H200 B4 O4 P4 Ru4 -","4","1","","Kevin D. Hesp; Felix O. Kannemann; Matthew A. Rankin; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Probing Mesitylborane and Mesitylborate Ligation Within the Coordination Sphere of Cp*Ru(PiPr3)+: A Combined Synthetic, X-ray Crystallographic, and Computational Study","Inorganic Chemistry","2011","50","","2431","2444","10.1021/ic1022328","","","0.71073","MoKα","","0.0416","0.03","","","0.072","0.0771","","","","","","1.032","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324649","8.5073","0.0003","17.1327","0.0006","19.5469","0.0007","84.4141","0.0004","86.6989","0.0004","84.1438","0.0004","2817.42","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 B P Ru -","- C28 H48 B P Ru -","- C112 H192 B4 P4 Ru4 -","4","2","","Kevin D. Hesp; Felix O. Kannemann; Matthew A. Rankin; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Probing Mesitylborane and Mesitylborate Ligation Within the Coordination Sphere of Cp*Ru(PiPr3)+: A Combined Synthetic, X-ray Crystallographic, and Computational Study","Inorganic Chemistry","2011","50","","2431","2444","10.1021/ic1022328","","","0.71073","MoKα","","0.0402","0.0301","","","0.0699","0.0756","","","","","","1.027","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324650","9.7195","0.0002","11.9548","0.0003","14.924","0.0003","91.659","0.002","92.388","0.002","113.952","0.002","1581.38","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H37 B5 Fe2 O6 Ta2 -","- C26 H37 B5 Fe2 O6 Ta2 -","- C52 H74 B10 Fe4 O12 Ta4 -","2","1","","Shubhankar Kumar Bose; K. Geetharani; Babu Varghese; Sundargopal Ghosh","Condensed Tantalaborane Clusters: Synthesis and Structures of [(Cp*Ta)2B5H7{Fe(CO)3}2] and [(Cp*Ta)2B5H9{Fe(CO)3}4]","Inorganic Chemistry","2011","50","","2445","2449","10.1021/ic102235p","","","0.71073","MoKα","","0.0217","0.0186","","","0.0446","0.0454","","","","","","0.995","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324651","15.375","0.002","16.931","0.003","18.227","0.003","84.651","0.01","81.032","0.01","89.855","0.01","4666","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H53 B5 Fe4 O12 Ta2 -","- C35 H37 B5 Fe4 O12 Ta2 -","- C140 H148 B20 Fe16 O48 Ta8 -","4","2","","Shubhankar Kumar Bose; K. Geetharani; Babu Varghese; Sundargopal Ghosh","Condensed Tantalaborane Clusters: Synthesis and Structures of [(Cp*Ta)2B5H7{Fe(CO)3}2] and [(Cp*Ta)2B5H9{Fe(CO)3}4]","Inorganic Chemistry","2011","50","","2445","2449","10.1021/ic102235p","","","0.71073","MoKα","","0.0331","0.0245","","","0.0754","0.086","","","","","","1.17","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324652","14.259","0.004","2.8438","0.0007","9.526","0.002","90","","126.908","0.016","90","","308.87","0.15","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- K1.39 Mn3 O6 -","- K1.39 Mn3 O6 -","- K2.78 Mn6 O12 -","2","0.25","","Qingxin Chu; Xiaofeng Wang; Xinhao Zhang; Qiliang Li; Xiaoyang Liu","Buckled Layers in K0.66Mn2O4.0.28H2O and K0.99Mn3O6.1.25H2O Synthesized at High Pressure: Implication for the Mechanism of Layer-to-Tunnel Transformation in Manganese Oxides","Inorganic Chemistry","2011","50","","2049","2051","10.1021/ic102282v","","","0.71073","MoKα","","0.0531","0.0397","","","0.1082","0.1155","","","","","","1.042","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324653","12.7592","0.0006","2.8385","0.0001","10.4665","0.0005","90","","94.797","0.003","90","","377.74","0.03","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- K1.03 Mn2 O4 -","- K1.029 Mn2 O4 -","- K4.116 Mn8 O16 -","4","0.5","","Qingxin Chu; Xiaofeng Wang; Xinhao Zhang; Qiliang Li; Xiaoyang Liu","Buckled Layers in K0.66Mn2O4.0.28H2O and K0.99Mn3O6.1.25H2O Synthesized at High Pressure: Implication for the Mechanism of Layer-to-Tunnel Transformation in Manganese Oxides","Inorganic Chemistry","2011","50","","2049","2051","10.1021/ic102282v","","","0.71073","MoKα","","0.0215","0.0185","","","0.0425","0.0452","","","","","","1.117","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324654","15.801","0.002","15.801","0.002","19.599","0.004","90","","90","","120","","4237.7","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","[Cu3(CN-py-NO)3(O)(CH3OH)(H2O)2](NO3)","","","- C22 H20 Cu3 N10 O10 -","- C21.9999 H19.9998 Cu3 N10 O10 -","- C131.999 H119.999 Cu18 N60 O60 -","6","0.333333","","Albert Escuer; Gina Vlahopoulou; Spyros P. Perlepes; Franz A. Mautner","Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies","Inorganic Chemistry","2011","50","","2468","2478","10.1021/ic102286r","","","0.71073","MoKα","","0.0818","0.0618","","0.1629","","0.1544","","","1.103","","","1.187","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324655","22.611","0.005","25.921","0.005","15.875","0.003","90","","129.7","0.03","90","","7159","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu4(O)(C7H4N3O)4(CH3COO)2].1/4H2O)","","","- C128 H90 Cu16 N48 O37 -","- C128 H90 Cu16 N48 O37 -","- C256 H180 Cu32 N96 O74 -","2","0.25","","Albert Escuer; Gina Vlahopoulou; Spyros P. Perlepes; Franz A. Mautner","Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies","Inorganic Chemistry","2011","50","","2468","2478","10.1021/ic102286r","","","0.71073","MoKα","","0.0608","0.0512","","0.1237","","0.119","","","1.147","","","1.193","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324656","13.546","0.002","15.635","0.002","16.036","0.003","80","0.03","78.65","0.03","77.25","0.02","3217.5","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cu4(C5H5CO2)4(CN-py-NO)2(OH)2]3(CH3CN)","","","- C128 H93 Cu12 N19 O36 -","- C128 H93 Cu12 N19 O36 -","- C128 H93 Cu12 N19 O36 -","1","0.5","","Albert Escuer; Gina Vlahopoulou; Spyros P. Perlepes; Franz A. Mautner","Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies","Inorganic Chemistry","2011","50","","2468","2478","10.1021/ic102286r","","","0.71073","MoKα","","0.1254","0.0748","","0.2002","","0.1781","","","1.114","","","1.282","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324657","4.1724","0.0008","6.9626","0.0014","11.361","0.002","91.37","0.012","91.03","0.014","100.72","0.011","324.11","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cu(C7H4N3O)2]","","","- C14 H8 Cu N6 O2 -","- C14 H8 Cu N6 O2 -","- C14 H8 Cu N6 O2 -","1","0.5","","Albert Escuer; Gina Vlahopoulou; Spyros P. Perlepes; Franz A. Mautner","Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies","Inorganic Chemistry","2011","50","","2468","2478","10.1021/ic102286r","","","0.71073","MoKα","","0.0578","0.0543","","0.1334","","0.1309","","","1.159","","","1.167","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324658","15.875","0.003","25.921","0.005","17.456","0.004","90","","94.71","0.03","90","","7159","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","[Cu4(O)(C7H4N3O)4(CH3COO)2].1/4H2O","","","- C32 H22.5 Cu4 N12 O9.25 -","- C32 H22.5 Cu4 N12 O9.25 -","- C256 H180 Cu32 N96 O74 -","8","1","","Albert Escuer; Gina Vlahopoulou; Spyros P. Perlepes; Franz A. Mautner","Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies","Inorganic Chemistry","2011","50","","2468","2478","10.1021/ic102286r","","","0.71073","MoKα","","0.0608","0.0512","","0.1231","","0.1185","","","1.158","","","1.205","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324659","8.0598","0.0001","15.1237","0.0003","19.2297","0.0003","90","","90.901","0.001","90","","2343.7","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H24 N3 O4.5 V -","- C25.5 H24 N3 O4.5 V -","- C102 H96 N12 O18 V4 -","4","1","","Amit Saha Roy; Pinaki Saha; Nirmal Das Adhikary; Prasanta Ghosh","o-Iminobenzosemiquinonate and o-Imino-p-methylbenzosemiquinonate Anion Radicals Coupled VO2+ Stabilization","Inorganic Chemistry","2011","50","","2488","2500","10.1021/ic102296p","","","0.71073","MoKα","","0.0479","0.044","","","0.1075","0.1108","","","","","","1.179","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324660","13.0735","0.0009","13.0842","0.0009","14.3558","0.0018","97.372","0.002","97.313","0.002","111.245","0.001","2229.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H43 N9 O7 V2 -","- C51 H34 N9 O7 V2 -","- C102 H68 N18 O14 V4 -","2","1","","Amit Saha Roy; Pinaki Saha; Nirmal Das Adhikary; Prasanta Ghosh","o-Iminobenzosemiquinonate and o-Imino-p-methylbenzosemiquinonate Anion Radicals Coupled VO2+ Stabilization","Inorganic Chemistry","2011","50","","2488","2500","10.1021/ic102296p","","","0.71073","MoKα","","0.0658","0.0534","","","0.1487","0.1587","","","","","","1.014","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324661","15.609","0.004","13.76","0.004","18.61","0.007","90","","112.831","0.012","90","","3684","2","133.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H18 Br2 Co F12 N6 O2 -","- C33 H18 Br2 Co F12 N6 O2 -","- C132 H72 Br8 Co4 F48 N24 O8 -","4","1","","Satoru Karasawa; Noboru Koga","Magnetic Behaviors of Heterospin Chains Consisting of Cobalt(II) Complexes and Dipyridylcarbenes","Inorganic Chemistry","2011","50","","2055","2057","10.1021/ic102322u","","","0.71075","MoKα","","","0.0629","","","","0.1585","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324662","9.8093","0.0016","13.043","0.002","14.578","0.002","91.584","0.011","99.842","0.01","103.601","0.009","1781.7","0.5","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H18 Br2 Co F12 N6 O2 -","- C33 H18 Br2 Co F12 N6 O2 -","- C66 H36 Br4 Co2 F24 N12 O4 -","2","1","","Satoru Karasawa; Noboru Koga","Magnetic Behaviors of Heterospin Chains Consisting of Cobalt(II) Complexes and Dipyridylcarbenes","Inorganic Chemistry","2011","50","","2055","2057","10.1021/ic102322u","","","1.54187","CuKα","","","0.085","","","","0.2086","","","","","","1.189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324663","22.522","0.004","14.455","0.003","17.979","0.003","90","","90","","90","","5853.2","1.9","100","","273","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C47 H92 Fe3 N14 Si4 -","- C47 H92 Fe3 N14 Si4 -","- C188 H368 Fe12 N56 Si16 -","4","0.5","","Scott A. Sulway; David Collison; Joseph J. W. McDouall; Floriana Tuna; Richard A. Layfield","Iron(II) Cage Complexes of N-Heterocyclic Amide and Bis(trimethylsilyl)amide Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","2521","2526","10.1021/ic102341a","","","1.54178","Synchrotron","","0.0448","0.0386","","","0.0893","0.0972","","","","","","1.139","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324664","18.0458","0.0007","8.5059","0.0003","18.7423","0.0007","90","","101.276","0.004","90","","2821.33","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Fe Li N5 Si4 -","- C18 H40 Fe Li N5 Si4 -","- C72 H160 Fe4 Li4 N20 Si16 -","4","1","","Scott A. Sulway; David Collison; Joseph J. W. McDouall; Floriana Tuna; Richard A. Layfield","Iron(II) Cage Complexes of N-Heterocyclic Amide and Bis(trimethylsilyl)amide Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","2521","2526","10.1021/ic102341a","","","0.71073","MoKα","","0.0699","0.0378","","","0.0813","0.0855","","","","","","0.836","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324665","7.828","0.003","12.132","0.004","13.872","0.005","95.191","0.006","106.113","0.005","104.301","0.006","1208.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 Pd S7 -","- C21 H18 N2 Pd S7 -","- C42 H36 N4 Pd2 S14 -","2","1","","Davide Espa; Luca Pilia; Luciano Marchiò; Maria Laura Mercuri; Angela Serpe; Alberto Barsella; Alain Fort; Simon J. Dalgleish; Neil Robertson; Paola Deplano","Redox-Switchable Chromophores Based on Metal (Ni, Pd, Pt) Mixed-Ligand Dithiolene Complexes Showing Molecular Second-Order Nonlinear-Optical Activity","Inorganic Chemistry","2011","50","","2058","2060","10.1021/ic102343g","","","0.71073","MoKα","","0.0714","0.0433","","","0.0956","0.1079","","","","","","1.002","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324666","7.969","0.001","12.082","0.001","13.983","0.001","75.645","0.001","75.462","0.002","72.984","0.001","1223.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 Pt S7 -","- C21 H18 N2 Pt S7 -","- C42 H36 N4 Pt2 S14 -","2","1","","Davide Espa; Luca Pilia; Luciano Marchiò; Maria Laura Mercuri; Angela Serpe; Alberto Barsella; Alain Fort; Simon J. Dalgleish; Neil Robertson; Paola Deplano","Redox-Switchable Chromophores Based on Metal (Ni, Pd, Pt) Mixed-Ligand Dithiolene Complexes Showing Molecular Second-Order Nonlinear-Optical Activity","Inorganic Chemistry","2011","50","","2058","2060","10.1021/ic102343g","","","0.71073","MoKα","","0.032","0.0246","","","0.0481","0.0503","","","","","","1.01","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324667","6.4476","0.0015","16.741","0.004","10.964","0.003","90","","90.675","0.002","90","","1183.4","0.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Uranyl borate","","","- B8 O17 U -","- B8 O17 U -","- B32 O68 U4 -","4","1","","Shuao Wang; Eric M. Villa; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Role of Anions and Reaction Conditions in the Preparation of Uranium(VI), Neptunium(VI), and Plutonium(VI) Borates","Inorganic Chemistry","2011","50","","2527","2533","10.1021/ic102356d","","","0.71073","MoKα","","0.0341","0.03","","","0.06","0.0612","","","","","","1.063","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324668","6.4426","0.0008","16.705","0.002","10.9843","0.0013","90","","90.766","0.001","90","","1182.1","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Neptuyl(VI) borate","","","- B8 Np O17 -","- B8 Np O17 -","- B32 Np4 O68 -","4","1","","Shuao Wang; Eric M. Villa; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Role of Anions and Reaction Conditions in the Preparation of Uranium(VI), Neptunium(VI), and Plutonium(VI) Borates","Inorganic Chemistry","2011","50","","2527","2533","10.1021/ic102356d","","","0.71073","MoKα","","0.0299","0.0247","","","0.0515","0.0531","","","","","","1.037","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324669","6.4391","0.0008","16.714","0.002","10.9648","0.0013","90","","90.744","0.001","90","","1180","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Plutonyl(VI) borate","","","- B8 O17 Pu -","- B8 O17 Pu -","- B32 O68 Pu4 -","4","1","","Shuao Wang; Eric M. Villa; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Role of Anions and Reaction Conditions in the Preparation of Uranium(VI), Neptunium(VI), and Plutonium(VI) Borates","Inorganic Chemistry","2011","50","","2527","2533","10.1021/ic102356d","","","0.71073","MoKα","","0.0208","0.0205","","","0.0471","0.0473","","","","","","1.073","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324670","17.9966","0.0007","17.9966","0.0007","17.9966","0.0007","90","","90","","90","","5828.7","0.4","150.1","","150.1","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 Co Gd N6 O12 -","- C36 Co Gd N6 O12 -","- C144 Co4 Gd4 N24 O48 -","4","0.0208333","","Atsushi Kobayashi; Yui Suzuki; Tadashi Ohba; Shin-ichiro Noro; Ho-Chol Chang; Masako Kato","Ln-Co-Based Rock-Salt-Type Porous Coordination Polymers: Vapor Response Controlled by Changing the Lanthanide Ion","Inorganic Chemistry","2011","50","","2061","2063","10.1021/ic102361d","","","0.7107","MoKα","","","0.075","","","","0.2385","","","","","","1.234","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324671","23.522","0.003","28.077","0.004","36.438","0.005","90","","90","","90","","24065","6","150.1","","","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C36 H42 Co La N6 O24 -","- C36 H18 Co La N6 O24 -","- C576 H288 Co16 La16 N96 O384 -","16","0.5","","Atsushi Kobayashi; Yui Suzuki; Tadashi Ohba; Shin-ichiro Noro; Ho-Chol Chang; Masako Kato","Ln-Co-Based Rock-Salt-Type Porous Coordination Polymers: Vapor Response Controlled by Changing the Lanthanide Ion","Inorganic Chemistry","2011","50","","2061","2063","10.1021/ic102361d","","","0.7107","MoKα","","","0.0746","","","","0.292","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324672","18.1481","0.001","18.1481","0.001","18.1481","0.001","90","","90","","90","","5977.1","0.6","153.1","","153.1","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 Co N6 Nd O12 -","- C36 Co N6 Nd O12 -","- C144 Co4 N24 Nd4 O48 -","4","0.0208333","","Atsushi Kobayashi; Yui Suzuki; Tadashi Ohba; Shin-ichiro Noro; Ho-Chol Chang; Masako Kato","Ln-Co-Based Rock-Salt-Type Porous Coordination Polymers: Vapor Response Controlled by Changing the Lanthanide Ion","Inorganic Chemistry","2011","50","","2061","2063","10.1021/ic102361d","","","0.7107","MoKα","","","0.082","","","","0.2409","","","","","","1.285","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324673","12.888","0.0014","13.1496","0.0014","14.7016","0.0016","103.481","0.002","108.628","0.002","104.214","0.002","2153","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","complex3","","","- C49 H55.3 B F4.7 O P2 Rh -","- C49 H55.288 B F4.712 O P2 Rh -","- C98 H110.576 B2 F9.424 O2 P4 Rh2 -","2","1","","Keying Ding; Deanna L. Miller; Victor G. Young; Connie C. Lu","Study of the Conformationally Flexible, Wide Bite-Angle Diphosphine 4,6-Bis(3-diisopropylphosphinophenyl)dibenzofuran in Rhodium(I) and Palladium(II) Coordination Complexes","Inorganic Chemistry","2011","50","","2545","2552","10.1021/ic102373w","","","0.71073","MoKα","","0.0719","0.0458","","","0.0984","0.1101","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324674","25.253","0.006","11.484","0.003","30.963","0.007","90","","90","","90","","8979","4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","complex4","","","- C44 H54 B F4 N4 O P2 Rh -","- C44 H54 B F4 N4 O P2 Rh -","- C352 H432 B8 F32 N32 O8 P16 Rh8 -","8","1","","Keying Ding; Deanna L. Miller; Victor G. Young; Connie C. Lu","Study of the Conformationally Flexible, Wide Bite-Angle Diphosphine 4,6-Bis(3-diisopropylphosphinophenyl)dibenzofuran in Rhodium(I) and Palladium(II) Coordination Complexes","Inorganic Chemistry","2011","50","","2545","2552","10.1021/ic102373w","","","0.71073","MoKα","","0.0715","0.0537","","","0.1669","0.1764","","","","","","1.296","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4324675","11.5799","0.0009","11.3663","0.0009","33.729","0.003","90","","95.942","0.002","90","","4415.6","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","complex5","","","- C42 H51 B2 F8 N3 O P2 Pd -","- C42 H51 B2 F8 N3 O P2 Pd -","- C168 H204 B8 F32 N12 O4 P8 Pd4 -","4","1","","Keying Ding; Deanna L. Miller; Victor G. Young; Connie C. Lu","Study of the Conformationally Flexible, Wide Bite-Angle Diphosphine 4,6-Bis(3-diisopropylphosphinophenyl)dibenzofuran in Rhodium(I) and Palladium(II) Coordination Complexes","Inorganic Chemistry","2011","50","","2545","2552","10.1021/ic102373w","","","0.71073","MoKα","","0.0592","0.0419","","","0.089","0.0949","","","","","","1.045","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324676","14.3658","0.0007","14.5103","0.0007","23.9483","0.0008","90","","90","","90","","4992.1","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 Ce N3 O12 P3 -","- C36 H81 Ce N3 O12 P3 -","- C144 H324 Ce4 N12 O48 P12 -","4","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1026","0.083","","","0.1465","0.1528","","","","","","1.197","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324677","14.3481","0.0009","14.4845","0.0009","23.9651","0.0015","90","","90","","90","","4980.5","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 N3 O12 P3 Pr -","- C36 H81 N3 O12 P3 Pr -","- C144 H324 N12 O48 P12 Pr4 -","4","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.0789","0.0781","","","0.1908","0.1911","","","","","","1.28","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324678","14.3298","0.0005","14.476","0.0005","23.9774","0.0009","90","","90","","90","","4973.8","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 N3 Nd O12 P3 -","- C36 H81 N3 Nd O12 P3 -","- C144 H324 N12 Nd4 O48 P12 -","4","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.0798","0.0789","","","0.1833","0.1838","","","","","","1.127","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324679","15.247","0.0005","15.247","0.0005","43.4821","0.0018","90","","90","","90","","10108.3","0.6","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 N3 O12 P3 Sm -","- C36 H81 N3 O12 P3 Sm -","- C288 H648 N24 O96 P24 Sm8 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1418","0.0826","","","0.1576","0.1826","","","","","","1.036","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324680","15.2683","0.0004","15.2683","0.0004","43.334","0.0016","90","","90","","90","","10102.1","0.5","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Gd N3 O12 P3 -","- C36 H81 Gd N3 O12 P3 -","- C288 H648 Gd8 N24 O96 P24 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.0902","0.0518","","","0.1081","0.1239","","","","","","1.049","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324681","15.3937","0.001","15.3937","0.001","43.421","0.004","90","","90","","90","","10289.3","1.3","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H81 Dy N3 O12 P3 -","- C36 H81 Dy N3 O12 P3 -","- C288 H648 Dy8 N24 O96 P24 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1083","0.0801","","","0.2244","0.2589","","","","","","1.049","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324682","15.2959","0.0006","15.2959","0.0006","43.217","0.002","90","","90","","90","","10111.2","0.7","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Ho N3 O12 P3 -","- C36 H81 Ho N3 O12 P3 -","- C288 H648 Ho8 N24 O96 P24 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.086","0.0591","","","0.1401","0.1558","","","","","","1.039","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324683","15.3066","0.0007","15.3066","0.0007","43.17","0.003","90","","90","","90","","10114.4","1","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H81 Er N3 O12 P3 -","- C36 H81 Er N3 O12 P3 -","- C288 H648 Er8 N24 O96 P24 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1422","0.0636","","","0.1107","0.1337","","","","","","1.028","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324684","15.2872","0.0006","15.2872","0.0006","43.078","0.003","90","","90","","90","","10067.3","0.9","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H81 N3 O12 P3 Tm -","- C36 H81 N3 O12 P3 Tm -","- C288 H648 N24 O96 P24 Tm8 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1027","0.0566","","","0.1166","0.138","","","","","","1.036","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324685","15.3887","0.0006","15.3887","0.0006","43.295","0.003","90","","90","","90","","10252.8","0.9","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C36 H81 N3 O12 P3 Yb -","- C36 H81 N3 O12 P3 Yb -","- C288 H648 N24 O96 P24 Yb8 -","8","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1339","0.1039","","","0.2051","0.2182","","","","","","1.176","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324686","14.6897","0.0008","13.9933","0.0008","13.1847","0.0007","90","","105.256","0.002","90","","2614.7","0.3","100","0.1","100","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Mo2 O2 P3 -","- C25 H35 Mo2 O2 P3 -","- C100 H140 Mo8 O8 P12 -","4","1","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Alberto Ramos; Miguel A. Ruiz","Mild P4 Activation To Give an Anionic Diphosphorus Complex with a Dual Binding Ability at a Single P Site","Inorganic Chemistry","2011","50","","2064","2066","10.1021/ic102407s","","x-ray","0.71073","MoKα","","0.0541","0.0409","","","0.0848","0.0891","","","","","","1.056","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324687","9.8193","0.0003","22.1561","0.0006","20.7519","0.0006","90","","98.049","0.002","90","","4470.3","0.2","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H55 Mo2 O2 P3 Sn -","- C49 H55 Mo2 O2 P3 Sn -","- C196 H220 Mo8 O8 P12 Sn4 -","4","1","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Alberto Ramos; Miguel A. Ruiz","Mild P4 Activation To Give an Anionic Diphosphorus Complex with a Dual Binding Ability at a Single P Site","Inorganic Chemistry","2011","50","","2064","2066","10.1021/ic102407s","","x-ray","0.71073","MoKα","","0.0763","0.0502","","","0.0947","0.104","","","","","","1.045","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324688","31.9811","0.0013","31.9811","0.0013","14.657","0.003","90","","90","","90","","14991","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C108 H88 Cl4 Fe12 N8 O56 -","- C108 H88 Cl4 Fe12 N8 O56 -","- C432 H352 Cl16 Fe48 N32 O224 -","4","0.25","","Jia-Ping Tong; Feng Shao; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Microwave-Assisted Synthesis of a Ferrimagnetic Dodecanuclear Iron(III) Complex with a Fe4(OH)4 Cubane Core","Inorganic Chemistry","2011","50","","2067","2069","10.1021/ic102411u","","","0.71073","MoKα","","0.1983","0.0954","","","0.2345","0.2887","","","","","","0.988","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324689","15.762","0.004","8.8893","0.0016","14.129","0.003","90","","90.822","0.016","90","","1979.5","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H26 N9 P -","- C16 H26 N9 P -","- C64 H104 N36 P4 -","4","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71073","MoKα","","0.0366","0.0334","","","0.0836","0.0857","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324690","26.7857","0.0017","10.7537","0.0007","16.5219","0.001","90","","101.437","0.001","90","","4664.6","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 N10 P -","- C21 H31 N10 P -","- C168 H248 N80 P8 -","8","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71073","MoKα","","0.0507","0.0459","","","0.1257","0.1305","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324691","29.729","0.005","10.744","0.002","15.486","0.003","90","","100.29","0.02","90","","4866.8","1.6","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N11 P -","- C22 H28 N11 P -","- C176 H224 N88 P8 -","8","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71073","MoKα","","0.0411","0.0316","","","0.0833","0.0881","","","","","","1.053","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324692","10.549","0.005","13.494","0.005","13.764","0.005","90","0.005","105.902","0.005","90","0.005","1884.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl2 N9 P -","- C12 H24 Cl2 N9 P -","- C48 H96 Cl8 N36 P4 -","4","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71069","MoKα","","0.0842","0.0514","","","0.1345","0.2037","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324693","24.58","0.005","11.104","0.005","22.363","0.005","90","0.005","107.644","0.005","90","0.005","5817","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H76 N22 O7 P2 -","- C50 H76 N22 O7 P2 -","- C200 H304 N88 O28 P8 -","4","0.5","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71069","MoKα","","0.0735","0.056","","","0.1421","0.1621","","","","","","1.068","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324694","11.5158","0.0007","11.837","0.0007","12.1809","0.0007","85.434","0.001","81.801","0.001","78.755","0.001","1609.59","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H38 Cl4 Cu N11 O P -","- C22 H38 Cl4 Cu N11 O P -","- C44 H76 Cl8 Cu2 N22 O2 P2 -","2","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71073","MoKα","","0.0474","0.038","","","0.0936","0.0966","","","","","","0.97","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324695","15.657","0.002","25.34","0.003","16.686","0.003","90","","95.464","0.018","90","","6590.1","1.7","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H37 Cl N11 O P Pd -","- C28 H37 Cl N11 O P Pd -","- C224 H296 Cl8 N88 O8 P8 Pd8 -","8","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71073","","","0.11","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324696","9.428","0.005","10.069","0.005","13.778","0.005","91.341","0.005","106.311","0.005","109.631","0.005","1172.3","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H23 Cl3 N9 O P Pd -","- C18 H23 Cl3 N9 O P Pd -","- C36 H46 Cl6 N18 O2 P2 Pd2 -","2","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71069","MoKα","","0.0626","0.0467","","","0.0982","0.1048","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324697","11.914","0.004","11.094","0.003","12.8","0.004","90","","110.904","0.005","90","","1580.5","0.8","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C31 H30 N14 O3 P2 -","- C31 H30 N14 O3 P2 -","- C62 H60 N28 O6 P4 -","2","0.5","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71073","MoKα","","0.0777","0.0667","","","0.1881","0.1988","","","","","","1.101","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324698","9.6004","0.0008","11.0272","0.0009","15.1809","0.0012","90.188","0.001","98.775","0.001","113.98","0.001","1447.4","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H32 Cl2 N11 O2 P Pd -","- C22 H32 Cl2 N11 O2 P Pd -","- C44 H64 Cl4 N22 O4 P2 Pd2 -","2","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71073","MoKα","","0.0526","0.0426","","","0.1077","0.1313","","","","","","1.129","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324699","24.461","0.006","11.2937","0.0019","19.454","0.005","90","","127.736","0.004","90","","4250.2","1.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H24 As2 Co N6 Se10 -","- C36 H24 As2 Co N6 Se10 -","- C144 H96 As8 Co4 N24 Se40 -","4","1","","Jing Zhao; Jingjing Liang; Jiangfang Chen; Yingli Pan; Yong Zhang; Dingxian Jia","Novel Polyselenidoarsenate and Selenidoarsenate: Solvothermal Synthesis and Characterization of [Co(phen)3][As2Se2(μ-Se3)(μ-Se5)] and [Co(phen)3]2[As8Se14]","Inorganic Chemistry","2011","50","","2288","2293","10.1021/ic1024444","","","0.71073","MoKα","","0.0683","0.0482","","","0.1335","0.1487","","","","","","1.071","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324700","10.3519","0.0005","12.7439","0.0004","17.474","0.0012","76.602","0.006","88.032","0.007","66.677","0.005","2055","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 As8 Co2 N12 Se14 -","- C72 H48 As8 Co2 N12 Se14 -","- C72 H48 As8 Co2 N12 Se14 -","1","0.5","","Jing Zhao; Jingjing Liang; Jiangfang Chen; Yingli Pan; Yong Zhang; Dingxian Jia","Novel Polyselenidoarsenate and Selenidoarsenate: Solvothermal Synthesis and Characterization of [Co(phen)3][As2Se2(μ-Se3)(μ-Se5)] and [Co(phen)3]2[As8Se14]","Inorganic Chemistry","2011","50","","2288","2293","10.1021/ic1024444","","","0.71075","MoKα","","0.0602","0.0436","","","0.0999","0.1074","","","","","","0.958","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324701","16.115","0.003","11.374","0.002","18.971","0.003","90","","111.141","0.002","90","","3243.2","1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","10046","","","- C27 H36 Cu F6 N3 S Sb2 -","- C27 H36 Cu F6 N3 S Sb2 -","- C108 H144 Cu4 F24 N12 S4 Sb8 -","4","1","","Lei Yang; Jacqui Tehranchi; William B. Tolman","Reactions of Ph3Sb=S with Copper(I) Complexes Supported by N-Donor Ligands: Formation of Stable Adducts and S-Transfer Reactivity","Inorganic Chemistry","2011","50","","2606","2612","10.1021/ic102449m","","","0.71073","MoKα","","0.036","0.0241","","","0.0533","0.0581","","","","","","1.036","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324702","16.3198","0.0014","11.633","0.001","19.3496","0.0017","90","","111.618","0.002","90","","3415.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","10076m","","","- C30 H42 Cu F6 N3 S Sb2 -","- C30 H42 Cu F6 N3 S Sb2 -","- C120 H168 Cu4 F24 N12 S4 Sb8 -","4","1","","Lei Yang; Jacqui Tehranchi; William B. Tolman","Reactions of Ph3Sb=S with Copper(I) Complexes Supported by N-Donor Ligands: Formation of Stable Adducts and S-Transfer Reactivity","Inorganic Chemistry","2011","50","","2606","2612","10.1021/ic102449m","","","0.71073","MoKα","","0.0483","0.0324","","","0.0741","0.0825","","","","","","1.036","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324703","17.078","0.002","11.7512","0.0015","20.179","0.003","90","","113.384","0.003","90","","3717","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","10081m","","","- C33 H48 Cu F6 N3 S Sb2 -","- C33 H48 Cu F6 N3 S Sb2 -","- C132 H192 Cu4 F24 N12 S4 Sb8 -","4","1","","Lei Yang; Jacqui Tehranchi; William B. Tolman","Reactions of Ph3Sb=S with Copper(I) Complexes Supported by N-Donor Ligands: Formation of Stable Adducts and S-Transfer Reactivity","Inorganic Chemistry","2011","50","","2606","2612","10.1021/ic102449m","","","0.71073","MoKα","","0.0357","0.0257","","","0.0581","0.063","","","","","","1.056","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324704","14.39","0.004","15.972","0.005","15.351","0.005","90","","113.827","0.004","90","","3227.5","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","10053","","","- C36 H47 B Cu N3 S -","- C36 H47 B Cu N3 S -","- C144 H188 B4 Cu4 N12 S4 -","4","1","","Lei Yang; Jacqui Tehranchi; William B. Tolman","Reactions of Ph3Sb=S with Copper(I) Complexes Supported by N-Donor Ligands: Formation of Stable Adducts and S-Transfer Reactivity","Inorganic Chemistry","2011","50","","2606","2612","10.1021/ic102449m","","","0.71073","MoKα","","0.0593","0.0427","","","0.0945","0.1041","","","","","","1.047","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324705","15.7461","0.0014","19.5259","0.0018","22.88","0.002","90.118","0.002","94.861","0.002","109.468","0.002","6605.1","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H240 Ag32 F24 O56 P28 S50 -","- C96 H240 Ag32 F24 O56 P28 S50 -","- C96 H240 Ag32 F24 O56 P28 S50 -","1","0.5","","Jian-Hong Liao; How-Wei Chang; Hong-Chih You; Ching-Shiang Fang; C. W. Liu","Tetrahedral-Shaped Anions as a Template in the Synthesis of High-Nuclearity Silver(I) Dithiophosphate Clusters","Inorganic Chemistry","2011","50","","2070","2072","10.1021/ic102453q","","","0.71073","MoKα","","0.1613","0.055","","","0.1326","0.1802","","","","","","0.974","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324706","15.7616","0.0012","19.5255","0.0013","22.9058","0.0017","90.164","0.002","94.972","0.002","109.426","0.002","6619.2","0.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H240 Ag32 F24 O56 P28 S48 Se2 -","- C96 H240 Ag32 F24 O56 P28 S48 Se2 -","- C96 H240 Ag32 F24 O56 P28 S48 Se2 -","1","0.5","","Jian-Hong Liao; How-Wei Chang; Hong-Chih You; Ching-Shiang Fang; C. W. Liu","Tetrahedral-Shaped Anions as a Template in the Synthesis of High-Nuclearity Silver(I) Dithiophosphate Clusters","Inorganic Chemistry","2011","50","","2070","2072","10.1021/ic102453q","","","0.71073","MoKα","","0.1042","0.0565","","","0.1586","0.1944","","","","","","1.023","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324707","15.6196","0.001","19.3825","0.0014","22.8341","0.0016","90.814","0.002","93.693","0.002","107.904","0.002","6560.3","0.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H120 Ag16 Cr F12 O28 P14 S24 -","- C48 H120 Ag16 Cr F12 O28 P14 S24 -","- C96 H240 Ag32 Cr2 F24 O56 P28 S48 -","2","1","","Jian-Hong Liao; How-Wei Chang; Hong-Chih You; Ching-Shiang Fang; C. W. Liu","Tetrahedral-Shaped Anions as a Template in the Synthesis of High-Nuclearity Silver(I) Dithiophosphate Clusters","Inorganic Chemistry","2011","50","","2070","2072","10.1021/ic102453q","","","0.71073","MoKα","","0.0629","0.0463","","","0.133","0.1482","","","","","","1.046","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324708","15.6227","0.0015","15.7332","0.0014","28.605","0.003","99.661","0.002","90.995","0.002","95.522","0.002","6895.1","1.2","253","2","253","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H126 Ag16 F12 Mo O29 P14 S24 -","- C51 H109.5 Ag16 F12 Mo O29 P14 S24 -","- C102 H219 Ag32 F24 Mo2 O58 P28 S48 -","2","1","","Jian-Hong Liao; How-Wei Chang; Hong-Chih You; Ching-Shiang Fang; C. W. Liu","Tetrahedral-Shaped Anions as a Template in the Synthesis of High-Nuclearity Silver(I) Dithiophosphate Clusters","Inorganic Chemistry","2011","50","","2070","2072","10.1021/ic102453q","","","0.71073","MoKα","","0.1101","0.0643","","","0.1875","0.2241","","","","","","1.028","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324709","25.144","0.008","19.41","0.006","13.355","0.005","90","","90","","90","","6518","4","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C4 H62 Ag As2 Mo15 N13 O60 -","- C4 Ag As2 Mo15 N2 O71 -","- C16 Ag4 As8 Mo60 N8 O284 -","4","0.5","","Yanping Zhang; Lili Li; Tao Sun; Bin Liu; Huaiming Hu; Ganglin Xue","A Cagelike Polyanion with a Ag+ Enwrapped, [AgAs2Mo15O54]11-","Inorganic Chemistry","2011","50","","2613","2618","10.1021/ic102459r","","","0.71073","MoKα","","0.1043","0.0606","","","0.1583","0.1692","","","","","","0.995","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324710","25.556","0.008","19.643","0.006","13.527","0.004","90","","90","","90","","6791","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ag As2 H60 Mo15 N11 O62 -","- Ag As2 Mo15 O73 -","- Ag4 As8 Mo60 O292 -","4","0.5","","Yanping Zhang; Lili Li; Tao Sun; Bin Liu; Huaiming Hu; Ganglin Xue","A Cagelike Polyanion with a Ag+ Enwrapped, [AgAs2Mo15O54]11-","Inorganic Chemistry","2011","50","","2613","2618","10.1021/ic102459r","","","0.71073","MoKα","","0.1235","0.0734","","","0.1696","0.1827","","","","","","1.009","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324711","10.18","0.004","14.653","0.005","16.585","0.013","72.9","0.012","83.494","0.012","87.647","0.006","2349","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Co Cr2 N6 O22 -","- C42 H36 Co Cr2 N6 O22 -","- C84 H72 Co2 Cr4 N12 O44 -","2","1","","Julia Vallejo; Isabel Castro; Jesús Ferrando-Soria; Maria del Pino Déniz-Hernández; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve; Rafael Ruiz-García; Joan Cano","Solid-State Dinuclear-to-Trinuclear Conversion in an Oxalato-Bridged Chromium(III)-Cobalt(II) Complex as a New Route toward Single-Molecule Magnets","Inorganic Chemistry","2011","50","","2073","2075","10.1021/ic1025203","","x-ray","0.71073","MoKα","","0.0952","0.0644","","","0.136","0.1516","","","","","","1.053","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324712","18.6","0.002","24.731","0.003","16.632","0.002","90","","120.696","0.003","90","","6578.7","1.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H94 Eu N5 O3 Si2 -","- C64 H72 Eu N5 O3 Si2 -","- C256 H288 Eu4 N20 O12 Si8 -","4","0.5","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.085","0.0666","","","0.1497","0.16","","","","","","1.116","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324713","13.2593","0.0013","24.94","0.002","17.4422","0.0017","90","","103.183","0.003","90","","5615.9","0.9","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 N5 Nd O2.5 Si2 -","- C56 H72 N5 Nd O2.5 Si2 -","- C224 H288 N20 Nd4 O10 Si8 -","4","1","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.1307","0.0897","","","0.1307","0.1447","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324714","13.429","0.002","24.942","0.004","17.499","0.003","90","","103.522","0.005","90","","5698.8","1.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 La N5 O2.5 Si2 -","- C56 H72 La N5 O2.5 Si2 -","- C224 H288 La4 N20 O10 Si8 -","4","1","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.2076","0.1277","","","0.2828","0.3399","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324715","14.0041","0.0016","17.7799","0.0017","22.603","0.003","90","","101.853","0.003","90","","5508","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H69 N4 Nd O4 -","- C56 H69 N4 Nd O4 -","- C224 H276 N16 Nd4 O16 -","4","1","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.1112","0.0882","","","0.2167","0.2358","","","","","","1.114","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324716","12.8009","0.0011","12.8009","0.0011","37.601","0.004","90","","90","","90","","6161.4","1","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H94 N3 O2 Si2 Yb -","- C60 H94 N3 O2 Si2 Yb -","- C240 H376 N12 O8 Si8 Yb4 -","4","0.5","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.0737","0.0659","","","0.1437","0.1489","","","","","","1.113","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324717","12.7298","0.0007","12.7298","0.0007","37.972","0.003","90","","90","","90","","6153.3","0.7","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H94 N3 O2 Si2 Y -","- C60 H80 N3 O2 Si2 Y -","- C240 H320 N12 O8 Si8 Y4 -","4","0.5","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71073","MoKα","","0.0811","0.0672","","","0.1619","0.1705","","","","","","1.048","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324718","12.6488","0.0018","12.6488","0.0018","38.283","0.008","90","","90","","90","","6125","1.8","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H94 N3 Nd O2 Si2 -","- C60 H94 N3 Nd O2 Si2 -","- C240 H376 N12 Nd4 O8 Si8 -","4","0.5","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71073","MoKα","","0.0407","0.0373","","","0.0743","0.0763","","","","","","1.091","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324719","12.6732","0.0007","12.6732","0.0007","38.391","0.003","90","","90","","90","","6166","0.7","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C60 H94 La N3 O2 Si2 -","- C60 H94 La N3 O2 Si2 -","- C240 H376 La4 N12 O8 Si8 -","4","0.5","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.0738","0.0582","","","0.1244","0.1394","","","","","","1.098","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324720","13.3661","0.0005","17.9742","0.0008","22.069","0.0009","90","","90","","90","","5302","0.4","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 N3 O2 Si2 Yb -","- C52 H78 N3 O2 Si2 Yb -","- C208 H312 N12 O8 Si8 Yb4 -","4","1","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.0422","0.0392","","","0.0652","0.0666","","","","","","1.049","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324721","13.3775","0.0011","18.0251","0.0016","22.185","0.002","90","","90","","90","","5349.5","0.8","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 N3 O2 Si2 Y -","- C52 H78 N3 O2 Si2 Y -","- C208 H312 N12 O8 Si8 Y4 -","4","1","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.0922","0.0693","","","0.1188","0.129","","","","","","1.052","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324722","12.128","0.006","8.852","0.004","8.917","0.004","90","","90","","90","","957.3","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Fe S5 Sb -","- Ba2 Fe S5 Sb -","- Ba8 Fe4 S20 Sb4 -","4","0.5","","Lei Geng; Wen-Dan Cheng; Hao Zhang; Chen-Sheng Lin; Wei-Long Zhang; Ye-Yu Li; Zhang-Zhen He","Syntheses, Crystal and Electronic Structures, and Characterizations of Quaternary Antiferromagnetic Sulfides: Ba2MFeS5 (M = Sb, Bi)","Inorganic Chemistry","2011","50","","2378","2384","10.1021/ic102597y","","","0.71073","MoKα","","0.0233","0.0214","","","0.0537","0.0673","","","","","","1.222","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324723","12.121","0.005","8.913","0.004","8.837","0.004","90","","90","","90","","954.7","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Bi Fe S5 -","- Ba2 Bi Fe S5 -","- Ba8 Bi4 Fe4 S20 -","4","0.5","","Lei Geng; Wen-Dan Cheng; Hao Zhang; Chen-Sheng Lin; Wei-Long Zhang; Ye-Yu Li; Zhang-Zhen He","Syntheses, Crystal and Electronic Structures, and Characterizations of Quaternary Antiferromagnetic Sulfides: Ba2MFeS5 (M = Sb, Bi)","Inorganic Chemistry","2011","50","","2378","2384","10.1021/ic102597y","","","0.71073","MoKα","","0.036","0.0333","","","0.0788","0.1039","","","","","","1.159","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324724","16.6656","0.0008","9.38","0.0004","15.2884","0.0008","90","","99.467","0.002","90","","2357.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(trimethylsilyl)-N'-(dimethylchlorosilyl)hydrazino-(pentafluorophenyl) methylphosphane","","- C15 H27 Cl F5 N2 P Si3 -","- C15 H27 Cl F5 N2 P Si3 -","- C60 H108 Cl4 F20 N8 P4 Si12 -","4","1","","Andrea Westenkirchner; Alexander Villinger; Konstantin Karaghiosoff; Ronald Wustrack; Dirk Michalik; Axel Schulz","Lewis Acid Assisted Methyl/Chlorine Exchange in Silylated Hydrazinochlorophosphanes","Inorganic Chemistry","2011","50","","2691","2702","10.1021/ic200005q","","","0.71073","MoKα","","0.1332","0.103","","","0.2528","0.2632","","","","","","1.068","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324725","15.509","0.003","12.823","0.003","11.945","0.002","90","","99.81","0.03","90","","2340.8","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N,N',N'-tris(trimethylsilyl)hydrazino-(pentafluorophenyl)chlorophosphane","","- C15 H27 Cl F5 N2 P Si3 -","- C15 H27 Cl F5 N2 P Si3 -","- C60 H108 Cl4 F20 N8 P4 Si12 -","4","1","","Andrea Westenkirchner; Alexander Villinger; Konstantin Karaghiosoff; Ronald Wustrack; Dirk Michalik; Axel Schulz","Lewis Acid Assisted Methyl/Chlorine Exchange in Silylated Hydrazinochlorophosphanes","Inorganic Chemistry","2011","50","","2691","2702","10.1021/ic200005q","","","0.71073","MoKα","","0.0426","0.0351","","","0.1026","0.1076","","","","","","1.077","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324726","9.709","0.0019","15.819","0.003","18.523","0.005","90","","110.96","0.03","90","","2656.6","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(trimethylsilyl)-N'-(dimethylchlorosilyl)hydrazinomethylphenyl phosphane galliumtrichloride adduct","","- C15 H32 Cl4 Ga N2 P Si3 -","- C15 H32 Cl4 Ga N2 P Si3 -","- C60 H128 Cl16 Ga4 N8 P4 Si12 -","4","1","","Andrea Westenkirchner; Alexander Villinger; Konstantin Karaghiosoff; Ronald Wustrack; Dirk Michalik; Axel Schulz","Lewis Acid Assisted Methyl/Chlorine Exchange in Silylated Hydrazinochlorophosphanes","Inorganic Chemistry","2011","50","","2691","2702","10.1021/ic200005q","","","0.71073","MoKα","","0.0384","0.033","","","0.0959","0.0995","","","","","","1.059","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324727","9.7093","0.0004","15.834","0.0005","17.582","0.0006","90","","100.026","0.002","90","","2661.73","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N,N'-bis(trimethylsilyl)-N'-(dimethylchlorosilyl)hydrazinomethylphenyl phosphane aluminiumtrichloride adduct","","- C15 H32 Al Cl4 N2 P Si3 -","- C15 H32 Al Cl4 N2 P Si3 -","- C60 H128 Al4 Cl16 N8 P4 Si12 -","4","1","","Andrea Westenkirchner; Alexander Villinger; Konstantin Karaghiosoff; Ronald Wustrack; Dirk Michalik; Axel Schulz","Lewis Acid Assisted Methyl/Chlorine Exchange in Silylated Hydrazinochlorophosphanes","Inorganic Chemistry","2011","50","","2691","2702","10.1021/ic200005q","","","0.71073","MoKα","","0.0524","0.036","","","0.0961","0.1025","","","","","","1.052","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324728","8.5157","0.0002","12.6961","0.0004","11.001","0.0003","90","","99.679","0.001","90","","1172.46","0.06","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","N,N',N'-tris(trimethylsilyl)hydrazino-methyl(chloro)phosphane Galliumtrichloride addukt","","- C10 H30 Cl4 Ga N2 P Si3 -","- C10 H30 Cl4 Ga N2 P Si3 -","- C20 H60 Cl8 Ga2 N4 P2 Si6 -","2","1","","Andrea Westenkirchner; Alexander Villinger; Konstantin Karaghiosoff; Ronald Wustrack; Dirk Michalik; Axel Schulz","Lewis Acid Assisted Methyl/Chlorine Exchange in Silylated Hydrazinochlorophosphanes","Inorganic Chemistry","2011","50","","2691","2702","10.1021/ic200005q","","","0.71073","MoKα","","0.0192","0.0177","","","0.0459","0.0464","","","","","","1.014","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324729","9.8091","0.0003","15.7487","0.0005","17.4956","0.0006","90","","99.759","0.002","90","","2663.62","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N,N',N'-tris(trimethylsilyl)hydrazino-methyl(phenyl)phosphane galliumtrichloride addukt","","- C16 H35 Cl3 Ga N2 P Si3 -","- C16 H35 Cl3 Ga N2 P Si3 -","- C64 H140 Cl12 Ga4 N8 P4 Si12 -","4","1","","Andrea Westenkirchner; Alexander Villinger; Konstantin Karaghiosoff; Ronald Wustrack; Dirk Michalik; Axel Schulz","Lewis Acid Assisted Methyl/Chlorine Exchange in Silylated Hydrazinochlorophosphanes","Inorganic Chemistry","2011","50","","2691","2702","10.1021/ic200005q","","","0.71073","MoKα","","0.0417","0.0299","","","0.0775","0.082","","","","","","1.069","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324730","7.00746","0.0002","4.40984","0.00013","7.59103","0.00022","90","","106.918","0.0016","90","","224.424","0.011","298","","298","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C2 Eu -","- C2 Eu -","- C8 Eu4 -","4","0.5","","Derk Wandner; Pascal Link; Oliver Heyer; John Mydosh; Mahmoud A. Ahmida; Mohsen M. Abd-Elmeguid; Manfred Speldrich; Heiko Lueken; Uwe Ruschewitz","Correction to Structural Phase Transitions in EuC2","Inorganic Chemistry","2011","50","","2703","2703","10.1021/ic200013z","powder diffraction","x-ray","0.499604","","","","","","","","","0.09389","","5.86","","","","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324731","4.14998","0.00016","4.14998","","6.62728","0.00032","90","","90","","90","","114.137","0.007","638","","638","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- C2 Eu -","- C2 Eu -","- C4 Eu2 -","2","0.0625","","Derk Wandner; Pascal Link; Oliver Heyer; John Mydosh; Mahmoud A. Ahmida; Mohsen M. Abd-Elmeguid; Manfred Speldrich; Heiko Lueken; Uwe Ruschewitz","Correction to Structural Phase Transitions in EuC2","Inorganic Chemistry","2011","50","","2703","2703","10.1021/ic200013z","powder diffraction","x-ray","0.470257","","","","","","","","","0.19282","","5.42","","","","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324732","6.1379","0.0004","6.1379","","6.1379","","90","","90","","90","","231.238","0.015","648","","648","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- C2 Eu -","- C2 Eu -","- C8 Eu4 -","4","0.0208333","","Derk Wandner; Pascal Link; Oliver Heyer; John Mydosh; Mahmoud A. Ahmida; Mohsen M. Abd-Elmeguid; Manfred Speldrich; Heiko Lueken; Uwe Ruschewitz","Correction to Structural Phase Transitions in EuC2","Inorganic Chemistry","2011","50","","2703","2703","10.1021/ic200013z","powder diffraction","x-ray","0.470257","","","","","","","","","0.32051","","6.61","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324733","8.0995","0.0015","14.635","0.003","9.8248","0.0018","90","","90.028","0.002","90","","1164.6","0.4","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","Plutonium(III) borate bromide","","","- B24 Br4 O51 Pu4 -","- B24 Br4 O51 Pu4 -","- B24 Br4 O51 Pu4 -","1","0.5","","Shuao Wang; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Surprising Coordination for Plutonium in the First Plutonium(III) Borate","Inorganic Chemistry","2011","50","","2079","2081","10.1021/ic200064n","","","0.71073","MoKα","","0.0459","0.0334","","","0.0653","0.0693","","","","","","1.002","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324734","26.05","0.002","26.05","0.002","26.05","0.002","90","","90","","90","","17678","2","173","2","173","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C59 H69 Mn9 N6 O28 -","- C59.01 H69.03 Mn9 N6 O28 -","- C472.08 H552.24 Mn72 N48 O224 -","8","0.333333","","Suna Wang; Lingqian Kong; Hua Yang; Zhoutong He; Zheng Jiang; Dacheng Li; Suyuan Zeng; Meiju Niu; You Song; Jianmin Dou","A Novel 9-MC-3 and 15-MC-6 Onset Stacked Metallacrown Single-Molecule Magnet: Synthesis and Crystal Structure","Inorganic Chemistry","2011","50","","2705","2707","10.1021/ic101622d","","","0.71073","MoKα","","0.0592","0.0441","","","0.1043","0.108","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324735","7.52","0.0014","9.2","0.003","10.728","0.003","90.484","0.013","91.742","0.016","105.265","0.016","715.6","0.3","115","","115","","","","","","","","local laboratory","4","P -1","-P 1","2","copper(II) o-phenylenebis(acetylacetonate) dimer","bis(mu-(3,3'-(1,2-phenylene)bis(2,4-pentanedionato)))dicopper","","- C32 H32 Cu2 O8 -","- C32 H32 Cu2 O8 -","- C32 H32 Cu2 O8 -","1","0.5","","Chandi Pariya; Frank R. Fronczek; Andrew W. Maverick","Bis(o-phenylenebis(acetylacetonato))dicopper(II): A Strained Copper(II) Dimer Exhibiting a Wide Range of Colors in the Solid State","Inorganic Chemistry","2011","50","","2748","2753","10.1021/ic101641r","","","0.71073","MoKα","","0.254","0.117","","","0.225","0.282","","","","","","1.074","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324736","11.7288","0.001","20.79","0.002","12.0788","0.0011","90","","119.005","0.004","90","","2575.9","0.4","115","","115","","","","","","","","local laboratory","5","P 1 21/n 1","-P 2yn","14","copper(II) o-phenylenebis(acetylacetonate) dimer, benzene chloroform solvate","bis(mu-(3,3'-(1,2-phenylene)bis(2,4-pentanedionato)))dicopper benzene tetrakis(chloroform) solvate","","- C42 H42 Cl12 Cu2 O8 -","- C42 H42 Cl12 Cu2 O8 -","- C84 H84 Cl24 Cu4 O16 -","2","0.5","","Chandi Pariya; Frank R. Fronczek; Andrew W. Maverick","Bis(o-phenylenebis(acetylacetonato))dicopper(II): A Strained Copper(II) Dimer Exhibiting a Wide Range of Colors in the Solid State","Inorganic Chemistry","2011","50","","2748","2753","10.1021/ic101641r","","","0.71073","MoKα","","0.052","0.036","","","0.088","0.094","","","","","","1.029","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324737","7.719","0.0005","11.6921","0.0009","12.1682","0.001","79.475","0.004","80.666","0.005","72.687","0.006","1023.98","0.14","90","","90","","","","","","","","local laboratory","5","P -1","-P 1","2","copper(II) o-phenylenebis(acetylacetonate) dimer, nitrobenzene solvate","bis(mu-(3,3'-(1,2-phenylene)bis(2,4-pentanedionato)))dicopper bis(nitrobenzene) solvate","","- C44 H42 Cu2 N2 O12 -","- C44 H42 Cu2 N2 O12 -","- C44 H42 Cu2 N2 O12 -","1","0.5","","Chandi Pariya; Frank R. Fronczek; Andrew W. Maverick","Bis(o-phenylenebis(acetylacetonato))dicopper(II): A Strained Copper(II) Dimer Exhibiting a Wide Range of Colors in the Solid State","Inorganic Chemistry","2011","50","","2748","2753","10.1021/ic101641r","","","0.71073","MoKα","","0.039","0.034","","","0.089","0.092","","","","","","1.046","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324738","7.5492","0.001","11.4219","0.0015","11.9423","0.0015","116.99","0.006","93.97","0.008","105.046","0.008","864.9","0.2","115","","115","","","","","","","","local laboratory","4","P -1","-P 1","2","copper(II) o-phenylenebis(acetylacetonate) dimer, toluene solvate","bis(mu-(3,3'-(1,2-phenylene)bis(2,4-pentanedionato)))dicopper toluene solvate","","- C39 H40 Cu2 O8 -","- C39 H40 Cu2 O8 -","- C39 H40 Cu2 O8 -","1","0.5","","Chandi Pariya; Frank R. Fronczek; Andrew W. Maverick","Bis(o-phenylenebis(acetylacetonato))dicopper(II): A Strained Copper(II) Dimer Exhibiting a Wide Range of Colors in the Solid State","Inorganic Chemistry","2011","50","","2748","2753","10.1021/ic101641r","","","0.71073","MoKα","","0.041","0.032","","","0.075","0.079","","","","","","1.057","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324739","8.67","0.003","11.963","0.005","12.116","0.008","101.86","0.02","110.69","0.02","101.23","0.02","1100.4","1","115","","115","","","","","","","","","5","P -1","-P 1","2","copper(II) o-phenylenebis(acetylacetonate) dimer, polymer with 1,2-bis(4-pyridyl)ethane, toluene solvate","catena(mu-(1,2-bis(4-pyridyl)ethane)bis(mu-(3,3'-(1,2-phenylene)- bis(2,4-pentanedionato)))dicopper) sesqui-toluene solvate","","- C54.5 H56 Cu2 N2 O8 -","- C44 H44 Cu2 N2 O8 -","- C44 H44 Cu2 N2 O8 -","1","0.5","","Chandi Pariya; Frank R. Fronczek; Andrew W. Maverick","Bis(o-phenylenebis(acetylacetonato))dicopper(II): A Strained Copper(II) Dimer Exhibiting a Wide Range of Colors in the Solid State","Inorganic Chemistry","2011","50","","2748","2753","10.1021/ic101641r","","","0.71073","MoKα","","0.15","0.123","","","0.318","0.35","","","","","","1.341","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324740","20.978","0.009","11.525","0.004","16.98","0.006","90","","90","","90","","4105","3","115","","115","","","","","","","","","5","C m m a","-C 2a 2","67","copper(II) o-phenylenebis(acetylacetonate) dimer, polymer with 1,2-bis(4-pyridyl)ethane, toluene solvate","catena(mu-(4,4'-bipyridine)bis(mu-(3,3'-(1,2-phenylene)- bis(2,4-pentanedionato)))dicopper) toluene solvate","","- C49 H48 Cu2 N2 O8 -","- C49 H45 Cu2 N2 O8 -","- C196 H180 Cu8 N8 O32 -","4","0.25","","Chandi Pariya; Frank R. Fronczek; Andrew W. Maverick","Bis(o-phenylenebis(acetylacetonato))dicopper(II): A Strained Copper(II) Dimer Exhibiting a Wide Range of Colors in the Solid State","Inorganic Chemistry","2011","50","","2748","2753","10.1021/ic101641r","","","0.71073","MoKα","","0.136","0.097","","","0.262","0.286","","","","","","1.589","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324741","8.644","0.003","9.84","0.003","20.162","0.006","97.355","0.005","97.1","0.005","98.606","0.005","1663.7","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N5 Ni O -","- C18 H15 N5 Ni O -","- C72 H60 N20 Ni4 O4 -","4","2","","Joanna M. Hamilton; Michael J. Anhorn; Karen A. Oscarson; Joseph H. Reibenspies; Robert D. Hancock","Complexation of Metal Ions, Including Alkali-Earth and Lanthanide(III) Ions, in Aqueous Solution by the Ligand 2,2',6',2''-Terpyridyl","Inorganic Chemistry","2011","50","","2764","2770","10.1021/ic101742x","","","0.71073","MoKα","","0.0375","0.0319","","","0.0798","0.09","","","","","","1.023","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324742","15.4045","0.0006","23.058","0.0007","18.2199","0.0006","90","","109.682","0.0011","90","","6093.6","0.4","100.1","","100.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 Br7 Cl9 Cu8 N4 S8 -","- C31 H51 Br7 Cl9 Cu8 N4 S8 -","- C124 H204 Br28 Cl36 Cu32 N16 S32 -","4","1","","Takashi Okubo; Hiroyasu Kuwamoto; Kyung Ho Kim; Shinya Hayami; Akihito Yamano; Motoo Shiro; Masahiko Maekawa; Takayoshi Kuroda-Sowa","Intervalence Charge-Transfer System by 1D Assembly of New Mixed-Valence Octanuclear CuI/CuII/CuIII Cluster Units","Inorganic Chemistry","2011","50","","2708","2710","10.1021/ic101794u","","","0.71075","MoKα","","","0.0456","","","","0.1165","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324743","25.3428","0.001","17.2004","0.0007","14.7026","0.0006","90","","90","","90","","6409","0.4","100","2","100","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C55.25 H50.5 F12 N10 O5 P2 Ru2 -","- C54.875 H49.775 F11.2106 N10 O4.26 P2 Ru2 -","- C219.5 H199.1 F44.8426 N40 O17.04 P8 Ru8 -","4","1","","Laia Francàs; Xavier Sala; Eduardo Escudero-Adán; Jordi Benet-Buchholz; Lluís Escriche; Antoni Llobet","Synthesis, Structure, and Reactivity of New Tetranuclear Ru-Hbpp-Based Water-Oxidation Catalysts","Inorganic Chemistry","2011","50","","2771","2781","10.1021/ic101802y","","","0.71073","MoKα","","0.0991","0.0883","","","0.2392","0.2487","","","","","","1.137","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4324744","14.637","0.0008","19.5535","0.001","20.3342","0.0011","98.898","0.002","103.603","0.002","102.698","0.003","5385.9","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H47.65 Cl F12 N10 O1.32 P2 Ru2 -","- C54 H47.6451 Cl F12 N10 O1.32255 P2 Ru2 -","- C216 H190.58 Cl4 F48 N40 O5.2902 P8 Ru8 -","4","2","","Laia Francàs; Xavier Sala; Eduardo Escudero-Adán; Jordi Benet-Buchholz; Lluís Escriche; Antoni Llobet","Synthesis, Structure, and Reactivity of New Tetranuclear Ru-Hbpp-Based Water-Oxidation Catalysts","Inorganic Chemistry","2011","50","","2771","2781","10.1021/ic101802y","","","0.71073","MoKα","","0.0577","0.0385","","","0.0969","0.1105","","","","","","1.027","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4324745","12.6872","0.0007","14.1522","0.001","17.0548","0.001","90.713","0.003","111.643","0.003","91.573","0.003","2844.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 F12 N10 O2 P2 Ru2 -","- C52 H40 F12 N10 O2 P2 Ru2 -","- C104 H80 F24 N20 O4 P4 Ru4 -","2","1","","Laia Francàs; Xavier Sala; Eduardo Escudero-Adán; Jordi Benet-Buchholz; Lluís Escriche; Antoni Llobet","Synthesis, Structure, and Reactivity of New Tetranuclear Ru-Hbpp-Based Water-Oxidation Catalysts","Inorganic Chemistry","2011","50","","2771","2781","10.1021/ic101802y","","","0.71073","MoKα","","0.141","0.0724","","","0.17","0.1937","","","","","","0.97","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4324746","7.4258","0.0007","28.522","0.003","10.8529","0.001","90","","100.61","0.0013","90","","2259.3","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H53 N19 O31 Pb2 -","- C18 H53 N19 O31 Pb2 -","- C36 H106 N38 O62 Pb4 -","2","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0234","0.0218","","","0.0465","0.047","","","","","","0.968","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324747","5.4331","0.0005","13.5936","0.0013","30.12","0.003","90","","90","","90","","2224.5","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H30 N4 O12 Pb -","- C12 H30 N4 O12 Pb -","- C48 H120 N16 O48 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0241","0.0217","","","0.05","0.0513","","","","","","1.096","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324748","5.3525","0.0004","13.4886","0.001","33.906","0.003","90","","90","","90","","2447.9","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N4 O12 Pb -","- C18 H26 N4 O12 Pb -","- C72 H104 N16 O48 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0261","0.0254","","","0.0585","0.0588","","","","","","1.14","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324749","5.6093","0.0005","13.7434","0.0013","32.965","0.003","90","","90","","90","","2541.3","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N4 O13 Pb -","- C18 H28 N4 O13 Pb -","- C72 H112 N16 O52 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0535","0.0479","","","0.1107","0.1125","","","","","","1.289","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324750","5.4526","0.0004","13.5911","0.0011","28.742","0.002","90","","90","","90","","2130","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H28 N4 O12 Pb -","- C11 H28 N4 O12 Pb -","- C44 H112 N16 O48 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0266","0.0253","","","0.0586","0.0589","","","","","","1.15","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324751","5.4125","0.0006","13.6907","0.0014","26.708","0.003","90","","90","","90","","1979.1","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H26 N4 O12 Pb -","- C10 H26 N4 O12 Pb -","- C40 H104 N16 O48 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0228","0.0181","","","0.0394","0.0406","","","","","","1.047","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324752","36.781","0.003","8.0506","0.0006","18.6868","0.0013","90","","119.938","0.005","90","","4795","0.7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H36 Ag2 Cl2 Fe2 N10 O23 -","- C30 H36 Ag2 Cl2 Fe2 N10 O23 -","- C120 H144 Ag8 Cl8 Fe8 N40 O92 -","4","1","","Sanjit Nayak; Klaus Harms; Stefanie Dehnen","New Three-Dimensional Metal-Organic Framework with Heterometallic [Fe-Ag] Building Units: Synthesis, Crystal Structure, and Functional Studies","Inorganic Chemistry","2011","50","","2714","2716","10.1021/ic1019636","","","0.71073","MoKα","","0.1338","0.064","","","0.1276","0.1506","","","","","","0.839","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324753","19.839","0.003","20.128","0.003","22.311","0.003","90","","90","","90","","8909","2","183.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H34 Cu2 Mo2 O S12 -","- C40 H34 Cu2 Mo2 O S12 -","- C320 H272 Cu16 Mo16 O8 S96 -","8","1","","Takeshi Matsumoto; Ho-Chol Chang; Atsushi Kobayashi; Kohei Uosaki; Masako Kato","Metal-Dependent and Redox-Selective Coordination Behaviors of Metalloligand [MoV(1,2-benzenedithiolato)3]-with CuI/AgI Ions","Inorganic Chemistry","2011","50","","2859","2869","10.1021/ic102070c","","","0.71075","MoK?","","","0.0543","","","","0.1445","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324754","12.4145","0.0017","7.2458","0.0009","22.323","0.003","90","","104.807","0.0005","90","","1941.3","0.4","223.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Ag Mo S6 -","- C18 H12 Ag Mo S6 -","- C72 H48 Ag4 Mo4 S24 -","4","1","","Takeshi Matsumoto; Ho-Chol Chang; Atsushi Kobayashi; Kohei Uosaki; Masako Kato","Metal-Dependent and Redox-Selective Coordination Behaviors of Metalloligand [MoV(1,2-benzenedithiolato)3]-with CuI/AgI Ions","Inorganic Chemistry","2011","50","","2859","2869","10.1021/ic102070c","","","0.7107","MoK?","","","0.0227","","","","0.0567","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324755","28.326","0.003","14.7583","0.0014","16.8906","0.0016","90","","114.249","0.001","90","","6438","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H86 Ce Fe N2 O6 P2 -","- C70 H86 Ce Fe N2 O6 P2 -","- C280 H344 Ce4 Fe4 N8 O24 P8 -","4","0.5","","Erin M. Broderick; Peter S. Thuy-Boun; Neng Guo; Carola S. Vogel; Jörg Sutter; Jeffrey T. Miller; Karsten Meyer; Paula L. Diaconescu","Synthesis and Characterization of Cerium and Yttrium Alkoxide Complexes Supported by Ferrocene-Based Chelating Ligands","Inorganic Chemistry","2011","50","","2870","2877","10.1021/ic102076g","","","0.71073","MoKα","","0.0335","0.0257","","","0.0588","0.0623","","","","","","1.012","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324756","13.104","0.004","13.12","0.004","21.294","0.007","93.18","0.003","103.069","0.003","103.04","0.003","3452.2","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H86 Ce Fe N6 O4 P2 -","- C76 H86 Ce Fe N6 O4 P2 -","- C152 H172 Ce2 Fe2 N12 O8 P4 -","2","1","","Erin M. Broderick; Peter S. Thuy-Boun; Neng Guo; Carola S. Vogel; Jörg Sutter; Jeffrey T. Miller; Karsten Meyer; Paula L. Diaconescu","Synthesis and Characterization of Cerium and Yttrium Alkoxide Complexes Supported by Ferrocene-Based Chelating Ligands","Inorganic Chemistry","2011","50","","2870","2877","10.1021/ic102076g","","","0.71073","MoKα","","0.0982","0.0621","","","0.1414","0.1606","","","","","","1.051","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324757","9.0565","0.0013","22.044","0.003","20.036","0.003","90","","98.969","0.002","90","","3951.1","1","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","10093a","","","- C24.91 H51 F9.28 Fe N12 O2.72 S0.91 Sb1.09 -","- C24.9075 H51 F9.2775 Fe N12 O2.7225 S0.9075 Sb1.0925 -","- C99.63 H204 F37.11 Fe4 N48 O10.89 S3.63 Sb4.37 -","4","1","","Jason England; Erik R. Farquhar; Yisong Guo; Matthew A. Cranswick; Kallol Ray; Eckard Münck; Lawrence Que","Characterization of a Tricationic trigonal Bipyramidal Iron(IV) Cyanide Complex, with a Very High Reduction Potential, and Its Iron(II) and Iron(III) Congeners","Inorganic Chemistry","2011","50","","2885","2896","10.1021/ic102094d","","","0.71073","MoKα","","0.0778","0.0485","","","0.09","0.0989","","","","","","1.161","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324758","11.031","0.002","12.5778","0.0016","12.811","0.002","87.293","0.011","86.561","0.011","87.038","0.019","1770.2","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","09003m","","","- C25 H51 F3 Fe N12 O3 S -","- C25 H51 F3 Fe N12 O3 S -","- C50 H102 F6 Fe2 N24 O6 S2 -","2","1","","Jason England; Erik R. Farquhar; Yisong Guo; Matthew A. Cranswick; Kallol Ray; Eckard Münck; Lawrence Que","Characterization of a Tricationic trigonal Bipyramidal Iron(IV) Cyanide Complex, with a Very High Reduction Potential, and Its Iron(II) and Iron(III) Congeners","Inorganic Chemistry","2011","50","","2885","2896","10.1021/ic102094d","","","0.71073","MoKα","","0.0371","0.0305","","","0.0817","0.0865","","","","","","1.03","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324759","27.4032","0.0015","20.8832","0.0013","18.9981","0.0012","90","","97.929","0.002","90","","10768","1.1","120","2","120","2","","","","","","","synthesis","6","C 1 2/c 1","-C 2yc","15","Fe3CrC9SAc","","","- C96 H168 Cr Fe3 O20 S2 -","- C96 H168 Cr Fe3 O20 S2 -","- C384 H672 Cr4 Fe12 O80 S8 -","4","0.5","","Matteo Mannini; Erik Tancini; Lorenzo Sorace; Philippe Sainctavit; Marie-Anne Arrio; Yu Qian; Edwige Otero; Daniele Chiappe; Ludovica Margheriti; Julio C. Cezar; Roberta Sessoli; Andrea Cornia","Spin Structure of Surface-Supported Single-Molecule Magnets from Isomorphous Replacement and X-ray Magnetic Circular Dichroism","Inorganic Chemistry","2011","50","","2911","2917","10.1021/ic102184n","","","0.71073","MoKα","","0.0958","0.0651","","","0.1698","0.1988","","","","","","1.023","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324760","8.4772","0.0012","29.51","0.004","24.084","0.003","90","","91.744","0.004","90","","6022.1","1.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H45 N3 -","- C33.5 H45 N3 -","- C268 H360 N24 -","8","2","","Sarah K. Russell; Carsten Milsmann; Emil Lobkovsky; Thomas Weyhermüller; Paul J. Chirik","Synthesis, Electronic Structure, and Catalytic Activity of Reduced Bis(aldimino)pyridine Iron Compounds: Experimental Evidence for Ligand Participation","Inorganic Chemistry","2011","50","","3159","3169","10.1021/ic102186q","","","0.71073","MoKα","","0.0593","0.0438","","","0.1097","0.1198","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324761","11.9873","0.0009","13.0557","0.001","21.476","0.0017","90.002","0.003","98.795","0.003","114.35","0.003","3018.6","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 Fe2 N6 O -","- C66 H88 Fe2 N6 O -","- C132 H176 Fe4 N12 O2 -","2","1","","Sarah K. Russell; Carsten Milsmann; Emil Lobkovsky; Thomas Weyhermüller; Paul J. Chirik","Synthesis, Electronic Structure, and Catalytic Activity of Reduced Bis(aldimino)pyridine Iron Compounds: Experimental Evidence for Ligand Participation","Inorganic Chemistry","2011","50","","3159","3169","10.1021/ic102186q","","","0.71073","MoKα","","0.0772","0.046","","","0.1134","0.1319","","","","","","1.011","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324762","15.7617","0.0004","11.4631","0.0003","19.3934","0.0005","90","","91.829","0.001","90","","3502.17","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H49 Fe N5 -","- C38 H49 Fe N5 -","- C152 H196 Fe4 N20 -","4","2","","Sarah K. Russell; Carsten Milsmann; Emil Lobkovsky; Thomas Weyhermüller; Paul J. Chirik","Synthesis, Electronic Structure, and Catalytic Activity of Reduced Bis(aldimino)pyridine Iron Compounds: Experimental Evidence for Ligand Participation","Inorganic Chemistry","2011","50","","3159","3169","10.1021/ic102186q","","","0.71073","MoKα","","0.0404","0.0319","","","0.0764","0.0807","","","","","","1.02","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324763","9.0851","0.0004","12.1329","0.0006","16.6443","0.0007","94.958","0.002","104.666","0.002","109.051","0.002","1648.76","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 Fe N3 -","- C38 H52 Fe N3 -","- C76 H104 Fe2 N6 -","2","1","","Sarah K. Russell; Carsten Milsmann; Emil Lobkovsky; Thomas Weyhermüller; Paul J. Chirik","Synthesis, Electronic Structure, and Catalytic Activity of Reduced Bis(aldimino)pyridine Iron Compounds: Experimental Evidence for Ligand Participation","Inorganic Chemistry","2011","50","","3159","3169","10.1021/ic102186q","","","0.71073","MoKα","","0.0632","0.0446","","","0.1148","0.1314","","","","","","1.001","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324764","31.637","0.006","6.9058","0.0014","10.956","0.002","90","","90","","90","","2393.7","0.8","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C23 H31 Cu N3 O3 S -","- C23 H31 Cu N3 O3 S -","- C92 H124 Cu4 N12 O12 S4 -","4","0.5","","Vladimir B. Arion; Peter Rapta; Joshua Telser; Sergiu S. Shova; Martin Breza; Karol Lušpai; Jozef Kožišek","Syntheses, Electronic Structures, and EPR/UV-Vis-NIR Spectroelectrochemistry of Nickel(II), Copper(II), and Zinc(II) Complexes with a Tetradentate Ligand Based on S-Methylisothiosemicarbazide","Inorganic Chemistry","2011","50","","2918","2931","10.1021/ic102277v","","","0.71073","MoKα","","0.0536","0.0382","","","0.0887","0.0967","","","","","","1.036","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324765","32.3176","0.0019","7.2509","0.0003","21.5531","0.001","90","","109.426","0.003","90","","4763.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N3 Ni O3 S -","- C23 H31 N3 Ni O3 S -","- C184 H248 N24 Ni8 O24 S8 -","8","2","","Vladimir B. Arion; Peter Rapta; Joshua Telser; Sergiu S. Shova; Martin Breza; Karol Lušpai; Jozef Kožišek","Syntheses, Electronic Structures, and EPR/UV-Vis-NIR Spectroelectrochemistry of Nickel(II), Copper(II), and Zinc(II) Complexes with a Tetradentate Ligand Based on S-Methylisothiosemicarbazide","Inorganic Chemistry","2011","50","","2918","2931","10.1021/ic102277v","","","0.71073","MoKα","","0.116","0.0669","","","0.1585","0.1792","","","","","","1.01","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324766","10.0352","0.0013","14.3427","0.0016","17.316","0.002","78.711","0.007","79.905","0.007","87.707","0.008","2406.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N3 O3 S -","- C23 H33 N3 O3 S -","- C92 H132 N12 O12 S4 -","4","2","","Vladimir B. Arion; Peter Rapta; Joshua Telser; Sergiu S. Shova; Martin Breza; Karol Lušpai; Jozef Kožišek","Syntheses, Electronic Structures, and EPR/UV-Vis-NIR Spectroelectrochemistry of Nickel(II), Copper(II), and Zinc(II) Complexes with a Tetradentate Ligand Based on S-Methylisothiosemicarbazide","Inorganic Chemistry","2011","50","","2918","2931","10.1021/ic102277v","","","0.71073","MoKα","","0.1967","0.0673","","","0.1255","0.1672","","","","","","0.928","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324767","10.4094","0.0004","9.2257","0.0004","27.756","0.001","90","","97.096","0.002","90","","2645.1","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 N3 O4 S Zn -","- C24 H35 N3 O4 S Zn -","- C96 H140 N12 O16 S4 Zn4 -","4","1","","Vladimir B. Arion; Peter Rapta; Joshua Telser; Sergiu S. Shova; Martin Breza; Karol Lušpai; Jozef Kožišek","Syntheses, Electronic Structures, and EPR/UV-Vis-NIR Spectroelectrochemistry of Nickel(II), Copper(II), and Zinc(II) Complexes with a Tetradentate Ligand Based on S-Methylisothiosemicarbazide","Inorganic Chemistry","2011","50","","2918","2931","10.1021/ic102277v","","","0.71073","MoKα","","0.0692","0.0421","","","0.0953","0.1035","","","","","","1.033","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324768","34.687","0.003","13.8621","0.0011","9.5329","0.0006","90","","93.06","0.007","90","","4577.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H31 Cu N3 O3 -","- C23 H31 Cu N3 O3 -","- C184 H248 Cu8 N24 O24 -","8","1","","Vladimir B. Arion; Peter Rapta; Joshua Telser; Sergiu S. Shova; Martin Breza; Karol Lušpai; Jozef Kožišek","Syntheses, Electronic Structures, and EPR/UV-Vis-NIR Spectroelectrochemistry of Nickel(II), Copper(II), and Zinc(II) Complexes with a Tetradentate Ligand Based on S-Methylisothiosemicarbazide","Inorganic Chemistry","2011","50","","2918","2931","10.1021/ic102277v","","","0.71073","MoKα","","0.1079","0.0595","","","0.1394","0.1668","","","","","","1.018","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324769","19.095","0.001","19.095","0.001","50.58","0.002","90","0","90","0","120","0","15971.6","1.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C60 H98 Cd14.5 O65 -","- C60 H98 Cd14.5 O65 -","- C360 H588 Cd87 O390 -","6","0.333333","","Susan M. Vickers; Peter D. Frischmann; Mark J. MacLachlan","Family of Cadmium Acetate Coordination Networks With Structurally Diverse [Cd4(OAc)9(μ3-OH)]2- Secondary Building Units","Inorganic Chemistry","2011","50","","2957","2965","10.1021/ic1023828","","","0.71069","MoKα","","0.045","0.0371","","","0.0905","0.0977","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324770","19.06","0.002","19.06","0.002","50.017","0.006","90","0","90","0","120","0","15736","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H83 Cd14.5 O68 -","- C54 H83 Cd14.5 O68 -","- C324 H498 Cd87 O408 -","6","0.333333","","Susan M. Vickers; Peter D. Frischmann; Mark J. MacLachlan","Family of Cadmium Acetate Coordination Networks With Structurally Diverse [Cd4(OAc)9(μ3-OH)]2- Secondary Building Units","Inorganic Chemistry","2011","50","","2957","2965","10.1021/ic1023828","","","0.71073","MoKα","","0.0717","0.0515","","","0.1137","0.1304","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324771","10.989","0.003","11.088","0.003","16.011","0.005","96.271","0.011","95.918","0.011","118.105","0.008","1683.8","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16.5 Cd2.5 O11 -","- C9 H16.5 Cd2.5 O11 -","- C36 H66 Cd10 O44 -","4","2","","Susan M. Vickers; Peter D. Frischmann; Mark J. MacLachlan","Family of Cadmium Acetate Coordination Networks With Structurally Diverse [Cd4(OAc)9(μ3-OH)]2- Secondary Building Units","Inorganic Chemistry","2011","50","","2957","2965","10.1021/ic1023828","","","0.71073","MoKα","","0.0333","0.0302","","","0.0743","0.0764","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324772","10.89","0.005","15.645","0.005","20.493","0.005","90","0.005","93.224","0.005","90","0.005","3486","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 Cd5 O24 -","- C18 H38 Cd5 O24 -","- C72 H152 Cd20 O96 -","4","1","","Susan M. Vickers; Peter D. Frischmann; Mark J. MacLachlan","Family of Cadmium Acetate Coordination Networks With Structurally Diverse [Cd4(OAc)9(μ3-OH)]2- Secondary Building Units","Inorganic Chemistry","2011","50","","2957","2965","10.1021/ic1023828","","","0.71073","MoKα","","0.0728","0.0404","","","0.0733","0.0822","","","","","","1.012","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324773","20.3908","0.0016","13.4702","0.0011","17.9107","0.0015","90","","90","","90","","4919.5","0.7","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","[Mn2(Mepy-L)2(N3)3]n(Et2O)n","","","- C18 H24 Mn2 N13 O3 -","- C18 H24 Mn2 N13 O3 -","- C144 H192 Mn16 N104 O24 -","8","0.5","","Albert Escuer; Gina Vlahopoulou; Franz A. Mautner","Assembly of [MnII2MnIII2] S=9 Clusters via Azido Bridges: a New Single-Chain Magnet","Inorganic Chemistry","2011","50","","2717","2719","10.1021/ic102391e","","","0.71073","MoKα","","0.0692","0.0479","","","0.1189","0.1361","","","","","","1.089","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324774","11.8736","0.0009","13.3035","0.001","16.235","0.0012","96.101","0.001","90.613","0.001","112.865","0.001","2345.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","1,2-Bis(4-methoxyphenyl)ethene-1,2-dithiolato(1,2-bis( diphenylphosphino)benzene)palladium(II) 1,2-dicloroethane solvate","","- C50 H46 Cl4 O2 P2 Pd S2 -","- C50 H46 Cl4 O2 P2 Pd S2 -","- C100 H92 Cl8 O4 P4 Pd2 S4 -","2","1","","Kuppuswamy Arumugam; Mohammed C. Shaw; Joel T. Mague; Eckhard Bill; Stephen Sproules; James P. Donahue","Long-Range Spin Coupling: A Tetraphosphine-Bridged Palladium Dimer","Inorganic Chemistry","2011","50","","2995","3002","10.1021/ic102493g","","","0.71073","MoKα","","0.036","0.028","","","0.0641","0.0686","","","","","","1.031","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324775","20.988","0.004","28.799","0.005","31.661","0.007","80.994","0.004","76.492","0.002","76.029","0.003","17955","6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(μ-1,2,4,5-tetrakis(diphenylphosphino)benzene)bis[(1,2- bis(4-methoxyphenyl)ethene-1,2-dithiolato)palladium(II)]","","- C86 H70 O4 P4 Pd2 S4 -","- C86 H70 O4 P4 Pd2 S4 -","- C688 H560 O32 P32 Pd16 S32 -","8","4","","Kuppuswamy Arumugam; Mohammed C. Shaw; Joel T. Mague; Eckhard Bill; Stephen Sproules; James P. Donahue","Long-Range Spin Coupling: A Tetraphosphine-Bridged Palladium Dimer","Inorganic Chemistry","2011","50","","2995","3002","10.1021/ic102493g","","","0.71073","MoKα","","0.1434","0.078","","","0.1627","0.1775","","","","","","1.18","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324776","17.1923","0.0018","14.0443","0.0014","17.9339","0.0018","90","","94.32","0.002","90","","4317.9","0.8","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Cl2 Fe O4 P4 -","- C45 H52 Cl2 Fe O4 P4 -","- C180 H208 Cl8 Fe4 O16 P16 -","4","1","","Barun Jana; Arkady Ellern; Oleg Pestovsky; Aaron Sadow; Andreja Bakac","Synthesis of Monomeric Fe(II) and Ru(II) Complexes of Tetradentate Phosphines","Inorganic Chemistry","2011","50","","3010","3016","10.1021/ic102510c","","","0.71073","MoKα","","0.1017","0.0661","","","0.1544","0.1709","","","","","","1.054","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324777","9.4019","0.0011","34.565","0.004","22.463","0.003","90","","99.51","0.002","90","","7199.6","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sad170, Barun Jana, Sadow","","","- C41 H40 Br2 Fe P4 -","- C41 H40 Br2 Fe P4 -","- C328 H320 Br16 Fe8 P32 -","8","2","","Barun Jana; Arkady Ellern; Oleg Pestovsky; Aaron Sadow; Andreja Bakac","Synthesis of Monomeric Fe(II) and Ru(II) Complexes of Tetradentate Phosphines","Inorganic Chemistry","2011","50","","3010","3016","10.1021/ic102510c","","","0.71073","MoKα","","0.0843","0.0487","","","0.0859","0.0946","","","","","","1.025","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324778","14.2231","0.0005","21.1502","0.0007","14.9845","0.0005","90","","101.704","0.001","90","","4413.9","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 Cl6 P4 Ru -","- C43 H44 Cl6 P4 Ru -","- C172 H176 Cl24 P16 Ru4 -","4","1","","Barun Jana; Arkady Ellern; Oleg Pestovsky; Aaron Sadow; Andreja Bakac","Synthesis of Monomeric Fe(II) and Ru(II) Complexes of Tetradentate Phosphines","Inorganic Chemistry","2011","50","","3010","3016","10.1021/ic102510c","","","0.71073","MoKα","","0.0401","0.0309","","","0.0727","0.0786","","","","","","1.018","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324779","10.2534","0.0011","17.0313","0.0018","21.745","0.002","90","","98.333","0.002","90","","3757.2","0.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 Fe O P4 -","- C42 H40 Cl2 Fe O P4 -","- C168 H160 Cl8 Fe4 O4 P16 -","4","1","","Barun Jana; Arkady Ellern; Oleg Pestovsky; Aaron Sadow; Andreja Bakac","Synthesis of Monomeric Fe(II) and Ru(II) Complexes of Tetradentate Phosphines","Inorganic Chemistry","2011","50","","3010","3016","10.1021/ic102510c","","","0.71073","MoKα","","0.0819","0.0429","","","0.0811","0.0935","","","","","","1.018","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324780","24.1508","0.0008","21.6884","0.0008","23.7433","0.0008","90","","116.655","0.001","90","","11114.8","0.7","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 F6 Fe N2 O8 P4 S2 -","- C53 H52 F6 Fe N2 O8 P4 S2 -","- C424 H416 F48 Fe8 N16 O64 P32 S16 -","8","2","","Barun Jana; Arkady Ellern; Oleg Pestovsky; Aaron Sadow; Andreja Bakac","Synthesis of Monomeric Fe(II) and Ru(II) Complexes of Tetradentate Phosphines","Inorganic Chemistry","2011","50","","3010","3016","10.1021/ic102510c","","","0.71073","MoKα","","0.0875","0.0479","","","0.121","0.1427","","","","","","1.028","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324781","15.3458","0.0005","17.1552","0.0004","19.7831","0.0005","90","","112.048","0.001","90","","4827.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H61 Hf N2 O4 -","- C40 H61 Hf N2 O4 -","- C160 H244 Hf4 N8 O16 -","4","1","","Tanmoy Kumar Saha; Venkatachalam Ramkumar; Debashis Chakraborty","Salen Complexes of Zirconium and Hafnium: Synthesis, Structural Characterization, Controlled Hydrolysis, and Solvent-Free Ring-Opening Polymerization of Cyclic Esters and Lactides","Inorganic Chemistry","2011","50","","2720","2722","10.1021/ic1025262","","","0.71073","MoKα","","0.0729","0.0546","","","0.1736","0.1862","","","","","","1.123","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324782","10.6139","0.0008","26.9865","0.0019","11.2087","0.0008","90","","99.814","0.004","90","","3163.5","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27.94 H44 Cl N O4 Zr -","- C27.94 H44 Cl N O4 Zr -","- C111.76 H176 Cl4 N4 O16 Zr4 -","4","2","","Tanmoy Kumar Saha; Venkatachalam Ramkumar; Debashis Chakraborty","Salen Complexes of Zirconium and Hafnium: Synthesis, Structural Characterization, Controlled Hydrolysis, and Solvent-Free Ring-Opening Polymerization of Cyclic Esters and Lactides","Inorganic Chemistry","2011","50","","2720","2722","10.1021/ic1025262","","","0.71073","MoKα","","0.1162","0.0881","","","0.2212","0.2373","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324783","9.715","0.005","16.042","0.009","13.639","0.007","90","","93.66","0.04","90","","2121","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","triphenyl[(1,2λ^4^σ^3^,3-benzodithiazol-2-yl)imino]-λ^5^- phosphane","","- C24 H19 N2 P S2 -","- C24 H19 N2 P S2 -","- C96 H76 N8 P4 S8 -","4","1","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.0801","0.05","","","0.102","0.1169","","","","","","1.081","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324784","13.628","0.001","9.2143","0.0007","19.3762","0.0013","90","","96.73","0.005","90","","2416.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","triphenyl[(5,6-difluoro-1,2λ^4^σ^3^,3-benzodithiazol-2-yl)imino]- λ^5^-phosphane","","- C27 H20 F2 N2 P S2 -","- C27 H20 F2 N2 P S2 -","- C108 H80 F8 N8 P4 S8 -","4","1","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.0604","0.0419","","","0.1036","0.1145","","","","","","1.009","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324785","21.8034","0.0012","9.0335","0.0005","22.102","0.0014","90","","98.383","0.003","90","","4306.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","triphenyl[(4,5,7-trifluoro-1,2λ^4^σ^3^,3-benzodithiazol-2-yl)imino]- λ^5^-phosphane","","- C24 H16 F3 N2 P S2 -","- C24 H16 F3 N2 P S2 -","- C192 H128 F24 N16 P8 S16 -","8","1","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.057","0.043","","","0.1076","0.119","","","","","","1.052","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324786","22.3041","0.0015","9.0226","0.0006","21.9604","0.0015","90","","98.95","0.003","90","","4365.5","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","triphenyl[(4,5,7-trifluoro-2λ^4^σ^3^,1,3-benzothiaselenazol- 2-yl)imino]-λ^5^-phosphane","","- C24 H16 F3 N2 P S Se -","- C24 H16 F3 N2 P S Se -","- C192 H128 F24 N16 P8 S8 Se8 -","8","1","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.0459","0.0364","","","0.0934","0.0992","","","","","","1.047","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324787","25.52","0.003","3.8358","0.0005","31.309","0.004","90","","90","","90","","3064.8","0.7","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","5,6,8-trifluoro-3λ^4^σ^2^,1,2,4-benzothiaselenadiazine","","- C6 H F3 N2 S Se -","- C6 H F3 N2 S Se -","- C96 H16 F48 N32 S16 Se16 -","16","4","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.0698","0.043","","","0.0923","0.1091","","","","","","1.04","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324788","9.106","0.002","4.7383","0.0014","10.307","0.003","90","","115.677","0.015","90","","400.8","0.19","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-{[(oxo-λ^4^-sulfanylidene)amino]sulfanyl}aniline","","- C6 H6 N2 O S2 -","- C6 H6 N2 O S2 -","- C12 H12 N4 O2 S4 -","2","1","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.0573","0.0437","","","0.101","0.1132","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324789","14.2167","0.0008","3.681","0.0002","7.8017","0.0004","90","","90","","90","","408.28","0.04","173","2","173","2","","","","","","","","3","P m n 21","P 2ac -2","31","","benzo[1,2-c:3,4-c': 5,6-c'']tris[1,2,5]thiadiazole","","- C6 N6 S3 -","- C6 N6 S3 -","- C12 N12 S6 -","2","0.5","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.028","0.0256","","","0.06","0.0608","","","","","","1.027","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324790","12.166","0.003","5.389","0.001","12.325","0.003","90","","111.33","0.01","90","","752.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2,3,4,8,9,10,11-octafluoro-7',14'- dibenzo[d,i][1,2,6,7,3,8]tetrathiadiazecine","","- C12 H2 F8 N2 S4 -","- C12 H2 F8 N2 S4 -","- C24 H4 F16 N4 S8 -","2","0.5","","Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev","Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products","Inorganic Chemistry","2011","50","","3017","3027","10.1021/ic102565x","","","0.71073","MoKα","","0.058","0.0401","","","0.1024","0.1122","","","","","","1.022","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324791","11.242","0.0007","11.5555","0.0007","14.8291","0.0009","78.577","0.001","74.86","0.001","71.912","0.001","1753.22","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H49 N3 O Si -","- C41 H49 N3 O Si -","- C82 H98 N6 O2 Si2 -","2","1","","Ramachandran Azhakar; Sankaranarayana Pillai Sarish; Gašper Tavčar; Herbert W. Roesky; Jakob Hey; Dietmar Stalke; Debasis Koley","Formation of Silicon Centered Spirocyclic Compounds: Reaction of N-Heterocyclic Stable Silylene with Benzoylpyridine, Diisopropyl Azodicarboxylate, and 1,2-Diphenylhydrazine","Inorganic Chemistry","2011","50","","3028","3036","10.1021/ic102566c","","","0.71073","MoKα","","0.0503","0.0399","","","0.0924","0.0977","","","","","","1.021","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324792","16.6931","0.0014","12.1192","0.001","17.9703","0.0015","90","","90","","90","","3635.5","0.5","99","2","99","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H54 N4 O4 Si -","- C37 H54 N4 O4 Si -","- C148 H216 N16 O16 Si4 -","4","1","","Ramachandran Azhakar; Sankaranarayana Pillai Sarish; Gašper Tavčar; Herbert W. Roesky; Jakob Hey; Dietmar Stalke; Debasis Koley","Formation of Silicon Centered Spirocyclic Compounds: Reaction of N-Heterocyclic Stable Silylene with Benzoylpyridine, Diisopropyl Azodicarboxylate, and 1,2-Diphenylhydrazine","Inorganic Chemistry","2011","50","","3028","3036","10.1021/ic102566c","","","0.71073","MoKα","","0.0322","0.0293","","","0.0719","0.0737","","","","","","1.057","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324793","10.989","0.0017","12.566","0.002","12.909","0.002","92.357","0.003","93.727","0.003","90.731","0.004","1777.1","0.5","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H50 N4 Si -","- C41 H50 N4 Si -","- C82 H100 N8 Si2 -","2","1","","Ramachandran Azhakar; Sankaranarayana Pillai Sarish; Gašper Tavčar; Herbert W. Roesky; Jakob Hey; Dietmar Stalke; Debasis Koley","Formation of Silicon Centered Spirocyclic Compounds: Reaction of N-Heterocyclic Stable Silylene with Benzoylpyridine, Diisopropyl Azodicarboxylate, and 1,2-Diphenylhydrazine","Inorganic Chemistry","2011","50","","3028","3036","10.1021/ic102566c","","","0.71073","MoKα","","0.0584","0.0405","","","0.0895","0.0979","","","","","","1.03","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324794","14.805","0.007","8.516","0.004","13.514","0.01","90","","113.942","0.005","90","","1557.2","1.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B7 Ba3 Ge2 H5 O20 -","- B7 Ba3 Ge2 H3 O20 -","- B28 Ba12 Ge8 H12 O80 -","4","1","","Jian-Han Zhang; Fang Kong; Jiang-Gao Mao","Ba3[Ge2B7O16(OH)2](OH)(H2O) and Ba3Ge2B6O16: Novel Alkaline-Earth Borogermanates Based on Two Types of Polymeric Borate Units and GeO4 Tetrahedra","Inorganic Chemistry","2011","50","","3037","3043","10.1021/ic1025697","","","0.71073","MoKα","","0.0297","0.0288","","","0.0675","0.0684","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324795","5.0923","0.0005","7.5996","0.0006","8.5973","0.0007","77.497","0.017","77.527","0.016","88.17","0.02","317.12","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- B6 Ba3 Ge2 O16 -","- B6 Ba3 Ge2 O16 -","- B6 Ba3 Ge2 O16 -","1","0.5","","Jian-Han Zhang; Fang Kong; Jiang-Gao Mao","Ba3[Ge2B7O16(OH)2](OH)(H2O) and Ba3Ge2B6O16: Novel Alkaline-Earth Borogermanates Based on Two Types of Polymeric Borate Units and GeO4 Tetrahedra","Inorganic Chemistry","2011","50","","3037","3043","10.1021/ic1025697","","","0.71073","MoKα","","0.037","0.0348","","","0.0815","0.0833","","","","","","1.062","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324796","13.031","0.002","18.932","0.002","5.767","0.0006","90","","90","","90","","1422.7","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La4 P9 Rh8 -","- La4 P9 Rh8 -","- La16 P36 Rh32 -","4","0.25","","Ulrike Pfannenschmidt; Dirk Johrendt; Frederik Behrends; Hellmut Eckert; Matthias Eul; Rainer Pöttgen","P22- and P3- Units in the [Rh8P9]δ- Polyanion of La4Rh8P9","Inorganic Chemistry","2011","50","","3044","3051","10.1021/ic102570x","","","0.71073","MoKα","","0.0267","0.0181","","","0.0268","0.0279","","","","","","1.011","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324797","12.9946","0.0019","13.2845","0.0019","14.28","0.002","63.471","0.002","88.233","0.003","88.2","0.003","2204.1","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Gd2 N4 Na2 O36 -","- C28 H44 Gd2 N4 Na2 O36 -","- C56 H88 Gd4 N8 Na4 O72 -","2","1","","Claire Butler; Sandrine Goetz; Christopher M. Fitchett; Paul E. Kruger; Thorfinnur Gunnlaugsson","Spontaneous Formation of Novel Luminescent Dinuclear Lanthanide Complexes That Emit in the Visible and Near-IR Regions","Inorganic Chemistry","2011","50","","2723","2725","10.1021/ic102578k","","","0.71073","MoKα","","0.0486","0.0396","","","0.0962","0.1018","","","","","","0.946","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324798","12.989","0.002","13.276","0.002","14.275","0.003","63.496","0.003","88.081","0.003","88.183","0.003","2201.3","0.7","170","2","119","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 Eu2 N4 Na2 O36 -","- C28 H46 Eu2 N4 Na2 O36 -","- C56 H92 Eu4 N8 Na4 O72 -","2","1","","Claire Butler; Sandrine Goetz; Christopher M. Fitchett; Paul E. Kruger; Thorfinnur Gunnlaugsson","Spontaneous Formation of Novel Luminescent Dinuclear Lanthanide Complexes That Emit in the Visible and Near-IR Regions","Inorganic Chemistry","2011","50","","2723","2725","10.1021/ic102578k","","","0.71073","MoKα","","0.0504","0.0432","","","0.1116","0.1172","","","","","","1.036","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324799","13.0299","0.0017","13.2643","0.0018","14.2982","0.0019","63.553","0.002","87.863","0.003","88.17","0.003","2210.7","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 N4 Na2 Nd2 O35.5 -","- C28 H46 N4 Na2 Nd2 O35.5 -","- C56 H92 N8 Na4 Nd4 O71 -","2","1","","Claire Butler; Sandrine Goetz; Christopher M. Fitchett; Paul E. Kruger; Thorfinnur Gunnlaugsson","Spontaneous Formation of Novel Luminescent Dinuclear Lanthanide Complexes That Emit in the Visible and Near-IR Regions","Inorganic Chemistry","2011","50","","2723","2725","10.1021/ic102578k","","","0.71073","MoKα","","0.0518","0.0433","","","0.1079","0.1133","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324800","9.514","0.0007","13.0947","0.001","13.2183","0.001","89.994","0.002","86.119","0.003","75.89","0.002","1593.2","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 B2 F8 Fe N6 O4 -","- C30 H32 B2 F8 Fe N6 O4 -","- C60 H64 B4 F16 Fe2 N12 O8 -","2","1","","Ian A. Gass; Christopher J. Gartshore; David W. Lupton; Boujemaa Moubaraki; Ayman Nafady; Alan M. Bond; John F. Boas; John D. Cashion; Carsten Milsmann; Karl Wieghardt; Keith S. Murray","Anion Dependent Redox Changes in Iron Bis-terdentate Nitroxide {NNO} Chelates","Inorganic Chemistry","2011","50","","3052","3064","10.1021/ic102588h","","","0.71073","MoKα","","0.0878","0.0541","","","0.1192","0.1346","","","","","","1.043","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324801","8.4571","0.0007","12.7587","0.0009","23.0359","0.0016","74.257","0.002","80.636","0.002","71.623","0.002","2262.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H53 B Fe N6 O4.5 -","- C54 H52 B Fe N6 O4.5 -","- C108 H104 B2 Fe2 N12 O9 -","2","1","","Ian A. Gass; Christopher J. Gartshore; David W. Lupton; Boujemaa Moubaraki; Ayman Nafady; Alan M. Bond; John F. Boas; John D. Cashion; Carsten Milsmann; Karl Wieghardt; Keith S. Murray","Anion Dependent Redox Changes in Iron Bis-terdentate Nitroxide {NNO} Chelates","Inorganic Chemistry","2011","50","","3052","3064","10.1021/ic102588h","","","0.71073","MoKα","","0.0855","0.0668","","","0.1234","0.1315","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324802","19.964","0.002","10.3259","0.0011","20.967","0.002","90","","102.277","0.002","90","","4223.4","0.7","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Ag7 N17 O21.5 -","- C26 H26 Ag7 N17 O21.5 -","- C104 H104 Ag28 N68 O86 -","4","1","","Agnes Mrutu; Diane A. Dickie; Karen I. Goldberg; Richard A. Kemp","A Unique Three-Dimensional Coordination Cluster Based on a Silver Carbene Complex","Inorganic Chemistry","2011","50","","2729","2731","10.1021/ic200029c","","","0.71073","MoKα","","0.0399","0.0377","","","0.0998","0.1013","","","","","","1.141","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324803","8.177","0.005","6.835","0.005","11.13","0.005","90","0.005","90","0.005","90","0.005","622.1","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,1'-azobistetrazole","","","- C H N5 -","- C H N5 -","- C8 H8 N40 -","8","1","","Thomas M. Klapötke; Davin G. Piercey","1,1'-Azobis(tetrazole): A Highly Energetic Nitrogen-Rich Compound with a N10 Chain","Inorganic Chemistry","2011","50","","2732","2734","10.1021/ic200071q","","","0.71073","MoKα","","0.0701","0.047","","","0.1259","0.1362","","","","","","1.072","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324804","10.9858","0.0007","11.3168","0.0014","12.5769","0.0008","102.08","0.001","115.41","0.001","103.172","0.001","1288.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Compound 2","","","- C13 H27 Cl2 F6 N5 O7 Pt -","- C13 H27 Cl2 F6 N5 O7 Pt -","- C26 H54 Cl4 F12 N10 O14 Pt2 -","2","1","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0187","0.0176","","","0.0447","0.0452","","","","","","1.059","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324805","8.9361","0.001","10.5917","0.0012","16.762","0.002","89.1","0.002","89.454","0.002","72.258","0.002","1510.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Compound 4","","","- C16 H44 Cl2 N4 O7 Pt S3 -","- C16 H44 Cl2 N4 O7 Pt S3 -","- C32 H88 Cl4 N8 O14 Pt2 S6 -","2","1","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.029","0.0232","","","0.0524","0.0545","","","","","","1.042","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324806","9.0048","0.0009","12.6877","0.0013","13.2385","0.0014","116.484","0.002","93.069","0.002","92.288","0.002","1348.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Compound 5","","","- C18 H40 Cl2 N6 O6 Pt -","- C18 H40 Cl2 N6 O6 Pt -","- C36 H80 Cl4 N12 O12 Pt2 -","2","1","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0238","0.0217","","","0.0492","0.05","","","","","","1.039","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324807","25.5442","0.0017","10.7982","0.0007","20.7211","0.0013","90","","90","","90","","5715.5","0.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","Compound 6","","","- C18 H42 Cl2 N4 O6 Pt S2 -","- C18 H42.0012 Cl2 N4 O6 Pt S2 -","- C144 H336.01 Cl16 N32 O48 Pt8 S16 -","8","1","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0427","0.0248","","","0.0499","0.0566","","","","","","1.021","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324808","11.553","0.0005","31.3292","0.0013","13.507","0.0006","90","","109.738","0.001","90","","4601.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 7","","","- C16 H25 Cl2 N4 O5.5 Pt S -","- C16 H25 Cl2 N4 O5.5 Pt S -","- C128 H200 Cl16 N32 O44 Pt8 S8 -","8","2","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0344","0.0245","","","0.0467","0.0496","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324809","11.6514","0.0007","14.7016","0.0008","18.427","0.0011","68.78","0.001","78.984","0.001","84.302","0.001","2886.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Compound_8","","","- C20 H35 Cl2 N4 O6.74 Pt S2 -","- C20 H34.997 Cl2 N4 O6.7435 Pt S2 -","- C80 H139.988 Cl8 N16 O26.974 Pt4 S8 -","4","2","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0436","0.0316","","","0.0718","0.0806","","","","","","1.029","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324810","18.9166","0.001","9.5089","0.0005","13.7632","0.0007","90","","92.579","0.001","90","","2473.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 9","","","- C19 H28 Cl2 N4 O7 Pt -","- C19 H28 Cl2 N4 O7 Pt -","- C76 H112 Cl8 N16 O28 Pt4 -","4","1","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0282","0.021","","","0.0457","0.0487","","","","","","1.026","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324811","18.0923","0.0007","7.0254","0.0003","26.498","0.0011","90","","104.031","0.001","90","","3267.6","0.2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound 10","","","- C24.5 H40.5 Cl2 F2 N7.5 O7.5 Pt -","- C24.5 H40.5 Cl2 F2 N7.5 O7.5 Pt -","- C98 H162 Cl8 F8 N30 O30 Pt4 -","4","2","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0283","0.0227","","","0.0508","0.057","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324812","11.7178","0.0014","12.019","0.0015","13.2152","0.0016","87.17","0.002","77.548","0.002","75.264","0.002","1757.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Compound 11","","","- C31 H43 Cl2 N7 O7 Pt -","- C31 H42.9976 Cl2 N7 O7 Pt -","- C62 H85.9952 Cl4 N14 O14 Pt2 -","2","1","","Justin J. Wilson; Stephen J. Lippard","Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes","Inorganic Chemistry","2011","50","","3103","3115","10.1021/ic2000816","","","0.71073","MoKα","","0.0227","0.0191","","","0.0409","0.0421","","","","","","1.037","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324813","13.718","0.0005","23.2233","0.0008","26.1448","0.0009","90","","100.094","0.002","90","","8200.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H112 Cl K N8 O8 Zn2 -","- C90 H112 Cl K N8 O8 Zn2 -","- C360 H448 Cl4 K4 N32 O32 Zn8 -","4","1","","Aline M. J. Devoille; Patricia Richardson; Nathan L. Bill; Jonathan L. Sessler; Jason B. Love","Selective Anion Binding by a Cofacial Binuclear Zinc Complex of a Schiff-Base Pyrrole Macrocycle","Inorganic Chemistry","2011","50","","3116","3126","10.1021/ic200082r","","","0.71073","MoKα","","0.0955","0.0708","","","0.1446","0.1551","","","","","","1.161","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324814","11.9461","0.0004","13.4711","0.0004","23.2772","0.0008","79.147","0.002","77.062","0.002","83.35","0.002","3574.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H97 Li N8 O7 Zn2 -","- C82 H97 Li N8 O7 Zn2 -","- C164 H194 Li2 N16 O14 Zn4 -","2","1","","Aline M. J. Devoille; Patricia Richardson; Nathan L. Bill; Jonathan L. Sessler; Jason B. Love","Selective Anion Binding by a Cofacial Binuclear Zinc Complex of a Schiff-Base Pyrrole Macrocycle","Inorganic Chemistry","2011","50","","3116","3126","10.1021/ic200082r","","","0.71073","MoKα","","0.0662","0.0502","","","0.1122","0.1197","","","","","","1.054","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324815","20.593","0.003","15.3523","0.0017","21.653","0.003","90","","111.061","0.007","90","","6388.3","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H85 N9 O Zn2 -","- C74 H85 N9 O Zn2 -","- C296 H340 N36 O4 Zn8 -","4","1","","Aline M. J. Devoille; Patricia Richardson; Nathan L. Bill; Jonathan L. Sessler; Jason B. Love","Selective Anion Binding by a Cofacial Binuclear Zinc Complex of a Schiff-Base Pyrrole Macrocycle","Inorganic Chemistry","2011","50","","3116","3126","10.1021/ic200082r","","","0.71073","MoKα","","0.1217","0.1047","","","0.2007","0.2076","","","","","","1.338","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324816","17.6731","0.0015","22.61","0.002","11.5115","0.0009","90","","107.23","0.006","90","","4393.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54.13 H32.25 Cl0.25 Mn N8 -","- C54 H32 Mn N8 -","- C216 H128 Mn4 N32 -","4","1","","Jordan L. Arthur; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Stabilization of Magnetic Ordering Observed for the Bridging NCN Group","Inorganic Chemistry","2011","50","","2735","2737","10.1021/ic200083j","","","1.54178","CuKα","","0.0742","0.0563","","","0.1382","0.1474","","","","","","1.011","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324817","12.979","0.0005","12.2232","0.0005","15.0473","0.0005","90","","90","","90","","2387.18","0.16","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C21 H21 B2 F8 Fe N5 O -","- C21 H21 B2 F8 Fe N5 O -","- C84 H84 B8 F32 Fe4 N20 O4 -","4","1","","Margarita A. Gonzalez; Nicole L. Fry; Richard Burt; Riddhi Davda; Adrian Hobbs; Pradip K. Mascharak","Designed Iron Carbonyls as Carbon Monoxide (CO) Releasing Molecules: Rapid CO Release and Delivery to Myoglobin in Aqueous Buffer, and Vasorelaxation of Mouse Aorta","Inorganic Chemistry","2011","50","","3127","3134","10.1021/ic2000848","","","0.7749","synchrotron","","0.0833","0.0648","","","0.1766","0.1952","","","","","","1.036","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324818","11.2223","0.0017","12.396","0.0018","15.945","0.002","69.818","0.002","76.442","0.002","74.736","0.002","1983.1","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H37 Cl3 Ir N2 O3 P2 -","- C40 H37 Cl3 Ir N2 O3 P2 -","- C80 H74 Cl6 Ir2 N4 O6 P4 -","2","1","","D. Scott Bohle; Zhijie Chua","N-H Activation in N-Nitropropionamide: Coordination Chemistry of a Primary Nitroamide","Inorganic Chemistry","2011","50","","3135","3140","10.1021/ic200090u","","","0.71073","MoKα","","0.04","0.0327","","","0.0823","0.0878","","","","","","1.047","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324819","4.897","0.002","5.952","0.003","8.852","0.004","90","","100.975","0.005","90","","253.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C6 H12 N4 O6 -","2","0.5","","D. Scott Bohle; Zhijie Chua","N-H Activation in N-Nitropropionamide: Coordination Chemistry of a Primary Nitroamide","Inorganic Chemistry","2011","50","","3135","3140","10.1021/ic200090u","","","0.71073","MoKα","","0.0331","0.0306","","","0.0827","0.0851","","","","","","1.092","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324820","18.7201","0.0009","15.0754","0.0008","19.425","0.001","90","","106.241","0.003","90","","5263.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Mn3 N4 O16 S6 -","- C42 H40 Mn3 N4 O16 S6 -","- C168 H160 Mn12 N16 O64 S24 -","4","0.5","","Jiao Zhao; Xiu-Li Wang; Xin Shi; Qi-Hua Yang; Can Li","Synthesis, Structure, and Photoluminescent Properties of Metal-Organic Coordination Polymers Assembled with Bithiophenedicarboxylic Acid","Inorganic Chemistry","2011","50","","3198","3205","10.1021/ic101112b","","","0.71073","MoKα","","0.1443","0.0835","","","0.2448","0.289","","","","","","1.036","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324821","6.5472","0.0001","22.5911","0.0005","16.3206","0.0003","90","","92.668","0.002","90","","2411.34","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Co N3 O7 S2 -","- C19 H25 Co N3 O7 S2 -","- C76 H100 Co4 N12 O28 S8 -","4","1","","Jiao Zhao; Xiu-Li Wang; Xin Shi; Qi-Hua Yang; Can Li","Synthesis, Structure, and Photoluminescent Properties of Metal-Organic Coordination Polymers Assembled with Bithiophenedicarboxylic Acid","Inorganic Chemistry","2011","50","","3198","3205","10.1021/ic101112b","","","0.71073","MoKα","","0.0441","0.0354","","","0.0773","0.0811","","","","","","1.078","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324822","6.5934","0.0012","22.791","0.004","16.307","0.003","90","","92.755","0.003","90","","2447.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N3 O7 S2 Zn -","- C19 H25 N3 O7 S2 Zn -","- C76 H100 N12 O28 S8 Zn4 -","4","1","","Jiao Zhao; Xiu-Li Wang; Xin Shi; Qi-Hua Yang; Can Li","Synthesis, Structure, and Photoluminescent Properties of Metal-Organic Coordination Polymers Assembled with Bithiophenedicarboxylic Acid","Inorganic Chemistry","2011","50","","3198","3205","10.1021/ic101112b","","","0.71073","MoKα","","0.1167","0.0481","","","0.0734","0.0894","","","","","","1.015","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324823","17.7608","0.0004","21.7728","0.0004","9.4874","0.0002","90","","109.188","0.002","90","","3464.98","0.13","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 N O4 S2 Zn -","- C15 H8 N O4 S2 Zn -","- C120 H64 N8 O32 S16 Zn8 -","8","1","","Jiao Zhao; Xiu-Li Wang; Xin Shi; Qi-Hua Yang; Can Li","Synthesis, Structure, and Photoluminescent Properties of Metal-Organic Coordination Polymers Assembled with Bithiophenedicarboxylic Acid","Inorganic Chemistry","2011","50","","3198","3205","10.1021/ic101112b","","","1.54184","CuKα","","0.0436","0.0387","","","0.1053","0.108","","","","","","1.044","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324824","24.255","0.006","8.473","0.002","20.757","0.006","90","","90","","90","","4265.8","1.9","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 H12 Cl Cu N4 O4 -","- C96 H144 Cl12 Cu12 N48 O48 -","12","3","","Moushumi Sarma; Biplab Mondal","Nitric Oxide Reduction of Copper(II) Complexes: Spectroscopic Evidence of Copper(II)-Nitrosyl Intermediate","Inorganic Chemistry","2011","50","","3206","3212","10.1021/ic1011988","","","0.71073","MoKα","","0.0662","0.0444","","","0.1051","0.1163","","","","","","1.04","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324825","7.6342","0.0006","7.9821","0.0006","7.9904","0.0007","106.742","0.004","95.757","0.004","108.833","0.003","431.16","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl2 Cu N4 O8 -","- C12 H16 Cl2 Cu N4 O8 -","- C12 H16 Cl2 Cu N4 O8 -","1","0.5","","Moushumi Sarma; Biplab Mondal","Nitric Oxide Reduction of Copper(II) Complexes: Spectroscopic Evidence of Copper(II)-Nitrosyl Intermediate","Inorganic Chemistry","2011","50","","3206","3212","10.1021/ic1011988","","","0.71073","MoKα","","0.0642","0.0607","","","0.1766","0.1783","","","","","","1.274","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324826","24.2059","0.0003","24.2059","0.0003","13.32","0.0002","90","","90","","90","","7804.53","0.18","293","2","293","2","","","","","","","synthesis as described","6","P 4/n :2","-P 4a","85","Compound X","","","- C40 H32 Cu4 N36 O10.5 W3 -","- C40 H32 Cu4 N36 O10.4 W3 -","- C160 H128 Cu16 N144 O41.6 W12 -","4","0.5","","Robert Podgajny; Robert Pełka; Cédric Desplanches; Laurent Ducasse; Wojciech Nitek; Tomasz Korzeniak; Olaf Stefanczyk; Michał Rams; Barbara Sieklucka; Michel Verdaguer","W-Knotted Chain {[CuII(dien)]4[WV(CN)8]}5+\ιnfty: Synthesis, Crystal Structure, Magnetism, and Theory","Inorganic Chemistry","2011","50","","3213","3222","10.1021/ic101335a","","x-ray","0.71073","MoKα","","0.0977","0.0719","","","0.1902","0.2152","","","","71.283","71.283","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324827","13.2837","0.0014","16.1744","0.0018","17.2619","0.0018","111.105","0.002","90.5271","0.0019","103.638","0.0013","3344.3","0.6","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H23 Co F9 N4 P -","- C40 H23 Co F9 N4 P -","- C160 H92 Co4 F36 N16 P4 -","4","2","","Thomas, Kolle E.; Conradie, Jeanet; Hansen, Lars Kristian; Ghosh, Abhik","Corroles Cannot Ruffle","Inorganic Chemistry","2011","50","8","3247","3251","10.1021/ic1017032","","","0.7107","MoKα","","","0.0507","","","","0.0625","","","","","","1.029","","","","has coordinates","210344","2020-10-21","18:00:00",""
"4324828","24.97","0.02","4.368","0.003","22.706","0.019","90","","116.366","0.015","90","","2219","3","293.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H8 Cu F12 N4 -","- C24 H8 Cu F12 N4 -","- C96 H32 Cu4 F48 N16 -","4","1","","Thomas, Kolle E.; Conradie, Jeanet; Hansen, Lars Kristian; Ghosh, Abhik","Corroles Cannot Ruffle","Inorganic Chemistry","2011","50","8","3247","3251","10.1021/ic1017032","","","0.7107","MoKα","","","0.0462","","","","0.0765","","","","","","1.332","","","","has coordinates","210344","2020-10-21","18:00:00",""
"4324829","7.0939","0.0014","12.542","0.003","21.535","0.004","90","","90","","90","","1916","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Rampal Pandey; Prashant Kumar; Ashish Kumar Singh; Mohammad Shahid; Pei-zhou Li; Sanjay Kumar Singh; Qiang Xu; Arvind Misra; Daya Shankar Pandey","Fluorescent Zinc(II) Complex Exhibiting ""On-Off-On"" Switching Toward Cu2+ and Ag+ Ions","Inorganic Chemistry","2011","50","","3189","3197","10.1021/ic1018086","","","0.71073","MoKα","","0.1102","0.0478","","","0.0875","0.1094","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324830","10.536","0.002","15.095","0.003","13.134","0.003","90","","111.13","0.03","90","","1948.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O2 Zn -","- C23 H20 N2 O2 Zn -","- C92 H80 N8 O8 Zn4 -","4","1","","Rampal Pandey; Prashant Kumar; Ashish Kumar Singh; Mohammad Shahid; Pei-zhou Li; Sanjay Kumar Singh; Qiang Xu; Arvind Misra; Daya Shankar Pandey","Fluorescent Zinc(II) Complex Exhibiting ""On-Off-On"" Switching Toward Cu2+ and Ag+ Ions","Inorganic Chemistry","2011","50","","3189","3197","10.1021/ic1018086","","","0.71073","MoKα","","0.1602","0.0624","","","0.0993","0.1432","","","","","","1.07","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324831","8.2097","0.0016","17.96","0.004","14.016","0.003","90","","103.09","0.03","90","","2012.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cu N2 O3 -","- C23 H22 Cu N2 O3 -","- C92 H88 Cu4 N8 O12 -","4","1","","Rampal Pandey; Prashant Kumar; Ashish Kumar Singh; Mohammad Shahid; Pei-zhou Li; Sanjay Kumar Singh; Qiang Xu; Arvind Misra; Daya Shankar Pandey","Fluorescent Zinc(II) Complex Exhibiting ""On-Off-On"" Switching Toward Cu2+ and Ag+ Ions","Inorganic Chemistry","2011","50","","3189","3197","10.1021/ic1018086","","","0.71073","MoKα","","0.2012","0.1005","","","0.1364","0.1686","","","","","","1.05","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324832","10.8611","0.0004","7.5079","0.0003","22.4799","0.001","90","","91.754","0.001","90","","1832.24","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl2 N2 Ru -","- C18 H15 Cl2 N2 Ru -","- C72 H60 Cl8 N8 Ru4 -","4","1","","Subhas Samanta; Sreebrata Goswami","Tuning of the o-Carom-N Bond-Formation Reactivity of Aniline Using Ruthenium(II) Templates","Inorganic Chemistry","2011","50","","3171","3173","10.1021/ic101868w","","","0.71073","MoKα","","0.0287","0.0257","","","0.0682","0.0714","","","","","","0.834","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324833","9.6175","0.0005","12.5255","0.0006","26.5721","0.0012","90","","98.095","0.001","90","","3169.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 F6 N2 P2 Ru -","- C35 H25 F6 N2 P2 Ru -","- C140 H100 F24 N8 P8 Ru4 -","4","1","","Subhas Samanta; Sreebrata Goswami","Tuning of the o-Carom-N Bond-Formation Reactivity of Aniline Using Ruthenium(II) Templates","Inorganic Chemistry","2011","50","","3171","3173","10.1021/ic101868w","","","0.71073","MoKα","","0.091","0.0654","","","0.1469","0.1588","","","","","","1.081","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324834","9.4064","0.0005","10.2603","0.0005","12.5756","0.0009","81.515","0.001","85.231","0.001","85.604","0.001","1193.71","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Cl10 N6 Ru2 -","- C44 H28 Cl10 N6 Ru2 -","- C44 H28 Cl10 N6 Ru2 -","1","0.5","","Subhas Samanta; Sreebrata Goswami","Tuning of the o-Carom-N Bond-Formation Reactivity of Aniline Using Ruthenium(II) Templates","Inorganic Chemistry","2011","50","","3171","3173","10.1021/ic101868w","","","0.71073","MoKα","","0.0328","0.0317","","","0.0918","0.1119","","","","","","1.142","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324835","11.1996","0.0015","15.786","0.002","26.213","0.004","90","","90","","90","","4634.4","1.1","100","2","100","2","","","","","","","","7","P 2 2 2","P 2 2","16","","","","- C150 H244 Cl Mn N29 O36 Zn2 -","- C72 H62 Cl Mn N3 O10 Zn2 -","- C72 H62 Cl Mn N3 O10 Zn2 -","1","0.25","","Abraham M. Shultz; Omar K. Farha; Debashis Adhikari; Amy A. Sarjeant; Joseph T. Hupp; SonBinh T. Nguyen","Selective Surface and Near-Surface Modification of a Noncatenated, Catalytically Active Metal-Organic Framework Material Based on Mn(salen) Struts","Inorganic Chemistry","2011","50","","3174","3176","10.1021/ic101952y","","","1.54178","CuKα","","0.2611","0.1386","","","0.3131","0.374","","","","","","0.789","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324836","19.6123","0.0007","12.5957","0.0004","36.6432","0.0012","90","","90","","90","","9052","0.5","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H19 Ag3 F18 Fe2 N6 O6 -","- C37 H19 Ag3 F18 Fe2 N6 O6 -","- C296 H152 Ag24 F144 Fe16 N48 O48 -","8","2","","Victoria N. Tsupreva; Alexey A. Titov; Oleg A. Filippov; Alexey N. Bilyachenko; Alexander F. Smol'yakov; Fedor M. Dolgushin; Denis V. Agapkin; Ivan A. Godovikov; Lina M. Epstein; Elena S. Shubina","Peculiarities of the Complexation of Copper and Silver Adducts of a 3,5-Bis(trifluoromethyl)pyrazolate Ligand with Organoiron Compounds","Inorganic Chemistry","2011","50","","3325","3331","10.1021/ic102132v","","","0.71073","MoKα","","0.06","0.0438","","","0.0782","0.0831","","","","","","1.051","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324837","9.4381","0.0018","13.442","0.003","13.579","0.003","82.387","0.004","87.865","0.004","69.191","0.003","1596.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H13 Ag3 F18 Fe N6 -","- C25 H13 Ag3 F18 Fe N6 -","- C50 H26 Ag6 F36 Fe2 N12 -","2","1","","Victoria N. Tsupreva; Alexey A. Titov; Oleg A. Filippov; Alexey N. Bilyachenko; Alexander F. Smol'yakov; Fedor M. Dolgushin; Denis V. Agapkin; Ivan A. Godovikov; Lina M. Epstein; Elena S. Shubina","Peculiarities of the Complexation of Copper and Silver Adducts of a 3,5-Bis(trifluoromethyl)pyrazolate Ligand with Organoiron Compounds","Inorganic Chemistry","2011","50","","3325","3331","10.1021/ic102132v","","","0.71073","MoKα","","0.07","0.0486","","","0.0985","0.1052","","","","","","1.056","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324838","8.9763","0.0004","9.4659","0.0004","19.3435","0.0009","80.863","0.001","84.951","0.001","73.114","0.001","1551.25","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H13 Cu3 F18 Fe N6 -","- C25 H13 Cu3 F18 Fe N6 -","- C50 H26 Cu6 F36 Fe2 N12 -","2","1","","Victoria N. Tsupreva; Alexey A. Titov; Oleg A. Filippov; Alexey N. Bilyachenko; Alexander F. Smol'yakov; Fedor M. Dolgushin; Denis V. Agapkin; Ivan A. Godovikov; Lina M. Epstein; Elena S. Shubina","Peculiarities of the Complexation of Copper and Silver Adducts of a 3,5-Bis(trifluoromethyl)pyrazolate Ligand with Organoiron Compounds","Inorganic Chemistry","2011","50","","3325","3331","10.1021/ic102132v","","","0.71073","MoKα","","0.0593","0.0406","","","0.0812","0.0885","","","","","","1.004","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324839","9.236","0.005","9.236","0.005","2.9719","0.0017","90","","90","","90","","253.5","0.2","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- B2 Ir2.07 Ru2.93 Ti3 -","- B2 Ir2.08 Ru2.92 Ti3 -","- B4 Ir4.16 Ru5.84 Ti6 -","2","0.125","","Boniface P. T. Fokwa; Martin Hermus","Complete Titanium Substitution by Boron in a tetragonal Prism: Exploring the Complex Boride Series Ti3-xRu5-yIryB2+x (0 <=x<= 1 and 1 < y <3) by Experiment and Theory","Inorganic Chemistry","2011","50","","3332","3341","10.1021/ic102148x","","","0.71073","MoKα","","0.0942","0.0607","","","0.117","0.1284","","","","","","1.072","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324840","9.18","0.003","9.18","0.003","2.9443","0.0013","90","","90","","90","","248.12","0.16","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- B2.37 Ir1.62 Ru3.38 Ti2.63 -","- B2.37 Ir1.59 Ru3.41 Ti2.63 -","- B4.74 Ir3.18 Ru6.82 Ti5.26 -","2","0.125","","Boniface P. T. Fokwa; Martin Hermus","Complete Titanium Substitution by Boron in a tetragonal Prism: Exploring the Complex Boride Series Ti3-xRu5-yIryB2+x (0 <=x<= 1 and 1 < y <3) by Experiment and Theory","Inorganic Chemistry","2011","50","","3332","3341","10.1021/ic102148x","","","0.71073","MoKα","","0.0718","0.048","","","0.1059","0.1154","","","","","","1.071","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324841","9.149","0.004","9.149","0.004","2.9281","0.0016","90","","90","","90","","245.1","0.2","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- B2.73 Ir2.5 Ru2.5 Ti2.27 -","- B2.73 Ir2.498 Ru2.51 Ti2.27 -","- B5.46 Ir4.996 Ru5.02 Ti4.54 -","2","0.125","","Boniface P. T. Fokwa; Martin Hermus","Complete Titanium Substitution by Boron in a tetragonal Prism: Exploring the Complex Boride Series Ti3-xRu5-yIryB2+x (0 <=x<= 1 and 1 < y <3) by Experiment and Theory","Inorganic Chemistry","2011","50","","3332","3341","10.1021/ic102148x","","","0.71073","MoKα","","0.1162","0.0721","","","0.1451","0.1635","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324842","9.0299","0.0019","9.0299","0.0019","2.8553","0.0012","90","","90","","90","","232.82","0.12","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- B3 Ir2.25 Ru2.75 Ti2 -","- B3 Ir2.2736 Ru2.74 Ti2 -","- B6 Ir4.5472 Ru5.48 Ti4 -","2","0.125","","Boniface P. T. Fokwa; Martin Hermus","Complete Titanium Substitution by Boron in a tetragonal Prism: Exploring the Complex Boride Series Ti3-xRu5-yIryB2+x (0 <=x<= 1 and 1 < y <3) by Experiment and Theory","Inorganic Chemistry","2011","50","","3332","3341","10.1021/ic102148x","","","0.71073","MoKα","","0.0412","0.039","","","0.0885","0.0896","","","","","","1.052","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324843","11.6226","0.0011","22.014","0.002","16.9005","0.0015","90","","98.2769","0.0011","90","","4279.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 Cl10 Ga2 P5 -","- C22 H51 Cl10 Ga2 P5 -","- C88 H204 Cl40 Ga8 P20 -","4","1","","Yuen-ying Carpenter; Neil Burford; Michael, D. Lumsden; Robert McDonald","31P NMR Studies Demonstrating the Assembly ofcatena-Phosphorus Frameworks from Chlorophosphinochlorophosphonium Cations","Inorganic Chemistry","2011","50","","3342","3353","10.1021/ic102150s","","","0.71073","MoKα","","0.0482","0.0399","","","0.1066","0.1136","","","","","","1.025","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324844","30.483","0.002","15.1691","0.0011","27.432","0.002","90","","112.72","0.014","90","","11700.3","1.9","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H70 Cl2 F2 Ir N5 O4 -","- C59 H70 Cl2 F2 Ir N5 O4 -","- C472 H560 Cl16 F16 Ir8 N40 O32 -","8","1","","Yonghao Zheng; Andrei S. Batsanov; Martin R. Bryce","Unusual Dinuclear and Mononuclear Cyclometalated Iridium Complexes of 2,5-Diaryl-1,3,4-oxadiazole Derivatives","Inorganic Chemistry","2011","50","","3354","3362","10.1021/ic102153x","","","0.71073","MoKα","","0.0835","0.05","","","0.1171","0.1326","","","","","","1.196","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324845","12.1234","0.0005","14.3842","0.0005","20.2257","0.0009","90","","106.922","0.008","90","","3374.4","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H68 Cl2 F4 Ir2 N8 O6 S2 -","- C72 H68 Cl2 F4 Ir2 N8 O6 S2 -","- C144 H136 Cl4 F8 Ir4 N16 O12 S4 -","2","0.5","","Yonghao Zheng; Andrei S. Batsanov; Martin R. Bryce","Unusual Dinuclear and Mononuclear Cyclometalated Iridium Complexes of 2,5-Diaryl-1,3,4-oxadiazole Derivatives","Inorganic Chemistry","2011","50","","3354","3362","10.1021/ic102153x","","","0.71073","MOKα","","0.061","0.0327","","","0.0753","0.0855","","","","","","0.908","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324846","14.235","0.0005","15.2472","0.0005","21.7641","0.0008","90","","100.029","0.005","90","","4651.6","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H108 Cl6 F4 Ir2 N8 O4 -","- C94 H108 Cl6 F4 Ir2 N8 O4 -","- C188 H216 Cl12 F8 Ir4 N16 O8 -","2","0.5","","Yonghao Zheng; Andrei S. Batsanov; Martin R. Bryce","Unusual Dinuclear and Mononuclear Cyclometalated Iridium Complexes of 2,5-Diaryl-1,3,4-oxadiazole Derivatives","Inorganic Chemistry","2011","50","","3354","3362","10.1021/ic102153x","","","0.71073","MOKα","","0.0404","0.0296","","","0.0658","0.0713","","","","","","1.049","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324847","13.55","0.0013","14.545","0.0014","23.775","0.002","86.78","0.007","82.395","0.007","70.489","0.006","4377.4","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H116 Cl2 Ir2 N8 O8 -","- C96 H116 Cl2 Ir2 N8 O8 -","- C192 H232 Cl4 Ir4 N16 O16 -","2","1","","Yonghao Zheng; Andrei S. Batsanov; Martin R. Bryce","Unusual Dinuclear and Mononuclear Cyclometalated Iridium Complexes of 2,5-Diaryl-1,3,4-oxadiazole Derivatives","Inorganic Chemistry","2011","50","","3354","3362","10.1021/ic102153x","","","0.71073","MoKα","","0.0637","0.0428","","","0.0959","0.1051","","","","","","1.081","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324848","11.4361","0.0004","14.8212","0.0005","23.5183","0.0008","97.025","0.008","95.16","0.008","108.059","0.008","3726.8","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H99 Cl3 F3 Ir N6 O3 -","- C79 H99 Cl3 F3 Ir N6 O3 -","- C158 H198 Cl6 F6 Ir2 N12 O6 -","2","1","","Yonghao Zheng; Andrei S. Batsanov; Martin R. Bryce","Unusual Dinuclear and Mononuclear Cyclometalated Iridium Complexes of 2,5-Diaryl-1,3,4-oxadiazole Derivatives","Inorganic Chemistry","2011","50","","3354","3362","10.1021/ic102153x","","","0.71073","MOKα","","0.0591","0.0458","","","0.1217","0.1291","","","","","","1.026","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324849","21.6433","0.0013","25.9737","0.0015","17.6713","0.0011","90","","110.653","0.006","90","","9295.6","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 F2 Ir N4 O4 -","- C51 H59 F2 Ir N4 O4 -","- C408 H472 F16 Ir8 N32 O32 -","8","2","","Yonghao Zheng; Andrei S. Batsanov; Martin R. Bryce","Unusual Dinuclear and Mononuclear Cyclometalated Iridium Complexes of 2,5-Diaryl-1,3,4-oxadiazole Derivatives","Inorganic Chemistry","2011","50","","3354","3362","10.1021/ic102153x","","","0.71073","MoKα","","0.0625","0.0396","","","0.0792","0.0874","","","","","","1.043","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324850","12.3848","0.0007","30.7971","0.0018","18.5819","0.0011","90","","90","","90","","7087.4","0.7","200","2","200","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C64 H98 O4 P2 Ti -","- C64 H98 O4 P2 Ti -","- C256 H392 O16 P8 Ti4 -","4","0.5","","Lan-Chang Liang; Yu-Lin Hsu; Sheng-Ta Lin","Group 4 Complexes of a tert-Butylphosphine-Bridged Biphenolate Ligand","Inorganic Chemistry","2011","50","","3363","3372","10.1021/ic102194z","","","0.71073","MoKα","","0.1363","0.079","","","0.2176","0.2405","","","","","","1.062","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324851","12.2838","0.001","15.6816","0.0012","42.327","0.003","90","","96.203","0.001","90","","8105.7","1.1","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H82 B2 F12 N6 O2 P2 Ru -","- C82 H82 B2 F12 N6 O2 P2 Ru -","- C328 H328 B8 F48 N24 O8 P8 Ru4 -","4","1","","Yi Sun; Zachary M. Hudson; Yingli Rao; Suning Wang","Tuning and Switching MLCT Phosphorescence of [Ru(bpy)3]2+ Complexes with Triarylboranes and Anions","Inorganic Chemistry","2011","50","","3373","3378","10.1021/ic1021966","","","0.71073","MoKα","","0.1274","0.0719","","","0.1602","0.1827","","","","","","1.016","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324852","15.6063","0.0005","17.0972","0.0005","21.3255","0.0007","111.458","0.002","92.169","0.002","105.539","0.002","5043.3","0.3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C94 H106 B2 F12 N6 O0 P2 Ru -","- C94 H106 B2 F12 N6 P2 Ru -","- C188 H212 B4 F24 N12 P4 Ru2 -","2","1","","Yi Sun; Zachary M. Hudson; Yingli Rao; Suning Wang","Tuning and Switching MLCT Phosphorescence of [Ru(bpy)3]2+ Complexes with Triarylboranes and Anions","Inorganic Chemistry","2011","50","","3373","3378","10.1021/ic1021966","","","0.71073","MoKα","","0.1921","0.091","","","0.2063","0.2459","","","","","","0.927","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324853","10.347","0.019","18.283","0.017","10.754","0.009","90","","95.91","0.09","90","","2024","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl2 Mn2 N8 O16 -","- C34 H46 Cl2 Mn2 N8 O16 -","- C68 H92 Cl4 Mn4 N16 O32 -","2","0.5","","Gustav Berggren; Anders Thapper; Ping Huang; Lars Eriksson; Stenbjörn Styring; Magnus F. Anderlund","Mechanistic Studies on the Water-Oxidizing Reaction of Homogeneous Manganese-Based Catalysts: Isolation and Characterization of a Suggested Catalytic Intermediate","Inorganic Chemistry","2011","50","","3425","3430","10.1021/ic102336a","","","0.9083","synchrotron","","0.0644","0.0612","","","0.1624","0.1665","","","","","","1.076","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324854","14.8938","0.0019","11.0824","0.0008","17.612","0.002","90","","114.77","0.015","90","","2639.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.52 H51.78 Cl2 Mn2 N11.26 O14 -","- C40.52 H51.78 Cl2 Mn2 N11.26 O14 -","- C81.04 H103.56 Cl4 Mn4 N22.52 O28 -","2","0.5","","Gustav Berggren; Anders Thapper; Ping Huang; Lars Eriksson; Stenbjörn Styring; Magnus F. Anderlund","Mechanistic Studies on the Water-Oxidizing Reaction of Homogeneous Manganese-Based Catalysts: Isolation and Characterization of a Suggested Catalytic Intermediate","Inorganic Chemistry","2011","50","","3425","3430","10.1021/ic102336a","","","0.71073","MoKα","","0.129","0.0691","","","0.1532","0.1717","","","","","","0.946","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324855","11.252","0.003","13.518","0.003","16.918","0.004","82.476","0.004","79.651","0.004","86.882","0.004","2508.4","1.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","eisjfm20","","","- C61 H61 Cu N4 O2 P2 -","- C61 H61 Cu N4 O2 P2 -","- C122 H122 Cu2 N8 O4 P4 -","2","1","","Gerald F. Manbeck; William W. Brennessel; Richard Eisenberg","Photoluminescent Copper(I) Complexes with Amido-Triazolato Ligands","Inorganic Chemistry","2011","50","","3431","3441","10.1021/ic102338g","","","0.71073","MoKα","","0.1274","0.0512","","","0.0812","0.1008","","","","","","0.97","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324856","13.006","0.004","16.949","0.006","19.756","0.008","87.334","0.008","70.893","0.006","82.13","0.006","4076","3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","eisjfm48","","","- C51 H40 Cl Cu N4 O0.25 P2 -","- C51 H40 Cl Cu N4 O0.25 P2 -","- C204 H160 Cl4 Cu4 N16 O P8 -","4","2","","Gerald F. Manbeck; William W. Brennessel; Richard Eisenberg","Photoluminescent Copper(I) Complexes with Amido-Triazolato Ligands","Inorganic Chemistry","2011","50","","3431","3441","10.1021/ic102338g","","","0.71073","MoKα","","0.2435","0.0856","","","0.1162","0.1612","","","","","","0.93","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324857","10.7576","0.0009","11.0452","0.0009","20.4398","0.0016","80.04","0.002","79.368","0.002","60.986","0.001","2077.5","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","eisjfm25","","","- C52 H43 Cu N4 P2 -","- C52 H43 Cu N4 P2 -","- C104 H86 Cu2 N8 P4 -","2","1","","Gerald F. Manbeck; William W. Brennessel; Richard Eisenberg","Photoluminescent Copper(I) Complexes with Amido-Triazolato Ligands","Inorganic Chemistry","2011","50","","3431","3441","10.1021/ic102338g","","","0.71073","MoKα","","0.0661","0.0423","","","0.1027","0.114","","","","","","1.021","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324858","8.8824","0.0009","13.8829","0.0014","14.8235","0.0015","90","","100.077","0.002","90","","1799.7","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","eisjfm26","","","- C22 H20 N4 -","- C22 H20 N4 -","- C88 H80 N16 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Richard Eisenberg","Photoluminescent Copper(I) Complexes with Amido-Triazolato Ligands","Inorganic Chemistry","2011","50","","3431","3441","10.1021/ic102338g","","","0.71073","MoKα","","0.0709","0.0514","","","0.135","0.1489","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324859","21.073","0.004","13.061","0.003","11.123","0.002","90","","90","","90","","3061.4","1.1","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C18 H12 Cu N2 O5 -","- C18 H12 Cu N2 O5 -","- C72 H48 Cu4 N8 O20 -","4","0.5","","Zhenxia Chen; Shengchang Xiang; Hadi D. Arman; Jalal U. Mondal; Peng Li; Dongyuan Zhao; Banglin Chen","Three-Dimensional Pillar-Layered Copper(II) Metal-Organic Framework with Immobilized Functional OH Groups on Pore Surfaces for Highly Selective CO2/CH4 and C2H2/CH4 Gas Sorption at Room Temperature","Inorganic Chemistry","2011","50","","3442","3446","10.1021/ic102347b","","","1.54178","CuKα","","0.0995","0.0932","","","0.2691","0.282","","","","","","1.172","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324860","23.2804","0.0009","29.738","0.0011","11.1936","0.0004","90","","90","","90","","7749.5","0.5","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C74 H84 B2 Cl8 N2 Pt -","- C74 H78 B2 Cl8 N2 Pt -","- C296 H312 B8 Cl32 N8 Pt4 -","4","0.5","","Zachary M. Hudson; Christina Sun; Kristopher J. Harris; Bryan E. G. Lucier; Robert W. Schurko; Suning Wang","Probing the Structural Origins of Vapochromism of a Triarylboron-Functionalized Platinum(II) Acetylide by Optical and Multinuclear Solid-State NMR Spectroscopy","Inorganic Chemistry","2011","50","","3447","3457","10.1021/ic102349h","","","0.71073","MoKα","","0.0557","0.0451","","","0.1205","0.1253","","","","","","1.092","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324861","24.4132","0.0003","14.6769","0.0002","25.1137","0.0004","90","","109.719","0.001","90","","8470.8","0.2","179","2","179","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C93 H94 B2 P2 Pt -","- C93 H93 B2 P2 Pt -","- C372 H372 B8 P8 Pt4 -","4","1","","Zachary M. Hudson; Christina Sun; Kristopher J. Harris; Bryan E. G. Lucier; Robert W. Schurko; Suning Wang","Probing the Structural Origins of Vapochromism of a Triarylboron-Functionalized Platinum(II) Acetylide by Optical and Multinuclear Solid-State NMR Spectroscopy","Inorganic Chemistry","2011","50","","3447","3457","10.1021/ic102349h","","","0.71073","MoKα","","0.0998","0.0534","","","0.1268","0.1495","","","","","","0.996","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324862","16.8733","0.0018","11.4891","0.0013","22.71","0.003","90","","93.959","0.003","90","","4392","0.9","100","0.5","100","0.5","","","","","","","","7","P 1 c 1","P -2yc","7","[CrCyclam(C2MeEDT)2]OTf","","","- C33 H38 Cr F3 N4 O3 S13 -","- C33 H38 Cr F3 N4 O3 S13 -","- C132 H152 Cr4 F12 N16 O12 S52 -","4","2","","Junichi Nishijo; Ken Judai; Nobuyuki Nishi","Weak Ferromagnetism and Strong Spin-Spin Interaction Mediated by the Mixed-Valence Ethynyltetrathiafulvalene-Type Ligand","Inorganic Chemistry","2011","50","","3464","3470","10.1021/ic102384s","","","0.71073","MoKα","","0.1561","0.1471","","","0.3903","0.3965","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324863","32.921","0.004","11.8484","0.0011","16.14","0.0016","90","","103.151","0.003","90","","6130.5","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[CrCyclam(C2MeEDT)2][ClO4]2(PhCl)2(MeCN)","","","- C46 H51 Cl4 Cr N5 O8 S12 -","- C46 H51 Cl4 Cr N5 O8 S12 -","- C184 H204 Cl16 Cr4 N20 O32 S48 -","4","0.5","","Junichi Nishijo; Ken Judai; Nobuyuki Nishi","Weak Ferromagnetism and Strong Spin-Spin Interaction Mediated by the Mixed-Valence Ethynyltetrathiafulvalene-Type Ligand","Inorganic Chemistry","2011","50","","3464","3470","10.1021/ic102384s","","","0.71073","MoKα","","0.1124","0.0945","","","0.2883","0.3173","","","","","","1.142","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324864","32.828","0.003","11.8716","0.0011","16.1111","0.0016","90","","103.469","0.003","90","","6106.1","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[CrCyclam(C2MeEDT)2][BF4]2(PhCl)2(MeCN)","","","- C46 H51 B2 Cl2 Cr F8 N5 S12 -","- C46 H51 B2 Cl2 Cr F8 N5 S12 -","- C184 H204 B8 Cl8 Cr4 F32 N20 S48 -","4","0.5","","Junichi Nishijo; Ken Judai; Nobuyuki Nishi","Weak Ferromagnetism and Strong Spin-Spin Interaction Mediated by the Mixed-Valence Ethynyltetrathiafulvalene-Type Ligand","Inorganic Chemistry","2011","50","","3464","3470","10.1021/ic102384s","","","0.71073","MoKα","","0.1052","0.0901","","","0.2844","0.3082","","","","","","1.129","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324865","9.8705","0.0005","12.5788","0.0005","13.3436","0.0006","75.682","0.002","73.222","0.002","74.038","0.002","1499.46","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H56 Cl8 N2 O2 P4 Pd -","- C60 H56 Cl8 N2 O2 P4 Pd -","- C60 H56 Cl8 N2 O2 P4 Pd -","1","0.5","","Shuanming Zhang; Roberto Pattacini; Pierre Braunstein","Unexpected Metal-Induced Isomerisms and Phosphoryl Migrations in Pt(II) and Pd(II) Complexes of the Functional Phosphine 2-(Bis(diphenylphosphino)methyl)-oxazoline","Inorganic Chemistry","2011","50","","3511","3522","10.1021/ic1024422","","x-ray","0.71073","MoKα","","0.0712","0.0474","","","0.1014","0.1107","","","","","","1.033","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324866","25.1972","0.0004","24.7389","0.0005","18.8381","0.0004","90","","107.414","0.001","90","","11204.5","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 Au2 Cl5 N2 O2 P4 Pd -","- C57 H49 Au2 Cl5 N2 O2 P4 Pd -","- C456 H392 Au16 Cl40 N16 O16 P32 Pd8 -","8","2","","Shuanming Zhang; Roberto Pattacini; Pierre Braunstein","Unexpected Metal-Induced Isomerisms and Phosphoryl Migrations in Pt(II) and Pd(II) Complexes of the Functional Phosphine 2-(Bis(diphenylphosphino)methyl)-oxazoline","Inorganic Chemistry","2011","50","","3511","3522","10.1021/ic1024422","","x-ray","0.71073","MoKα","","0.1137","0.0464","","","0.0944","0.1147","","","","","","1.006","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324867","17.0905","0.0005","18.0349","0.0008","24.3921","0.001","107.918","0.002","107.738","0.002","90.299","0.003","6772.8","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58.5 H55 Cl7 N2 O2 P4 Pt -","- C58.5 H55 Cl7 N2 O2 P4 Pt -","- C234 H220 Cl28 N8 O8 P16 Pt4 -","4","2","","Shuanming Zhang; Roberto Pattacini; Pierre Braunstein","Unexpected Metal-Induced Isomerisms and Phosphoryl Migrations in Pt(II) and Pd(II) Complexes of the Functional Phosphine 2-(Bis(diphenylphosphino)methyl)-oxazoline","Inorganic Chemistry","2011","50","","3511","3522","10.1021/ic1024422","","x-ray","0.71073","MoKα","","0.1238","0.0656","","","0.1677","0.1859","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324868","18.8057","0.0005","12.9167","0.0002","26.358","0.0006","90","","128.311","0.002","90","","5023.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H50 Cl2 N2 O2 P4 Pt -","- C57 H50 Cl2 N2 O2 P4 Pt -","- C228 H200 Cl8 N8 O8 P16 Pt4 -","4","1","","Shuanming Zhang; Roberto Pattacini; Pierre Braunstein","Unexpected Metal-Induced Isomerisms and Phosphoryl Migrations in Pt(II) and Pd(II) Complexes of the Functional Phosphine 2-(Bis(diphenylphosphino)methyl)-oxazoline","Inorganic Chemistry","2011","50","","3511","3522","10.1021/ic1024422","","x-ray","0.71073","MoKα","","0.0853","0.0417","","","0.0921","0.1324","","","","","","0.989","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324869","17.9727","0.0005","18.8894","0.0005","23.4086","0.0007","73.354","0.002","75.827","0.002","68.683","0.001","7004.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 B2 F8 Mo2 N12 O5 -","- C32 H44 B2 F8 Mo2 N12 O5 -","- C192 H264 B12 F48 Mo12 N72 O30 -","6","3","","Patrícia Neves; Sandra Gago; Salete S. Balula; André D. Lopes; Anabela A. Valente; Luís Cunha-Silva; Filipe A. Almeida Paz; Martyn Pillinger; João Rocha; Carlos M. Silva; Isabel S. Gonçalves","Synthesis and Catalytic Properties of Molybdenum(VI) Complexes with Tris(3,5-dimethyl-1-pyrazolyl)methane","Inorganic Chemistry","2011","50","","3490","3500","10.1021/ic102456z","","","0.71073","MoKα","","0.1122","0.0836","","","0.2531","0.2712","","","","","","1.114","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324870","12.7169","0.0006","15.6739","0.0008","13.9182","0.0007","90","","115.405","0.002","90","","2505.9","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Mo2 N6 O12 -","- C16 H30 Mo2 N6 O12 -","- C64 H120 Mo8 N24 O48 -","4","1","","Patrícia Neves; Sandra Gago; Salete S. Balula; André D. Lopes; Anabela A. Valente; Luís Cunha-Silva; Filipe A. Almeida Paz; Martyn Pillinger; João Rocha; Carlos M. Silva; Isabel S. Gonçalves","Synthesis and Catalytic Properties of Molybdenum(VI) Complexes with Tris(3,5-dimethyl-1-pyrazolyl)methane","Inorganic Chemistry","2011","50","","3490","3500","10.1021/ic102456z","","","0.71073","MoKα","","0.0408","0.0247","","","0.0508","0.0572","","","","","","1.047","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324871","6.22","0.0001","16.2648","0.0003","10.576","0.0003","90","","116.857","0.002","90","","954.54","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cu N4 O4 -","- C20 H22 Cu N4 O4 -","- C40 H44 Cu2 N8 O8 -","2","0.5","","Dariusz Matoga; Janusz Szklarzewicz; Ryszard Gryboś; Katarzyna Kurpiewska; Wojciech Nitek","Spacer-Dependent Structural and Physicochemical Diversity in Copper(II) Complexes with Salicyloyl Hydrazones: A Monomer and Soluble Polymers","Inorganic Chemistry","2011","50","","3501","3510","10.1021/ic1024586","","","0.71073","MoKα","","0.0297","0.0248","","","0.0701","0.0715","","","","","","1.086","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324872","6.1507","0.0002","11.0663","0.0004","15.5218","0.0005","90","","96.195","0.003","90","","1050.33","0.06","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu N4 O4 -","- C22 H26 Cu N4 O4 -","- C44 H52 Cu2 N8 O8 -","2","0.5","","Dariusz Matoga; Janusz Szklarzewicz; Ryszard Gryboś; Katarzyna Kurpiewska; Wojciech Nitek","Spacer-Dependent Structural and Physicochemical Diversity in Copper(II) Complexes with Salicyloyl Hydrazones: A Monomer and Soluble Polymers","Inorganic Chemistry","2011","50","","3501","3510","10.1021/ic1024586","","","0.71073","MoKα","","0.05","0.0374","","","0.1066","0.1103","","","","","","1.058","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324873","8.122","0.0004","9.394","0.0004","11.966","0.0005","95.922","0.003","102.409","0.003","114.53","0.002","791.93","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Cu N4 O4 -","- C32 H46 Cu N4 O4 -","- C32 H46 Cu N4 O4 -","1","0.5","","Dariusz Matoga; Janusz Szklarzewicz; Ryszard Gryboś; Katarzyna Kurpiewska; Wojciech Nitek","Spacer-Dependent Structural and Physicochemical Diversity in Copper(II) Complexes with Salicyloyl Hydrazones: A Monomer and Soluble Polymers","Inorganic Chemistry","2011","50","","3501","3510","10.1021/ic1024586","","x-ray","0.71073","MoKα","","0.0607","0.055","","","0.1557","0.1618","","","","6.637","6.637","1.051","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324874","13.6181","0.0008","19.2851","0.0011","21.612","0.0012","90","","97.6482","0.0009","90","","5625.4","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 O5 Os P4 Rh -","- C62 H61 O5 Os P4 Rh -","- C248 H244 O20 Os4 P16 Rh4 -","4","1","","Kyle D. Wells; Robert McDonald; Michael J. Ferguson; Martin Cowie","Unusual Ligand Transformations Initiated by dppm Deprotonation in Methylene-Bridged Rh/Os Complexes","Inorganic Chemistry","2011","50","","3523","3538","10.1021/ic102470j","","","0.71073","MoKα","","0.0366","0.0286","","","0.0707","0.0743","","","","","","1.045","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324875","15.276","0.002","18.85","0.003","18.317","0.002","90","","93.89","0.002","90","","5262.3","1.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H57 O3 Os P4 Rh -","- C59 H57 O3 Os P4 Rh -","- C236 H228 O12 Os4 P16 Rh4 -","4","1","","Kyle D. Wells; Robert McDonald; Michael J. Ferguson; Martin Cowie","Unusual Ligand Transformations Initiated by dppm Deprotonation in Methylene-Bridged Rh/Os Complexes","Inorganic Chemistry","2011","50","","3523","3538","10.1021/ic102470j","","","0.71073","MoKα","","0.0396","0.0332","","","0.0881","0.0969","","","","","","1.084","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324876","18.7282","0.0008","23.2474","0.0009","14.2788","0.0006","90","","90","","90","","6216.7","0.4","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C73 H63 O4 Os P4 Rh -","- C73 H63 O4 Os P4 Rh -","- C292 H252 O16 Os4 P16 Rh4 -","4","0.5","","Kyle D. Wells; Robert McDonald; Michael J. Ferguson; Martin Cowie","Unusual Ligand Transformations Initiated by dppm Deprotonation in Methylene-Bridged Rh/Os Complexes","Inorganic Chemistry","2011","50","","3523","3538","10.1021/ic102470j","","","0.71073","MoKα","","0.0383","0.0277","","","0.0654","0.072","","","","","","1.058","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324877","16.646","0.0006","15.387","0.0006","19.7962","0.0007","90","","90.3815","0.0004","90","","5070.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H47 Cl2 O4 Os P4 Rh -","- C56 H47 Cl2 O4 Os P4 Rh -","- C224 H188 Cl8 O16 Os4 P16 Rh4 -","4","1","","Kyle D. Wells; Robert McDonald; Michael J. Ferguson; Martin Cowie","Unusual Ligand Transformations Initiated by dppm Deprotonation in Methylene-Bridged Rh/Os Complexes","Inorganic Chemistry","2011","50","","3523","3538","10.1021/ic102470j","","","0.71073","MoKα","","0.0313","0.0307","","","0.0672","0.0674","","","","","","1.347","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324878","12.9836","0.0006","22.6964","0.0011","19.8898","0.001","90","","91.215","0.002","90","","5859.8","0.5","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H95 B2 F8 N O P4 Pt2 -","- C50 H95 B2 F8 N O P4 Pt2 -","- C200 H380 B8 F32 N4 O4 P16 Pt8 -","4","1","","Mario Latronico; Piero Mastrorilli; Vito Gallo; Maria Michela Dell'Anna; Francesco Creati; Nazzareno Re; Ulli Englert","Hydrido Phosphanido Bridged Polynuclear Complexes Obtained by Protonation of a Phosphinito Bridged Pt(I) Complex with HBF4 and HF","Inorganic Chemistry","2011","50","","3539","3558","10.1021/ic102475e","","","0.71073","MoKα","","0.0828","0.0529","","","0.0818","0.089","","","","","","1.019","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324879","14.108","0.004","26.736","0.007","18.009","0.004","90","","121.086","0.017","90","","5817","3","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C100 H190 B2 Cl8 F8 O2 P8 Pt4 -","- C100 H190 B2 Cl8 F8 O2 P8 Pt4 -","- C200 H380 B4 Cl16 F16 O4 P16 Pt8 -","2","0.5","","Mario Latronico; Piero Mastrorilli; Vito Gallo; Maria Michela Dell'Anna; Francesco Creati; Nazzareno Re; Ulli Englert","Hydrido Phosphanido Bridged Polynuclear Complexes Obtained by Protonation of a Phosphinito Bridged Pt(I) Complex with HBF4 and HF","Inorganic Chemistry","2011","50","","3539","3558","10.1021/ic102475e","","","0.71073","MoKα","","0.0688","0.0452","","","0.092","0.0998","","","","","","1.008","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324880","10.148","0.0004","15.606","0.0006","17.101","0.0007","90","","94.186","0.002","90","","2701.06","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound X","","","- C24 H46 N3 Na O -","- C24 H46 N3 Na O -","- C96 H184 N12 Na4 O4 -","4","1","","Beatriz Calvo; Matthew G. Davidson; Daniel García-Vivó","Polyamine-Stabilized Sodium Aryloxides: Simple Initiators for the Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2011","50","","3589","3595","10.1021/ic102542q","","","0.71073","MoKα","","0.1344","0.062","","","0.1434","0.1938","","","","","","1.058","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324881","10.161","0.0004","12.523","0.0004","18.214","0.0006","75.212","0.002","82.06","0.002","84.557","0.002","2215.11","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H78 N4 Na2 O2 -","- C42 H78 N4 Na2 O2 -","- C84 H156 N8 Na4 O4 -","2","1","","Beatriz Calvo; Matthew G. Davidson; Daniel García-Vivó","Polyamine-Stabilized Sodium Aryloxides: Simple Initiators for the Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2011","50","","3589","3595","10.1021/ic102542q","","","0.71073","MoKα","","0.1307","0.0684","","","0.1649","0.2094","","","","","","1.009","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324882","11.447","0.0002","13.609","0.0003","15.049","0.0003","94.088","0.001","106.349","0.001","114.669","0.001","1995.78","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Compound X","","","- C36 H68 N6 Na2 O2 -","- C36 H68 N6 Na2 O2 -","- C72 H136 N12 Na4 O4 -","2","1","","Beatriz Calvo; Matthew G. Davidson; Daniel García-Vivó","Polyamine-Stabilized Sodium Aryloxides: Simple Initiators for the Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2011","50","","3589","3595","10.1021/ic102542q","","","0.71073","MoKα","","0.0919","0.0529","","","0.1268","0.151","","","","","","1.022","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324883","7.2435","0.0007","10.3636","0.001","13.3807","0.0016","90","","90.602","0.017","90","","1004.42","0.18","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H0.22 K0.78 O11 Si3 Zr -","- H0.21514 K0.78486 O11 Si3 Zr -","- H0.86056 K3.13944 O44 Si12 Zr4 -","4","1","","Christopher S. Fewox; Abraham Clearfield; Aaron J. Celestian","In Situ X-ray Diffraction Study of Cesium Exchange in Synthetic Umbite","Inorganic Chemistry","2011","50","","3596","3604","10.1021/ic102546w","powder diffraction","x-ray","0.922","Kα~1~","","","","","","","","0.08733","","1.89","","","","","","","has coordinates,has Fobs","179351","2020-10-21","18:00:00",""
"4324884","7.28142","0.00033","10.4201","0.0004","13.4529","0.0007","90","","90.526","0.008","90","","1020.67","0.08","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K0.84 O11.16 Si3 Zr -","- K0.84 O11.16 Si3 Zr -","- K3.36 O44.64 Si12 Zr4 -","4","1","","Christopher S. Fewox; Abraham Clearfield; Aaron J. Celestian","In Situ X-ray Diffraction Study of Cesium Exchange in Synthetic Umbite","Inorganic Chemistry","2011","50","","3596","3604","10.1021/ic102546w","powder diffraction","x-ray","0.9221","Kα~1~","","","","","","","","0.07636","","1.37","","","","","","","has coordinates,has Fobs","179351","2020-10-21","18:00:00",""
"4324885","10.6668","0.0008","13.5821","0.0011","7.3946","0.0006","90","","90","","90","","1071.31","0.15","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Cs1.37 K0.45 O9.98 Si3 Zr -","- Cs1.37236 K0.45068 O9.98085 Si3 Zr -","- Cs5.48944 K1.80272 O39.9234 Si12 Zr4 -","4","1","","Christopher S. Fewox; Abraham Clearfield; Aaron J. Celestian","In Situ X-ray Diffraction Study of Cesium Exchange in Synthetic Umbite","Inorganic Chemistry","2011","50","","3596","3604","10.1021/ic102546w","powder diffraction","x-ray","0.9221","Kα~1~","","","","","","","","0.07031","","1.3","","","","","","","has coordinates,has Fobs","179351","2020-10-21","18:00:00",""
"4324886","9.9271","0.0016","10.6663","0.0018","11.4566","0.0019","106.62","0.003","108.265","0.003","90.265","0.003","1097.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cu2 N15 O -","- C15 H19 Cu2 N15 O -","- C30 H38 Cu4 N30 O2 -","2","1","","Sandip Mukherjee; Bappaditya Gole; You Song; Partha Sarathi Mukherjee","Synthesis, Structures, and Magnetic Behavior of a Series of Copper(II) Azide Polymers of Cu4 Building Clusters and Isolation of a New Hemiaminal Ether as the Metal Complex","Inorganic Chemistry","2011","50","","3621","3631","10.1021/ic102580a","","","0.71073","MoKα","","0.1019","0.0599","","","0.1332","0.1536","","","","","","1.028","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324887","8.7634","0.0014","17.151","0.003","12.1511","0.0019","90","","90.496","0.011","90","","1826.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 Cu2 N15 -","- C10 H15 Cu2 N15 -","- C40 H60 Cu8 N60 -","4","1","","Sandip Mukherjee; Bappaditya Gole; You Song; Partha Sarathi Mukherjee","Synthesis, Structures, and Magnetic Behavior of a Series of Copper(II) Azide Polymers of Cu4 Building Clusters and Isolation of a New Hemiaminal Ether as the Metal Complex","Inorganic Chemistry","2011","50","","3621","3631","10.1021/ic102580a","","","0.71073","MoKα","","0.1558","0.0678","","","0.1258","0.161","","","","","","1.015","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324888","11.0755","0.001","11.1386","0.0008","16.5852","0.0014","90","","103.199","0.004","90","","1992","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Cu2 N15 -","- C12 H19 Cu2 N15 -","- C48 H76 Cu8 N60 -","4","1","","Sandip Mukherjee; Bappaditya Gole; You Song; Partha Sarathi Mukherjee","Synthesis, Structures, and Magnetic Behavior of a Series of Copper(II) Azide Polymers of Cu4 Building Clusters and Isolation of a New Hemiaminal Ether as the Metal Complex","Inorganic Chemistry","2011","50","","3621","3631","10.1021/ic102580a","","","0.71073","MoKα","","0.1148","0.0477","","","0.0921","0.1099","","","","","","1.007","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324889","10.92","0.0003","11.1292","0.0003","20.3016","0.0005","91.627","0.001","90.081","0.001","115.39","0.001","2227.81","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H84 Cu9 N66 -","- C52 H84 Cu9 N66.24 -","- C52 H84 Cu9 N66.24 -","1","0.5","","Sandip Mukherjee; Bappaditya Gole; You Song; Partha Sarathi Mukherjee","Synthesis, Structures, and Magnetic Behavior of a Series of Copper(II) Azide Polymers of Cu4 Building Clusters and Isolation of a New Hemiaminal Ether as the Metal Complex","Inorganic Chemistry","2011","50","","3621","3631","10.1021/ic102580a","","","0.71073","MoKα","","0.1005","0.0444","","","0.0878","0.1031","","","","","","0.997","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324890","4.9048","0.0004","5.2422","0.0003","12.2131","0.0008","79.356","0.005","89.844","0.006","79.42","0.006","303.21","0.04","295","1","295","1","","","","","","","","5","P 1","P 1","1","trans copper(II) valinate","trans bis(valinato)copper(II)","","- C10 H20 Cu N2 O4 -","- C10 H20 Cu N2 O4 -","- C10 H20 Cu N2 O4 -","1","1","","Marijana Marković; Nenad Judaš; Jasmina Sabolović","Combined Experimental and Computational Study of cis-trans Isomerism in Bis(l-valinato)copper(II)","Inorganic Chemistry","2011","50","","3632","3644","10.1021/ic102585f","","","0.71073","MoKα","","0.0181","0.0181","","","0.0513","0.0513","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324891","21.348","0.005","9.5885","0.0019","7.4252","0.0016","90","","108.91","0.02","90","","1437.9","0.6","295","2","295","1","","","","","","","","5","C 1 2 1","C 2y","5","cis copper(II) valinate monohydrate","cis bis(valinato)copper(II) monohydrate","","- C10 H22 Cu N2 O5 -","- C9.997 H21.991 Cu N2 O5 -","- C39.988 H87.964 Cu4 N8 O20 -","4","1","","Marijana Marković; Nenad Judaš; Jasmina Sabolović","Combined Experimental and Computational Study of cis-trans Isomerism in Bis(l-valinato)copper(II)","Inorganic Chemistry","2011","50","","3632","3644","10.1021/ic102585f","","","0.71073","MoKα","","0.0326","0.0319","","","0.0789","0.0793","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4324892","10.5124","0.0002","13.2493","0.0004","15.7584","0.0004","89.34","0.002","70.9","0.002","77.471","0.002","2020.43","0.09","105","2","105","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H29 Cl3 F4 Ir N2 O2 P -","- C45 H29 Cl3 F4 Ir N2 O2 P -","- C90 H58 Cl6 F8 Ir2 N4 O4 P2 -","2","1","","Tsun-Ren Chen; Hsiu-Pen Lee; Jhy-Der Chen","Water Attack Umpolung Aromatic Systems To Release Hydrogen","Inorganic Chemistry","2011","50","","3645","3650","10.1021/ic1025944","","x-ray","0.71073","MoKα","","0.0925","0.0747","","","0.1576","0.1639","","","","","","1.147","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324893","11.571","0.004","23.498","0.009","14.022","0.005","90","","107.722","0.007","90","","3632","2","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 Cl Ir N2 O2 P -","- C44 H31 Cl Ir N2 O2 P -","- C176 H124 Cl4 Ir4 N8 O8 P4 -","4","1","","Tsun-Ren Chen; Hsiu-Pen Lee; Jhy-Der Chen","Water Attack Umpolung Aromatic Systems To Release Hydrogen","Inorganic Chemistry","2011","50","","3645","3650","10.1021/ic1025944","","x-ray","0.71073","MoKα","","0.0566","0.0416","","","0.1166","0.1205","","","","","","1.186","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4324894","16.7294","0.001","16.9491","0.0009","18.1593","0.001","111.171","0.001","97.084","0.001","107.611","0.001","4417","0.4","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C105.8 H73.6 Cl5.6 Ir2 N4 O4 P2 -","- C105.8 H71.6 Cl5.6 Ir2 N4 O4 P2 -","- C211.6 H143.2 Cl11.2 Ir4 N8 O8 P4 -","2","1","","Tsun-Ren Chen; Hsiu-Pen Lee; Jhy-Der Chen","Water Attack Umpolung Aromatic Systems To Release Hydrogen","Inorganic Chemistry","2011","50","","3645","3650","10.1021/ic1025944","","x-ray","0.71073","MoKα","","0.0397","0.0304","","","0.0945","0.1013","","","","","","0.977","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4324895","11.2481","0.0003","21.2316","0.0006","16.3065","0.0004","90","","94.798","0.002","90","","3880.59","0.18","105","2","105","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H27 Cl F4 Ir N2 O2 P -","- C44 H27 Cl F4 Ir N2 O2 P -","- C176 H108 Cl4 F16 Ir4 N8 O8 P4 -","4","1","","Tsun-Ren Chen; Hsiu-Pen Lee; Jhy-Der Chen","Water Attack Umpolung Aromatic Systems To Release Hydrogen","Inorganic Chemistry","2011","50","","3645","3650","10.1021/ic1025944","","x-ray","0.71073","MoKα","","0.0367","0.0262","","","0.0598","0.0614","","","","","","0.973","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324896","10.698","0.0008","12.2593","0.0009","31.093","0.002","90","","90.192","0.001","90","","4077.8","0.5","297","2","297","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H27 Cl F4 Ir N2 O5 P -","- C44 H27 Cl F4 Ir N2 O5 P -","- C176 H108 Cl4 F16 Ir4 N8 O20 P4 -","4","1","","Tsun-Ren Chen; Hsiu-Pen Lee; Jhy-Der Chen","Water Attack Umpolung Aromatic Systems To Release Hydrogen","Inorganic Chemistry","2011","50","","3645","3650","10.1021/ic1025944","","x-ray","0.71073","MoKα","","0.0458","0.041","","","0.1416","0.1449","","","","","","1.313","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4324897","13.7812","0.0016","11.62","0.0013","20.45","0.003","90","","118.777","0.008","90","","2870.4","0.7","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H136 Cl4 N12 Pd4 -","- C136 H136 Cl4 N12 Pd4 -","- C136 H136 Cl4 N12 Pd4 -","1","0.25","","Aaron M. Hollas; Weixing Gu; Nattamai Bhuvanesh; Oleg V. Ozerov","Synthesis and Characterization of Pd Complexes of a Carbazolyl/Bis(Imine) NNN Pincer Ligand","Inorganic Chemistry","2011","50","","3673","3679","10.1021/ic200026p","","","1.54178","CuKα","","0.0788","0.041","","","0.085","0.094","","","","","","0.766","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324898","14.007","0.003","15.161","0.003","17.538","0.004","92.27","0.03","110.32","0.03","104.89","0.03","3341","1.6","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 Cd3 Cl6 N10 O5 -","- C62 H80 Cd3 Cl6 N10 O5 -","- C124 H160 Cd6 Cl12 N20 O10 -","2","1","","Lin Xue; Guoping Li; Qing Liu; Huanhuan Wang; Chun Liu; Xunlei Ding; Shenggui He; Hua Jiang","Ratiometric Fluorescent Sensor Based on Inhibition of Resonance for Detection of Cadmium in Aqueous Solution and Living Cells","Inorganic Chemistry","2011","50","","3680","3690","10.1021/ic200032e","","","0.7107","MoKα","","0.0818","0.0557","","","0.1397","0.2257","","","","","","1.125","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324899","8.6084","0.0017","15.59","0.003","24.663","0.005","83.71","0.03","89.65","0.03","78.83","0.03","3227.3","1.2","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 N7 O10 Zn -","- C29 H39 N7 O10 Zn -","- C116 H156 N28 O40 Zn4 -","4","2","","Lin Xue; Guoping Li; Qing Liu; Huanhuan Wang; Chun Liu; Xunlei Ding; Shenggui He; Hua Jiang","Ratiometric Fluorescent Sensor Based on Inhibition of Resonance for Detection of Cadmium in Aqueous Solution and Living Cells","Inorganic Chemistry","2011","50","","3680","3690","10.1021/ic200032e","","","0.7107","MoKα","","0.0507","0.0394","","","0.0937","0.1004","","","","","","1.041","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324900","18.388","0.003","18.388","0.003","43.916","0.009","90","","90","","120","","12859","4","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24.99 H15.06 N0.33 O13.705 Zn4 -","- C24.99 H11.31 N0.33 O13.705 Zn4 -","- C299.88 H135.72 N3.96 O164.46 Zn48 -","12","0.666667","","Hyunuk Kim; Sunirban Das; Min Gyu Kim; Danil N. Dybtsev; Yonghwi Kim; Kimoon Kim","Synthesis of Phase-Pure Interpenetrated MOF-5 and Its Gas Sorption Properties","Inorganic Chemistry","2011","50","","3691","3696","10.1021/ic200054b","","","0.9","synchrotron","","0.0891","0.088","","","0.2691","0.2702","","","","","","1.112","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324901","14.7013","0.0017","17.9628","0.0016","16.839","0.0018","90","","110.551","0.003","90","","4163.8","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H63 N2 O4 Y -","- C44 H63 N2 O4 Y -","- C176 H252 N8 O16 Y4 -","4","1","","Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen","Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group","Inorganic Chemistry","2011","50","","3729","3737","10.1021/ic200091s","","","0.71075","MoKα","","0.0923","0.0681","","","0.1122","0.1211","","","","","","1.154","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324902","15.5829","0.0018","17.9753","0.0019","18.564","0.002","90","","103.94","0.003","90","","5046.8","1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H83 N2 O3 Y -","- C52 H83 N2 O3 Y -","- C208 H332 N8 O12 Y4 -","4","1","","Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen","Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group","Inorganic Chemistry","2011","50","","3729","3737","10.1021/ic200091s","","","0.71075","MoKα","","0.0997","0.0695","","","0.1462","0.1636","","","","","","1.104","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324903","15.5373","0.0012","17.9224","0.0013","18.563","0.0015","90","","103.976","0.002","90","","5016.1","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H83 N2 O3 Yb -","- C52 H83 N2 O3 Yb -","- C208 H332 N8 O12 Yb4 -","4","1","","Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen","Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group","Inorganic Chemistry","2011","50","","3729","3737","10.1021/ic200091s","","","0.71075","MoKα","","0.0484","0.0399","","","0.0748","0.0788","","","","","","1.108","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324904","14.2961","0.0004","14.8441","0.0005","15.7236","0.0006","79.534","0.005","75.579","0.005","71.112","0.004","3039","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H99 N2 O3 Y -","- C65 H99 N2 O3 Y -","- C130 H198 N4 O6 Y2 -","2","1","","Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen","Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group","Inorganic Chemistry","2011","50","","3729","3737","10.1021/ic200091s","","","0.71075","MoKα","","0.0844","0.0702","","","0.1513","0.1592","","","","","","1.072","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324905","9.8439","0.0007","11.2519","0.0009","24.409","0.002","83.406","0.007","80.859","0.005","76.62","0.006","2588.2","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H81 Cl N3 O3 Y -","- C54 H81 Cl N3 O3 Y -","- C108 H162 Cl2 N6 O6 Y2 -","2","1","","Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen","Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group","Inorganic Chemistry","2011","50","","3729","3737","10.1021/ic200091s","","","0.71075","MoKα","","0.0617","0.052","","","0.123","0.1283","","","","","","1.049","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324906","9.8319","0.0005","11.2382","0.0006","24.3593","0.0015","83.37","0.004","80.871","0.004","76.612","0.004","2576.5","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H81 Cl N3 O3 Yb -","- C54 H81 Cl N3 O3 Yb -","- C108 H162 Cl2 N6 O6 Yb2 -","2","1","","Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen","Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group","Inorganic Chemistry","2011","50","","3729","3737","10.1021/ic200091s","","","0.71075","MoKα","","0.0427","0.0377","","","0.0781","0.0807","","","","","","1.104","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324907","7.153","0.0014","8.2648","0.0017","8.3895","0.0017","90","","90","","90","","495.97","0.17","150","2","150","2","","","","","","","","3","C m c m","-C 2c 2","63","ZHAO1800","","","- B3 H12 N -","- B3 H12 N -","- B12 H48 N4 -","4","0.25","","Zhenguo Huang; Xuenian Chen; Teshome Yisgedu; Edward A. Meyers; Sheldon G. Shore; Ji-Cheng Zhao","Ammonium Octahydrotriborate (NH4B3H8): New Synthesis, Structure, and Hydrolytic Hydrogen Release","Inorganic Chemistry","2011","50","","3738","3742","10.1021/ic2000987","","","0.71073","MoKα","","0.0411","0.037","","","0.1117","0.1153","","","","","","1.132","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324908","16.407","0.003","11.215","0.002","13.841","0.003","90","","107.76","0.03","90","","2425.4","0.9","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","ZHAO1798","","","- C16 H44 B3 N O7 -","- C16 H44 B3 N O7 -","- C64 H176 B12 N4 O28 -","4","2","","Zhenguo Huang; Xuenian Chen; Teshome Yisgedu; Edward A. Meyers; Sheldon G. Shore; Ji-Cheng Zhao","Ammonium Octahydrotriborate (NH4B3H8): New Synthesis, Structure, and Hydrolytic Hydrogen Release","Inorganic Chemistry","2011","50","","3738","3742","10.1021/ic2000987","","","0.71073","MoKα","","0.0805","0.0476","","","0.0964","0.1095","","","","","","1.023","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324909","16.4336","","16.4336","","22.2284","","90","","90","","120","","5198.81","","293","","293","","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- Cu6.626 Ge Si -","- Cu6.66667 Ge Si -","- Cu320 Ge48 Si48 -","48","4","","Lukáš Palatinus; Mariana Klementová; Vladislav Dřínek; Markéta Jarošová; Václav Petříček","An Incommensurately Modulated Structure of η'-Phase of Cu3+xSi Determined by Quantitative Electron Diffraction Tomography","Inorganic Chemistry","2011","50","","3743","3751","10.1021/ic200102z","","","0.0335","electrons","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4324910","15.8238","0.0005","19.541","0.0006","21.2054","0.0006","90","","94.252","0.001","90","","6538.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H7 F42 N Sc3 -","- C97 H7 F42 N Sc3 -","- C388 H28 F168 N4 Sc12 -","4","1","","Shangfeng Yang; Chuanbao Chen; Mingzhi Jiao; Nadezhda B. Tamm; Maria A. Lanskikh; Erhard Kemnitz; Sergey I. Troyanov","Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 and Sc3N@Ih-C80(CF3)14","Inorganic Chemistry","2011","50","","3766","3771","10.1021/ic200174u","","","0.905","synchrotron","","0.0623","0.0577","","","0.1407","0.1434","","","","","","1.058","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324911","13.313","0.001","14.278","0.001","20.957","0.001","80.6","0.01","80.86","0.01","62.61","0.01","3473.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C101 H8 F42 N Sc3 -","- C101 H8 F42 N Sc3 -","- C202 H16 F84 N2 Sc6 -","2","1","","Shangfeng Yang; Chuanbao Chen; Mingzhi Jiao; Nadezhda B. Tamm; Maria A. Lanskikh; Erhard Kemnitz; Sergey I. Troyanov","Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 and Sc3N@Ih-C80(CF3)14","Inorganic Chemistry","2011","50","","3766","3771","10.1021/ic200174u","","","0.905","synchrotron","","0.063","0.0583","","","0.1345","0.1395","","","","","","1.071","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324912","13.5691","0.0006","15.4401","0.0006","18.5318","0.0009","73.4","0.008","71.428","0.008","72.044","0.009","3424.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102.5 H10.63 F42 N Sc3 -","- C102.5 F42 N Sc3 -","- C205 F84 N2 Sc6 -","2","1","","Shangfeng Yang; Chuanbao Chen; Mingzhi Jiao; Nadezhda B. Tamm; Maria A. Lanskikh; Erhard Kemnitz; Sergey I. Troyanov","Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 and Sc3N@Ih-C80(CF3)14","Inorganic Chemistry","2011","50","","3766","3771","10.1021/ic200174u","","","0.905","synchrotron","","0.1279","0.0881","","","0.2153","0.2323","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324913","13.0904","0.0004","26.1495","0.0007","19.884","0.0008","90","","96.226","0.001","90","","6766.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C101 H8 F42 N Sc3 -","- C101 H8 F42 N Sc3 -","- C404 H32 F168 N4 Sc12 -","4","1","","Shangfeng Yang; Chuanbao Chen; Mingzhi Jiao; Nadezhda B. Tamm; Maria A. Lanskikh; Erhard Kemnitz; Sergey I. Troyanov","Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 and Sc3N@Ih-C80(CF3)14","Inorganic Chemistry","2011","50","","3766","3771","10.1021/ic200174u","","","0.905","synchrotron","","0.0871","0.0681","","","0.1714","0.1833","","","","","","1.085","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324914","30.718","0.003","15.019","0.001","38.04","0.004","90","","92.84","0.01","90","","17528","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104.5 H10.63 F48 N Sc3 -","- C104.5 F48 N Sc3 -","- C836 F384 N8 Sc24 -","8","2","","Shangfeng Yang; Chuanbao Chen; Mingzhi Jiao; Nadezhda B. Tamm; Maria A. Lanskikh; Erhard Kemnitz; Sergey I. Troyanov","Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 and Sc3N@Ih-C80(CF3)14","Inorganic Chemistry","2011","50","","3766","3771","10.1021/ic200174u","","","0.905","synchrotron","","0.205","0.1791","","","0.3935","0.4029","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324915","13.562","0.001","14.634","0.001","21.672","0.001","86.53","0.01","72.12","0.01","76.2","0.01","3974.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C103.23 H5.97 F54 N Sc3 -","- C103.53 H6.32 F54 N Sc3 -","- C207.06 H12.64 F108 N2 Sc6 -","2","1","","Shangfeng Yang; Chuanbao Chen; Mingzhi Jiao; Nadezhda B. Tamm; Maria A. Lanskikh; Erhard Kemnitz; Sergey I. Troyanov","Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 and Sc3N@Ih-C80(CF3)14","Inorganic Chemistry","2011","50","","3766","3771","10.1021/ic200174u","","","0.905","","","0.2906","0.2116","","","0.4736","0.4944","","","","","","1.152","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324916","9.1268","0.0004","48.474","0.002","10.8772","0.0004","90","","96.307","0.002","90","","4783.1","0.3","100","0.2","100","0.2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H134 Cl4 N12 O33 Pb2 -","- C76 H134 Cl4 N12 O33 Pb2 -","- C152 H268 Cl8 N24 O66 Pb4 -","2","0.5","","Raquel Ferreirós-Martínez; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Showing Extremely High Sr(II)/Ca(II) and Pb(II)/Ca(II) Selectivities with Potential Application in Chelation Treatment of Metal Intoxication","Inorganic Chemistry","2011","50","","3772","3784","10.1021/ic200182e","","x-ray","0.71073","MoKα","","0.056","0.0382","","","0.0607","0.0645","","","","","","1.053","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324917","9.8857","0.0007","15.837","0.001","19.114","0.001","90","","97.081","0.002","90","","2969.7","0.3","100","0.2","100","0.2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N4 O11.5 Zn -","- C26 H41 N4 O11.5 Zn -","- C104 H164 N16 O46 Zn4 -","4","2","","Raquel Ferreirós-Martínez; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Showing Extremely High Sr(II)/Ca(II) and Pb(II)/Ca(II) Selectivities with Potential Application in Chelation Treatment of Metal Intoxication","Inorganic Chemistry","2011","50","","3772","3784","10.1021/ic200182e","","x-ray","0.71073","MoKα","","0.0382","0.0321","","","0.0759","0.079","","","","","","1.04","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324918","11.8366","0.0004","12.085","0.0004","14.9182","0.0005","100.066","0.002","108.711","0.002","94.059","0.002","1971.59","0.12","100","0.2","100","0.2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C64 H112 Cd2 Cl2 N8 O25 -","- C64 H112 Cd2 Cl2 N8 O25 -","- C64 H112 Cd2 Cl2 N8 O25 -","1","0.5","","Raquel Ferreirós-Martínez; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Showing Extremely High Sr(II)/Ca(II) and Pb(II)/Ca(II) Selectivities with Potential Application in Chelation Treatment of Metal Intoxication","Inorganic Chemistry","2011","50","","3772","3784","10.1021/ic200182e","","x-ray","0.71073","MoKα","","0.0798","0.0506","","","0.1201","0.135","","","","","","1.064","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324919","8.8797","0.0015","9.2294","0.0016","15.799","0.003","90","","104.813","0.003","90","","1251.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9-(2-thiocyanatoethyl)adenine_protonated","","","- C8 H9 Cl N6 O4 S -","- C8 H9 Cl N6 O4 S -","- C32 H36 Cl4 N24 O16 S4 -","4","1","","Rajneesh Kumar Prajapati; Sandeep Verma","Adenine Coordination around a Cu6I6 Core","Inorganic Chemistry","2011","50","","3180","3182","10.1021/ic200188a","","","0.71073","MoKα","","0.069","0.0577","","","0.154","0.1727","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324920","7.186","0.005","10.847","0.005","12.141","0.005","114.115","0.005","97.896","0.005","101.7","0.005","819.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","9-(2-thiocyanatoethyl)adenine_CuI","","","- C8 H8 Cu3 I3 N6 S -","- C8 H8 Cu3 I3 N6 S -","- C16 H16 Cu6 I6 N12 S2 -","2","1","","Rajneesh Kumar Prajapati; Sandeep Verma","Adenine Coordination around a Cu6I6 Core","Inorganic Chemistry","2011","50","","3180","3182","10.1021/ic200188a","","","0.71069","MoKα","","0.0547","0.0455","","","0.1242","0.1511","","","","","","1.133","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324921","13.621","0.005","11.98","0.003","16.18","0.006","90","","92.867","0.005","90","","2636.9","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","9-(2-thiocyanatoethyl)adenine_AgClO4","","","- C8 H8 Ag Cl N6 O4 S -","- C8 H8 Ag Cl N6 O4 S -","- C64 H64 Ag8 Cl8 N48 O32 S8 -","8","1","","Rajneesh Kumar Prajapati; Sandeep Verma","Adenine Coordination around a Cu6I6 Core","Inorganic Chemistry","2011","50","","3180","3182","10.1021/ic200188a","","","0.71069","MoKα","","0.0466","0.0389","","","0.0996","0.1221","","","","","","1.183","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324922","6.93699","0.00018","7.00094","0.00016","7.50868","0.00018","90","","90","","90","","364.662","0.015","10","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","RbCN3H4","","- C H4 N3 Rb -","- C H4 N3 Rb -","- C4 H16 N12 Rb4 -","4","0.5","","Veronika Hoepfner; Richard Dronskowski","RbCN3H4: The First Structurally Characterized Salt of a New Class of Guanidinate Compounds","Inorganic Chemistry","2011","50","","3799","3803","10.1021/ic2002089","powder diffraction","","","","","","","","","","","","3.7457","","","","","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324923","4.0892","0.0012","11.205","0.003","6.0175","0.0017","90","","90","","90","","275.72","0.13","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","RbOH(H2O)","","- H3 O2 Rb -","- O2 Rb -","- O8 Rb4 -","4","0.5","","Veronika Hoepfner; Richard Dronskowski","RbCN3H4: The First Structurally Characterized Salt of a New Class of Guanidinate Compounds","Inorganic Chemistry","2011","50","","3799","3803","10.1021/ic2002089","powder diffraction","","","","","","","","","","","","16.3981","","","","","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324924","19.0525","0.0017","19.0525","0.0017","18.1522","0.0015","90","","90","","120","","5706.4","0.9","123","2","123","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C42 H90 Cl2 N10 Ni2 O12 S2 -","- C42 H90 Cl2 N10 Ni2 O12 S2 -","- C126 H270 Cl6 N30 Ni6 O36 S6 -","3","0.5","","Huan-Yong Li; Long Jiang; Hua Xiang; Trevor A. Makal; Hong-Cai Zhou; Tong-Bu Lu","Construction of Two 3D Homochiral Frameworks with 1D Chiral Pores via Chiral Recognition","Inorganic Chemistry","2011","50","","3177","3179","10.1021/ic200264s","","","1.54178","CuKα","","0.1426","0.0894","","","0.2024","0.2183","","","","","","1.061","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324925","19.0992","0.0012","19.0992","0.0012","17.8228","0.0012","90","","90","","120","","5630.4","0.6","123","2","123","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C42 H90 Cl2 N10 Ni2 O12 S2 -","- C42 H90 Cl2 N10 Ni2 O12 S2 -","- C126 H270 Cl6 N30 Ni6 O36 S6 -","3","0.5","","Huan-Yong Li; Long Jiang; Hua Xiang; Trevor A. Makal; Hong-Cai Zhou; Tong-Bu Lu","Construction of Two 3D Homochiral Frameworks with 1D Chiral Pores via Chiral Recognition","Inorganic Chemistry","2011","50","","3177","3179","10.1021/ic200264s","","","1.54178","CuKα","","0.1257","0.0901","","","0.2229","0.2416","","","","","","0.972","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324926","9.9984","0.0004","24.3664","0.001","15.1535","0.0006","90","","95.606","0.002","90","","3674.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Cu4 F24 N12 P6 -","- C58 H60 Cu4 F24 N12 P6 -","- C116 H120 Cu8 F48 N24 P12 -","2","0.5","","Tomohiro Agou; Manuel Sébastian; Christophe Lescop; Régis Réau","Folding of a Supramolecular Framework Based on a Tetrametallic Clip Driven by π-π Interactions","Inorganic Chemistry","2011","50","","3183","3185","10.1021/ic200268c","","","0.71073","MoKα","","0.0962","0.0562","","","0.1372","0.157","","","","","","1.024","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324927","12.849","0.002","12.981","0.002","20.113","0.003","73.033","0.005","90.042","0.005","86.256","0.005","3201.1","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H52 B2 Cl10 Cu2 F8 N4 P3 -","- C55 H52 B2 Cl10 Cu2 F8 N4 P3 -","- C110 H104 B4 Cl20 Cu4 F16 N8 P6 -","2","1","","Tomohiro Agou; Manuel Sébastian; Christophe Lescop; Régis Réau","Folding of a Supramolecular Framework Based on a Tetrametallic Clip Driven by π-π Interactions","Inorganic Chemistry","2011","50","","3183","3185","10.1021/ic200268c","","","0.71069","MoKα","","0.065","0.0534","","","0.1537","0.1702","","","","","","1.125","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324928","15.367","0.004","18.717","0.004","27.879","0.007","97.301","0.002","98.417","0.002","105.936","0.002","7509","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C124 H100 B0 Cl0 Cu4 F0 N8 P6 -","- C124 H100 Cu4 N8 P6 -","- C248 H200 Cu8 N16 P12 -","2","1","","Tomohiro Agou; Manuel Sébastian; Christophe Lescop; Régis Réau","Folding of a Supramolecular Framework Based on a Tetrametallic Clip Driven by π-π Interactions","Inorganic Chemistry","2011","50","","3183","3185","10.1021/ic200268c","","","0.71069","MoKα","","0.2622","0.1327","","","0.3239","0.3571","","","","","","0.828","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324929","16.6852","0.0019","16.0034","0.0007","11.2335","0.0013","90","","131.437","0.019","90","","2248.7","0.8","290","2","290","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C20 H43 B22 F22 Hg N3 -","- C20 H43 B22 F22 Hg N3 -","- C40 H86 B44 F44 Hg2 N6 -","2","0.5","","Alexander Himmelspach; Manfred Zähres; Maik Finze","Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2-: Coordination of Acetonitrile and Water","Inorganic Chemistry","2011","50","","3186","3188","10.1021/ic200330d","","","0.71073","MoKα","","0.0264","0.0263","","","0.0593","0.0595","","","","","","1.014","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324930","11.3347","0.0005","32.344","0.003","22.6802","0.0011","90","","92.366","0.004","90","","8307.7","0.9","107","2","107","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H82 B44 F44 Hg2 N4 O -","- C36 H82 B44 F44 Hg2 N4 O -","- C144 H328 B176 F176 Hg8 N16 O4 -","4","1","","Alexander Himmelspach; Manfred Zähres; Maik Finze","Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2-: Coordination of Acetonitrile and Water","Inorganic Chemistry","2011","50","","3186","3188","10.1021/ic200330d","","","0.71073","MoKα","","0.0914","0.0609","","","0.1489","0.1573","","","","","","1.077","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324931","24.2173","0.0019","10.1441","0.0005","21.409","0.0016","90","","103.561","0.009","90","","5112.8","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 B11 F11 Hg N -","- C15 H25 B11 F11 Hg N -","- C120 H200 B88 F88 Hg8 N8 -","8","1","","Alexander Himmelspach; Manfred Zähres; Maik Finze","Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2-: Coordination of Acetonitrile and Water","Inorganic Chemistry","2011","50","","3186","3188","10.1021/ic200330d","","","0.71073","MoKα","","0.0837","0.0516","","","0.1192","0.1401","","","","","","1.082","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324932","26.957","0.019","11.025","0.008","24.602","0.015","90","","119.74","0.03","90","","6349","8","293","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Co F5.96 N4 O7 -","- C28 H20 Co F5.96 N4 O7 -","- C224 H160 Co8 F47.68 N32 O56 -","8","1","","Pradip Pachfule; Raja Das; Pankaj Poddar; Rahul Banerjee","Structural, Magnetic, and Gas Adsorption Study of a Series of Partially Fluorinated Metal-Organic Frameworks (HF-MOFs)","Inorganic Chemistry","2011","50","","3855","3865","10.1021/ic1017246","","","0.71073","MoKα","","0.1143","0.1097","","","0.2508","0.2659","","","","","","1.054","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324933","26.194","0.013","10.524","0.005","8.243","0.004","90","","90","","90","","2272.3","1.9","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H17 Co F6 N O5 -","- C23 H17 Co F6 N O5 -","- C92 H68 Co4 F24 N4 O20 -","4","1","","Pradip Pachfule; Raja Das; Pankaj Poddar; Rahul Banerjee","Structural, Magnetic, and Gas Adsorption Study of a Series of Partially Fluorinated Metal-Organic Frameworks (HF-MOFs)","Inorganic Chemistry","2011","50","","3855","3865","10.1021/ic1017246","","","0.71073","MoKα","","0.0641","0.055","","","0.1133","0.1168","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324934","28.086","0.008","7.583","0.002","12.109","0.003","90","","105.461","0.005","90","","2485.6","1.1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C46 H32 F12 Mn2 N2 O9 -","- C46 H32 F12 Mn2 N2 O9 -","- C92 H64 F24 Mn4 N4 O18 -","2","0.5","","Pradip Pachfule; Raja Das; Pankaj Poddar; Rahul Banerjee","Structural, Magnetic, and Gas Adsorption Study of a Series of Partially Fluorinated Metal-Organic Frameworks (HF-MOFs)","Inorganic Chemistry","2011","50","","3855","3865","10.1021/ic1017246","","","0.71073","MoKα","","0.0959","0.0682","","","0.1675","0.1797","","","","","","1.01","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324935","26.406","0.008","10.626","0.003","8.473","0.003","90","","90","","90","","2377.4","1.3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H17 F6 Mn N O5 -","- C23 H17 F6 Mn N O5 -","- C92 H68 F24 Mn4 N4 O20 -","4","1","","Pradip Pachfule; Raja Das; Pankaj Poddar; Rahul Banerjee","Structural, Magnetic, and Gas Adsorption Study of a Series of Partially Fluorinated Metal-Organic Frameworks (HF-MOFs)","Inorganic Chemistry","2011","50","","3855","3865","10.1021/ic1017246","","","0.71073","MoKα","","0.0405","0.0354","","","0.0913","0.0935","","","","","","1.052","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324936","12.4979","0.0006","22.0221","0.0012","12.9244","0.0004","90","","103.126","0.003","90","","3464.2","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H82 Cu2 F12 Fe2 N8 O15 P2 -","- C60 H82 Cu2 F12 Fe2 N8 O15 P2 -","- C120 H164 Cu4 F24 Fe4 N16 O30 P4 -","2","0.5","","Martin Jarenmark; Matti Haukka; Serhiy Demeshko; Felix Tuczek; Luca Zuppiroli; Franc Meyer; Ebbe Nordlander","Synthesis, Characterization, and Reactivity Studies of Heterodinuclear Complexes Modeling Active Sites in Purple Acid Phospatases","Inorganic Chemistry","2011","50","","3866","3887","10.1021/ic1020324","","","0.71073","MoKα","","0.0948","0.0515","","","0.119","0.1377","","","","","","1.026","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324937","10.4714","0.0002","13.6885","0.0004","12.6895","0.0004","90","","99.067","0.002","90","","1796.16","0.09","120","2","120","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C31 H40 Co F6 Fe N4 O8 P -","- C31 H40 Co F6 Fe N4 O8 P -","- C62 H80 Co2 F12 Fe2 N8 O16 P2 -","2","1","","Martin Jarenmark; Matti Haukka; Serhiy Demeshko; Felix Tuczek; Luca Zuppiroli; Franc Meyer; Ebbe Nordlander","Synthesis, Characterization, and Reactivity Studies of Heterodinuclear Complexes Modeling Active Sites in Purple Acid Phospatases","Inorganic Chemistry","2011","50","","3866","3887","10.1021/ic1020324","","","0.71073","MoKα","","0.0456","0.0367","","","0.0868","0.0916","","","","","","1.035","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324938","10.4533","0.0003","13.6671","0.0004","12.6719","0.0002","90","","98.781","0.002","90","","1789.17","0.08","120","2","120","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C31 H40 F6 Fe N4 Ni O8 P -","- C31 H40 F6 Fe N4 Ni O8 P -","- C62 H80 F12 Fe2 N8 Ni2 O16 P2 -","2","1","","Martin Jarenmark; Matti Haukka; Serhiy Demeshko; Felix Tuczek; Luca Zuppiroli; Franc Meyer; Ebbe Nordlander","Synthesis, Characterization, and Reactivity Studies of Heterodinuclear Complexes Modeling Active Sites in Purple Acid Phospatases","Inorganic Chemistry","2011","50","","3866","3887","10.1021/ic1020324","","","0.71073","MoKα","","0.0497","0.0393","","","0.0931","0.0976","","","","","","1.029","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324939","18.9033","0.0006","13.75","0.0007","14.9602","0.0005","90","","90.29","0.002","90","","3888.4","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 F6 Fe N4 O7 P Zn -","- C38 H42 F6 Fe N4 O7 P Zn -","- C152 H168 F24 Fe4 N16 O28 P4 Zn4 -","4","1","","Martin Jarenmark; Matti Haukka; Serhiy Demeshko; Felix Tuczek; Luca Zuppiroli; Franc Meyer; Ebbe Nordlander","Synthesis, Characterization, and Reactivity Studies of Heterodinuclear Complexes Modeling Active Sites in Purple Acid Phospatases","Inorganic Chemistry","2011","50","","3866","3887","10.1021/ic1020324","","","0.71073","MoKα","","0.059","0.0352","","","0.0811","0.0908","","","","","","1.005","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324940","8.6859","0.0004","10.7477","0.0004","8.8425","0.0003","90","","90.707","0.004","90","","825.42","0.06","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","boron nickel gallium alloy","","","- B14 Ga3 Ni27 -","- B14 Ga3 Ni27 -","- B28 Ga6 Ni54 -","2","0.5","","Monique Tillard; Claude Belin","New Nickel Gallium Boride, B14Ga3Ni27: Synthesis and Crystal Structure","Inorganic Chemistry","2011","50","","3907","3912","10.1021/ic102212n","","","0.71073","MoKα","","0.0255","0.0225","","","0.053","0.0543","","","","","","1.132","","","","has coordinates,has Fobs","179352","2020-10-21","18:00:00",""
"4324941","15.064","0.0019","35.82","0.005","13.1134","0.0017","90","","103.036","0.004","90","","6893.5","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H86 Cu4 N4 O13 -","- C72 H78 Cu4 N4 O13 -","- C288 H312 Cu16 N16 O52 -","4","0.5","","Mrinal Sarkar; Rodolphe Clérac; Corine Mathonière; Nigel G. R. Hearns; Valerio Bertolasi; Debashis Ray","New Phenoxido-Bridged Quasi-Tetrahedral and Rhomboidal [Cu4] Compounds Bearing μ4-Oxido or μ1,1-Azido Ligands: Synthesis, Chemical Reactivity, and Magnetic Studies","Inorganic Chemistry","2011","50","","3922","3933","10.1021/ic102226j","","","0.71073","MoKα","","0.0949","0.0589","","","0.1567","0.1805","","","","","","1.078","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324942","17.6314","0.001","16.565","0.001","19.2469","0.0011","90","","103.887","0.002","90","","5457","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H32.5 Cu2 N11.5 O1.5 -","- C22.5 H29 Cu2 N11.5 O1.5 -","- C180 H232 Cu16 N92 O12 -","8","1","","Mrinal Sarkar; Rodolphe Clérac; Corine Mathonière; Nigel G. R. Hearns; Valerio Bertolasi; Debashis Ray","New Phenoxido-Bridged Quasi-Tetrahedral and Rhomboidal [Cu4] Compounds Bearing μ4-Oxido or μ1,1-Azido Ligands: Synthesis, Chemical Reactivity, and Magnetic Studies","Inorganic Chemistry","2011","50","","3922","3933","10.1021/ic102226j","","","0.71073","MoKα","","0.075","0.043","","","0.1039","0.1186","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324943","12.6302","0.0005","12.6302","0.0005","28.8439","0.0012","90","","90","","90","","4601.2","0.3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H58 Cl4 Cu4 N4 O3 -","- C42 H58 Cl4 Cu4 N4 O3 -","- C168 H232 Cl16 Cu16 N16 O12 -","4","0.25","","Mrinal Sarkar; Rodolphe Clérac; Corine Mathonière; Nigel G. R. Hearns; Valerio Bertolasi; Debashis Ray","New Phenoxido-Bridged Quasi-Tetrahedral and Rhomboidal [Cu4] Compounds Bearing μ4-Oxido or μ1,1-Azido Ligands: Synthesis, Chemical Reactivity, and Magnetic Studies","Inorganic Chemistry","2011","50","","3922","3933","10.1021/ic102226j","","","0.71073","MoKα","","0.0816","0.0488","","","0.1819","0.2282","","","","","","0.844","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4324944","9.293","0.003","10.736","0.003","11.436","0.004","85.311","0.014","83.961","0.013","79.865","0.014","1114.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl2 N4 Pt -","- C26 H18 Cl2 N4 Pt -","- C52 H36 Cl4 N8 Pt2 -","2","1","","Si-Hai Wu; Stephen E. Burkhardt; Jiannian Yao; Yu-Wu Zhong; Héctor D. Abruña","Near-Infrared Absorbing and Emitting RuII-PtII Heterodimetallic Complexes of Dpdpz (Dpdpz = 2,3-Di(2-pyridyl)-5,6-diphenylpyrazine)","Inorganic Chemistry","2011","50","","3959","3969","10.1021/ic1023696","","","0.71073","MoKα","","0.0496","0.0345","","","0.0712","0.0745","","","","","","0.997","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324945","12.404","0.003","31.06","0.007","7.2419","0.0017","90","","105.571","0.004","90","","2687.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N8 Pt S4 -","- C23 H15 N8 Pt S4 -","- C92 H60 N32 Pt4 S16 -","4","1","","Wen-Bo Pei; Jian-Sheng Wu; Zheng-Fang Tian; Xiao-Ming Ren; You Song","Stack Pattern of the Countercation-Modulating Magnetic Property of Low-Dimensional [Pt(mnt)2]- Monoanion Spin Systems","Inorganic Chemistry","2011","50","","3970","3980","10.1021/ic102406u","","","0.71073","MoKα","","0.1219","0.0983","","","0.2493","0.2618","","","","","","1.026","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324946","7.3903","0.0008","26.318","0.003","12.7696","0.0015","90","","105.945","0.002","90","","2388.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cl N6 Pt S4 -","- C20 H12 Cl N6 Pt S4 -","- C80 H48 Cl4 N24 Pt4 S16 -","4","1","","Wen-Bo Pei; Jian-Sheng Wu; Zheng-Fang Tian; Xiao-Ming Ren; You Song","Stack Pattern of the Countercation-Modulating Magnetic Property of Low-Dimensional [Pt(mnt)2]- Monoanion Spin Systems","Inorganic Chemistry","2011","50","","3970","3980","10.1021/ic102406u","","","0.71073","MoKα","","0.0519","0.0341","","","0.0999","0.1383","","","","","","0.999","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324947","11.533","0.004","14.191","0.005","15.786","0.005","73.318","0.007","74.034","0.007","68.03","0.006","2253.9","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 N6 Pt S4 -","- C20 H13 N6 Pt S4 -","- C80 H52 N24 Pt4 S16 -","4","2","","Wen-Bo Pei; Jian-Sheng Wu; Zheng-Fang Tian; Xiao-Ming Ren; You Song","Stack Pattern of the Countercation-Modulating Magnetic Property of Low-Dimensional [Pt(mnt)2]- Monoanion Spin Systems","Inorganic Chemistry","2011","50","","3970","3980","10.1021/ic102406u","","","0.71073","MoKα","","0.0754","0.0396","","","0.0825","0.0926","","","","","","0.884","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324948","9.762","0.007","27.08","0.02","9.651","0.008","90","","92.42","0.07","90","","2549","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(8-dimethylphosphinoquinoline)copper(I) Hexafluorophosphate","","- C22 H24 Cu F6 N2 P3 -","- C22 H24 Cu F6 N2 P3 -","- C88 H96 Cu4 F24 N8 P12 -","4","1","","Takayoshi Suzuki; Hiroshi Yamaguchi; Akira Hashimoto; Koichi Nozaki; Mototsugu Doi; Naoya Inazumi; Noriaki Ikeda; Satoshi Kawata; Masaaki Kojima; Hideo D. Takagi","Orange and Yellow Crystals of Copper(I) Complexes Bearing 8-(Diphenylphosphino)quinoline: A Pair of Distortion Isomers of an Intrinsic Tetrahedral Complex","Inorganic Chemistry","2011","50","","3981","3987","10.1021/ic1024636","","","0.71075","MoKα","","0.0979","0.0592","","","0.1102","0.1183","","","","","","1.001","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324949","8.6882","0.0005","12.207","0.0006","17.3712","0.0009","88.981","0.001","80.862","0.002","79.761","0.001","1789.88","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","Bis(8-diphenylphosphinoquinoline)copper(I) tetrafluoroborate","","- C42 H32 B Cu F4 N2 P2 -","- C42 H32 B Cu F4 N2 P2 -","- C84 H64 B2 Cu2 F8 N4 P4 -","2","1","","Takayoshi Suzuki; Hiroshi Yamaguchi; Akira Hashimoto; Koichi Nozaki; Mototsugu Doi; Naoya Inazumi; Noriaki Ikeda; Satoshi Kawata; Masaaki Kojima; Hideo D. Takagi","Orange and Yellow Crystals of Copper(I) Complexes Bearing 8-(Diphenylphosphino)quinoline: A Pair of Distortion Isomers of an Intrinsic Tetrahedral Complex","Inorganic Chemistry","2011","50","","3981","3987","10.1021/ic1024636","","","0.71075","MoKα","","0.0448","0.0389","","","0.1428","0.1602","","","","","","1.113","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324950","10.8254","0.0011","14.8647","0.0017","22.025","0.003","90","","99.646","0.006","90","","3494.1","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(8-diphenylphosphinoquinoline)copper(I) tetrafluoroborate","","- C42 H32 B Cu F4 N2 P2 -","- C42 H32 B Cu F4 N2 P2 -","- C168 H128 B4 Cu4 F16 N8 P8 -","4","1","","Takayoshi Suzuki; Hiroshi Yamaguchi; Akira Hashimoto; Koichi Nozaki; Mototsugu Doi; Naoya Inazumi; Noriaki Ikeda; Satoshi Kawata; Masaaki Kojima; Hideo D. Takagi","Orange and Yellow Crystals of Copper(I) Complexes Bearing 8-(Diphenylphosphino)quinoline: A Pair of Distortion Isomers of an Intrinsic Tetrahedral Complex","Inorganic Chemistry","2011","50","","3981","3987","10.1021/ic1024636","","","0.71075","MoKα","","0.0687","0.0353","","","0.059","0.0621","","","","","","0.998","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324951","14.063","0.003","15.106","0.003","15.981","0.003","76.91","0.03","80.1","0.03","66.84","0.03","3027.2","1.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cr Mn3 N14 O8 -","- C60 H52 Cr Mn3 N14 O8 -","- C120 H104 Cr2 Mn6 N28 O16 -","2","1","","Chun Yang; Qing-Lun Wang; Jing Qi; Yue Ma; Shi-Ping Yan; Guang-Ming Yang; Peng Cheng; Dai-Zheng Liao","Two Novel Cyanide-Bridged Bimetallic Magnetic Chains Derived from Manganese(III) Schiff Bases and Hexacyanochromate(III) Building Blocks","Inorganic Chemistry","2011","50","","4006","4015","10.1021/ic102495t","","","0.71073","MoKα","","0.0807","0.0622","","","0.1574","0.172","","","","","","1.075","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324952","37.771","0.008","11.199","0.002","19.971","0.004","90","","115.58","0.03","90","","7620","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H28.25 Cl3 Cr0.5 Mn1.5 N6 O7.75 -","- C29.5 H28.25 Cl3 Cr0.5 Mn1.5 N6 O7.75 -","- C236 H226 Cl24 Cr4 Mn12 N48 O62 -","8","1","","Chun Yang; Qing-Lun Wang; Jing Qi; Yue Ma; Shi-Ping Yan; Guang-Ming Yang; Peng Cheng; Dai-Zheng Liao","Two Novel Cyanide-Bridged Bimetallic Magnetic Chains Derived from Manganese(III) Schiff Bases and Hexacyanochromate(III) Building Blocks","Inorganic Chemistry","2011","50","","4006","4015","10.1021/ic102495t","","","0.71073","MoKα","","0.1057","0.0853","","","0.2137","0.2301","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324953","14.4314","0.0006","10.7798","0.0003","19.9491","0.0009","90","","103.27","0.0018","90","","3020.6","0.2","150","","150","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C18 H37 Ag K N2 O6 P7 -","- C18 H37 Ag K N2 O6 P7 -","- C72 H148 Ag4 K4 N8 O24 P28 -","4","1","","Caroline M. Knapp; Charlotte S. Jackson; Joseph S. Large; Amber L. Thompson; Jose M. Goicoechea","Heteroatomic Molecular Clusters Derived from Group 15 Zintl Ion Cages: Synthesis and Isolation of [M2(HP7)2]2- (M = Ag, Au), Two Novel Cluster Anions Exhibiting Metallophilic Interactions","Inorganic Chemistry","2011","50","","4021","4028","10.1021/ic102516g","","","0.6889","Synchrotron","","0.1257","0.1003","","0.1451","0.1124","0.1124","","","","","","1.0003","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324954","10.7536","0.0001","27.0054","0.0002","10.6651","0.0001","90","","92.3363","0.0005","90","","3094.63","0.05","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 Ag2 K2 N4 O12 P14 -","- C36 H74 Ag2 K2 N4 O12 P14 -","- C72 H148 Ag4 K4 N8 O24 P28 -","2","0.5","","Caroline M. Knapp; Charlotte S. Jackson; Joseph S. Large; Amber L. Thompson; Jose M. Goicoechea","Heteroatomic Molecular Clusters Derived from Group 15 Zintl Ion Cages: Synthesis and Isolation of [M2(HP7)2]2- (M = Ag, Au), Two Novel Cluster Anions Exhibiting Metallophilic Interactions","Inorganic Chemistry","2011","50","","4021","4028","10.1021/ic102516g","","","0.71073","MoKα","","0.0582","0.0313","","0.0783","0.06","0.0783","","","","","","0.9505","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4324955","14.413","0.0002","10.8462","0.0002","19.9351","0.0004","90","","102.877","0.0008","90","","3038","0.09","150","","150","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H74 Au2 K2 N4 O12 P14 -","- C36 H74 Au2 K2 N4 O12 P14 -","- C72 H148 Au4 K4 N8 O24 P28 -","2","0.5","","Caroline M. Knapp; Charlotte S. Jackson; Joseph S. Large; Amber L. Thompson; Jose M. Goicoechea","Heteroatomic Molecular Clusters Derived from Group 15 Zintl Ion Cages: Synthesis and Isolation of [M2(HP7)2]2- (M = Ag, Au), Two Novel Cluster Anions Exhibiting Metallophilic Interactions","Inorganic Chemistry","2011","50","","4021","4028","10.1021/ic102516g","","","0.71073","MoKα","","0.0819","0.0488","","0.1417","0.1289","0.1417","","","","","","0.9335","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4324956","8.282","0.003","13.35","0.004","11.66","0.004","90","","95.55","0.02","90","","1283.1","0.7","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H34 B2 Cu F8 N6 O -","- C19 H30 B2 Cu F8 N6 O -","- C38 H60 B4 Cu2 F16 N12 O2 -","2","1","","Abir El Majzoub; Cyril Cadiou; Isabelle Déchamps-Olivier; Bernard Tinant; Françoise Chuburu","Cyclam-methylbenzimidazole: a Selective OFF-ON Fluorescent Sensor for Zinc","Inorganic Chemistry","2011","50","","4029","4038","10.1021/ic102521g","","","0.71069","MoKα","","0.0879","0.0836","","","0.1943","0.1983","","","","","","0.352","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324957","24.0508","0.0014","24.0508","","8.8378","0.0005","90","","90","","90","","5112.1","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 42 b c","P 4c -2ab","106","","","","- C18 H30 Cd N8 O6 -","- C18 H30 Cd N8 O6 -","- C144 H240 Cd8 N64 O48 -","8","1","","Abir El Majzoub; Cyril Cadiou; Isabelle Déchamps-Olivier; Bernard Tinant; Françoise Chuburu","Cyclam-methylbenzimidazole: a Selective OFF-ON Fluorescent Sensor for Zinc","Inorganic Chemistry","2011","50","","4029","4038","10.1021/ic102521g","","x-ray","0.71073","MoKα","","0.0305","0.028","","","0.0592","0.06","","","","","","1.117","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324958","10.5591","0.0002","10.3507","0.0002","24.2916","0.0005","90","","93.3972","0.0019","90","","2650.26","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H48 Co2 N4 O22 S12 -","- C38 H36 Co2 N4 O22 S12 -","- C76 H72 Co4 N8 O44 S24 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.0607","0.0511","","","0.1134","0.1158","","","","","","0.984","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324959","10.4392","0.0002","10.527","0.0002","23.9133","0.0003","90","","90","","90","","2627.92","0.08","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H46 Fe2 N4 O21 S12 -","- C38 H36 Fe2 N4 O21 S12 -","- C76 H72 Fe4 N8 O42 S24 -","2","2","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.0481","0.0394","","","0.0925","0.0968","","","","","","0.991","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324960","16.4999","0.0008","10.7581","0.0004","18.9837","0.0009","90","","102.388","0.002","90","","3291.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H74 Cr4 N8 O45 -","- C40 H48 Cr4 N8 O45 -","- C80 H96 Cr8 N16 O90 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.1383","0.0778","","","0.177","0.2084","","","","","","1.039","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324961","10.3219","0.0005","24.9435","0.0011","10.7594","0.0005","90","","90.399","0.003","90","","2770.1","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H48 Co2 N4 O22 Se12 -","- C38 H36 Co2 N4 O22 Se12 -","- C76 H72 Co4 N8 O44 Se24 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.1059","0.0731","","","0.1648","0.1847","","","","","","1.04","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324962","10.9413","0.0005","10.4374","0.0004","25.0015","0.0011","90","","94.188","0.002","90","","2847.5","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H48 Fe2 N4 O22 Se12 -","- C38 H36 Fe2 N4 O22 Se12 -","- C76 H72 Fe4 N8 O44 Se24 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.1506","0.0876","","","0.1619","0.1889","","","","","","1.043","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324963","10.8846","0.0005","10.3773","0.0005","25.0263","0.001","90","","94.094","0.003","90","","2819.6","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H48 Cr2 N4 O22 Se12 -","- C38 H36 Cr2 N4 O22 Se12 -","- C76 H72 Cr4 N8 O44 Se24 -","2","1","","Nikola Paul Chmel; Guy J. Clarkson; Alessandro Troisi; Scott S. Turner; Peter Scott","Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family","Inorganic Chemistry","2011","50","","4039","4046","10.1021/ic102522k","","","0.71073","MoKα","","0.1383","0.095","","","0.1884","0.2145","","","","","","1.081","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324964","11.083","0.003","12.203","0.004","12.885","0.004","107.899","0.005","91.885","0.005","115.169","0.005","1473.5","0.8","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H72 Br12 I2 N2 Si6 -","- C32 H72 Br12 I2 N2 Si6 -","- C32 H72 Br12 I2 N2 Si6 -","1","0.5","","Xuliang Dai; Seok-Bong Choi; Christopher W. Braun; Pooja Vaidya; Svetlana Kilina; Angel Ugrinov; Douglas L. Schulz; Philip Boudjouk","Halide Coordination of Perhalocyclohexasilane Si6X12 (X = Cl or Br)","Inorganic Chemistry","2011","50","","4047","4053","10.1021/ic102535n","","","0.71073","MoKα","","0.0671","0.0547","","","0.1788","0.1922","","","","","","1.092","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324965","17.624","0.012","9.765","0.007","13.506","0.009","90","","109.914","0.009","90","","2185","3","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cl12 Si6 -","- Cl12 Si6 -","- Cl48 Si24 -","4","0.5","","Xuliang Dai; Seok-Bong Choi; Christopher W. Braun; Pooja Vaidya; Svetlana Kilina; Angel Ugrinov; Douglas L. Schulz; Philip Boudjouk","Halide Coordination of Perhalocyclohexasilane Si6X12 (X = Cl or Br)","Inorganic Chemistry","2011","50","","4047","4053","10.1021/ic102535n","","","0.71073","MoKα","","0.0371","0.032","","","0.0801","0.0835","","","","","","1.038","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324966","18.115","0.007","19.081","0.007","18.331","0.007","90","","97.36","0.008","90","","6284","4","273","2","253","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H74 Cl14 I2 N2 Si6 -","- C33 H74 Cl14 I2 N2 Si6 -","- C132 H296 Cl56 I8 N8 Si24 -","4","1","","Xuliang Dai; Seok-Bong Choi; Christopher W. Braun; Pooja Vaidya; Svetlana Kilina; Angel Ugrinov; Douglas L. Schulz; Philip Boudjouk","Halide Coordination of Perhalocyclohexasilane Si6X12 (X = Cl or Br)","Inorganic Chemistry","2011","50","","4047","4053","10.1021/ic102535n","","","0.71073","MoKα","","0.1376","0.0759","","","0.238","0.2947","","","","","","1.046","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324967","11.106","0.004","12.084","0.004","12.741","0.004","107.503","0.006","91.912","0.006","115.239","0.006","1448.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Br14 N2 Si6 -","- C32 H72 Br14 N2 Si6 -","- C32 H72 Br14 N2 Si6 -","1","0.5","","Xuliang Dai; Seok-Bong Choi; Christopher W. Braun; Pooja Vaidya; Svetlana Kilina; Angel Ugrinov; Douglas L. Schulz; Philip Boudjouk","Halide Coordination of Perhalocyclohexasilane Si6X12 (X = Cl or Br)","Inorganic Chemistry","2011","50","","4047","4053","10.1021/ic102535n","","","0.71073","MoKα","","0.0972","0.0509","","","0.1371","0.171","","","","","","0.983","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324968","8.2214","0.001","19.411","0.002","9.2205","0.0011","90","","103.768","0.005","90","","1429.2","0.3","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H21 B10 Cl O2 -","- C4 H21 B10 Cl O2 -","- C16 H84 B40 Cl4 O8 -","4","1","","William C. Ewing; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes","Inorganic Chemistry","2011","50","","4054","4064","10.1021/ic102544v","","","0.71073","MoKα","","0.0265","0.0243","","","0.0682","0.0703","","","","","","1.058","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324969","7.6495","0.0015","9.7633","0.0019","11.127","0.003","104.353","0.012","106.187","0.013","109.288","0.009","698.3","0.3","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H21 B10 Cl O2 -","- C4 H21 B10 Cl O2 -","- C8 H42 B20 Cl2 O4 -","2","1","","William C. Ewing; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes","Inorganic Chemistry","2011","50","","4054","4064","10.1021/ic102544v","","","0.71073","MoKα","","0.0383","0.0346","","","0.0889","0.0928","","","","","","1.041","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324970","8.373","0.006","9.848","0.009","12.388","0.009","90","","102.34","0.04","90","","997.9","1.4","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H16 B10 O -","- C H16 B10 O -","- C4 H64 B40 O4 -","4","1","","William C. Ewing; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes","Inorganic Chemistry","2011","50","","4054","4064","10.1021/ic102544v","","","0.71073","MoKα","","0.0686","0.0471","","","0.1143","0.1299","","","","","","0.974","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324971","5.8342","0.0004","10.4766","0.0007","10.5591","0.0007","90","","96.879","0.002","90","","640.75","0.07","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H22 B10 O -","- C4 H22 B10 O -","- C8 H44 B20 O2 -","2","1","","William C. Ewing; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes","Inorganic Chemistry","2011","50","","4054","4064","10.1021/ic102544v","","","0.71073","MoKα","","0.0361","0.0346","","","0.0929","0.0937","","","","","","1.113","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324972","7.094","0.003","12.518","0.005","14.907","0.006","68.796","0.015","86.318","0.018","77.129","0.015","1203","0.9","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C4 H18 B10 O -","- C4 H18 B10 O -","- C16 H72 B40 O4 -","4","2","","William C. Ewing; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes","Inorganic Chemistry","2011","50","","4054","4064","10.1021/ic102544v","","","0.71073","MoKα","","0.0464","0.0416","","","0.1176","0.121","","","","","","1.042","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324973","16.6","0.002","6.6881","0.0009","10.1106","0.0014","90","","91.691","0.003","90","","1122","0.3","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H36 B20 O2 -","- C6 H36 B20 O2 -","- C12 H72 B40 O4 -","2","0.5","","William C. Ewing; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes","Inorganic Chemistry","2011","50","","4054","4064","10.1021/ic102544v","","","0.71073","MoKα","","0.058","0.0462","","","0.1063","0.1141","","","","","","1.053","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324974","15.136","0.003","16.413","0.003","14.909","0.003","90","","90","","90","","3703.8","1.2","100","2","100","2","","","","","","","","8","P n n 2","P 2 -2n","34","","","","- C72 H80 B2 F8 N5 Ni O8.5 P4 -","- C72 H80 B2 F8 N5 Ni O8.5 P4 -","- C144 H160 B4 F16 N10 Ni2 O17 P8 -","2","0.5","","Avijita Jain; Sheri Lense; John C. Linehan; Simone Raugei; Herman Cho; Daniel L. DuBois; Wendy J. Shaw","Incorporating Peptides in the Outer-Coordination Sphere of Bioinspired Electrocatalysts for Hydrogen Production","Inorganic Chemistry","2011","50","","4073","4085","10.1021/ic1025872","","","0.71073","MoKα","","0.1539","0.0847","","","0.2007","0.2294","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324975","29.7419","0.0004","13.3262","0.0002","41.233","0.0005","90","","90","","90","","16342.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H20 F64 N8 O5 V -","- C65 H20 F64 N8 O5 V -","- C520 H160 F512 N64 O40 V8 -","8","1","","Łukasz Łapok; Martin Lener; Olga Tsaryova; Stefanie Nagel; Christopher Keil; Robert Gerdes; Derck Schlettwein; Sergiu M. Gorun","Structures and Redox Characteristics of Electron-Deficient Vanadyl Phthalocyanines","Inorganic Chemistry","2011","50","","4086","4091","10.1021/ic2000365","","","1.54178","CuKα","","0.0805","0.0642","","","0.1533","0.1653","","","","","","1.021","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324976","40.8442","0.0012","60.1041","0.0018","6.9411","0.0002","90","","90","","90","","17039.7","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C73 H22 F64 N8 O6 V -","- C73 H22 F64 N8 O6 V -","- C584 H176 F512 N64 O48 V8 -","8","0.5","","Łukasz Łapok; Martin Lener; Olga Tsaryova; Stefanie Nagel; Christopher Keil; Robert Gerdes; Derck Schlettwein; Sergiu M. Gorun","Structures and Redox Characteristics of Electron-Deficient Vanadyl Phthalocyanines","Inorganic Chemistry","2011","50","","4086","4091","10.1021/ic2000365","","","1.54178","CuKα","","0.0793","0.0764","","","0.2176","0.2216","","","","","","1.001","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324977","22.2813","0.0008","14.5879","0.0006","19.2893","0.0007","90","","105.732","0.0004","90","","6034.9","0.4","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H90 N9 Y3 -","- C60 H90 N9 Y3 -","- C240 H360 N36 Y12 -","4","0.5","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0315","0.0247","","","0.0614","0.0642","","","","","","1.035","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324978","27.1898","0.0015","27.1898","0.0015","19.8371","0.0011","90","","90","","120","","12700.5","1.2","148","2","148","2","","","","","","","","4","P -3","-P 3","147","","","","- C78 H117 N18 Sm3 -","- C78 H117 N18 Sm3 -","- C468 H702 N108 Sm18 -","6","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0365","0.0252","","","0.0567","0.0623","","","","","","1.055","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324979","10.8241","0.0004","14.1064","0.0005","14.3236","0.0005","86.1256","0.0004","79.4371","0.0004","83.4938","0.0004","2133.7","0.13","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H63 N7 Sm2 -","- C42 H63 N7 Sm2 -","- C84 H126 N14 Sm4 -","2","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0255","0.0236","","","0.0554","0.0564","","","","","","1.026","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324980","10.3246","0.0004","14.1253","0.0006","15.5657","0.0007","90","","105.16","0.001","90","","2191.07","0.16","93","2","93","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H62 B O2 Y -","- C50 H62 B O2 Y -","- C100 H124 B2 O4 Y2 -","2","0.5","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0428","0.0321","","","0.0734","0.0782","","","","","","1.036","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324981","10.3283","0.0003","14.1678","0.0005","15.6546","0.0005","90","","105.314","0.0004","90","","2209.39","0.12","98","2","98","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H62 B O2 Sm -","- C50 H62 B O2 Sm -","- C100 H124 B2 O4 Sm2 -","2","0.5","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0161","0.0155","","","0.0386","0.0389","","","","","","1.061","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324982","10.9624","0.0005","14.7189","0.0007","34.3027","0.0017","90","","92.5507","0.0007","90","","5529.4","0.5","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 B O2 Y -","- C70 H70 B O2 Y -","- C280 H280 B4 O8 Y4 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0714","0.0413","","","0.0857","0.0956","","","","","","1.008","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324983","11.0392","0.0005","15.5736","0.0008","31.0265","0.0015","90","","90","","90","","5334.1","0.4","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H74 B N2 O2 Y -","- C64 H74 B N2 O2 Y -","- C256 H296 B4 N8 O8 Y4 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0524","0.04","","","0.094","0.098","","","","","","1.024","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324984","10.3569","0.0004","14.1863","0.0005","16.1998","0.0006","90","","106.857","0.0004","90","","2277.9","0.15","93","2","93","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C54 H60 B N2 Sm -","- C54 H60 B N2 Sm -","- C108 H120 B2 N4 Sm2 -","2","0.5","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0194","0.0182","","","0.0457","0.0464","","","","","","1.046","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324985","13.6157","0.0005","18.4964","0.0007","27.1343","0.001","90","","90","","90","","6833.5","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H94 B N2 Y2 -","- C82 H94 B N2 Y2 -","- C328 H376 B4 N8 Y8 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0456","0.0335","","","0.0689","0.0729","","","","","","1.024","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324986","10.5327","0.0005","10.9558","0.0005","11.2847","0.0005","79.5057","0.0006","75.6293","0.0006","85.158","0.0006","1239.29","0.1","148","2","148","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H74 N2 Y2 -","- C58 H74 N2 Y2 -","- C58 H74 N2 Y2 -","1","0.5","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0324","0.0282","","","0.0705","0.0725","","","","","","1.052","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324987","29.5532","0.0004","29.5532","0.0004","36.1951","0.0007","90","","90","","120","","27377.2","0.7","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C60 H288 Cl5 Cu24 Gd6 N25 Na12 O207 -","- C60 H84 Cl Cu24 Gd6 N20 Na12 O144 -","- C180 H252 Cl3 Cu72 Gd18 N60 Na36 O432 -","3","0.166667","","Gui-Lin Zhuang; Wen-Xian Chen; Hai-Xia Zhao; Xiang-Jian Kong; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Two Three-Dimensional 2p-3d-4f Heterometallic Frameworks Featuring a Ln6Cu24Na12 Cluster as a Node","Inorganic Chemistry","2011","50","","3843","3845","10.1021/ic200077r","","","0.71073","MoKα","","0.1073","0.0849","","","0.2284","0.2386","","","","","","1.056","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324988","29.4923","0.0004","29.4923","0.0004","36.1205","0.0007","90","","90","","120","","27208.3","0.7","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C60 H288 Cl5 Cu24 Dy6 N25 Na12 O207 -","- C60 H66 Cl Cu24 Dy6 N20 Na12 O144 -","- C180 H198 Cl3 Cu72 Dy18 N60 Na36 O432 -","3","0.166667","","Gui-Lin Zhuang; Wen-Xian Chen; Hai-Xia Zhao; Xiang-Jian Kong; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Two Three-Dimensional 2p-3d-4f Heterometallic Frameworks Featuring a Ln6Cu24Na12 Cluster as a Node","Inorganic Chemistry","2011","50","","3843","3845","10.1021/ic200077r","","","0.71073","MoKα","","0.1067","0.0808","","","0.2155","0.2258","","","","","","1.014","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324989","8.7379","0.0017","8.912","0.003","11.4","0.002","97.499","0.003","102.981","0.002","119.087","0.002","725.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Cl5 Mo N2 O2 -","- C6 H14 Cl5 Mo N2 O2 -","- C12 H28 Cl10 Mo2 N4 O4 -","2","1","","Sara Dolci; Fabio Marchetti; Guido Pampaloni; Stefano Zacchini","C-N Bond-Forming Self-Condensation of Amide Promoted by MoCl5 at Room Temperature","Inorganic Chemistry","2011","50","","3846","3848","10.1021/ic2001199","","","0.71073","MoKα","","0.0431","0.0421","","","0.1126","0.1134","","","","","","1.132","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324990","10.869","0.006","15.895","0.008","11.934","0.006","90","","107.727","0.006","90","","1963.9","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl4 Mo N2 O2 -","- C16 H17 Cl4 Mo N2 O2 -","- C64 H68 Cl16 Mo4 N8 O8 -","4","1","","Sara Dolci; Fabio Marchetti; Guido Pampaloni; Stefano Zacchini","C-N Bond-Forming Self-Condensation of Amide Promoted by MoCl5 at Room Temperature","Inorganic Chemistry","2011","50","","3846","3848","10.1021/ic2001199","","","0.71073","MoKα","","0.1356","0.0708","","","0.1693","0.225","","","","","","1.057","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324991","22.457","0.003","35.297","0.004","27.478","0.003","90","","113.23","0.002","90","","20015","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85.5 H115.5 Fe2 K2 N12.5 O19.5 -","- C85.5 H115.5 Fe2 K2 N12.5 O19.5 -","- C684 H924 Fe16 K16 N100 O156 -","8","2","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","0.71073","MoKα","","0.0914","0.0678","","","0.1731","0.1873","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324992","16.0915","0.0002","15.5264","0.0002","32.174","0.0004","90","","92.965","0.001","90","","8027.69","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C81.8 H110.69 N8 O17.45 -","- C81.794 H110.689 N8 O17.449 -","- C327.176 H442.756 N32 O69.796 -","4","1","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","1.54178","CuKα","","0.0762","0.065","","","0.1724","0.1832","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324993","15.0668","0.0002","17.0823","0.0003","29.0767","0.0005","92.833","0.001","90.359","0.001","115.244","0.001","6757.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C121 H180 Fe2 K3 N9 O36 -","- C121 H180 Fe2 K3 N9 O36 -","- C242 H360 Fe4 K6 N18 O72 -","2","1","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","1.54178","CuKα","","0.0993","0.0781","","","0.2137","0.2289","","","","","","1.053","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324994","22.217","0.0005","35.2641","0.0008","27.4328","0.0008","90","","112.435","0.001","90","","19865.9","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85.5 H115.5 K2 Mn2 N12.5 O19.5 -","- C85.5 H115.5 K2 Mn2 N12.5 O19.5 -","- C684 H924 K16 Mn16 N100 O156 -","8","2","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","1.54178","CuKα","","0.0691","0.0587","","","0.1597","0.1684","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324995","22.2311","0.0004","35.1796","0.0006","27.2846","0.0005","90","","112.846","0.001","90","","19664.8","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85.5 H115.5 K2 N12.5 Ni2 O19.5 -","- C85.5 H115.5 K2 N12.5 Ni2 O19.5 -","- C684 H924 K16 N100 Ni16 O156 -","8","2","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","1.54178","CuKα","","0.0666","0.061","","","0.1735","0.1803","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324996","22.2621","0.0014","35.414","0.002","27.293","0.002","90","","112.816","0.001","90","","19834","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C85.5 H115.5 K2 N12.5 O19.5 Zn2 -","- C85.5 H115.5 K2 N12.5 O19.5 Zn2 -","- C684 H924 K16 N100 O156 Zn16 -","8","2","","Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera","Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand","Inorganic Chemistry","2011","50","","4107","4115","10.1021/ic200143b","","","0.71073","MoKα","","0.083","0.0582","","","0.1455","0.1578","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324997","9.323","0.0004","11.6735","0.0005","11.7514","0.0005","87.448","0.002","73.626","0.002","67.519","0.002","1130.92","0.09","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N3 Pt -","- C25 H32 N3 Pt -","- C50 H64 N6 Pt2 -","2","1","","Joanna R. Webb; Colleen Munro-Leighton; Aaron W. Pierpont; Joshua T. Gurkin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; Jeffrey L. Petersen; Paul D. Boyle","Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds","Inorganic Chemistry","2011","50","","4195","4211","10.1021/ic200153n","","","0.7107","MoKα","","0.043","0.0316","","","0.0605","0.0647","","","","","","1.001","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324998","12.6369","0.0008","13.5447","0.0004","14.7681","0.0004","114.171","0.001","100.285","0.001","96.691","0.001","2217.88","0.17","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 F7 N4 O6 Pt S2 -","- C36 H46 F6 N4 O7 Pt S2 -","- C72 H92 F12 N8 O14 Pt2 S4 -","2","1","","Joanna R. Webb; Colleen Munro-Leighton; Aaron W. Pierpont; Joshua T. Gurkin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; Jeffrey L. Petersen; Paul D. Boyle","Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds","Inorganic Chemistry","2011","50","","4195","4211","10.1021/ic200153n","","","0.71073","MoKα","","0.0764","0.0548","","","0.1577","0.1727","","","","","","1.158","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324999","8.6069","0.0014","12.698","0.002","13.618","0.002","72.474","0.003","72.801","0.003","87.372","0.003","1354.2","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N4 Pt -","- C30 H36 N4 Pt -","- C60 H72 N8 Pt2 -","2","1","","Joanna R. Webb; Colleen Munro-Leighton; Aaron W. Pierpont; Joshua T. Gurkin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; Jeffrey L. Petersen; Paul D. Boyle","Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds","Inorganic Chemistry","2011","50","","4195","4211","10.1021/ic200153n","","","0.71073","MoKα","","0.0777","0.0529","","","0.086","0.0965","","","","","","1.017","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325000","9.0551","0.0003","11.7591","0.0004","14.6718","0.0005","96.155","0.001","102.157","0.001","90.426","0.001","1517.69","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N2 O3 Pt -","- C34 H42 N2 O3 Pt -","- C68 H84 N4 O6 Pt2 -","2","1","","Joanna R. Webb; Colleen Munro-Leighton; Aaron W. Pierpont; Joshua T. Gurkin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; Jeffrey L. Petersen; Paul D. Boyle","Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds","Inorganic Chemistry","2011","50","","4195","4211","10.1021/ic200153n","","","0.71073","MoKα","","0.032","0.0251","","","0.0684","0.0775","","","","","","0.65","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325001","17.074","0.0013","14.2666","0.0011","20.0974","0.0016","90","","90","","90","","4895.5","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H30 I2 N2 Pt -","- C20 H30 I2 N2 Pt -","- C160 H240 I16 N16 Pt8 -","8","1","","Joanna R. Webb; Colleen Munro-Leighton; Aaron W. Pierpont; Joshua T. Gurkin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; Jeffrey L. Petersen; Paul D. Boyle","Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds","Inorganic Chemistry","2011","50","","4195","4211","10.1021/ic200153n","","","0.71073","MoKα","","0.0638","0.0487","","","0.1332","0.1474","","","","","","1.088","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325002","22.3179","0.0003","22.3179","0.0003","15.1244","0.0002","90","","90","","90","","7533.29","0.17","153","2","153","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C39 H43 I2 N2 Pt -","- C39 H43 I2 N2 Pt -","- C312 H344 I16 N16 Pt8 -","8","1","","Joanna R. Webb; Colleen Munro-Leighton; Aaron W. Pierpont; Joshua T. Gurkin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; Jeffrey L. Petersen; Paul D. Boyle","Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds","Inorganic Chemistry","2011","50","","4195","4211","10.1021/ic200153n","","","0.71073","MoKα","","0.0281","0.0232","","","0.0783","0.0837","","","","","","0.679","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325003","6.7826","0.001","17.136","0.003","21.403","0.003","90","","90","","90","","2487.6","0.7","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H38 B10 N2 O4 -","- C15 H38 B10 N2 O5 -","- C60 H152 B40 N8 O20 -","4","1","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.09","0.0787","","","0.2159","0.2239","","","","","","1.155","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325004","6.6356","0.0008","15.8615","0.0019","19.74","0.002","90","","90","","90","","2077.6","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 B10 N2 O2 -","- C14 H30 B10 N2 O2 -","- C56 H120 B40 N8 O8 -","4","1","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.0484","0.0398","","","0.0926","0.0966","","","","","","1.04","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325005","12.2405","0.001","6.6058","0.0005","31.33","0.003","90","","99.54","0.001","90","","2498.3","0.4","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B10 N2 O2 -","- C22 H30 B10 N2 O2 -","- C88 H120 B40 N8 O8 -","4","2","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.0504","0.0402","","","0.0939","0.0999","","","","","","1.012","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325006","33.866","0.014","6.684","0.003","9.784","0.004","90","","92.669","0.005","90","","2212.3","1.6","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H32 B10 N2 O3 -","- C14 H32 B10 N2 O3 -","- C56 H128 B40 N8 O12 -","4","1","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.063","0.0539","","","0.1472","0.1537","","","","","","1.025","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325007","21.6668","0.0017","21.6668","0.0017","10.4424","0.0008","90","","90","","90","","4902.2","0.7","123","","123","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H32 B10 Br2 N2 O2 -","- C14 H32 B10 Br2 N2 O2 -","- C112 H256 B80 Br16 N16 O16 -","8","1","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.032","0.0259","","","0.0592","0.0608","","","","","","1.057","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325008","9.7591","0.001","10.1277","0.001","15.0464","0.0015","94.212","0.001","102.301","0.001","94.304","0.001","1442.8","0.3","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C22 H32 B10 Cl2 N2 O2 -","- C22 H32 B10 Cl2 N2 O2 -","- C44 H64 B20 Cl4 N4 O4 -","2","2","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.0635","0.0601","","","0.1692","0.1736","","","","","","1.042","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325009","20.8859","0.0014","21.5851","0.0015","22.638","0.0016","90","","90","","90","","10205.8","1.2","173","2","173","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H67 Cl6.75 Fe7.25 N6 O17 -","- C24.5 H54 Cl6.75 Fe7.25 N6 O17.625 -","- C196 H432 Cl54 Fe58 N48 O141 -","8","1","","Shreya Mukherjee; Rashmi Bagai; Khalil A. Abboud; George Christou","Raising the Spin of FeIII7 Disklike Clusters: The Power of Molecular Spin Frustration","Inorganic Chemistry","2011","50","","3849","3851","10.1021/ic200256j","","","0.71073","MoKα","","0.0467","0.0464","","","0.1044","0.1045","","","","","","1.284","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325010","24.482","0.002","27.531","0.002","24.448","0.002","90","","107.965","0.002","90","","15675","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H86 Cl6 Fe7 N12 O30.5 -","- C48 H69 Cl6 Fe7 N12 O28 -","- C384 H552 Cl48 Fe56 N96 O224 -","8","1","","Shreya Mukherjee; Rashmi Bagai; Khalil A. Abboud; George Christou","Raising the Spin of FeIII7 Disklike Clusters: The Power of Molecular Spin Frustration","Inorganic Chemistry","2011","50","","3849","3851","10.1021/ic200256j","","","0.71073","MoKα","","0.102","0.0609","","","0.162","0.1757","","","","","","0.948","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325011","10.773","0.005","10.935","0.005","23.724","0.005","79.498","0.005","86.561","0.005","77.836","0.005","2685.6","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 Cu O P2 S6 W -","- C60 H48 Cu O P2 S6 W -","- C120 H96 Cu2 O2 P4 S12 W2 -","2","1","","Moumita Bose; Golam Moula; Ameerunisha Begum; Sabyasachi Sarkar","Dangling Thiyl Radical: Stabilized in [PPh4]2[(bdt)WVI(O)(μ-S)2CuI(SC6H4S.)]","Inorganic Chemistry","2011","50","","3852","3854","10.1021/ic200258u","","","0.71073","MoKα","","0.0595","0.0457","","","0.1132","0.1384","","","","","","1.091","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325012","9.864","0.005","18.786","0.005","25.7","0.005","90","0.005","91.07","0.005","90","0.005","4762","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 Cu O2 P2 S3 W -","- C54 H45 Cu O2 P2 S3 W -","- C216 H180 Cu4 O8 P8 S12 W4 -","4","1","","Moumita Bose; Golam Moula; Ameerunisha Begum; Sabyasachi Sarkar","Dangling Thiyl Radical: Stabilized in [PPh4]2[(bdt)WVI(O)(μ-S)2CuI(SC6H4S.)]","Inorganic Chemistry","2011","50","","3852","3854","10.1021/ic200258u","","","0.71073","MoKα","","0.0832","0.0607","","","0.1581","0.1773","","","","","","1.337","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325013","6.3908","0.0004","13.9355","0.0005","23.4274","0.0006","90","","90.623","0.005","90","","2086.3","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl S8 -","- C18 H16 Cl S8 -","- C72 H64 Cl4 S32 -","4","2","","Marc Fourmigué; Eric W. Reinheimer; Ali Assaf; Olivier Jeannin; Ali Saad; Pascale Auban-Senzier; Pere Alemany; Antonio Rodríguez-Fortea; Enric Canadell","Syntheses, Crystal Structures, Transport Properties and First-Principles Electronic Structure Study of the (tTTF)2X (X = Br, I) Low-Dimensional Antiferromagnets","Inorganic Chemistry","2011","50","","4171","4181","10.1021/ic2002964","","","0.71073","MoKα","","0.0497","0.034","","","0.0684","0.0742","","","","","","1.087","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325014","6.3441","0.0002","7.3344","0.0003","12.5028","0.0004","73.415","0.003","83.968","0.002","72.264","0.003","530.95","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Br S8 -","- C18 H16 Br S8 -","- C18 H16 Br S8 -","1","0.5","","Marc Fourmigué; Eric W. Reinheimer; Ali Assaf; Olivier Jeannin; Ali Saad; Pascale Auban-Senzier; Pere Alemany; Antonio Rodríguez-Fortea; Enric Canadell","Syntheses, Crystal Structures, Transport Properties and First-Principles Electronic Structure Study of the (tTTF)2X (X = Br, I) Low-Dimensional Antiferromagnets","Inorganic Chemistry","2011","50","","4171","4181","10.1021/ic2002964","","","0.71073","MoKα","","0.0324","0.0239","","","0.0521","0.0555","","","","","","1.081","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325015","6.3911","0.0003","7.3621","0.0004","12.7704","0.0006","73.978","0.003","85.998","0.004","72.096","0.003","549.49","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 I S8 -","- C18 H16 I S8 -","- C18 H16 I S8 -","1","0.5","","Marc Fourmigué; Eric W. Reinheimer; Ali Assaf; Olivier Jeannin; Ali Saad; Pascale Auban-Senzier; Pere Alemany; Antonio Rodríguez-Fortea; Enric Canadell","Syntheses, Crystal Structures, Transport Properties and First-Principles Electronic Structure Study of the (tTTF)2X (X = Br, I) Low-Dimensional Antiferromagnets","Inorganic Chemistry","2011","50","","4171","4181","10.1021/ic2002964","","","0.71073","MoKα","","0.0219","0.0191","","","0.0473","0.0494","","","","","","1.134","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325016","10.1943","0.0013","16.673","0.002","32.4719","0.0012","90","","90","","90","","5519.2","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H34 B9 Co O6 S2 -","- C19 H34 B9 Co O6 S2 -","- C152 H272 B72 Co8 O48 S16 -","8","1","","Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan","Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate","Inorganic Chemistry","2011","50","","4187","4194","10.1021/ic200333q","","","0.71073","MoKα","","0.0926","0.0614","","","0.1421","0.1511","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325017","13.098","0.003","16.643","0.004","18.05","0.004","90","","96.439","0.003","90","","3909.9","1.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H21 B10 Co O2 S2 -","- C11 H21 B10 Co O2 S2 -","- C88 H168 B80 Co8 O16 S16 -","8","2","","Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan","Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate","Inorganic Chemistry","2011","50","","4187","4194","10.1021/ic200333q","","","0.71073","MoKα","","0.066","0.0502","","","0.1108","0.114","","","","","","1.059","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325018","16.058","0.0017","13.4281","0.0015","33.516","0.004","90","","90","","90","","7227","1.4","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H82 B20 Cl2 Co2 O17 S4 -","- C47 H82 B20 Cl2 Co2 O17 S4 -","- C188 H328 B80 Cl8 Co8 O68 S16 -","4","0.5","","Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan","Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate","Inorganic Chemistry","2011","50","","4187","4194","10.1021/ic200333q","","","0.71073","MoKα","","0.0915","0.0583","","","0.13","0.1379","","","","","","1.035","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325019","11.0279","0.0011","11.9237","0.0011","12.4112","0.0012","83.147","0.001","69.05","0.001","67.769","0.001","1410.6","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H33 B10 Co O6 S2 -","- C19 H33 B10 Co O6 S2 -","- C38 H66 B20 Co2 O12 S4 -","2","1","","Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan","Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate","Inorganic Chemistry","2011","50","","4187","4194","10.1021/ic200333q","","","0.71073","MoKα","","0.0704","0.0489","","","0.1103","0.1173","","","","","","1.022","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325020","10.601","0.002","10.875","0.002","11.161","0.003","80.06","0.002","84.133","0.002","70.847","0.003","1195.8","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H27 B10 Co O4 S2 -","- C15 H27 B10 Co O4 S2 -","- C30 H54 B20 Co2 O8 S4 -","2","1","","Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan","Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate","Inorganic Chemistry","2011","50","","4187","4194","10.1021/ic200333q","","","0.71073","MoKα","","0.0838","0.0624","","","0.134","0.1389","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325021","20.301","0.002","14.401","0.004","21.577","0.002","90","","102.193","0.003","90","","6165.8","1.9","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H68 B20 Co2 O13 S4 -","- C38 H68 B20 Co2 O13 S4 -","- C152 H272 B80 Co8 O52 S16 -","4","1","","Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan","Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate","Inorganic Chemistry","2011","50","","4187","4194","10.1021/ic200333q","","","0.71073","MoKα","","0.0449","0.0384","","","0.0873","0.0893","","","","","","1.145","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325022","7.129","0.003","11.317","0.005","13.153","0.006","102.507","0.007","99.757","0.008","99.793","0.007","997.1","0.8","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Co F12 N8 O8 -","- C32 H36 Co F12 N8 O8 -","- C32 H36 Co F12 N8 O8 -","1","0.5","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0673","0.0519","","","0.1206","0.1266","","","","","","1.127","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325023","6.953","0.003","11.276","0.005","12.56","0.006","100.682","0.007","99.814","0.007","101.17","0.008","927.3","0.7","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cu F12 N8 O8 -","- C32 H36 Cu F12 N8 O8 -","- C32 H36 Cu F12 N8 O8 -","1","0.5","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0978","0.0824","","","0.1599","0.1646","","","","","","1.214","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325024","6.9848","0.0019","11.29","0.003","12.65","0.004","101.781","0.005","99.593","0.005","100.64","0.006","937.9","0.5","240","1","240","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cu F12 N8 O8 -","- C32 H36 Cu F12 N8 O8 -","- C32 H36 Cu F12 N8 O8 -","1","0.5","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0819","0.0659","","","0.1398","0.1468","","","","","","0.868","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325025","7.0992","0.0011","11.4445","0.0018","12.863","0.002","102.449","0.003","99.616","0.003","100.459","0.003","980.1","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cu F12 N8 O8 -","- C32 H36 Cu F12 N8 O8 -","- C32 H36 Cu F12 N8 O8 -","1","0.5","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0518","0.0409","","","0.1059","0.112","","","","","","0.955","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325026","7.0884","0.0013","11.475","0.002","12.945","0.002","102.958","0.004","99.504","0.004","100.302","0.004","986.2","0.3","305","1","305","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cu F12 N8 O8 -","- C32 H36 Cu F12 N8 O8 -","- C32 H36 Cu F12 N8 O8 -","1","0.5","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0566","0.0495","","","0.1306","0.1381","","","","","","1.05","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325027","10.108","0.004","19.783","0.005","15.093","0.005","90","","101.942","0.006","90","","2952.8","1.7","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","1","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.1624","0.0686","","","0.0995","0.1254","","","","","","0.923","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325028","7.4069","0.0008","12.1833","0.0013","16.2451","0.0018","95.048","0.002","96.084","0.002","95.565","0.002","1443.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 Cu F6 N4 O7 -","- C23 H31 Cu F6 N4 O7 -","- C46 H62 Cu2 F12 N8 O14 -","2","1","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0588","0.0466","","","0.1227","0.1295","","","","","","0.936","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325029","13.211","0.006","13.484","0.006","14.439","0.006","65.853","0.009","77.863","0.009","65.048","0.009","2125.8","1.6","293","1","293","1","","","","","","","","6","P -1","-P 1","2","","","","- C73 H96 Cu3 F12 N8 O16 -","- C73 H96 Cu3 F12 N8 O16 -","- C73 H96 Cu3 F12 N8 O16 -","1","0.5","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.1202","0.065","","","0.1295","0.1471","","","","","","0.939","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325030","9.2351","0.0011","10.8412","0.0013","12.0491","0.0015","92.302","0.002","112.182","0.002","92.859","0.002","1113.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H56 Cl4 Cu N8 O8 -","- C34 H56 Cl4 Cu N8 O8 -","- C34 H56 Cl4 Cu N8 O8 -","1","0.5","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0724","0.0508","","","0.1042","0.1135","","","","","","0.898","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325031","7.201","0.005","11.971","0.009","12.605","0.009","98.825","0.012","99.59","0.013","100.284","0.012","1035.2","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H60 Cu N8 O10 -","- C34 H60 Cu N8 O10 -","- C34 H60 Cu N8 O10 -","1","0.5","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0555","0.0464","","","0.1194","0.1245","","","","","","1.054","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325032","6.282","0.009","11.751","0.016","15.48","0.02","90","","90","","90","","1143","3","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N4 O -","- C11 H17 N4 O -","- C44 H68 N16 O4 -","4","1","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0743","0.0555","","","0.1196","0.1259","","","","","","0.947","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325033","7.129","0.002","11.486","0.003","13.172","0.004","101.487","0.006","100.017","0.006","100.319","0.006","1015","0.5","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 F12 Mn N8 O8 -","- C32 H36 F12 Mn N8 O8 -","- C32 H36 F12 Mn N8 O8 -","1","0.5","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.1352","0.0756","","","0.18","0.2055","","","","","","0.952","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325034","11.8641","0.0005","7.3579","0.0004","28.2754","0.0012","90","","101.193","0.002","90","","2421.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(1-[4-(1,4,7-triazacyclonon-1-yl)-para-xylyl]guanidine)copper(II) perchlorate","","","- C17 H35 Cl3 Cu N6 O2 -","- C17 H35 Cl3 Cu N6 O2 -","- C68 H140 Cl12 Cu4 N24 O8 -","4","1","","Linda Tjioe; Anja Meininger; Tanmaya Joshi; Leone Spiccia; Bim Graham","Efficient Plasmid DNA Cleavage by Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Featuring Xylyl-Linked Guanidinium Groups","Inorganic Chemistry","2011","50","","4327","4339","10.1021/ic102301n","","","0.71073","MoKα","","0.0341","0.0267","","","0.066","0.0692","","","","","","1.039","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325035","17.9182","0.0005","9.5518","0.0003","14.73","0.0004","90","","107.315","0.001","90","","2406.81","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(1-[4-(1,4,7-triazacyclonon-1-yl)-ortho-xylyl]guanidine)copper(II) perchlorate","","","- C18 H34 Cl3 Cu N7 O -","- C18 H34 Cl3 Cu N7 O -","- C72 H136 Cl12 Cu4 N28 O4 -","4","1","","Linda Tjioe; Anja Meininger; Tanmaya Joshi; Leone Spiccia; Bim Graham","Efficient Plasmid DNA Cleavage by Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Featuring Xylyl-Linked Guanidinium Groups","Inorganic Chemistry","2011","50","","4327","4339","10.1021/ic102301n","","","0.71073","MoKα","","0.0646","0.0489","","","0.0815","0.0878","","","","","","1.109","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325036","14.2587","0.001","14.2587","0.001","25.8368","0.0018","90","","90","","90","","5252.9","0.6","250","1","250","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H44 I Pt2 S8 -","- C24 H29.3333 I Pt2 S8 -","- C144 H176 I6 Pt12 S48 -","6","0.375","","Minoru Mitsumi; Takami Yamashita; Yuko Aiga; Koshiro Toriumi; Hiroshi Kitagawa; Tadaoki Mitani; Mohamedally Kurmoo","On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [PtII/III2(n-PenCS2)4I]\ιnfty","Inorganic Chemistry","2011","50","","4368","4377","10.1021/ic102461z","","","0.5633","synchrotron","","0.1007","0.0595","","","0.2456","0.2568","","","","","","1.151","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325037","14.2574","0.0014","14.2574","0.0014","25.8988","0.0018","90","","90","","90","","5264.5","0.8","270","1","270","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H44 I Pt2 S8 -","- C24 H29.3333 I Pt2 S8 -","- C144 H176 I6 Pt12 S48 -","6","0.375","","Minoru Mitsumi; Takami Yamashita; Yuko Aiga; Koshiro Toriumi; Hiroshi Kitagawa; Tadaoki Mitani; Mohamedally Kurmoo","On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [PtII/III2(n-PenCS2)4I]\ιnfty","Inorganic Chemistry","2011","50","","4368","4377","10.1021/ic102461z","","","0.5633","synchrotron","","0.11","0.0741","","","0.3309","0.3442","","","","","","1.114","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325038","13.6271","0.0015","13.6271","0.0015","8.6043","0.0013","90","","90","","90","","1597.8","0.3","350","1","350","1","","","","","","","","5","I 4/m","-I 4","87","","","","- C20 H36 I Pt2 S8 -","- C20 H36 I Pt2 S8 -","- C40 H72 I2 Pt4 S16 -","2","0.125","","Minoru Mitsumi; Takami Yamashita; Yuko Aiga; Koshiro Toriumi; Hiroshi Kitagawa; Tadaoki Mitani; Mohamedally Kurmoo","On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [PtII/III2(n-PenCS2)4I]\ιnfty","Inorganic Chemistry","2011","50","","4368","4377","10.1021/ic102461z","","","0.71069","MoKα","","0.0304","0.0244","","","0.055","0.0572","","","","","","1.1","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325039","8.3581","0.0007","8.4877","0.0004","11.1726","0.0007","101.287","0.005","91.684","0.005","93.778","0.005","774.85","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 B F2 N2 O3 -","- C18 H13 B F2 N2 O3 -","- C36 H26 B2 F4 N4 O6 -","2","1","","Sheri Madhu; Malakalapalli Rajeswara Rao; Mushtaque S. Shaikh; Mangalampalli Ravikanth","3,5-Diformylboron Dipyrromethenes as Fluorescent pH Sensors","Inorganic Chemistry","2011","50","","4392","4400","10.1021/ic102499h","","","0.71073","MoKα","","0.0532","0.0436","","","0.1184","0.1222","","","","","","0.974","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325040","16.636","0.006","8.529","0.003","18.603","0.006","90","","95.68","0.05","90","","2626.6","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15.55 H37 Cl3 Co3 Cu N3 O7.45 -","- C15.554 H37 Cl3 Co3 Cu N3 O7.446 -","- C62.216 H148 Cl12 Co12 Cu4 N12 O29.784 -","4","1","","Dmytro S. Nesterov; Volodymyr N. Kokozay; Julia Jezierska; Oleksiy V. Pavlyuk; Roman Boča; Armando J. L. Pombeiro","Heterometallic Cu/Co and Cu/Co/Zn Complexes Bearing Rare Asymmetric Tetranuclear Cores: Synthesis, Structures, and Magnetic and Catalytic Properties Toward the Peroxidative Oxidation of Cycloalkanes","Inorganic Chemistry","2011","50","","4401","4411","10.1021/ic102543m","","","1.5418","CuKα","","0.1187","0.0489","","","0.0518","0.0589","","","","","","0.948","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325041","16.588","0.006","8.499","0.003","18.705","0.006","90","","95.34","0.04","90","","2625.6","1.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C15.74 H37 Cl3 Co Cu N3 O7.26 Zn2 -","- C15.741 H37 Cl3 Co Cu N3 O7.259 Zn2 -","- C62.964 H148 Cl12 Co4 Cu4 N12 O29.036 Zn8 -","4","1","","Dmytro S. Nesterov; Volodymyr N. Kokozay; Julia Jezierska; Oleksiy V. Pavlyuk; Roman Boča; Armando J. L. Pombeiro","Heterometallic Cu/Co and Cu/Co/Zn Complexes Bearing Rare Asymmetric Tetranuclear Cores: Synthesis, Structures, and Magnetic and Catalytic Properties Toward the Peroxidative Oxidation of Cycloalkanes","Inorganic Chemistry","2011","50","","4401","4411","10.1021/ic102543m","","","1.5418","CuKα","","0.0869","0.0417","","","0.058","0.0628","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325042","10.2011","0.001","10.683","0.001","13.8613","0.0013","78.908","0.004","72.683","0.004","84.576","0.003","1414.1","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H40 Cl3 Co Cu N4 O7 Zn2 -","- C18 H40 Cl3 Co Cu N4 O7 Zn2 -","- C36 H80 Cl6 Co2 Cu2 N8 O14 Zn4 -","2","1","","Dmytro S. Nesterov; Volodymyr N. Kokozay; Julia Jezierska; Oleksiy V. Pavlyuk; Roman Boča; Armando J. L. Pombeiro","Heterometallic Cu/Co and Cu/Co/Zn Complexes Bearing Rare Asymmetric Tetranuclear Cores: Synthesis, Structures, and Magnetic and Catalytic Properties Toward the Peroxidative Oxidation of Cycloalkanes","Inorganic Chemistry","2011","50","","4401","4411","10.1021/ic102543m","","","0.71069","MoKα","","0.0452","0.034","","","0.0809","0.0871","","","","","","0.975","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325043","9.518","0.003","9.95","0.003","10.948","0.004","98.812","0.005","106.707","0.005","114.349","0.004","859.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 Cl Cr N4 O7 -","- C10 H26 Cl Cr N4 O7 -","- C20 H52 Cl2 Cr2 N8 O14 -","2","1","","Alexis D. Ostrowski; Ryan O. Absalonson; Malcolm A. De Leo; Guang Wu; James G. Pavlovich; Janet Adamson; Bilal Azhar; Alexei V. Iretskii; Ian L. Megson; Peter C. Ford","Photochemistry of trans-Cr(cyclam)(ONO)2+, a Nitric Oxide Precursor","Inorganic Chemistry","2011","50","","4453","4462","10.1021/ic200094x","","","0.71073","MoKα","","0.0727","0.0669","","","0.1949","0.201","","","","","","1.095","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325044","7.8967","0.0016","5.1388","0.001","16.711","0.003","90","","94.22","0.03","90","","676.3","0.2","200","0.2","200","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- In O8 Te2 V -","- In O8 Te2 V -","- In4 O32 Te8 V4 -","4","1","","Dong Woo Lee; Seung-Jin Oh; P. Shiv Halasyamani; Kang Min Ok","New Quaternary Tellurite and Selenite: Synthesis, Structure, and Characterization of Centrosymmetric InVTe2O8 and Noncentrosymmetric InVSe2O8","Inorganic Chemistry","2011","50","","4473","4480","10.1021/ic200135k","","","0.71073","MoKα","","0.0354","0.0286","","","0.068","0.1143","","","","","","1.304","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325045","4.6348","0.0009","6.9111","0.0014","10.507","0.002","90","","97.77","0.03","90","","333.47","0.12","200","0.2","200","0.2","","","","","","","","4","P 1 m 1","P -2y","6","","","","- In O8 Se2 V -","- In O8 Se2 V -","- In2 O16 Se4 V2 -","2","1","","Dong Woo Lee; Seung-Jin Oh; P. Shiv Halasyamani; Kang Min Ok","New Quaternary Tellurite and Selenite: Synthesis, Structure, and Characterization of Centrosymmetric InVTe2O8 and Noncentrosymmetric InVSe2O8","Inorganic Chemistry","2011","50","","4473","4480","10.1021/ic200135k","","","0.71073","MoKα","","0.0419","0.0343","","","0.0589","0.0632","","","","","","0.952","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325046","21.702","0.004","24.328","0.005","15.58","0.003","90","","90","","90","","8226","3","223","2","223","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C44 H79 B2 Br5 Cu6 N13 O1.5 S6 W2 -","- C44 H79 B2 Br5 Cu6 N13 O1.5 S6 W2 -","- C176 H316 B8 Br20 Cu24 N52 O6 S24 W8 -","4","0.5","","Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun","Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]","Inorganic Chemistry","2011","50","","4493","4502","10.1021/ic200147d","","","0.71073","MoKα","","0.0579","0.0489","","","0.1312","0.1376","","","","","","1.162","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325047","20.297","0.004","14.392","0.003","16.935","0.003","90","","107.63","0.03","90","","4714.6","1.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 B2 Cl4 N12 S6 W2 -","- C32 H48 B2 Cl4 N12 S6 W2 -","- C128 H192 B8 Cl16 N48 S24 W8 -","4","1","","Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun","Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]","Inorganic Chemistry","2011","50","","4493","4502","10.1021/ic200147d","","","0.71073","MoKα","","0.094","0.0659","","","0.1112","0.1219","","","","","","1.149","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325048","25.093","0.005","23.399","0.005","9.798","0.002","90","","90","","90","","5753","2","223","2","223","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C33 H49 B2 Cl7 Cu7 N13 S6 W2 -","- C33 H49 B2 Cl7 Cu7 N13 S6 W2 -","- C132 H196 B8 Cl28 Cu28 N52 S24 W8 -","4","0.5","","Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun","Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]","Inorganic Chemistry","2011","50","","4493","4502","10.1021/ic200147d","","","0.71073","MoKα","","0.0534","0.0473","","","0.1121","0.1161","","","","","","1.14","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325049","11.557","0.002","13.558","0.003","22.986","0.005","94.37","0.03","103.9","0.03","111.54","0.03","3197.7","1.5","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C35 H51 B2 Br4 Cl8 Cu6 N13 S6 W2 -","- C35 H50 B2 Br4 Cl8 Cu6 N13 S6 W2 -","- C70 H100 B4 Br8 Cl16 Cu12 N26 S12 W4 -","2","1","","Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun","Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]","Inorganic Chemistry","2011","50","","4493","4502","10.1021/ic200147d","","","0.71073","MoKα","","0.0682","0.0517","","","0.1152","0.1239","","","","","","1.023","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325050","10.737","0.002","11.346","0.002","13.669","0.003","65.96","0.03","69.89","0.03","79.8","0.03","1426.7","0.6","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H44 B2 Cu8 I6 N12 S6 W2 -","- C30 H44 B2 Cu8 I6 N12 S6 W2 -","- C30 H44 B2 Cu8 I6 N12 S6 W2 -","1","0.5","","Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun","Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]","Inorganic Chemistry","2011","50","","4493","4502","10.1021/ic200147d","","","0.71073","MoKα","","0.1383","0.1327","","","0.3363","0.3457","","","","","","1.183","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325051","21.152","0.004","24.156","0.005","15.478","0.003","90","","90","","90","","7908","3","223","2","223","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C42 H74 B2 Cl5 Cu6 N13 O S6 W2 -","- C42 H74 B2 Cl5 Cu6 N13 O S6 W2 -","- C168 H296 B8 Cl20 Cu24 N52 O4 S24 W8 -","4","0.5","","Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun","Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]","Inorganic Chemistry","2011","50","","4493","4502","10.1021/ic200147d","","","0.71073","MoKα","","0.0565","0.0503","","","0.1356","0.1399","","","","","","1.184","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325052","8.5221","0.0004","10.7421","0.0005","11.6515","0.0006","90","","90","","90","","1066.64","0.09","150","2","150","2","","","","","","","Ross Forgan","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0524","0.0405","","","0.0974","0.1018","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325053","9.4523","0.0006","9.6626","0.0005","25.5013","0.0015","90","","90","","90","","2329.1","0.2","150","2","150","2","","","","","","","Ross Forgan","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.1178","0.0763","","","0.1907","0.2149","","","","","","1.029","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325054","12.1513","0.0003","8.1802","0.0002","15.2351","0.0004","90","","106.752","0.002","90","","1450.1","0.06","150","2","150","2","","","","","","","Fiona McAllister","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0909","0.0521","","","0.1266","0.1391","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325055","5.9763","0.0002","7.3363","0.0003","13.4872","0.0005","80.545","0.002","80.03","0.002","86.569","0.002","574.19","0.04","150","2","150","2","","","","","","","Ross Forgan","4","P -1","-P 1","2","","","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C22 H28 N4 O8 -","2","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.056","0.0436","","","0.1228","0.1313","","","","","","1.071","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325056","13.5893","0.0006","13.6734","0.0006","25.0498","0.001","89.985","0.003","99.204","0.003","89.986","0.003","4594.6","0.3","150","2","150","2","","","","","","","Ross Forgan","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C176 H224 Cl16 N16 O32 -","16","","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0821","0.0701","","","0.1771","0.1824","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325057","13.8459","0.0004","13.9486","0.0004","24.8103","0.0007","90","","99.796","0.002","90","","4721.8","0.2","150","2","150","2","","","","","","","Ross Forgan","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C11 H14 Br N O2 -","- C11 H14 Br N O2 -","- C176 H224 Br16 N16 O32 -","16","","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0649","0.0445","","","0.0909","0.0956","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325058","9.6192","0.0004","10.6124","0.0004","11.8069","0.0005","90","","90","","90","","1205.28","0.08","150","2","150","2","","","","","","","Ross Forgan","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0456","0.0399","","","0.1044","0.1074","","","","","","1.137","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325059","12.5153","0.0008","8.0997","0.0005","14.0564","0.0008","90","","96.496","0.004","90","","1415.75","0.15","150","2","150","2","","","","","","","Ross Forgan","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0684","0.0474","","","0.109","0.113","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325060","7.0554","0.0006","13.7741","0.0013","8.313","0.0005","91.144","0.006","106.331","0.006","89.509","0.007","775.12","0.11","150","2","150","2","","","","","","","Ross Forgan","4","P -1","-P 1","2","","","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C30 H44 N4 O8 -","2","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0602","0.0505","","","0.1523","0.155","","","","","","1.102","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325061","13.2519","0.0004","3.9616","0.0001","14.4954","0.0005","90","","91.832","0.002","90","","760.6","0.04","293","2","293","2","","","","","","","Ross Forgan","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.043","0.0362","","","0.0813","0.0838","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325062","10.3884","0.0005","10.3905","0.0005","18.9956","0.0009","77.787","0.003","83.298","0.003","60.492","0.002","1743.86","0.15","150","2","150","2","","","","","","","Fiona McAllister","5","P -1","-P 1","2","","","","- C22 H28 Cu N2 O4 -","- C22 H28 Cu N2 O4 -","- C66 H84 Cu3 N6 O12 -","3","1.5","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0913","0.0569","","","0.1345","0.1455","","","","","","0.936","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4325063","18.6883","0.0002","18.6883","","13.3732","0.0002","90","","90","","90","","4670.62","0.09","150","2","150","2","","","","","","","Ross Forgan","5","P 42/n :2","-P 4bc","86","","","","- C24 H32 Cu N2 O4 -","- C24 H32 Cu N2 O4 -","- C192 H256 Cu8 N16 O32 -","8","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.1239","0.0511","","","0.1148","0.147","","","","","","1.062","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325064","31.7417","0.0014","8.3449","0.0004","16.3194","0.0007","90","","90.035","0.003","90","","4322.7","0.3","150","2","150","2","","","","","","","Fiona McAllister","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cu N2 O4 -","- C30 H44 Cu N2 O4 -","- C180 H264 Cu6 N12 O24 -","6","1.5","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0915","0.04","","","0.0953","0.1138","","","","","","1.042","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325065","8.7844","0.0004","13.1827","0.0007","14.3481","0.0008","79.25","0.004","77.374","0.004","82.427","0.004","1585.71","0.15","150","2","150","2","","","","","","","Ross Forgan","5","P -1","-P 1","2","","","","- C32 H36 Cu N6 O8 -","- C32 H36 Cu N6 O8 -","- C64 H72 Cu2 N12 O16 -","2","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.1064","0.08","","","0.1983","0.2093","","","","","","1.185","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325066","5.8093","0.0004","8.9279","0.0006","12.0867","0.0009","71.499","0.005","82.942","0.005","72.686","0.005","567.26","0.07","150","2","150","2","","","","","","","Ross Forgan","6","P -1","-P 1","2","","","","- C22 H26 Br2 Cu N2 O4 -","- C22 H26 Br2 Cu N2 O4 -","- C22 H26 Br2 Cu N2 O4 -","1","0.5","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0418","0.0342","","","0.0765","0.0787","","","","","","1.033","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325067","17.7657","0.0009","20.8218","0.0011","6.5914","0.0004","90","","96.641","0.003","90","","2421.9","0.2","150","2","150","2","","","","","","","Ross Forgan","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu N2 O6 -","- C24 H32 Cu N2 O6 -","- C96 H128 Cu4 N8 O24 -","4","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.086","0.0734","","","0.1438","0.1537","","","","","","1.221","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325068","16.3243","0.0017","10.3973","0.001","16.8989","0.0018","90","","107.513","0.002","90","","2735.3","0.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{hydrotris(3,5-dimethylpyrazol-1-yl)borato}oxobis(phenolato)tungsten(V)","","- C27 H32 B N6 O3 W -","- C27 H32 B N6 O3 W -","- C108 H128 B4 N24 O12 W4 -","4","1","","Stephen Sproules; Aston A. Eagle; Michelle K. Taylor; Robert W. Gable; Jonathan M. White; Charles G. Young","Paramagnetic Oxotungsten(V) Complexes Containing the Hydrotris(3,5-dimethylpyrazol-1-yl)borate Ligand","Inorganic Chemistry","2011","50","","4503","4514","10.1021/ic200161m","","","0.71073","MoKα","","0.0528","0.0358","","","0.0505","0.0537","","","","","","0.792","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325069","30.825","0.007","13.277","0.002","17.841","0.004","90","","106.996","0.018","90","","6983","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{hydrotris(3,5-dimethylpyrazol-1-yl)borato}bis(2-isopropylphenolato) oxotungsten(V)","","- C33 H44 B N6 O3 W -","- C33 H44 B N6 O3 W -","- C264 H352 B8 N48 O24 W8 -","8","1","","Stephen Sproules; Aston A. Eagle; Michelle K. Taylor; Robert W. Gable; Jonathan M. White; Charles G. Young","Paramagnetic Oxotungsten(V) Complexes Containing the Hydrotris(3,5-dimethylpyrazol-1-yl)borate Ligand","Inorganic Chemistry","2011","50","","4503","4514","10.1021/ic200161m","","","0.71073","MoKα","","0.0547","0.035","","","0.0824","0.0926","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325070","10.5168","0.0013","27.827","0.004","21.446","0.003","90","","102.883","0.003","90","","6118.2","1.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{hydrotris(3,5-dimethylpyrazol-1-yl)borato}oxobis(thiophenolato)tungsten(V)","","- C58 H72 B2 N12 O3 S4 W2 -","- C58 H72 B2 N12 O3 S4 W2 -","- C232 H288 B8 N48 O12 S16 W8 -","4","1","","Stephen Sproules; Aston A. Eagle; Michelle K. Taylor; Robert W. Gable; Jonathan M. White; Charles G. Young","Paramagnetic Oxotungsten(V) Complexes Containing the Hydrotris(3,5-dimethylpyrazol-1-yl)borate Ligand","Inorganic Chemistry","2011","50","","4503","4514","10.1021/ic200161m","","","0.71073","MoKα","","0.0868","0.0632","","","0.1298","0.1374","","","","","","1.069","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325071","13.0665","0.0011","14.5613","0.0012","14.5214","0.0012","90","","99.888","0.001","90","","2721.9","0.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(benzene-1,2-diselenolato){hydrotris(3,5-dimethylpyrazol-1-yl)- borato}oxotungsten(V)","","- C24 H33 B N6 O Se2 W -","- C21 H26 B N6 O Se2 W -","- C84 H104 B4 N24 O4 Se8 W4 -","4","1","","Stephen Sproules; Aston A. Eagle; Michelle K. Taylor; Robert W. Gable; Jonathan M. White; Charles G. Young","Paramagnetic Oxotungsten(V) Complexes Containing the Hydrotris(3,5-dimethylpyrazol-1-yl)borate Ligand","Inorganic Chemistry","2011","50","","4503","4514","10.1021/ic200161m","","","0.71073","MoKα","","0.0294","0.0261","","","0.0687","0.0699","","","","","","1.071","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325072","10.2568","0.0005","10.2568","0.0005","10.2568","0.0005","90","","90","","90","","1079.04","0.09","295","2","295","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ba6.18 Si46 -","- Ba6.176 Si46 -","- Ba6.176 Si46 -","1","0.0208333","","Ying Liang; Bodo Böhme; Marianne Reibold; Walter Schnelle; Ulrich Schwarz; Michael Baitinger; Hannes Lichte; Yuri Grin","Synthesis of the Clathrate-I Phase Ba8-xSi46 via Redox Reactions","Inorganic Chemistry","2011","50","","4523","4528","10.1021/ic2001859","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.06","","","","","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325073","10.2606","0.0005","10.2606","0.0005","10.2606","0.0005","90","","90","","90","","1080.24","0.09","295","2","295","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ba6.2 Si46 -","- Ba6.202 Si46 -","- Ba6.202 Si46 -","1","0.0208333","","Ying Liang; Bodo Böhme; Marianne Reibold; Walter Schnelle; Ulrich Schwarz; Michael Baitinger; Hannes Lichte; Yuri Grin","Synthesis of the Clathrate-I Phase Ba8-xSi46 via Redox Reactions","Inorganic Chemistry","2011","50","","4523","4528","10.1021/ic2001859","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0698","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325074","10.2701","0.0006","10.2701","0.0006","10.2701","0.0006","90","","90","","90","","1083.24","0.11","295","2","295","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ba6.31 Si46 -","- Ba6.306 Si46 -","- Ba6.306 Si46 -","1","0.0208333","","Ying Liang; Bodo Böhme; Marianne Reibold; Walter Schnelle; Ulrich Schwarz; Michael Baitinger; Hannes Lichte; Yuri Grin","Synthesis of the Clathrate-I Phase Ba8-xSi46 via Redox Reactions","Inorganic Chemistry","2011","50","","4523","4528","10.1021/ic2001859","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0524","","","","","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325075","10.2816","0.0006","10.2816","0.0006","10.2816","0.0006","90","","90","","90","","1086.88","0.11","295","2","295","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ba6.62 Si46 -","- Ba6.62 Si46 -","- Ba6.62 Si46 -","1","0.0208333","","Ying Liang; Bodo Böhme; Marianne Reibold; Walter Schnelle; Ulrich Schwarz; Michael Baitinger; Hannes Lichte; Yuri Grin","Synthesis of the Clathrate-I Phase Ba8-xSi46 via Redox Reactions","Inorganic Chemistry","2011","50","","4523","4528","10.1021/ic2001859","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.1217","","","","","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325076","13.5067","0.0005","21.2589","0.0006","12.1901","0.0004","90","","103.476","0.004","90","","3403.9","0.2","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H65.84 Br2.17 N10 Ni2 O6 P2 -","- C74 H65.8348 Br2.1652 N10 Ni2 O6 P2 -","- C148 H131.67 Br4.3304 N20 Ni4 O12 P4 -","2","0.5","","Dmitry Yakhvarov; Ekaterina Trofimova; Oleg Sinyashin; Olga Kataeva; Yulia Budnikova; Peter Lönnecke; Evamarie Hey-Hawkins; Andreas Petr; Yulia Krupskaya; Vladislav Kataev; Rüdiger Klingeler; Bernd Büchner","New Dinuclear Nickel(II) Complexes: Synthesis, Structure, Electrochemical, and Magnetic Properties","Inorganic Chemistry","2011","50","","4553","4558","10.1021/ic2002546","","","0.71073","MoKα","","0.0601","0.0305","","","0.0618","0.0646","","","","","","0.851","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325077","8.5586","0.0002","11.2437","0.0003","13.7659","0.0004","67.18","0.003","86.841","0.002","87.092","0.002","1218.53","0.06","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 Br2 N8 Ni2 O4 P2 -","- C52 H44 Br2 N8 Ni2 O4 P2 -","- C52 H44 Br2 N8 Ni2 O4 P2 -","1","0.5","","Dmitry Yakhvarov; Ekaterina Trofimova; Oleg Sinyashin; Olga Kataeva; Yulia Budnikova; Peter Lönnecke; Evamarie Hey-Hawkins; Andreas Petr; Yulia Krupskaya; Vladislav Kataev; Rüdiger Klingeler; Bernd Büchner","New Dinuclear Nickel(II) Complexes: Synthesis, Structure, Electrochemical, and Magnetic Properties","Inorganic Chemistry","2011","50","","4553","4558","10.1021/ic2002546","","","0.71073","MoKα","","0.0468","0.03","","","0.0696","0.0724","","","","","","0.951","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325078","11.908","0.001","15.051","0.001","16.906","0.001","90","","109.31","0.01","90","","2859.6","0.4","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Br2 N8 Ni2 O4 P2 -","- C58 H56 Br2 N8 Ni2 O4 P2 -","- C116 H112 Br4 N16 Ni4 O8 P4 -","2","0.5","","Dmitry Yakhvarov; Ekaterina Trofimova; Oleg Sinyashin; Olga Kataeva; Yulia Budnikova; Peter Lönnecke; Evamarie Hey-Hawkins; Andreas Petr; Yulia Krupskaya; Vladislav Kataev; Rüdiger Klingeler; Bernd Büchner","New Dinuclear Nickel(II) Complexes: Synthesis, Structure, Electrochemical, and Magnetic Properties","Inorganic Chemistry","2011","50","","4553","4558","10.1021/ic2002546","","","0.71073","MoKα","","0.0545","0.0305","","","0.0635","0.0713","","","","","","1.068","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325079","9.656","0.0006","14.0533","0.0009","4.3524","0.0003","90","","90","","90","","590.61","0.07","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ba2 Cu5.53 S Te4 -","- Ba2 Cu5.528 S Te4 -","- Ba4 Cu11.056 S2 Te8 -","2","0.25","","Oottil Mayasree; Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke","New Barium Copper Chalcogenides Synthesized Using Two Different Chalcogen Atoms: Ba2Cu6-xSTe4 and Ba2Cu6-xSeyTe5-y","Inorganic Chemistry","2011","50","","4580","4585","10.1021/ic2002628","","","0.71073","MoKα","","0.0263","0.0245","","","0.0583","0.0595","","","","","","1.112","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325080","9.638","0.0015","14.063","0.002","4.3714","0.0007","90","","90","","90","","592.5","0.16","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ba2 Cu5.43 Se1.92 Te3.08 -","- Ba2 Cu5.426 Se1.916 Te3.084 -","- Ba4 Cu10.852 Se3.832 Te6.168 -","2","0.25","","Oottil Mayasree; Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke","New Barium Copper Chalcogenides Synthesized Using Two Different Chalcogen Atoms: Ba2Cu6-xSTe4 and Ba2Cu6-xSeyTe5-y","Inorganic Chemistry","2011","50","","4580","4585","10.1021/ic2002628","","","0.71073","MoKα","","0.0335","0.0306","","","0.0653","0.0667","","","","","","1.632","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325081","9.7048","0.0006","14.1853","0.0009","4.384","0.0003","90","","90","","90","","603.53","0.07","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ba2 Cu5.64 Se1.1 Te3.9 -","- Ba2 Cu5.638 Se1.096 Te3.904 -","- Ba4 Cu11.276 Se2.192 Te7.808 -","2","0.25","","Oottil Mayasree; Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke","New Barium Copper Chalcogenides Synthesized Using Two Different Chalcogen Atoms: Ba2Cu6-xSTe4 and Ba2Cu6-xSeyTe5-y","Inorganic Chemistry","2011","50","","4580","4585","10.1021/ic2002628","","","0.71073","MoKα","","0.0212","0.0201","","","0.0429","0.044","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325082","9.7728","0.0009","14.3722","0.0013","4.4125","0.0004","90","","90","","90","","619.76","0.1","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ba2 Cu5.83 Se0.48 Te4.52 -","- Ba2 Cu5.826 Se0.479 Te4.521 -","- Ba4 Cu11.652 Se0.958 Te9.042 -","2","0.25","","Oottil Mayasree; Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke","New Barium Copper Chalcogenides Synthesized Using Two Different Chalcogen Atoms: Ba2Cu6-xSTe4 and Ba2Cu6-xSeyTe5-y","Inorganic Chemistry","2011","50","","4580","4585","10.1021/ic2002628","","","0.71073","MoKα","","0.0354","0.0323","","","0.0769","0.0785","","","","","","1.018","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325083","16.112","0.002","20.052","0.002","17.618","0.003","90","","91.81","0.006","90","","5689.1","1.3","91","2","91","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38.25 H48 F12 Fe2 N16 O13.75 S4 -","- C38.25 H48 F12 Fe2 N16 O13.75 S4 -","- C153 H192 F48 Fe8 N64 O55 S16 -","4","1","","Jonathan A. Kitchen; Nicholas G. White; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of Counteranion X on the Spin Crossover Properties of a Family of Diiron(II) Triazole Complexes [FeII2(PMAT)2](X)4","Inorganic Chemistry","2011","50","","4586","4597","10.1021/ic200308k","","","0.71073","MoKα","","0.1749","0.0944","","","0.2391","0.2981","","","","","","1.061","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325084","11.598","0.002","13.741","0.003","15.781","0.004","64.688","0.012","87.483","0.014","67.086","0.012","2071.3","0.8","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H50 Cl4 Fe2 N16 O3 -","- C34 H50 Cl4 Fe2 N16 O3 -","- C68 H100 Cl8 Fe4 N32 O6 -","2","1","","Jonathan A. Kitchen; Nicholas G. White; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of Counteranion X on the Spin Crossover Properties of a Family of Diiron(II) Triazole Complexes [FeII2(PMAT)2](X)4","Inorganic Chemistry","2011","50","","4586","4597","10.1021/ic200308k","","","0.71073","MoKα","","0.1477","0.063","","","0.1589","0.2251","","","","","","0.942","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325085","9.736","0.004","10.067","0.005","11.841","0.005","79.413","0.013","83.02","0.014","71.643","0.012","1080.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H50 Cl4 Fe2 N16 O3 -","- C34 H50 Cl4 Fe2 N16 O3 -","- C34 H50 Cl4 Fe2 N16 O3 -","1","0.5","","Jonathan A. Kitchen; Nicholas G. White; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of Counteranion X on the Spin Crossover Properties of a Family of Diiron(II) Triazole Complexes [FeII2(PMAT)2](X)4","Inorganic Chemistry","2011","50","","4586","4597","10.1021/ic200308k","","","0.71073","MoKα","","0.2523","0.077","","","0.1601","0.2206","","","","","","0.924","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325086","10.609","0.006","11.02","0.006","24.228","0.018","97.49","0.04","97.39","0.04","105.03","0.03","2673","3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C97.6 H179.2 Fe2 N16 O14 S4 -","- C97.6 H179.2 Fe2 N16 O14 S4 -","- C97.6 H179.2 Fe2 N16 O14 S4 -","1","0.5","","Jonathan A. Kitchen; Nicholas G. White; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of Counteranion X on the Spin Crossover Properties of a Family of Diiron(II) Triazole Complexes [FeII2(PMAT)2](X)4","Inorganic Chemistry","2011","50","","4586","4597","10.1021/ic200308k","","","0.71073","MoKα","","0.187","0.079","","","0.1896","0.2517","","","","","","0.985","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325087","30.333","0.003","30.333","0.002","22.053","0.002","90","","90","","120","","17572","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C78 H94 Al2 N4 O6 Si2 -","- C78 H94 Al2 N4 O6 Si2 -","- C702 H846 Al18 N36 O54 Si18 -","9","0.5","","Sandra González-Gallardo; Vojtech Jancik; Alma A. Delgado-Robles; Mónica Moya-Cabrera","Cyclic Alumosiloxanes and Alumosilicates: Exemplifying the Loewenstein Rule at the Molecular Level","Inorganic Chemistry","2011","50","","4226","4228","10.1021/ic200313k","","","0.71073","MoKα","","0.0768","0.0594","","","0.1496","0.1619","","","","","","1.069","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325088","12.535","0.002","25.266","0.003","21.606","0.003","90","","95.57","0.02","90","","6810.5","1.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H98 Al2 N4 O8.5 Si2 -","- C64.0012 H98.0024 Al2 N4 O8.5003 Si2 -","- C256.005 H392.01 Al8 N16 O34.0012 Si8 -","4","1","","Sandra González-Gallardo; Vojtech Jancik; Alma A. Delgado-Robles; Mónica Moya-Cabrera","Cyclic Alumosiloxanes and Alumosilicates: Exemplifying the Loewenstein Rule at the Molecular Level","Inorganic Chemistry","2011","50","","4226","4228","10.1021/ic200313k","","","0.71073","MoKα","","0.0865","0.0587","","","0.1259","0.1407","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325089","5.961","0.004","15.134","0.011","23.569","0.017","90","","90","","90","","2126","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","","I. Ravikumar; Pradyut Ghosh","Zinc(II) and PPi Selective Fluorescence OFF-ON-OFF Functionality of a Chemosensor in Physiological Conditions","Inorganic Chemistry","2011","50","","4229","4231","10.1021/ic200314t","","","0.71073","MoKα","","0.0406","0.0333","","","0.0704","0.0747","","","","","","1.033","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325090","15.69","0.003","13.955","0.003","21.083","0.005","90","","111.454","0.003","90","","4296.4","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H84 N18 O19 Zn3 -","- C78 H84 N18 O19 Zn3 -","- C156 H168 N36 O38 Zn6 -","2","1","","I. Ravikumar; Pradyut Ghosh","Zinc(II) and PPi Selective Fluorescence OFF-ON-OFF Functionality of a Chemosensor in Physiological Conditions","Inorganic Chemistry","2011","50","","4229","4231","10.1021/ic200314t","","","0.71073","MoKα","","0.0599","0.0408","","","0.0829","0.0911","","","","","","0.955","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325091","19.663","0.001","27.646","0.0011","15.285","0.0006","90","","90","","90","","8309","0.6","133","2","133","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H59 Cl3 N2 O2 Ti -","- C40 H59 Cl3 N2 O2 Ti -","- C320 H472 Cl24 N16 O16 Ti8 -","8","1","","Awal Noor; Winfried P. Kretschmer; Germund Glatz; Rhett Kempe","Highly Active Titanium-Based Olefin Polymerization Catalysts Bearing Bulky Aminopyridinato Ligands","Inorganic Chemistry","2011","50","","4598","4606","10.1021/ic200318h","","","0.71069","MoKα","","0.1001","0.0635","","","0.1617","0.1772","","","","","","1.046","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325092","11.034","0.001","20.361","0.001","20.407","0.001","90","","96.583","0.008","90","","4554.5","0.5","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65 Cl N2 O Ti -","- C50 H65 Cl N2 O Ti -","- C200 H260 Cl4 N8 O4 Ti4 -","4","1","","Awal Noor; Winfried P. Kretschmer; Germund Glatz; Rhett Kempe","Highly Active Titanium-Based Olefin Polymerization Catalysts Bearing Bulky Aminopyridinato Ligands","Inorganic Chemistry","2011","50","","4598","4606","10.1021/ic200318h","","","0.71069","MoKα","","0.1241","0.0808","","","0.1858","0.2002","","","","","","1.101","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325093","29.695","0.0006","12.939","0.0004","18.558","0.0005","90","","91.387","0.002","90","","7128.3","0.3","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H50 Cl3 N3 Ti -","- C34 H50 Cl3 N3 Ti -","- C272 H400 Cl24 N24 Ti8 -","8","2","","Awal Noor; Winfried P. Kretschmer; Germund Glatz; Rhett Kempe","Highly Active Titanium-Based Olefin Polymerization Catalysts Bearing Bulky Aminopyridinato Ligands","Inorganic Chemistry","2011","50","","4598","4606","10.1021/ic200318h","","","0.71069","MoKα","","0.0518","0.0328","","","0.0676","0.0702","","","","","","0.752","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325094","13.19","0.0012","12.114","0.001","16.475","0.0014","90","","92.589","0.007","90","","2629.7","0.4","191","2","191","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl3 N3 Ti -","- C25 H32 Cl3 N3 Ti -","- C100 H128 Cl12 N12 Ti4 -","4","1","","Awal Noor; Winfried P. Kretschmer; Germund Glatz; Rhett Kempe","Highly Active Titanium-Based Olefin Polymerization Catalysts Bearing Bulky Aminopyridinato Ligands","Inorganic Chemistry","2011","50","","4598","4606","10.1021/ic200318h","","","0.71069","MoKα","","0.1345","0.0624","","","0.1006","0.1167","","","","","","0.955","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325095","10.615","0.003","7.845","0.002","8.334","0.002","90","","109.757","0.007","90","","653.2","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 N2 O4 P -","- C2 H11 N2 O4 P -","- C8 H44 N8 O16 P4 -","4","1","","Laurent Jouffret; Murielle Rivenet; Francis Abraham","Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction with Ethylenediamine","Inorganic Chemistry","2011","50","","4619","4626","10.1021/ic200345j","","","0.71069","MoKα","","0.043","0.0353","","","0.053","0.0535","","","","4.31","4.31","3.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325096","5.5737","0.0001","5.642","0.0001","9.6856","0.0001","76.85","0.001","75.484","0.001","60.94","0.001","255.718","0.007","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C2 H10 N2 O8 P2 U -","- C2 H10 N2 O8 P2 U -","- C2 H10 N2 O8 P2 U -","1","0.5","","Laurent Jouffret; Murielle Rivenet; Francis Abraham","Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction with Ethylenediamine","Inorganic Chemistry","2011","50","","4619","4626","10.1021/ic200345j","","","0.71069","MoKα","","0.0142","0.0142","","","0.0141","0.0141","","","","1.53","1.53","1.53","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325097","9.796","0.003","5.562","0.002","10.198","0.005","90","","112.219","0.005","90","","514.4","0.4","473","","473","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C2 H10 N2 O8 P2 U -","- C2 N2 O8 P2 U -","- C4 N4 O16 P4 U2 -","2","0.25","","Laurent Jouffret; Murielle Rivenet; Francis Abraham","Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction with Ethylenediamine","Inorganic Chemistry","2011","50","","4619","4626","10.1021/ic200345j","","","0.71069","MoKα","","0.0467","0.0461","","","0.0469","0.047","","","","1.97","1.97","1.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325098","15.512","0.0006","13.7953","0.0005","13.0199","0.0004","90","","90","","90","","2786.16","0.17","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C4 H16 N2 O27 P4 U5 -","- C4 N2 O27 P4 U5 -","- C16 N8 O108 P16 U20 -","4","0.5","","Laurent Jouffret; Murielle Rivenet; Francis Abraham","Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction with Ethylenediamine","Inorganic Chemistry","2011","50","","4619","4626","10.1021/ic200345j","","","0.71069","MoKα","","0.0485","0.0368","","","0.0355","0.0374","","","","1.2","1.2","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325099","15.52","0.002","13.89","0.002","13.0769","0.0019","90","","90","","90","","2819","0.7","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H18 N2 O27 P4 U5 -","- C5 N2 O27 P4 U5 -","- C20 N8 O108 P16 U20 -","4","0.5","","Laurent Jouffret; Murielle Rivenet; Francis Abraham","Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction with Ethylenediamine","Inorganic Chemistry","2011","50","","4619","4626","10.1021/ic200345j","","","0.71069","MoKα","","0.0322","0.0267","","","0.0258","0.0263","","","","1.4","1.4","1.35","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325100","8.8","0.002","13.25","0.003","18.628","0.005","90","","95.13","0.002","90","","2163.3","0.9","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br3 Ce N6 -","- C12 H18 Br3 Ce N6 -","- C48 H72 Br12 Ce4 N24 -","4","1","","Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen","An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates","Inorganic Chemistry","2011","50","","4627","4631","10.1021/ic200353s","","","0.71073","MoKα","","0.0363","0.0276","","","0.0961","0.1053","","","","","","1.206","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325101","16.77","0.004","9.657","0.002","17.881","0.004","90","","115.304","0.002","90","","2617.9","1","140","1","140","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H23 Br3 Ce N5 -","- C25 H23 Br3 Ce N5 -","- C100 H92 Br12 Ce4 N20 -","4","1","","Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen","An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates","Inorganic Chemistry","2011","50","","4627","4631","10.1021/ic200353s","","","0.71073","MoKα","","0.0297","0.0257","","","0.0545","0.0567","","","","","","1.032","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325102","22.421","0.009","9.395","0.004","16.657","0.011","90","","131.149","0.003","90","","2642","2","140","1","140","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 Br3 Ce O4 -","- C20 H40 Br3 Ce O4 -","- C80 H160 Br12 Ce4 O16 -","4","0.5","","Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen","An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates","Inorganic Chemistry","2011","50","","4627","4631","10.1021/ic200353s","","","0.71073","MoKα","","0.0535","0.0359","","","0.1214","0.1411","","","","","","1.435","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325103","17.1142","0.0011","17.2768","0.0011","32.582","0.002","90","","90","","90","","9633.8","1.1","140","1","140","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 Ce N4 -","- C20 H20 Br3 Ce N4 -","- C320 H320 Br48 Ce16 N64 -","16","2","","Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen","An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates","Inorganic Chemistry","2011","50","","4627","4631","10.1021/ic200353s","","","0.71073","MoKα","","0.0628","0.033","","","0.0653","0.0762","","","","","","0.959","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325104","8.995","0.002","12.433","0.003","21.698","0.005","90","","90","","90","","2426.6","1","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Br3 La N7 -","- C14 H21 Br3 La N7 -","- C56 H84 Br12 La4 N28 -","4","1","","Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen","An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates","Inorganic Chemistry","2011","50","","4627","4631","10.1021/ic200353s","","","0.71073","MoKα","","0.0812","0.051","","","0.1086","0.1216","","","","","","1.119","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325105","12.286","0.002","13.379","0.003","14.819","0.005","109.687","0.012","96.526","0.012","109.584","0.009","2089.1","1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cu3 N9 O18 Tb -","- C36 H42 Cu3 N9 O18 Tb -","- C72 H84 Cu6 N18 O36 Tb2 -","2","1","","Humphrey L. C. Feltham; Rodolphe Clérac; Annie K. Powell; Sally Brooker","A Tetranuclear, Macrocyclic 3d-4f Complex Showing Single-Molecule Magnet Behavior","Inorganic Chemistry","2011","50","","4232","4234","10.1021/ic2003639","","","0.71073","MoKα","","0.1376","0.0798","","","0.1866","0.2134","","","","","","1.086","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325106","11.253","0.002","12.979","0.003","14.875","0.003","114.51","0.03","93.85","0.03","90.03","0.03","1971.3","0.8","140","1","140","1","","","","","","","","6","P -1","-P 1","2","apx979","","","- C34 H57 I2 N3 O3 U -","- C34 H57 I2 N3 O3 U -","- C68 H114 I4 N6 O6 U2 -","2","1","","Robert E. Jilek; Liam P. Spencer; David L. Kuiper; Brian L. Scott; Ursula J. Williams; James M. Kikkawa; Eric J. Schelter; James M. Boncella","A General and Modular Synthesis of Monoimidouranium(IV) Dihalides","Inorganic Chemistry","2011","50","","4235","4237","10.1021/ic200377b","","","0.71073","MoKα","","0.0679","0.0389","","","0.0738","0.0803","","","","","","0.884","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325107","16.386","0.004","15.896","0.004","17.234","0.004","90","","96.288","0.003","90","","4462","1.9","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H66 Cl4 N2 O4 U2 -","- C40 H66 Cl4 N2 O4 U2 -","- C160 H264 Cl16 N8 O16 U8 -","4","1","","Robert E. Jilek; Liam P. Spencer; David L. Kuiper; Brian L. Scott; Ursula J. Williams; James M. Kikkawa; Eric J. Schelter; James M. Boncella","A General and Modular Synthesis of Monoimidouranium(IV) Dihalides","Inorganic Chemistry","2011","50","","4235","4237","10.1021/ic200377b","","","0.71073","MoKα","","0.1033","0.0524","","","0.1143","0.1423","","","","","","0.955","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325108","12.083","0.003","16.326","0.005","16.352","0.005","90","","92.833","0.003","90","","3221.8","1.6","140","1","140","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","apx1077","","","- C28 H49 I2 N O4 U -","- C28 H49 I2 N O4 U -","- C112 H196 I8 N4 O16 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; David L. Kuiper; Brian L. Scott; Ursula J. Williams; James M. Kikkawa; Eric J. Schelter; James M. Boncella","A General and Modular Synthesis of Monoimidouranium(IV) Dihalides","Inorganic Chemistry","2011","50","","4235","4237","10.1021/ic200377b","","","0.71073","MoKα","","0.0624","0.048","","","0.1337","0.1523","","","","","","1.097","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325109","12.75","0.003","12.635","0.003","13.145","0.003","90","","104.092","0.002","90","","2053.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","apx1122","","","- C18 H29 Cl2 N O2 U -","- C18 H29 Cl2 N O2 U -","- C72 H116 Cl8 N4 O8 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; David L. Kuiper; Brian L. Scott; Ursula J. Williams; James M. Kikkawa; Eric J. Schelter; James M. Boncella","A General and Modular Synthesis of Monoimidouranium(IV) Dihalides","Inorganic Chemistry","2011","50","","4235","4237","10.1021/ic200377b","","","0.71073","MoKα","","0.0631","0.0413","","","0.1048","0.1177","","","","","","1.075","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325110","21.73","0.02","10.432","0.01","16.058","0.014","90","","119.33","0.05","90","","3174","5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Au2 F2 N4 -","- C34 H38 Au2 F2 N4 -","- C136 H152 Au8 F8 N16 -","4","0.5","","Doris Y. Melgarejo; Gina M. Chiarella; John P. Fackler; Lisa M. Perez; Alexandre Rodrigue-Witchel; Christian Reber","Synthesis and Structure of a Dinuclear Gold(II) Complex with Terminal Fluoride Ligands","Inorganic Chemistry","2011","50","","4238","4240","10.1021/ic200394q","","","0.71073","MoKα","","0.1813","0.0878","","","0.1494","0.1744","","","","","","0.989","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325111","8.5476","0.001","11.8256","0.0014","11.8508","0.0014","65.379","0.001","74.256","0.002","73.182","0.001","1026.6","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Au2 N6 O6 -","- C42 H48 Au2 N6 O6 -","- C42 H48 Au2 N6 O6 -","1","0.5","","Doris Y. Melgarejo; Gina M. Chiarella; John P. Fackler; Lisa M. Perez; Alexandre Rodrigue-Witchel; Christian Reber","Synthesis and Structure of a Dinuclear Gold(II) Complex with Terminal Fluoride Ligands","Inorganic Chemistry","2011","50","","4238","4240","10.1021/ic200394q","","","","","","","","","","","","","","","","","","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325112","20.818","0.0003","20.818","0.0003","20.818","0.0003","90","","90","","90","","9022.3","0.2","120","","120","","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Cl Co Hf I N3 P3 -","- C45 H51 Cl Co Hf I N3 P3 -","- C360 H408 Cl8 Co8 Hf8 I8 N24 P24 -","8","0.333333","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.0285","0.0232","","0.0609","0.0534","0.0609","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325113","12.0541","0.0003","12.0541","0.0003","19.7252","0.0007","90","","90","","120","","2482.11","0.12","120","","120","","","","","","","","","8","P -3","-P 3","147","","","","- C45 H75 Cl Co Hf I N3 P3 -","- C45 H75 Cl Co Hf I N3 P3 -","- C90 H150 Cl2 Co2 Hf2 I2 N6 P6 -","2","0.333333","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.0282","0.02","","0.0446","0.0431","0.0446","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325114","15.1818","0.0004","18.1649","0.0005","13.5297","0.0004","90","","90","","90","","3731.16","0.18","120","","120","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C27 H63 Cl Co Hf I N3 P3 -","- C27 H63 Cl Co Hf I N3 P3 -","- C108 H252 Cl4 Co4 Hf4 I4 N12 P12 -","4","0.5","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.055","0.0321","","0.0691","0.0624","0.0691","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325115","12.7902","0.0008","13.8837","0.0008","22.7745","0.0014","99.384","0.003","102.512","0.003","100.827","0.003","3789.3","0.4","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C138 H198 Cl2 Co2 Hf2 N10 Na2 O12 P6 -","- C138 H198 Cl2 Co2 Hf2 N10 Na2 O12 P6 -","- C138 H198 Cl2 Co2 Hf2 N10 Na2 O12 P6 -","1","0.5","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.0343","0.0287","","0.08","0.0724","0.08","","","","","","0.9981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325116","14.6354","0.0004","24.6754","0.0007","19.2156","0.0006","90","","90.2243","0.0016","90","","6939.4","0.3","120","","120","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C65 H115 Cl0.76 Co Hf I0.24 N5 Na O5 P3 -","- C65 H115 Cl0.756 Co Hf I0.244 N5 Na O5 P3 -","- C260 H460 Cl3.024 Co4 Hf4 I0.976 N20 Na4 O20 P12 -","4","1","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.0739","0.0398","","0.0797","0.0645","0.0797","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325117","27.9112","0.0011","15.4306","0.0006","26.3171","0.001","90","","90","","90","","11334.4","0.8","120","","120","","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C51 H90 Cl Co Hf I0.02 N4.97 O1.5 P3 -","- C51 H90 Cl Co Hf I0.0153 N4.9694 O1.5 P3 -","- C408 H720 Cl8 Co8 Hf8 I0.1224 N39.7552 O12 P24 -","8","1","","Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas","Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt","Inorganic Chemistry","2011","50","","4647","4655","10.1021/ic200445x","","","0.71073","MoKα","","0.0604","0.0318","","0.0661","0.0611","0.0661","","","","","","1.0005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325118","14.5304","0.0007","14.5304","0.0007","8.7463","0.0014","90","","90","","90","","1846.6","0.3","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H64 Cr2 Na4 O4 -","- C24 H64 Cr2 Na4 O4 -","- C48 H128 Cr4 Na8 O8 -","2","0.125","","Ross Campbell; Luca M. Carrella; William Clegg; Robert E. Mulvey; Eva Rentschler; Stuart D. Robertson; Luca Russo","Sodium Congener of the Classical Lithium Methylchromate Dimer: Synthetic, X-ray Crystallographic, and Magnetic Studies of Me8Cr2[Na(OEt2)]4","Inorganic Chemistry","2011","50","","4656","4659","10.1021/ic200471b","","","0.71073","MoKα","","0.0602","0.0394","","","0.1025","0.1091","","","","","","0.926","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325119","12.638","0.004","19.844","0.007","19.216","0.007","90","","96.517","0.006","90","","4788","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di(Lithium tetrahydrofuran) Manganese(II) tetrakis(bistert-butyl ketimide)","","- C44 H88 Li2 Mn N4 O2 -","- C44 H88 Li2 Mn N4 O2 -","- C176 H352 Li8 Mn4 N16 O8 -","4","1","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N=CtBu2)4","Inorganic Chemistry","2011","50","","4660","4668","10.1021/ic200490v","","","0.71073","MoKα","","0.0989","0.0649","","","0.157","0.1847","","","","","","1.173","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325120","16.7762","0.0012","15.2054","0.001","15.8446","0.0011","90","","90","","90","","4041.8","0.5","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Lithium Manganese(III) tetrakis(bistert-butyl ketimide)","","- C36 H72 Li Mn N4 -","- C36 H72 Li Mn N4 -","- C144 H288 Li4 Mn4 N16 -","4","0.5","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N=CtBu2)4","Inorganic Chemistry","2011","50","","4660","4668","10.1021/ic200490v","","","0.71073","MoKα","","0.1033","0.0641","","","0.1655","0.1999","","","","","","1.028","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325121","13.611","0.003","13.612","0.003","16.36","0.004","105.791","0.005","92.476","0.005","90.013","0.005","2913.7","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[Lithium di(1,4,7,10-tetraoxacyclododecane)] Manganese(III) tetrakis(bistert-butyl ketimide)","","- C52 H104 Li Mn N4 O8 -","- C52 H104 Li Mn N4 O8 -","- C104 H208 Li2 Mn2 N8 O16 -","2","1","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N=CtBu2)4","Inorganic Chemistry","2011","50","","4660","4668","10.1021/ic200490v","","","0.71073","MoKα","","0.1654","0.0678","","","0.141","0.1781","","","","","","0.93","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325122","11.356","0.006","11.738","0.006","16.586","0.01","70.2","0.02","89.51","0.02","73.21","0.019","1981.7","1.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Manganese (IV) tetrakis(bistert-butyl ketimide)","","- C36 H72 Mn N4 -","- C36 H63 Mn N4 -","- C72 H126 Mn2 N8 -","2","1","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N=CtBu2)4","Inorganic Chemistry","2011","50","","4660","4668","10.1021/ic200490v","","","0.71073","MoKα","","0.096","0.066","","","0.1731","0.1943","","","","","","1.01","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325123","32.201","0.004","11.2776","0.0015","22.819","0.003","90","","133.615","0.002","90","","5999.5","1.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","di(Manganese (II) ketimide) Manganese (II) tetrakis(bistert-butyl ketimide)","","- C54 H108 Mn3 N6 -","- C54 H108 Mn3 N6 -","- C216 H432 Mn12 N24 -","4","0.5","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N=CtBu2)4","Inorganic Chemistry","2011","50","","4660","4668","10.1021/ic200490v","","","0.71073","MoKα","","0.1423","0.0624","","","0.1262","0.1646","","","","","","1.01","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325124","14.885","0.0007","14.885","0.0007","11.032","0.0006","90","","90","","120","","2116.81","0.18","296","2","296","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Cs8 Ge9 H6 O36 U4 -","- Cs8 Ge9 H6 O36 U4 -","- Cs16 Ge18 H12 O72 U8 -","2","0.166667","","Quang Bac Nguyen; Hsin-Kuan Liu; Wen-Jung Chang; Kwang-Hwa Lii","Cs8UIV(UVIO2)3(Ge3O9)3.3H2O: A Mixed-Valence Uranium Germanate with 9-Ring Channels","Inorganic Chemistry","2011","50","","4241","4243","10.1021/ic200508v","","","0.71073","MoKα","","0.03","0.0249","","","0.0801","0.0824","","","","","","1.108","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325125","6.9924","0.0003","7.0456","0.0003","9.9252","0.0005","83.158","0.003","82.011","0.003","65.129","0.002","438.31","0.04","141","2","141","2","","","","","","","","4","P -1","-P 1","2","","","","- H6 N2 O11 Pu -","- N2 O11 Pu -","- N4 O22 Pu2 -","2","1","","Andrew J. Gaunt; Iain May; Mary P. Neu; Sean D. Reilly; Brian L. Scott","Structural and Spectroscopic Characterization of Plutonyl(VI) Nitrate under Acidic Conditions","Inorganic Chemistry","2011","50","","4244","4246","10.1021/ic200525u","","","0.71073","MoKα","","0.0384","0.0322","","","0.0814","0.087","","","","","","1.116","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325126","12.545","0.0006","13.9877","0.0007","22.8093","0.0011","90","","103.996","0.002","90","","3883.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H47 B N2 -","- C49 H47 B N2 -","- C196 H188 B4 N8 -","4","1","","Holger Braunschweig; Ching-Wen Chiu; Thomas Kupfer; Krzysztof Radacki","NHC-Stabilized 1-Hydro-1H-borole and Its Nondegenerate Sigmatropic Isomers","Inorganic Chemistry","2011","50","","4247","4249","10.1021/ic200533e","","","0.71073","MoKα","","0.0738","0.0511","","","0.1254","0.1402","","","","","","1.031","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325127","9.8006","0.0008","18.2005","0.0013","21.5781","0.0017","90","","95.482","0.004","90","","3831.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 B N2 -","- C49 H47 B N2 -","- C196 H188 B4 N8 -","4","1","","Holger Braunschweig; Ching-Wen Chiu; Thomas Kupfer; Krzysztof Radacki","NHC-Stabilized 1-Hydro-1H-borole and Its Nondegenerate Sigmatropic Isomers","Inorganic Chemistry","2011","50","","4247","4249","10.1021/ic200533e","","","0.71073","MoKα","","0.1029","0.0699","","","0.1316","0.1454","","","","","","1.171","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325128","30.525","0.003","13.4117","0.0012","18.4862","0.0016","90","","117.93","0.002","90","","6686.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 B Mn O3 -","- C36 H24 B Mn O3 -","- C288 H192 B8 Mn8 O24 -","8","1","","Holger Braunschweig; Alexander Damme; Daniela Gamon; Thomas Kupfer; Krzysztof Radacki","Synthesis and Coordination Chemistry of 1-Cymantrenyl-2,3,4,5-tetraphenylborole","Inorganic Chemistry","2011","50","","4250","4252","10.1021/ic200559d","","","0.71073","MoKα","","0.0499","0.0399","","","0.1086","0.1166","","","","","","1.083","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325129","13.1221","0.0006","15.7684","0.0007","18.738","0.0007","90","","90","","90","","3877.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H39 B Cl2 Mn N O3 -","- C46 H39 B Cl2 Mn N O3 -","- C184 H156 B4 Cl8 Mn4 N4 O12 -","4","1","","Holger Braunschweig; Alexander Damme; Daniela Gamon; Thomas Kupfer; Krzysztof Radacki","Synthesis and Coordination Chemistry of 1-Cymantrenyl-2,3,4,5-tetraphenylborole","Inorganic Chemistry","2011","50","","4250","4252","10.1021/ic200559d","","","0.71073","MoKα","","0.0313","0.0289","","","0.0761","0.0823","","","","","","1.105","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325130","12.8066","0.0008","16.5528","0.0011","19.1934","0.0013","90","","95.341","0.003","90","","4051","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 B Cl4 Mn N2 O3 -","- C45 H38 B Cl4 Mn N2 O3 -","- C180 H152 B4 Cl16 Mn4 N8 O12 -","4","1","","Holger Braunschweig; Alexander Damme; Daniela Gamon; Thomas Kupfer; Krzysztof Radacki","Synthesis and Coordination Chemistry of 1-Cymantrenyl-2,3,4,5-tetraphenylborole","Inorganic Chemistry","2011","50","","4250","4252","10.1021/ic200559d","","","0.71073","MoKα","","0.0611","0.0416","","","0.1364","0.173","","","","","","1.315","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325131","12.3555","0.0007","15.2816","0.0009","15.354","0.0009","90","","90","","90","","2899","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(Mes3P)Au(CO)][SbF6]","","","- C28 H33 Au F6 O P Sb -","- C28 H33 Au F6 O P Sb -","- C112 H132 Au4 F24 O4 P4 Sb4 -","4","1","","H. V. Rasika Dias; Chandrakanta Dash; Muhammed Yousufuddin; Mehmet Ali Celik; Gernot Frenking","Cationic Gold Carbonyl Complex on a Phosphine Support","Inorganic Chemistry","2011","50","","4253","4255","10.1021/ic200757j","","","0.71073","MoKα","","0.0319","0.0297","","","0.0757","0.0765","","","","","","1.036","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325132","12.5691","0.0002","13.1846","0.0002","18.6141","0.0004","86.411","0.003","83.31","0.003","78.752","0.003","3002.33","0.1","93.1","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 F12 N6 P2 Ru -","- C22 H30 F12 N6 P2 Ru -","- C88 H120 F48 N24 P8 Ru4 -","4","2","","Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao","Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm","Inorganic Chemistry","2011","50","","4713","4724","10.1021/ic101940f","","","0.7107","MoKα","","","0.0418","","","","0.101","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325133","13.113","0.003","10.716","0.002","15.505","0.003","90","","101.17","0.0008","90","","2137.5","0.8","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl2 F6 N4 O P Ru -","- C16 H21 Cl2 F6 N4 O P Ru -","- C64 H84 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao","Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm","Inorganic Chemistry","2011","50","","4713","4724","10.1021/ic101940f","","","0.7107","MoKα","","","0.0313","","","","0.0745","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325134","8.3476","0.0005","30.1065","0.0014","8.8442","0.0005","90","","110.582","0.0005","90","","2080.8","0.2","93.1","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl2 F6 N4 O P Ru -","- C16 H21 Cl2 F6 N4 O P Ru -","- C64 H84 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao","Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm","Inorganic Chemistry","2011","50","","4713","4724","10.1021/ic101940f","","","0.7107","MoKα","","","0.0611","","","","0.136","","","","","","1.231","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325135","7.9044","0.0001","10.8652","0.0002","14.2991","0.0002","82.366","0.006","77.342","0.006","79.744","0.006","1173.41","0.05","93.1","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H22.5 F6 N6.5 O7 P Ru -","- C17 H21 F6 N6.5 O7 P Ru -","- C34 H42 F12 N13 O14 P2 Ru2 -","2","1","","Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao","Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm","Inorganic Chemistry","2011","50","","4713","4724","10.1021/ic101940f","","","0.7107","MoKα","","","0.0306","","","","0.0773","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325136","7.5277","0.0002","17.5563","0.0005","17.0294","0.0009","90","","101.997","0.0007","90","","2201.43","0.14","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Cl F6 N4 O2 P Ru -","- C17 H24 Cl F6 N4 O2 P Ru -","- C68 H96 Cl4 F24 N16 O8 P4 Ru4 -","4","1","","Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao","Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm","Inorganic Chemistry","2011","50","","4713","4724","10.1021/ic101940f","","","0.7107","MoKα","","","0.0599","","","","0.1618","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325137","8.7574","0.0002","12.0307","0.0004","19.8994","0.0008","90","","98.6112","0.0005","90","","2072.92","0.12","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl F6 N4 O2 P Ru -","- C16 H21 Cl F6 N4 O2 P Ru -","- C64 H84 Cl4 F24 N16 O8 P4 Ru4 -","4","1","","Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao","Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm","Inorganic Chemistry","2011","50","","4713","4724","10.1021/ic101940f","","","0.7107","MoKα","","","0.0315","","","","0.0745","","","","","","1.147","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325138","8.632","0.002","12.109","0.003","17.443","0.005","90","","91.3161","0.0011","90","","1822.7","0.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N10 O Ru -","- C16 H20 N10 O Ru -","- C64 H80 N40 O4 Ru4 -","4","1","","Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao","Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm","Inorganic Chemistry","2011","50","","4713","4724","10.1021/ic101940f","","","0.7107","MoKα","","","0.0239","","","","0.0572","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325139","8.8374","0.0014","14.573","0.002","13.523","0.002","90","","95.4396","0.0005","90","","1733.7","0.4","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 N4 O Ru -","- C16 H20 Cl2 N4 O Ru -","- C64 H80 Cl8 N16 O4 Ru4 -","4","1","","Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao","Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm","Inorganic Chemistry","2011","50","","4713","4724","10.1021/ic101940f","","","0.7107","MoKα","","","0.0231","","","","0.0575","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325140","16.5501","0.001","10.9479","0.0009","15.9208","0.001","90","","95.958","0.005","90","","2869.1","0.3","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","tris(triethylphosphino)-copper-phenylthiolate","phenylsulfido-tris(triethylphosphine)-copper","","- C24 H50 Cu P3 S -","- C24 H50 Cu P3 S -","- C96 H200 Cu4 P12 S4 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0291","0.0275","","","0.0673","0.0697","","","","","","1.023","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325141","16.642","0.0015","10.9725","0.0007","16.0053","0.0013","90","","95.508","0.007","90","","2909.1","0.4","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","tris(triethylphosphino)-copper-phenylselenolate","phenylselenido-tris(triethylphosphine)-copper","","- C24 H50 Cu P3 Se -","- C24 H50 Cu P3 Se -","- C96 H200 Cu4 P12 Se4 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.048","0.0448","","","0.1173","0.1199","","","","","","1.036","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325142","8.9061","0.0009","33.255","0.003","9.9976","0.0011","90","","94.643","0.009","90","","2951.3","0.5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tris(triethylphosphino)-copper-phenyltellurolate","phenyltellurido-tris(triethylphosphine)-copper","","- C24 H50 Cu P3 Te -","- C24 H50 Cu P3 Te -","- C96 H200 Cu4 P12 Te4 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.1337","0.0908","","","0.2294","0.2546","","","","","","1.076","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325143","13.118","0.0008","13.8829","0.0009","23.449","0.0014","91.776","0.005","94.983","0.005","116.266","0.004","3803.5","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","pentakis(triethylphosphino)-hexakis(copper-phenylthiolate)","tris(μ~3~-phenylsulfido)-tris(μ~2~-phenylsulfido) -pentakis(triethylphosphine)-hexa-copper","","- C66 H105 Cu6 P5 S6 -","- C66 H105 Cu6 P5 S6 -","- C132 H210 Cu12 P10 S12 -","2","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0603","0.0407","","","0.0938","0.1003","","","","","","0.949","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325144","13.6847","0.0006","14.9342","0.0006","22.3746","0.001","92.005","0.003","103.197","0.003","114.376","0.003","4011.8","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","pentakis(triethylphosphino)-hexakis(copper-phenylselenolate)","pentakis(μ~3~-phenylselenido)-(μ~2~-phenylselenido)- pentakis(triethylphosphine)-hexa-copper pentane solvate","","- C68.5 H105 Cu6 P5 Se6 -","- C68.5 H105 Cu6 P5 Se6 -","- C137 H210 Cu12 P10 Se12 -","2","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","mokα","","0.0441","0.0321","","","0.0694","0.0729","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325145","21.6472","0.0006","15.5979","0.0005","24.1542","0.0007","90","","98.176","0.002","90","","8072.8","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pentakis(triethylphosphino)-hexakis(copper-phenyltellurolate)","pentakis(μ~3~-phenyltellurido)-(μ~2~-phenyltellurido) -pentakis(triethylphosphine)-hexa-copper","","- C66 H105 Cu6 P5 Te6 -","- C66 H105 Cu6 P5 Te6 -","- C264 H420 Cu24 P20 Te24 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0416","0.0306","","","0.073","0.0763","","","","","","0.985","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325146","14.0503","0.0007","13.4364","0.0004","26.9845","0.0013","90","","95.093","0.004","90","","5074.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tris(triisopropylphosphino-copper-phenylthiolate)","tris(μ~2~-phenylsulfido)-tris(triisopropylphosphine)-tri-copper","","- C45 H78 Cu3 P3 S3 -","- C45 H78 Cu3 P3 S3 -","- C180 H312 Cu12 P12 S12 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0462","0.0384","","","0.0971","0.1007","","","","","","1.043","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325147","14.8375","0.0007","15.7165","0.0009","18.4522","0.0008","90","","112.584","0.003","90","","3973","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrakis(triisopropylphosphino)-hexakis(copper-phenylthiolate)","tetrakis(μ~3~-phenylsulfido)-bis(μ~2~-phenylsulfido) -tetrakis(triisopropylphosphine)-hexa-copper","","- C72 H114 Cu6 P4 S6 -","- C72 H114 Cu6 P4 S6 -","- C144 H228 Cu12 P8 S12 -","2","0.5","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0454","0.0377","","","0.0835","0.0858","","","","","","1.12","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325148","14.9051","0.0007","16.5766","0.0009","18.5139","0.001","102.399","0.004","103.369","0.004","100.992","0.004","4205.3","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","tetrakis(triisopropylphosphino)-hexakis(copper-phenylselenolate)","tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido) -tetrakis(triisopropylphosphine)-hexa-copper","","- C72 H114 Cu6 P4 Se6 -","- C72 H114 Cu6 P4 Se6 -","- C144 H228 Cu12 P8 Se12 -","2","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0451","0.0296","","","0.0651","0.0703","","","","","","0.963","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325149","14.9225","0.0007","24.362","0.0011","27.1525","0.0012","71.435","0.003","88.298","0.004","71.704","0.004","8857.3","0.8","180","2","180","2","","","","","","","","5","P -1","-P 1","2","tetrakis(triisopropylphosphino)-hexakis(copper-phenylselenolate)","tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido) -tetrakis(triisopropylphosphine)-hexa-copper pentane solvate","","- C72 H114 Cu6 P4 Se6 -","- C76.995 H114 Cu6 P4 Se6 -","- C307.98 H456 Cu24 P16 Se24 -","4","2","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.1114","0.0473","","","0.0837","0.0984","","","","","","0.833","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325150","16.8095","0.0009","21.8464","0.0008","21.4504","0.001","90","","90.499","0.004","90","","7876.9","0.6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tris(triisopropylphosphino)-heptakis(copper-phenylselenolate)","pentakis(μ~3~-phenylselenido)-bis(μ~2~-phenylselenido) -tris(triisopropylphosphine)-hepta-copper","","- C69 H98 Cu7 P3 Se7 -","- C69 H98 Cu7 P3 Se7 -","- C276 H392 Cu28 P12 Se28 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0569","0.0312","","","0.0542","0.0589","","","","","","0.92","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325151","11.8041","0.0006","15.1305","0.0009","18.5031","0.0012","83.637","0.005","80.377","0.005","68.12","0.004","3019.2","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","tris(triisopropylphosphino)-tetrakis(copper-phenyltellurolate)","tris(μ~3~-phenyltellurido)-(μ~2~-phenyltellurido) -tris(triisopropylphosphine)-tetra-copper","","- C51 H83 Cu4 P3 Te4 -","- C51 H83 Cu4 P3 Te4 -","- C102 H166 Cu8 P6 Te8 -","2","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0399","0.031","","","0.0759","0.0786","","","","","","0.994","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325152","18.1425","0.0004","23.7058","0.0006","31.4413","0.0006","90","","90","","90","","13522.4","0.5","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","tris(tritertbutylphosphino)-tetrakis(copper-phenyltellurolate)","tris(μ~3~-phenyltellurido)-(μ~2~-phenyltellurido) -tris(tritertbutylphosphine)-tetra-copper and tetrakis(μ~3~-phenyltellurido)-tris(tritertbutylphosphine)-tetra-copper","","- C60 H101 Cu4 P3 Te4 -","- C60 H101 Cu4 P3 Te4 -","- C480 H808 Cu32 P24 Te32 -","8","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0507","0.0323","","","0.0783","0.0857","","","","","","0.971","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325153","13.0681","0.0007","25.049","0.0011","13.1012","0.0008","90","","113.356","0.004","90","","3937.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(tritertbutylphosphino-copper-phenylthiolate)","bis(μ~2~-phenylsulfido)-bis(tritertbutylphosphine)-di-copper","","- C36 H64 Cu2 P2 S2 -","- C36 H64 Cu2 P2 S2 -","- C144 H256 Cu8 P8 S8 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0312","0.0264","","","0.0683","0.0714","","","","","","1.037","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325154","10.8035","0.0005","16.1997","0.0008","22.5376","0.0008","90","","90","","90","","3944.4","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(tritertbutylphosphino-copper-phenylselenolate)","bis(μ~2~-phenylselenido)-bis(tritertbutylphosphine)-di-copper","","- C36 H64 Cu2 P2 Se2 -","- C36 H64 Cu2 P2 Se2 -","- C144 H256 Cu8 P8 Se8 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0489","0.0358","","","0.0643","0.0672","","","","","","0.95","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325155","10.8449","0.0006","10.906","0.0006","14.3336","0.0009","90","","102.679","0.005","90","","1653.96","0.17","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrakis(trimethylphosphino)-bis(copper-phenylthiolate)","bis(μ~2~-phenylsulfido)-tetrakis(trimethylphosphine)-di-copper","","- C24 H46 Cu2 P4 S2 -","- C24 H46 Cu2 P4 S2 -","- C48 H92 Cu4 P8 S4 -","2","0.5","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0301","0.0255","","","0.0667","0.0684","","","","","","1.049","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325156","17.0556","0.0009","13.6841","0.0008","14.0034","0.0007","90","","91.081","0.004","90","","3267.7","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetrakis(trimethylphosphino)-bis(copper-phenylselenolate)","bis(μ~2~-phenylselenido)-tetrakis(trimethylphosphine)-di-copper","","- C24 H46 Cu2 P4 Se2 -","- C24 H46 Cu2 P4 Se2 -","- C96 H184 Cu8 P16 Se8 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0452","0.025","","","0.0466","0.0504","","","","","","0.871","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325157","28.4226","0.001","13.5129","0.0005","25.2897","0.0009","90","","105.633","0.003","90","","9353.7","0.6","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","hexakis(trimethylphosphino)-deca(copper-phenylthiolate)","bis(μ~4~-phenylsulfido)-tetrakis(μ~3~-phenylsulfido) -tetrakis(μ~2~-phenylsulfido)-hexakis(trimethylphosphine)- deca-copper methanol solvate","","- C79 H107 Cu10 O P6 S10 -","- C79 H107 Cu10 O P6 S10 -","- C316 H428 Cu40 O4 P24 S40 -","4","0.5","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0379","0.0271","","","0.06","0.0629","","","","","","0.978","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325158","43.1908","0.0007","12.1729","0.0002","21.9408","0.0004","90","","102.241","0.002","90","","11273.3","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H58 Cl4 N6 O5.25 Ru2 -","- C53 H58 Cl4 N6 O5.25 Ru2 -","- C424 H464 Cl32 N48 O42 Ru16 -","8","1","","Tanaya Kundu; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Francisco A. Urbanos; Jan Fiedler; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri","Redox-Rich Spin-Spin-Coupled Semiquinoneruthenium Dimers with Intense Near-IR Absorption","Inorganic Chemistry","2011","50","","4753","4763","10.1021/ic102280q","","","0.71073","MoKα","","0.0934","0.0712","","","0.1738","0.181","","","","","","1.087","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325159","21.7112","0.001","21.7112","0.001","27.959","0.009","90","","90","","90","","13179","4","200","2","200","2","","","","","","","","8","I -4","I -4","82","","","","- C24.5 H27.25 F4.5 N6 O4.06 P0.5 Ru S1.5 -","- C24.5 H25 F4.5 N6 O4.0575 P0.5 Ru S1.5 -","- C392 H400 F72 N96 O64.92 P8 Ru16 S24 -","16","2","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties","Inorganic Chemistry","2011","50","","4764","4771","10.1021/ic102319p","","","0.71075","MoKα","","0.0529","0.0472","","","0.1228","0.1257","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325160","16.948","0.003","11.7427","0.0016","20.249","0.003","90","","114.88","0.003","90","","3655.9","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25.5 H32.25 N5.5 O8.13 Ru S -","- C25.5 H26 N5.5 O8 Ru S -","- C102 H104 N22 O32 Ru4 S4 -","4","2","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties","Inorganic Chemistry","2011","50","","4764","4771","10.1021/ic102319p","","","0.71075","MoKα","","0.1993","0.1089","","","0.2448","0.2864","","","","","","1.133","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325161","17.0154","0.0018","17.0154","0.0018","45.5","0.005","90","","90","","90","","13173","2","200","2","200","2","","","","","","","","9","I 4 2 2","I 4 2","97","","","","- C108 H139.52 F12 N20 Na O25.76 P2 Ru4 S4 -","- C108 H104 F12 N20 Na O25.75 P2 Ru4 S4 -","- C432 H416 F48 N80 Na4 O103 P8 Ru16 S16 -","4","0.25","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties","Inorganic Chemistry","2011","50","","4764","4771","10.1021/ic102319p","","","0.71075","MoKα","","0.0575","0.0562","","","0.1952","0.1962","","","","","","1.759","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4325162","15.238","0.004","18.731","0.004","10.125","0.002","90","","90","","90","","2889.9","1.1","200","2","200","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C26 H31 F3 N5.5 O7 P0.5 Ru S -","- C26 H29 F3 N5.5 O7 P0.5 Ru S -","- C104 H116 F12 N22 O28 P2 Ru4 S4 -","4","1","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties","Inorganic Chemistry","2011","50","","4764","4771","10.1021/ic102319p","","","0.71075","MoKα","","0.0365","0.0317","","","0.0774","0.0788","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325163","9.524","0.004","10.24","0.004","10.575","0.004","71.163","0.009","77.511","0.009","84.535","0.009","952.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N6 S12 -","- C30 H36 N6 S12 -","- C30 H36 N6 S12 -","1","0.5","","B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh","Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal-Organic Polymer","Inorganic Chemistry","2011","50","","4772","4780","10.1021/ic102363y","","","0.71073","MoKα","","0.0576","0.0427","","","0.0995","0.1054","","","","","","1.094","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325164","16.4061","0.0019","16.4061","0.0019","35.098","0.008","90","","90","","120","","8181","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C62 H75 Ag6 Cl13 N12 O28 S24 -","- C62 H74 Ag6 Cl13 N12 O30 S24 -","- C186 H222 Ag18 Cl39 N36 O90 S72 -","3","0.166667","","B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh","Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal-Organic Polymer","Inorganic Chemistry","2011","50","","4772","4780","10.1021/ic102363y","","","0.71073","MoKα","","0.1099","0.0644","","","0.1669","0.2","","","","","","1.034","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325165","26.8371","0.0017","26.8371","0.0017","11.2997","0.0008","90","","90","","120","","7048","0.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H72 Ag6 Cl6 N12 O24 S24 -","- C60 H72 Ag6 Cl6 N12 O24 S24 -","- C180 H216 Ag18 Cl18 N36 O72 S72 -","3","0.166667","","B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh","Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal-Organic Polymer","Inorganic Chemistry","2011","50","","4772","4780","10.1021/ic102363y","","","0.71073","MoKα","","0.0691","0.0464","","","0.109","0.1185","","","","","","1.035","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325166","16.423","0.003","9.4511","0.0014","20.27","0.003","90","","95.743","0.004","90","","3130.4","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Ag Cl N3 O4 S6 -","- C21 H25 Ag Cl N3 O4 S6 -","- C84 H100 Ag4 Cl4 N12 O16 S24 -","4","1","","B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh","Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal-Organic Polymer","Inorganic Chemistry","2011","50","","4772","4780","10.1021/ic102363y","","","0.71073","MoKα","","0.0822","0.0622","","","0.1721","0.1858","","","","","","1.082","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325167","13.179","0.0003","13.3794","0.0002","13.83","0.0003","72.3996","0.0016","70.3319","0.0017","62.2971","0.0019","2001.73","0.08","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H21 Br2 F6 N5 O P Re -","- C34 H21 Br2 F5.94 N5 O P0.99 Re -","- C68 H42 Br4 F11.88 N10 O2 P1.98 Re2 -","2","1","","Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu","Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes","Inorganic Chemistry","2011","50","","4798","4810","10.1021/ic102429t","","","1.54178","CuKα","","0.0295","0.0277","","","0.0712","0.0721","","","","","","1.053","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325168","13.1665","0.0002","18.3381","0.0003","16.5999","0.0003","90","","94.5741","0.0015","90","","3995.26","0.12","133","2","133","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 Br3 Cl3 F6 N5 O P Re -","- C35 H21 Br3 Cl3 F6 N5 O P Re -","- C140 H84 Br12 Cl12 F24 N20 O4 P4 Re4 -","4","1","","Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu","Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes","Inorganic Chemistry","2011","50","","4798","4810","10.1021/ic102429t","","","1.5418","CuKα","","0.038","0.0342","","","0.0917","0.0936","","","","","","1.023","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325169","12.6678","0.0006","17.9925","0.001","16.7007","0.0006","90","","94.874","0.004","90","","3792.7","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cl5 F6 N5 O P Re -","- C35 H22 Cl5 F6 N5 O P Re -","- C140 H88 Cl20 F24 N20 O4 P4 Re4 -","4","1","","Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu","Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes","Inorganic Chemistry","2011","50","","4798","4810","10.1021/ic102429t","","","0.71073","MoKα","","0.0645","0.0353","","","0.073","0.0778","","","","","","0.898","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325170","14.4834","0.0004","23.01","0.0007","14.6848","0.0007","90","","96.219","0.003","90","","4865.1","0.3","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl3 F6 N5 O P Re -","- C40 H36 Cl3 F6 N5 O P Re -","- C160 H144 Cl12 F24 N20 O4 P4 Re4 -","4","1","","Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu","Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes","Inorganic Chemistry","2011","50","","4798","4810","10.1021/ic102429t","","","1.5418","CuKα","","0.0568","0.0524","","","0.1463","0.1497","","","","","","1.055","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325171","24.7197","0.0006","19.1464","0.0005","15.339","0.0004","90","","91.439","0.002","90","","7257.6","0.3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H58 F12 N10 O8 P2 Re2 -","- C74 H58 F12 N10 O8 P2 Re2 -","- C296 H232 F48 N40 O32 P8 Re8 -","4","0.5","","Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu","Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes","Inorganic Chemistry","2011","50","","4798","4810","10.1021/ic102429t","","","1.5418","CuKα","","0.047","0.0432","","","0.1208","0.1235","","","","","","1.064","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325172","11.6902","0.0003","20.5384","0.0006","17.7957","0.0004","90","","97.044","0.003","90","","4240.46","0.19","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cl3 F6 N5 O P Re -","- C40 H36 Cl3 F6 N5 O P Re -","- C160 H144 Cl12 F24 N20 O4 P4 Re4 -","4","1","","Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu","Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes","Inorganic Chemistry","2011","50","","4798","4810","10.1021/ic102429t","","","1.5418","CuKα","","0.067","0.0541","","","0.1523","0.1599","","","","","","1.04","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325173","14.4508","0.0003","15.126","0.0004","18.0429","0.0005","86.884","0.002","78.297","0.002","75.048","0.002","3731.12","0.17","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H61 F12 N10 O3.5 P2 Re2 -","- C74 H46 F12 N10 O3.5 P2 Re2 -","- C148 H92 F24 N20 O7 P4 Re4 -","2","1","","Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu","Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes","Inorganic Chemistry","2011","50","","4798","4810","10.1021/ic102429t","","","1.5418","CuKα","","0.0903","0.071","","","0.1983","0.2118","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325174","10.8108","0.0003","14.2707","0.0004","15.7888","0.0004","87.798","0.002","76.286","0.002","71.859","0.002","2247.14","0.11","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H51 F3 N3 O6 Re S -","- C43 H51 F3 N3 O6 Re S -","- C86 H102 F6 N6 O12 Re2 S2 -","2","1","","Apple Wai-Yi Cheung; Larry Tso-Lun Lo; Chi-Chiu Ko; Shek-Man Yiu","Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes","Inorganic Chemistry","2011","50","","4798","4810","10.1021/ic102429t","","","1.5418","CuKα","","0.0196","0.0184","","","0.0457","0.0461","","","","","","1.074","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325175","8.5306","0.0017","13.623","0.003","14.265","0.003","90","","92.84","0.03","90","","1655.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 B2 N2 O2 S2 -","- C40 H28 B2 N2 O2 S2 -","- C80 H56 B4 N4 O4 S4 -","2","0.5","","Di Li; Yang Yuan; Hai Bi; Dandan Yao; Xingjia Zhao; Wenjing Tian; Yue Wang; Hongyu Zhang","Boron-Bridged π-Conjugated Ladders as Efficient Electron-Transporting Emitters","Inorganic Chemistry","2011","50","","4825","4831","10.1021/ic102554j","","","0.71073","MoKα","","0.1006","0.0568","","","0.1423","0.1632","","","","","","1.013","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325176","11.485","0.002","15.432","0.003","9.831","0.002","90","","98.21","0.03","90","","1724.6","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 B2 F2 N2 O2 S2 -","- C40 H26 B2 F2 N2 O2 S2 -","- C80 H52 B4 F4 N4 O4 S4 -","2","0.5","","Di Li; Yang Yuan; Hai Bi; Dandan Yao; Xingjia Zhao; Wenjing Tian; Yue Wang; Hongyu Zhang","Boron-Bridged π-Conjugated Ladders as Efficient Electron-Transporting Emitters","Inorganic Chemistry","2011","50","","4825","4831","10.1021/ic102554j","","","0.71073","MoKα","","0.0563","0.0411","","","0.102","0.1096","","","","","","1.04","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325177","9.5072","0.0019","9.7261","0.0019","10.865","0.002","105.12","0.03","109.66","0.03","97.57","0.03","886.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 B2 N2 O4 S2 -","- C42 H32 B2 N2 O4 S2 -","- C42 H32 B2 N2 O4 S2 -","1","0.5","","Di Li; Yang Yuan; Hai Bi; Dandan Yao; Xingjia Zhao; Wenjing Tian; Yue Wang; Hongyu Zhang","Boron-Bridged π-Conjugated Ladders as Efficient Electron-Transporting Emitters","Inorganic Chemistry","2011","50","","4825","4831","10.1021/ic102554j","","","0.71073","MoKα","","0.0501","0.0416","","","0.125","0.1312","","","","","","1.102","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325178","15.092","0.003","16.734","0.003","28.419","0.005","90","","90","","90","","7177","2","118","2","118","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H79 Cu5 Gd N14 O30 -","- C54 H65 Cu5 Gd N14 O29 -","- C216 H260 Cu20 Gd4 N56 O116 -","4","1","","Choong-Sun Lim; Joseph Jankolovits; Peng Zhao; Jeff W. Kampf; Vincent L. Pecoraro","Gd(III)[15-Metallacrown-5] Recognition of Chiral α-Amino Acid Analogues","Inorganic Chemistry","2011","50","","4832","4841","10.1021/ic102579t","","","0.71073","MoKα","","0.0627","0.0471","","","0.1065","0.1116","","","","","","1.058","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325179","14.887","0.002","16.78","0.003","28.611","0.004","90","","90","","90","","7147.1","1.9","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H79 Cu5 Gd N14 O30 -","- C54 H61 Cu5 Gd N14 O30 -","- C216 H244 Cu20 Gd4 N56 O120 -","4","1","","Choong-Sun Lim; Joseph Jankolovits; Peng Zhao; Jeff W. Kampf; Vincent L. Pecoraro","Gd(III)[15-Metallacrown-5] Recognition of Chiral α-Amino Acid Analogues","Inorganic Chemistry","2011","50","","4832","4841","10.1021/ic102579t","","","0.71073","MoKα","","0.0323","0.0297","","","0.075","0.0763","","","","","","1.083","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325180","15.028","0.004","14.959","0.004","20.254","0.006","90","","90","","90","","4553","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Uranyl Cerium bimetallic 1,2-Phenyldiphosphonate","","","- C12 H10 Ce O16 P4 U -","- C12 H10 Ce O16 P4 U -","- C96 H80 Ce8 O128 P32 U8 -","8","1","","Juan Diwu; Shuao Wang; Justin J. Good; Victoria H. DiStefano; Thomas E. Albrecht-Schmitt","Deviation Between the Chemistry of Ce(IV) and Pu(IV) and Routes to Ordered and Disordered Heterobimetallic 4f/5f and 5f/5f Phosphonates","Inorganic Chemistry","2011","50","","4842","4850","10.1021/ic200006m","","","0.71073","MoKα","","0.067","0.0377","","","0.0713","0.0809","","","","","","1.007","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325181","22.316","0.005","10.875","0.002","17.032","0.004","90","","103.06","0.003","90","","4026.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Uranium 1,2-Phenyldiphosphonate","","","- C18 H12 O32 P6 U4 -","- C18 H12 O32 P6 U4 -","- C72 H48 O128 P24 U16 -","4","1","","Juan Diwu; Shuao Wang; Justin J. Good; Victoria H. DiStefano; Thomas E. Albrecht-Schmitt","Deviation Between the Chemistry of Ce(IV) and Pu(IV) and Routes to Ordered and Disordered Heterobimetallic 4f/5f and 5f/5f Phosphonates","Inorganic Chemistry","2011","50","","4842","4850","10.1021/ic200006m","","","0.71073","MoKα","","0.0883","0.0448","","","0.0767","0.0902","","","","","","0.972","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325182","9.1781","0.0007","7.2095","0.0006","19.3227","0.0015","90","","92.073","0.001","90","","1277.74","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Uranium 1,2-Phenyldiphosphonate","","","- C6 H6 O10 P2 U -","- C6 H6 O10 P2 U -","- C24 H24 O40 P8 U4 -","4","1","","Juan Diwu; Shuao Wang; Justin J. Good; Victoria H. DiStefano; Thomas E. Albrecht-Schmitt","Deviation Between the Chemistry of Ce(IV) and Pu(IV) and Routes to Ordered and Disordered Heterobimetallic 4f/5f and 5f/5f Phosphonates","Inorganic Chemistry","2011","50","","4842","4850","10.1021/ic200006m","","","0.71073","MoKα","","0.0139","0.0126","","","0.0325","0.033","","","","","","1.071","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325183","9.1677","0.0018","7.2104","0.0015","19.298","0.004","90","","92.002","0.002","90","","1274.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Uranium Plutonium 1,2-Phenyldiphosphonate","","","- C6 H6 O10 P2 Pu0.1 U0.9 -","- C6 H6 O10 P2 Pu0.1 U0.9 -","- C24 H24 O40 P8 Pu0.4 U3.6 -","4","1","","Juan Diwu; Shuao Wang; Justin J. Good; Victoria H. DiStefano; Thomas E. Albrecht-Schmitt","Deviation Between the Chemistry of Ce(IV) and Pu(IV) and Routes to Ordered and Disordered Heterobimetallic 4f/5f and 5f/5f Phosphonates","Inorganic Chemistry","2011","50","","4842","4850","10.1021/ic200006m","","","0.71073","MoKα","","0.0162","0.0138","","","0.0315","0.0324","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325184","16.189","0.002","7.8","0.0011","12.1137","0.0018","90","","108.276","0.002","90","","1452.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Plutonium 1,2-Phenyldiphosphonate","","","- C6 H4 O12 P2 Pu -","- C6 H4 O12 P2 Pu -","- C24 H16 O48 P8 Pu4 -","4","1","","Juan Diwu; Shuao Wang; Justin J. Good; Victoria H. DiStefano; Thomas E. Albrecht-Schmitt","Deviation Between the Chemistry of Ce(IV) and Pu(IV) and Routes to Ordered and Disordered Heterobimetallic 4f/5f and 5f/5f Phosphonates","Inorganic Chemistry","2011","50","","4842","4850","10.1021/ic200006m","","","0.71073","MoKα","","0.0533","0.0399","","","0.0956","0.1018","","","","","","1.055","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325185","7.931","0.003","9.961","0.003","12.952","0.004","99.711","0.004","95.693","0.004","102.967","0.003","972.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Uranium 1,2-Phenyldiphosphonate","","","- C12 H8 O13.5 P4 U -","- C12 H8 O13.53 P4 U -","- C24 H16 O27.06 P8 U2 -","2","1","","Juan Diwu; Shuao Wang; Justin J. Good; Victoria H. DiStefano; Thomas E. Albrecht-Schmitt","Deviation Between the Chemistry of Ce(IV) and Pu(IV) and Routes to Ordered and Disordered Heterobimetallic 4f/5f and 5f/5f Phosphonates","Inorganic Chemistry","2011","50","","4842","4850","10.1021/ic200006m","","","0.71073","MoKα","","0.0684","0.0426","","","0.0927","0.1025","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325186","7.0975","0.0005","15.9586","0.0006","26.1751","0.0018","90","","90.979","0.003","90","","2964.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N4 O -","- C40 H30 N4 O -","- C160 H120 N16 O4 -","4","1","","Gaël Zucchi; Vajjiravel Murugesan; Denis Tondelier; Dmitry Aldakov; Taewoo Jeon; Feng Yang; Pierre Thuéry; Michel Ephritikhine; Bernard Geffroy","Solution, Solid State, and Film Properties of a Structurally Characterized Highly Luminescent Molecular Europium Plastic Material Excitable with Visible Light","Inorganic Chemistry","2011","50","","4851","4856","10.1021/ic2000415","","","0.71073","MoKα","","0.086","0.0574","","","0.1516","0.165","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325187","13.491","0.0006","13.8452","0.0006","16.6331","0.0007","104.79","0.002","95.483","0.002","98.576","0.003","2941.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H40 Eu F9 N4 O6 S3 -","- C62.5 H40 Eu F9 N4 O6 S3 -","- C125 H80 Eu2 F18 N8 O12 S6 -","2","1","","Gaël Zucchi; Vajjiravel Murugesan; Denis Tondelier; Dmitry Aldakov; Taewoo Jeon; Feng Yang; Pierre Thuéry; Michel Ephritikhine; Bernard Geffroy","Solution, Solid State, and Film Properties of a Structurally Characterized Highly Luminescent Molecular Europium Plastic Material Excitable with Visible Light","Inorganic Chemistry","2011","50","","4851","4856","10.1021/ic2000415","","","0.71073","MoKα","","0.0491","0.0419","","","0.1147","0.119","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325188","37.109","0.004","15.343","0.0014","9.8617","0.0009","90","","99.711","0.004","90","","5534.4","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H51 Gd N6 O15 -","- C57 H45 Gd N6 O15 -","- C228 H180 Gd4 N24 O60 -","4","0.5","","Sarika Sivakumar; M. L. P. Reddy; Alan H. Cowley; Rachel R. Butorac","Lanthanide-Based Coordination Polymers Assembled from Derivatives of 3,5-Dihydroxy Benzoates: Syntheses, Crystal Structures, and Photophysical Properties","Inorganic Chemistry","2011","50","","4882","4891","10.1021/ic2001249","","","0.71075","MoKα","","0.0918","0.0721","","","0.1807","0.1915","","","","","","1.259","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325189","36.52","0.03","15.555","0.014","9.887","0.009","90","","102.96","0.03","90","","5473","8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H53 N6 O16 S0 Tb -","- C57 H45 N6 O16 Tb -","- C228 H180 N24 O64 Tb4 -","4","0.5","","Sarika Sivakumar; M. L. P. Reddy; Alan H. Cowley; Rachel R. Butorac","Lanthanide-Based Coordination Polymers Assembled from Derivatives of 3,5-Dihydroxy Benzoates: Syntheses, Crystal Structures, and Photophysical Properties","Inorganic Chemistry","2011","50","","4882","4891","10.1021/ic2001249","","","0.71075","MoKα","","0.105","0.0991","","","0.2457","0.2518","","","","","","1.139","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325190","36.843","0.003","15.348","0.009","9.89","0.006","90","","101.133","0.009","90","","5487","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H50 Eu N6 O14.5 S0 -","- C57 H45 Eu N6 O14.5 -","- C228 H180 Eu4 N24 O58 -","4","0.5","","Sarika Sivakumar; M. L. P. Reddy; Alan H. Cowley; Rachel R. Butorac","Lanthanide-Based Coordination Polymers Assembled from Derivatives of 3,5-Dihydroxy Benzoates: Syntheses, Crystal Structures, and Photophysical Properties","Inorganic Chemistry","2011","50","","4882","4891","10.1021/ic2001249","","","0.71069","MoKα","","0.1072","0.1022","","","0.2479","0.2515","","","","","","1.715","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325191","6.98","0.002","7.349","0.003","18.123","0.006","95.908","0.007","95.323","0.006","90.022","0.009","920.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H7 La4 Mo9.5 O46 Se4 -","- H4 La4 Mo9.5 O46 Se4 -","- H4 La4 Mo9.5 O46 Se4 -","1","0.5","","Su-Yun Zhang; Jiang-Gao Mao","Syntheses, Crystal Structures, Magnetic and Luminescent Properties of two Classes of Molybdenum(VI) Rich Quaternary Lanthanide Selenites","Inorganic Chemistry","2011","50","","4934","4943","10.1021/ic200149y","","","0.71073","MoKα","","0.0406","0.0313","","","0.0675","0.0699","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325192","6.8535","0.0014","7.2488","0.0011","14.206","0.004","90","","100.473","0.016","90","","694","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Eu2 H2 Mo3 O17 Se2 -","- Eu2 H2 Mo3 O17 Se2 -","- Eu4 H4 Mo6 O34 Se4 -","2","0.5","","Su-Yun Zhang; Jiang-Gao Mao","Syntheses, Crystal Structures, Magnetic and Luminescent Properties of two Classes of Molybdenum(VI) Rich Quaternary Lanthanide Selenites","Inorganic Chemistry","2011","50","","4934","4943","10.1021/ic200149y","","","0.71073","MoKα","","0.046","0.04","","","0.0821","0.0857","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325193","6.7806","0.0009","7.1875","0.0006","14.1304","0.0017","90","","100.318","0.007","90","","677.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Dy2 H2 Mo3 O17 Se2 -","- Dy2 H2 Mo3 O17 Se2 -","- Dy4 H4 Mo6 O34 Se4 -","2","0.5","","Su-Yun Zhang; Jiang-Gao Mao","Syntheses, Crystal Structures, Magnetic and Luminescent Properties of two Classes of Molybdenum(VI) Rich Quaternary Lanthanide Selenites","Inorganic Chemistry","2011","50","","4934","4943","10.1021/ic200149y","","","0.71073","MoKα","","0.028","0.024","","","0.0551","0.0565","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325194","6.7465","0.0014","7.1715","0.0014","14.082","0.004","90","","100.246","0.014","90","","670.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Er2 H2 Mo3 O17 Se2 -","- Er2 H2 Mo3 O17 Se2 -","- Er4 H4 Mo6 O34 Se4 -","2","0.5","","Su-Yun Zhang; Jiang-Gao Mao","Syntheses, Crystal Structures, Magnetic and Luminescent Properties of two Classes of Molybdenum(VI) Rich Quaternary Lanthanide Selenites","Inorganic Chemistry","2011","50","","4934","4943","10.1021/ic200149y","","","0.71073","MoKα","","0.0827","0.0654","","","0.1315","0.1437","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325195","12.8335","0.0003","15.7343","0.0003","23.1443","0.0004","99.304","0.002","98.206","0.002","92.871","0.002","4551.91","0.16","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C Cl Cs2.5 Dy3 Na4 O97.5 Si2 W18 -","- C Cl Cs2.5 Dy3 Na4 O97.5 Si2 W18 -","- C2 Cl2 Cs5 Dy6 Na8 O195 Si4 W36 -","2","1","","Lubin Ni; Firasat Hussain; Bernhard Spingler; Stephen Weyeneth; Greta R. Patzke","Lanthanoid-Containing Open Wells-Dawson Silicotungstates: Synthesis, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","4944","4955","10.1021/ic2001943","","","0.71073","MoKα","","0.0705","0.0401","","","0.0837","0.0884","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325196","26.1719","0.0004","20.7408","0.0004","39.362","0.0008","90","","94.021","0.002","90","","21314.1","0.7","183","2","183","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- Ca Cl Cs0.5 Gd4 Na2 O111.5 Si2 W18 -","- Ca Cl Cs0.5 Gd4 Na2 O111.5 Si2 W18 -","- Ca8 Cl8 Cs4 Gd32 Na16 O892 Si16 W144 -","8","1","","Lubin Ni; Firasat Hussain; Bernhard Spingler; Stephen Weyeneth; Greta R. Patzke","Lanthanoid-Containing Open Wells-Dawson Silicotungstates: Synthesis, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","4944","4955","10.1021/ic2001943","","","0.71073","MoKα","","0.0966","0.049","","","0.0914","0.0982","","","","","","0.885","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325197","12.8242","0.0001","15.7895","0.0002","23.2486","0.0003","99.591","0.001","97.904","0.001","91.547","0.001","4591.65","0.09","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C2 Cs3.4 Gd3 Na2.5 O99 Si2 W18 -","- C2 Cs3.4 Gd3 Na2.5 O99 Si2 W18 -","- C4 Cs6.8 Gd6 Na5 O198 Si4 W36 -","2","1","","Lubin Ni; Firasat Hussain; Bernhard Spingler; Stephen Weyeneth; Greta R. Patzke","Lanthanoid-Containing Open Wells-Dawson Silicotungstates: Synthesis, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","4944","4955","10.1021/ic2001943","","","0.71073","MoKα","","0.0677","0.0384","","","0.0911","0.0958","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325198","12.9422","0.0012","15.6464","0.0008","23.0735","0.0012","99.062","0.004","98.117","0.006","93.777","0.006","4549.2","0.5","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- Cs2.35 Ho3 Na4.65 O94.35 Si2 W18 -","- Cs2.35 Ho3 Na4.65 O94.35 Si2 W18 -","- Cs4.7 Ho6 Na9.3 O188.7 Si4 W36 -","2","1","","Lubin Ni; Firasat Hussain; Bernhard Spingler; Stephen Weyeneth; Greta R. Patzke","Lanthanoid-Containing Open Wells-Dawson Silicotungstates: Synthesis, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","4944","4955","10.1021/ic2001943","","","0.71073","MoKα","","0.1015","0.0515","","","0.1075","0.1154","","","","","","0.916","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325199","12.9462","0.0002","15.7702","0.0002","23.1831","0.0003","99.135","0.001","98.002","0.001","93.389","0.001","4611.63","0.11","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- Cs3 Na2 O102 Si2 Tb3 W18 -","- Cs3 Na2 O102 Si2 Tb3 W18 -","- Cs6 Na4 O204 Si4 Tb6 W36 -","2","1","","Lubin Ni; Firasat Hussain; Bernhard Spingler; Stephen Weyeneth; Greta R. Patzke","Lanthanoid-Containing Open Wells-Dawson Silicotungstates: Synthesis, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","4944","4955","10.1021/ic2001943","","","0.71073","MoKα","","0.0545","0.0414","","","0.0986","0.1019","","","","","","1.065","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325200","3.9047","0.0002","3.9047","0.0002","36","0.003","90","","90","","90","","548.88","0.06","293","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe9 O22.5 Pb9 -","- Fe9 O22.5 Pb9 -","- Fe9 O22.5 Pb9 -","1","0.03125","","Dmitry Batuk; Joke Hadermann; Artem Abakumov; Thomas Vranken; An Hardy; Marlies Van Bael; Gustaaf Van Tendeloo","Layered Perovskite-Like Pb2Fe2O5 Structure as a Parent Matrix for the Nucleation and Growth of Crystallographic Shear Planes","Inorganic Chemistry","2011","50","","4978","4986","10.1021/ic200211x","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325201","11.3857","0.0001","19.2169","0.0002","19.5817","0.0002","83.461","0.001","80.452","0.001","73.809","0.001","4047.15","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","[Zn2(4,4'-bipy)(Mes)4]","","- C46 H52 N2 Zn2 -","- C46 H52 N2 Zn2 -","- C184 H208 N8 Zn8 -","4","2","","Mark Irwin; Tobias Krämer; John E. McGrady; Jose M. Goicoechea","On the Structural and Electronic Properties of [Zn2(4,4'-bipyridine)(mes)4]n- (n= 0-2), a Homologous Series of Bimetallic Complexes Bridged by Neutral, Anionic, and Dianionic 4,4'-Bipyridine","Inorganic Chemistry","2011","50","","5006","5014","10.1021/ic200241d","","","0.71073","MoKα","","0.0551","0.0388","","","0.0962","0.1045","","","","","","1.017","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325202","19.7748","0.0003","20.6378","0.0003","21.136","0.0003","118.439","0.001","109.127","0.001","98.547","0.001","6666.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[K(18-crown-6)THF2][Zn2(4,4'-bipy)(Mes)4]","","- C66 H92 K N2 O8 Zn2 -","- C66 H92 K N2 O8 Zn2 -","- C264 H368 K4 N8 O32 Zn8 -","4","2","","Mark Irwin; Tobias Krämer; John E. McGrady; Jose M. Goicoechea","On the Structural and Electronic Properties of [Zn2(4,4'-bipyridine)(mes)4]n- (n= 0-2), a Homologous Series of Bimetallic Complexes Bridged by Neutral, Anionic, and Dianionic 4,4'-Bipyridine","Inorganic Chemistry","2011","50","","5006","5014","10.1021/ic200241d","","","0.71073","MoKα","","0.0704","0.0478","","","0.1241","0.1361","","","","","","1.051","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325203","20.6965","0.0001","20.8215","0.0001","27.0298","0.0001","76.111","0.001","81.897","0.001","61.729","0.001","9953.61","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[K(18-crown-6)THF2][Zn2(4,4'-bipy)(Mes)4]","","- C66 H92 K N2 O8 Zn2 -","- C66 H92 K N2 O8 Zn2 -","- C396 H552 K6 N12 O48 Zn12 -","6","3","","Mark Irwin; Tobias Krämer; John E. McGrady; Jose M. Goicoechea","On the Structural and Electronic Properties of [Zn2(4,4'-bipyridine)(mes)4]n- (n= 0-2), a Homologous Series of Bimetallic Complexes Bridged by Neutral, Anionic, and Dianionic 4,4'-Bipyridine","Inorganic Chemistry","2011","50","","5006","5014","10.1021/ic200241d","","","0.71073","MoKα","","0.0708","0.0471","","","0.1166","0.1309","","","","","","1.034","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325204","11.7304","0.0002","13.8528","0.0002","22.4989","0.0004","90","","92.474","0.001","90","","3652.64","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[K(18-crown-6)]2[Zn2(4,4'-bipy)(Mes)4]","","- C70 H100 K2 N2 O12 Zn2 -","- C70 H100 K2 N2 O12 Zn2 -","- C140 H200 K4 N4 O24 Zn4 -","2","0.5","","Mark Irwin; Tobias Krämer; John E. McGrady; Jose M. Goicoechea","On the Structural and Electronic Properties of [Zn2(4,4'-bipyridine)(mes)4]n- (n= 0-2), a Homologous Series of Bimetallic Complexes Bridged by Neutral, Anionic, and Dianionic 4,4'-Bipyridine","Inorganic Chemistry","2011","50","","5006","5014","10.1021/ic200241d","","","0.71073","MoKα","","0.0785","0.0454","","","0.0998","0.1125","","","","","","1.012","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325205","33.6475","0.0002","10.7686","0.0001","24.2059","0.0001","90","","90","","90","","8770.68","0.1","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[K(18-crown-6)THF][Zn(Mes)3]","","- C43 H65 K O7 Zn -","- C43 H65 K O7 Zn -","- C344 H520 K8 O56 Zn8 -","8","1","","Mark Irwin; Tobias Krämer; John E. McGrady; Jose M. Goicoechea","On the Structural and Electronic Properties of [Zn2(4,4'-bipyridine)(mes)4]n- (n= 0-2), a Homologous Series of Bimetallic Complexes Bridged by Neutral, Anionic, and Dianionic 4,4'-Bipyridine","Inorganic Chemistry","2011","50","","5006","5014","10.1021/ic200241d","","","0.71073","MoKα","","0.0645","0.0407","","","0.1037","0.1137","","","","","","1.039","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325206","10.311","0.002","34.159","0.007","10.437","0.002","90","","91.713","0.002","90","","3674.4","1.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 Fe2 N2 O7 P2 S3 -","- C26 H45 Fe2 N2 O7 P2 S3 -","- C104 H180 Fe8 N8 O28 P8 S12 -","4","1","","Michael L. Singleton; Danielle J. Crouthers; Robert P. Duttweiler; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Sulfonated Diiron Complexes as Water-Soluble Models of the [Fe-Fe]-Hydrogenase Enzyme Active Site","Inorganic Chemistry","2011","50","","5015","5026","10.1021/ic200272x","","","0.71073","MoKα","","0.0568","0.0436","","","0.1068","0.1128","","","","","","1.061","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325207","14.046","0.014","33.262","0.015","16.28","0.03","90","","90","","90","","7606","16","213","2","213","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C29 H47 Cl10 Fe2 N2 O11 P S3 -","- C24 H37 Fe2 N2 O11 P S3 -","- C96 H148 Fe8 N8 O44 P4 S12 -","4","1","","Michael L. Singleton; Danielle J. Crouthers; Robert P. Duttweiler; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Sulfonated Diiron Complexes as Water-Soluble Models of the [Fe-Fe]-Hydrogenase Enzyme Active Site","Inorganic Chemistry","2011","50","","5015","5026","10.1021/ic200272x","","","0.71073","MoKα","","0.1654","0.0742","","","0.1233","0.1507","","","","","","1.003","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325208","10.1101","0.0018","11.2927","0.0019","18.607","0.003","102.336","0.006","93.946","0.006","90.895","0.006","2069.4","0.6","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H43 Fe2 N2 O8 P S3 -","- C39 H43 Fe2 N2 O8 P S3 -","- C78 H86 Fe4 N4 O16 P2 S6 -","2","1","","Michael L. Singleton; Danielle J. Crouthers; Robert P. Duttweiler; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Sulfonated Diiron Complexes as Water-Soluble Models of the [Fe-Fe]-Hydrogenase Enzyme Active Site","Inorganic Chemistry","2011","50","","5015","5026","10.1021/ic200272x","","","1.54178","CuKα","","0.0895","0.0516","","","0.1012","0.1108","","","","","","1.026","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325209","14.968","0.002","7.6777","0.0011","30.718","0.004","90","","99.042","0.007","90","","3486.2","0.8","110","2","110","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C27 H40 Fe2 N5 O8 P S3 -","- C27 H40 Fe2 N5 O8 P S3 -","- C108 H160 Fe8 N20 O32 P4 S12 -","4","1","","Michael L. Singleton; Danielle J. Crouthers; Robert P. Duttweiler; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Sulfonated Diiron Complexes as Water-Soluble Models of the [Fe-Fe]-Hydrogenase Enzyme Active Site","Inorganic Chemistry","2011","50","","5015","5026","10.1021/ic200272x","","","1.54178","CuKα","","0.1517","0.0796","","","0.1522","0.1805","","","","","","1.045","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325210","6.4151","0.0009","12.6371","0.0009","15.6834","0.0016","96.703","0.002","95.498","0.009","98.239","0.01","1241.5","0.2","163","2","163","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Fe2 N Na O11 S3 -","- C18 H18 Fe2 N Na O11 S3 -","- C36 H36 Fe4 N2 Na2 O22 S6 -","2","1","","Michael L. Singleton; Danielle J. Crouthers; Robert P. Duttweiler; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Sulfonated Diiron Complexes as Water-Soluble Models of the [Fe-Fe]-Hydrogenase Enzyme Active Site","Inorganic Chemistry","2011","50","","5015","5026","10.1021/ic200272x","","","1.54178","CuKα","","0.102","0.084","","","0.232","0.2545","","","","","","1.05","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325211","8.847","0.0014","34.141","0.005","19.096","0.003","90","","100.555","0.004","90","","5670.3","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H62 Cl2 Mn2 N4 O9 Si2 -","- C53 H62 Cl2 Mn2 N4 O9 Si2 -","- C212 H248 Cl8 Mn8 N16 O36 Si8 -","4","1","","Ramachandran Azhakar; Sankaranarayana Pillai Sarish; Herbert W. Roesky; Jakob Hey; Dietmar Stalke","Syntheses of Group 7 Metal Carbonyl Complexes with a Stable N-Heterocyclic Chlorosilylene","Inorganic Chemistry","2011","50","","5039","5043","10.1021/ic2003035","","","0.71073","MoKα","","0.0582","0.0367","","","0.0747","0.0838","","","","","","1.022","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325212","12.447","0.0004","37.801","0.0013","14.4401","0.0005","90","","90.456","0.001","90","","6794","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H77 Cl3 N6 O8 Re2 Si3 -","- C60 H77 Cl3 N6 O8 Re2 Si3 -","- C240 H308 Cl12 N24 O32 Re8 Si12 -","4","1","","Ramachandran Azhakar; Sankaranarayana Pillai Sarish; Herbert W. Roesky; Jakob Hey; Dietmar Stalke","Syntheses of Group 7 Metal Carbonyl Complexes with a Stable N-Heterocyclic Chlorosilylene","Inorganic Chemistry","2011","50","","5039","5043","10.1021/ic2003035","","","0.71073","MoKα","","0.0536","0.0484","","","0.1074","0.1093","","","","","","1.299","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325213","18.249","0.003","18.249","0.003","72.569","0.015","90","","90","","120","","20930","7","99","2","99","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H7 Cu N O4 -","- C15 H7 Cu N O4 -","- C540 H252 Cu36 N36 O144 -","36","1","","Xinfang Liu; Minhak Oh; Myoung Soo Lah","Size- and Shape-Selective Isostructural Microporous Metal-Organic Frameworks with Different Effective Aperture Sizes","Inorganic Chemistry","2011","50","","5044","5053","10.1021/ic200328q","","","0.75","synchrotron","","0.0875","0.073","","","0.1922","0.2013","","","","","","1.053","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4325214","18.218","0.003","18.218","0.003","72.761","0.015","90","","90","","120","","20914","7","99","2","99","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H7 Cu N O4 -","- C15 H7 Cu N O4 -","- C540 H252 Cu36 N36 O144 -","36","1","","Xinfang Liu; Minhak Oh; Myoung Soo Lah","Size- and Shape-Selective Isostructural Microporous Metal-Organic Frameworks with Different Effective Aperture Sizes","Inorganic Chemistry","2011","50","","5044","5053","10.1021/ic200328q","","","0.75","synchrotron","","0.0802","0.0524","","","0.1279","0.1412","","","","","","1.074","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4325215","18.628","0.003","18.628","0.003","36.435","0.007","90","","90","","120","","10949","3","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C15 H7 N O4 Zn -","- C15 H5 N O4 Zn -","- C270 H90 N18 O72 Zn18 -","18","0.5","","Xinfang Liu; Minhak Oh; Myoung Soo Lah","Size- and Shape-Selective Isostructural Microporous Metal-Organic Frameworks with Different Effective Aperture Sizes","Inorganic Chemistry","2011","50","","5044","5053","10.1021/ic200328q","","","0.75","synchrotron","","0.0734","0.0628","","","0.1849","0.1924","","","","","","1.128","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4325216","18.667","0.003","18.667","0.003","36.398","0.007","90","","90","","120","","10984","3","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C15 H7 N O4 Zn -","- C15 H5 N O4 Zn -","- C270 H90 N18 O72 Zn18 -","18","0.5","","Xinfang Liu; Minhak Oh; Myoung Soo Lah","Size- and Shape-Selective Isostructural Microporous Metal-Organic Frameworks with Different Effective Aperture Sizes","Inorganic Chemistry","2011","50","","5044","5053","10.1021/ic200328q","","","0.71073","MoKα","","0.0672","0.0581","","","0.2239","0.235","","","","","","1.088","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325217","11.4071","0.0001","18.0922","0.0002","19.2627","0.0003","77.4891","0.0004","80.8945","0.0004","79.3408","0.0007","3785.01","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H104 Cu4 F48 N18 O22 -","- C124 H104 Cu4 F48 N18 O22 -","- C124 H104 Cu4 F48 N18 O22 -","1","0.5","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.0953","0.0753","","","0.2102","0.2284","","","","","","1.034","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325218","9.6557","0.0002","16.0424","0.0003","19.6212","0.0004","76.6264","0.0006","81.6717","0.0006","82.552","0.0009","2911.11","0.1","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cu2 F24 N6 O10 -","- C48 H36 Cu2 F24 N6 O10 -","- C96 H72 Cu4 F48 N12 O20 -","2","1","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.1111","0.0793","","","0.1932","0.214","","","","","","1.026","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325219","9.5184","0.0001","15.8656","0.0002","19.4793","0.0003","76.6884","0.0005","81.6336","0.0005","82.0372","0.0007","2815.27","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cu2 F24 N6 O10 -","- C48 H36 Cu2 F24 N6 O10 -","- C96 H72 Cu4 F48 N12 O20 -","2","1","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.0899","0.0667","","","0.1579","0.1732","","","","","","1.015","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325220","9.4423","0.0001","15.7864","0.0002","19.4298","0.0004","76.6127","0.0006","81.7446","0.0006","81.6369","0.0008","2769.31","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cu2 F24 N6 O10 -","- C48 H36 Cu2 F24 N6 O10 -","- C96 H72 Cu4 F48 N12 O20 -","2","1","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.0702","0.0522","","","0.1234","0.1336","","","","","","1.029","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325221","32.9455","0.0004","11.4448","0.0002","23.316","0.0003","90","","119.746","0.0007","90","","7633","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H38 Cu3 F36 N6 O14 -","- C58 H38 Cu3 F36 N6 O14 -","- C232 H152 Cu12 F144 N24 O56 -","4","0.5","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.1074","0.0869","","","0.2362","0.259","","","","","","1.028","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325222","15.1227","0.0002","12.0542","0.0001","20.8771","0.0003","90","","93.1804","0.0005","90","","3799.87","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H38 Cu3 F36 N6 O14 -","- C58 H38 Cu3 F36 N6 O14 -","- C116 H76 Cu6 F72 N12 O28 -","2","0.5","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.0751","0.0562","","","0.1474","0.1665","","","","","","1.03","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325223","14.9104","0.0002","11.6878","0.0001","20.5148","0.0002","90","","92.6405","0.0005","90","","3571.31","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H38 Cu3 F36 N6 O14 -","- C58 H38 Cu3 F36 N6 O14 -","- C116 H76 Cu6 F72 N12 O28 -","2","0.5","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.0561","0.0499","","","0.139","0.1422","","","","","","1.144","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325224","19.6467","0.0013","17.4396","0.0012","22.7491","0.0016","90","","90","","90","","7794.5","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H38 Cu3 F36 N6 O14 -","- C58 H38 Cu3 F36 N6 O14 -","- C232 H152 Cu12 F144 N24 O56 -","4","0.5","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.1314","0.0718","","","0.1972","0.2465","","","","","","1.021","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325225","16.545","0.003","22.703","0.003","19.72","0.003","90","","94.231","0.002","90","","7387","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H38 Cu3 F36 N6 O14 -","- C58 H38 Cu3 F36 N6 O14 -","- C232 H152 Cu12 F144 N24 O56 -","4","1","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.106","0.0615","","","0.1408","0.1645","","","","","","1.049","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325226","16.402","0.002","22.618","0.003","19.711","0.002","90","","94.438","0.002","90","","7290.5","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H38 Cu3 F36 N6 O14 -","- C58 H38 Cu3 F36 N6 O14 -","- C232 H152 Cu12 F144 N24 O56 -","4","1","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.0895","0.0575","","","0.1314","0.147","","","","","","1.045","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325227","61.5935","0.0003","15.6399","0.0001","17.9843","0.0001","90","","95.8549","0.0002","90","","17234.2","0.17","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H38 Cu3 F36 N6 O14 -","- C58 H38 Cu3 F36 N6 O14 -","- C464 H304 Cu24 F288 N48 O112 -","8","1","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.1124","0.091","","","0.2513","0.2744","","","","","","1.022","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325228","61.1492","0.0003","15.5084","0.0001","17.77","0.0001","90","","95.6666","0.0003","90","","16769.4","0.17","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H38 Cu3 F36 N6 O14 -","- C58 H38 Cu3 F35.47 N6 O14 -","- C464 H304 Cu24 F283.76 N48 O112 -","8","1","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.0966","0.0721","","","0.1915","0.2097","","","","","","1.036","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325229","60.8915","0.0004","15.4268","0.0001","17.6013","0.0002","90","","95.3729","0.0004","90","","16461.3","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H45 Cu3 F36 N6 O14 -","- C61 H38 Cu3 F35.97 N6 O14 -","- C488 H304 Cu24 F287.76 N48 O112 -","8","1","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.0639","0.054","","","0.1379","0.1454","","","","","","1.035","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325230","6.5952","0.0002","9.3397","0.0003","11.2448","0.0004","84.8122","0.0014","83.1625","0.0014","73.647","0.003","658.72","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-[3-(N-Tert-butyl-N-hydroxylamino)phenyl]pyrimidine","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C28 H34 N6 O2 -","2","1","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.0504","0.0424","","","0.1105","0.1177","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325231","14.0496","0.0007","9.9966","0.0005","18.0855","0.0009","90","","107.663","0.001","90","","2420.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl Ir N2 O3 P -","- C28 H21 Cl Ir N2 O3 P -","- C112 H84 Cl4 Ir4 N8 O12 P4 -","4","1","","Yao-Yuan Chang; Jui-Yi Hung; Yun Chi; Jong-Pyng Chyn; Min-Wen Chung; Chia-Li Lin; Pi-Tai Chou; Gene-Hsiang Lee; Chih-Hao Chang; Wei-Chieh Lin","Emissive Iridium(III) Diimine Complexes Formed by Double Cyclometalation of Coordinated Triphenylphosphite","Inorganic Chemistry","2011","50","","5075","5084","10.1021/ic2003723","","","0.71073","MoKα","","0.0301","0.0251","","","0.0539","0.0624","","","","","","1.077","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325232","17.9687","0.0008","17.0664","0.0008","21.9546","0.001","90","","90","","90","","6732.6","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H37 Ir N3 O3 P S -","- C37 H37 Ir N3 O3 P S -","- C296 H296 Ir8 N24 O24 P8 S8 -","8","1","","Yao-Yuan Chang; Jui-Yi Hung; Yun Chi; Jong-Pyng Chyn; Min-Wen Chung; Chia-Li Lin; Pi-Tai Chou; Gene-Hsiang Lee; Chih-Hao Chang; Wei-Chieh Lin","Emissive Iridium(III) Diimine Complexes Formed by Double Cyclometalation of Coordinated Triphenylphosphite","Inorganic Chemistry","2011","50","","5075","5084","10.1021/ic2003723","","","0.71073","MoKα","","0.051","0.0344","","","0.0618","0.0666","","","","","","1.06","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325233","26.5941","0.0007","26.5941","0.0007","26.5941","0.0007","90","","90","","90","","18808.6","0.9","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8 H9 N Ni O4 -","- C8 H10 N Ni O4 -","- C384 H480 N48 Ni48 O192 -","48","0.25","","Palanikumar Maniam; Norbert Stock","Investigation of Porous Ni-Based Metal-Organic Frameworks Containing Paddle-Wheel Type Inorganic Building Units via High-Throughput Methods","Inorganic Chemistry","2011","50","","5085","5097","10.1021/ic200381f","","","0.71073","MoKα","","0.0698","0.0676","","","0.18","0.1812","","","","","","1.286","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325234","13.823","0.0004","13.823","0.0004","7.9625","0.0002","90","","90","","120","","1317.6","0.06","120","2","120","2","","","","","","","","5","P -3","-P 3","147","","","","- C7 H9 N Ni O5 -","- C7 H9 N Ni O5 -","- C42 H54 N6 Ni6 O30 -","6","1","","Palanikumar Maniam; Norbert Stock","Investigation of Porous Ni-Based Metal-Organic Frameworks Containing Paddle-Wheel Type Inorganic Building Units via High-Throughput Methods","Inorganic Chemistry","2011","50","","5085","5097","10.1021/ic200381f","","","0.71073","MoKα","","0.0576","0.0401","","","0.0698","0.0756","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325235","26.816","0.003","26.816","0.003","26.816","0.003","90","","90","","90","","19283","4","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C40 H24 N3 Ni2 O9 -","- C40 H24 N3 Ni2 O9 -","- C480 H288 N36 Ni24 O108 -","12","0.25","","Palanikumar Maniam; Norbert Stock","Investigation of Porous Ni-Based Metal-Organic Frameworks Containing Paddle-Wheel Type Inorganic Building Units via High-Throughput Methods","Inorganic Chemistry","2011","50","","5085","5097","10.1021/ic200381f","","","0.71073","MoKα","","0.0826","0.0762","","","0.2393","0.2468","","","","","","1.117","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325236","6.0268","0.0003","11.3635","0.0006","19.3485","0.001","90","","90","","90","","1325.09","0.12","293","2","293","2","101","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B3 Bi2 H O8 -","- B3 Bi2 H O8 -","- B24 Bi16 H8 O64 -","8","1","","Rihong Cong; Junliang Sun; Tao Yang; Mingrun Li; Fuhui Liao; Yingxia Wang; Jianhua Lin","Syntheses and Crystal Structures of Two New Bismuth Hydroxyl Borates Containing [Bi2O2]2+ Layers: Bi2O2[B3O5(OH)] and Bi2O2[BO2(OH)]","Inorganic Chemistry","2011","50","","5098","5104","10.1021/ic200382b","","","0.71073","MoKα","","0.0533","0.0393","","","0.0906","0.097","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325237","9.5091","0.0019","9.552","0.002","11.408","0.002","98.382","0.003","97.715","0.003","99.983","0.003","996","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Cl4 N2 O4 U -","- C40 H44 Cl4 N2 O4 U -","- C40 H44 Cl4 N2 O4 U -","1","0.5","","Jessie L. Brown; Charles C. Mokhtarzadeh; Jeremie M. Lever; Guang Wu; Trevor W. Hayton","Facile Reduction of a Uranyl(VI) β-Ketoiminate Complex to U(IV) Upon Oxo Silylation","Inorganic Chemistry","2011","50","","5105","5112","10.1021/ic200387n","","","0.71073","MoKα","","0.0344","0.0333","","","0.0651","0.0656","","","","","","1.015","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325238","9.452","0.007","9.961","0.008","20.94","0.016","103.327","0.012","90.511","0.013","101.222","0.012","1879","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Triphenylmonoiodophosphonium Uranium(V) tetraiodo-bistrimethylsilyloxide","","- C24 H33 I5 O2 P Si2 U -","- C24 H33 I5 O2 P Si2 U -","- C48 H66 I10 O4 P2 Si4 U2 -","2","1","","Jessie L. Brown; Charles C. Mokhtarzadeh; Jeremie M. Lever; Guang Wu; Trevor W. Hayton","Facile Reduction of a Uranyl(VI) β-Ketoiminate Complex to U(IV) Upon Oxo Silylation","Inorganic Chemistry","2011","50","","5105","5112","10.1021/ic200387n","","","0.71073","MoKα","","0.0654","0.0494","","","0.1216","0.1346","","","","","","1.004","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325239","20.377","0.007","9.122","0.003","19.007","0.006","90","","90.883","0.006","90","","3533","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Uranium(IV) bis(bipryridine)bis(iodo)bis(trimethylsilyloxide)","","- C27 H34 Cl2 I2 N4 O2 Si2 U -","- C27 H34 Cl2 I2 N4 O2 Si2 U -","- C108 H136 Cl8 I8 N16 O8 Si8 U4 -","4","0.5","","Jessie L. Brown; Charles C. Mokhtarzadeh; Jeremie M. Lever; Guang Wu; Trevor W. Hayton","Facile Reduction of a Uranyl(VI) β-Ketoiminate Complex to U(IV) Upon Oxo Silylation","Inorganic Chemistry","2011","50","","5105","5112","10.1021/ic200387n","","","0.71073","MoKα","","0.056","0.0389","","","0.0892","0.0962","","","","","","1.088","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325240","9.519","0.004","12.725","0.005","16.355","0.006","89.944","0.006","74.313","0.006","89.97","0.006","1907.3","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Uranium(IV) monoiodotetrakis(tetrahydrofuran)bistrimethylsilyloxide Triiodide","","- C22 H50 I4 O6 Si2 U -","- C22 H25 I4 O6 Si2 U -","- C44 H50 I8 O12 Si4 U2 -","2","1","","Jessie L. Brown; Charles C. Mokhtarzadeh; Jeremie M. Lever; Guang Wu; Trevor W. Hayton","Facile Reduction of a Uranyl(VI) β-Ketoiminate Complex to U(IV) Upon Oxo Silylation","Inorganic Chemistry","2011","50","","5105","5112","10.1021/ic200387n","","","0.71073","MoKα","","0.0919","0.0483","","","0.105","0.1224","","","","","","0.973","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325241","11.1984","0.0008","20.8114","0.0016","21.9881","0.0017","90","","91.752","0.004","90","","5122","0.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl4 F12 N4 Os P3 S3 -","- C46 H37 Cl4 F12 N4 Os P3 S3 -","- C184 H148 Cl16 F48 N16 Os4 P12 S12 -","4","1","","Stephanie A. Moore; Jeffrey K. Nagle; Michael O. Wolf; Brian O. Patrick","Coordination Mode Dependent Excited State Behavior in Group 8 Phosphino(terthiophene) Complexes","Inorganic Chemistry","2011","50","","5113","5122","10.1021/ic200392n","","","0.71073","MoKα","","0.055","0.0369","","","0.0882","0.1011","","","","","","1.065","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325242","39.8697","0.0009","9.427","0.0002","28.1007","0.0005","90","","130.946","0.001","90","","7977.5","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 F6 N4 Os P2 S3 -","- C44 H32 F6 N4 Os P2 S3 -","- C352 H256 F48 N32 Os8 P16 S24 -","8","1","","Stephanie A. Moore; Jeffrey K. Nagle; Michael O. Wolf; Brian O. Patrick","Coordination Mode Dependent Excited State Behavior in Group 8 Phosphino(terthiophene) Complexes","Inorganic Chemistry","2011","50","","5113","5122","10.1021/ic200392n","","","0.71073","MoKα","","0.0485","0.0298","","","0.0615","0.0682","","","","","","1.014","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325243","5.005","0.01","10.15","0.02","15.54","0.03","86.58","0.02","87.4","0.02","79.77","0.02","775","3","173","2","173","2","","","101","","","","","4","P -1","-P 1","2","4-Methoxybenzamidine","N,N,N'-4-Methoxybenzamidine","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C32 H40 N8 O4 -","4","2","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.0695","0.041","","","0.0959","0.1053","","","","","","0.978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325244","9.2967","0.0019","10.538","0.002","11.787","0.003","93.783","0.002","105.567","0.002","97.335","0.002","1097.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","MeO/CF3 Imidoyl Amidine","trifluoromethylimidoyl 4-methoxybenzamidine","","- C10 H10 F3 N3 O -","- C10 H10 F3 N3 O -","- C40 H40 F12 N12 O4 -","4","2","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.042","0.0338","","","0.0842","0.0896","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325245","8.8135","0.0017","16.356","0.003","14.069","0.003","90","","101.503","0.002","90","","1987.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CF3 Imidoyl Amidine","trifluoromethylimidoyl benzamidine","","- C9 H8 F3 N3 -","- C9 H8 F3 N3 -","- C72 H64 F24 N24 -","8","2","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.0496","0.037","","","0.0859","0.0934","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325246","11.2481","0.0008","14.669","0.001","14.3328","0.001","90","","93.775","0.001","90","","2359.8","0.3","173","2","173","2","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","MeO/CF3 Imidoyl Amidine","trifluoromethylimidoyl 4-trifluoromethylbenzamidine","","- C10 H7 F6 N3 -","- C10 H7 F6 N3 -","- C80 H56 F48 N24 -","8","2","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.0538","0.0468","","","0.1217","0.1298","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325247","14.507","0.003","17.395","0.003","4.7852","0.0008","90","","90","","90","","1207.5","0.4","173","2","173","2","","","101","","","","","6","P 21 21 2","P 2 2ab","18","CH3/CF3 TTA-Cl","3-trifluoromethyl-5-(4-tolyl)-1-thia-2,4,6-triazine","","- C10 H7 Cl F3 N3 S -","- C10 H7 Cl F3 N3 S -","- C40 H28 Cl4 F12 N12 S4 -","4","1","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.055","0.0379","","","0.0965","0.1026","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325248","14.592","0.0014","11.8343","0.0011","7.4331","0.0007","90","","94.772","0.001","90","","1279.1","0.2","173","2","173","2","","","101","","","","","6","P 1 21/c 1","-P 2ybc","14","CF3/CF3 TTA-Cl","1-chloro-3-trifluoromethyl-5-(4-trifluoromethyl)-1-thia-2,4,6-triazine","","- C10 H4 Cl F6 N3 S -","- C10 H4 Cl F6 N3 S -","- C40 H16 Cl4 F24 N12 S4 -","4","1","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.0414","0.0327","","","0.0843","0.0895","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325249","7.1075","0.0008","11.513","0.0013","13.3832","0.0015","88","0.001","86.281","0.001","80.483","0.001","1077.5","0.2","173","2","173","2","","","101","","","","","6","P -1","-P 1","2","4-MeO/CF3 TTA dimer","3-(4-methoxyphenyl)-5-(4-trifluoromethyl)-1-thia-2,4,6-triazinyl","","- C10 H7 F3 N3 O S -","- C10 H7 F3 N3 O S -","- C40 H28 F12 N12 O4 S4 -","4","2","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.0302","0.0273","","","0.0732","0.0757","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325250","11.5126","0.0012","14.7539","0.0015","15.0498","0.0015","111.216","0.001","99.913","0.001","107.677","0.001","2153","0.4","296","2","296","2","","","101","","","","","5","P -1","-P 1","2","Tol/CF3 TTA dimer","3-(4-tolyl)-5-(4-trifluoromethyl)-1-thia-2,4,6-triazinyl","","- C20 H14 F6 N6 S2 -","- C20 H14 F6 N6 S2 -","- C80 H56 F24 N24 S8 -","4","2","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.0572","0.0379","","","0.1035","0.1127","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325251","9.4879","0.0009","9.4879","0.0009","21.584","0.004","90","","90","","90","","1943","0.4","173","2","173","2","","","101","","","","","6","P 41 21 2","P 4abw 2nw","92","N-Sulfurylchloride-N,N'-benzamidine","N-Sulfurylchloride-N,N'-benzamidine","","- C7 H7 Cl N2 O2 S -","- C7 H7 Cl N2 O2 S -","- C56 H56 Cl8 N16 O16 S8 -","8","1","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.061","0.0421","","","0.1101","0.1166","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325252","9.136","0.004","10.728","0.004","11.016","0.005","84.652","0.004","69.663","0.004","68.715","0.003","942.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H5 F3 N3 S -","- C9 H5 F3 N3 S -","- C36 H20 F12 N12 S4 -","4","2","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.0444","0.0368","","","0.0976","0.1036","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325253","11.1851","0.0015","14.799","0.002","14.806","0.002","110.945","0.001","103.21","0.002","106.572","0.001","2038.8","0.5","173","2","173","2","","","101","","","","","6","P -1","-P 1","2","4-Cl/CF3 TTA dimer","3-(4-chlorophenyl)-5-(4-trifluoromethyl)-1-thia-2,4,6-triazinyl","","- C9 H4 Cl F3 N3 S -","- C9 H4 Cl F3 N3 S -","- C72 H32 Cl8 F24 N24 S8 -","8","4","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.0825","0.0426","","","0.0893","0.1054","","","","","","1.022","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4325254","10.7943","0.0006","13.3162","0.0008","16.791","0.001","94.042","0.001","107.476","0.001","96.119","0.001","2275.6","0.2","173","2","173","2","","","101","","","","","5","P -1","-P 1","2","4-CF3/CF3 TTA dimer","3-(4-trifluoromethylphenyl)-5-(4-trifluoromethyl)-1-thia-2,4,6-triazinyl","","- C20 H8 F12 N6 S2 -","- C20 H8 F12 N6 S2 -","- C80 H32 F48 N24 S8 -","4","2","","René T. Boeré; Tracey L. Roemmele; Xin Yu","Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry","Inorganic Chemistry","2011","50","","5123","5136","10.1021/ic2003996","","x-ray","0.71073","MoKα","","0.0689","0.044","","","0.1141","0.126","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325255","13.374","0.0004","25.7135","0.0006","14.7678","0.0005","90","","106.709","0.003","90","","4864.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C94 H78 N2 S15 Zn8 -","- C94 H78 N2 S15 Zn8 -","- C188 H156 N4 S30 Zn16 -","2","1","","Ziyi Chen; Daibing Luo; Maoping Kang; Zhien Lin","New Semiconducting Coordination Polymers from Zinc Sulfide Clusters and Chains","Inorganic Chemistry","2011","50","","4674","4676","10.1021/ic2004003","","","0.71073","MoKα","","0.1346","0.0794","","","0.1787","0.2107","","","","","","1.022","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325256","12.0867","0.0002","18.9621","0.0003","14.1751","0.0003","90","","103.425","0.002","90","","3160.01","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 S4 Zn2 -","- C34 H28 N2 S4 Zn2 -","- C136 H112 N8 S16 Zn8 -","4","1","","Ziyi Chen; Daibing Luo; Maoping Kang; Zhien Lin","New Semiconducting Coordination Polymers from Zinc Sulfide Clusters and Chains","Inorganic Chemistry","2011","50","","4674","4676","10.1021/ic2004003","","","0.71073","MoKα","","0.0375","0.0243","","","0.0498","0.0512","","","","","","0.919","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325257","13.3685","0.0004","25.7159","0.0006","14.7774","0.0006","90","","106.772","0.004","90","","4864.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C94 H78 N2 S15 Zn8 -","- C94 N2 S15 Zn8 -","- C188 N4 S30 Zn16 -","2","1","","Ziyi Chen; Daibing Luo; Maoping Kang; Zhien Lin","New Semiconducting Coordination Polymers from Zinc Sulfide Clusters and Chains","Inorganic Chemistry","2011","50","","4674","4676","10.1021/ic2004003","","","0.71073","MoKα","","0.1081","0.0678","","","0.1582","0.1833","","","","","","1.019","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325258","8.3435","0.0003","15.097","0.0005","8.7707","0.0003","90","","99.007","0.002","90","","1091.15","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Mo N4 O3 -","- C23 H26 Mo N4 O3 -","- C46 H52 Mo2 N8 O6 -","2","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0204","0.0198","","","0.0462","0.0464","","","","","","1.016","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325259","10.1405","0.0002","11.8097","0.0002","19.7182","0.0004","90","","90","","90","","2361.38","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 F6 Mo N5 O2 P -","- C21 H26 F6 Mo N5 O2 P -","- C84 H104 F24 Mo4 N20 O8 P4 -","4","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0253","0.0242","","","0.0577","0.0581","","","","","","1.085","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325260","8.8118","0.0002","13.4003","0.0004","23.2216","0.0006","90","","90","","90","","2742.02","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cu F6 N4 O6 S2 -","- C22 H26 Cu F6 N4 O6 S2 -","- C88 H104 Cu4 F24 N16 O24 S8 -","4","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.075","0.0738","","","0.2018","0.2036","","","","","","1.028","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325261","8.4034","0.0001","12.4355","0.0002","24.5737","0.0003","90","","90","","90","","2567.96","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 B2 Cu F8 N5 -","- C22 H29 B2 Cu F8 N5 -","- C88 H116 B8 Cu4 F32 N20 -","4","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0304","0.0287","","","0.0728","0.0737","","","","","","1.039","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325262","13.1291","0.0003","14.0587","0.0003","13.2317","0.0003","90","","92.302","0.001","90","","2440.31","0.09","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H26 F6 Mo N5 O2 P -","- C21 H26 F6 Mo N5 O2 P -","- C84 H104 F24 Mo4 N20 O8 P4 -","4","2","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0336","0.0321","","","0.0783","0.079","","","","","","1.029","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325263","13.6152","0.0008","15.1169","0.001","12.6036","0.0008","90","","90","","90","","2594.1","0.3","293","2","293","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Br F6 Mo N5 O P -","- C20 H26 Br F6 Mo N5 O P -","- C80 H104 Br4 F24 Mo4 N20 O4 P4 -","4","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0594","0.0479","","","0.1158","0.1291","","","","","","1.079","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325264","12.7679","0.0017","13.9944","0.0019","19.567","0.003","90","","96.837","0.005","90","","3471.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 Eu F18 N2 O8 -","- C28 H14 Eu F18 N2 O8 -","- C112 H56 Eu4 F72 N8 O32 -","4","1","","Svetlana V. Eliseeva; Dmitry N. Pleshkov; Konstantin A. Lyssenko; Leonid S. Lepnev; Jean-Claude G. Bünzli; Natalia P. Kuzmina","Deciphering Three Beneficial Effects of 2,2'-Bipyridine-N,N'-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes","Inorganic Chemistry","2011","50","","5137","5144","10.1021/ic200450x","","","0.71073","MoKα","","0.0389","0.0294","","","0.0676","0.0712","","","","","","1.035","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325265","6.3846","0.0005","16.7722","0.0019","8.9996","0.0012","90","","100.121","0.008","90","","948.71","0.18","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 N O7 P V -","- C5 H10 N O7 P V -","- C20 H40 N4 O28 P4 V4 -","4","1","","Prakash Kanoo; Ashta Chandra Ghosh; Tapas Kumar Maji","A Vanadium (VO2+) Metal-Organic Framework: Selective Vapor Adsorption, Magnetic Properties, and Use as a Precursor for a Polyoxovanadate","Inorganic Chemistry","2011","50","","5145","5152","10.1021/ic200463k","","","0.71073","MoKα","","0.1424","0.075","","","0.1763","0.208","","","","","","1.07","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325266","19.206","0.004","20.886","0.004","13.397","0.003","90","","110.247","0.007","90","","5042","1.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 N6 O50 P V14 -","- C12 H24 N6 O50 P V14 -","- C48 H96 N24 O200 P4 V56 -","4","0.5","","Prakash Kanoo; Ashta Chandra Ghosh; Tapas Kumar Maji","A Vanadium (VO2+) Metal-Organic Framework: Selective Vapor Adsorption, Magnetic Properties, and Use as a Precursor for a Polyoxovanadate","Inorganic Chemistry","2011","50","","5145","5152","10.1021/ic200463k","","","0.71073","MoKα","","0.0879","0.0574","","","0.1462","0.1823","","","","","","1.133","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325267","11.4389","0.0005","22.3831","0.001","12.9427","0.0006","90","","92.026","0.002","90","","3311.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 B Mn N8 O2 -","- C29 H49 B Mn N8 O2 -","- C116 H196 B4 Mn4 N32 O8 -","4","1","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes","Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates","Inorganic Chemistry","2011","50","","5153","5164","10.1021/ic200464t","","","1.54178","CuKα","","0.1113","0.0758","","","0.2374","0.2964","","","","","","1.083","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325268","13.7449","0.0003","7.9023","0.0002","24.6315","0.0006","90","","101.228","0.001","90","","2624.18","0.11","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 B Mn N8 O2 -","- C23 H31 B Mn N8 O2 -","- C92 H124 B4 Mn4 N32 O8 -","4","1","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes","Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates","Inorganic Chemistry","2011","50","","5153","5164","10.1021/ic200464t","","","1.54178","CuKα","","0.0395","0.0358","","","0.0876","0.0898","","","","","","1.022","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325269","11.3921","0.0001","15.0378","0.0002","19.0437","0.0002","87.6479","0.0004","77.8182","0.0004","83.1053","0.0004","3165.48","0.06","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H84 B2 Mn2 N17 O4.5 -","- C55 H84 B2 Mn2 N17 O4.5 -","- C110 H168 B4 Mn4 N34 O9 -","2","1","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes","Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates","Inorganic Chemistry","2011","50","","5153","5164","10.1021/ic200464t","","","0.71073","MoKα","","0.0977","0.0576","","","0.1443","0.1666","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325270","9.6732","0.0002","23.2168","0.0004","18.5506","0.0004","90","","98.031","0.0009","90","","4125.25","0.14","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H59 B Mn N9 O4.5 -","- C37 H59 B Mn N9 O4.5 -","- C148 H236 B4 Mn4 N36 O18 -","4","1","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes","Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates","Inorganic Chemistry","2011","50","","5153","5164","10.1021/ic200464t","","","0.71073","MoKα","","0.0665","0.0389","","","0.0889","0.0999","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325271","15.459","0.0004","10.326","0.0003","15.699","0.0005","90","","99.175","0.0011","90","","2473.96","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[NEt4]2[Mn(CN)4]","","","- C20 H40 Mn N6 -","- C20 H40 Mn N6 -","- C80 H160 Mn4 N24 -","4","0.5","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes","Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates","Inorganic Chemistry","2011","50","","5153","5164","10.1021/ic200464t","","","0.71073","MoKα","","0.0833","0.0426","","","0.0939","0.1079","","","","","","1.022","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325272","9.7995","0.0002","15.7266","0.0003","16.3355","0.0004","84.4993","0.0008","85.766","0.0008","82.9083","0.0009","2481.84","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[PPN][(Tp*)Mn(CN)3]","","","- C54 H52 B Mn N10 P2 -","- C54 H52 B Mn N10 P2 -","- C108 H104 B2 Mn2 N20 P4 -","2","1","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes","Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates","Inorganic Chemistry","2011","50","","5153","5164","10.1021/ic200464t","","","0.71073","MoKα","","0.1015","0.0567","","","0.152","0.1728","","","","","","1.1","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325273","13.0256","0.0018","13.0256","0.0018","13.993","0.003","90","","90","","90","","2374.1","0.7","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C46 H40 Co4 Mn N6 O2 -","- C46 H40 Co4 Mn N6 O2 -","- C92 H80 Co8 Mn2 N12 O4 -","2","0.25","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes","Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates","Inorganic Chemistry","2011","50","","5153","5164","10.1021/ic200464t","","","0.71073","MoKα","","0.1197","0.1015","","","0.2977","0.3156","","","","","","1.328","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325274","15.282","0.003","14.216","0.003","12.11","0.002","90","","109.58","0.03","90","","2478.8","0.9","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Co(CN)2","","","- C50 H38 Co2 F6 N14 O6 S2 -","- C50 H38 Co2 F6 N13 O6 S2 -","- C100 H76 Co4 F12 N26 O12 S4 -","2","0.25","","Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes","Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates","Inorganic Chemistry","2011","50","","5153","5164","10.1021/ic200464t","","","0.71073","MoKα","","0.088","0.0622","","","0.1555","0.1657","","","","","","1.162","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325275","19.861","0.003","19.861","0.003","6.9222","0.0014","90","","90","","90","","2730.5","0.8","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C41 H64 N12 O5.25 -","- C41 H64 N12 O5.26 -","- C82 H128 N24 O10.52 -","2","0.25","","Peter Comba; Nina Dovalil; Graeme R. Hanson; Gerald Linti","Synthesis and CuII Coordination Chemistry of a Patellamide Derivative: Consequences of the Change from the Natural Thiazole/Oxazoline to the Artificial Imidazole Heterocycles","Inorganic Chemistry","2011","50","","5165","5174","10.1021/ic2004694","","x-ray","0.71073","MoKα","","0.1452","0.0942","","","0.2646","0.2868","","","","","","0.947","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325276","11.876","0.002","11.599","0.002","18.24","0.004","90","","102.09","0.03","90","","2456.8","0.8","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C40 H66 Cl Cu2 N12 O13 -","- C40 H66 Cl Cu2 N12 O13 -","- C80 H132 Cl2 Cu4 N24 O26 -","2","0.5","","Peter Comba; Nina Dovalil; Graeme R. Hanson; Gerald Linti","Synthesis and CuII Coordination Chemistry of a Patellamide Derivative: Consequences of the Change from the Natural Thiazole/Oxazoline to the Artificial Imidazole Heterocycles","Inorganic Chemistry","2011","50","","5165","5174","10.1021/ic2004694","","x-ray","0.71073","MoKα","","0.1206","0.0503","","","0.1015","0.1262","","","","","","0.847","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325277","21.51","0.007","21.51","0.007","21.51","0.007","90","","90","","90","","9952","6","110","2","110","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H96 La3 N21 Ni6 O51 -","- C48 H96 La3 N21 Ni6 O51 -","- C192 H384 La12 N84 Ni24 O204 -","4","0.333333","","Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios","Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry","Inorganic Chemistry","2011","50","","5175","5185","10.1021/ic2004744","","","0.71073","MoKα","","0.071","0.0469","","","0.1283","0.1357","","","","","","1.077","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325278","11.95","0.004","12.369","0.004","21.992","0.006","91.86","0.03","101.19","0.03","103.07","0.03","3096.3","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.05 H83.2 N11 Ni4 O35.05 -","- C32.05 H81 N11 Ni4 O35.05 -","- C64.1 H162 N22 Ni8 O70.1 -","2","1","","Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios","Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry","Inorganic Chemistry","2011","50","","5175","5185","10.1021/ic2004744","","","0.71073","MoKα","","0.0548","0.0383","","","0.1046","0.1081","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325279","16.557","0.005","17.905","0.005","14.13","0.004","90","","90","","90","","4189","2","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C48 H107 La N15 Ni6 O38.5 -","- C48 H96 La N14.9998 Ni6 O38.4994 -","- C96 H192 La2 N29.9996 Ni12 O76.9988 -","2","0.25","","Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios","Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry","Inorganic Chemistry","2011","50","","5175","5185","10.1021/ic2004744","","","0.71073","MoKα","","0.0487","0.0424","","","0.1252","0.131","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325280","16.373","0.007","17.206","0.008","13.912","0.004","90","","90","","90","","3919","3","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C48 H107 N15 Ni6 O38.5 Pr -","- C48 H96 N15 Ni6 O38.5 Pr -","- C96 H192 N30 Ni12 O77 Pr2 -","2","0.25","","Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios","Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry","Inorganic Chemistry","2011","50","","5175","5185","10.1021/ic2004744","","","0.71073","MoKα","","0.0494","0.0388","","","0.1008","0.103","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325281","13.172","0.006","17.242","0.008","22.112","0.01","90","","90","","90","","5022","4","100","2","100","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C26.8 H57 N4 Ni5 O20.7 -","- C26.8 H54.4 N4 Ni5 O20.7 -","- C107.2 H217.6 N16 Ni20 O82.8 -","4","0.5","","Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios","Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry","Inorganic Chemistry","2011","50","","5175","5185","10.1021/ic2004744","","","0.71073","MoKα","","0.1379","0.0615","","","0.1759","0.1894","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325282","10.125","0.012","11.394","0.016","19.725","0.019","90","","105.36","0.04","90","","2194","5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 Co N14 O2 -","- C50 H36 Co N14 O2 -","- C100 H72 Co2 N28 O4 -","2","0.5","","Satoru Karasawa; Noboru Koga","Magnetic Properties after Irradiation of 1:4 Complexes Consisting of CoX2, X = NCS-, Cl-, and NCO-, and Phenylpyridyldiazomethane in Dilute Frozen Solutions: Axial Ligand Effect in Heterospin Single-Molecule Magnets","Inorganic Chemistry","2011","50","","5186","5195","10.1021/ic200482y","","","0.71075","MoKα","","","0.0439","","","","0.1194","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325283","11.6865","0.001","22.137","0.0019","23.058","0.002","90","","90","","90","","5965.2","0.9","123.1","","123.1","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H68 Cl2 Co N12 -","- C64 H76 Cl2 Co N12 -","- C256 H304 Cl8 Co4 N48 -","4","0.5","","Satoru Karasawa; Noboru Koga","Magnetic Properties after Irradiation of 1:4 Complexes Consisting of CoX2, X = NCS-, Cl-, and NCO-, and Phenylpyridyldiazomethane in Dilute Frozen Solutions: Axial Ligand Effect in Heterospin Single-Molecule Magnets","Inorganic Chemistry","2011","50","","5186","5195","10.1021/ic200482y","","","0.71075","MoKα","","","0.0858","","","","0.3033","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325284","17.1658","0.0006","12.5539","0.0004","15.1201","0.0005","90","","100.845","0.002","90","","3200.15","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 F6 N5 O6 P Re2 -","- C27 H28 F6 N5 O6 P Re2 -","- C108 H112 F24 N20 O24 P4 Re8 -","4","1","","Adam L. Moore; Brendan Twamley; Charles L. Barnes; Paul D. Benny","Investigation of Mixed Oxidation State Cyanide-Bridged ReVOxo (acac2en/pn) and ReI(bipy)(CO)3 Complexes","Inorganic Chemistry","2011","50","","4686","4688","10.1021/ic2005002","","x-ray","0.71073","MoKα","","0.032","0.0273","","","0.0757","0.0789","","","","","","1.043","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325285","7.0984","0.0004","8.8573","0.0005","22.737","0.0014","90","","91.242","0.001","90","","1429.2","0.14","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","R(O)ReCN","","","- C13 H18 N3 O3 Re -","- C13 H18 N3 O3 Re -","- C52 H72 N12 O12 Re4 -","4","1","","Adam L. Moore; Brendan Twamley; Charles L. Barnes; Paul D. Benny","Investigation of Mixed Oxidation State Cyanide-Bridged ReVOxo (acac2en/pn) and ReI(bipy)(CO)3 Complexes","Inorganic Chemistry","2011","50","","4686","4688","10.1021/ic2005002","","x-ray","0.71073","MoKα","","0.0232","0.0188","","","0.0404","0.0427","","","","","","1.034","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325286","5.1809","0.0004","8.3238","0.0007","7.1541","0.0006","90","","98.413","0.001","90","","305.2","0.04","293","0.2","293","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Mo O7 Se Zn2 -","- Mo O7 Se Zn2 -","- Mo2 O14 Se2 Zn4 -","2","1","","Sau Doan Nguyen; Sang-Hwan Kim; P. Shiv Halasyamani","Synthesis, Characterization, and Structure-Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3)","Inorganic Chemistry","2011","50","","5215","5222","10.1021/ic200511q","","","0.71073","MoKα","","0.0182","0.0179","","","0.0435","0.0437","","","","","","1.075","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325287","5.178","0.004","8.409","0.006","7.241","0.005","90","","99.351","0.008","90","","311.1","0.4","293","0.2","293","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Mo O7 Te Zn2 -","- Mo O7 Te Zn2 -","- Mo2 O14 Te2 Zn4 -","2","1","","Sau Doan Nguyen; Sang-Hwan Kim; P. Shiv Halasyamani","Synthesis, Characterization, and Structure-Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3)","Inorganic Chemistry","2011","50","","5215","5222","10.1021/ic200511q","","","0.71073","MoKα","","0.0212","0.0209","","","0.0541","0.0542","","","","","","1.099","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325288","12.7757","0.0015","16.831","0.002","24.504","0.003","90","","103.753","0.002","90","","5118","1.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Ir2(tfepma)2(CNtBu)2Cl2","","","- C28 H40 Cl2 F24 Ir2 N4 O8 P4 -","- C28 H40 Cl2 F24 Ir2 N4 O8 P4 -","- C112 H160 Cl8 F96 Ir8 N16 O32 P16 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.0448","0.0317","","","0.0712","0.0786","","","","","","1.042","","","","has coordinates","209035","2020-10-21","18:00:00",""
"4325289","23.342","0.006","23.35","0.006","23.863","0.006","90","","114.407","0.004","90","","11844","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Rh2(tfepma)2(CNtBu)3Cl]Cl","","","- C33.5 H50 Cl3 F24 N5 O8 P4 Rh2 -","- C33.5 H50 Cl3 F24 N5 O8 P4 Rh2 -","- C268 H400 Cl24 F192 N40 O64 P32 Rh16 -","8","2","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.0963","0.0614","","","0.1341","0.1568","","","","","","1.093","","","","has coordinates,has disorder","208206","2020-10-21","18:00:00",""
"4325290","14.1247","0.0012","19.1523","0.0016","22.2083","0.0019","90","","92.009","0.002","90","","6004.1","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Ir2(tfepma)2(CNtBu)3Cl2","","","- C34 H51 Cl4 F24 Ir2 N5 O8 P4 -","- C34 H51 Cl4 F24 Ir2 N5 O8 P4 -","- C136 H204 Cl16 F96 Ir8 N20 O32 P16 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.0487","0.0339","","","0.0735","0.0805","","","","","","1.033","","","","has coordinates","209035","2020-10-21","18:00:00",""
"4325291","11.4612","0.0012","11.9197","0.0013","21.769","0.003","98.562","0.003","97.729","0.002","108.231","0.002","2740.8","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Rh2(tfepma)2(CNtBu)3","","","- C33 H49 F24 N5 O8 P4 Rh2 -","- C33 H49 F24 N5 O8 P4 Rh2 -","- C66 H98 F48 N10 O16 P8 Rh4 -","2","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.0683","0.0436","","","0.0961","0.1086","","","","","","1.037","","","","has coordinates","209035","2020-10-21","18:00:00",""
"4325292","11.4559","0.0019","11.936","0.002","21.746","0.004","98.676","0.003","97.678","0.003","108.068","0.002","2742.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Ir2(tfepma)2(CNtBu)3","","","- C33 H49 F24 Ir2 N5 O8 P4 -","- C33 H49 F24 Ir2 N5 O8 P4 -","- C66 H98 F48 Ir4 N10 O16 P8 -","2","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.0464","0.0314","","","0.0632","0.0694","","","","","","1.03","","","","has coordinates","209035","2020-10-21","18:00:00",""
"4325293","17.81","0.002","13.7756","0.0016","22.387","0.003","90","","95.925","0.002","90","","5463.2","1.1","183","2","183","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Ir2(tfepma)2(CNtBu)2cl4","","","- C28 H40 Cl4 F24 Ir2 N4 O8 P4 -","- C28 H40 Cl4 F24 Ir2 N4 O8 P4 -","- C112 H160 Cl16 F96 Ir8 N16 O32 P16 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.053","0.0338","","","0.0781","0.0896","","","","","","1.043","","","","has coordinates,has disorder","209035","2020-10-21","18:00:00",""
"4325294","11.969","0.001","12.9308","0.0011","18.8604","0.0016","86.661","0.001","82.484","0.001","66.698","0.001","2657.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Ir2(tfepma)2(CNtBu)2Cl3H","","","- C28 H41 Cl3 F24 Ir2 N4 O8 P4 -","- C28 H41 Cl3 F24 Ir2 N4 O8 P4 -","- C56 H82 Cl6 F48 Ir4 N8 O16 P8 -","2","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.04","0.0307","","","0.0712","0.076","","","","","","1.049","","","","has coordinates","209036","2020-10-21","18:00:00",""
"4325295","29.043","0.003","29.565","0.003","19.9842","0.0018","90","","130.356","0.001","90","","13076","2","175","2","175","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","Ir2(tfepma)2(CNtBu)2(H)(OTs)","","","- C36.25 H50.5 Cl4.5 F24 Ir2 N4 O11 P4 S -","- C36.25 H50.5 Cl4.5 F24 Ir2 N4 O11 P4 S -","- C290 H404 Cl36 F192 Ir16 N32 O88 P32 S8 -","8","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.0639","0.0426","","","0.1066","0.1263","","","","","","1.088","","","","has coordinates,has disorder","208246","2020-10-21","18:00:00",""
"4325296","12.9771","0.0014","22.103","0.002","22.523","0.002","90","","93.474","0.002","90","","6448.5","1.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Rh2(tfepma)2(CNtBu)3(mu-H)](OTs)","","","- C40 H57 F24 N5 O11 P4 Rh2 S -","- C40 H57 F24 N5 O11 P4 Rh2 S -","- C160 H228 F96 N20 O44 P16 Rh8 S4 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.1133","0.0963","","","0.2099","0.2192","","","","","","1.179","","","","has coordinates,has disorder","209035","2020-10-21","18:00:00",""
"4325297","10.6705","0.0009","13.3913","0.0011","19.0514","0.0016","96.092","0.001","99.026","0.001","99.435","0.001","2627.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Ir2(tfepma)2(CNtBu)2(H)2Cl2","","","- C28 H42 Cl2 F24 Ir2 N4 O8 P4 -","- C28 H42 Cl2 F24 Ir2 N4 O8 P4 -","- C56 H84 Cl4 F48 Ir4 N8 O16 P8 -","2","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.0465","0.0412","","","0.092","0.0941","","","","","","1.228","","","","has coordinates,has disorder","209035","2020-10-21","18:00:00",""
"4325298","13.4826","0.0016","18.813","0.002","23.724","0.003","90","","90","","90","","6017.5","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Ir2(dppm)(PPh(o-C6H4)CH2PPh2)(CNtBu)2Cl2H","","","- C64 H70 Cl2 Ir2 N2 O P4 -","- C64 H70 Cl2 Ir2 N2 O P4 -","- C256 H280 Cl8 Ir8 N8 O4 P16 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.0297","0.0252","","","0.0528","0.0546","","","","","","1.039","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4325299","8.8541","0.0001","13.8896","0.0001","29.3729","0.0002","90","","90","","90","","3612.28","0.05","293","2","293","2","","","","","","","synthesis","6","P b c a","-P 2ac 2ab","61","","","","- C19 H23 Cl N2 O Ru -","- C19 H23 Cl N2 O Ru -","- C152 H184 Cl8 N16 O8 Ru8 -","8","1","","Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez","Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State","Inorganic Chemistry","2011","50","","4868","4881","10.1021/ic200547k","","","1.54184","CuKα","","0.0255","0.0235","","","0.0613","0.0629","","","","","","1.057","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325300","33.2559","0.0008","24.4116","0.0006","11.1014","0.0002","90","","90","","90","","9012.4","0.3","293","2","293","2","","","","","","","synthesis","5","F d d 2","F 2 -2d","43","","","","- C13 H20 Cl2 N2 Ru -","- C13 H20 Cl2 N2 Ru -","- C312 H480 Cl48 N48 Ru24 -","24","1.5","","Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez","Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State","Inorganic Chemistry","2011","50","","4868","4881","10.1021/ic200547k","","","1.54184","CuKα","","0.0443","0.0426","","","0.115","0.1166","","","","","","1.073","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325301","7.6952","0.0001","22.8324","0.0003","9.0117","0.0001","90","","90","","90","","1583.35","0.03","293","2","293","2","","","","","","","synthesis","5","P n a 21","P 2c -2n","33","","","","- C14 H22 Cl2 N2 Ru -","- C14 H22 Cl2 N2 Ru -","- C56 H88 Cl8 N8 Ru4 -","4","1","","Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez","Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State","Inorganic Chemistry","2011","50","","4868","4881","10.1021/ic200547k","","","1.54184","CuKα","","0.0343","0.0329","","","0.0904","0.0915","","","","","","1.083","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325302","9.1513","0.0001","22.9768","0.0002","7.8822","0.0001","90","","93.313","0.001","90","","1654.6","0.03","293","2","293","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl2 N2 Ru -","- C15 H24 Cl2 N2 Ru -","- C60 H96 Cl8 N8 Ru4 -","4","1","","Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez","Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State","Inorganic Chemistry","2011","50","","4868","4881","10.1021/ic200547k","","","1.54184","CuKα","","0.0386","0.0347","","","0.092","0.0949","","","","","","1.067","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325303","16.2255","0.0008","8.3163","0.0004","14.5735","0.0004","90","","91.335","0.003","90","","1965.96","0.15","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl2 N2 O Ru -","- C19 H24 Cl2 N2 O Ru -","- C76 H96 Cl8 N8 O4 Ru4 -","4","1","","Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez","Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State","Inorganic Chemistry","2011","50","","4868","4881","10.1021/ic200547k","","","0.71073","MoKα","","0.0634","0.0365","","","0.1022","0.1082","","","","","","0.85","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325304","12.3933","0.0007","8.5805","0.0004","15.8735","0.001","90","","95.632","0.003","90","","1679.85","0.16","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl2 N3 O2 Ru -","- C13 H19 Cl2 N3 O2 Ru -","- C52 H76 Cl8 N12 O8 Ru4 -","4","1","","Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez","Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State","Inorganic Chemistry","2011","50","","4868","4881","10.1021/ic200547k","","","0.71073","MoKα","","0.0476","0.0318","","","0.087","0.1081","","","","","","0.955","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325305","19.49","0.02","11.295","0.012","5.654","0.006","90","","90","","90","","1245","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Potassium neptunium(V) hydrate chloride","","","- Cl4 K Np3 O7 -","- Cl4 K Np3 O7 -","- Cl16 K4 Np12 O28 -","4","1","","Shuao Wang; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","K(NpO2)3(H2O)Cl4: A Channel Structure Assembled by Two- and Three-Center Cation-Cation Interactions of Neptunyl Cations","Inorganic Chemistry","2011","50","","4692","4694","10.1021/ic200549f","","","0.71073","MoKα","","0.0257","0.0217","","","0.0374","0.0387","","","","","","0.984","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325306","6.8975","0.0001","9.8576","0.0002","7.1974","0.0001","90","","95.7136","0.0011","90","","486.94","0.014","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0183","0.018","","0.022","","0.022","","","1.992","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325307","6.9021","0.0001","9.8811","0.0002","7.1983","0.0001","90","","95.7264","0.0012","90","","488.477","0.014","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0183","0.018","","0.022","","0.022","","","1.989","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325308","6.9053","0.0001","9.899","0.0002","7.1995","0.0001","90","","95.7451","0.0012","90","","489.654","0.014","140","","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0185","0.019","","0.022","","0.022","","","1.966","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325309","6.9084","0.0001","9.9204","0.0002","7.2012","0.0001","90","","95.7836","0.0012","90","","491.015","0.014","160","","160","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0193","0.019","","0.022","","0.022","","","1.972","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325310","6.9683","0.0002","10.1628","0.0002","7.2379","0.0001","90","","96.7817","0.0013","90","","508.983","0.019","310","","310","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.023","0.023","","0.023","","0.023","","","1.995","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325311","6.9743","0.0002","10.1814","0.0002","7.2424","0.0001","90","","96.88","0.001","90","","510.566","0.019","320","","320","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0229","0.023","","0.022","","0.022","","","1.95","","","1.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325312","6.9802","0.0002","10.2012","0.0003","7.247","0.0002","90","","96.977","0.002","90","","512.21","0.03","330","","330","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0237","0.024","","0.025","","0.025","","","1.979","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325313","6.9861","0.0002","10.218","0.0003","7.2517","0.0002","90","","97.069","0.002","90","","513.72","0.03","340","","340","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0235","0.024","","0.023","","0.023","","","1.986","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325314","6.9915","0.0002","10.2329","0.0004","7.2565","0.0002","90","","97.166","0.002","90","","515.1","0.03","350","","350","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0242","0.024","","0.026","","0.026","","","1.901","","","1.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325315","6.9132","0.0001","9.945","0.0002","7.2035","0.0001","90","","95.8447","0.0012","90","","492.679","0.014","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0198","0.02","","0.022","","0.022","","","1.992","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325316","6.9177","0.0001","9.8805","0.0002","7.1781","0.0001","90","","98.4904","0.001","90","","485.249","0.014","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Ni O8 -","- C6 H14 Ni O8 -","- C12 H28 Ni2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0187","0.019","","0.02","","0.02","","","1.983","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325317","6.9192","0.0001","9.9734","0.0002","7.2068","0.0001","90","","95.9395","0.0012","90","","494.657","0.014","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0202","0.02","","0.022","","0.022","","","1.947","","","1.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325318","6.9198","0.0001","9.9114","0.0002","7.1815","0.0001","90","","98.4338","0.0011","90","","487.216","0.014","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Ni O8 -","- C6 H14 Ni O8 -","- C12 H28 Ni2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0195","0.02","","0.022","","0.022","","","1.994","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325319","6.9257","0.0001","10.0051","0.0002","7.2106","0.0001","90","","96.0558","0.0012","90","","496.851","0.014","220","","220","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0208","0.021","","0.023","","0.023","","","1.992","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325320","6.9235","0.0001","9.9491","0.0001","7.1847","0.0001","90","","98.3669","0.0008","90","","489.633","0.011","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Ni O8 -","- C6 H14 Ni O8 -","- C12 H28 Ni2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0196","0.02","","0.02","","0.02","","","1.992","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325321","6.9339","0.0001","10.0378","0.0002","7.2156","0.0001","90","","96.1884","0.0011","90","","499.287","0.014","240","","240","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0205","0.021","","0.021","","0.021","","","1.987","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325322","6.9284","0.0001","9.9899","0.0002","7.188","0.0001","90","","98.2997","0.0012","90","","492.3","0.014","250","","250","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Ni O8 -","- C6 H14 Ni O8 -","- C12 H28 Ni2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0213","0.021","","0.022","","0.022","","","1.949","","","1.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325323","6.9422","0.0002","10.0719","0.0002","7.2206","0.0001","90","","96.338","0.0012","90","","501.787","0.019","260","","260","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0221","0.022","","0.022","","0.022","","","1.972","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325324","6.9335","0.0001","10.0299","0.0002","7.1907","0.0001","90","","98.2425","0.0011","90","","494.892","0.014","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Ni O8 -","- C6 H14 Ni O8 -","- C12 H28 Ni2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0225","0.023","","0.024","","0.024","","","1.987","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325325","6.9527","0.0002","10.1099","0.0002","7.2265","0.0001","90","","96.5186","0.0013","90","","504.675","0.019","280","","280","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0219","0.022","","0.023","","0.023","","","1.953","","","1.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325326","6.9414","0.0001","10.0762","0.0002","7.197","0.0002","90","","98.1913","0.0013","90","","498.244","0.019","350","","350","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Ni O8 -","- C6 H14 Ni O8 -","- C12 H28 Ni2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0232","0.023","","0.024","","0.024","","","1.967","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325327","6.9599","0.0002","10.1405","0.0003","7.2321","0.0001","90","","96.674","0.001","90","","506.96","0.02","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cu O8 -","- C6 H14 Cu O8 -","- C12 H28 Cu2 O16 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley","Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries","Inorganic Chemistry","2011","50","","4900","4916","10.1021/ic200554f","","","0.7107","MoKα","","0.0217","0.022","","0.022","","0.022","","","1.969","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325328","20.9711","0.0002","20.3806","0.0002","21.1365","0.0002","90","","112.854","0.001","90","","8324.64","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H126 Li Mg N7 Si6 -","- C72 H126 Li Mg N7 Si6 -","- C288 H504 Li4 Mg4 N28 Si24 -","4","1","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.0892","0.0551","","","0.1249","0.1447","","","","","","1.06","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325329","20.7615","0.0004","21.1624","0.0005","21.1223","0.0003","90","","113.902","0.002","90","","8484.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H126 Mg N7 Na Si6 -","- C72 H126 Mg N7 Na Si6 -","- C288 H504 Mg4 N28 Na4 Si24 -","4","1","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.1398","0.0718","","","0.1555","0.1967","","","","","","1.058","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325330","30.6548","0.0003","18.2165","0.0003","17.4146","0.0002","90","","120.376","0.001","90","","8389.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H126 K Mg N7 Si6 -","- C72 H126 K Mg N7 Si6 -","- C288 H504 K4 Mg4 N28 Si24 -","4","0.5","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.0801","0.0495","","","0.1136","0.1301","","","","","","1.012","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325331","17.7709","0.0002","22.5526","0.0003","23.9297","0.0003","71","0.001","81.627","0.001","85.231","0.001","8964.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C308.5 H530.5 Ca4 Li4 N28 Si24 -","- C308.5 H530.5 Ca4 Li4 N28 Si24 -","- C308.5 H530.5 Ca4 Li4 N28 Si24 -","1","0.5","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.1245","0.0708","","","0.1789","0.2216","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325332","20.841","0.0001","21.0592","0.0001","21.0259","0.0001","90","","112.907","0.0004","90","","8500.41","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H126 Ca N7 Na Si6 -","- C72 H126 Ca N7 Na Si6 -","- C288 H504 Ca4 N28 Na4 Si24 -","4","1","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.0686","0.0485","","","0.116","0.1325","","","","","","1.065","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325333","30.4315","0.0005","18.4286","0.0003","17.3923","0.0002","90","","119.303","0.001","90","","8505.7","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H126 Ca K N7 Si6 -","- C72 H126 Ca K N7 Si6 -","- C288 H504 Ca4 K4 N28 Si24 -","4","0.5","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.0662","0.0494","","","0.1233","0.1384","","","","","","1.038","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325334","15.9859","0.0002","29.3812","0.0005","37.629","0.0006","90","","90","","90","","17673.8","0.5","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C295 H512 N28 Na4 Si24 Sr4 -","- C295 H512 N28 Na4 Si24 Sr4 -","- C590 H1024 N56 Na8 Si48 Sr8 -","2","0.25","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.1664","0.0647","","","0.1304","0.1664","","","","","","1.015","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325335","16.9014","0.0001","18.9436","0.0001","28.961","0.0002","90","","96.669","0.001","90","","9209.8","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H134 K N7 Si6 Sr -","- C79 H134 K N7 Si6 Sr -","- C316 H536 K4 N28 Si24 Sr4 -","4","1","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.0803","0.0476","","","0.105","0.121","","","","","","1.013","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325336","16.9015","0.0001","19.0122","0.0002","29.1601","0.0003","90","","97.577","0.001","90","","9288.34","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H134 Ba K N7 Si6 -","- C79 H134 Ba K N7 Si6 -","- C316 H536 Ba4 K4 N28 Si24 -","4","1","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.1178","0.0499","","","0.1035","0.1258","","","","","","1.016","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325337","13.3786","0.0001","17.3987","0.0002","21.1682","0.0002","90","","102.164","0.001","90","","4816.7","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H140 K2 N6 Si4 -","- C94 H140 K2 N6 Si4 -","- C188 H280 K4 N12 Si8 -","2","0.5","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.0722","0.0517","","","0.1258","0.1403","","","","","","1.022","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325338","11.093","0.003","9.6426","0.0014","10.1338","0.0018","90","","114.335","0.009","90","","987.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 O11 Sm -","- C3 O11 Sm -","- C12 O44 Sm4 -","4","1","","Tian-Fu Liu; Wenjuan Zhang; Wen-Hua Sun; Rong Cao","Conjugated Ligands Modulated Sandwich Structures and Luminescence Properties of Lanthanide Metal-Organic Frameworks","Inorganic Chemistry","2011","50","","5242","5248","10.1021/ic200579j","","","0.71073","MoKα","","0.0498","0.0357","","","0.0749","0.0808","","","","","","1.027","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325339","33.803","0.008","8.8976","0.0009","19.658","0.005","90","","115.975","0.009","90","","5315","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H16 N6 O41 Sm4 -","- C38 H16 N6 O41 Sm4 -","- C152 H64 N24 O164 Sm16 -","4","0.5","","Tian-Fu Liu; Wenjuan Zhang; Wen-Hua Sun; Rong Cao","Conjugated Ligands Modulated Sandwich Structures and Luminescence Properties of Lanthanide Metal-Organic Frameworks","Inorganic Chemistry","2011","50","","5242","5248","10.1021/ic200579j","","","0.71073","MoKα","","0.0542","0.0409","","","0.0969","0.1074","","","","","","1.113","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325340","33.805","0.006","8.8706","0.0008","19.596","0.003","90","","116.174","0.006","90","","5273.7","1.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H16 Cu0 Eu4 N6 O41 -","- C38 H16 Eu4 N6 O41 -","- C152 H64 Eu16 N24 O164 -","4","0.5","","Tian-Fu Liu; Wenjuan Zhang; Wen-Hua Sun; Rong Cao","Conjugated Ligands Modulated Sandwich Structures and Luminescence Properties of Lanthanide Metal-Organic Frameworks","Inorganic Chemistry","2011","50","","5242","5248","10.1021/ic200579j","","","0.71073","MoKα","","0.0614","0.0346","","","0.0864","0.1118","","","","","","1.109","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325341","33.733","0.003","8.8519","0.0003","19.5382","0.0015","90","","116.318","0.003","90","","5229.4","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H16 Gd4 N6 O41 -","- C38 H16 Gd4 N6 O41 -","- C152 H64 Gd16 N24 O164 -","4","0.5","","Tian-Fu Liu; Wenjuan Zhang; Wen-Hua Sun; Rong Cao","Conjugated Ligands Modulated Sandwich Structures and Luminescence Properties of Lanthanide Metal-Organic Frameworks","Inorganic Chemistry","2011","50","","5242","5248","10.1021/ic200579j","","","0.71073","MoKα","","0.0611","0.0362","","","0.101","0.1393","","","","","","1.13","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325342","14.018","0.0004","8.8","0.0002","19.9447","0.0005","90","","107.747","0.003","90","","2343.26","0.11","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Fe I N O3 P -","- C25 H19 Fe I N O3 P -","- C100 H76 Fe4 I4 N4 O12 P4 -","4","1","","Dafa Chen; Annegret Ahrens-Botzong; Volker Schünemann; Rosario Scopelliti; Xile Hu","Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2011","50","","5249","5257","10.1021/ic200580z","","","0.71073","MoKα","","0.0285","0.0202","","","0.0432","0.0451","","","","","","1.014","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325343","12.1692","0.0007","15.9364","0.0008","14.6654","0.0009","90","","107.473","0.006","90","","2712.9","0.3","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Fe I N O3 P -","- C31 H23 Fe I N O3 P -","- C124 H92 Fe4 I4 N4 O12 P4 -","4","1","","Dafa Chen; Annegret Ahrens-Botzong; Volker Schünemann; Rosario Scopelliti; Xile Hu","Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2011","50","","5249","5257","10.1021/ic200580z","","","0.71073","MoKα","","0.0496","0.0304","","","0.0657","0.0698","","","","","","0.991","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325344","7.4955","0.0001","16.4875","0.0004","14.0187","0.0003","90","","95.249","0.0017","90","","1725.19","0.06","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Fe I N O3 P -","- C14 H21 Fe I N O3 P -","- C56 H84 Fe4 I4 N4 O12 P4 -","4","1","","Dafa Chen; Annegret Ahrens-Botzong; Volker Schünemann; Rosario Scopelliti; Xile Hu","Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2011","50","","5249","5257","10.1021/ic200580z","","","0.71073","MoKα","","0.0331","0.0246","","","0.0531","0.0552","","","","","","1.035","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325345","11.0759","0.0019","11.5177","0.0014","15.082","0.002","71.085","0.012","78.739","0.013","66.159","0.014","1660.2","0.5","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H34 Cl2 Fe N O3 P S -","- C36 H34 Cl2 Fe N O3 P S -","- C72 H68 Cl4 Fe2 N2 O6 P2 S2 -","2","1","","Dafa Chen; Annegret Ahrens-Botzong; Volker Schünemann; Rosario Scopelliti; Xile Hu","Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2011","50","","5249","5257","10.1021/ic200580z","","","0.71073","MoKα","","0.2171","0.1128","","","0.2409","0.2821","","","","","","0.93","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325346","15.649","0.003","13.89","0.002","14.8057","0.0013","90","","102.833","0.01","90","","3137.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Fe N O3 P S -","- C35 H32 Fe N O3 P S -","- C140 H128 Fe4 N4 O12 P4 S4 -","4","1","","Dafa Chen; Annegret Ahrens-Botzong; Volker Schünemann; Rosario Scopelliti; Xile Hu","Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2011","50","","5249","5257","10.1021/ic200580z","","","0.71073","MoKα","","0.0997","0.0653","","","0.139","0.1563","","","","","","1.191","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325347","8.7884","0.0008","19.78","0.002","17.558","0.003","90","","103.934","0.008","90","","2962.4","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl2 Fe I N O3 P S -","- C27 H23 Cl2 Fe I N O3 P S -","- C108 H92 Cl8 Fe4 I4 N4 O12 P4 S4 -","4","1","","Dafa Chen; Annegret Ahrens-Botzong; Volker Schünemann; Rosario Scopelliti; Xile Hu","Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2011","50","","5249","5257","10.1021/ic200580z","","","0.71073","MoKα","","0.0747","0.0619","","","0.1595","0.1668","","","","","","1.302","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325348","8.7114","0.0015","14.042","0.003","15.126","0.003","109.47","0.017","92.157","0.015","107.654","0.014","1642.4","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C27 H23 Cl2 Fe I N O3 P S -","- C27 H23 Cl2 Fe I N O3 P S -","- C54 H46 Cl4 Fe2 I2 N2 O6 P2 S2 -","2","1","","Dafa Chen; Annegret Ahrens-Botzong; Volker Schünemann; Rosario Scopelliti; Xile Hu","Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2011","50","","5249","5257","10.1021/ic200580z","","","0.71073","MoKα","","0.1148","0.0807","","","0.1879","0.2017","","","","","","1.323","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325349","11.6427","0.0003","14.8175","0.0005","14.9136","0.0005","76.11","0.003","76.397","0.003","81.47","0.003","2416","0.14","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H45 F6 Fe N4 O2 P3 S -","- C50 H45 F6 Fe N4 O2 P3 S -","- C100 H90 F12 Fe2 N8 O4 P6 S2 -","2","1","","Dafa Chen; Annegret Ahrens-Botzong; Volker Schünemann; Rosario Scopelliti; Xile Hu","Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2011","50","","5249","5257","10.1021/ic200580z","","","0.71073","MoKα","","0.0697","0.0441","","","0.0983","0.1044","","","","","","1.037","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325350","7.5304","0.0009","17.855","0.002","13.8288","0.0015","90","","95.161","0.01","90","","1851.8","0.4","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Fe I N2 O3 S -","- C17 H13 Fe I N2 O3 S -","- C68 H52 Fe4 I4 N8 O12 S4 -","4","1","","Dafa Chen; Annegret Ahrens-Botzong; Volker Schünemann; Rosario Scopelliti; Xile Hu","Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2011","50","","5249","5257","10.1021/ic200580z","","","0.71073","MoKα","","0.0706","0.0567","","","0.1521","0.1607","","","","","","1.02","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325351","14.0059","0.0003","14.0059","0.0003","19.138","0.0008","90","","90","","90","","3754.21","0.19","120.15","","120.15","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C12 H22 Cl4 N4 Zn -","- C12 H22 Cl4 N4 Zn -","- C96 H176 Cl32 N32 Zn8 -","8","","","Julien Estager; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Sophie Tyrrell","Validation of Speciation Techniques: A Study of Chlorozincate(II) Ionic Liquids","Inorganic Chemistry","2011","50","","5258","5271","10.1021/ic200586u","","","0.71073","MOKα","","0.0546","0.0383","","","0.0714","0.0798","","","","","","1.065","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325352","7.7175","0.0001","17.1624","0.0005","8.8476","0.0002","90","","109.393","0.002","90","","1105.38","0.05","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl3 N2 Zn -","- C6 H11 Cl3 N2 Zn -","- C24 H44 Cl12 N8 Zn4 -","4","1","","Julien Estager; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Sophie Tyrrell","Validation of Speciation Techniques: A Study of Chlorozincate(II) Ionic Liquids","Inorganic Chemistry","2011","50","","5258","5271","10.1021/ic200586u","","","0.71073","MOKα","","0.0284","0.022","","","0.068","0.0923","","","","","","1.389","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325353","16.6552","0.0004","9.2453","0.0002","17.9079","0.0004","90","","107.508","0.001","90","","2629.76","0.1","120.15","","120.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H11 Cl13 N2 Zn6 -","- C6 H11 Cl13 N2 Zn6 -","- C24 H44 Cl52 N8 Zn24 -","4","1","","Julien Estager; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Sophie Tyrrell","Validation of Speciation Techniques: A Study of Chlorozincate(II) Ionic Liquids","Inorganic Chemistry","2011","50","","5258","5271","10.1021/ic200586u","","","0.71073","MOKα","","0.0416","0.0316","","","0.079","0.0922","","","","","","0.992","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325354","12.5042","0.0014","23.884","0.003","17.9","0.002","90","","94.77","0.002","90","","5327.3","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H51 Bi2 Mn6 N3 O38 -","- C30 H51 Bi2 Mn6 N3 O38 -","- C120 H204 Bi8 Mn24 N12 O152 -","4","1","","Theocharis C. Stamatatos; Katie Oliver; Khalil A. Abboud; George Christou","Synthetic Entry into Polynuclear Bismuth-Manganese Chemistry: High Oxidation State BiIII2MnIV6 and BiIIIMnIII10 Complexes","Inorganic Chemistry","2011","50","","5272","5282","10.1021/ic200656q","","","0.71073","MoKα","","0.0494","0.0332","","","0.0722","0.077","","","","","","0.968","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325355","26.2209","0.0015","26.2209","0.0015","26.591","0.003","90","","90","","90","","18282","3","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C76.5 H63.5 Bi2 Cl4 Mn6 N7.5 O38.5 -","- C67.2 H48 Bi2 Mn6 N3.4 O38.4 -","- C537.6 H384 Bi16 Mn48 N27.2 O307.2 -","8","1","","Theocharis C. Stamatatos; Katie Oliver; Khalil A. Abboud; George Christou","Synthetic Entry into Polynuclear Bismuth-Manganese Chemistry: High Oxidation State BiIII2MnIV6 and BiIIIMnIII10 Complexes","Inorganic Chemistry","2011","50","","5272","5282","10.1021/ic200656q","","","0.71073","MoKα","","0.0997","0.074","","","0.154","0.1647","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325356","16.8942","0.0014","25.356","0.002","35.234","0.003","90","","92.064","0.002","90","","15083","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C168 H128 Bi Mn10 O57 -","- C126 H90 Bi Mn10 O45 -","- C504 H360 Bi4 Mn40 O180 -","4","1","","Theocharis C. Stamatatos; Katie Oliver; Khalil A. Abboud; George Christou","Synthetic Entry into Polynuclear Bismuth-Manganese Chemistry: High Oxidation State BiIII2MnIV6 and BiIIIMnIII10 Complexes","Inorganic Chemistry","2011","50","","5272","5282","10.1021/ic200656q","","","0.71073","MoKα","","0.1669","0.0657","","","0.163","0.1844","","","","","","0.729","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4325357","17.5521","0.0019","19.1663","0.0019","32.687","0.004","90","","98.161","0.004","90","","10885","2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","U(V)(OSiPh3)(OBCF)(AcNac)2","","- C125.5 H115 B F15 N2 O4 Si U -","- C125.5 H79 B F15 N2 O4 Si U -","- C502 H316 B4 F60 N8 O16 Si4 U4 -","4","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Borane-Mediated Silylation of a Metal-Oxo Ligand","Inorganic Chemistry","2011","50","","4695","4697","10.1021/ic2008649","","","0.71073","MoKα","","0.2012","0.1051","","","0.219","0.2702","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325358","16.581","0.002","30.018","0.004","20.994","0.003","90","","90.449","0.004","90","","10449","2","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C116 H117 B Co F15 N2 O4 Si U -","- C116 H89 B Co F15 N2 O4 Si U -","- C464 H356 B4 Co4 F60 N8 O16 Si4 U4 -","4","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Borane-Mediated Silylation of a Metal-Oxo Ligand","Inorganic Chemistry","2011","50","","4695","4697","10.1021/ic2008649","","","0.71073","MoKα","","0.1895","0.1336","","","0.2331","0.2542","","","","","","1.293","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325359","17.2235","0.0018","21.909","0.002","16.217","0.003","90","","115.963","0.003","90","","5501.9","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 B S3 n2 -","- C30 H24.666 B N2 S3 -","- C240 H197.328 B8 N16 S24 -","8","1","","Kibong Kim; Shin Hei Choi; June Jeon; Hyosun Lee; Jung Oh Huh; Jaeduk Yoo; Jong Taek Kim; Chang-Hee Lee; Yoon Sup Lee; David G. Churchill","Control of On-Off or Off-On Fluorescent and Optical [Cu2+] and [Hg2+] Responses via Formal Me/H Substitution in Fully Characterized Thienyl ""Scorpionate""-like BODIPY Systems","Inorganic Chemistry","2011","50","","5351","5360","10.1021/ic101681h","","","0.71073","MoKα","","0.1004","0.0446","","","0.1255","0.1654","","","","","","1.139","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325360","8.5287","0.0006","9.1106","0.0007","30.02","0.002","90","","95.135","0.005","90","","2323.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B S3 n2 -","- C27 H19 B N2 S3 -","- C108 H76 B4 N8 S12 -","4","1","","Kibong Kim; Shin Hei Choi; June Jeon; Hyosun Lee; Jung Oh Huh; Jaeduk Yoo; Jong Taek Kim; Chang-Hee Lee; Yoon Sup Lee; David G. Churchill","Control of On-Off or Off-On Fluorescent and Optical [Cu2+] and [Hg2+] Responses via Formal Me/H Substitution in Fully Characterized Thienyl ""Scorpionate""-like BODIPY Systems","Inorganic Chemistry","2011","50","","5351","5360","10.1021/ic101681h","","","0.71073","MoKα","","0.1377","0.0905","","","0.2603","0.3012","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325361","9.3","0.0003","11.3914","0.0003","14.3271","0.0004","72.425","0.0002","82.6184","0.0003","68.1805","0.0003","1343.08","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 P Rh n -","- C33 H35 N P Rh -","- C66 H70 N2 P2 Rh2 -","2","1","","Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie","Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium","Inorganic Chemistry","2011","50","","5361","5378","10.1021/ic101883u","","","0.71073","MoKα","","0.019","0.0186","","","0.0504","0.0507","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325362","15.1371","0.0017","11.9719","0.0014","12.1833","0.0014","90","","96.598","0.001","90","","2193.2","0.4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C49 H64 O P2 Rh2 n4 -","- C49 H64 N4 O P2 Rh2 -","- C98 H128 N8 O2 P4 Rh4 -","2","0.5","","Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie","Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium","Inorganic Chemistry","2011","50","","5361","5378","10.1021/ic101883u","","","0.71073","MoKα","","0.0279","0.0275","","","0.0669","0.067","","","","","","1.212","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325363","11.4776","0.0003","13.9888","0.0004","14.1445","0.0004","93.0113","0.0003","105.102","0.0003","108.5","0.0003","2056.47","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 O P3 Rh n -","- C49 H49 N O P3 Rh -","- C98 H98 N2 O2 P6 Rh2 -","2","1","","Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie","Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium","Inorganic Chemistry","2011","50","","5361","5378","10.1021/ic101883u","","","0.71073","MoKα","","0.0257","0.0236","","","0.064","0.0655","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325364","10.6143","0.0011","25.953","0.003","18.329","0.002","90","","97.0481","0.0012","90","","5011","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 O2 P3 Rh n -","- C59.9999 H55.9999 N O2 P3 Rh -","- C240 H224 N4 O8 P12 Rh4 -","4","1","","Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie","Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium","Inorganic Chemistry","2011","50","","5361","5378","10.1021/ic101883u","","","0.71073","MoKα","","0.0502","0.0432","","","0.1122","0.1159","","","","","","1.126","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325365","16.0575","0.0009","14.3966","0.0008","23.1868","0.0013","90","","91.6909","0.0007","90","","5357.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 I O3 P3 Rh n -","- C58 H70 I N O3 P3 Rh -","- C232 H280 I4 N4 O12 P12 Rh4 -","4","1","","Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie","Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium","Inorganic Chemistry","2011","50","","5361","5378","10.1021/ic101883u","","","0.71073","MoKα","","0.0406","0.0306","","","0.0795","0.0884","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325366","14.4151","0.0005","15.3563","0.0005","22.503","0.0008","90","","90","","90","","4981.3","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H60 B2 Cl2 F8 P2 Rh2 n4 -","- C48 H60 B2 Cl2 F8 N4 P2 Rh2 -","- C192 H240 B8 Cl8 F32 N16 P8 Rh8 -","4","1","","Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie","Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium","Inorganic Chemistry","2011","50","","5361","5378","10.1021/ic101883u","","","0.71073","MoKα","","0.0262","0.0249","","","0.0625","0.0632","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325367","10.0204","0.0005","13.4944","0.0007","21.7084","0.0011","105.821","0.0006","90.9298","0.0006","103.704","0.0006","2733.5","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H30 F3 O3 P Rh S n -","- C28 H30 F3 N O3 P Rh S -","- C112 H120 F12 N4 O12 P4 Rh4 S4 -","4","2","","Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie","Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium","Inorganic Chemistry","2011","50","","5361","5378","10.1021/ic101883u","","","0.71073","MoKα","","0.0456","0.0396","","","0.0888","0.0918","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325368","7.6232","0.0002","8.4654","0.0002","11.843","0.0003","90.7883","0.0013","95.1188","0.0015","92.0589","0.0016","760.62","0.03","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Cl O3 Re n3 -","- C15 H9 Cl N3 O3 Re -","- C30 H18 Cl2 N6 O6 Re2 -","2","1","","Biing-Chiau Tzeng; Bo-So Chen; Chang-Kai Chen; Yuan-Ping Chang; Wen-Chian Tzeng; Tsung-Yi Lin; Gene-Hsiang Lee; Pi-Tai Chou; Yu-Jie Fu; A. Hsiu-Hua Chang","pH-Dependent Spectroscopic and Luminescent Properties, and Metal-Ion Recognition Studies of Re(I) Complexes Containing 2-(2'-Pyridyl)benzimidazole and 2-(2'-Pyridyl)benzimidazolate","Inorganic Chemistry","2011","50","","5379","5388","10.1021/ic1019058","","","0.71073","MoKα","","0.0537","0.0375","","","0.0753","0.0806","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325369","6.9427","0.0001","14.2672","0.0002","19.3829","0.0003","90","","99.8492","0.0007","90","","1891.64","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 Re n3 -","- C19 H18 N3 O5 Re -","- C76 H72 N12 O20 Re4 -","4","1","","Biing-Chiau Tzeng; Bo-So Chen; Chang-Kai Chen; Yuan-Ping Chang; Wen-Chian Tzeng; Tsung-Yi Lin; Gene-Hsiang Lee; Pi-Tai Chou; Yu-Jie Fu; A. Hsiu-Hua Chang","pH-Dependent Spectroscopic and Luminescent Properties, and Metal-Ion Recognition Studies of Re(I) Complexes Containing 2-(2'-Pyridyl)benzimidazole and 2-(2'-Pyridyl)benzimidazolate","Inorganic Chemistry","2011","50","","5379","5388","10.1021/ic1019058","","","0.71073","MoKα","","0.0453","0.0285","","","0.0573","0.0617","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325370","10.7751","0.0002","11.4767","0.0002","14.81","0.0003","79.0817","0.0012","75.7238","0.001","82.9814","0.0012","1737.26","0.06","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C34 H25 Au Cl2 O6 P Re n4 -","- C34 H25 Au Cl2 N4 O6 P Re -","- C68 H50 Au2 Cl4 N8 O12 P2 Re2 -","2","1","","Biing-Chiau Tzeng; Bo-So Chen; Chang-Kai Chen; Yuan-Ping Chang; Wen-Chian Tzeng; Tsung-Yi Lin; Gene-Hsiang Lee; Pi-Tai Chou; Yu-Jie Fu; A. Hsiu-Hua Chang","pH-Dependent Spectroscopic and Luminescent Properties, and Metal-Ion Recognition Studies of Re(I) Complexes Containing 2-(2'-Pyridyl)benzimidazole and 2-(2'-Pyridyl)benzimidazolate","Inorganic Chemistry","2011","50","","5379","5388","10.1021/ic1019058","","","0.71073","MoKα","","0.0602","0.0386","","","0.0905","0.1034","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325371","12.95","0.002","13.243","0.002","14.05","0.003","61.944","0.002","89.385","0.004","84.796","0.003","2116.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H58 Au4 O12 P4 Re2 n8 -","- C80 H58 Au4 N8 O12 P4 Re2 -","- C80 H58 Au4 N8 O12 P4 Re2 -","1","0.5","","Biing-Chiau Tzeng; Bo-So Chen; Chang-Kai Chen; Yuan-Ping Chang; Wen-Chian Tzeng; Tsung-Yi Lin; Gene-Hsiang Lee; Pi-Tai Chou; Yu-Jie Fu; A. Hsiu-Hua Chang","pH-Dependent Spectroscopic and Luminescent Properties, and Metal-Ion Recognition Studies of Re(I) Complexes Containing 2-(2'-Pyridyl)benzimidazole and 2-(2'-Pyridyl)benzimidazolate","Inorganic Chemistry","2011","50","","5379","5388","10.1021/ic1019058","","","0.71073","MoKα","","0.0505","0.0433","","","0.1036","0.1062","","","","","","1.119","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325372","9.8037","0.0014","13.673","0.002","16.067","0.002","95.118","0.003","95.479","0.003","98.792","0.003","2106.9","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H34 Br6 Eu2 F18 O12 S6 n4 -","- C72 H34 Br6 Eu2 F18 N4 O12 S6 -","- C72 H34 Br6 Eu2 F18 N4 O12 S6 -","1","0.5","","Christelle Freund; William Porzio; Umberto Giovanella; Francesco Vignali; Mariacecilia Pasini; Silvia Destri; Agnieszka Mech; Sebastiano Di Pietro; Lorenzo Di Bari; Placido Mineo","Thiophene Based Europium β-Diketonate Complexes: Effect of the Ligand Structure on the Emission Quantum yield","Inorganic Chemistry","2011","50","","5417","5429","10.1021/ic1021164","","","0.71073","MoKα","","0.0768","0.0576","","","0.1562","0.1755","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325373","12.039","0.008","30.28","0.02","14.916","0.011","90","","93.89","0.04","90","","5425","6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 Eu O8 S6 n2 -","- C53 H37 Eu N2 O8 S6 -","- C212 H148 Eu4 N8 O32 S24 -","4","1","","Christelle Freund; William Porzio; Umberto Giovanella; Francesco Vignali; Mariacecilia Pasini; Silvia Destri; Agnieszka Mech; Sebastiano Di Pietro; Lorenzo Di Bari; Placido Mineo","Thiophene Based Europium β-Diketonate Complexes: Effect of the Ligand Structure on the Emission Quantum yield","Inorganic Chemistry","2011","50","","5417","5429","10.1021/ic1021164","","","0.71073","MoKα","","0.1558","0.0582","","","0.122","0.1595","","","","","","0.968","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325374","37.363","0.016","10.536","0.005","30.808","0.013","90","","106.842","0.014","90","","11608","9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H32 Eu F9 O6 S6 n2 -","- C51 H32 Eu F9 N2 O6 S6 -","- C408 H256 Eu8 F72 N16 O48 S48 -","8","1","","Christelle Freund; William Porzio; Umberto Giovanella; Francesco Vignali; Mariacecilia Pasini; Silvia Destri; Agnieszka Mech; Sebastiano Di Pietro; Lorenzo Di Bari; Placido Mineo","Thiophene Based Europium β-Diketonate Complexes: Effect of the Ligand Structure on the Emission Quantum yield","Inorganic Chemistry","2011","50","","5417","5429","10.1021/ic1021164","","","0.71073","MoKα","","0.1961","0.1658","","","0.3633","0.381","","","","","","1.308","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325375","10.2423","0.0002","13.9037","0.0002","15.1281","0.0002","98.309","0.001","103.044","0.001","95.233","0.001","2059.51","0.06","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-fluorophenylethynyl)[2-(2'-thienyl)pyridine]gold(III)","","- C25 H14 Au F2 S n -","- C25 H14 Au F2 N S -","- C100 H56 Au4 F8 N4 S4 -","4","2","","Jai Anand Garg; Olivier Blacque; Koushik Venkatesan","Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes","Inorganic Chemistry","2011","50","","5430","5441","10.1021/ic102216v","","","0.71073","MoKα","","0.0297","0.0233","","","0.0536","0.0547","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325376","10.4792","0.0002","18.0604","0.0002","11.6604","0.0002","90","","109.518","0.002","90","","2080.02","0.06","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(phenylethynyl)[2-(2'-pyridyl)phenyl]gold(III)","","- C27 H18 Au n -","- C27 H18 Au N -","- C108 H72 Au4 N4 -","4","1","","Jai Anand Garg; Olivier Blacque; Koushik Venkatesan","Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes","Inorganic Chemistry","2011","50","","5430","5441","10.1021/ic102216v","","","0.71073","MoKα","","0.0312","0.021","","","0.0446","0.0459","","","","","","1.005","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325377","7.3589","0.0002","13.9624","0.0004","18.0915","0.0004","69.459","0.002","85.021","0.002","76.161","0.002","1690.14","0.08","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","Bis(trimethylsilylethynyl)[2-(2'-pyridyl)phenyl]gold(III)","","- C33 H50 Au Si2 n -","- C33 H50 Au N Si2 -","- C66 H100 Au2 N2 Si4 -","2","1","","Jai Anand Garg; Olivier Blacque; Koushik Venkatesan","Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes","Inorganic Chemistry","2011","50","","5430","5441","10.1021/ic102216v","","","0.71073","MoKα","","0.0387","0.0269","","","0.0436","0.0447","","","","","","0.909","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325378","17.169","0.0002","13.304","0.0001","18.4488","0.0001","90","","90","","90","","4214.01","0.06","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(phenylethynyl)(4a,10b-dihydrobenzo[h]quinolin-10-yl)gold(III)","","- C29 H18 Au n -","- C29 H18 Au N -","- C232 H144 Au8 N8 -","8","1","","Jai Anand Garg; Olivier Blacque; Koushik Venkatesan","Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes","Inorganic Chemistry","2011","50","","5430","5441","10.1021/ic102216v","","","0.71073","MoKα","","0.0463","0.0236","","","0.0477","0.05","","","","","","0.921","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325379","12.1145","0.0001","17.9931","0.0001","22.1153","0.0002","90","","99.232","0.001","90","","4758.19","0.07","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(4-fluorophenylethynyl)[2-(2'-(5-methylthienyl)pyridine]gold(III) dichloromethane solvate","","- C53 H34 Au2 Cl2 F4 S2 n2 -","- C53 H34 Au2 Cl2 F4 N2 S2 -","- C212 H136 Au8 Cl8 F16 N8 S8 -","4","1","","Jai Anand Garg; Olivier Blacque; Koushik Venkatesan","Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes","Inorganic Chemistry","2011","50","","5430","5441","10.1021/ic102216v","","","0.71073","MoKα","","0.0405","0.0243","","","0.0401","0.0416","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325380","12.0324","0.0002","14.0679","0.0003","14.971","0.0003","77.398","0.002","71.229","0.002","72.866","0.002","2271.46","0.08","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Bis(3,4,5-trimethoxyphenylethynyl)[2-(2'-pyridyl)phenyl]gold(III)","","- C55 H34 Au2 Cl2 F4 n2 -","- C55 H34 Au2 Cl2 F4 N2 -","- C110 H68 Au4 Cl4 F8 N4 -","2","1","","Jai Anand Garg; Olivier Blacque; Koushik Venkatesan","Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes","Inorganic Chemistry","2011","50","","5430","5441","10.1021/ic102216v","","","0.71073","MoKα","","0.0401","0.0228","","","0.0357","0.0369","","","","","","0.847","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325381","8.1641","0.0001","12.4453","0.0002","14.3191","0.0002","93.756","0.001","90.607","0.001","101.769","0.001","1420.82","0.04","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-fluorophenylethynyl)[2-(2'-pyridyl)phenyl]gold(III) dichloromethane solvate","","- C33 H30 Au O6 n -","- C33 H30 Au N O6 -","- C66 H60 Au2 N2 O12 -","2","1","","Jai Anand Garg; Olivier Blacque; Koushik Venkatesan","Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes","Inorganic Chemistry","2011","50","","5430","5441","10.1021/ic102216v","","","0.71073","MoKα","","0.0192","0.0157","","","0.0361","0.0364","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325382","9.0906","0.0008","27.982","0.002","9.9025","0.0008","90","","115.299","0.001","90","","2277.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H40 Cl Fe P4 n3.5 -","- C12 H37 Cl Fe N2 P4 -","- C48 H148 Cl4 Fe4 N8 P16 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Paul Jensen; Ruaraidh D. McIntosh","Synthesis and Characterization of Iron(II) and Ruthenium(II) Hydrido Hydrazine Complexes","Inorganic Chemistry","2011","50","","5468","5476","10.1021/ic102519f","","","0.71073","MoKα","","0.0304","0.0264","","","0.0701","0.0718","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325383","16.404","0.003","9.0876","0.0014","17.938","0.002","90","","121.583","0.012","90","","2278","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H41 Cl Fe P4 n4 -","- C12 H35 Cl Fe N4 P4 -","- C48 H140 Cl4 Fe4 N16 P16 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Paul Jensen; Ruaraidh D. McIntosh","Synthesis and Characterization of Iron(II) and Ruthenium(II) Hydrido Hydrazine Complexes","Inorganic Chemistry","2011","50","","5468","5476","10.1021/ic102519f","","","0.71073","MoKα","","0.0649","0.0557","","","0.1295","0.1341","","","","","","1.18","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325384","13.252","0.003","18.373","0.004","15.893","0.004","90","","98.759","0.01","90","","3824.5","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","X83339","","","- C36 H57 B P4 Ru n2 -","- C36 H57 B N2 P4 Ru -","- C144 H228 B4 N8 P16 Ru4 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Paul Jensen; Ruaraidh D. McIntosh","Synthesis and Characterization of Iron(II) and Ruthenium(II) Hydrido Hydrazine Complexes","Inorganic Chemistry","2011","50","","5468","5476","10.1021/ic102519f","","","0.71073","MoKα","","0.0756","0.0391","","","0.0702","0.0802","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325385","55.286","0.005","55.286","0.005","20.523","0.002","90","","90","","120","","54325","9","125","2","125","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","U30a","","","- Ba15 O675 Rb29 U90 -","- Ba15 O675 Rb28.98 U90 -","- Ba45 O2025 Rb86.94 U270 -","3","0.166667","","Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns","Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra","Inorganic Chemistry","2011","50","","5509","5516","10.1021/ic200065y","","","0.71073","MoKα","","0.0479","0.0365","","","0.0919","0.0945","","","","","","1.01","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325386","19.522","0.002","34.155","0.005","38.237","0.004","90","","90","","90","","25495","5","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","U30Py6","","","- K24 O217 P12 U30 -","- K24 O217 P12 U30 -","- K96 O868 P48 U120 -","4","0.25","","Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns","Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra","Inorganic Chemistry","2011","50","","5509","5516","10.1021/ic200065y","","","0.71073","MoKα","","0.1075","0.0853","","","0.2318","0.245","","","","","","1.853","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325387","18.793","0.004","27.188","0.005","31.553","0.006","95.8","0.002","99.525","0.002","106.396","0.002","15066","5","373","2","373","2","","","","","","","","4","P -1","-P 1","2","U30Py12P1","","","- K17 O212 P25 U30 -","- K17 O212 P25 U30 -","- K34 O424 P50 U60 -","2","1","","Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns","Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra","Inorganic Chemistry","2011","50","","5509","5516","10.1021/ic200065y","","","0.71073","MoKα","","0.1833","0.1459","","","0.3756","0.3857","","","","","","2.297","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325388","26.3747","0.0016","35.341","0.002","39.674","0.003","90","","102.859","0.001","90","","36053","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","U42","","","- K6 Li3 O299 U42 -","- K6 Li3 O299 U42 -","- K24 Li12 O1196 U168 -","4","0.5","","Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns","Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra","Inorganic Chemistry","2011","50","","5509","5516","10.1021/ic200065y","","","0.71073","MoKα","","0.1206","0.0631","","","0.1552","0.1837","","","","","","1.025","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325389","26.605","0.011","26.605","0.011","33.08","0.03","90","","90","","120","","20278","2","100","2","100","2","","","","","","","","4","P 63/m","-P 6c","176","U42Py3","","","- K9 O317 P6 U42 -","- K9 O317 P6 U42 -","- K18 O634 P12 U84 -","2","0.166667","","Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns","Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra","Inorganic Chemistry","2011","50","","5509","5516","10.1021/ic200065y","","","0.71073","MoKα","","0.1372","0.0867","","","0.2934","0.3144","","","","","","2.095","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325390","13.6893","0.0006","31.9208","0.0012","15.4428","0.0006","90","","105.143","0.001","90","","6513.8","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C130 H150 Cl4 Ir4 O9 S4 n12 -","- C130 H150 Cl4 Ir4 N12 O9 S4 -","- C260 H300 Cl8 Ir8 N24 O18 S8 -","2","0.5","","Christopher S. Letko; Zachariah M. Heiden; Thomas B. Rauchfuss; Scott R. Wilson","Coordination Chemistry of the Soft Chiral Lewis Acid [Cp*Ir(TsDPEN)]+","Inorganic Chemistry","2011","50","","5558","5566","10.1021/ic200160q","","","0.71073","MoKα","","0.1257","0.0502","","","0.0842","0.1039","","","","","","0.987","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325391","13.1353","0.0014","17.4934","0.0019","16.7231","0.0018","90","","112.099","0.002","90","","3560.4","0.7","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl2 Ir O2 S2 n3 -","- C34 H43 Cl2 Ir N3 O2 S2 -","- C136 H172 Cl8 Ir4 N12 O8 S8 -","4","1","","Christopher S. Letko; Zachariah M. Heiden; Thomas B. Rauchfuss; Scott R. Wilson","Coordination Chemistry of the Soft Chiral Lewis Acid [Cp*Ir(TsDPEN)]+","Inorganic Chemistry","2011","50","","5558","5566","10.1021/ic200160q","","","0.71073","MoKα","","0.0601","0.0279","","","0.0569","0.0619","","","","","","0.914","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325392","15.1752","0.0003","12.5127","0.0002","17.3602","0.0003","90","","106.197","0.001","90","","3165.56","0.1","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl2 Ir O4 S n3 -","- C31 H36 Cl2 Ir N3 O4 S -","- C124 H144 Cl8 Ir4 N12 O16 S4 -","4","1","","Christopher S. Letko; Zachariah M. Heiden; Thomas B. Rauchfuss; Scott R. Wilson","Coordination Chemistry of the Soft Chiral Lewis Acid [Cp*Ir(TsDPEN)]+","Inorganic Chemistry","2011","50","","5558","5566","10.1021/ic200160q","","","0.71073","MoKα","","0.0358","0.0227","","","0.047","0.0513","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325393","12.3407","0.0002","18.3052","0.0003","15.0539","0.0003","90","","107.91","0.001","90","","3235.87","0.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ir O3 S n3 -","- C36 H40 Ir N3 O3 S -","- C144 H160 Ir4 N12 O12 S4 -","4","1","","Christopher S. Letko; Zachariah M. Heiden; Thomas B. Rauchfuss; Scott R. Wilson","Coordination Chemistry of the Soft Chiral Lewis Acid [Cp*Ir(TsDPEN)]+","Inorganic Chemistry","2011","50","","5558","5566","10.1021/ic200160q","","","0.71073","MoKα","","0.0473","0.0283","","","0.0537","0.0592","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325394","24.892","0.007","17.396","0.005","34.306","0.009","90","","94.079","0.004","90","","14818","7","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H84 Ir2 Mo O6 S6 n4 -","- C68 H84 Ir2 Mo N4 O6 S6 -","- C544 H672 Ir16 Mo8 N32 O48 S48 -","8","1","","Christopher S. Letko; Zachariah M. Heiden; Thomas B. Rauchfuss; Scott R. Wilson","Coordination Chemistry of the Soft Chiral Lewis Acid [Cp*Ir(TsDPEN)]+","Inorganic Chemistry","2011","50","","5558","5566","10.1021/ic200160q","","","0.71073","MoKα","","0.108","0.0524","","","0.1178","0.1264","","","","","","1.145","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325395","3.635306","0.000024","3.635306","","6.11257","0.00007","90","","90","","90","","80.7804","0.0011","298.15","","295","","","","","","","","","2","I 4/m m m","-I 4 2","139","Ytterbium Dicarbide","Ytterbium(II)- carbide","","- C2 yb -","- C2 Yb -","- C4 Yb2 -","2","0.0625","","Pascal Link; Pieter Glatzel; Kristina Kvashnina; Ronald I. Smith; Uwe Ruschewitz","Yb Valence States in ybC2: A HERFD-XANES Spectroscopic Investigation","Inorganic Chemistry","2011","50","","5587","5595","10.1021/ic200247z","powder diffraction","neutron","","","","","","","","","","","","2.08","","","","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325396","15.288","0.006","17.956","0.006","18.488","0.005","68.243","0.011","76.237","0.012","80.298","0.014","4560","3","120","","120","","","","","","","","","6","P -1","-P 1","2","[(C66H72N6O12)Zn6(EtCO2)5(OH)(H2O)]2_(CH2Cl2)2(MeOH)2(H2O)2(C6H14)","","","- C172 H230 Cl4 O52 Zn12 n12 -","- C172 H230 Cl4 N12 O52 Zn12 -","- C172 H230 Cl4 N12 O52 Zn12 -","1","0.5","","Masaki Yamamura; Hayato Miyazaki; Masaya Iida; Shigehisa Akine; Tatsuya Nabeshima","Nuclearity Control of a Trisaloph Zinc Cluster Complex Dependent on Minute Structural Differences in the Bridging Anions","Inorganic Chemistry","2011","50","","5315","5317","10.1021/ic2002833","","","0.71069","MoKα","","0.1662","0.0921","","","0.2042","0.2443","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325397","22.8951","0.0003","22.8951","0.0003","9.3454","0.0005","90","","90","","90","","4898.7","0.3","293","2","293","2","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","","","- C45 H49 N13 O25 Sn Zn2 -","- C42 H24 N8 O8 Sn Zn2 -","- C84 H48 N16 O16 Sn2 Zn4 -","2","0.125","","Ming-Hua Xie; Xiu-Li Yang; Chao Zou; Chuan-De Wu","A SnIV-Porphyrin-Based Metal-Organic Framework for the Selective Photo-Oxygenation of Phenol and Sulfides","Inorganic Chemistry","2011","50","","5318","5320","10.1021/ic200295h","","","0.71073","MoKα","","0.1173","0.0899","","","0.2271","0.2416","","","","","","1.018","","","","has coordinates","184237","2020-10-21","18:00:00",""
"4325398","7.78","0.001","5.723","0.005","14.27","0.009","90","","95.05","0.02","90","","632.9","0.7","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C36 H28 N4 -","2","1","","Sumanta Kumar Padhi; Katsuaki Kobayashi; Shinya Masuno; Koji Tanaka","Proton-Induced Dynamic Equilibrium between Cyclometalated Ruthenium rNHC (Remote n-Heterocyclic Carbene) Tautomers with an NAD+/NADH Function","Inorganic Chemistry","2011","50","","5321","5323","10.1021/ic200315f","","","0.7107","MoKα","","0.0562","0.0561","","","0.1248","0.1248","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325399","11.71","0.05","12.24","0.04","12.24","0.04","74.7","0.3","64.65","0.06","64.65","0.06","1426","9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 F6 N6 P Ru -","- C26 H24 F6 N6 P Ru -","- C52 H48 F12 N12 P2 Ru2 -","2","1","","Sumanta Kumar Padhi; Katsuaki Kobayashi; Shinya Masuno; Koji Tanaka","Proton-Induced Dynamic Equilibrium between Cyclometalated Ruthenium rNHC (Remote n-Heterocyclic Carbene) Tautomers with an NAD+/NADH Function","Inorganic Chemistry","2011","50","","5321","5323","10.1021/ic200315f","","","0.7107","MoKα","","0.0629","0.0629","","","0.1611","0.1611","","","","","","1.011","","","","has coordinates","190308","2020-10-21","18:00:00",""
"4325400","32.92","0.03","16.35","0.012","16.628","0.013","90","","110.533","0.011","90","","8381","12","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 Cl2 N6 O10 Ru -","- C38 H48 Cl2 N6 O10 Ru -","- C304 H384 Cl16 N48 O80 Ru8 -","8","1","","Sumanta Kumar Padhi; Katsuaki Kobayashi; Shinya Masuno; Koji Tanaka","Proton-Induced Dynamic Equilibrium between Cyclometalated Ruthenium rNHC (Remote n-Heterocyclic Carbene) Tautomers with an NAD+/NADH Function","Inorganic Chemistry","2011","50","","5321","5323","10.1021/ic200315f","","","0.7107","MoKα","","0.0306","0.0306","","","0.0941","0.0941","","","","","","1.063","","","","has coordinates","190305","2020-10-21","18:00:00",""
"4325401","18.424","0.0012","24.6645","0.0015","24.1746","0.0015","90","","109.349","0.001","90","","10364.9","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H63 Cl4 Fe14 O31 -","- C76 H63 Cl4 Fe14 O31 -","- C304 H252 Cl16 Fe56 O124 -","4","1","","Antonio Masello; Yiannis Sanakis; Athanassios K. Boudalis; Khalil A. Abboud; George Christou","Iron(III) Chemistry with Ferrocene-1,1'-dicarboxylic Acid (fdcH2): An Fe7 Cluster with an Oxidized fdc-Ligand","Inorganic Chemistry","2011","50","","5646","5654","10.1021/ic200348s","","","0.71073","MoKα","","0.0933","0.0406","","","0.0831","0.0859","","","","","","0.702","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325402","12.0624","0.0001","13.6868","0.0001","20.1758","0.0003","77.1","0.001","87.298","0.001","72.081","0.001","3088.54","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H95 Cl Co O24 Ti7 -","- C38 H95 Cl Co O24 Ti7 -","- C76 H190 Cl2 Co2 O48 Ti14 -","2","1","","Salvador Eslava; Benjamin P. R. Goodwill; Mary McPartlin; Dominic S. Wright","Extending the Family of Titanium Heterometallic-oxo-alkoxy Cages","Inorganic Chemistry","2011","50","","5655","5662","10.1021/ic200350j","","","0.71073","MoKα","","0.114","0.05","","","0.1169","0.1385","","","","","","1.05","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325403","12.322","0.0004","13.5953","0.0004","19.3999","0.0007","80.403","0.002","82.37","0.002","70.819","0.002","3015.89","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H90 Cl2 Co O23 Ti7 -","- C36 H90 Cl2 Co O23 Ti7 -","- C72 H180 Cl4 Co2 O46 Ti14 -","2","1","","Salvador Eslava; Benjamin P. R. Goodwill; Mary McPartlin; Dominic S. Wright","Extending the Family of Titanium Heterometallic-oxo-alkoxy Cages","Inorganic Chemistry","2011","50","","5655","5662","10.1021/ic200350j","","","0.71073","MoKα","","0.0909","0.0529","","","0.1188","0.1367","","","","","","1.038","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325404","12.3502","0.0005","13.7057","0.0005","19.6221","0.0009","79.843","0.002","82.852","0.002","70.308","0.002","3070.6","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H90 Cl2 Fe O23 Ti7 -","- C36 H90 Cl2 Fe O23 Ti7 -","- C72 H180 Cl4 Fe2 O46 Ti14 -","2","1","","Salvador Eslava; Benjamin P. R. Goodwill; Mary McPartlin; Dominic S. Wright","Extending the Family of Titanium Heterometallic-oxo-alkoxy Cages","Inorganic Chemistry","2011","50","","5655","5662","10.1021/ic200350j","","","0.71073","MoKα","","0.1115","0.0833","","","0.246","0.2644","","","","","","1.035","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325405","11.1957","0.0001","13.4346","0.0002","14.7906","0.0002","90.105","0.001","92.395","0.001","94.951","0.001","2214.38","0.05","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H70 Cl Cr O15 Ti3 -","- C28 H70 Cl Cr O15 Ti3 -","- C56 H140 Cl2 Cr2 O30 Ti6 -","2","1","","Salvador Eslava; Benjamin P. R. Goodwill; Mary McPartlin; Dominic S. Wright","Extending the Family of Titanium Heterometallic-oxo-alkoxy Cages","Inorganic Chemistry","2011","50","","5655","5662","10.1021/ic200350j","","","0.71073","MoKα","","0.0721","0.053","","","0.1442","0.1588","","","","","","1.027","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325406","14.2373","0.0005","16.2385","0.0007","16.7247","0.0006","90","","112.548","0.002","90","","3571.1","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H100 Mo4 O36 Ti8 -","- C40 H100 Mo4 O36 Ti8 -","- C80 H200 Mo8 O72 Ti16 -","2","0.5","","Salvador Eslava; Benjamin P. R. Goodwill; Mary McPartlin; Dominic S. Wright","Extending the Family of Titanium Heterometallic-oxo-alkoxy Cages","Inorganic Chemistry","2011","50","","5655","5662","10.1021/ic200350j","","","0.71073","MoKα","","0.0948","0.0754","","","0.2085","0.2218","","","","","","1.107","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325407","22.1264","0.0003","11.2806","0.0002","22.5715","0.0004","90","","117.79","0.001","90","","4984.03","0.15","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H75 Cl O16 Zn Zr4 -","- C30 H75 Cl O16 Zn Zr4 -","- C120 H300 Cl4 O64 Zn4 Zr16 -","4","1","","Salvador Eslava; Benjamin P. R. Goodwill; Mary McPartlin; Dominic S. Wright","Extending the Family of Titanium Heterometallic-oxo-alkoxy Cages","Inorganic Chemistry","2011","50","","5655","5662","10.1021/ic200350j","","","0.71073","MoKα","","0.1718","0.1567","","","0.4262","0.4418","","","","","","3.555","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325408","5.6011","0.0007","12.0323","0.0017","26.525","0.004","90","","90","","90","","1787.6","0.4","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- H8 O12 Pu S2 -","- O12 Pu S2 -","- O96 Pu8 S16 -","8","0.25","","Richard E. Wilson","Structural Periodicity in Plutonium(IV) Sulfates","Inorganic Chemistry","2011","50","","5663","5670","10.1021/ic200384h","","","0.71073","MoKα","","0.0207","0.0189","","","0.0487","0.0495","","","","","","1.181","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325409","27.1622","0.0017","6.8916","0.0004","17.646","0.0011","90","","90","","90","","3303.2","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H8 O40 Pu2 S9 na10 -","- Na10 O40 Pu2 S9 -","- Na40 O160 Pu8 S36 -","4","0.5","","Richard E. Wilson","Structural Periodicity in Plutonium(IV) Sulfates","Inorganic Chemistry","2011","50","","5663","5670","10.1021/ic200384h","","","0.71073","MoKα","","0.0455","0.0347","","","0.0898","0.0962","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325410","12.3647","0.0005","11.1094","0.0005","13.4508","0.0006","90","","111.677","0.001","90","","1717","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H10 K8 O37 Pu2 S8 -","- K8 O37 Pu2 S8 -","- K16 O74 Pu4 S16 -","2","0.5","","Richard E. Wilson","Structural Periodicity in Plutonium(IV) Sulfates","Inorganic Chemistry","2011","50","","5663","5670","10.1021/ic200384h","","","0.71073","MoKα","","0.0323","0.0239","","","0.052","0.0548","","","","","","1.021","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325411","12.49","0.003","11.36","0.002","13.48","0.003","90","","109.36","0.03","90","","1804.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H8 O36 Pu2 Rb8 S8 -","- O36 Pu2 Rb8 S8 -","- O72 Pu4 Rb16 S16 -","2","0.5","","Richard E. Wilson","Structural Periodicity in Plutonium(IV) Sulfates","Inorganic Chemistry","2011","50","","5663","5670","10.1021/ic200384h","","","0.71073","MoKα","","0.0424","0.0271","","","0.0647","0.0725","","","","","","1.028","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325412","18.642","0.003","10.4881","0.0017","20.445","0.003","90","","91.618","0.003","90","","3995.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs4 H4 O18 Pu S4 -","- Cs4 O18 Pu S4 -","- Cs32 O144 Pu8 S32 -","8","2","","Richard E. Wilson","Structural Periodicity in Plutonium(IV) Sulfates","Inorganic Chemistry","2011","50","","5663","5670","10.1021/ic200384h","","","0.71073","MoKα","","0.0627","0.0377","","","0.0764","0.0865","","","","","","1.004","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325413","12.18","0.006","8.926","0.005","8.927","0.005","90","","90","","90","","970.5","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Bi Ga S5 -","- Ba2 Bi Ga S5 -","- Ba8 Bi4 Ga4 S20 -","4","0.5","","Lei Geng; Wen-Dan Cheng; Chen-Sheng Lin; Wei-Long Zhang; Hao Zhang; Zhang-Zhen He","Syntheses and Characterization of new Mid-Infrared Transparency Compounds: Centric Ba2BiGaS5 and Acentric Ba2BiInS5","Inorganic Chemistry","2011","50","","5679","5686","10.1021/ic2004358","","","0.71073","MoKα","","0.022","0.0208","","","0.0462","0.0467","","","","","","1.137","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325414","4.2535","0.0017","18.252","0.007","12.685","0.005","90","","90","","90","","984.8","0.7","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Bi In S5 -","- Ba2 Bi In S5 -","- Ba8 Bi4 In4 S20 -","4","0.5","","Lei Geng; Wen-Dan Cheng; Chen-Sheng Lin; Wei-Long Zhang; Hao Zhang; Zhang-Zhen He","Syntheses and Characterization of new Mid-Infrared Transparency Compounds: Centric Ba2BiGaS5 and Acentric Ba2BiInS5","Inorganic Chemistry","2011","50","","5679","5686","10.1021/ic2004358","","","0.71073","MoKα","","0.038","0.0361","","","0.0773","0.0778","","","","","","1.019","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325415","11.1235","0.0012","13.6608","0.0015","13.8965","0.0015","73.097","0.001","75.166","0.001","86.572","0.001","1952.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O8 Pt n2 -","- C14 H26 N2 O8 Pt -","- C56 H104 N8 O32 Pt4 -","4","2","","Weiping Liu; Xizhu Chen; Qingsong Ye; Yongping Xu; Chengying Xie; Mingjin Xie; Qiaowen Chang; Liguang Lou","A novel Water-Soluble Heptaplatin Analogue with Improved Antitumor Activity and Reduced Toxicity","Inorganic Chemistry","2011","50","","5324","5326","10.1021/ic200436u","","","0.71073","MoKα","","0.1077","0.062","","","0.149","0.1691","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325416","9.3725","0.0015","9.1324","0.0015","19.663","0.003","90","","100.29","0.005","90","","1656","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cu O5 n3 -","- C14 H17 Cu N3 O5 -","- C56 H68 Cu4 N12 O20 -","4","1","","Sujit Sasmal; Sohini Sarkar; Núria Aliaga-Alcalde; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Three One-Dimensional End-to-End Azide/Cyanate-Bridged Copper(II) Compounds Exhibiting Ferromagnetic Interaction: new Type of Solid State Isomerism","Inorganic Chemistry","2011","50","","5687","5695","10.1021/ic200462g","","","0.71073","MoKα","","0.0519","0.042","","","0.147","0.1548","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325417","9.4934","0.0015","9.2962","0.0014","18.377","0.003","90","","97.902","0.002","90","","1606.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cu O4 n5 -","- C13 H17 Cu N5 O4 -","- C52 H68 Cu4 N20 O16 -","4","1","","Sujit Sasmal; Sohini Sarkar; Núria Aliaga-Alcalde; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Three One-Dimensional End-to-End Azide/Cyanate-Bridged Copper(II) Compounds Exhibiting Ferromagnetic Interaction: new Type of Solid State Isomerism","Inorganic Chemistry","2011","50","","5687","5695","10.1021/ic200462g","","","0.71073","MoKα","","0.0623","0.0467","","","0.1078","0.1137","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325418","13.0218","0.0006","9.6216","0.0005","25.4583","0.0012","90","","90","","90","","3189.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Cu O2 n5 -","- C15 H21 Cu N5 O2 -","- C120 H168 Cu8 N40 O16 -","8","1","","Sujit Sasmal; Sohini Sarkar; Núria Aliaga-Alcalde; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Three One-Dimensional End-to-End Azide/Cyanate-Bridged Copper(II) Compounds Exhibiting Ferromagnetic Interaction: new Type of Solid State Isomerism","Inorganic Chemistry","2011","50","","5687","5695","10.1021/ic200462g","","","0.71073","MoKα","","0.0423","0.0292","","","0.0936","0.1129","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325419","7.278","0.0019","9.685","0.0015","12.372","0.002","96.14","0.013","100.23","0.018","107.55","0.016","806.2","0.3","298","2","298","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H32 Cu2 O14 n12 -","- C24 H32 Cu2 N12 O14 -","- C24 H32 Cu2 N12 O14 -","1","0.5","","José Sánchez Costa; Nuno A. G. Bandeira; Boris Le Guennic; Vincent Robert; Patrick Gamez; Guillaume Chastanet; Luis Ortiz-Frade; Laura Gasque","Coexistence of Intramolecular Ligand-Mediated and Through Hydrogen-Bond Magnetic Interactions in a Chain of Dicopper(II) Units","Inorganic Chemistry","2011","50","","5696","5705","10.1021/ic200480d","","x-ray","0.71073","MoKα","","0.1514","0.0743","","","0.154","0.1913","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325420","9.6182","0.0005","9.6182","0.0005","75.393","0.007","90","","90","","120","","6040.2","0.7","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba1.14 In0.38 S1.81 -","- Ba1.14286 In0.380952 S1.80952 -","- Ba72 In24 S114 -","63","3.5","","Ji-Wei Liu; Peng Wang; Ling Chen","Contribution of Disulfide S22-Anions to the Crystal and Electronic Structures in Ternary Sulfides, Ba12In4S19, Ba4M2S8 (M = Ga, In)","Inorganic Chemistry","2011","50","","5706","5713","10.1021/ic2004936","","","0.71073","MoKα","","0.077","0.0485","","","0.083","0.0941","","","","","","1.075","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325421","6.236","0.002","10.014","0.004","13.033","0.005","104.236","0.006","90.412","0.004","91.052","0.006","788.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Ba8 In4 S16 -","- Ba8 In4 S16 -","- Ba8 In4 S16 -","1","0.5","","Ji-Wei Liu; Peng Wang; Ling Chen","Contribution of Disulfide S22-Anions to the Crystal and Electronic Structures in Ternary Sulfides, Ba12In4S19, Ba4M2S8 (M = Ga, In)","Inorganic Chemistry","2011","50","","5706","5713","10.1021/ic2004936","","","0.71073","MoKα","","0.0426","0.0362","","","0.0879","0.0929","","","","","","1.125","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325422","12.739","0.005","6.201","0.002","19.83","0.008","90","","104.254","0.006","90","","1518.2","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba Ga0.5 S2 -","- Ba Ga0.5 S2 -","- Ba16 Ga8 S32 -","16","4","","Ji-Wei Liu; Peng Wang; Ling Chen","Contribution of Disulfide S22-Anions to the Crystal and Electronic Structures in Ternary Sulfides, Ba12In4S19, Ba4M2S8 (M = Ga, In)","Inorganic Chemistry","2011","50","","5706","5713","10.1021/ic2004936","","","0.71073","MoKα","","0.0318","0.0275","","","0.064","0.0669","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325423","11.1814","0.0004","16.532","0.0004","35.0505","0.0011","90","","96.651","0.001","90","","6435.5","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Br8 Mn O8 Re2 n6 -","- C42 H80 Br8 Mn N6 O8 Re2 -","- C168 H320 Br32 Mn4 N24 O32 Re8 -","4","0.5","","José Martínez-Lillo; Teresa F. Mastropietro; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Enhancing the Magnetic Coupling of Oxalato-Bridged ReIV2MII (M = Mn, Co, ni, and Cu) Trinuclear Complexes via Peripheral Halide Ligand Effects","Inorganic Chemistry","2011","50","","5731","5739","10.1021/ic200531s","","","0.71073","MoKα","","0.0572","0.0371","","","0.0819","0.0898","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325424","11.2017","0.0013","16.4144","0.0013","34.732","0.004","90","","96.082","0.005","90","","6350.2","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Br8 Co O8 Re2 n6 -","- C42 H80 Br8 Co N6 O8 Re2 -","- C168 H320 Br32 Co4 N24 O32 Re8 -","4","0.5","","José Martínez-Lillo; Teresa F. Mastropietro; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Enhancing the Magnetic Coupling of Oxalato-Bridged ReIV2MII (M = Mn, Co, ni, and Cu) Trinuclear Complexes via Peripheral Halide Ligand Effects","Inorganic Chemistry","2011","50","","5731","5739","10.1021/ic200531s","","","0.71073","MoKα","","0.0519","0.0363","","","0.087","0.0934","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325425","11.2201","0.0011","16.395","0.0011","34.675","0.003","90","","95.935","0.005","90","","6344.4","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Br8 Ni O8 Re2 n6 -","- C42 H80 Br8 N6 Ni O8 Re2 -","- C168 H320 Br32 N24 Ni4 O32 Re8 -","4","0.5","","José Martínez-Lillo; Teresa F. Mastropietro; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Enhancing the Magnetic Coupling of Oxalato-Bridged ReIV2MII (M = Mn, Co, ni, and Cu) Trinuclear Complexes via Peripheral Halide Ligand Effects","Inorganic Chemistry","2011","50","","5731","5739","10.1021/ic200531s","","","0.71073","MoKα","","0.0455","0.0327","","","0.0791","0.0872","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325426","11.212","0.0006","16.3081","0.0006","34.781","0.0013","90","","96.301","0.002","90","","6321.2","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Br8 Cu O8 Re2 n6 -","- C42 H80 Br8 Cu N6 O8 Re2 -","- C168 H320 Br32 Cu4 N24 O32 Re8 -","4","0.5","","José Martínez-Lillo; Teresa F. Mastropietro; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Enhancing the Magnetic Coupling of Oxalato-Bridged ReIV2MII (M = Mn, Co, ni, and Cu) Trinuclear Complexes via Peripheral Halide Ligand Effects","Inorganic Chemistry","2011","50","","5731","5739","10.1021/ic200531s","","","0.71073","MoKα","","0.0496","0.0319","","","0.0686","0.0777","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325427","9.478","0.004","20.23","0.009","10.652","0.005","90","","96.111","0.009","90","","2030.8","1.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H26 As2 Mn3 O S7 n6 -","- C36 H26 As2 Mn3 N6 O S7 -","- C72 H52 As4 Mn6 N12 O2 S14 -","2","1","","Guang-Ning Liu; Xiao-Ming Jiang; Mei-Feng Wu; Guan-E Wang; Guo-Cong Guo; Jin-Shun Huang","Stabilization of noncondensed (AsIIIS3)3- Anions by Coordinating to [MnII(phen)]2+ Complex Cations: a Mixed-Valent Thioarsenate (III, V) {[Mn(phen)]3(AsVS4)(AsIIIS3)}n.nH2O Showing the Coexistence of Antiferromagnetic Order, Photoluminescence, and nonlinear Optical Properties","Inorganic Chemistry","2011","50","","5740","5746","10.1021/ic2005562","","","0.71073","MoKα","","0.0419","0.0385","","","0.0829","0.0848","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325428","15.298","0.001","15.298","0.001","22.517","0.003","90","","90","","90","","5269.6","0.9","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu-acetato-K2-O,O')(mu3-adeninato-k3-N3:N7:N9)copper(II)]","","- C14 H20 Cu2 O7 n10 -","- C14 H14 Cu2 N10 O6.952 -","- C112 H112 Cu16 N80 O55.616 -","8","0.5","","Sonia Pérez-Yáñez; Garikoitz Beobide; Oscar Castillo; Javier Cepeda; Antonio Luque; Andrés T. Aguayo; Pascual Román","Open-Framework Copper Adeninate Compounds with Three-Dimensional Microchannels Tailored by Aliphatic Monocarboxylic Acids","Inorganic Chemistry","2011","50","","5330","5332","10.1021/ic200560b","","","0.71073","MoKα","","0.1165","0.0723","","","0.1931","0.209","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325429","15.348","0.005","15.348","0.005","22.702","0.005","90","","90","","90","","5348","3","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu3-adeninato-k3-N3:N7:N9)(mu-butanoato-K2-O,O')copper(II)]","","- C18 H28 Cu2 O7 n10 -","- C18 H22 Cu2 N10 O7 -","- C144 H176 Cu16 N80 O56 -","8","0.5","","Sonia Pérez-Yáñez; Garikoitz Beobide; Oscar Castillo; Javier Cepeda; Antonio Luque; Andrés T. Aguayo; Pascual Román","Open-Framework Copper Adeninate Compounds with Three-Dimensional Microchannels Tailored by Aliphatic Monocarboxylic Acids","Inorganic Chemistry","2011","50","","5330","5332","10.1021/ic200560b","","","0.71073","MoKα","","0.208","0.0622","","","0.083","0.1014","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325430","10.0684","0.0002","10.0684","0.0002","10.0684","0.0002","90","","90","","90","","1020.66","0.04","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Nominal composition is CsAl0.25Te1.75O6","","- Al0.38 Cs O6 Te1.62 -","- Al0.376 Cs O6 Te1.624 -","- Al3.008 Cs8 O48 Te12.992 -","8","0.0416667","","Jun Li; Theeranun Siritanon; Judith K. Stalick; Arthur W. Sleight; M. A. Subramanian","Structural Studies and Electrical Properties of Cs/Al/Te/O Phases with the Pyrochlore Structure","Inorganic Chemistry","2011","50","","5747","5754","10.1021/ic200574v","","","0.71073","MoKα","","0.0138","0.0119","","","0.0271","0.0284","","","","","","1.16","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325431","10.0714","0.0011","10.0714","0.0011","10.0714","0.0011","90","","90","","90","","1021.57","0.19","173","2","173","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Nominal composition is CsAl0.33Te1.67O6","","- Al0.37 Cs O6 Te1.63 -","- Al0.368 Cs O6 Te1.632 -","- Al2.944 Cs8 O48 Te13.056 -","8","0.0416667","","Jun Li; Theeranun Siritanon; Judith K. Stalick; Arthur W. Sleight; M. A. Subramanian","Structural Studies and Electrical Properties of Cs/Al/Te/O Phases with the Pyrochlore Structure","Inorganic Chemistry","2011","50","","5747","5754","10.1021/ic200574v","","","0.71073","MoKα","","0.0161","0.0155","","","0.0323","0.0326","","","","","","1.579","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325432","10.1035","0.0003","10.1035","0.0003","10.1035","0.0003","90","","90","","90","","1031.37","0.05","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Nominal composition is CsAl0.45Te1.55O6","","- Al0.34 Cs O6 Te1.66 -","- Al0.33 Cs O6 Te1.668 -","- Al2.64 Cs8 O48 Te13.344 -","8","0.0416667","","Jun Li; Theeranun Siritanon; Judith K. Stalick; Arthur W. Sleight; M. A. Subramanian","Structural Studies and Electrical Properties of Cs/Al/Te/O Phases with the Pyrochlore Structure","Inorganic Chemistry","2011","50","","5747","5754","10.1021/ic200574v","","","0.71073","MoKα","","0.014","0.0133","","","0.0325","0.0329","","","","","","1.402","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325433","10.1375","0.0014","10.1375","0.0014","10.1375","0.0014","90","","90","","90","","1041.8","0.2","173","2","173","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Nominal composition is CsGa0.33Te1.67O6","","- Cs Ga0.34 O6 Te1.66 -","- Cs Ga0.338 O6 Te1.662 -","- Cs8 Ga2.704 O48 Te13.296 -","8","0.0416667","","Jun Li; Theeranun Siritanon; Judith K. Stalick; Arthur W. Sleight; M. A. Subramanian","Structural Studies and Electrical Properties of Cs/Al/Te/O Phases with the Pyrochlore Structure","Inorganic Chemistry","2011","50","","5747","5754","10.1021/ic200574v","","","0.71073","MoKα","","0.0156","0.0129","","","0.0308","0.0317","","","","","","1.19","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325434","10.0167","0.0014","10.0167","0.0014","10.0167","0.0014","90","","90","","90","","1005","0.2","173","2","173","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Nominal composition is CsGe0.50Te1.50O6","","- Cs Ge0.5 O6 Te1.5 -","- Cs Ge0.5 O6 Te1.5 -","- Cs8 Ge4 O48 Te12 -","8","0.0416667","","Jun Li; Theeranun Siritanon; Judith K. Stalick; Arthur W. Sleight; M. A. Subramanian","Structural Studies and Electrical Properties of Cs/Al/Te/O Phases with the Pyrochlore Structure","Inorganic Chemistry","2011","50","","5747","5754","10.1021/ic200574v","","","0.71073","MoKα","","0.0207","0.0175","","","0.0381","0.0394","","","","","","1.391","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325435","10.2697","0.0007","10.2697","0.0007","10.2697","0.0007","90","","90","","90","","1083.11","0.13","173","2","173","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Nominal composition is CsIn0.33Te1.67O6","","- Cs In0.33 O6 Te1.67 -","- Cs In0.34 O6 Te1.66 -","- Cs8 In2.72 O48 Te13.28 -","8","0.0416667","","Jun Li; Theeranun Siritanon; Judith K. Stalick; Arthur W. Sleight; M. A. Subramanian","Structural Studies and Electrical Properties of Cs/Al/Te/O Phases with the Pyrochlore Structure","Inorganic Chemistry","2011","50","","5747","5754","10.1021/ic200574v","","","0.71073","MoKα","","0.0093","0.0087","","","0.0173","0.0178","","","","","","1.277","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325436","10.3207","0.0015","10.3207","0.0015","10.3207","0.0015","90","","90","","90","","1099.3","0.3","233","2","233","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Nominal composition is CsTe2O6","","- Cs2 O12 Te4 -","- Cs2.66667 O16 Te5.33333 -","- Cs8 O48 Te16 -","3","0.015625","","Jun Li; Theeranun Siritanon; Judith K. Stalick; Arthur W. Sleight; M. A. Subramanian","Structural Studies and Electrical Properties of Cs/Al/Te/O Phases with the Pyrochlore Structure","Inorganic Chemistry","2011","50","","5747","5754","10.1021/ic200574v","","","0.71073","MoKα","","0.0297","0.0297","","","0.0642","0.0642","","","","","","1.514","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325437","10.0026","0.0006","10.0026","0.0006","10.0026","0.0006","90","","90","","90","","1000.78","0.1","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Nominal composition is RbAl0.33Te1.67O6","","- Al0.39 O6 Rb Te1.61 -","- Al0.394 O6 Rb Te1.606 -","- Al3.152 O48 Rb8 Te12.848 -","8","0.0416667","","Jun Li; Theeranun Siritanon; Judith K. Stalick; Arthur W. Sleight; M. A. Subramanian","Structural Studies and Electrical Properties of Cs/Al/Te/O Phases with the Pyrochlore Structure","Inorganic Chemistry","2011","50","","5747","5754","10.1021/ic200574v","","","0.71073","MoKα","","0.0133","0.013","","","0.0303","0.0304","","","","","","1.333","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325438","18.192","0.002","11.7757","0.0015","14.38","0.002","90","","107.262","0.002","90","","2941.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 F12 Fe O P2 n6 -","- C22 H32 F12 Fe N6 O P2 -","- C88 H128 F48 Fe4 N24 O4 P8 -","4","1","","Neil C. Tomson; Liezel A. Labios; Thomas Weyhermüller; Joshua S. Figueroa; Karl Wieghardt","Redox noninnocence of Nitrosoarene Ligands in Transition Metal Complexes","Inorganic Chemistry","2011","50","","5763","5776","10.1021/ic2005979","","","0.71073","MoKα","","0.0571","0.0432","","","0.11","0.1228","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325439","12.734","0.002","21.459","0.003","23.75","0.004","83.733","0.002","87.768","0.002","85.113","0.002","6424.8","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(eta-2-o-tolNO)Pd(CNArDipp2)2","","","- C72 H85.5 O1.75 Pd n3 -","- C71 H83 N3 O1.5 Pd -","- C284 H332 N12 O6 Pd4 -","4","2","","Neil C. Tomson; Liezel A. Labios; Thomas Weyhermüller; Joshua S. Figueroa; Karl Wieghardt","Redox noninnocence of Nitrosoarene Ligands in Transition Metal Complexes","Inorganic Chemistry","2011","50","","5763","5776","10.1021/ic2005979","","","0.71073","MoKα","","0.0763","0.0527","","","0.1227","0.1346","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325440","11.00314","0.00016","12.2976","0.0002","13.3976","0.0002","76.731","0.0014","67.6432","0.0014","88.3673","0.0013","1628.35","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H35 Cl3 Ir O4 n7 -","- C29.5 H35 Cl3 Ir N7 O4 -","- C59 H70 Cl6 Ir2 N14 O8 -","2","1","","Zhe Liu; Luca Salassa; Abraha Habtemariam; Ana M. Pizarro; Guy J. Clarkson; Peter J. Sadler","Contrasting Reactivity and Cancer Cell Cytotoxicity of Isoelectronic Organometallic Iridium(III) Complexes","Inorganic Chemistry","2011","50","","5777","5783","10.1021/ic200607j","","","0.71073","MoKα","","0.0239","0.0218","","","0.055","0.0555","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325441","17.45","0.003","12.6602","0.0017","12.6617","0.0018","90","","90","","90","","2797.2","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H25 Cl2 Fe O10 n5 -","- C25 H25 Cl Fe N5 O6 -","- C100 H100 Cl4 Fe4 N20 O24 -","4","1","","Casey S. Jackson; Sara Schmitt; Q. Ping Dou; Jeremy J. Kodanko","Synthesis, Characterization, and Reactivity of the Stable Iron Carbonyl Complex [Fe(CO)(N4Py)](ClO4)2: Photoactivated Carbon Monoxide Release, Growth Inhibitory Activity, and Peptide Ligation","Inorganic Chemistry","2011","50","","5336","5338","10.1021/ic200676s","","","0.71073","MoKα","","0.0718","0.0489","","","0.1075","0.1161","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325442","31.93","0.03","5.602","0.006","22.55","0.02","90","","97.035","0.014","90","","4003","7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 S4 n -","- C19 H23 N S4 -","- C152 H184 N8 S32 -","8","1","","Eunji Lee; Shim Sung Lee","Rational Approach to Endo/Exocoordinated Heteronuclear Macrocyclic network: Supramolecular Hg(ll), Cu(ll), and Hg(ll)/Cu(ll) Complexes of a NS4 Macrocycle","Inorganic Chemistry","2011","50","","5803","5807","10.1021/ic200684x","","","0.71073","MoKα","","0.103","0.0585","","","0.146","0.1804","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325443","13.689","0.003","16.969","0.004","14.974","0.004","90","","104.056","0.011","90","","3374.1","1.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H25 Cl Hg2 I4 O0.5 S4 n -","- C19.5 H25 Cl Hg2 I4 N O0.5 S4 -","- C78 H100 Cl4 Hg8 I16 N4 O2 S16 -","4","1","","Eunji Lee; Shim Sung Lee","Rational Approach to Endo/Exocoordinated Heteronuclear Macrocyclic network: Supramolecular Hg(ll), Cu(ll), and Hg(ll)/Cu(ll) Complexes of a NS4 Macrocycle","Inorganic Chemistry","2011","50","","5803","5807","10.1021/ic200684x","","","0.71073","MoKα","","0.0579","0.0492","","","0.1398","0.1483","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325444","8.5234","0.0004","10.5146","0.0006","15.8863","0.0012","96.754","0.004","102.105","0.004","113.81","0.002","1240.61","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H27 Cu O7 S4 n3 -","- C20 H27 Cu N3 O7 S4 -","- C40 H54 Cu2 N6 O14 S8 -","2","1","","Eunji Lee; Shim Sung Lee","Rational Approach to Endo/Exocoordinated Heteronuclear Macrocyclic network: Supramolecular Hg(ll), Cu(ll), and Hg(ll)/Cu(ll) Complexes of a NS4 Macrocycle","Inorganic Chemistry","2011","50","","5803","5807","10.1021/ic200684x","","","0.71073","MoKα","","0.0427","0.0368","","","0.1093","0.1161","","","","","","1.096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325445","8.5739","0.0007","13.887","0.0011","15.6684","0.0012","80.024","0.003","81.731","0.004","89.926","0.003","1817.7","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H25 Cl2 Cu Hg2 I5 O3 S4 n2 -","- C20 H25 Cl2 Cu Hg2 I5 N2 O3 S4 -","- C40 H50 Cl4 Cu2 Hg4 I10 N4 O6 S8 -","2","1","","Eunji Lee; Shim Sung Lee","Rational Approach to Endo/Exocoordinated Heteronuclear Macrocyclic network: Supramolecular Hg(ll), Cu(ll), and Hg(ll)/Cu(ll) Complexes of a NS4 Macrocycle","Inorganic Chemistry","2011","50","","5803","5807","10.1021/ic200684x","","","0.71073","MoKα","","0.0975","0.0888","","","0.2094","0.2145","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325446","9.328","0.004","13.261","0.005","13.698","0.005","90","","100.154","0.006","90","","1667.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 I3 O3 Pd n -","- C11 H14 I3 N O3 Pd -","- C44 H56 I12 N4 O12 Pd4 -","4","1","","José Vicente; Aurelia Arcas; Francisco Juliá-Hernández; Delia Bautista","Synthesis, Isolation, and Characterization of an Organometallic Triiodopalladium(IV) Complex. Quantitative and Regioselective Synthesis of Two C-I Reductive Elimination Products","Inorganic Chemistry","2011","50","","5339","5341","10.1021/ic2006869","","","0.71073","MoKα","","0.0269","0.0248","","","0.0548","0.0557","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325447","12.2106","0.0009","14.741","0.0012","21.1396","0.0017","79.893","0.007","87.157","0.007","77.266","0.007","3653.6","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H114 Ga6 Mo -","- C78 H114 Ga6 Mo -","- C156 H228 Ga12 Mo2 -","2","1","","Timo Bollermann; Thomas Cadenbach; Christian Gemel; Kerstin Freitag; Mariusz Molon; Vanessa Gwildies; Roland A. Fischer","Homoleptic Hexa and Penta Gallylene Coordinated Complexes of Molybdenum and Rhodium","Inorganic Chemistry","2011","50","","5808","5814","10.1021/ic200699f","","","0.71073","MoKα","","0.1231","0.0429","","","0.0733","0.0828","","","","","","0.756","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325448","12.1447","0.0003","12.5678","0.0003","20.3119","0.0005","87.634","0.002","81.14","0.002","64.001","0.002","2752.06","0.13","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H154 F7 Ga10 O6 Rh2 S2 -","- C108 H154 F7 Ga10 O6 Rh2 S2 -","- C108 H154 F7 Ga10 O6 Rh2 S2 -","1","0.5","","Timo Bollermann; Thomas Cadenbach; Christian Gemel; Kerstin Freitag; Mariusz Molon; Vanessa Gwildies; Roland A. Fischer","Homoleptic Hexa and Penta Gallylene Coordinated Complexes of Molybdenum and Rhodium","Inorganic Chemistry","2011","50","","5808","5814","10.1021/ic200699f","","","0.71073","MoKα","","0.0389","0.0302","","","0.0721","0.0763","","","","","","1.044","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325449","11.581","0.0005","21.9442","0.001","18.6298","0.0009","90","","96.623","0.004","90","","4702.9","0.4","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H63 F3 Ga O3 Rh S n2 -","- C45 H63 F3 Ga N2 O3 Rh S -","- C180 H252 F12 Ga4 N8 O12 Rh4 S4 -","4","1","","Timo Bollermann; Thomas Cadenbach; Christian Gemel; Kerstin Freitag; Mariusz Molon; Vanessa Gwildies; Roland A. Fischer","Homoleptic Hexa and Penta Gallylene Coordinated Complexes of Molybdenum and Rhodium","Inorganic Chemistry","2011","50","","5808","5814","10.1021/ic200699f","","","0.71073","MoKα","","0.0819","0.049","","","0.0988","0.1092","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325450","8.5028","0.0006","19.7612","0.0015","24.1525","0.0018","90","","90.584","0.001","90","","4058","0.5","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(4-picoline)4TcO2][BPh4]","","","- C48 H48 B O2 Tc n4 -","- C48 H48 B N4 O2 Tc -","- C192 H192 B4 N16 O8 Tc4 -","4","0.5","","Sayandev Chatterjee; Andrew S. Del Negro; Zheming Wang; Matthew K. Edwards; Frances N. Skomurski; Sean E. Hightower; Jeanette A. Krause; Brendan Twamley; B. Patrick Sullivan; Christian Reber; William R. Heineman; Carl J. Seliskar; Samuel A. Bryan","Electronic and Molecular Structures of trans-Dioxotechnetium(V) Polypyridyl Complexes in the Solid State","Inorganic Chemistry","2011","50","","5815","5823","10.1021/ic200747v","","","0.71073","MoKα","","0.0349","0.0297","","","0.0687","0.0709","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325451","13.4168","0.0004","11.9421","0.0004","15.331","0.0005","90","","115.484","0.001","90","","2217.41","0.12","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","[(py)4TcO2][Cl].2H2O","","","- C20 H24 Cl O4 Tc n4 -","- C20 H24 Cl N4 O4 Tc -","- C80 H96 Cl4 N16 O16 Tc4 -","4","1","","Sayandev Chatterjee; Andrew S. Del Negro; Zheming Wang; Matthew K. Edwards; Frances N. Skomurski; Sean E. Hightower; Jeanette A. Krause; Brendan Twamley; B. Patrick Sullivan; Christian Reber; William R. Heineman; Carl J. Seliskar; Samuel A. Bryan","Electronic and Molecular Structures of trans-Dioxotechnetium(V) Polypyridyl Complexes in the Solid State","Inorganic Chemistry","2011","50","","5815","5823","10.1021/ic200747v","","","0.71073","MoKα","","0.0228","0.0218","","","0.0543","0.055","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325452","10.2396","0.0001","10.2396","0.0001","42.6378","0.0008","90","","90","","120","","3871.61","0.09","90","2","90","2","","","","","","","","6","P 61","P 61","169","","","","- C24 H32 Cl O4 Tc n4 -","- C24 H32 Cl N4 O4 Tc -","- C144 H192 Cl6 N24 O24 Tc6 -","6","1","","Sayandev Chatterjee; Andrew S. Del Negro; Zheming Wang; Matthew K. Edwards; Frances N. Skomurski; Sean E. Hightower; Jeanette A. Krause; Brendan Twamley; B. Patrick Sullivan; Christian Reber; William R. Heineman; Carl J. Seliskar; Samuel A. Bryan","Electronic and Molecular Structures of trans-Dioxotechnetium(V) Polypyridyl Complexes in the Solid State","Inorganic Chemistry","2011","50","","5815","5823","10.1021/ic200747v","","","1.54178","CuKα","","0.0261","0.0247","","","0.0595","0.0602","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325453","12.2619","0.0004","13.3712","0.0003","21.2481","0.0006","90","","106.675","0.003","90","","3337.26","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 B2 Fe3 Mo2 O7 Se2 -","- C27 H32 B2 Fe3 Mo2 O7 Se2 -","- C108 H128 B8 Fe12 Mo8 O28 Se8 -","4","1","","K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh","Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9","Inorganic Chemistry","2011","50","","5824","5832","10.1021/ic200802c","","","0.71073","MoKα","","0.0205","0.0172","","","0.0416","0.0423","","","","","","1.027","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325454","10.3081","0.0004","10.8988","0.0005","16.0185","0.0007","74.054","0.004","81.082","0.003","67.255","0.004","1593.39","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 B2 Fe3 O9 Ru2 -","- C29 H32 B2 Fe3 O9 Ru2 -","- C58 H64 B4 Fe6 O18 Ru4 -","2","1","","K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh","Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9","Inorganic Chemistry","2011","50","","5824","5832","10.1021/ic200802c","","","0.71073","MoKα","","0.031","0.0257","","","0.075","0.0763","","","","","","1.045","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325455","9.3791","0.0008","14.967","0.0014","10.9142","0.0009","90","","106.91","0.004","90","","1465.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H33 B3 Fe2 O6 Ru2 -","- C26 H33 B3 Fe2 O6 Ru2 -","- C52 H66 B6 Fe4 O12 Ru4 -","2","1","","K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh","Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9","Inorganic Chemistry","2011","50","","5824","5832","10.1021/ic200802c","","","0.71073","MoKα","","0.014","0.0136","","","0.0341","0.0343","","","","","","1.036","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325456","18.0715","0.0009","18.3109","0.0009","41.907","0.002","92.939","0.003","97.194","0.002","119.025","0.002","11929.4","1","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H38 B4 Fe2 Mo2 O5.5 Se2 -","- C31.5 H35 B4 Fe2 Mo2 O5.5 Se2 -","- C378 H420 B48 Fe24 Mo24 O66 Se24 -","12","6","","K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh","Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9","Inorganic Chemistry","2011","50","","5824","5832","10.1021/ic200802c","","","0.71073","MoKα","","0.1839","0.128","","","0.3117","0.3417","","","","","","1.098","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325457","8.3363","0.0004","36.354","0.002","9.1085","0.0004","90","","116.469","0.006","90","","2471","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 B3 O2 Ru2 -","- C22 H36 B3 O2 Ru2 -","- C88 H144 B12 O8 Ru8 -","4","1","","K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh","Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9","Inorganic Chemistry","2011","50","","5824","5832","10.1021/ic200802c","","","0.71073","MoKα","","0.0779","0.0675","","","0.1057","0.1083","","","","","","1.35","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325458","7.2377","0.0003","15.2598","0.0006","10.1424","0.0004","90","","107.446","0.001","90","","1068.66","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 O2 Ru2 -","- C22 H32 O2 Ru2 -","- C44 H64 O4 Ru4 -","2","0.5","","K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh","Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9","Inorganic Chemistry","2011","50","","5824","5832","10.1021/ic200802c","","","0.71073","MoKα","","0.0217","0.0182","","","0.0499","0.052","","","","","","1.262","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325459","9.518","0.003","9.95","0.003","10.948","0.004","98.812","0.005","106.707","0.005","114.349","0.004","859.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H26 Cl Cr F2 O5 n4 -","- C10 H26 Cl Cr F2 N4 O5 -","- C20 H52 Cl2 Cr2 F4 N8 O10 -","2","1","","Alexis D. Ostrowski; Ryan O. Absalonson; Malcolm A. De Leo; Guang Wu; James G. Pavlovich; Janet Adamson; Bilal Azhar; Alexei V. Iretskii; Ian L. Megson; Peter C. Ford","Correction to Photochemistry of trans-Cr(cyclam)(ONO)2+, a nitric Oxide Precursor","Inorganic Chemistry","2011","50","","5848","5848","10.1021/ic200888n","","","0.71073","MoKα","","0.0646","0.0595","","","0.1716","0.177","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325460","28.9533","0.0007","13.0045","0.0003","26.734","0.0008","90","","90.526","0.002","90","","10065.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C110 H116 Fe3 N12 O8 -","- C110 H116 Fe3 N12 O8 -","- C440 H464 Fe12 N48 O32 -","4","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","0.71073","MoKα","","0.079","0.0582","","","0.1476","0.1542","","","","","","0.977","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325461","26.87","0.0006","11.5749","0.0002","14.8955","0.0003","90","","121.146","0.003","90","","3964.96","0.19","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 Fe N6 O2 -","- C44 H42 Fe N6 O2 -","- C176 H168 Fe4 N24 O8 -","4","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","1.54184","CuKα","","0.0411","0.0367","","","0.0932","0.0951","","","","","","0.985","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325462","25.4871","0.0008","21.9537","0.0008","24.8107","0.0011","90","","116.882","0.005","90","","12382.3","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C130.5 H150.75 Fe3 N14.25 O6 -","- C130.5 H150.75 Fe3 N14.25 O6 -","- C522 H603 Fe12 N57 O24 -","4","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","0.71073","MoKα","","0.3046","0.074","","","0.1272","0.1691","","","","","","0.693","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325463","7.3694","0.0006","19.797","0.003","12.1347","0.0018","90","","102.388","0.012","90","","1729.1","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35.5 H32.25 Fe N6.75 O6 -","- C35.5 H32.25 Fe N6.75 O6 -","- C71 H64.5 Fe2 N13.5 O12 -","2","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","0.71073","MoKα","","0.1659","0.0487","","","0.0833","0.099","","","","","","0.689","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325464","13.31","0.0003","11.6027","0.0002","15.9378","0.0004","90","","103.807","0.002","90","","2390.19","0.09","100","2","100","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C50 H54 Fe N6 O8.5 -","- C50.75 H42 Fe N6 O7.75 -","- C101.5 H84 Fe2 N12 O15.5 -","2","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","0.71073","MoKα","","0.0805","0.0561","","","0.1342","0.1413","","","","","","0.975","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325465","21.05493","0.00013","16.1139","0.0001","11.55863","0.00008","90","","90","","90","","3921.58","0.04","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C43 H35 Cl3 Fe N6 O2 -","- C43 H35 Cl3 Fe N6 O2 -","- C172 H140 Cl12 Fe4 N24 O8 -","4","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","1.54184","CuKα","","0.0319","0.029","","","0.0775","0.0784","","","","","","1.08","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325466","8.7967","0.0002","8.9245","0.0002","14.7428","0.0004","102.135","0.002","106.334","0.002","97.4319","0.0019","1063.73","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H52 Fe N4 O6 -","- C48 H52 Fe N4 O6 -","- C48 H52 Fe N4 O6 -","1","1","","Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott","Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers","Inorganic Chemistry","2011","50","","5925","5935","10.1021/ic102291r","","","0.71073","MoKα","","0.0476","0.0425","","","0.1061","0.1078","","","","","","1.004","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325467","17.0283","0.0009","13.2624","0.0007","19.0848","0.001","90","","114.78","0.001","90","","3913.2","0.4","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H61 Mo N3 O3 -","- C40 H61 Mo N3 O3 -","- C160 H244 Mo4 N12 O12 -","4","1","","Eric S. Wiedner; Kimberley J. Gallagher; Marc J. A. Johnson; Jeff W. Kampf","Synthesis of Molybdenum Nitrido Complexes for Triple-Bond Metathesis of Alkynes and Nitriles","Inorganic Chemistry","2011","50","","5936","5945","10.1021/ic1024247","","","0.71073","MoKα","","0.0286","0.0261","","","0.0721","0.0747","","","","","","1.072","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325468","10.9987","0.0016","12.6721","0.0018","14.715","0.002","87.778","0.002","85.186","0.002","78.835","0.002","2004.5","0.5","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H50 Mo N2 O3 -","- C47.5 H50 Mo N2 O3 -","- C95 H100 Mo2 N4 O6 -","2","1","","Eric S. Wiedner; Kimberley J. Gallagher; Marc J. A. Johnson; Jeff W. Kampf","Synthesis of Molybdenum Nitrido Complexes for Triple-Bond Metathesis of Alkynes and Nitriles","Inorganic Chemistry","2011","50","","5936","5945","10.1021/ic1024247","","","0.71073","MoKα","","0.0948","0.0673","","","0.1519","0.1651","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325469","10.892","0.0012","11.6541","0.0014","12.0711","0.0016","75.631","0.008","68.776","0.007","71.478","0.008","1338.9","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 Ir N3 O S -","- C35 H24 Ir N3 O S -","- C70 H48 Ir2 N6 O2 S2 -","2","1","","Yi Liu; Meiyi Li; Qiang Zhao; Huazhou Wu; Kewei Huang; Fuyou Li","Phosphorescent Iridium(III) Complex with an N^O Ligand as a Hg2±Selective Chemodosimeter and Logic Gate","Inorganic Chemistry","2011","50","","5969","5977","10.1021/ic102481x","","","0.7107","MoKα","","0.0328","0.0304","","","0.0697","0.0702","","","","","","1.018","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325470","8.9186","0.0009","10.4896","0.001","16.9431","0.0016","103.388","0.002","97.092","0.002","106.612","0.002","1446.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 Ir N4 O2 -","- C37 H27 Ir N4 O2 -","- C74 H54 Ir2 N8 O4 -","2","1","","Yi Liu; Meiyi Li; Qiang Zhao; Huazhou Wu; Kewei Huang; Fuyou Li","Phosphorescent Iridium(III) Complex with an N^O Ligand as a Hg2±Selective Chemodosimeter and Logic Gate","Inorganic Chemistry","2011","50","","5969","5977","10.1021/ic102481x","","","0.71073","MoKα","","0.0399","0.0353","","","0.0785","0.0819","","","","","","1.036","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325471","9.9359","0.0003","9.9359","0.0003","6.4471","0.0002","90","","90","","90","","636.47","0.03","298","","298","","","","","","","","","6","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- C8 H9 F8 N4 Ni Sb -","- C8 H9 F8 N4 Ni Sb -","- C16 H18 F16 N8 Ni2 Sb2 -","2","0.125","","Jamie L. Manson; Saul H. Lapidus; Peter W. Stephens; Peter K. Peterson; Kimberly E. Carreiro; Heather I. Southerland; Tom Lancaster; Stephen J. Blundell; Andrew J. Steele; Paul A. Goddard; Francis L. Pratt; John Singleton; Yoshimitsu Kohama; Ross D. McDonald; Rico E. Del Sesto; Nickolaus A. Smith; Jesper Bendix; Sergei A. Zvyagin; Jinhee Kang; Changhoon Lee; Myung-Hwan Whangbo; Vivien S. Zapf; Alex Plonczak","Structural, Electronic, and Magnetic Properties of Quasi-1D Quantum Magnets [Ni(HF2)(pyz)2]X (pyz = pyrazine; X = PF6-, SbF6-) Exhibiting Ni-FHF-Ni and Ni-pyz-Ni Spin Interactions","Inorganic Chemistry","2011","50","","5990","6009","10.1021/ic102532h","powder diffraction","","0.699301","synchrotron","","","","","","","","","","1.981","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4325472","9.9481","0.0003","9.9421","0.0003","12.5953","0.0004","90","","81.61","0.003","90","","1232.41","0.07","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 F8 N4 Ni P -","- C8 H9 F8 N4 Ni P -","- C32 H36 F32 N16 Ni4 P4 -","4","0.5","","Jamie L. Manson; Saul H. Lapidus; Peter W. Stephens; Peter K. Peterson; Kimberly E. Carreiro; Heather I. Southerland; Tom Lancaster; Stephen J. Blundell; Andrew J. Steele; Paul A. Goddard; Francis L. Pratt; John Singleton; Yoshimitsu Kohama; Ross D. McDonald; Rico E. Del Sesto; Nickolaus A. Smith; Jesper Bendix; Sergei A. Zvyagin; Jinhee Kang; Changhoon Lee; Myung-Hwan Whangbo; Vivien S. Zapf; Alex Plonczak","Structural, Electronic, and Magnetic Properties of Quasi-1D Quantum Magnets [Ni(HF2)(pyz)2]X (pyz = pyrazine; X = PF6-, SbF6-) Exhibiting Ni-FHF-Ni and Ni-pyz-Ni Spin Interactions","Inorganic Chemistry","2011","50","","5990","6009","10.1021/ic102532h","powder diffraction","","0.699389","synchrotron","","","","","","","","","","1.312","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4325473","16.053","0.001","16.053","0.001","6.515","0.0006","90","","90","","90","","1678.9","0.2","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C2 Eu4 F5 N4 -","- C2 Eu4 F5 N4 -","- C16 Eu32 F40 N32 -","8","1","","Leonid Unverfehrt; Markus Ströbele; Jochen Glaser; Thorsten Langer; Rolf-Dieter Hoffmann; Rainer Pöttgen; H.-Jürgen Meyer","Refined Crystal Structure and Idealized Structure of Mixed-Valent Eu4F5(CN2)2: Transition Possible","Inorganic Chemistry","2011","50","","6010","6018","10.1021/ic102556u","","","0.71073","MoKα","","0.0275","0.0203","","","0.0441","0.0459","","","","","","0.959","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325474","15.007","0.002","12.5455","0.0019","21.15","0.003","90","","102.227","0.004","90","","3891.6","1","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H29 Cl2 Mn N4 O3 -","- C48 H29 Cl2 Mn N4 O3 -","- C192 H116 Cl8 Mn4 N16 O12 -","4","1","","Shinya Ikeda; Motoki Toganoh; Hiroyuki Furuta","Synthesis, Reactivity, and Properties of N-Fused Porphyrin Manganese(I) Tricarbonyl Complexes","Inorganic Chemistry","2011","50","","6029","6043","10.1021/ic2000393","","","0.71069","MoKα","","0.0903","0.0582","","","0.1239","0.1351","","","","","","0.934","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325475","10.516","0.002","12.572","0.003","16.811","0.004","73.23","0.004","78.966","0.004","86.013","0.004","2088.4","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H33 Mn N4 O3 -","- C50 H33 Mn N4 O3 -","- C100 H66 Mn2 N8 O6 -","2","1","","Shinya Ikeda; Motoki Toganoh; Hiroyuki Furuta","Synthesis, Reactivity, and Properties of N-Fused Porphyrin Manganese(I) Tricarbonyl Complexes","Inorganic Chemistry","2011","50","","6029","6043","10.1021/ic2000393","","","0.71069","MoKα","","0.182","0.0874","","","0.1681","0.19","","","","","","0.867","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325476","11.079","0.009","12.993","0.011","16.504","0.014","67.149","0.017","78.73","0.02","87.872","0.018","2145","3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H35 Mn N4 O3 -","- C51 H35 Mn N4 O3 -","- C102 H70 Mn2 N8 O6 -","2","1","","Shinya Ikeda; Motoki Toganoh; Hiroyuki Furuta","Synthesis, Reactivity, and Properties of N-Fused Porphyrin Manganese(I) Tricarbonyl Complexes","Inorganic Chemistry","2011","50","","6029","6043","10.1021/ic2000393","","","0.71069","MoKα","","0.077","0.0505","","","0.1225","0.132","","","","","","0.932","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325477","11.8736","0.0018","21.6334","0.0015","27.529","0.0016","90","","98.295","0.003","90","","6997.3","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 N16 O14 Pd2 -","- C56 H72 N16 O14 Pd2 -","- C224 H288 N64 O56 Pd8 -","4","1","","Liao-Yuan Yao; Lin Qin; Ting-Zheng Xie; Yi-Zhi Li; Shu-Yan Yu","Synthesis and Anion Sensing of Water-Soluble Metallomacrocycles","Inorganic Chemistry","2011","50","","6055","6062","10.1021/ic200047t","","","0.71073","MoKα","","0.0784","0.0546","","","0.1192","0.1236","","","","","","1.063","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325478","21.1271","0.001","29.7501","0.0015","14.7561","0.0008","90","","103.105","0.001","90","","9033.2","0.8","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 F24 N12 O4 P4 Pd2 -","- C56 H76 F24 N12 O4 P4 Pd2 -","- C224 H304 F96 N48 O16 P16 Pd8 -","4","0.5","","Liao-Yuan Yao; Lin Qin; Ting-Zheng Xie; Yi-Zhi Li; Shu-Yan Yu","Synthesis and Anion Sensing of Water-Soluble Metallomacrocycles","Inorganic Chemistry","2011","50","","6055","6062","10.1021/ic200047t","","","0.71073","MoKα","","0.0889","0.0574","","","0.1269","0.1366","","","","","","1","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325479","9.8461","0.0006","11.073","0.0007","14.814","0.0009","93.295","0.001","105.099","0.002","98.765","0.001","1533.13","0.16","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H72 Fe2 N16 O14 Pd2 -","- C48 H72 Fe2 N16 O14 Pd2 -","- C48 H72 Fe2 N16 O14 Pd2 -","1","0.5","","Liao-Yuan Yao; Lin Qin; Ting-Zheng Xie; Yi-Zhi Li; Shu-Yan Yu","Synthesis and Anion Sensing of Water-Soluble Metallomacrocycles","Inorganic Chemistry","2011","50","","6055","6062","10.1021/ic200047t","","","0.71073","MoKα","","0.0703","0.0489","","","0.0988","0.1035","","","","","","1.057","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325480","7.497","0.002","16.765","0.005","11.495","0.004","90","","90.351","0.005","90","","1444.7","0.8","300","2","300","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H30 B Cl F4 N8 O2 Ru -","- C22 H30 B Cl F4 N8 O2 Ru -","- C44 H60 B2 Cl2 F8 N16 O4 Ru2 -","2","1","","Isabel Serrano; M. Isabel López; Íngrid Ferrer; Albert Poater; Teodor Parella; Xavier Fontrodona; Miquel Solà; Antoni Llobet; Montserrat Rodríguez; Isabel Romero","New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance","Inorganic Chemistry","2011","50","","6044","6054","10.1021/ic200053f","","","0.71073","MoKα","","0.0504","0.0287","","","0.0719","0.0971","","","","","","1.055","","","","has coordinates,has disorder","179357","2020-10-21","18:00:00",""
"4325481","7.7404","0.0018","17.076","0.004","11.628","0.003","90","","97.103","0.004","90","","1525.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H39 Cl N8 O5 Ru -","- C25 H39 Cl N8 O5 Ru -","- C50 H78 Cl2 N16 O10 Ru2 -","2","1","","Isabel Serrano; M. Isabel López; Íngrid Ferrer; Albert Poater; Teodor Parella; Xavier Fontrodona; Miquel Solà; Antoni Llobet; Montserrat Rodríguez; Isabel Romero","New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance","Inorganic Chemistry","2011","50","","6044","6054","10.1021/ic200053f","","","0.71073","MoKα","","0.0491","0.0374","","","0.0741","0.077","","","","","","1.019","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325482","14.274","0.006","17.815","0.006","18.039","0.007","90","","108.732","0.017","90","","4344","3","89","2","89","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 Cl8 N6 O6 Re2 -","- C38 H26 Cl8 N6 O6 Re2 -","- C152 H104 Cl32 N24 O24 Re8 -","4","1","","Michael G. Fraser; Charlotte A. Clark; Raphael Horvath; Samuel J. Lind; Allan G. Blackman; Xue-Zhong Sun; Michael W. George; Keith C. Gordon","Complete Family of Mono-, Bi-, and Trinuclear ReI(CO)3Cl Complexes of the Bridging Polypyridyl Ligand 2,3,8,9,14,15-Hexamethyl-5,6,11,12,17,18-hexaazatrinapthalene: Syn/Anti Isomer Separation, Characterization, and Photophysics","Inorganic Chemistry","2011","50","","6093","6106","10.1021/ic200136t","","","0.71073","MoKα","","0.0271","0.0227","","","0.0505","0.053","","","","","","0.933","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325483","18.002","0.002","22.581","0.003","11.232","0.0015","90","","95.731","0.008","90","","4543","1","91","2","91","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H26 Cl5 N6 O9 Re3 -","- C40 H26 Cl5 N6 O9 Re3 -","- C160 H104 Cl20 N24 O36 Re12 -","4","0.5","","Michael G. Fraser; Charlotte A. Clark; Raphael Horvath; Samuel J. Lind; Allan G. Blackman; Xue-Zhong Sun; Michael W. George; Keith C. Gordon","Complete Family of Mono-, Bi-, and Trinuclear ReI(CO)3Cl Complexes of the Bridging Polypyridyl Ligand 2,3,8,9,14,15-Hexamethyl-5,6,11,12,17,18-hexaazatrinapthalene: Syn/Anti Isomer Separation, Characterization, and Photophysics","Inorganic Chemistry","2011","50","","6093","6106","10.1021/ic200136t","","","0.71069","MoKα","","0.0381","0.0354","","","0.0931","0.0954","","","","","","1.101","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325484","12.4046","0.0019","12.482","0.002","17.162","0.003","79.928","0.014","78.168","0.011","60.612","0.013","2257.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Cl2 Co N14 O8 -","- C38 H42 Cl2 Co N14 O8 -","- C76 H84 Cl4 Co2 N28 O16 -","2","1","","David Schweinfurth; Fritz Weisser; Denis Bubrin; Lapo Bogani; Biprajit Sarkar","Cobalt Complexes with ""Click""-Derived Functional Tripodal Ligands: Spin Crossover and Coordination Ambivalence","Inorganic Chemistry","2011","50","","6114","6121","10.1021/ic200246v","","","0.71073","MoKα","","0.0648","0.051","","","0.1351","0.1398","","","","","","0.963","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325485","10.1818","0.0015","11.4013","0.0018","13.982","0.002","94.385","0.011","104.667","0.009","93.441","0.012","1560.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cl2 Co N20 O8 -","- C60 H60 Cl2 Co N20 O8 -","- C60 H60 Cl2 Co N20 O8 -","1","0.5","","David Schweinfurth; Fritz Weisser; Denis Bubrin; Lapo Bogani; Biprajit Sarkar","Cobalt Complexes with ""Click""-Derived Functional Tripodal Ligands: Spin Crossover and Coordination Ambivalence","Inorganic Chemistry","2011","50","","6114","6121","10.1021/ic200246v","","","0.71073","MoKα","","0.0653","0.0453","","","0.1183","0.1243","","","","","","0.917","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325486","17.9903","0.0003","18.387","0.0002","18.3964","0.0003","90","","90","","90","","6085.3","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H84 Cl2 Co N20 O8 -","- C54 H84 Cl2 Co N20 O8 -","- C216 H336 Cl8 Co4 N80 O32 -","4","0.5","","David Schweinfurth; Fritz Weisser; Denis Bubrin; Lapo Bogani; Biprajit Sarkar","Cobalt Complexes with ""Click""-Derived Functional Tripodal Ligands: Spin Crossover and Coordination Ambivalence","Inorganic Chemistry","2011","50","","6114","6121","10.1021/ic200246v","","","0.71073","MoKα","","0.073","0.0503","","","0.1055","0.1153","","","","","","1.079","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325487","13.493","0.002","28.102","0.005","29.703","0.005","90","","90","","90","","11263","3","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C29 H29 Fe N3 O2 -","- C29 H29 Fe N3 O2 -","- C464 H464 Fe16 N48 O32 -","16","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.069","0.0587","","","0.1237","0.129","","","","","","1.213","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325488","34.823","0.004","16.292","0.002","17.32","0.002","90","","110.544","0.003","90","","9201.3","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H37 Fe N3 O2 -","- C33 H37 Fe N3 O2 -","- C396 H444 Fe12 N36 O24 -","12","1.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.0844","0.0549","","","0.1214","0.1483","","","","","","1.087","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325489","37.654","0.006","13.255","0.002","25.791","0.004","90","","128.674","0.005","90","","10050","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 Fe N3 O2 -","- C35 H41 Fe N3 O2 -","- C420 H492 Fe12 N36 O24 -","12","1.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.0493","0.0362","","","0.0824","0.0892","","","","","","1.029","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325490","13.568","0.0019","11.685","0.0016","19.236","0.003","90","","104.329","0.002","90","","2954.8","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 Fe N3 O2 -","- C31 H33 Fe N3 O2 -","- C124 H132 Fe4 N12 O8 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.0367","0.0316","","","0.0774","0.0805","","","","","","1.063","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325491","14.461","0.003","18.341","0.003","27.896","0.005","90","","90","","90","","7399","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H49 Fe N3 O2 -","- C39 H49 Fe N3 O2 -","- C312 H392 Fe8 N24 O16 -","8","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.1347","0.0638","","","0.1207","0.1477","","","","","","1.012","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325492","21.884","0.003","16.018","0.002","20.621","0.003","90","","104.327","0.002","90","","7003.6","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Fe N2 O2 -","- C38 H52 Fe N2 O2 -","- C304 H416 Fe8 N16 O16 -","8","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.0678","0.0559","","","0.1216","0.1297","","","","","","1.129","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325493","13.131","0.002","15.622","0.003","19.182","0.004","90","","109.558","0.003","90","","3707.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Fe N2 O2 -","- C46 H36 Fe N2 O2 -","- C184 H144 Fe4 N8 O8 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.0292","0.0273","","","0.0737","0.0753","","","","","","1.031","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325494","10.7648","0.0006","10.7648","0.0006","37.937","0.003","90","","90","","90","","4396.2","0.5","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H64 Fe N2 O8 Si2 -","- C34 H64 Fe N2 O8 Si2 -","- C136 H256 Fe4 N8 O32 Si8 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.0533","0.0463","","","0.1119","0.1174","","","","","","1.044","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325495","9.74","0.002","22.662","0.005","16.299","0.003","90","","101.432","0.004","90","","3526.3","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H55 Fe O3 n -","- C37 H55 Fe N O3 -","- C148 H220 Fe4 N4 O12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.0466","0.0371","","","0.0942","0.1003","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325496","10.5954","0.0005","10.5954","0.0005","10.5954","0.0005","97.214","0.001","97.214","0.001","97.214","0.001","1158.57","0.09","173","2","173","2","","","","","","","","4","R 3 :R","P 3*","146","","","","- C54 H39 Fe O3 -","- C54 H39 Fe O3 -","- C54 H39 Fe O3 -","1","0.333333","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.0735","0.0729","","","0.1905","0.1914","","","","","","1.086","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325497","64.054","0.013","9.434","0.0019","23.507","0.005","90","","100.035","0.007","90","","13988","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Fe O4 -","- C44 H42 Fe O4 -","- C704 H672 Fe16 O64 -","16","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.1839","0.1718","","","0.2862","0.2915","","","","","","1.399","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325498","8.8636","0.0003","28.9754","0.0007","10.1774","0.0004","90","","102.853","0.004","90","","2548.33","0.15","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N5 O14 Pr Zn -","- C19 H22 N5 O14 Pr Zn -","- C76 H88 N20 O56 Pr4 Zn4 -","4","1","","Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh","Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes","Inorganic Chemistry","2011","50","","5879","5889","10.1021/ic200426w","","","0.71073","MoKα","","0.0322","0.0271","","0.022","0.0216","0.0213","","","","","","1.1648","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325499","8.9838","0.0003","29.4974","0.0013","10.1127","0.0004","90","","103.122","0.003","90","","2609.88","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N5 O14 Sm Zn -","- C19 H20 N5 O14 Sm Zn -","- C76 H80 N20 O56 Sm4 Zn4 -","4","1","","Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh","Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes","Inorganic Chemistry","2011","50","","5879","5889","10.1021/ic200426w","","","0.71073","MoKα","","0.0701","0.0557","","","0.1373","0.1447","","","","","","1.042","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325500","8.9308","0.0004","29.2003","0.0009","10.1584","0.0005","90","","103.682","0.003","90","","2573.96","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N5 O14 Tb Zn -","- C19 H20 N5 O14 Tb Zn -","- C76 H80 N20 O56 Tb4 Zn4 -","4","1","","Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh","Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes","Inorganic Chemistry","2011","50","","5879","5889","10.1021/ic200426w","","","0.71073","MoKα","","0.0722","0.0524","","","0.1064","0.1132","","","","","","1.048","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325501","9.3675","0.0002","9.4338","0.0002","15.9583","0.0004","103.582","0.001","100.662","0.001","97.038","0.001","1326.66","0.05","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 N5 O16 Tb Zn -","- C19 H26 N5 O16 Tb Zn -","- C38 H52 N10 O32 Tb2 Zn2 -","2","1","","Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh","Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes","Inorganic Chemistry","2011","50","","5879","5889","10.1021/ic200426w","","","0.71073","MoKα","","0.0184","0.0161","","0.0179","0.0171","0.017","","","","","","1.1002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325502","8.8412","0.0002","29.0027","0.001","10.0702","0.0003","90","","103.294","0.003","90","","2512.99","0.13","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Dy N5 O14 Zn -","- C19 H20 Dy N5 O14 Zn -","- C76 H80 Dy4 N20 O56 Zn4 -","4","1","","Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh","Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes","Inorganic Chemistry","2011","50","","5879","5889","10.1021/ic200426w","","","0.71073","MoKα","","0.0339","0.0182","","0.025","0.0212","0.0212","","","","","","1.1099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325503","9.3967","0.0008","9.5343","0.0008","16.0729","0.0014","103.557","0.007","100.567","0.007","97.521","0.007","1353.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Dy N5 O16 Zn -","- C19 H20 Dy N5 O16 Zn -","- C38 H40 Dy2 N10 O32 Zn2 -","2","1","","Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh","Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes","Inorganic Chemistry","2011","50","","5879","5889","10.1021/ic200426w","","","0.71073","MoKα","","0.0489","0.0434","","","0.1105","0.1131","","","","","","1.04","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325504","9.3898","0.0007","9.5319","0.0007","16.0509","0.0011","103.713","0.006","100.432","0.006","97.474","0.006","1349.89","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Ho N5 O16 Zn -","- C19 H20 Ho N5 O16 Zn -","- C38 H40 Ho2 N10 O32 Zn2 -","2","1","","Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh","Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes","Inorganic Chemistry","2011","50","","5879","5889","10.1021/ic200426w","","","0.71073","MoKα","","0.0372","0.0301","","","0.0669","0.0692","","","","","","1.074","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325505","9.3366","0.0002","9.4071","0.0002","15.8396","0.0004","103.613","0.002","100.471","0.002","97.201","0.002","1308.86","0.05","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 N5 O16 Tm Zn -","- C19 H26 N5 O16 Tm Zn -","- C38 H52 N10 O32 Tm2 Zn2 -","2","1","","Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh","Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes","Inorganic Chemistry","2011","50","","5879","5889","10.1021/ic200426w","","","0.71073","MoKα","","0.0271","0.025","","0.0288","0.0282","0.0281","","","","","","1.1007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325506","9.8448","0.0003","17.4207","0.0007","18.2862","0.0005","90","","91.57","0.002","90","","3134.97","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 La N7 Ni O13 -","- C23 H26 La N7 Ni O13 -","- C92 H104 La4 N28 Ni4 O52 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0698","0.0433","","","0.0766","0.0834","","","","","","1.109","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325507","9.8353","0.0003","17.3914","0.0007","18.1987","0.0006","90","","91.811","0.003","90","","3111.33","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N7 Ni O13 Pr -","- C23 H26 N7 Ni O13 Pr -","- C92 H104 N28 Ni4 O52 Pr4 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0772","0.048","","","0.0942","0.1028","","","","","","1.073","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325508","12.5639","0.0005","14.7667","0.0006","19.3364","0.0009","90","","90","","90","","3587.4","0.3","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N8 Ni O14 Sm -","- C25 H29 N8 Ni O14 Sm -","- C100 H116 N32 Ni4 O56 Sm4 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0502","0.0355","","0.0391","0.0357","0.0357","","","","","","1.0203","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325509","13.5488","0.0011","10.4531","0.0006","24.351","0.002","90","","98.71","0.01","90","","3409","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 N7 Ni O18 Tb -","- C23 H36 N7 Ni O18 Tb -","- C92 H144 N28 Ni4 O72 Tb4 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0378","0.0244","","","0.048","0.0501","","","","","","0.896","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325510","13.1659","0.0004","10.4172","0.0003","23.6189","0.0006","90","","91.144","0.001","90","","3238.73","0.16","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Er N8 Ni O13 -","- C25 H29 Er N8 Ni O13 -","- C100 H116 Er4 N32 Ni4 O52 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0425","0.0279","","0.0323","0.0247","0.0236","","","","","","1.0973","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325511","17.9538","0.0006","11.3152","0.0004","32.2403","0.0011","90","","90.983","0.003","90","","6548.7","0.4","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H63 Ce2 N15 Ni2 O30 -","- C48 H63 Ce2 N15 Ni2 O30 -","- C192 H252 Ce8 N60 Ni8 O120 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0694","0.0489","","0.0448","0.0394","0.0381","","","","","","1.1036","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325512","18.4138","0.0005","19.6726","0.0003","35.2354","0.0008","90","","90","","90","","12763.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H53 N14 Nd2 Ni2 O27.5 -","- C46 H49 N14 Nd2 Ni2 O27.5 -","- C368 H392 N112 Nd16 Ni16 O220 -","8","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0945","0.0655","","","0.1605","0.1854","","","","","","1.047","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325513","23.81","0.0017","10.4107","0.0008","13.208","0.001","90","","89.727","0.009","90","","3273.9","0.4","180","2","180","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 Gd N8 Ni O13 -","- C25 H29 Gd N8 Ni O13 -","- C100 H116 Gd4 N32 Ni4 O52 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0552","0.0457","","","0.1238","0.13","","","","","","1.06","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325514","13.5166","0.0002","10.4131","0.0002","24.2996","0.0005","90","","98.6689","0.0018","90","","3381.09","0.11","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Dy N7 Ni O18 -","- C23 H36 Dy N7 Ni O18 -","- C92 H144 Dy4 N28 Ni4 O72 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0301","0.0256","","0.0244","0.0234","0.0232","","","","","","1.1112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325515","11.1489","0.0004","17.1833","0.0007","15.3045","0.0007","90","","108.659","0.002","90","","2777.9","0.2","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 N8 Ni2 O30 Yb2 -","- C38 H58 N8 Ni2 O30 Yb2 -","- C76 H116 N16 Ni4 O60 Yb4 -","2","0.5","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0578","0.0334","","0.0578","0.0333","0.0318","","","","","","1.0856","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325516","13.0013","0.0005","19.1571","0.001","28.4531","0.0013","90","","97.222","0.002","90","","7030.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H110 N3 O28 Te V9 -","- C48 H108 N3 O28 Te V9 -","- C192 H432 N12 O112 Te4 V36 -","4","1","","Saki Konaka; Yoshiki Ozawa; Takahiro Shonaka; Shinta Watanabe; Atsushi Yagasaki","[HxTeV9O28](5-x)- (x= 1 and 2): Vanadotellurates with Decavanadate Structure","Inorganic Chemistry","2011","50","","6183","6188","10.1021/ic200438p","","","0.71073","MoKα","","0.0539","0.0443","","","0.0919","0.096","","","","","","1.114","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325517","16.7102","0.0006","17.468","0.0007","17.9634","0.0007","74.412","0.001","67.494","0.001","74.16","0.002","4579.9","0.3","150","2","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H151 N6 O28 Te V9 -","- C68 H146 N6 O28 Te V9 -","- C136 H292 N12 O56 Te2 V18 -","2","1","","Saki Konaka; Yoshiki Ozawa; Takahiro Shonaka; Shinta Watanabe; Atsushi Yagasaki","[HxTeV9O28](5-x)- (x= 1 and 2): Vanadotellurates with Decavanadate Structure","Inorganic Chemistry","2011","50","","6183","6188","10.1021/ic200438p","","x-ray","0.71073","MoKα","","0.0849","0.0614","","","0.1681","0.2051","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325518","12.28","0.002","19.093","0.004","23.928","0.004","111.889","0.003","98.687","0.003","90.272","0.003","5134.6","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H168 B2 Cl2 O P8 Ru2 -","- C106 H168 B2 Cl2 O P8 Ru2 -","- C212 H336 B4 Cl4 O2 P16 Ru4 -","2","1","","Mohan M. Bhadbhade; Leslie D. Field; Ryan Gilbert-Wilson; Ruth W. Guest; Paul Jensen","Ruthenium Hydride Complexes of the Hindered Phosphine Ligand Tris(3-diisopropylphosphinopropyl)phosphine","Inorganic Chemistry","2011","50","","6220","6228","10.1021/ic200492w","","","0.71073","MoKα","","0.0496","0.0322","","","0.0754","0.0851","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325519","17.099","0.002","17.3858","0.0017","21.692","0.003","90","","100.723","0.004","90","","6336","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H62 P4 Ru -","- C27 H62 P4 Ru -","- C216 H496 P32 Ru8 -","8","2","","Mohan M. Bhadbhade; Leslie D. Field; Ryan Gilbert-Wilson; Ruth W. Guest; Paul Jensen","Ruthenium Hydride Complexes of the Hindered Phosphine Ligand Tris(3-diisopropylphosphinopropyl)phosphine","Inorganic Chemistry","2011","50","","6220","6228","10.1021/ic200492w","","","0.71073","MoKα","","0.077","0.0426","","","0.1098","0.1417","","","","","","0.79","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325520","16.4283","0.0007","17.7729","0.0006","18.117","0.0006","90","","105.892","0.001","90","","5087.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 B O P4 Ru -","- C52 H83 B O0.5 P4 Ru -","- C208 H332 B4 O2 P16 Ru4 -","4","1","","Mohan M. Bhadbhade; Leslie D. Field; Ryan Gilbert-Wilson; Ruth W. Guest; Paul Jensen","Ruthenium Hydride Complexes of the Hindered Phosphine Ligand Tris(3-diisopropylphosphinopropyl)phosphine","Inorganic Chemistry","2011","50","","6220","6228","10.1021/ic200492w","","","0.71073","MoKα","","0.0662","0.046","","","0.0931","0.1007","","","","","","1.102","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325521","7.3934","0.0003","13.3296","0.0005","15.4432","0.0005","111.865","0.002","90.637","0.002","104.867","0.002","1355.49","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 O23 U4 -","- C16 H8 O23 U4 -","- C32 H16 O46 U8 -","2","1","","Ionut Mihalcea; Natacha Henry; Nicolas Clavier; Nicolas Dacheux; Thierry Loiseau","Occurence of an Octanuclear Motif of Uranyl Isophthalate with Cation-Cation Interactions through Edge-Sharing Connection Mode","Inorganic Chemistry","2011","50","","6243","6249","10.1021/ic2005584","","","0.71073","MoKα","","0.0488","0.0289","","","0.0682","0.0845","","","","","","1.071","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325522","11.839","0.002","13.792","0.003","19.361","0.003","90","","90","","90","","3161.3","1","200","2","200","2","","","","","","","synthesis as described","5","P n a m","-P 2c 2n","62","","","","- C30 H45 N O3 Ti3 -","- C30 H45 N O3 Ti3 -","- C120 H180 N4 O12 Ti12 -","4","0.5","","Sonia Aguado-Ullate; Jorge J. Carbó; Octavio González-del Moral; Avelino Martín; Miguel Mena; Josep.-M. Poblet; Cristina Santamaría","Ammonia Activation by μ3-Alkylidyne Fragments Supported on a Titanium Molecular Oxide Model","Inorganic Chemistry","2011","50","","6269","6279","10.1021/ic2006327","","x-ray","0.71073","MoKα","","0.0722","0.0494","","","0.1219","0.1375","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325523","35.518","0.006","9.8685","0.0016","24.544","0.005","90","","125.912","0.006","90","","6968","2","100","2","100","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C23 H44 B F Fe3 Mo N6 O0.5 P2 S4 -","- C23 H44 B F Fe3 Mo N6 O0.5 P2 S4 -","- C184 H352 B8 F8 Fe24 Mo8 N48 O4 P16 S32 -","8","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.035","0.0241","","","0.0528","0.0569","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325524","14.76","0.003","12.367","0.003","19.127","0.004","90","","106.32","0.004","90","","3350.7","1.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 B Cl Fe3 Mo N6 P2 S4 -","- C21 H40 B Cl Fe3 Mo N6 P2 S4 -","- C84 H160 B4 Cl4 Fe12 Mo4 N24 P8 S16 -","4","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.0959","0.0558","","","0.1417","0.1757","","","","","","1.098","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325525","14.585","0.006","12.409","0.005","18.896","0.008","90","","105.5","0.02","90","","3296","2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 B Br Fe3 Mo N6 P2 S4 -","- C21 H40 B Br Fe3 Mo N6 P2 S4 -","- C84 H160 B4 Br4 Fe12 Mo4 N24 P8 S16 -","4","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.0726","0.0431","","","0.0973","0.1216","","","","","","1.033","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325526","15.2679","0.0013","16.2173","0.0013","28.031","0.002","90","","90","","90","","6940.6","1","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C21 H40 B Fe3 I Mo N6 P2 S4 -","- C21 H40 B Fe3 I Mo N6 P2 S4 -","- C168 H320 B8 Fe24 I8 Mo8 N48 P16 S32 -","8","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.0489","0.0318","","","0.066","0.0728","","","","","","1.023","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325527","10.4374","0.0005","15.5706","0.0007","23.0073","0.001","75.923","0.001","82.991","0.001","73.169","0.001","3466.1","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H40 B Fe3 Mo N9 P2 S4 -","- C21 H40 B Fe3 Mo N9 P2 S4 -","- C84 H160 B4 Fe12 Mo4 N36 P8 S16 -","4","2","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.0743","0.0377","","","0.0755","0.0889","","","","","","0.955","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325528","11.683","0.002","18.803","0.003","22.516","0.004","65.571","0.003","75.347","0.004","89.576","0.004","4330.3","1.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H98 B2 Fe6 Mo2 N12 P4 S10 Si2 -","- C48 H98 B2 Fe6 Mo2 N12 P4 S10 Si2 -","- C96 H196 B4 Fe12 Mo4 N24 P8 S20 Si4 -","2","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.1524","0.0686","","","0.1269","0.1406","","","","","","1.045","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325529","10.5481","0.0005","11.1605","0.0005","22.2512","0.0011","80.553","0.003","84.709","0.003","61.897","0.002","2278.96","0.19","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C30 H61 B Fe3 Mo N6 P2 S5 Si -","- C30 H61 B Fe3 Mo N6 P2 S5 Si -","- C60 H122 B2 Fe6 Mo2 N12 P4 S10 Si2 -","2","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.1029","0.066","","","0.1871","0.2134","","","","","","1.068","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325530","10.6968","0.0004","10.9806","0.0004","23.6575","0.001","94.202","0.002","99.012","0.002","117.744","0.001","2394.72","0.16","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C39 H55 B Fe3 Mo N6 P2 S5 Si -","- C39 H55 B Fe3 Mo N6 P2 S5 Si -","- C78 H110 B2 Fe6 Mo2 N12 P4 S10 Si2 -","2","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.0697","0.0573","","","0.1388","0.1488","","","","","","1.036","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325531","17.361","0.008","26.451","0.012","12.831","0.006","90","","111.334","0.006","90","","5488","4","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 B Cl2 Fe3 Mo N6 O0.5 P2 S4 -","- C41 H45 B Cl2 Fe3 Mo N6 O0.5 P2 S4 -","- C164 H180 B4 Cl8 Fe12 Mo4 N24 O2 P8 S16 -","4","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.1211","0.0767","","","0.1812","0.2003","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325532","12.93","0.0006","17.395","0.0008","26.2891","0.0012","90.582","0.003","92.433","0.003","111.48","0.003","5495.1","0.5","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C83 H100 B2 Br2 Cl12 Fe6 Mo2 N12 P4 S8 -","- C83 H100 B2 Br2 Cl12 Fe6 Mo2 N12 P4 S8 -","- C166 H200 B4 Br4 Cl24 Fe12 Mo4 N24 P8 S16 -","2","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.1373","0.0898","","","0.1892","0.2113","","","","","","1.038","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325533","17.021","0.003","17.021","0.003","23.45","0.005","90","","90","","120","","5883.6","1.9","100","2","100","2","","","","","","","","8","P -3","-P 3","147","","","","- C87 H140 B4 Fe9 Mo3 N18 P6 S13 -","- C87 H140 B4 Fe9 Mo3 N18 P6 S13 -","- C174 H280 B8 Fe18 Mo6 N36 P12 S26 -","2","0.333333","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.1197","0.0696","","","0.1693","0.1959","","","","","","1.072","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325534","17.519","0.002","17.519","0.002","2.967","0.0004","90","","90","","90","","910.62","0.19","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- B8 Fe2.88 Ru18 Ti8.12 -","- B8 Fe2.89 Ru18 Ti8.11 -","- B16 Fe5.78 Ru36 Ti16.22 -","2","0.125","","Christian Goerens; Jakoah Brgoch; Gordon J. Miller; Boniface P. T. Fokwa","Scaffolding, Ladders, Chains, and Rare Ferrimagnetism in Intermetallic Borides: Synthesis, Crystal Chemistry and Magnetism","Inorganic Chemistry","2011","50","","6289","6296","10.1021/ic200668j","","","0.71073","MoKα","","0.0396","0.0273","","","0.0519","0.0556","","","","","","1.074","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325535","6.6363","0.0008","15.4395","0.0019","11.5829","0.0014","90","","103.549","0.001","90","","1153.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hydroxotris(dioxoneptunium(V)) selenite trihydrate","","","- H7 Np3 O13 Se -","- Np3 O13 Se -","- Np12 O52 Se4 -","4","1","","Geng Bang Jin; S. Skanthakumar; L. Soderholm","Two New Neptunyl(V) Selenites: A Novel Cation-Cation Interaction Framework in (NpO2)3(OH)(SeO3)(H2O)2.H2O and a Uranophane-Type Sheet in Na(NpO2)(SeO3)(H2O)","Inorganic Chemistry","2011","50","","6297","6303","10.1021/ic200696g","","","0.71073","MoKα","","0.0394","0.0387","","","0.0903","0.0906","","","","","","1.319","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325536","14.874","0.004","7.271","0.002","6.7583","0.0018","90","","112.005","0.004","90","","677.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sodium dioxoneptunium(V) selenite hydrate","","","- H2 Na Np O6 Se -","- Na Np O6 Se -","- Na4 Np4 O24 Se4 -","4","0.5","","Geng Bang Jin; S. Skanthakumar; L. Soderholm","Two New Neptunyl(V) Selenites: A Novel Cation-Cation Interaction Framework in (NpO2)3(OH)(SeO3)(H2O)2.H2O and a Uranophane-Type Sheet in Na(NpO2)(SeO3)(H2O)","Inorganic Chemistry","2011","50","","6297","6303","10.1021/ic200696g","","","0.71073","MoKα","","0.0557","0.0477","","","0.112","0.1173","","","","","","1.078","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325537","6.4671","0.0003","11.7923","0.0006","12.1807","0.0009","112.285","0.002","90.944","0.002","105.83","0.001","819.41","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Co N8 O3 -","- C13 H15 Co N8 O3 -","- C26 H30 Co2 N16 O6 -","2","1","","Yan-Qin Wang; Xiu-Mei Zhang; Xiu-Bing Li; Bing-Wu Wang; En-Qing Gao","Magnetic Systems with Mixed Carboxylate and Azide Bridges: Slow Relaxation in Co(II) Metamagnet and Spin Frustration in Mn(II) Compound","Inorganic Chemistry","2011","50","","6314","6322","10.1021/ic200732f","","","0.71073","MoKα","","0.0302","0.028","","","0.0818","0.0837","","","","","","1.096","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325538","14.3723","0.0005","23.3952","0.0009","9.8676","0.0004","90","","129.655","0.001","90","","2554.46","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Mn2 N14 O4.5 -","- C20 H17 Mn2 N14 O4.5 -","- C80 H68 Mn8 N56 O18 -","4","0.5","","Yan-Qin Wang; Xiu-Mei Zhang; Xiu-Bing Li; Bing-Wu Wang; En-Qing Gao","Magnetic Systems with Mixed Carboxylate and Azide Bridges: Slow Relaxation in Co(II) Metamagnet and Spin Frustration in Mn(II) Compound","Inorganic Chemistry","2011","50","","6314","6322","10.1021/ic200732f","","","0.71073","MoKα","","0.0437","0.041","","","0.1178","0.121","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325539","8.1165","0.0004","10.6126","0.0005","11.6382","0.0006","90","","107.224","0.003","90","","957.52","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 N2 Ni O2 -","- C18 H36 N2 Ni O2 -","- C36 H72 N4 Ni2 O4 -","2","0.5","","Derek Isrow; Burjor Captain","Synthesis and Reactivity of a Transition Metal Complex Containing Exclusively TEMPO Ligands: Ni(η2-TEMPO)2","Inorganic Chemistry","2011","50","","5864","5866","10.1021/ic2007342","","","0.71073","MoKα","","0.036","0.0315","","","0.083","0.0879","","","","","","1.057","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325540","7.7242","0.0003","21.8142","0.0008","15.2535","0.0006","90","","92.041","0.007","90","","2568.54","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H45 N3 Ni O2 -","- C23 H45 N3 Ni O2 -","- C92 H180 N12 Ni4 O8 -","4","1","","Derek Isrow; Burjor Captain","Synthesis and Reactivity of a Transition Metal Complex Containing Exclusively TEMPO Ligands: Ni(η2-TEMPO)2","Inorganic Chemistry","2011","50","","5864","5866","10.1021/ic2007342","","","0.71073","MoKα","","0.0258","0.0234","","","0.0581","0.059","","","","","","1.075","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325541","8.3519","0.0003","12.3164","0.0004","14.5401","0.0005","111.558","0.0005","95.888","0.0005","107.73","0.0004","1285.55","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 N2 Ni O2 -","- C26 H42 N2 Ni O2 -","- C52 H84 N4 Ni2 O4 -","2","1","","Derek Isrow; Burjor Captain","Synthesis and Reactivity of a Transition Metal Complex Containing Exclusively TEMPO Ligands: Ni(η2-TEMPO)2","Inorganic Chemistry","2011","50","","5864","5866","10.1021/ic2007342","","","0.71073","MoKα","","0.0225","0.0217","","","0.0569","0.0574","","","","","","1.043","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325542","11.7882","0.0003","7.6411","0.0002","5.7686","0.0002","90","","100.438","0.003","90","","511.01","0.03","20","0.2","20","0.2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl4 Cs2 O2 U -","- Cl4 Cs4 O2 U4 -","- Cl8 Cs8 O4 U8 -","2","0.25","","Vladimir V. Zhurov; Elizabeth A. Zhurova; A. Alan Pinkerton","Chemical Bonding in Cesium Uranyl Chloride Based on the Experimental Electron Density Distribution","Inorganic Chemistry","2011","50","","6330","6333","10.1021/ic200759u","","","0.71073","MoKα","","","0.0072","","","","0.0061","0.0082","","","","","1.1084","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325543","7.2717","0.0003","16.3061","0.0007","13.4983","0.0006","90","","90","","90","","1600.53","0.12","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O15 Si6 U -","- Cs2 O15 Si6 U -","- Cs8 O60 Si24 U4 -","4","0.5","","Hsin-Kuan Liu; Kwang-Hwa Lii","Cs2USi6O15: A Tetravalent Uranium Silicate","Inorganic Chemistry","2011","50","","5870","5872","10.1021/ic200771p","","","0.71073","MoKα","","0.0251","0.0225","","","0.0441","0.0447","","","","","","1.073","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325544","9.659","0.005","9.496","0.005","20.364","0.01","90","","92.834","0.019","90","","1865.5","1.7","91","2","91","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 B2 F8 Fe2 N10 Pd -","- C38 H34 B2 F8 Fe2 N10 Pd -","- C76 H68 B4 F16 Fe4 N20 Pd2 -","2","0.5","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0719","0.046","","","0.1071","0.1212","","","","","","1.031","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325545","9.5416","0.0009","9.5505","0.0009","11.0996","0.0012","67.881","0.007","68.276","0.006","73.234","0.007","857.32","0.16","91","2","91","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 B2 F8 N10 Pd -","- C32 H30 B2 F8 N10 Pd -","- C32 H30 B2 F8 N10 Pd -","1","0.5","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.051","0.0468","","","0.0878","0.09","","","","","","1.051","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325546","11.138","0.002","17.502","0.003","20.303","0.004","76.856","0.008","86.458","0.008","77.169","0.008","3757.6","1.2","91","2","91","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H32 B2 F8 Fe2 N8 O0.75 Pd -","- C36 H32 B2 F8 Fe2 N8 O0.75 Pd -","- C144 H128 B8 F32 Fe8 N32 O3 Pd4 -","4","2","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0763","0.0495","","","0.0791","0.0884","","","","","","1.037","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325547","10.2602","0.0019","9.2476","0.0015","17.478","0.003","90","","99.84","0.008","90","","1634","0.5","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N4 -","- C22 H16 N4 -","- C88 H64 N16 -","4","1","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0668","0.0513","","","0.1239","0.1326","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325548","10.232","0.002","11.358","0.002","14.874","0.003","90","","96.311","0.006","90","","1718.1","0.6","91","2","91","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B2 F8 N10 Pd -","- C32 H30 B2 F8 N10 Pd -","- C64 H60 B4 F16 N20 Pd2 -","2","0.5","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0225","0.0202","","","0.0487","0.05","","","","","","1.041","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325549","7.5443","0.0006","9.8221","0.0008","9.8607","0.0008","89.426","0.004","68.482","0.004","77.336","0.004","661.22","0.1","91","2","91","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B2 F8 N8 Pd -","- C26 H20 B2 F8 N8 Pd -","- C26 H20 B2 F8 N8 Pd -","1","0.5","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0197","0.0192","","","0.0463","0.0466","","","","","","1.098","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325550","5.8286","0.0016","20.066","0.005","11.83","0.003","90","","92.795","0.012","90","","1382","0.6","91","2","91","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Fe N4 -","- C17 H14 Fe N4 -","- C68 H56 Fe4 N16 -","4","1","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0762","0.0654","","","0.1715","0.1805","","","","","","1.153","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325551","5.2874","0.0005","9.1829","0.001","15.3551","0.0016","74.415","0.007","86.265","0.007","88.227","0.007","716.54","0.13","91","2","91","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 B2 F8 N10 Pd -","- C26 H22 B2 F8 N10 Pd -","- C26 H22 B2 F8 N10 Pd -","1","0.5","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0292","0.0256","","","0.0527","0.0543","","","","","","1.032","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325552","11.0379","0.0009","10.724","0.0008","15.4582","0.0011","90","","98.057","0.004","90","","1811.7","0.2","91","2","91","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 B2 F8 N10 Pd -","- C34 H34 B2 F8 N10 Pd -","- C68 H68 B4 F16 N20 Pd2 -","2","0.5","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0345","0.0257","","","0.06","0.0635","","","","","","1.061","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325553","8.7988","0.0013","9.6946","0.0013","11.9832","0.0017","70.725","0.007","71.238","0.007","83.949","0.007","913.6","0.2","91","2","91","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 B2 F8 N8 Pd -","- C32 H48 B2 F8 N8 Pd -","- C32 H48 B2 F8 N8 Pd -","1","0.5","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0281","0.0265","","","0.0665","0.0679","","","","","","1.087","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325554","24.149","0.004","24.149","0.004","13.576","0.005","90","","90","","90","","7917","3","91","2","91","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C44 H32 B2 F8 N8 Pd -","- C44 H32 B2 F8 N8 Pd -","- C352 H256 B16 F64 N64 Pd8 -","8","0.5","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0917","0.0627","","","0.1745","0.2005","","","","","","1.072","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325555","8.111","0.003","8.746","0.003","24.179","0.008","90.852","0.012","96.818","0.012","104.357","0.011","1648.2","1","91","2","91","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H66.5 B2 F8 N11.5 O20 Pd -","- C53 H66.5 B2 F8 N11.5 O20 Pd -","- C53 H66.5 B2 F8 N11.5 O20 Pd -","1","1","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0832","0.0686","","","0.1601","0.1692","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325556","14.989","0.003","10.953","0.003","17.171","0.004","90","","96.398","0.009","90","","2801.5","1.2","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H63 B2 F8 N9 O4 Pd -","- C54 H63 B2 F8 N9 O4 Pd -","- C108 H126 B4 F16 N18 O8 Pd2 -","2","1","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71069","MoKα","","0.1111","0.0732","","","0.1731","0.1977","","","","","","1.024","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325557","9.3827","0.0008","17.595","0.0016","10.9841","0.001","90","","112.618","0.004","90","","1673.9","0.3","91","2","91","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 -","- C22 H16 N4 -","- C88 H64 N16 -","4","1","","Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley","Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole ""Click"" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study","Inorganic Chemistry","2011","50","","6334","6346","10.1021/ic200789b","","","0.71073","MoKα","","0.0524","0.0369","","","0.0885","0.0961","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325558","8.0146","0.0002","10.4446","0.0003","24.5562","0.0007","90","","93.728","0.002","90","","2051.23","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl2 N4 Zn -","- C18 H32 Cl2 N4 Zn -","- C72 H128 Cl8 N16 Zn4 -","4","1","","Mario Carrasco; Riccardo Peloso; Irene Resa; Amor Rodríguez; Luis Sánchez; Eleuterio Álvarez; Celia Maya; Rafael Andreu; Juan José Calvente; Agustín Galindo; Ernesto Carmona","Chemical Reactivity and Electrochemistry of Metal-Metal-Bonded Zincocenes","Inorganic Chemistry","2011","50","","6361","6371","10.1021/ic200816f","","","0.71073","MoKα","","0.0416","0.0309","","","0.0725","0.0774","","","","","","1.043","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325559","10.7913","0.0008","15.3326","0.0013","22.3159","0.0016","90","","95.31","0.002","90","","3676.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H55 Zn -","- C43 H55 Zn -","- C172 H220 Zn4 -","4","1","","Mario Carrasco; Riccardo Peloso; Irene Resa; Amor Rodríguez; Luis Sánchez; Eleuterio Álvarez; Celia Maya; Rafael Andreu; Juan José Calvente; Agustín Galindo; Ernesto Carmona","Chemical Reactivity and Electrochemistry of Metal-Metal-Bonded Zincocenes","Inorganic Chemistry","2011","50","","6361","6371","10.1021/ic200816f","","","0.71073","MoKα","","0.0958","0.0514","","","0.1197","0.1395","","","","","","1.04","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325560","12.1601","0.0017","12.9369","0.0018","13.619","0.0019","103.123","0.005","109.06","0.005","110.926","0.005","1742.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H100 N4 O2 Zn4 -","- C72 H100 N4 O2 Zn4 -","- C72 H100 N4 O2 Zn4 -","1","0.5","","Mario Carrasco; Riccardo Peloso; Irene Resa; Amor Rodríguez; Luis Sánchez; Eleuterio Álvarez; Celia Maya; Rafael Andreu; Juan José Calvente; Agustín Galindo; Ernesto Carmona","Chemical Reactivity and Electrochemistry of Metal-Metal-Bonded Zincocenes","Inorganic Chemistry","2011","50","","6361","6371","10.1021/ic200816f","","","0.71073","MoKα","","0.0901","0.0599","","","0.1341","0.2182","","","","","","1.028","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325561","29.4692","0.0007","14.0062","0.0003","31.311","0.0007","90","","115.114","0.001","90","","11701.9","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H82 N4 O2 Zn2 -","- C63 H82 N4 O2 Zn2 -","- C504 H656 N32 O16 Zn16 -","8","1","","Mario Carrasco; Riccardo Peloso; Irene Resa; Amor Rodríguez; Luis Sánchez; Eleuterio Álvarez; Celia Maya; Rafael Andreu; Juan José Calvente; Agustín Galindo; Ernesto Carmona","Chemical Reactivity and Electrochemistry of Metal-Metal-Bonded Zincocenes","Inorganic Chemistry","2011","50","","6361","6371","10.1021/ic200816f","","","0.71073","MoKα","","0.086","0.0541","","","0.1249","0.1424","","","","","","1.06","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325562","9.1353","0.0008","22.0335","0.0014","14.2988","0.0012","90","","91.452","0.004","90","","2877.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H92 N4 O2 Zn4 -","- C58 H92 N4 O2 Zn4 -","- C116 H184 N8 O4 Zn8 -","2","0.5","","Mario Carrasco; Riccardo Peloso; Irene Resa; Amor Rodríguez; Luis Sánchez; Eleuterio Álvarez; Celia Maya; Rafael Andreu; Juan José Calvente; Agustín Galindo; Ernesto Carmona","Chemical Reactivity and Electrochemistry of Metal-Metal-Bonded Zincocenes","Inorganic Chemistry","2011","50","","6361","6371","10.1021/ic200816f","","","0.71073","MoKα","","0.0771","0.0522","","","0.1356","0.151","","","","","","1.027","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325563","18.7145","0.0004","14.7029","0.0003","21.688","0.0005","90","","113.987","0.001","90","","5452.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 Cl8 P3 Pd2 S2 -","- C54 H45 Cl8 P3 Pd2 S2 -","- C216 H180 Cl32 P12 Pd8 S8 -","4","1","","Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou","1,3-Bis(thiophosphinoyl)indene: A Unique and Versatile Scaffold for Original Polymetallic Complexes","Inorganic Chemistry","2011","50","","6378","6383","10.1021/ic200842z","","","0.71073","MoKα","","0.0494","0.0265","","","0.0547","0.0661","","","","","","1.101","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325564","11.788","0.0002","12.6618","0.0002","18.9211","0.0003","91.646","0.001","106.232","0.001","112.519","0.001","2475.26","0.07","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H50 Cl4 Ir P2 Pd S2 -","- C50.5 H50 Cl4 Ir P2 Pd S2 -","- C101 H100 Cl8 Ir2 P4 Pd2 S4 -","2","1","","Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou","1,3-Bis(thiophosphinoyl)indene: A Unique and Versatile Scaffold for Original Polymetallic Complexes","Inorganic Chemistry","2011","50","","6378","6383","10.1021/ic200842z","","","0.71073","MoKα","","0.0471","0.0342","","","0.0743","0.0803","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325565","34.423","0.007","14.298","0.003","22.074","0.004","90","","129.45","0.03","90","","8389","5","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl14 P4 Pd3 S4 -","- C72 H60 Cl14 P4 Pd3 S4 -","- C288 H240 Cl56 P16 Pd12 S16 -","4","0.5","","Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou","1,3-Bis(thiophosphinoyl)indene: A Unique and Versatile Scaffold for Original Polymetallic Complexes","Inorganic Chemistry","2011","50","","6378","6383","10.1021/ic200842z","","","0.71073","MoKα","","0.2415","0.069","","","0.1205","0.1733","","","","","","0.813","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325566","23.667","0.005","36.452","0.008","25.393","0.005","90","","90","","90","","21907","8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C77 H89 F21 Lu N21 O28 Pt2 S7 -","- C77 H83 F21 Lu N21 O28 Pt2 S7 -","- C616 H664 F168 Lu8 N168 O224 Pt16 S56 -","8","1","","Satoshi Shinoda; Akihiko Mizote; Miyuki Eiraku Masaki; Minoru Yoneda; Hiroyuki Miyake; Hiroshi Tsukube","Mixed-Metal Complexes Incorporating Platinum and Lanthanide Centers for Selective Binding and Chirality Sensing of Succinates","Inorganic Chemistry","2011","50","","5876","5878","10.1021/ic200853u","","","0.7107","MoKα","","0.0823","0.0735","","","0.1372","0.1407","","","","","","1.191","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325567","14.7846","0.0001","21.2709","0.0002","31.714","0.0003","90","","90","","90","","9973.47","0.15","100","2","100","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C27 H72 Ge2 N4 O3 Ru Si8 -","- C27 H72 Ge2 N4 O3 Ru Si8 -","- C216 H576 Ge16 N32 O24 Ru8 Si64 -","8","2","","Javier A. Cabeza; Pablo García-Álvarez; Diego Polo","Reactivity of Diaminogermylenes with Ruthenium Carbonyl: Ru3Ge3 and RuGe2 Derivatives","Inorganic Chemistry","2011","50","","6195","6199","10.1021/ic2009682","","","1.5418","CuKα","","0.062","0.0609","","","0.1524","0.1536","","","","","","1.067","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325568","13.7916","0.0003","13.8993","0.0005","21.8561","0.0005","74.702","0.002","83.32","0.002","76.698","0.002","3925.89","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H94 Ge3 N6 O9 Ru3 -","- C71 H94 Ge3 N6 O9 Ru3 -","- C142 H188 Ge6 N12 O18 Ru6 -","2","1","","Javier A. Cabeza; Pablo García-Álvarez; Diego Polo","Reactivity of Diaminogermylenes with Ruthenium Carbonyl: Ru3Ge3 and RuGe2 Derivatives","Inorganic Chemistry","2011","50","","6195","6199","10.1021/ic2009682","","","1.54184","CuKα","","0.0569","0.045","","","0.12","0.1291","","","","","","1.016","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325569","13.3731","0.0008","12.9829","0.0008","20.4445","0.0013","90","","95.908","0.003","90","","3530.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 Cl2 Co2 N6 O12 -","- C30 H39 Cl2 Co2 N6 O12 -","- C120 H156 Cl8 Co8 N24 O48 -","4","1","","Jia Luo; Nigam P. Rath; Liviu M. Mirica","Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O-Donor Ligands: Characterization and Water Oxidation Studies","Inorganic Chemistry","2011","50","","6152","6157","10.1021/ic201031s","","","0.71073","MoKα","","0.0441","0.0326","","","0.0822","0.0904","","","","","","1.052","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325570","13.6151","0.0008","13.1529","0.0007","20.5118","0.0013","90","","96.485","0.003","90","","3649.7","0.4","300","2","573","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 Cl2 Co2 N6 O12 -","- C30 H39 Cl2 Co2 N6 O12 -","- C120 H156 Cl8 Co8 N24 O48 -","4","1","","Jia Luo; Nigam P. Rath; Liviu M. Mirica","Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O-Donor Ligands: Characterization and Water Oxidation Studies","Inorganic Chemistry","2011","50","","6152","6157","10.1021/ic201031s","","","0.71073","MoKα","","0.0724","0.0486","","","0.1274","0.1487","","","","","","1.032","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325571","25.6695","0.0003","12.3859","0.0001","13.8812","0.0002","90","","102.619","0.001","90","","4306.78","0.09","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C66 H87 Cl6 Co4 N15 O32 -","- C66 H87 Cl6 Co4 N15 O32 -","- C132 H174 Cl12 Co8 N30 O64 -","2","0.5","","Jia Luo; Nigam P. Rath; Liviu M. Mirica","Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O-Donor Ligands: Characterization and Water Oxidation Studies","Inorganic Chemistry","2011","50","","6152","6157","10.1021/ic201031s","","","0.71073","MoKα","","0.0655","0.0606","","","0.1637","0.169","","","","","","1.051","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325572","13.9716","0.0011","9.8247","0.0008","24.678","0.0019","90","","93.212","0.002","90","","3382.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 Cl4 Co4 N12 O29 P2 -","- C52 H60 Cl4 Co4 N12 O29 P2 -","- C104 H120 Cl8 Co8 N24 O58 P4 -","2","0.5","","Jia Luo; Nigam P. Rath; Liviu M. Mirica","Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O-Donor Ligands: Characterization and Water Oxidation Studies","Inorganic Chemistry","2011","50","","6152","6157","10.1021/ic201031s","","","0.71073","MoKα","","0.1155","0.0697","","","0.163","0.2","","","","","","1.026","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325573","10.3815","0.0009","21.1122","0.0019","23.366","0.002","90","","90","","90","","5121.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H114 Cl8 Co6 N18 O49 -","- C78 H114 Cl8 Co6 N18 O49 -","- C156 H228 Cl16 Co12 N36 O98 -","2","0.5","","Jia Luo; Nigam P. Rath; Liviu M. Mirica","Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O-Donor Ligands: Characterization and Water Oxidation Studies","Inorganic Chemistry","2011","50","","6152","6157","10.1021/ic201031s","","","0.71073","MoKα","","0.0542","0.0395","","","0.0897","0.0976","","","","","","1.044","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325574","17.0151","0.0007","15.257","0.0007","31.912","0.0015","90","","91.294","0.003","90","","8282.2","0.6","276","2","276","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- As4 H104 Mn2 Na18 O164 W30 -","- As4 Mn2 Na14 O152 W30 -","- As8 Mn4 Na28 O304 W60 -","2","0.5","","Mounim Lebrini; Israël M. Mbomekallé; Anne Dolbecq; Jérôme Marrot; Patrick Berthet; Joseline Ntienoue; Francis Sécheresse; Jacky Vigneron; Arnaud Etcheberry","Manganese(III)-Containing Wells-Dawson Sandwich-Type Polyoxometalates: Comparison with their Manganese(II) Counterparts","Inorganic Chemistry","2011","50","","6437","6448","10.1021/ic102237x","","","0.71073","MoKα","","0.1393","0.0956","","","0.2487","0.2993","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325575","17.143","0.003","15.096","0.003","31.48","0.006","90","","90.413","0.01","90","","8147","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- As4 H114 Mn3 Na16 O169 W30 -","- As4 Mn3 Na16 O169 W30 -","- As8 Mn6 Na32 O338 W60 -","2","0.5","","Mounim Lebrini; Israël M. Mbomekallé; Anne Dolbecq; Jérôme Marrot; Patrick Berthet; Joseline Ntienoue; Francis Sécheresse; Jacky Vigneron; Arnaud Etcheberry","Manganese(III)-Containing Wells-Dawson Sandwich-Type Polyoxometalates: Comparison with their Manganese(II) Counterparts","Inorganic Chemistry","2011","50","","6437","6448","10.1021/ic102237x","","","0.71073","MoKα","","0.0843","0.0675","","","0.1868","0.2094","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325576","12.733","0.005","15.855","0.007","19.475","0.008","87.59","0.02","83.89","0.02","75.2","0.02","3779","3","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- As4 H112 Mn3 Na15 O168 W30 -","- As4 Mn3 Na13 O168 W30 -","- As4 Mn3 Na13 O168 W30 -","1","0.5","","Mounim Lebrini; Israël M. Mbomekallé; Anne Dolbecq; Jérôme Marrot; Patrick Berthet; Joseline Ntienoue; Francis Sécheresse; Jacky Vigneron; Arnaud Etcheberry","Manganese(III)-Containing Wells-Dawson Sandwich-Type Polyoxometalates: Comparison with their Manganese(II) Counterparts","Inorganic Chemistry","2011","50","","6437","6448","10.1021/ic102237x","","","0.71073","MoKα","","0.0911","0.0802","","","0.235","0.2533","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325577","9.6719","0.0012","11.4218","0.0014","11.9689","0.0015","109.261","0.002","106.116","0.002","94.474","0.002","1178","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bi-nuclear complex","","- C20 H21 Cl2 Cu N4 O10 -","- C20 H22 Cl2 Cu N4 O10 -","- C40 H44 Cl4 Cu2 N8 O20 -","2","1","","Sethu Ramakrishnan; Dhanasekaran Shakthipriya; Eringathodi Suresh; Vaiyapuri Subbarayan Periasamy; Mohammad Abdulkader Akbarsha; Mallayan Palaniandavar","Ternary Dinuclear Copper(II) Complexes of a Hydroxybenzamide Ligand with Diimine Coligands: the 5,6-dmp Ligand Enhances DNA Binding and Cleavage and Induces Apoptosis","Inorganic Chemistry","2011","50","","6458","6471","10.1021/ic1024185","","","0.71073","MoKα","","0.0873","0.0656","","","0.1173","0.1258","","","","","","1.084","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325578","10.263","0.002","11.75","0.003","17.92","0.004","74.871","0.003","76.889","0.003","76.48","0.003","1996.4","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H48 N2 P2 Si2 Th -","- C41 H48 N2 P2 Si2 Th -","- C82 H96 N4 P4 Si4 Th2 -","2","1","","Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell","Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes","Inorganic Chemistry","2011","50","","6500","6508","10.1021/ic102537q","","","0.71073","MoKα","","0.038","0.0299","","","0.0842","0.0879","","","","","","1.056","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325579","10.229","0.0006","11.7512","0.0007","17.8708","0.001","74.6909","0.0007","76.9568","0.0007","76.4559","0.0007","1983.3","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H48 N2 P2 Si2 U -","- C41 H48 N2 P2 Si2 U -","- C82 H96 N4 P4 Si4 U2 -","2","1","","Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell","Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes","Inorganic Chemistry","2011","50","","6500","6508","10.1021/ic102537q","","","0.71073","MoKα","","0.0223","0.02","","","0.0493","0.0503","","","","","","1.078","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325580","10.5465","0.0006","18.4379","0.0011","22.7463","0.0013","90","","90","","90","","4423.1","0.4","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 B Cl N8 P2 Si2 Th -","- C40 H48 B Cl N8 P2 Si2 Th -","- C160 H192 B4 Cl4 N32 P8 Si8 Th4 -","4","1","","Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell","Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes","Inorganic Chemistry","2011","50","","6500","6508","10.1021/ic102537q","","","0.71073","MoKα","","0.0251","0.0222","","","0.0518","0.0578","","","","","","1.09","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325581","10.5116","0.0009","18.3976","0.0015","22.7622","0.0019","90","","90","","90","","4401.9","0.6","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 B Cl N8 P2 Si2 U -","- C40 H48 B Cl N8 P2 Si2 U -","- C160 H192 B4 Cl4 N32 P8 Si8 U4 -","4","1","","Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell","Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes","Inorganic Chemistry","2011","50","","6500","6508","10.1021/ic102537q","","","0.71073","MoKα","","0.0216","0.0196","","","0.0433","0.0437","","","","","","1.02","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325582","8.3657","0.0009","13.3438","0.0014","15.4265","0.0016","90","","101.979","0.001","90","","1684.6","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl3 O2 U -","- C13 H21 Cl3 O2 U -","- C52 H84 Cl12 O8 U4 -","4","1","","Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell","Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes","Inorganic Chemistry","2011","50","","6500","6508","10.1021/ic102537q","","","0.71073","MoKα","","0.0228","0.0212","","","0.0532","0.0538","","","","","","1.154","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325583","45.586","0.004","45.586","0.004","21.7302","0.0017","90","","90","","120","","39107","6","173","2","173","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C76 H107 Cl4 N5 P4 Si4 U2 -","- C64 H79 Cl4 N5 P4 Si4 U2 -","- C1152 H1422 Cl72 N90 P72 Si72 U36 -","18","1","","Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell","Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes","Inorganic Chemistry","2011","50","","6500","6508","10.1021/ic102537q","","","0.71073","MoKα","","0.0634","0.0444","","","0.0988","0.106","","","","","","0.959","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325584","7.1206","0.0014","12.751","0.003","14.523","0.003","107.73","0.03","99.35","0.03","99.8","0.03","1205","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 N4 O4 S3 -","- C19 H30 N4 O4 S3 -","- C38 H60 N8 O8 S6 -","2","1","","Jiasheng Wu; Ruilong Sheng; Weimin Liu; Pengfei Wang; Jingjin Ma; Hongyan Zhang; Xiaoqing Zhuang","Reversible Fluorescent Probe for Highly Selective and Sensitive Detection of Mercapto Biomolecules","Inorganic Chemistry","2011","50","","6543","6551","10.1021/ic200181p","","","0.71069","MoKα","","0.0912","0.0614","","","0.1238","0.1338","","","","","","1.108","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325585","8.2194","0.0016","9.3156","0.0019","13.358","0.003","97.93","0.03","105.24","0.03","94.29","0.03","970.8","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H36 Cl4 Hg2 N8 O4 S2 -","- C30 H36 Cl4 Hg2 N8 O4 S2 -","- C30 H36 Cl4 Hg2 N8 O4 S2 -","1","0.5","","Jiasheng Wu; Ruilong Sheng; Weimin Liu; Pengfei Wang; Jingjin Ma; Hongyan Zhang; Xiaoqing Zhuang","Reversible Fluorescent Probe for Highly Selective and Sensitive Detection of Mercapto Biomolecules","Inorganic Chemistry","2011","50","","6543","6551","10.1021/ic200181p","","","0.71073","MoKα","","0.0905","0.0624","","","0.1529","0.1656","","","","","","0.989","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325586","7.299","0.002","12.154","0.004","14.759","0.004","90","","90.353","0.004","90","","1309.3","0.7","210","2","210","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 Na Ni O2 S4 -","- C8 H4 N4 Na Ni O2 S4 -","- C32 H16 N16 Na4 Ni4 O8 S16 -","4","1","","Shinya Takaishi; Nozomi Ishihara; Kazuya Kubo; Keiichi Katoh; Brian K. Breedlove; Hitoshi Miyasaka; Masahiro Yamashita","Paramagnetic-Diamagnetic Phase Transition Accompanied by Coordination Bond Formation-Dissociation in the Dithiolate Complex Na[Ni(pdt)2].2H2O","Inorganic Chemistry","2011","50","","6405","6407","10.1021/ic2003172","","","0.71075","MoKα","","0.0523","0.045","","","0.1075","0.1104","","","","","","1.226","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325587","3.6988","0.0005","15.271","0.0018","12.0272","0.0015","90","","97.003","0.007","90","","674.28","0.15","230","2","230","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 Na Ni O2 S4 -","- C8 H4 N4 Na Ni O2 S4 -","- C16 H8 N8 Na2 Ni2 O4 S8 -","2","0.5","","Shinya Takaishi; Nozomi Ishihara; Kazuya Kubo; Keiichi Katoh; Brian K. Breedlove; Hitoshi Miyasaka; Masahiro Yamashita","Paramagnetic-Diamagnetic Phase Transition Accompanied by Coordination Bond Formation-Dissociation in the Dithiolate Complex Na[Ni(pdt)2].2H2O","Inorganic Chemistry","2011","50","","6405","6407","10.1021/ic2003172","","","0.71075","MoKα","","0.0555","0.0444","","","0.1188","0.1246","","","","","","1.104","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325588","24.906","0.007","38.261","0.011","38.991","0.011","79.228","0.005","88.604","0.005","87.418","0.005","36459","18","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- H292 N28 Na8 O332 P8 Ti12 W60 -","- N28 Na3.5 O296.5 P8 Ti12 W60 -","- N112 Na14 O1186 P32 Ti48 W240 -","4","2","","Yoshitaka Sakai; Shuji Ohta; Yukihiro Shintoyo; Shoko Yoshida; Yuhki Taguchi; Yusuke Matsuki; Satoshi Matsunaga; Kenji Nomiya","Encapsulation of Anion/Cation in the Central Cavity of Tetrameric Polyoxometalate, Composed of Four Trititanium(IV)-Substituted α-Dawson Subunits, Initiated by Protonation/Deprotonation of the Bridging Oxygen Atoms on the Intramolecular Surface","Inorganic Chemistry","2011","50","","6575","6583","10.1021/ic200355e","","","0.71073","MoKα","","0.1564","0.0805","","","0.1846","0.224","","","","","","1.023","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325589","15.2752","0.0008","15.882","0.0009","16.8909","0.0009","73.587","0.001","68.823","0.001","88.268","0.001","3653.5","0.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H48 F25 Fe O5 P2 -","- C85 H48 F25 Fe O5 P2 -","- C170 H96 F50 Fe2 O10 P4 -","2","1","","Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer","Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes","Inorganic Chemistry","2011","50","","6584","6596","10.1021/ic2003782","","","0.71073","MoKα","","0.0603","0.0512","","","0.1314","0.1388","","","","","","1.015","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325590","22.466","0.003","11.1062","0.0015","33.506","0.005","90","","98.504","0.002","90","","8268","2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H24 F25 Fe N2 O5 -","- C38 H24 F25 Fe N2 O5 -","- C304 H192 F200 Fe8 N16 O40 -","8","1","","Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer","Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes","Inorganic Chemistry","2011","50","","6584","6596","10.1021/ic2003782","","","0.71073","MoKα","","0.0922","0.0749","","","0.1551","0.1623","","","","","","1.253","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325591","12.679","0.008","13.338","0.008","20.973","0.013","91.59","0.01","97.149","0.011","114.934","0.009","3179","3","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H48 F25 Fe K2 O17 -","- C54 H48 F25 Fe K2 O17 -","- C108 H96 F50 Fe2 K4 O34 -","2","1","","Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer","Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes","Inorganic Chemistry","2011","50","","6584","6596","10.1021/ic2003782","","","0.71073","MoKα","","0.0733","0.0547","","","0.1456","0.1587","","","","","","1.048","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325592","14.0618","0.0015","14.3821","0.0015","21.326","0.002","88.796","0.002","74.063","0.002","89.938","0.002","4146.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H77 F30 Fe K2 O17 -","- C64 H63 F30 Fe K2 O17 -","- C128 H126 F60 Fe2 K4 O34 -","2","1","","Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer","Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes","Inorganic Chemistry","2011","50","","6584","6596","10.1021/ic2003782","","","0.71073","MoKα","","0.102","0.0801","","","0.234","0.2561","","","","","","1.144","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325593","13.299","0.0014","13.371","0.0014","14.0097","0.0014","113.923","0.001","103.604","0.001","103.918","0.001","2049","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H56 F30 Fe2 K2 O19 -","- C60 H48 F30 Fe2 K2 O19 -","- C60 H48 F30 Fe2 K2 O19 -","1","0.5","","Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer","Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes","Inorganic Chemistry","2011","50","","6584","6596","10.1021/ic2003782","","","0.71073","MoKα","","0.0406","0.0349","","","0.0897","0.093","","","","","","1.047","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325594","11.4435","0.0008","14.0079","0.001","14.5871","0.001","97.707","0.001","110.9","0.001","106.82","0.001","2016","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 F20 Fe K O10 -","- C36 F20 Fe K O10 -","- C72 F40 Fe2 K2 O20 -","2","1","","Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer","Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes","Inorganic Chemistry","2011","50","","6584","6596","10.1021/ic2003782","","","0.71073","MoKα","","0.0789","0.0659","","","0.1913","0.2067","","","","","","1.019","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325595","14.792","0.002","25.567","0.004","16.529","0.002","90","","97.334","0.002","90","","6199.9","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SAC-I-95 (yellow)","","","- C52 H58 F20 Fe K2 O17 -","- C52 H58 F20 Fe K2 O17 -","- C208 H232 F80 Fe4 K8 O68 -","4","1","","Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer","Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes","Inorganic Chemistry","2011","50","","6584","6596","10.1021/ic2003782","","","0.71073","MoKα","","0.11","0.0891","","","0.2361","0.2595","","","","","","1.059","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325596","9.6163","0.0004","12.9234","0.0005","14.1191","0.0006","100.304","0.002","102.48","0.002","102.098","0.002","1628.31","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cu F12 N4 O6 -","- C27 H28 Cu F12 N4 O6 -","- C54 H56 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0704","0.0427","","","0.0944","0.1018","","","","","","0.954","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325597","9.659","0.0005","12.957","0.0006","14.2137","0.0007","100.598","0.003","102.361","0.003","101.915","0.003","1651.06","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cu F12 N4 O6 -","- C27 H28 Cu F12 N4 O6 -","- C54 H56 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.079","0.0443","","","0.09","0.0984","","","","","","0.908","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325598","9.8525","0.0014","13.0977","0.0018","14.578","0.002","101.557","0.002","102.287","0.002","101.833","0.003","1739.5","0.4","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cu F12 N4 O6 -","- C27 H28 Cu F12 N4 O6 -","- C54 H56 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1909","0.0539","","","0.0846","0.1115","","","","","","0.751","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325599","9.87","0.002","13.083","0.003","14.514","0.003","101.278","0.004","102.63","0.004","101.867","0.003","1732","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cu F12 N4 O6 -","- C27 H28 Cu F12 N4 O6 -","- C54 H56 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0622","0.0471","","","0.1272","0.1371","","","","","","1.007","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325600","9.9068","0.0018","12.971","0.002","13.694","0.003","99.944","0.002","102.506","0.002","103.967","0.002","1619.5","0.5","30","2","30","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H29 Cu F12 N4 O6 -","- C27.5 H29 Cu F12 N4 O6 -","- C55 H58 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0484","0.0387","","","0.095","0.1031","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325601","9.9513","0.0015","13.03","0.002","13.74","0.002","99.933","0.002","102.501","0.002","103.927","0.002","1640.1","0.4","60","2","60","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H29 Cu F12 N4 O6 -","- C27.5 H29 Cu F12 N4 O6 -","- C55 H58 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0469","0.0395","","","0.1043","0.1081","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325602","9.976","0.002","12.951","0.003","13.822","0.003","99.964","0.004","101.876","0.003","103.741","0.004","1650.6","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H29 Cu F12 N4 O6 -","- C27.5 H29 Cu F12 N4 O6 -","- C55 H58 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0366","0.0338","","","0.0873","0.0954","","","","","","0.698","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325603","10.105","0.003","12.996","0.003","14.018","0.004","100.365","0.005","102.594","0.004","103.263","0.005","1696.7","0.8","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H29 Cu F12 N4 O6 -","- C27.5 H29 Cu F12 N4 O6 -","- C55 H58 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0487","0.043","","","0.1167","0.1235","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325604","10.3501","0.0019","13.006","0.002","13.572","0.003","98.235","0.003","107.71","0.002","100.904","0.003","1669.1","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0564","0.0436","","","0.1187","0.127","","","","","","1.061","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325605","10.4039","0.0016","12.996","0.002","13.595","0.002","98.478","0.002","107.67","0.002","100.577","0.002","1680.7","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0619","0.0461","","","0.1254","0.1353","","","","","","1.094","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325606","10.355","0.002","13.124","0.003","14.259","0.003","100.45","0.003","102.884","0.004","104.729","0.003","1767.7","0.6","215","2","215","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0655","0.0484","","","0.1367","0.1502","","","","","","1.032","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325607","10.453","0.004","13.234","0.005","14.385","0.005","100.422","0.006","103.107","0.006","104.624","0.006","1814.5","1.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0921","0.0549","","","0.1465","0.1687","","","","","","1.022","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325608","10.7478","0.0013","13.3811","0.0016","13.8629","0.0016","99.4","0.002","112.2","0.002","95.755","0.002","1792.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0705","0.0476","","","0.1119","0.1209","","","","","","0.935","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325609","10.513","0.002","12.896","0.003","13.054","0.003","76.988","0.003","68.489","0.003","84.594","0.003","1604.1","0.6","70","2","70","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0497","0.0421","","","0.1109","0.1155","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325610","10.609","0.002","13.056","0.003","13.217","0.003","76.882","0.003","68.312","0.003","84.538","0.003","1656.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0533","0.0439","","","0.1094","0.1145","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325611","10.687","0.003","13.381","0.003","13.596","0.003","76.184","0.004","67.332","0.003","84.276","0.004","1742.1","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0667","0.0533","","","0.1356","0.1441","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325612","10.846","0.004","13.427","0.005","13.77","0.005","99.156","0.005","112.448","0.005","95.759","0.005","1801","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0527","0.0452","","","0.1266","0.1331","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325613","10.7045","0.0006","13.1585","0.0008","13.206","0.0007","77.44","0.003","68.295","0.003","85.29","0.004","1686.89","0.17","53","2","53","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cu F12 N4 O6 -","- C29 H32 Cu F12 N4 O6 -","- C58 H64 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.065","0.0392","","","0.0884","0.0953","","","","","","0.955","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325614","10.7336","0.0005","13.2076","0.0006","13.2548","0.0006","77.237","0.003","68.078","0.003","85.21","0.003","1700.13","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cu F12 N4 O6 -","- C29 H32 Cu F12 N4 O6 -","- C58 H64 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0769","0.0427","","","0.0978","0.1068","","","","","","0.997","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325615","10.7038","0.0005","13.3409","0.0007","13.4069","0.0007","76.562","0.003","67.355","0.003","84.937","0.003","1718.52","0.16","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cu F12 N4 O6 -","- C29 H32 Cu F12 N4 O6 -","- C58 H64 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0799","0.0434","","","0.1206","0.1421","","","","","","0.706","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325616","10.7506","0.0005","13.389","0.0007","13.5765","0.0007","99.355","0.003","113.206","0.003","95.233","0.003","1746.04","0.16","175","2","175","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cu F12 N4 O6 -","- C29 H32 Cu F12 N4 O6 -","- C58 H64 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.085","0.0443","","","0.1072","0.1216","","","","","","0.854","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325617","10.8546","0.0008","13.4248","0.001","13.6547","0.001","99.193","0.004","112.688","0.004","95.412","0.004","1785.5","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cu F12 N4 O6 -","- C29 H32 Cu F12 N4 O6 -","- C58 H64 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0602","0.0393","","","0.1089","0.1167","","","","","","0.97","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325618","10.0757","0.0018","13.044","0.002","13.736","0.003","99.469","0.003","103.364","0.002","105.094","0.002","1646.6","0.5","60","2","60","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0508","0.0422","","","0.102","0.1061","","","","","","1.057","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325619","10.086","0.003","12.989","0.004","13.689","0.005","99.323","0.006","103.599","0.006","104.982","0.005","1635.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0332","0.031","","","0.0872","0.0884","","","","","","1.057","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325620","10.141","0.002","12.98","0.003","13.738","0.003","99.39","0.003","103.585","0.003","104.953","0.003","1649.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0625","0.0496","","","0.1181","0.1245","","","","","","1.048","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325621","10.2433","0.0018","13.051","0.002","13.874","0.003","99.494","0.003","103.534","0.003","104.78","0.003","1693.1","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0631","0.0495","","","0.1174","0.124","","","","","","1.084","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325622","10.276","0.002","12.984","0.003","13.88","0.003","99.1","0.03","104.02","0.03","104.2","0.03","1694.6","0.8","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0699","0.0618","","","0.1772","0.1867","","","","","","1.033","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325623","10.387","0.006","13.198","0.007","14.134","0.008","100.262","0.008","103.434","0.009","103.705","0.008","1774.3","1.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0736","0.0504","","","0.1337","0.1532","","","","","","1.046","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325624","10.206","0.002","12.974","0.003","13.473","0.003","98.938","0.003","105.919","0.003","101.882","0.003","1635.7","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0667","0.0516","","","0.1253","0.1332","","","","","","1.015","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325625","10.476","0.003","13.25","0.004","13.789","0.004","98.898","0.004","106.051","0.004","101.884","0.004","1753.8","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.056","0.0452","","","0.1138","0.1203","","","","","","1.042","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325626","10.2641","0.0018","13.099","0.002","13.959","0.002","100.267","0.002","101.958","0.003","103.382","0.003","1735","0.5","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0707","0.0552","","","0.1455","0.155","","","","","","1.04","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325627","10.334","0.002","13.136","0.003","14.061","0.003","100.57","0.004","102.18","0.004","103.72","0.003","1756.9","0.6","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0644","0.0469","","","0.1298","0.138","","","","","","0.929","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325628","10.4488","0.0014","13.2464","0.0017","14.2035","0.0019","100.687","0.002","102.549","0.002","104.125","0.002","1800.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0852","0.0598","","","0.1605","0.1758","","","","","","0.967","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325629","10.365","0.003","13.086","0.004","13.584","0.004","100.557","0.005","102.014","0.005","104.744","0.005","1687.6","0.9","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0498","0.0404","","","0.1019","0.112","","","","","","1.078","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325630","10.397","0.003","13.051","0.004","13.592","0.004","100.557","0.004","102.376","0.004","104.552","0.004","1688","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0482","0.0395","","","0.0957","0.1","","","","","","1.079","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325631","10.479","0.003","13.082","0.004","13.754","0.004","100.494","0.004","102.617","0.004","104.481","0.004","1724.7","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0693","0.049","","","0.1114","0.1193","","","","","","1.016","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325632","10.527","0.003","13.119","0.004","13.907","0.004","100.497","0.005","102.83","0.005","104.479","0.005","1754.8","0.9","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0986","0.0632","","","0.1571","0.1765","","","","","","1.004","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325633","10.634","0.002","13.344","0.003","13.744","0.003","99.257","0.003","111.469","0.003","96.457","0.004","1759.9","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0872","0.0554","","","0.1266","0.1391","","","","","","0.95","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325634","10.334","0.009","12.978","0.011","13.539","0.011","97.995","0.012","107.28","0.012","101.479","0.012","1661","2","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Cu F12 N4 O6 -","- C28 H29 Cu F12 N4 O6 -","- C56 H58 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1486","0.1008","","","0.2343","0.2566","","","","","","1.112","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325635","10.419","0.004","13.175","0.006","14.122","0.006","99.786","0.007","102.676","0.007","105.022","0.007","1772.9","1.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Cu F12 N4 O6 -","- C28 H29 Cu F12 N4 O6 -","- C56 H58 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1091","0.0675","","","0.1639","0.1803","","","","","","0.983","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325636","10.49","0.004","13.148","0.005","14.091","0.006","99.462","0.006","103.441","0.006","105.565","0.007","1766.8","1.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.67 H19.33 Cu0.67 F8 N2.67 O4 -","- C18.6667 H19.3333 Cu0.666667 F8 N2.66667 O4 -","- C56 H58 Cu2 F24 N8 O12 -","3","1.5","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1185","0.0697","","","0.1673","0.1867","","","","","","0.968","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325637","10.82","0.002","13.513","0.003","14.073","0.003","76.63","0.03","67.51","0.03","85.26","0.03","1849.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Cu F12 N4 O6 -","- C28 H29 Cu F12 N4 O6 -","- C56 H58 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1127","0.0686","","","0.1642","0.1864","","","","","","0.961","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325638","10.3435","0.0012","13.1149","0.0014","13.4227","0.0014","98.558","0.008","107.312","0.008","100.499","0.008","1668.8","0.3","50","2","50","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H30 Cu F12 N4 O6 -","- C28.5 H30 Cu F12 N4 O6 -","- C57 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1457","0.0908","","","0.2516","0.2784","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325639","10.3652","0.0011","13.1372","0.0012","13.44","0.0013","98.819","0.007","107.258","0.007","99.278","0.008","1685.1","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H30 Cu F12 N4 O6 -","- C28.5 H30 Cu F12 N4 O6 -","- C57 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1585","0.0958","","","0.2691","0.2975","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325640","10.5838","0.0004","13.2821","0.0006","13.5988","0.0007","76.707","0.005","67.24","0.003","84.933","0.003","1715.57","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H30.5 Cu F12 N4 O6 -","- C28.5 H30.5 Cu F12 N4 O6 -","- C57 H61 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0963","0.0453","","","0.0903","0.103","","","","","","0.854","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325641","10.7377","0.0009","13.436","0.0011","13.8076","0.0012","99.344","0.006","112.339","0.006","95.328","0.006","1791.8","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H30 Cu F12 N4 O6 -","- C28.5 H30 Cu F12 N4 O6 -","- C57 H60 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1233","0.0526","","","0.1278","0.1513","","","","","","0.827","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325642","10.668","0.0003","13.3413","0.0004","13.6446","0.0004","74.719","0.002","83.783","0.002","66.73","0.002","1720.9","0.09","50","2","50","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cu F12 N4 O6 -","- C29 H32 Cu F12 N4 O6 -","- C58 H64 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0744","0.041","","","0.0861","0.0946","","","","","","0.951","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325643","10.7206","0.0004","13.3783","0.0005","13.6296","0.0006","74.864","0.002","83.842","0.002","66.662","0.002","1732.59","0.12","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cu F12 N4 O6 -","- C29 H32 Cu F12 N4 O6 -","- C58 H64 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0861","0.0459","","","0.1043","0.1167","","","","","","0.95","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325644","10.8439","0.0008","13.5168","0.0011","13.554","0.0011","99.498","0.005","112.087","0.005","96.549","0.005","1781.6","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cu F12 N4 O6 -","- C29 H32 Cu F12 N4 O6 -","- C58 H64 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0984","0.0482","","","0.1106","0.1251","","","","","","0.87","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325645","10.92","0.004","13.535","0.005","13.573","0.005","99.352","0.006","111.855","0.006","96.908","0.006","1801","1.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.33 H21.33 Cu0.67 F8 N2.67 O4 -","- C19.3333 H21.3333 Cu0.666667 F8 N2.66667 O4 -","- C58 H64 Cu2 F24 N8 O12 -","3","1.5","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1008","0.0618","","","0.1033","0.1101","","","","","","1.298","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325646","11.0429","0.0012","13.5696","0.0014","13.6384","0.0014","99.227","0.002","111.801","0.002","97.023","0.002","1835.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14.5 H16 Cu0.5 F6 N2 O3 -","- C14.5 H16 Cu0.5 F6 N2 O3 -","- C58 H64 Cu2 F24 N8 O12 -","4","2","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0926","0.0516","","","0.1207","0.1352","","","","","","0.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325647","10.606","0.011","13.298","0.014","13.487","0.015","98.535","0.014","107.394","0.014","99.654","0.014","1749","3","75","2","75","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.2515","0.0713","","","0.1318","0.1963","","","","","","0.762","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325648","10.575","0.01","13.238","0.013","13.458","0.017","76.07","0.02","66.969","0.013","83.891","0.014","1683","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0988","0.0641","","","0.1751","0.2","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325649","10.615","0.011","13.375","0.014","13.581","0.014","99.061","0.018","112.535","0.018","96.09","0.018","1729","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1265","0.0732","","","0.1707","0.1905","","","","","","0.884","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325650","10.738","0.005","13.381","0.006","13.6","0.006","99.132","0.008","111.527","0.007","96.69","0.008","1762","1.4","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0923","0.0574","","","0.149","0.1622","","","","","","0.944","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325651","10.5673","0.001","13.1006","0.0013","13.4701","0.0013","98.726","0.008","108.913","0.007","99.893","0.008","1694.3","0.3","40","2","40","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1844","0.0626","","","0.1214","0.1503","","","","","","0.802","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325652","10.5903","0.0016","13.106","0.002","13.493","0.002","98.591","0.012","109.128","0.012","99.938","0.013","1699.6","0.5","65","2","65","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1823","0.0565","","","0.1112","0.1427","","","","","","0.754","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325653","10.6489","0.0007","13.1068","0.0008","13.4746","0.0008","98.614","0.004","109.029","0.004","99.544","0.005","1710.9","0.2","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1206","0.0471","","","0.0846","0.1001","","","","","","0.772","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325654","10.8445","0.001","13.3049","0.0011","13.3647","0.0011","98.9","0.005","96.585","0.005","112.372","0.005","1729.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0676","0.0397","","","0.0849","0.0931","","","","","","0.909","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325655","11.0848","0.0011","13.4222","0.0013","13.422","0.0013","98.223","0.006","97.348","0.006","111.84","0.006","1798.6","0.3","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cu F15 N4 O6 -","- C28 H27 Cu F15 N4 O6 -","- C56 H54 Cu2 F30 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0873","0.0432","","","0.0982","0.1114","","","","","","0.863","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325656","10.3066","0.0006","13.097","0.0007","13.5407","0.0008","99.057","0.004","104.945","0.004","103.359","0.004","1671.78","0.18","60","2","60","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0711","0.0397","","","0.0917","0.1012","","","","","","0.842","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325657","10.3612","0.0004","13.0926","0.0005","13.62","0.0005","98.996","0.002","104.929","0.002","103.443","0.002","1689.75","0.12","126","2","126","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0668","0.0402","","","0.1038","0.1125","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325658","10.3823","0.0004","13.0953","0.0004","13.6544","0.0005","99.023","0.002","104.885","0.002","103.411","0.002","1698.35","0.11","142","2","142","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0518","0.0354","","","0.0993","0.1062","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325659","10.5061","0.0006","13.1523","0.0008","13.9207","0.0009","99.488","0.004","104.245","0.004","103.517","0.004","1761.6","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0744","0.0403","","","0.1058","0.1199","","","","","","0.802","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325660","10.61","0.002","13.202","0.003","14.083","0.003","100.35","0.03","103.84","0.03","103.09","0.03","1807.7","0.8","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H62 Cu2 F24 N8 O12 -","- C57 H62 Cu2 F24 N8 O12 -","- C57 H62 Cu2 F24 N8 O12 -","1","0.5","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1582","0.0588","","","0.1456","0.189","","","","","","0.907","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325661","10.4354","0.001","13.0352","0.0012","13.4418","0.0013","98.783","0.006","105.985","0.006","101.687","0.006","1678.6","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0592","0.0379","","","0.0883","0.0954","","","","","","0.926","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325662","10.4659","0.0009","13.0407","0.0011","13.4625","0.0011","98.788","0.006","106.123","0.006","101.592","0.006","1686.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0606","0.039","","","0.0903","0.0974","","","","","","0.93","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325663","10.662","0.0012","13.1113","0.0014","13.6593","0.0015","98.893","0.008","106.584","0.008","100.975","0.008","1751.7","0.4","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.0876","0.0418","","","0.0874","0.0989","","","","","","0.834","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325664","10.7592","0.0009","13.2163","0.001","13.8207","0.0012","99.285","0.006","106.566","0.006","100.756","0.006","1801.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H31 Cu F12 N4 O6 -","- C28.5 H31 Cu F12 N4 O6 -","- C57 H62 Cu2 F24 N8 O12 -","2","1","","Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko","Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly","Inorganic Chemistry","2011","50","","6597","6609","10.1021/ic200444e","","","0.71073","MoKα","","0.1279","0.0412","","","0.0875","0.1061","","","","","","0.726","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325665","14.962","0.003","11.4","0.002","7.6228","0.0015","90","","94.32","0.03","90","","1296.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cu4 Se6 Tl3 U -","- Cu4 Se6 Tl3 U -","- Cu16 Se24 Tl12 U4 -","4","1","","Daniel E. Bugaris; Eun Sang Choi; Roy Copping; Per-Anders Glans; Stefan G. Minasian; Tolek Tyliszczak; Stosh A. Kozimor; David K. Shuh; James A. Ibers","Pentavalent and Tetravalent Uranium Selenides, Tl3Cu4USe6 and Tl2Ag2USe4: Syntheses, Characterization, and Structural Comparison to Other Layered Actinide Chalcogenide Compounds","Inorganic Chemistry","2011","50","","6656","6666","10.1021/ic200565n","","","0.71073","MoKα","","0.0496","0.0449","","","0.0988","0.0996","","","","","","1.856","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325666","14.4919","0.0005","4.2301","0.0002","9.4745","0.0004","90","","127.3","0.001","90","","462.02","0.03","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag2 Se4 Tl2 U -","- Ag2 Se4 Tl2 U -","- Ag4 Se8 Tl4 U2 -","2","0.25","","Daniel E. Bugaris; Eun Sang Choi; Roy Copping; Per-Anders Glans; Stefan G. Minasian; Tolek Tyliszczak; Stosh A. Kozimor; David K. Shuh; James A. Ibers","Pentavalent and Tetravalent Uranium Selenides, Tl3Cu4USe6 and Tl2Ag2USe4: Syntheses, Characterization, and Structural Comparison to Other Layered Actinide Chalcogenide Compounds","Inorganic Chemistry","2011","50","","6656","6666","10.1021/ic200565n","","","0.71073","MoKα","","0.0383","0.0371","","","0.1191","0.1196","","","","","","2.006","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325667","8.7916","0.0002","9.8806","0.0002","10.766","0.0003","72.875","0.002","89.817","0.001","64.172","0.001","795.91","0.04","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H6 Cu N8 -","- C16 H6 Cu N8 -","- C32 H12 Cu2 N16 -","2","1","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.0626","0.0405","","","0.0773","0.0834","","","","","","1.045","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325668","10.9169","0.0001","19.1132","0.0002","14.0349","0.0002","90","","93.681","0.001","90","","2922.44","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 Cd N14 O2 -","- C56 H76 Cd N14 O2 -","- C112 H152 Cd2 N28 O4 -","2","0.5","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.062","0.0335","","","0.063","0.07","","","","","","1.021","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325669","10.9634","0.0002","18.7609","0.0005","13.8621","0.0003","90","","93.516","0.001","90","","2845.84","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 Co N14 O2 -","- C56 H76 Co N14 O2 -","- C112 H152 Co2 N28 O4 -","2","0.5","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.196","0.0674","","","0.0967","0.1298","","","","","","0.99","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325670","10.9598","0.0001","18.8191","0.0002","13.9049","0.0002","90","","93.516","0.001","90","","2862.54","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 Fe N14 O2 -","- C56 H76 Fe N14 O2 -","- C112 H152 Fe2 N28 O4 -","2","0.5","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.0854","0.0408","","","0.0819","0.0968","","","","","","1.056","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325671","10.9297","0.0003","18.972","0.0011","13.9619","0.0008","90","","93.571","0.003","90","","2889.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 Mn N14 O2 -","- C56 H76 Mn N14 O2 -","- C112 H152 Mn2 N28 O4 -","2","0.5","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.1142","0.0497","","","0.0811","0.1014","","","","","","1.048","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325672","8.6159","0.0003","9.5297","0.0003","12.67","0.0006","84.027","0.001","81.526","0.001","77.577","0.002","1002.02","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Fe2 N12 O6 -","- C36 H36 Fe2 N12 O6 -","- C36 H36 Fe2 N12 O6 -","1","0.5","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.1125","0.0573","","","0.1154","0.1334","","","","","","1.014","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325673","7.8287","0.0007","8.8368","0.0007","12.4402","0.0011","88.074","0.003","81.756","0.003","85.783","0.006","849.19","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co2 N12 O6 -","- C30 H24 Co2 N12 O6 -","- C30 H24 Co2 N12 O6 -","1","0.5","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.1813","0.1219","","","0.2836","0.3069","","","","","","1.167","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325674","7.7992","0.0004","8.8762","0.0005","12.4565","0.0006","87.501","0.002","81.428","0.002","85.617","0.002","849.75","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N12 O6 Zn2 -","- C30 H24 N12 O6 Zn2 -","- C30 H24 N12 O6 Zn2 -","1","0.5","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.0383","0.034","","","0.0703","0.0729","","","","","","1.118","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325675","21.3693","0.0009","21.3693","0.0009","69.219","0.002","90","","90","","120","","27373.9","1.8","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H84 Mn7 N42 O42 -","- C84 Mn7 N42 O42 -","- C756 Mn63 N378 O378 -","9","0.5","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.2758","0.0981","","","0.1868","0.247","","","","","","0.989","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325676","28.649","0.003","28.649","0.003","20.48","0.003","90","","90","","120","","14557","3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C72 H120 Mo12 N18 O40 Si -","- C72 H126 Mo12 N18 O40 Si -","- C432 H756 Mo72 N108 O240 Si6 -","6","0.333333","","Tomoyuki Akutagawa; Fumito Kudo; Ryo Tsunashima; Shin-ichiro Noro; Leroy Cronin; Takayoshi Nakamura","Hydrogen-Bonded Assemblies of Two-Electron Reduced Mixed-Valence [XMo12O40] (X = P and Si) withp-Phenylenediamines","Inorganic Chemistry","2011","50","","6711","6718","10.1021/ic200683e","","","0.71075","MoKα","","","0.0271","","","","0.0755","","","","","","1.11","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325677","23.214","0.004","23.214","0.004","10.184","0.003","90","","90","","120","","4752.8","1.8","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H47 Mo12 N12 O40 P -","- C30 H30 Mo12 N12 O40 P -","- C90 H90 Mo36 N36 O120 P3 -","3","0.166667","","Tomoyuki Akutagawa; Fumito Kudo; Ryo Tsunashima; Shin-ichiro Noro; Leroy Cronin; Takayoshi Nakamura","Hydrogen-Bonded Assemblies of Two-Electron Reduced Mixed-Valence [XMo12O40] (X = P and Si) withp-Phenylenediamines","Inorganic Chemistry","2011","50","","6711","6718","10.1021/ic200683e","","","0.71075","MoKα","","","0.0524","","","","0.0816","","","","","","1.173","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325678","24.3796","0.0005","13.1251","0.0002","35.6256","0.0008","90","","94.694","0.001","90","","11361.4","0.4","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(PPh4)[Fe(L-O)]","","","- C54 H52 Fe N4 O4 P -","- C54 H52 Fe N4 O4 P -","- C432 H416 Fe8 N32 O32 P8 -","8","1","","Matthew B. Jones; Kenneth I. Hardcastle; Karl S. Hagen; Cora E. MacBeth","Oxygen Activation and Intramolecular C-H Bond Activation by an Amidate-Bridged Diiron(II) Complex","Inorganic Chemistry","2011","50","","6402","6404","10.1021/ic2007183","","","1.54184","CuKα","","0.0745","0.0563","","","0.1704","0.1802","","","","","","1.121","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325679","13.7113","0.0003","21.1287","0.0004","28.9991","0.0007","90","","93.536","0.001","90","","8385.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H94.5 Fe2 K N9.5 O7 P -","- C88 H94.5 Fe2 K N9.5 O7 P -","- C352 H378 Fe8 K4 N38 O28 P4 -","4","1","","Matthew B. Jones; Kenneth I. Hardcastle; Karl S. Hagen; Cora E. MacBeth","Oxygen Activation and Intramolecular C-H Bond Activation by an Amidate-Bridged Diiron(II) Complex","Inorganic Chemistry","2011","50","","6402","6404","10.1021/ic2007183","","","1.54178","CuKα","","0.0853","0.0659","","","0.2006","0.2189","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325680","10.17","0.002","20.44","0.004","22.5","0.005","90","","90","","90","","4677.2","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C184 H196 Cl8 Fe8 N24 O56 -","- C184 H188 Cl8 Fe8 N24 O56 -","- C184 H188 Cl8 Fe8 N24 O56 -","1","0.25","","Eric Gouré; Grégory Thiabaud; Michaël Carboni; Nathalie Gon; Patrick Dubourdeaux; Ricardo Garcia-Serres; Martin Clémancey; Jean-Louis Oddou; Adeline Y. Robin; Lilian Jacquamet; Lionel Dubois; Geneviève Blondin; Jean-Marc Latour","Reversible (De)protonation-Induced Valence Inversion in Mixed-Valent Diiron(II,III) Complexes","Inorganic Chemistry","2011","50","","6408","6410","10.1021/ic2007414","","","0.97959","","","0.082","0.0726","","","0.1653","0.1755","","","","","","1.071","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325681","20.632","0.003","19.729","0.003","23.833","0.003","90","","101.088","0.011","90","","9520","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3-bis(meso-tetratolyl-2-aza-21-carbaporphyrin) dihydrochloride","","- C101 H81 Cl17 N8 -","- C101 H81 Cl17 N8 -","- C404 H324 Cl68 N32 -","4","0.5","","Piotr J. Chmielewski; Marta Siczek; Ludmiła Szterenberg","Protonated N-Confused Porphyrin Dimer: Formation, Structure, and Guest Binding","Inorganic Chemistry","2011","50","","6719","6736","10.1021/ic200742d","","x-ray","1.54184","CuKα","","0.1267","0.0838","","","0.2042","0.2219","","","","","","0.911","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325682","17.17","0.006","17.695","0.006","40.55","0.03","90","","94.06","0.03","90","","12289","11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3-bis(meso-tetratolyl-2-aza-21-carbaporphyrin) tetrahydrochloride","","- C105.2 H91.2 Cl31.6 N8 O2 -","- C105.2 H91.2 Cl31.6 N8 O2 -","- C420.8 H364.8 Cl126.4 N32 O8 -","4","0.5","","Piotr J. Chmielewski; Marta Siczek; Ludmiła Szterenberg","Protonated N-Confused Porphyrin Dimer: Formation, Structure, and Guest Binding","Inorganic Chemistry","2011","50","","6719","6736","10.1021/ic200742d","","x-ray","0.71073","MoKα","","0.1109","0.0988","","","0.2106","0.2159","","","","","","1.141","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325683","13.6","0.003","17.361","0.004","20.361","0.005","91.38","0.03","98.78","0.03","108.92","0.03","4480","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3-bis(meso-tetratolyl-2-aza-21-carbaporphyrin)","","- C100.58 H81.58 Cl10.73 N8 O -","- C100.58 H81.58 Cl10.74 N8 O -","- C201.16 H163.16 Cl21.48 N16 O2 -","2","1","","Piotr J. Chmielewski; Marta Siczek; Ludmiła Szterenberg","Protonated N-Confused Porphyrin Dimer: Formation, Structure, and Guest Binding","Inorganic Chemistry","2011","50","","6719","6736","10.1021/ic200742d","","x-ray","0.71073","MoKα","","0.0898","0.0571","","","0.1547","0.1664","","","","","","0.909","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325684","17.4447","0.0018","23.121","0.002","28.984","0.003","90","","106.268","0.002","90","","11222.3","1.9","200","","200","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C95 H158 Mn Mo6 N13 O28 -","- C95 H158 Mn Mo6 N13 O28 -","- C380 H632 Mn4 Mo24 N52 O112 -","4","1","","Marie-Pierre Santoni; Amlan K. Pal; Garry S. Hanan; Anna Proust; Bernold Hasenknopf","Discrete Covalent Organic-Inorganic Hybrids: Terpyridine Functionalized Polyoxometalates Obtained by a Modular Strategy and Their Metal Complexation","Inorganic Chemistry","2011","50","","6737","6745","10.1021/ic200752v","","","0.71073","MoKα","","0.104","0.0661","","","0.1926","0.2134","","","","","","0.991","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325685","43.2834","0.0012","16.4677","0.0005","16.4447","0.0005","90","","110.398","0.001","90","","10986.4","0.6","200","","200","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H106 N10 O21 V6 -","- C72 H106 N10 O21 V6 -","- C288 H424 N40 O84 V24 -","4","0.5","","Marie-Pierre Santoni; Amlan K. Pal; Garry S. Hanan; Anna Proust; Bernold Hasenknopf","Discrete Covalent Organic-Inorganic Hybrids: Terpyridine Functionalized Polyoxometalates Obtained by a Modular Strategy and Their Metal Complexation","Inorganic Chemistry","2011","50","","6737","6745","10.1021/ic200752v","","","1.54178","CuKα","","0.061","0.0529","","","0.1535","0.158","","","","","","1.025","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325686","11.9216","0.0005","13.4517","0.0006","18.7042","0.0007","110.218","0.005","98.147","0.005","100.074","0.005","2704.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H66 N4 Ni2 O4 -","- C48 H66 N4 Ni2 O4 -","- C96 H132 N8 Ni4 O8 -","2","1","","Tim J. Dunn; Caterina F. Ramogida; Curtis Simmonds; Alisa Paterson; Edwin W. Y. Wong; Linus Chiang; Yuichi Shimazaki; Tim Storr","Non-Innocent Ligand Behavior of a Bimetallic Ni Schiff-Base Complex Containing a Bridging Catecholate","Inorganic Chemistry","2011","50","","6746","6755","10.1021/ic200785g","","","0.71069","MoKα","","0.0888","0.0493","","","0.1223","0.1334","","","","","","0.979","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325687","11.4055","0.0017","13.23","0.002","17.62","0.003","105.773","0.002","90.269","0.002","91.001","0.002","2558.1","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H66 Ag F6 N4 Ni2 O4 Sb -","- C48 H66 Ag F6 N4 Ni2 O4 Sb -","- C96 H132 Ag2 F12 N8 Ni4 O8 Sb2 -","2","1","","Tim J. Dunn; Caterina F. Ramogida; Curtis Simmonds; Alisa Paterson; Edwin W. Y. Wong; Linus Chiang; Yuichi Shimazaki; Tim Storr","Non-Innocent Ligand Behavior of a Bimetallic Ni Schiff-Base Complex Containing a Bridging Catecholate","Inorganic Chemistry","2011","50","","6746","6755","10.1021/ic200785g","","","0.71073","MoKα","","0.1479","0.0828","","0.1309","0.1026","0.1005","","","","","","1.8226","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325688","23.795","0.003","23.795","0.003","18.707","0.003","90","","90","","90","","10592","3","110","2","110","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H72 Al2 N2 O4 -","- C46 H72 Al2 N2 O4 -","- C368 H576 Al16 N16 O32 -","8","0.5","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.0927","0.0633","","","0.1578","0.1712","","","","","","1.104","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325689","9.5815","0.0012","13.506","0.002","18.158","0.003","89.262","0.009","86.668","0.009","75.039","0.009","2266.3","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H72 Al2 N2 O4 Si2 -","- C44 H72 Al2 N2 O4 Si2 -","- C88 H144 Al4 N4 O8 Si4 -","2","1","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.0435","0.0369","","","0.0962","0.1052","","","","","","1.045","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325690","32.81","0.007","20.945","0.005","17.91","0.004","90","","90","","90","","12308","5","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H64 Al2 N2 O4 -","- C40 H64 Al2 N2 O4 -","- C480 H768 Al24 N24 O48 -","12","1.5","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.1077","0.0873","","","0.2201","0.2348","","","","","","1.066","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325691","14.234","0.004","8.985","0.003","18.655","0.005","90","","123.063","0.016","90","","1999.5","1.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Al2 N2 O4 -","- C40 H64 Al2 N2 O4 -","- C80 H128 Al4 N4 O8 -","2","0.5","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.1233","0.0945","","","0.2215","0.2334","","","","","","1.019","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325692","10.847","0.004","12.387","0.005","18.808","0.007","106.82","0.02","91.91","0.02","90.5","0.02","2417.2","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H72 Al2 Cl4 N2 O4 -","- C44 H72 Al2 Cl4 N2 O4 -","- C88 H144 Al4 Cl8 N4 O8 -","2","1","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.1508","0.1225","","","0.302","0.3281","","","","","","1.235","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325693","20.036","0.002","13.6282","0.0014","17.6152","0.0019","90","","96.586","0.006","90","","4778.2","0.9","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Al2 N2 O8 -","- C42 H48 Al2 N2 O8 -","- C168 H192 Al8 N8 O32 -","4","1","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.1061","0.0964","","","0.2061","0.2099","","","","","","1.128","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325694","16.202","0.006","17.644","0.007","18.126","0.006","74.59","0.02","66.12","0.02","75.58","0.02","4509","3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H124 Al4 B2 F48 N4 O10 -","- C132 H124 Al4 B2 F48 N4 O10 -","- C132 H124 Al4 B2 F48 N4 O10 -","1","0.5","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.1486","0.101","","","0.2435","0.2762","","","","","","0.916","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325695","29.458","0.002","20.3463","0.0015","30.256","0.002","90","","102.383","0.004","90","","17712","2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C150 H145 Al4 B2 Cl18 F48 N4 O18 -","- C150 H145 Al4 B2 Cl18 F48 N4 O18 -","- C600 H580 Al16 B8 Cl72 F192 N16 O72 -","4","1","","Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson","Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes","Inorganic Chemistry","2011","50","","6775","6787","10.1021/ic2008057","","","1.54178","CuKα","","0.2258","0.1655","","","0.327","0.3404","","","","","","3.754","","","","has coordinates,has disorder","179359","2020-10-21","18:00:00",""
"4325696","11.9276","0.0009","12.5672","0.001","25.0317","0.0019","100.238","0.003","96.555","0.003","100.003","0.003","3595.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H170 Ag4 Cl2 N62 O51 -","- C116 H148 Ag4 Cl2 N62 O51 -","- C116 H148 Ag4 Cl2 N62 O51 -","1","0.5","","Jin-Ping Zeng; Hang Cong; Kai Chen; Sai-Feng Xue; Yun-Qian Zhang; Qian-Jiang Zhu; Jing-Xin Liu; Zhu Tao","A Novel Strategy To Assemble Achiral Ligands to Chiral Helical Polyrotaxane Structures","Inorganic Chemistry","2011","50","","6521","6525","10.1021/ic200850r","","","0.71073","MoKα","","0.1332","0.1249","","","0.3445","0.356","","","","","","1.168","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325697","11.175","0.003","17.723","0.003","37.034","0.011","90","","94.17","0.04","90","","7315","3","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl3 N4 Sc Ti3 -","- C30 H48 Cl3 N4 Sc Ti3 -","- C240 H384 Cl24 N32 Sc8 Ti24 -","8","2","","Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Molecular Nitrides with Titanium and Rare-Earth Metals","Inorganic Chemistry","2011","50","","6798","6808","10.1021/ic2008683","","x-ray","0.71073","MoKα","","0.1616","0.0742","","","0.1645","0.2062","","","","","","1.004","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325698","11.118","0.003","17.895","0.003","37.373","0.005","90","","94.199","0.015","90","","7416","3","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl3 Lu N4 Ti3 -","- C30 H48 Cl3 Lu N4 Ti3 -","- C240 H384 Cl24 Lu8 N32 Ti24 -","8","2","","Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Molecular Nitrides with Titanium and Rare-Earth Metals","Inorganic Chemistry","2011","50","","6798","6808","10.1021/ic2008683","","x-ray","0.71073","MoKα","","0.1254","0.0687","","","0.1625","0.194","","","","","","1.032","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325699","12.443","0.002","21.245","0.002","23.112","0.006","90","","110.973","0.017","90","","5704.9","1.9","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H82 N4 O3 Ti3 Y -","- C54 H75 N4 O3 Ti3 Y -","- C216 H300 N16 O12 Ti12 Y4 -","4","1","","Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Molecular Nitrides with Titanium and Rare-Earth Metals","Inorganic Chemistry","2011","50","","6798","6808","10.1021/ic2008683","","x-ray","0.71073","MoKα","","0.0704","0.0407","","","0.1055","0.1167","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325700","14.7173","0.0013","15.433","0.005","16.701","0.005","90","","90","","90","","3793.3","1.7","200","2","200","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","","","- C74 H109 N8 Ti6 Y -","- C60 H93 N8 Ti6 Y -","- C120 H186 N16 Ti12 Y2 -","2","0.25","","Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Molecular Nitrides with Titanium and Rare-Earth Metals","Inorganic Chemistry","2011","50","","6798","6808","10.1021/ic2008683","","x-ray","0.71073","MoKα","","0.1176","0.0959","","","0.2371","0.2512","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325701","27.961","0.006","11.5876","0.0011","20.911","0.005","90","","106.13","0.02","90","","6508","2","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H93 La N8 Ti6 -","- C60 H93 La N8 Ti6 -","- C240 H372 La4 N32 Ti24 -","4","0.5","","Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Molecular Nitrides with Titanium and Rare-Earth Metals","Inorganic Chemistry","2011","50","","6798","6808","10.1021/ic2008683","","x-ray","0.71073","MoKα","","0.1003","0.0558","","","0.1245","0.1422","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325702","14.6538","0.0013","15.439","0.004","16.711","0.004","90","","90","","90","","3780.7","1.4","200","2","200","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","","","- C74 H109 Lu N8 Ti6 -","- C60 H93 Lu N8 Ti6 -","- C120 H186 Lu2 N16 Ti12 -","2","0.25","","Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Molecular Nitrides with Titanium and Rare-Earth Metals","Inorganic Chemistry","2011","50","","6798","6808","10.1021/ic2008683","","x-ray","0.71073","MoKα","","0.1127","0.0739","","","0.1934","0.2128","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325703","10.2843","0.0015","10.2843","0.0015","8.477","0.0017","90","","90","","120","","776.5","0.2","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B5 Be2 H O13 Sr3 -","- B4.99 Be2.01 H O13 Sr3 -","- B14.97 Be6.03 H3 O39 Sr9 -","3","0.166667","","Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH)","Inorganic Chemistry","2011","50","","6809","6813","10.1021/ic2008705","","","0.71073","MoKα","","0.025","0.0249","","","0.0613","0.0614","","","","","","1.131","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325704","10.5615","0.0015","10.5615","0.0015","8.8574","0.0018","90","","90","","120","","855.6","0.2","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B5 Ba3 Be2 H O13 -","- B4.99 Ba3 Be2.01 H O13 -","- B14.97 Ba9 Be6.03 H3 O39 -","3","0.166667","","Colin D. McMillen; Joseph W. Kolis","Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH)","Inorganic Chemistry","2011","50","","6809","6813","10.1021/ic2008705","","","0.71073","MoKα","","0.0159","0.0159","","","0.0387","0.0387","","","","","","1.17","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325705","12.212","0.0008","13.6871","0.001","18.49","0.0009","71.582","0.007","85.124","0.006","66.051","0.005","2676.5","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H66 N6 O9 P2 Sb3 -","- C36 H59 N6 O9 P2 Sb3 -","- C72 H118 N12 O18 P4 Sb6 -","2","1","","Tomáš Svoboda; Libor Dostál; Roman Jambor; Aleš Růžička; Robert Jirásko; Antonín Lyčka","NCN-Chelated Organoantimony(III) and Organobismuth(III) Phosphates: Synthesis and Solid-State and Solution Structures","Inorganic Chemistry","2011","50","","6411","6413","10.1021/ic2009144","","","0.71073","MoKα","","0.0417","0.0309","","","0.064","0.0679","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325706","20.437","0.0008","24.8581","0.0019","11.143","0.0002","90","","90","","90","","5660.9","0.5","150","1","150","1","","","","","","","","7","P b a m","-P 2 2ab","55","","","","- C39 H67 Cl6 N6 O10 P2 Sb3 -","- C39 H67 Cl6 N6 O10 P2 Sb3 -","- C156 H268 Cl24 N24 O40 P8 Sb12 -","4","0.5","","Tomáš Svoboda; Libor Dostál; Roman Jambor; Aleš Růžička; Robert Jirásko; Antonín Lyčka","NCN-Chelated Organoantimony(III) and Organobismuth(III) Phosphates: Synthesis and Solid-State and Solution Structures","Inorganic Chemistry","2011","50","","6411","6413","10.1021/ic2009144","","","0.71073","MoKα","","0.0534","0.044","","","0.0973","0.1024","","","","","","1.005","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325707","26.4755","0.0011","8.7326","0.0004","13.7296","0.0008","90","","115.381","0.0026","90","","2867.9","0.3","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","sd136","4-Aza-5-(3-bromophenyl)dibenzophosphole-5-oxide","","- C17 H11 Br N O P -","- C17 H11 Br N O P -","- C136 H88 Br8 N8 O8 P8 -","8","1","","Stefan Durben; Thomas Baumgartner","Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character","Inorganic Chemistry","2011","50","","6823","6836","10.1021/ic200951x","","","0.7107","MoKα","","0.0897","0.0595","","","0.1205","0.1375","","","","","","1.105","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325708","11.3208","0.0003","8.4178","0.0004","16.3424","0.0009","90","","119.65","0.008","90","","1353.45","0.15","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","sd117","","","- C17 H12 N O P -","- C17 H12 N O P -","- C68 H48 N4 O4 P4 -","4","1","","Stefan Durben; Thomas Baumgartner","Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character","Inorganic Chemistry","2011","50","","6823","6836","10.1021/ic200951x","","","0.7107","MoKα","","0.0592","0.0506","","","0.1412","0.1586","","","","","","1.217","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325709","9.9305","0.0007","9.5391","0.0004","14.1372","0.0009","90","","92.259","0.002","90","","1338.15","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","sd118","","","- C17 H12 N O P -","- C17 H12 N O P -","- C68 H48 N4 O4 P4 -","4","1","","Stefan Durben; Thomas Baumgartner","Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character","Inorganic Chemistry","2011","50","","6823","6836","10.1021/ic200951x","","","0.7107","MoKα","","0.0574","0.0485","","","0.1373","0.1591","","","","","","1.191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325710","9.7205","0.0007","10.9312","0.0009","12.9728","0.0009","90","","130.86","0.018","90","","1042.5","0.3","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","sd104","3-Bromo-4-(2-bromophenyl)pyridine","","- C11 H7 Br2 N -","- C11 H7 Br2 N -","- C44 H28 Br8 N4 -","4","1","","Stefan Durben; Thomas Baumgartner","Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character","Inorganic Chemistry","2011","50","","6823","6836","10.1021/ic200951x","","","0.7107","MoKα","","0.0752","0.057","","","0.1223","0.1354","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325711","7.0706","0.0003","10.6491","0.0005","14.1876","0.0004","90","","90","","90","","1068.26","0.07","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","sd102","2-Bromo-3-(2-bromophenyl)pyridine","","- C11 H7 Br2 N -","- C11 H7 Br2 N -","- C44 H28 Br8 N4 -","4","1","","Stefan Durben; Thomas Baumgartner","Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character","Inorganic Chemistry","2011","50","","6823","6836","10.1021/ic200951x","","","0.7107","MoKα","","0.0487","0.0389","","","0.0775","0.0866","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325712","8.0378","0.0008","13.8834","0.0013","16.565","0.0015","96.774","0.002","100.237","0.002","93.746","0.002","1799.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Cl F6 Fe N3 -","- C40 H34 Cl F6 Fe N3 -","- C80 H68 Cl2 F12 Fe2 N6 -","2","1","","Austin B. Scharf; Theodore A. Betley","Electronic Perturbations of Iron Dipyrrinato Complexes via Ligand β-Halogenation and meso-Fluoroarylation","Inorganic Chemistry","2011","50","","6837","6845","10.1021/ic2009539","","","0.41328","synchrotron","","0.0609","0.0445","","","0.1022","0.1097","","","","","","1.054","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325713","8.845","0.003","14.897","0.005","23.629","0.008","90","","100.233","0.005","90","","3063.9","1.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Br2 N2 -","- C36 H36 Br2 N2 -","- C144 H144 Br8 N8 -","4","0.5","","Austin B. Scharf; Theodore A. Betley","Electronic Perturbations of Iron Dipyrrinato Complexes via Ligand β-Halogenation and meso-Fluoroarylation","Inorganic Chemistry","2011","50","","6837","6845","10.1021/ic2009539","","","0.71073","MoKα","","0.0844","0.0774","","","0.2139","0.2211","","","","","","1.066","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325714","13.357","0.005","35.402","0.013","14.629","0.006","90","","101.776","0.007","90","","6772","5","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H42 N6 O2 -","- C38 H42 N6 O2 -","- C304 H336 N48 O16 -","8","4","","Arnau Arbuse; Sukanta Mandal; Somnath Maji; Ma Angeles Martínez; Xavier Fontrodona; Diana Utz; Frank W. Heinemann; Sandra Kisslinger; Siegfried Schindler; Xavier Sala; Antoni Llobet","Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes","Inorganic Chemistry","2011","50","","6878","6889","10.1021/ic102185y","","","0.71073","MoKα","","0.1275","0.0563","","","0.1371","0.1755","","","","","","0.978","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325715","15.203","0.003","18.211","0.003","19.084","0.003","90","","99.371","0.003","90","","5213.1","1.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H51 Cu2 F6 N9 O8 S2 -","- C46 H51 Cu2 F6 N9 O8 S2 -","- C184 H204 Cu8 F24 N36 O32 S8 -","4","1","","Arnau Arbuse; Sukanta Mandal; Somnath Maji; Ma Angeles Martínez; Xavier Fontrodona; Diana Utz; Frank W. Heinemann; Sandra Kisslinger; Siegfried Schindler; Xavier Sala; Antoni Llobet","Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes","Inorganic Chemistry","2011","50","","6878","6889","10.1021/ic102185y","","","0.71073","MoKα","","0.0617","0.0399","","","0.0948","0.1042","","","","","","1.041","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325716","12.008","0.018","15.72","0.02","20.01","0.03","109.82","0.03","104.97","0.03","97.76","0.03","3328","8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 Cu3 F18 N12 Sb3 -","- C54 H60 Cu3 F18 N12 Sb3 -","- C108 H120 Cu6 F36 N24 Sb6 -","2","1","","Arnau Arbuse; Sukanta Mandal; Somnath Maji; Ma Angeles Martínez; Xavier Fontrodona; Diana Utz; Frank W. Heinemann; Sandra Kisslinger; Siegfried Schindler; Xavier Sala; Antoni Llobet","Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes","Inorganic Chemistry","2011","50","","6878","6889","10.1021/ic102185y","","","0.71073","MoKα","","0.2401","0.1076","","","0.2784","0.3216","","","","","","0.91","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325717","15.72","0.02","16.73","0.02","18.04","0.03","104.45","0.03","111.79","0.03","106.39","0.03","3878","10","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H76 Cu3 F9 N12 O14 S3 -","- C66 H72 Cu3 F9 N12 O12 S3 -","- C132 H144 Cu6 F18 N24 O24 S6 -","2","1","","Arnau Arbuse; Sukanta Mandal; Somnath Maji; Ma Angeles Martínez; Xavier Fontrodona; Diana Utz; Frank W. Heinemann; Sandra Kisslinger; Siegfried Schindler; Xavier Sala; Antoni Llobet","Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes","Inorganic Chemistry","2011","50","","6878","6889","10.1021/ic102185y","","","0.71073","MoKα","","0.2927","0.085","","","0.1806","0.2471","","","","","","0.766","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325718","11.383","0.006","14.732","0.008","20.652","0.011","84.485","0.01","80.547","0.009","86.199","0.01","3396","3","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H76 Cu3 F9 N12 O10 S3 -","- C55 H76 Cu3 F9 N12 O10 S3 -","- C110 H152 Cu6 F18 N24 O20 S6 -","2","1","","Arnau Arbuse; Sukanta Mandal; Somnath Maji; Ma Angeles Martínez; Xavier Fontrodona; Diana Utz; Frank W. Heinemann; Sandra Kisslinger; Siegfried Schindler; Xavier Sala; Antoni Llobet","Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes","Inorganic Chemistry","2011","50","","6878","6889","10.1021/ic102185y","","","0.71073","MoKα","","0.3572","0.0919","","","0.2004","0.2806","","","","","","0.84","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325719","11.4563","0.0003","17.6766","0.0006","36.2546","0.001","80.62","0.002","81.518","0.002","82.902","0.002","7127.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64.75 H84 Cu3 F18 N12 O3.75 P3 -","- C64.75 H83 Cu3 F18 N12 O3.75 P3 -","- C259 H332 Cu12 F72 N48 O15 P12 -","4","2","","Arnau Arbuse; Sukanta Mandal; Somnath Maji; Ma Angeles Martínez; Xavier Fontrodona; Diana Utz; Frank W. Heinemann; Sandra Kisslinger; Siegfried Schindler; Xavier Sala; Antoni Llobet","Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes","Inorganic Chemistry","2011","50","","6878","6889","10.1021/ic102185y","","","0.71073","MoKα","","0.1632","0.0869","","","0.1976","0.2238","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325720","10.9269","0.0014","32.212","0.004","17.67","0.002","90","","91.066","0.002","90","","6218.4","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H58.7 B3 Cu2 F12 N9 O13.35 -","- C47 H56 B3 Cu2 F12 N9 O13.352 -","- C188 H224 B12 Cu8 F48 N36 O53.408 -","4","0.5","","Mihail Atanasov; Peter Comba; Graeme R. Hanson; Sascha Hausberg; Stefan Helmle; Hubert Wadepohl","Cyano-bridged Homodinuclear Copper(II) Complexes","Inorganic Chemistry","2011","50","","6890","6901","10.1021/ic102430a","","x-ray","0.71073","MoKα","","0.1026","0.067","","","0.1929","0.2109","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325721","10.7803","0.0012","11.4326","0.0013","15.2066","0.0017","78.649","0.002","70.449","0.002","71.26","0.002","1664.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H62 B3 Cu2 F12 N11 O12 -","- C57 H62 B3.004 Cu2 F12.016 N11 O12 -","- C57 H62 B3.004 Cu2 F12.016 N11 O12 -","1","0.5","","Mihail Atanasov; Peter Comba; Graeme R. Hanson; Sascha Hausberg; Stefan Helmle; Hubert Wadepohl","Cyano-bridged Homodinuclear Copper(II) Complexes","Inorganic Chemistry","2011","50","","6890","6901","10.1021/ic102430a","","x-ray","0.71073","MoKα","","0.0833","0.0571","","","0.1625","0.1778","","","","","","1.091","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325722","9.1823","0.0018","11.544","0.002","14.416","0.003","93.71","0.03","95.65","0.03","109.51","0.03","1425.6","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H28 B Cu F4 N5 O6 -","- C24 H28 B Cu F4 N5 O6 -","- C48 H56 B2 Cu2 F8 N10 O12 -","2","1","","Mihail Atanasov; Peter Comba; Graeme R. Hanson; Sascha Hausberg; Stefan Helmle; Hubert Wadepohl","Cyano-bridged Homodinuclear Copper(II) Complexes","Inorganic Chemistry","2011","50","","6890","6901","10.1021/ic102430a","","","0.71073","MoKα","","0.0657","0.042","","","0.0935","0.0978","","","","","","0.876","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325723","15.0345","0.0016","9.9685","0.0011","20.304","0.002","90","","98.743","0.002","90","","3007.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 B Cu F4 N6 O6 -","- C30 H33 B Cu F4 N6 O6 -","- C120 H132 B4 Cu4 F16 N24 O24 -","4","1","","Mihail Atanasov; Peter Comba; Graeme R. Hanson; Sascha Hausberg; Stefan Helmle; Hubert Wadepohl","Cyano-bridged Homodinuclear Copper(II) Complexes","Inorganic Chemistry","2011","50","","6890","6901","10.1021/ic102430a","","x-ray","0.71073","MoKα","","0.0599","0.0455","","","0.1219","0.1345","","","","","","1.091","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325724","11.079","0.006","34.385","0.018","35.122","0.018","90","","90","","90","","13380","12","100","2","100","2","","","","","","","","7","C c c 2","C 2 -2c","37","","","","- C59 H66 B3 F12 N11 Ni2 O12 -","- C59 H66 B3 F12 N11 Ni2 O12 -","- C472 H528 B24 F96 N88 Ni16 O96 -","8","1","","Mihail Atanasov; Peter Comba; Graeme R. Hanson; Sascha Hausberg; Stefan Helmle; Hubert Wadepohl","Cyano-bridged Homodinuclear Copper(II) Complexes","Inorganic Chemistry","2011","50","","6890","6901","10.1021/ic102430a","","x-ray","0.71073","MoKα","","0.0723","0.0458","","","0.1105","0.1239","","","","","","1.058","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325725","14.188","0.007","15.174","0.008","16.069","0.007","76.896","0.01","79.473","0.01","66.342","0.009","3070","3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H110 Cr2 Mn6 N24 O19 -","- C114 H110 Cr2 Mn6 N24 O19 -","- C114 H110 Cr2 Mn6 N24 O19 -","1","0.5","","Hong-Bo Zhou; Jun Wang; Hui-Sheng Wang; Yong-Lu Xu; Xiao-Jiao Song; You Song; Xiao-Zeng You","Synthesis, Structure, and Magnetic Properties of Three 1D Chain Complexes Based on High-Spin Metal-Cyanide Clusters: [MnIII6MIII] (M = Cr, Fe, Co)","Inorganic Chemistry","2011","50","","6868","6877","10.1021/ic102527h","","","0.71073","MoKα","","0.0938","0.0563","","","0.1061","0.1146","","","","","","1.026","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325726","13.5618","0.0015","15.2016","0.0017","17.6478","0.0019","70.277","0.002","76.339","0.002","86.548","0.002","3327.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H67 Fe Mn3 N13 O11 -","- C62 H67 Fe Mn3 N13 O11 -","- C124 H134 Fe2 Mn6 N26 O22 -","2","1","","Hong-Bo Zhou; Jun Wang; Hui-Sheng Wang; Yong-Lu Xu; Xiao-Jiao Song; You Song; Xiao-Zeng You","Synthesis, Structure, and Magnetic Properties of Three 1D Chain Complexes Based on High-Spin Metal-Cyanide Clusters: [MnIII6MIII] (M = Cr, Fe, Co)","Inorganic Chemistry","2011","50","","6868","6877","10.1021/ic102527h","","","0.71073","MoKα","","0.0782","0.0588","","","0.1545","0.1634","","","","","","1.007","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325727","13.5618","0.0015","15.2016","0.0017","17.6478","0.0019","70.277","0.002","76.339","0.002","86.548","0.002","3327.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H67 Co Mn3 N13 O11 -","- C62 H67 Co Mn3 N13 O11 -","- C124 H134 Co2 Mn6 N26 O22 -","2","1","","Hong-Bo Zhou; Jun Wang; Hui-Sheng Wang; Yong-Lu Xu; Xiao-Jiao Song; You Song; Xiao-Zeng You","Synthesis, Structure, and Magnetic Properties of Three 1D Chain Complexes Based on High-Spin Metal-Cyanide Clusters: [MnIII6MIII] (M = Cr, Fe, Co)","Inorganic Chemistry","2011","50","","6868","6877","10.1021/ic102527h","","","0.71073","MoKα","","0.0948","0.0612","","","0.1685","0.179","","","","","","0.948","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325728","10.0747","0.0003","23.8833","0.0006","11.3984","0.0004","90","","116.64","0.001","90","","2451.49","0.13","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C25 H11 Au Cu F10 N3 -","- C25 H11 Au Cu F10 N3 -","- C100 H44 Au4 Cu4 F40 N12 -","4","1","","José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; David Pascual; María Rodríguez-Castillo","Influence of the Electronic Characteristics of N-Donor Ligands in the Excited State of Heteronuclear Gold(I)-Copper(I) Systems","Inorganic Chemistry","2011","50","","6910","6921","10.1021/ic102550z","","x-ray","0.71073","MoKα","","0.0519","0.0319","","","0.0575","0.0642","","","","","","1.038","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325729","19.2579","0.0008","10.2493","0.0004","28.8366","0.0011","90","","105.266","0.002","90","","5490.9","0.4","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","rpmrk337","","","- C23 H9 Au Cl10 Cu N3 -","- C23 H9 Au Cl10 Cu N3 -","- C184 H72 Au8 Cl80 Cu8 N24 -","8","1","","José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; David Pascual; María Rodríguez-Castillo","Influence of the Electronic Characteristics of N-Donor Ligands in the Excited State of Heteronuclear Gold(I)-Copper(I) Systems","Inorganic Chemistry","2011","50","","6910","6921","10.1021/ic102550z","","x-ray","0.71073","MoKα","","0.0916","0.0461","","","0.0713","0.0814","","","","","","1.02","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325730","10.492","0.002","10.727","0.002","11.137","0.002","67.04","0.02","64.89","0.02","88.32","0.02","1031","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 F6 Mn2 N6 O14 P -","- C30 H32 F6 Mn2 N6 O14 P -","- C30 H32 F6 Mn2 N6 O14 P -","1","0.5","","Dong-Fang Zhou; Qiu-Yun Chen; Yan Qi; Hai-Jian Fu; Zan Li; Kai-Di Zhao; Jing Gao","Anticancer Activity, Attenuation on the Absorption of Calcium in Mitochondria, and Catalase Activity for Manganese Complexes of N-Substituted Di(picolyl)amine","Inorganic Chemistry","2011","50","","6929","6937","10.1021/ic200004y","","","0.71073","MoKα","","0.0767","0.0617","","","0.176","0.1979","","","","","","1.068","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325731","12.428","0.003","15.274","0.003","19.781","0.004","90","","90.72","0.03","90","","3754.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl4 Mn2 N6 -","- C38 H38 Cl4 Mn2 N6 -","- C152 H152 Cl16 Mn8 N24 -","4","1","","Dong-Fang Zhou; Qiu-Yun Chen; Yan Qi; Hai-Jian Fu; Zan Li; Kai-Di Zhao; Jing Gao","Anticancer Activity, Attenuation on the Absorption of Calcium in Mitochondria, and Catalase Activity for Manganese Complexes of N-Substituted Di(picolyl)amine","Inorganic Chemistry","2011","50","","6929","6937","10.1021/ic200004y","","","0.71073","MoKα","","0.1212","0.084","","","0.1381","0.1548","","","","","","1.188","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325732","8.9117","0.0018","19.347","0.004","12.415","0.003","90","","106.36","0.03","90","","2053.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl6 Mn3 N8 O2 -","- C36 H36 Cl6 Mn3 N8 O2 -","- C72 H72 Cl12 Mn6 N16 O4 -","2","0.5","","Dong-Fang Zhou; Qiu-Yun Chen; Yan Qi; Hai-Jian Fu; Zan Li; Kai-Di Zhao; Jing Gao","Anticancer Activity, Attenuation on the Absorption of Calcium in Mitochondria, and Catalase Activity for Manganese Complexes of N-Substituted Di(picolyl)amine","Inorganic Chemistry","2011","50","","6929","6937","10.1021/ic200004y","","","0.71073","MoKα","","0.0447","0.0363","","","0.0865","0.0914","","","","","","1.069","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325733","12.2441","0.0003","13.6298","0.0004","28.0083","0.0007","90","","96.909","0.002","90","","4640.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cu2 N4 O P2 -","- C50 H44 Cu2 N4 O P2 -","- C200 H176 Cu8 N16 O4 P8 -","4","1","","Gengwen Tan; Hongping Zhu","Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper","Inorganic Chemistry","2011","50","","6979","6986","10.1021/ic200008z","","","0.71073","MoKα","","0.0604","0.0418","","","0.1187","0.1242","","","","","","0.968","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325734","15.9968","0.0007","17.4056","0.0007","22.3356","0.001","90","","90","","90","","6219","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Cu N4 O0 P -","- C34 H38 Cu N4 P -","- C272 H304 Cu8 N32 P8 -","8","1","","Gengwen Tan; Hongping Zhu","Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper","Inorganic Chemistry","2011","50","","6979","6986","10.1021/ic200008z","","","0.71073","MoKα","","0.1234","0.0472","","","0.0612","0.0714","","","","","","0.802","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325735","11.1838","0.0008","8.8057","0.0008","16.4636","0.0013","90","","97.681","0.007","90","","1606.8","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 Cu N4 P S -","- C34 H38 Cu N4 P S -","- C68 H76 Cu2 N8 P2 S2 -","2","1","","Gengwen Tan; Hongping Zhu","Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper","Inorganic Chemistry","2011","50","","6979","6986","10.1021/ic200008z","","","0.71073","MoKα","","0.1029","0.0451","","","0.0389","0.0453","","","","","","0.687","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325736","13.0045","0.001","21.916","0.0014","21.3005","0.0018","90","","98.395","0.007","90","","6005.7","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Cu2 N6 P3 S3 -","- C69 H54 Cu2 N6 P3 S3 -","- C276 H216 Cu8 N24 P12 S12 -","4","1","","Gengwen Tan; Hongping Zhu","Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper","Inorganic Chemistry","2011","50","","6979","6986","10.1021/ic200008z","","","0.71073","MoKα","","0.1643","0.0568","","","0.0821","0.0975","","","","","","0.788","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325737","14.2716","0.0006","17.6685","0.0009","35.8182","0.0016","90","","90","","90","","9031.8","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H50 Cu N4 P2 S2 -","- C52 H50 Cu N4 P2 S2 -","- C416 H400 Cu8 N32 P16 S16 -","8","1","","Gengwen Tan; Hongping Zhu","Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper","Inorganic Chemistry","2011","50","","6979","6986","10.1021/ic200008z","","","0.71073","MoKα","","0.1181","0.0933","","","0.2131","0.2262","","","","","","1.177","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325738","11.085","0.002","12.567","0.003","13.011","0.003","70.445","0.007","69.832","0.007","80.217","0.007","1600.2","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H82 Cl4 Li2 N24 O30 -","- C40 H44 Cl4 Li2 N24 O20 -","- C40 H44 Cl4 Li2 N24 O20 -","1","0.5","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.1367","0.1174","","","0.3089","0.3187","","","","","","1.057","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325739","22.947","0.005","31.395","0.006","32.718","0.007","90","","90","","90","","23571","8","223","2","223","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C80 H152 Cl2 N48 Na2 O56 -","- C80 H88 Cl2 N48 Na2 O32 -","- C640 H704 Cl16 N384 Na16 O256 -","8","0.25","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.1081","0.0787","","","0.2197","0.235","","","","","","1.045","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325740","23.0629","0.0016","31.7424","0.0016","32.528","0.003","90","","90","","90","","23813","3","223","2","223","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C40 H72 Br2 N24 Na O25.5 -","- C40 H44 Br2 N24 Na O19 -","- C640 H704 Br32 N384 Na16 O304 -","16","0.5","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.1243","0.0861","","","0.267","0.2914","","","","","","1.047","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4325741","22.0717","0.0017","31.444","0.003","32.9292","0.0017","90","","90","","90","","22854","3","273","2","273","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C80 H124 Cl6 K4 N48 O41 -","- C80 H88 Cl6 K4 N48 O33 -","- C640 H704 Cl48 K32 N384 O264 -","8","0.25","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.0874","0.0781","","","0.2455","0.2555","","","","","","1.074","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325742","22.0414","0.0017","31.67","0.003","32.949","0.0017","90","","90","","90","","23000","3","223","2","223","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H61 Br2 Cl K2 N24 O20 -","- C40 H44 Br2 Cl K2 N24 O20 -","- C640 H704 Br32 Cl16 K32 N384 O320 -","16","0.5","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.1027","0.0849","","","0.2652","0.2774","","","","","","1.081","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325743","11.8214","0.0014","12.9387","0.0008","13.0732","0.0008","117.784","0.002","94.009","0.003","104.474","0.003","1671.9","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H82 I2 K2 N24 O31 -","- C40 H44 I2 K2 N24 O19 -","- C40 H44 I2 K2 N24 O19 -","1","0.5","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.0532","0.0429","","","0.1141","0.1198","","","","","","1.069","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325744","14.3377","0.0017","14.3877","0.0018","27.836","0.004","81.131","0.004","89.708","0.004","65.254","0.004","5141.2","1.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H301 Cl K2 N74 O126 -","- C120 H132 Cl K2 N74 O48 -","- C120 H132 Cl K2 N74 O48 -","1","0.5","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.1376","0.0641","","","0.1445","0.1662","","","","","","0.803","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325745","22.291","0.006","31.654","0.009","32.854","0.009","90","","90","","90","","23182","11","223","2","223","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H59 Cl4 K N24 O19 Rb2 -","- C40 H44 Cl4 K N24 O19 Rb2 -","- C640 H704 Cl64 K16 N384 O304 Rb32 -","16","0.5","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.1896","0.096","","","0.2788","0.3195","","","","","","1.021","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325746","13.0365","0.0018","16.629","0.002","13.4697","0.0018","90","","100.572","0.002","90","","2870.4","0.7","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H66 Cl Cs N24 O23 -","- C40 H44 Cl Cs N24 O14 -","- C80 H88 Cl2 Cs2 N48 O28 -","2","1","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.0445","0.0402","","","0.1019","0.1044","","","","","","1.052","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325747","10.454","0.0017","12.914","0.002","15.172","0.002","65.459","0.002","73.521","0.002","73.497","0.002","1753.9","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H89 Ca2 Cl5 N24 O34 -","- C40 H68 Ca2 Cl5 N24 O24 -","- C40 H68 Ca2 Cl5 N24 O24 -","1","0.5","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.0536","0.0444","","","0.1172","0.1228","","","","","","1.099","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325748","10.6622","0.0006","13.18","0.0008","26.732","0.0016","87.093","0.002","80.497","0.002","73.618","0.002","3554.6","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H160 Br4 Cl2 N50 O66 Sr4 -","- C80 H88 Br4.002 Cl2 N50 O51 Sr4 -","- C80 H88 Br4.002 Cl2 N50 O51 Sr4 -","1","0.5","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.0879","0.062","","","0.1763","0.1905","","","","","","1.11","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325749","23.055","0.006","10.464","0.002","16.667","0.004","90","","117.976","0.002","90","","3551","1.4","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H72 Ba2 Cl4 N24 O26 -","- C40 H44 Ba2 Cl3.994 N24 O18 -","- C80 H88 Ba4 Cl7.988 N48 O36 -","2","0.25","","Wen-Jian Chen; Da-Hai Yu; Xin Xiao; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao; Gang Wei","Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α',δ,δ'-Tetramethylcucurbit[6]uril","Inorganic Chemistry","2011","50","","6956","6964","10.1021/ic200109s","","","0.71073","MoKα","","0.0364","0.0333","","","0.0927","0.0944","","","","","","1.118","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325750","11.868","0.0006","16.1506","0.0008","28.9425","0.0018","80.757","0.004","87.066","0.004","80.195","0.004","5393.9","0.5","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C162 H149 Fe4 In20 N29 O8 S38 -","- C103 H56 Fe4 In20 N24 S38 -","- C103 H56 Fe4 In20 N24 S38 -","1","1","","Xu Zhang; Wen Luo; Ya-Ping Zhang; Jian-Bing Jiang; Qin-Yu Zhu; Jie Dai","Indium-Sulfur Supertetrahedral Polymers Integrated with [M(phen)3]2+ Cations (M = Ni and Fe)","Inorganic Chemistry","2011","50","","6972","6978","10.1021/ic200157v","","","0.71075","MoKα","","0.0861","0.0694","","","0.1422","0.151","","","","","","0.917","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325751","39.53","0.04","17.169","0.016","35.34","0.02","90","","108.405","0.016","90","","22758","3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C216 H152 In20 N36 Ni4 O4 S37 -","- C168 H112 In20 N28 Ni4 S37 -","- C672 H448 In80 N112 Ni16 S148 -","4","0.5","","Xu Zhang; Wen Luo; Ya-Ping Zhang; Jian-Bing Jiang; Qin-Yu Zhu; Jie Dai","Indium-Sulfur Supertetrahedral Polymers Integrated with [M(phen)3]2+ Cations (M = Ni and Fe)","Inorganic Chemistry","2011","50","","6972","6978","10.1021/ic200157v","","","0.71075","MoKα","","0.1434","0.0758","","","0.1274","0.1554","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325752","39.346","0.003","17.2158","0.0009","35.118","0.002","90","","108.28","0.002","90","","22588","2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C216 H152 Fe4 In20 N36 O4 S37 -","- C168 H112 Fe4 In20 N28 S37 -","- C672 H448 Fe16 In80 N112 S148 -","4","0.5","","Xu Zhang; Wen Luo; Ya-Ping Zhang; Jian-Bing Jiang; Qin-Yu Zhu; Jie Dai","Indium-Sulfur Supertetrahedral Polymers Integrated with [M(phen)3]2+ Cations (M = Ni and Fe)","Inorganic Chemistry","2011","50","","6972","6978","10.1021/ic200157v","","","0.71075","MoKα","","0.1186","0.0745","","","0.1178","0.1347","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325753","29.9641","0.0016","18.4435","0.0008","41.506","0.002","90","","108.306","0.001","90","","21777.2","1.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C172 H140 In20 N30 Ni4 O3 S38 -","- C144 H96 In20 N24 Ni4 S38 -","- C576 H384 In80 N96 Ni16 S152 -","4","0.5","","Xu Zhang; Wen Luo; Ya-Ping Zhang; Jian-Bing Jiang; Qin-Yu Zhu; Jie Dai","Indium-Sulfur Supertetrahedral Polymers Integrated with [M(phen)3]2+ Cations (M = Ni and Fe)","Inorganic Chemistry","2011","50","","6972","6978","10.1021/ic200157v","","","0.71075","MoKα","","0.1057","0.0684","","","0.1061","0.1235","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325754","28.7051","0.0008","25.1709","0.0008","35.0928","0.0013","90","","110.095","0.003","90","","23812.2","1.4","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H189 As5 Gd4 Li8 N18 O183 W40 -","- C52 As5 Gd4 Li8 N18 O183 W40 -","- C208 As20 Gd16 Li32 N72 O732 W160 -","4","0.5","","Chris Ritchie; Manfred Speldrich; Robert W. Gable; Lorenzo Sorace; Paul Kögerler; Colette Boskovic","Utilizing the Adaptive Polyoxometalate [As2W19O67(H2O)]14- To Support a Polynuclear Lanthanoid-Based Single-Molecule Magnet","Inorganic Chemistry","2011","50","","7004","7014","10.1021/ic200366a","","","1.54184","CuKα","","0.0928","0.0718","","","0.1814","0.1901","","","","","","0.956","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325755","28.844","0.004","25.297","0.007","34.91","0.006","90","","110.042","0.015","90","","23930","9","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H189 As5 Li8 N18 O183 Tb4 W40 -","- C52 As5 Li6 N18 O179.96 Tb4 W40 -","- C208 As20 Li24 N72 O719.84 Tb16 W160 -","4","0.5","","Chris Ritchie; Manfred Speldrich; Robert W. Gable; Lorenzo Sorace; Paul Kögerler; Colette Boskovic","Utilizing the Adaptive Polyoxometalate [As2W19O67(H2O)]14- To Support a Polynuclear Lanthanoid-Based Single-Molecule Magnet","Inorganic Chemistry","2011","50","","7004","7014","10.1021/ic200366a","","","1.54184","CuKα","","0.0775","0.0607","","","0.169","0.1756","","","","","","1.147","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325756","28.7245","0.0007","25.1124","0.0005","35.1823","0.001","90","","110.349","0.003","90","","23794.6","1.1","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H189 As5 Dy4 Li8 N18 O183 W40 -","- C52 As5 Dy4 Li8 N18 O183 W40 -","- C208 As20 Dy16 Li32 N72 O732 W160 -","4","0.5","","Chris Ritchie; Manfred Speldrich; Robert W. Gable; Lorenzo Sorace; Paul Kögerler; Colette Boskovic","Utilizing the Adaptive Polyoxometalate [As2W19O67(H2O)]14- To Support a Polynuclear Lanthanoid-Based Single-Molecule Magnet","Inorganic Chemistry","2011","50","","7004","7014","10.1021/ic200366a","","","1.54184","CuKα","","0.0673","0.0425","","","0.1075","0.1138","","","","","","0.99","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325757","28.739","0.004","25.206","0.004","34.893","0.005","90","","110.184","0.003","90","","23724","6","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H189 As5 Ho4 Li8 N18 O183 W40 -","- C52 As5 Ho4 Li8 N18 O183 W40 -","- C208 As20 Ho16 Li32 N72 O732 W160 -","4","0.5","","Chris Ritchie; Manfred Speldrich; Robert W. Gable; Lorenzo Sorace; Paul Kögerler; Colette Boskovic","Utilizing the Adaptive Polyoxometalate [As2W19O67(H2O)]14- To Support a Polynuclear Lanthanoid-Based Single-Molecule Magnet","Inorganic Chemistry","2011","50","","7004","7014","10.1021/ic200366a","","","0.71073","MoKα","","0.1315","0.07","","","0.1553","0.1801","","","","","","0.978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325758","28.6009","0.0011","25.2575","0.0006","35.404","0.0013","90","","109.599","0.005","90","","24093.6","1.6","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H189 As5 Li8 N18 O183 W40 Y4 -","- C52 As5 Li6 N18 O179.98 W40 Y4 -","- C208 As20 Li24 N72 O719.92 W160 Y16 -","4","0.5","","Chris Ritchie; Manfred Speldrich; Robert W. Gable; Lorenzo Sorace; Paul Kögerler; Colette Boskovic","Utilizing the Adaptive Polyoxometalate [As2W19O67(H2O)]14- To Support a Polynuclear Lanthanoid-Based Single-Molecule Magnet","Inorganic Chemistry","2011","50","","7004","7014","10.1021/ic200366a","","","1.54184","CuKα","","0.0967","0.064","","","0.1615","0.1743","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325759","23.54","0.003","20.047","0.003","12.6391","0.0016","90","","116.672","0.002","90","","5329.8","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 Mn N2 O6 -","- C56 H76 Mn N2 O6 -","- C224 H304 Mn4 N8 O24 -","4","0.5","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1045","0.0435","","","0.0628","0.0727","","","","","","0.74","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325760","20.545","0.003","19.772","0.003","13.059","0.002","90","","90.029","0.003","90","","5304.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 Fe N2 O6 -","- C56 H76 Fe N2 O6 -","- C224 H304 Fe4 N8 O24 -","4","1","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1966","0.0714","","","0.1195","0.1669","","","","","","0.973","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325761","20.5128","0.0016","18.4721","0.0015","20.9387","0.0018","90","","90","","90","","7934","1.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H112 Co N2 O6 -","- C92 H112 Co N2 O6 -","- C368 H448 Co4 N8 O24 -","4","0.5","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1092","0.05","","","0.1134","0.1513","","","","","","1.055","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325762","21.056","0.004","18.298","0.003","20.642","0.004","90","","90","","90","","7953","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H112 N2 Ni O6 -","- C92 H112 N2 Ni O6 -","- C368 H448 N8 Ni4 O24 -","4","0.5","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1482","0.0622","","","0.127","0.1651","","","","","","0.983","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325763","20.558","0.01","18.436","0.009","20.851","0.008","90","","90","","90","","7903","6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H112 Cu N2 O6 -","- C92 H112 Cu N2 O6 -","- C368 H448 Cu4 N8 O24 -","4","0.5","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1025","0.0449","","","0.0567","0.0617","","","","","","0.98","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325764","20.5359","0.0015","18.5434","0.0014","21.0061","0.0015","90","","90","","90","","7999.2","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H112 N2 O6 Zn -","- C92 H112 N2 O6 Zn -","- C368 H448 N8 O24 Zn4 -","4","0.5","","Eugeny P. Ivakhnenko; Andrey G. Starikov; Vladimir I. Minkin; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Vladimir I. Simakov; Mikhail S. Korobov; Gennady S. Borodkin; Pavel A. Knyazev","Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands","Inorganic Chemistry","2011","50","","7022","7032","10.1021/ic2004062","","","0.71073","MoKα","","0.1029","0.0392","","","0.0601","0.0687","","","","","","0.791","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325765","13.589","0.0016","13.589","0.0016","13.589","0.0016","90","","90","","90","","2509.4","0.5","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Au1.167 Cd2.667 Na -","- Au1.16667 Cd2.66667 Na -","- Au28 Cd64 Na24 -","24","0.125","","Saroj L. Samal; John D. Corbett","Relativistic Effects and Gold Site Distributions: Synthesis, Structure, and Bonding in a Polar Intermetallic Na6Cd16Au7","Inorganic Chemistry","2011","50","","7033","7039","10.1021/ic200501h","","","0.71073","MoKα","","0.0187","0.0187","","","0.0418","0.0418","","","","","","0.866","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325766","30.953","0.003","20.226","0.0019","14.1304","0.0015","90","","107.243","0.011","90","","8448.8","1.5","150","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 N2 O12 Ru2 -","- C40 H30 N2 O12 Ru2 -","- C320 H240 N16 O96 Ru16 -","8","1","","Amit Das; Thomas Scherer; Somnath Maji; Tapan Kumar Mondal; Shaikh M. Mobin; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri","Reductive Approach to Mixed Valency (n= 1-) in the Pyrazine Ligand-Bridged [(acac)2Ru(μ-L2-)Ru(acac)2]n (L2- = 2,5-Pyrazine-dicarboxylate) through Experiment and Theory","Inorganic Chemistry","2011","50","","7040","7049","10.1021/ic200530u","","","0.71073","MoKα","","0.1186","0.0609","","","0.149","0.1628","","","","","","0.93","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325767","27.1629","0.0017","15.3001","0.0011","20.3369","0.0011","90","","99.448","0.001","90","","8337.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H92 N4 O22 Sm4 -","- C70 H84 N4 O22 Sm4 -","- C280 H336 N16 O88 Sm16 -","4","0.5","","Peng-Fei Yan; Po-Heng Lin; Fatemah Habib; Tomoko Aharen; Muralee Murugesu; Zhao-Peng Deng; Guang-Ming Li; Wen-Bin Sun","Planar Tetranuclear Dy(III) Single-Molecule Magnet and Its Sm(III), Gd(III), and Tb(III) Analogues Encapsulated by Salen-Type and β-Diketonate Ligands","Inorganic Chemistry","2011","50","","7059","7065","10.1021/ic200566y","","","0.71073","MoKα","","0.114","0.0646","","","0.2069","0.2441","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325768","11.8151","0.0008","14.4643","0.001","14.7798","0.001","106.382","0.001","110.8","0.001","103.296","0.001","2106.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H96 Gd4 N8 O18 -","- C78 H96 Gd4 N8 O18 -","- C78 H96 Gd4 N8 O18 -","1","0.5","","Peng-Fei Yan; Po-Heng Lin; Fatemah Habib; Tomoko Aharen; Muralee Murugesu; Zhao-Peng Deng; Guang-Ming Li; Wen-Bin Sun","Planar Tetranuclear Dy(III) Single-Molecule Magnet and Its Sm(III), Gd(III), and Tb(III) Analogues Encapsulated by Salen-Type and β-Diketonate Ligands","Inorganic Chemistry","2011","50","","7059","7065","10.1021/ic200566y","","","0.71073","MoKα","","0.0946","0.0426","","","0.0799","0.0956","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325769","13.583","0.0018","14.1528","0.0019","16.344","0.002","80.304","0.002","71.039","0.002","74.676","0.002","2854","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H138 N10 O22 Tb4 -","- C114 H138 N10 O22 Tb4 -","- C114 H138 N10 O22 Tb4 -","1","0.5","","Peng-Fei Yan; Po-Heng Lin; Fatemah Habib; Tomoko Aharen; Muralee Murugesu; Zhao-Peng Deng; Guang-Ming Li; Wen-Bin Sun","Planar Tetranuclear Dy(III) Single-Molecule Magnet and Its Sm(III), Gd(III), and Tb(III) Analogues Encapsulated by Salen-Type and β-Diketonate Ligands","Inorganic Chemistry","2011","50","","7059","7065","10.1021/ic200566y","","","0.71073","MoKα","","0.0836","0.0465","","","0.1058","0.1268","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325770","13.5657","0.0014","14.1614","0.0015","16.3381","0.0017","80.361","0.001","70.877","0.001","74.704","0.001","2849.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H138 Dy4 N10 O22 -","- C114 H138 Dy4 N10 O22 -","- C114 H138 Dy4 N10 O22 -","1","0.5","","Peng-Fei Yan; Po-Heng Lin; Fatemah Habib; Tomoko Aharen; Muralee Murugesu; Zhao-Peng Deng; Guang-Ming Li; Wen-Bin Sun","Planar Tetranuclear Dy(III) Single-Molecule Magnet and Its Sm(III), Gd(III), and Tb(III) Analogues Encapsulated by Salen-Type and β-Diketonate Ligands","Inorganic Chemistry","2011","50","","7059","7065","10.1021/ic200566y","","","0.71073","MoKα","","0.0508","0.0319","","","0.0733","0.0846","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325771","12.0254","0.0014","15.2317","0.0013","20.5384","0.0019","90","","90","","90","","3762","0.6","150","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H43 N7 O Os -","- C42 H43 N7 O Os -","- C168 H172 N28 O4 Os4 -","4","1","","Dipanwita Das; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal","Inorganic Chemistry","2011","50","","7090","7098","10.1021/ic200615s","","","0.71073","MoKα","","0.0458","0.0313","","","0.0442","0.0457","","","","","","0.787","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325772","12.5063","0.0013","15.3816","0.0014","20.364","0.002","90","","90","","90","","3917.4","0.7","150","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 Cl2 N7 O Os -","- C42 H41 Cl2 N7 O Os -","- C168 H164 Cl8 N28 O4 Os4 -","4","1","","Dipanwita Das; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal","Inorganic Chemistry","2011","50","","7090","7098","10.1021/ic200615s","","","0.71073","MoKα","","0.0699","0.038","","","0.043","0.0466","","","","","","0.608","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325773","15.089","0.007","11.707","0.007","22.652","0.01","90","","93.94","0.04","90","","3992","4","150","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H47 N7 O3 Os -","- C44 H47 N7 O3 Os -","- C176 H188 N28 O12 Os4 -","4","1","","Dipanwita Das; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal","Inorganic Chemistry","2011","50","","7090","7098","10.1021/ic200615s","","","0.71073","MoKα","","0.085","0.0452","","","0.0862","0.0913","","","","","","0.91","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325774","24.1605","0.0016","13.236","0.0011","30.241","0.002","90","","110.005","0.008","90","","9087.2","1.2","150","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H59 N7 O Os -","- C50 H59 N7 O Os -","- C400 H472 N56 O8 Os8 -","8","1","","Dipanwita Das; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal","Inorganic Chemistry","2011","50","","7090","7098","10.1021/ic200615s","","","0.71073","MoKα","","0.0327","0.0227","","","0.0493","0.0505","","","","","","0.927","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325775","12.6086","0.0003","13.6633","0.0003","14.9412","0.0004","76.683","0.002","78.805","0.002","67.856","0.002","2303.52","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H47 Cl2 N7 O11 Os -","- C44 H47 Cl2 N7 O11 Os -","- C88 H94 Cl4 N14 O22 Os2 -","2","1","","Dipanwita Das; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal","Inorganic Chemistry","2011","50","","7090","7098","10.1021/ic200615s","","","0.71073","MoKα","","0.0857","0.0508","","","0.1091","0.1144","","","","","","0.971","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325776","11.9102","0.0006","16.7887","0.0009","22.286","0.002","108.47","0.004","100.012","0.004","97.854","0.004","4073.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H32 Cl2 Mo S6 -","- C42.9999 H31.9998 Cl1.9998 Mo S6 -","- C172 H127.999 Cl7.9992 Mo4 S24 -","4","2","","Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt","Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study","Inorganic Chemistry","2011","50","","7106","7122","10.1021/ic2006265","","","0.71073","MoKα","","0.0368","0.0329","","","0.0823","0.0854","","","","","","1.029","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325777","14.101","0.002","30.901","0.004","14.709","0.002","90","","116.543","0.002","90","","5733.7","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H52 Cl2 Mo P S6 -","- C67 H52 Cl2 Mo P S6 -","- C268 H208 Cl8 Mo4 P4 S24 -","4","1","","Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt","Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study","Inorganic Chemistry","2011","50","","7106","7122","10.1021/ic2006265","","","0.71073","MoKα","","0.0528","0.0404","","","0.0971","0.1048","","","","","","1.077","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325778","19.846","0.003","15.115","0.003","18.293","0.003","90","","90","","90","","5487.4","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 Mo N6 P2 S6 -","- C60 H40 Mo N6 P2 S6 -","- C240 H160 Mo4 N24 P8 S24 -","4","0.5","","Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt","Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study","Inorganic Chemistry","2011","50","","7106","7122","10.1021/ic2006265","","","0.71073","MoKα","","0.0602","0.0325","","","0.0688","0.0904","","","","","","1.197","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325779","11.8989","0.0004","16.7354","0.0006","22.2817","0.0008","108.389","0.004","100.009","0.003","97.998","0.003","4056.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H32 Cl2 S6 W -","- C43 H32 Cl2 S6 W -","- C172 H128 Cl8 S24 W4 -","4","2","","Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt","Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study","Inorganic Chemistry","2011","50","","7106","7122","10.1021/ic2006265","","","0.71073","MoKα","","0.0414","0.031","","","0.073","0.0782","","","","","","1.031","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325780","14.1851","0.0006","31.0048","0.0012","14.811","0.0006","90","","116.597","0.003","90","","5824.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H52 Cl2 P S6 W -","- C67 H52 Cl2 P S6 W -","- C268 H208 Cl8 P4 S24 W4 -","4","1","","Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt","Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study","Inorganic Chemistry","2011","50","","7106","7122","10.1021/ic2006265","","","0.71073","MoKα","","0.0472","0.0439","","","0.1039","0.106","","","","","","1.062","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325781","19.908","0.0003","15.1931","0.0003","18.3256","0.0003","90","","90","","90","","5542.84","0.16","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 N6 P2 S6 W -","- C60 H40 N6 P2 S6 W -","- C240 H160 N24 P8 S24 W4 -","4","0.5","","Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt","Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study","Inorganic Chemistry","2011","50","","7106","7122","10.1021/ic2006265","","","0.71073","MoKα","","0.0464","0.0297","","","0.0644","0.0715","","","","","","1.019","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325782","15.805","0.002","12.4941","0.0014","18.5463","0.0017","90","","104.492","0.009","90","","3545.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 N2 S6 W -","- C28 H58 N2 S6 W -","- C112 H232 N8 S24 W4 -","4","1","","Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt","Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study","Inorganic Chemistry","2011","50","","7106","7122","10.1021/ic2006265","","","0.71073","MoKα","","0.0337","0.0265","","","0.0552","0.0575","","","","","","1.033","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325783","10.858","0.002","18.726","0.004","20.548","0.004","97.57","0.03","102.43","0.03","90.03","0.03","4042.7","1.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C129 H109 Cl39 F0 N20 O20 P0 Ru2 -","- C129 H109 Cl39 N20 O20 Ru2 -","- C129 H109 Cl39 N20 O20 Ru2 -","1","0.5","","Chang-Jiang Yao; Jiannian Yao; Yu-Wu Zhong","Electronic Communication between Two Amine Redox Centers Bridged by a Bis(terpyridine)ruthenium(II) Complex","Inorganic Chemistry","2011","50","","6847","6849","10.1021/ic200701j","","","0.71073","MoKα","","0.1329","0.1242","","","0.3267","0.338","","","","","","1.113","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325784","29.81","0.004","9.1745","0.0012","8.3049","0.0011","90","","105.891","0.002","90","","2184.5","0.5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu2 N4 O13 -","- C16 H16 Cu2 N4 O13 -","- C64 H64 Cu8 N16 O52 -","4","0.5","","Miao Du; Zhi-Hui Zhang; Cheng-Peng Li; Jordi Ribas-Ariño; Núria Aliaga-Alcalde; Joan Ribas","A 3D CuII Coordination Framework with μ4-/μ2-Oxalato Anions and a Bent Dipyridyl Coligand: Unique Zeolite-Type NiP2 Topological Network and Magnetic Properties","Inorganic Chemistry","2011","50","","6850","6852","10.1021/ic200711e","","","0.71073","MoKα","","0.0449","0.0363","","","0.0973","0.1023","","","","","","1.046","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325785","9.3558","0.0006","12.8995","0.0008","18.9172","0.0012","108.111","0.001","98.212","0.001","94.28","0.001","2130.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74 Co3 N6 O32 S6 -","- C76 H74 Co3 N6 O32 S6 -","- C76 H74 Co3 N6 O32 S6 -","1","0.5","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che","Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands","Inorganic Chemistry","2011","50","","7142","7149","10.1021/ic2007292","","","0.71073","MoKα","","0.0535","0.044","","","0.1248","0.1317","","","","","","1.074","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325786","16.7182","0.0009","19.8442","0.001","21.4127","0.0012","66.305","0.001","82.873","0.001","84.388","0.001","6445.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C224 H214 Co9 N14 O94 S18 -","- C224 H214 Co9 N14 O94 S18 -","- C224 H214 Co9 N14 O94 S18 -","1","0.5","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che","Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands","Inorganic Chemistry","2011","50","","7142","7149","10.1021/ic2007292","","","0.71073","MoKα","","0.1064","0.0723","","","0.201","0.2191","","","","","","1.154","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325787","9.0481","0.0005","13.1372","0.0005","17.893","0.0006","106.486","0.003","94.182","0.004","95.349","0.004","2019.53","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H58 Co3 N6 O28 S6 -","- C72 H58 Co3 N6 O28 S6 -","- C72 H58 Co3 N6 O28 S6 -","1","0.5","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che","Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands","Inorganic Chemistry","2011","50","","7142","7149","10.1021/ic2007292","","","0.71073","MoKα","","0.1168","0.0561","","","0.1319","0.1466","","","","","","0.971","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325788","8.8455","0.0011","13.1562","0.0015","17.782","0.002","106.693","0.002","92.299","0.003","96.113","0.002","1965.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H58 Co3 N6 O28 S6 -","- C72 H58 Co3 N6 O28 S6 -","- C72 H58 Co3 N6 O28 S6 -","1","0.5","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che","Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands","Inorganic Chemistry","2011","50","","7142","7149","10.1021/ic2007292","","","0.71073","MoKα","","0.0743","0.0482","","","0.1259","0.1422","","","","","","1.03","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325789","9.4298","0.0006","13.289","0.0007","16.2769","0.0009","101.468","0.005","99.225","0.005","91.184","0.005","1970.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Co3 N2 O30 S6 -","- C64 H50 Co3 N2 O30 S6 -","- C64 H50 Co3 N2 O30 S6 -","1","0.5","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che","Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands","Inorganic Chemistry","2011","50","","7142","7149","10.1021/ic2007292","","","0.71073","MoKα","","0.1253","0.0719","","","0.1834","0.2007","","","","","","0.973","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325790","9.4229","0.0003","12.9741","0.0004","18.948","0.0004","108.394","0.002","97.883","0.002","94.488","0.002","2159.06","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74 Co3 N6 O32 S6 -","- C76 H74 Co3 N6 O32 S6 -","- C76 H74 Co3 N6 O32 S6 -","1","0.5","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che","Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands","Inorganic Chemistry","2011","50","","7142","7149","10.1021/ic2007292","","","0.71073","MoKα","","0.113","0.0578","","","0.1603","0.1889","","","","","","1.039","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325791","9.462","0.004","13.147","0.005","18.767","0.007","108.362","0.006","98.32","0.007","93.059","0.007","2180.2","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H64 Co3 N4 O30 S6 -","- C72 H64 Co3 N4 O30 S6 -","- C72 H64 Co3 N4 O30 S6 -","1","0.5","","Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che","Semirigid Aromatic Sulfone-Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands","Inorganic Chemistry","2011","50","","7142","7149","10.1021/ic2007292","","","0.71073","MoKα","","0.2191","0.1017","","","0.259","0.2953","","","","","","0.88","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325792","18.639","0.003","15.233","0.002","7.9877","0.0011","90","","90","","90","","2267.9","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H21 Cl4 N4 O2 Re -","- C17 H21 Cl4 N4 O2 Re -","- C68 H84 Cl16 N16 O8 Re4 -","4","1","","Katrin R. Grünwald; Gerald Saischek; Manuel Volpe; Nadia C. Mösch-Zanetti","Mechanistic Insight into Olefin Epoxidation Catalyzed by Rhenium(V) Oxo Complexes That Contain Pyridazine-Based Ligands","Inorganic Chemistry","2011","50","","7162","7171","10.1021/ic200756r","","","0.71073","MoKα","","0.0441","0.0301","","","0.0659","0.0715","","","","","","1.016","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325793","29.2128","0.0015","13.7694","0.0007","14.0722","0.0007","90","","114.23","0.002","90","","5161.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl2 N6 O2 Re -","- C23 H23 Cl2 N6 O2 Re -","- C184 H184 Cl16 N48 O16 Re8 -","8","1","","Katrin R. Grünwald; Gerald Saischek; Manuel Volpe; Nadia C. Mösch-Zanetti","Mechanistic Insight into Olefin Epoxidation Catalyzed by Rhenium(V) Oxo Complexes That Contain Pyridazine-Based Ligands","Inorganic Chemistry","2011","50","","7162","7171","10.1021/ic200756r","","","0.71073","MoKα","","0.0283","0.0206","","","0.0488","0.0532","","","","","","1.06","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325794","9.3869","0.0009","18.1191","0.0017","21.187","0.002","90","","90","","90","","3603.5","0.6","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","eismc09","","","- C11 H10 N2 -","- C11 H10 N2 -","- C176 H160 N32 -","16","2","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.0808","0.0502","","","0.1293","0.1499","","","","","","1.042","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325795","10.0778","0.0009","11.0014","0.001","19.3258","0.0018","103.585","0.002","91.243","0.002","103.576","0.002","2017.8","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","eismc13","","","- C48 H41 Cl2 Cu N2 P2 -","- C48 H41 Cl2 Cu N2 P2 -","- C96 H82 Cl4 Cu2 N4 P4 -","2","1","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.1058","0.0563","","","0.1188","0.1407","","","","","","1.011","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325796","16.631","0.003","26.069","0.004","17.111","0.003","90","","115.337","0.003","90","","6705","2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","eismc08","","","- C41 H34 Cu N2 O0.5 P2 -","- C41 H34 Cu N2 O0.5 P2 -","- C328 H272 Cu8 N16 O4 P16 -","8","2","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.1061","0.0541","","","0.1273","0.1479","","","","","","1.052","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325797","10.2293","0.001","16.583","0.0016","25.942","0.003","91.109","0.002","94.51","0.002","96.686","0.002","4355.3","0.8","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","eismc07","","","- C48 H39 Cl2 Cu N2 O P2 -","- C48 H39 Cl2 Cu N2 O P2 -","- C192 H156 Cl8 Cu4 N8 O4 P8 -","4","2","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.1026","0.0613","","","0.151","0.1654","","","","","","1.021","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325798","9.6574","0.0012","14.2582","0.0018","14.5937","0.0019","88.946","0.002","74.641","0.002","71.779","0.002","1836","0.4","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","eismc11","","","- C42 H34 Cl2 Cu N O2 P2 -","- C42 H34 Cl2 Cu N O2 P2 -","- C84 H68 Cl4 Cu2 N2 O4 P4 -","2","1","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.0543","0.039","","","0.0975","0.105","","","","","","1.041","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325799","26.407","0.002","26.407","0.002","11.9662","0.0011","90","","90","","90","","8344.4","1.2","100","0.1","100","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","eismc10","","","- C44 H36 Cu N O2 P2 -","- C44 H36 Cu N O2 P2 -","- C352 H288 Cu8 N8 O16 P16 -","8","1","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.0895","0.0552","","","0.1523","0.166","","","","","","1.064","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325800","9.4826","0.0014","27.44","0.004","16.305","0.003","90","","100.859","0.003","90","","4166.6","1.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","eismc14","","","- C47 H38 Cl4 Cu N O2 P2 -","- C47 H38 Cl4 Cu N O2 P2 -","- C188 H152 Cl16 Cu4 N4 O8 P8 -","4","1","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.1536","0.0791","","","0.2077","0.2553","","","","","","1.015","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325801","9.5399","0.0007","10.8501","0.0008","19.801","0.0015","96.277","0.001","94.581","0.001","99.023","0.001","2002.2","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","eismc17","","","- C51 H39 Cu N2 O P2 -","- C51 H39 Cu N2 O P2 -","- C102 H78 Cu2 N4 O2 P4 -","2","1","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.067","0.0446","","","0.1095","0.1209","","","","","","1.025","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325802","19.2028","0.0018","14.7504","0.0014","27.131","0.003","90","","99.612","0.002","90","","7576.9","1.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","eismc15","","","- C81 H70 Cl9 Cu3 O2 P4 -","- C81 H70 Cl9 Cu3 O2 P4 -","- C324 H280 Cl36 Cu12 O8 P16 -","4","0.5","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.1267","0.0571","","","0.1103","0.1327","","","","","","1.015","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325803","38.225","0.008","38.225","0.008","16.718","0.004","90","","90","","120","","21155","8","113","2","113","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H66 Ru3 S6 -","- C44 H58 Ru3 S6 -","- C792 H1044 Ru54 S108 -","18","1","","Tetsuya Kambe; Satoru Tsukada; Ryota Sakamoto; Hiroshi Nishihara","Expanding Family of π-Conjugated Trinuclear Dithiolenes: The Cases of Group 8 (RuII) and 10 (NiII and PtII) Metals","Inorganic Chemistry","2011","50","","6856","6858","10.1021/ic200766p","","","0.7107","MoKα","","","0.1351","","","","0.2568","","","","","","1.22","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325804","17.093","0.003","17.549","0.004","18.628","0.004","112.112","0.002","107.829","0.002","90.383","0.002","4880.8","1.8","113","2","113","","","","","","","","","7","P -1","-P 1","2","","","","- C100 H96 Cl0 N8 Ni3 P6 S6 -","- C100 H72 N8 Ni3 P6 S6 -","- C200 H144 N16 Ni6 P12 S12 -","2","1","","Tetsuya Kambe; Satoru Tsukada; Ryota Sakamoto; Hiroshi Nishihara","Expanding Family of π-Conjugated Trinuclear Dithiolenes: The Cases of Group 8 (RuII) and 10 (NiII and PtII) Metals","Inorganic Chemistry","2011","50","","6856","6858","10.1021/ic200766p","","","0.7107","MoKα","","","0.0572","","","","0.1626","","","","","","1.049","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325805","21.7626","0.001","38.8459","0.0018","20.8292","0.0009","90","","117.228","0.001","90","","15657.6","1.2","133","2","133","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C68.5 H91 Cl3 F3 I3 N6 O3 Pd3 S Tl -","- C68.5 H91 Cl3 F3 I3 N6 O3 Pd3 S Tl -","- C548 H728 Cl24 F24 I24 N48 O24 Pd24 S8 Tl8 -","8","2","","José Vicente; Rashmi V. Shenoy; Eloísa Martínez-Viviente; Peter G. Jones","Synthesis of Pd3Tl and Pd6Tl2 Complexes Based on a Trinuclear Aryl-Palladium(II) Complex Acting as a Metallaligand Toward Thallium(I) Through Tl-Arene and Tl-I Bonds","Inorganic Chemistry","2011","50","","7189","7194","10.1021/ic2007793","","","0.71073","MoKα","","0.1188","0.049","","","0.1005","0.1264","","","","","","1.014","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325806","22.5064","0.0004","12.0857","0.0002","22.0979","0.0005","90","","109.857","0.003","90","","5653.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H74 I2 N4 Pd2 -","- C59 H74 I2 N4 Pd2 -","- C236 H296 I8 N16 Pd8 -","4","1","","José Vicente; Rashmi V. Shenoy; Eloísa Martínez-Viviente; Peter G. Jones","Synthesis of Pd3Tl and Pd6Tl2 Complexes Based on a Trinuclear Aryl-Palladium(II) Complex Acting as a Metallaligand Toward Thallium(I) Through Tl-Arene and Tl-I Bonds","Inorganic Chemistry","2011","50","","7189","7194","10.1021/ic2007793","","","0.71073","MoKα","","0.0501","0.0371","","","0.0808","0.0869","","","","","","1.079","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325807","24.412","0.007","11.263","0.002","19.406","0.005","90","","127.749","0.005","90","","4219","1.8","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H24 As2 N6 Ni Se10 -","- C36 H24 As2 N6 Ni Se10 -","- C144 H96 As8 N24 Ni4 Se40 -","4","1","","Dingxian Jia; Jing Zhao; Yingli Pan; Weiwei Tang; Bing Wu; Yong Zhang","Solvothermal Synthesis and Characterization of Polyselenidoarsenate Salts of Transition Metal Complex Cations","Inorganic Chemistry","2011","50","","7195","7201","10.1021/ic2007809","","","0.71073","MoKα","","0.0653","0.0406","","","0.1058","0.1269","","","","","","1.118","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325808","13.1258","0.0007","13.1882","0.0007","13.6521","0.0006","117.09","0.013","99.308","0.015","105.732","0.018","1909.7","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 As2 Fe N6 Se6 -","- C36 H24 As2 Fe N6 Se6 -","- C72 H48 As4 Fe2 N12 Se12 -","2","1","","Dingxian Jia; Jing Zhao; Yingli Pan; Weiwei Tang; Bing Wu; Yong Zhang","Solvothermal Synthesis and Characterization of Polyselenidoarsenate Salts of Transition Metal Complex Cations","Inorganic Chemistry","2011","50","","7195","7201","10.1021/ic2007809","","","0.71073","MoKα","","0.0681","0.043","","","0.0878","0.1025","","","","","","1.11","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325809","11.857","0.002","13.738","0.003","15.815","0.003","78.836","0.009","69.16","0.008","65.066","0.008","2180.3","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 As2 N9 Se6 Zn -","- C40 H37 As2 N9 Se6 Zn -","- C80 H74 As4 N18 Se12 Zn2 -","2","1","","Dingxian Jia; Jing Zhao; Yingli Pan; Weiwei Tang; Bing Wu; Yong Zhang","Solvothermal Synthesis and Characterization of Polyselenidoarsenate Salts of Transition Metal Complex Cations","Inorganic Chemistry","2011","50","","7195","7201","10.1021/ic2007809","","","0.71073","MoKα","","0.0448","0.0318","","","0.065","0.0671","","","","","","0.985","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325810","11.394","0.004","12.975","0.004","17.797","0.006","80.302","0.012","89.54","0.011","74.714","0.009","2499.9","1.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H66 As4 Mn4 N16 O Se14 -","- C96 H66 As4 Mn4 N16 O Se14 -","- C96 H66 As4 Mn4 N16 O Se14 -","1","0.5","","Dingxian Jia; Jing Zhao; Yingli Pan; Weiwei Tang; Bing Wu; Yong Zhang","Solvothermal Synthesis and Characterization of Polyselenidoarsenate Salts of Transition Metal Complex Cations","Inorganic Chemistry","2011","50","","7195","7201","10.1021/ic2007809","","","0.71073","MoKα","","0.068","0.0425","","","0.0901","0.1171","","","","","","1.013","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325811","8.7407","0.001","9.6694","0.0011","11.8888","0.0014","92.662","0.002","104.056","0.002","110.779","0.002","901.53","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 Fe2 N4 Si8 -","- C16 H56 Fe2 N4 Si8 -","- C16 H56 Fe2 N4 Si8 -","1","0.5","","Thomas Deschner; Karl Wilhelm Törnroos; Reiner Anwander","Iron Silylamide-Grafted Periodic Mesoporous Silica","Inorganic Chemistry","2011","50","","7217","7228","10.1021/ic200788f","","","0.71073","MoKα","","0.0531","0.0489","","","0.135","0.1415","","","","","","1.069","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325812","16.977","0.002","11.7625","0.0017","20.708","0.003","90","","92.868","0.003","90","","4130","1","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H66 Cl Fe Li N3 O3 Si6 -","- C24 H66 Cl Fe Li N3 O3 Si6 -","- C96 H264 Cl4 Fe4 Li4 N12 O12 Si24 -","4","1","","Thomas Deschner; Karl Wilhelm Törnroos; Reiner Anwander","Iron Silylamide-Grafted Periodic Mesoporous Silica","Inorganic Chemistry","2011","50","","7217","7228","10.1021/ic200788f","","","0.71073","MoKα","","0.0848","0.0759","","","0.2115","0.2175","","","","","","1.093","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325813","12.0237","0.0004","20.8688","0.0006","29.581","0.0009","90","","90","","90","","7422.5","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H50 N10 Ni2 O6 -","- C32 H50 N10 Ni2 O6 -","- C256 H400 N80 Ni16 O48 -","8","1","","Sujit Sasmal; Susanta Hazra; Parimal Kundu; Supriya Dutta; Gopalan Rajaraman; E. Carolina Sañudo; Sasankasekhar Mohanta","Magnetic Exchange Interactions and Magneto-Structural Correlations in Heterobridged μ-Phenoxo-μ1,1-Azide Dinickel(II) Compounds: A Combined Experimental and Theoretical Exploration","Inorganic Chemistry","2011","50","","7257","7267","10.1021/ic200833y","","","0.71073","MoKα","","0.0555","0.0333","","","0.0942","0.114","","","","","","0.812","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325814","17.7887","0.0011","15.8087","0.001","15.5453","0.001","90","","113.912","0.002","90","","3996.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl N9 Ni2 O12 -","- C32 H38 Cl N9 Ni2 O12 -","- C128 H152 Cl4 N36 Ni8 O48 -","4","1","","Sujit Sasmal; Susanta Hazra; Parimal Kundu; Supriya Dutta; Gopalan Rajaraman; E. Carolina Sañudo; Sasankasekhar Mohanta","Magnetic Exchange Interactions and Magneto-Structural Correlations in Heterobridged μ-Phenoxo-μ1,1-Azide Dinickel(II) Compounds: A Combined Experimental and Theoretical Exploration","Inorganic Chemistry","2011","50","","7257","7267","10.1021/ic200833y","","","0.71073","MoKα","","0.091","0.0456","","","0.1315","0.1615","","","","","","0.987","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325815","11.3998","0.00016","14.7243","0.0002","19.4119","0.0003","92.397","0.0012","98.27","0.0012","91.007","0.0011","3220.75","0.08","100","2","100","2","","","","","","","Enrique Colacio","6","P -1","-P 1","2","","","","- C27 H40 Dy N5 Ni O12 -","- C27 H40 Dy N5 Ni O12 -","- C108 H160 Dy4 N20 Ni4 O48 -","4","2","","Enrique Colacio; José Ruiz-Sanchez; Fraser J. White; Euan K. Brechin","Strategy for the Rational Design of Asymmetric Triply Bridged Dinuclear 3d-4f Single-Molecule Magnets.","Inorganic Chemistry","2011","50","","7268","7273","10.1021/ic2008599","","","0.7107","MoKα","","0.0476","0.035","","","0.077","0.0792","","","","","","1.085","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325816","11.44727","0.00016","14.7621","0.0002","19.3317","0.0003","92.6188","0.0011","98.492","0.0011","90.9853","0.0011","3226.64","0.08","100","2","100","2","","","","","","","Enrique Colacio","6","P -1","-P 1","2","","","","- C27 H40 Dy N5 O12 Zn -","- C27 H40 Dy N5 O12 Zn -","- C108 H160 Dy4 N20 O48 Zn4 -","4","2","","Enrique Colacio; José Ruiz-Sanchez; Fraser J. White; Euan K. Brechin","Strategy for the Rational Design of Asymmetric Triply Bridged Dinuclear 3d-4f Single-Molecule Magnets.","Inorganic Chemistry","2011","50","","7268","7273","10.1021/ic2008599","","","0.7107","MoKα","","0.0293","0.0241","","","0.0592","0.0611","","","","","","1.119","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325817","10.5754","0.0003","21.0771","0.0005","16.4485","0.0004","90","","105.401","0.001","90","","3534.69","0.16","100","2","100","2","","","","","","","Enrique Colacio","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 Dy N6 Ni O15 -","- C27 H45 Dy N6 Ni O15 -","- C108 H180 Dy4 N24 Ni4 O60 -","4","1","","Enrique Colacio; José Ruiz-Sanchez; Fraser J. White; Euan K. Brechin","Strategy for the Rational Design of Asymmetric Triply Bridged Dinuclear 3d-4f Single-Molecule Magnets.","Inorganic Chemistry","2011","50","","7268","7273","10.1021/ic2008599","","","0.71073","MoKα","","0.0325","0.0246","","","0.0526","0.0552","","","","","","1.033","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325818","10.7335","0.0008","14.7471","0.001","16.7834","0.0012","67.921","0.001","78.637","0.001","89.784","0.001","2406.3","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H114 Cl2 N8 Ni8 O30 -","- C86 H114 Cl2 N8 Ni8 O30 -","- C86 H114 Cl2 N8 Ni8 O30 -","1","0.5","","Lian-Qiang Wei; Kun Zhang; Ying-Chun Feng; Yun-Hong Wang; Ming-Hua Zeng; Mohamedally Kurmoo","Microwave versus Traditional Solvothermal Synthesis of Ni7II Discs: Effect of Ligand on Exchange Reaction in Solution Studied by Electrospray Ionization-Mass Spectroscopy and Magnetic Properties","Inorganic Chemistry","2011","50","","7274","7283","10.1021/ic200883b","","","0.71073","MoKα","","0.0585","0.0527","","","0.1659","0.1744","","","","","","1.074","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325819","14.043","0.002","14.043","0.002","9.478","0.0019","90","","90","","120","","1618.7","0.5","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C54 H66 Cl2 N6 Ni7 O26 -","- C54 H66 Cl2 N6 Ni7 O26 -","- C54 H66 Cl2 N6 Ni7 O26 -","1","0.166667","","Lian-Qiang Wei; Kun Zhang; Ying-Chun Feng; Yun-Hong Wang; Ming-Hua Zeng; Mohamedally Kurmoo","Microwave versus Traditional Solvothermal Synthesis of Ni7II Discs: Effect of Ligand on Exchange Reaction in Solution Studied by Electrospray Ionization-Mass Spectroscopy and Magnetic Properties","Inorganic Chemistry","2011","50","","7274","7283","10.1021/ic200883b","","","0.71073","MoKα","","0.1212","0.0627","","","0.1588","0.2237","","","","","","1.107","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325820","14.585","0.002","14.585","0.002","9.6213","0.0019","90","","90","","120","","1772.5","0.5","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C60 H78 Cl2 N6 Ni7 O26 -","- C60 H78 Cl2 N6 Ni7 O26 -","- C60 H78 Cl2 N6 Ni7 O26 -","1","0.166667","","Lian-Qiang Wei; Kun Zhang; Ying-Chun Feng; Yun-Hong Wang; Ming-Hua Zeng; Mohamedally Kurmoo","Microwave versus Traditional Solvothermal Synthesis of Ni7II Discs: Effect of Ligand on Exchange Reaction in Solution Studied by Electrospray Ionization-Mass Spectroscopy and Magnetic Properties","Inorganic Chemistry","2011","50","","7274","7283","10.1021/ic200883b","","","0.71073","MoKα","","0.1485","0.0618","","","0.1629","0.2356","","","","","","1.069","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325821","13.936","0.002","13.936","0.002","24.01","0.005","90","","90","","120","","4038.3","1.2","298","2","298","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C60 H78 Cl2 N6 Ni7 O26 -","- C60 H78 Cl2 N6 Ni7 O26 -","- C120 H156 Cl4 N12 Ni14 O52 -","2","0.166667","","Lian-Qiang Wei; Kun Zhang; Ying-Chun Feng; Yun-Hong Wang; Ming-Hua Zeng; Mohamedally Kurmoo","Microwave versus Traditional Solvothermal Synthesis of Ni7II Discs: Effect of Ligand on Exchange Reaction in Solution Studied by Electrospray Ionization-Mass Spectroscopy and Magnetic Properties","Inorganic Chemistry","2011","50","","7274","7283","10.1021/ic200883b","","","0.71073","MoKα","","0.1053","0.0697","","","0.1985","0.2157","","","","","","1.137","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325822","8.5221","0.0006","6.4754","0.0004","11.5083","0.0008","90","","108.673","0.002","90","","601.64","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H8 Cu N4 O2 -","- C12 H8 Cu N4 O2 -","- C24 H16 Cu2 N8 O4 -","2","1","","Xiu-Mei Zhang; Yan-Qin Wang; You Song; En-Qing Gao","Synthesis, Structures, and Magnetism of Copper(II) and Manganese(II) Coordination Polymers with Azide and Pyridylbenzoates","Inorganic Chemistry","2011","50","","7284","7294","10.1021/ic2008842","","","0.71073","MoKα","","0.0473","0.0344","","","0.0687","0.0734","","","","","","1.012","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325823","15.2793","0.0012","19.3066","0.0016","20.7718","0.0016","90","","99.01","0.003","90","","6051.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cu2 N6 O9 -","- C36 H24 Cu2 N6 O6 -","- C144 H96 Cu8 N24 O24 -","4","1","","Xiu-Mei Zhang; Yan-Qin Wang; You Song; En-Qing Gao","Synthesis, Structures, and Magnetism of Copper(II) and Manganese(II) Coordination Polymers with Azide and Pyridylbenzoates","Inorganic Chemistry","2011","50","","7284","7294","10.1021/ic2008842","","","0.71073","MoKα","","0.0838","0.0485","","","0.1411","0.1457","","","","","","1.028","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325824","11.362","0.0003","15.3393","0.0004","7.5356","0.0002","90","","90.009","0.001","90","","1313.34","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Mn N4 O4 -","- C12 H12 Mn N4 O4 -","- C48 H48 Mn4 N16 O16 -","4","1","","Xiu-Mei Zhang; Yan-Qin Wang; You Song; En-Qing Gao","Synthesis, Structures, and Magnetism of Copper(II) and Manganese(II) Coordination Polymers with Azide and Pyridylbenzoates","Inorganic Chemistry","2011","50","","7284","7294","10.1021/ic2008842","","","0.71073","MoKα","","0.0309","0.0264","","","0.0705","0.0732","","","","","","1.053","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325825","10.8813","0.0006","27.3449","0.0016","15.7652","0.0009","90","","93.387","0.001","90","","4682.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolate)- tetralead(II), chlorobenzene adduct","","- C13 H6.5 Cl0.5 F12 O8 Pb4 -","- C13 H6.5 Cl0.5 F12 O8 Pb4 -","- C104 H52 Cl4 F96 O64 Pb32 -","8","2","","Zheng Wei; Jen-Hsien Yang; Volodimir D. Vreshch; Alexander V. Zabula; Alexander S. Filatov; Evgeny V. Dikarev","Homoleptic Tetranuclear Complexes of Divalent Tin and Lead Tetraolates","Inorganic Chemistry","2011","50","","7295","7300","10.1021/ic200890h","","","0.71073","Mo-Kα","","0.0396","0.0299","","","0.067","0.0706","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325826","14.7107","0.0014","14.7107","0.0014","9.6386","0.0017","90","","90","","90","","2085.8","0.5","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Bis(1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolate)-tetratin(II)","","- C10 H4 F12 O8 Sn4 -","- C10 H4 F12 O8 Sn4 -","- C40 H16 F48 O32 Sn16 -","4","0.25","","Zheng Wei; Jen-Hsien Yang; Volodimir D. Vreshch; Alexander V. Zabula; Alexander S. Filatov; Evgeny V. Dikarev","Homoleptic Tetranuclear Complexes of Divalent Tin and Lead Tetraolates","Inorganic Chemistry","2011","50","","7295","7300","10.1021/ic200890h","","","0.71073","Mo-Kα","","0.0197","0.0187","","","0.051","0.052","","","","","","1.046","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325827","14.6109","0.0006","18.7252","0.0006","7.4017","0.0003","90","","113.806","0.002","90","","1852.75","0.13","111","2","111","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Au N2 Sn -","- C20 H15 Au N2 Sn -","- C80 H60 Au4 N8 Sn4 -","4","0.5","","Csaba Jobbágy; Tünde Tunyogi; Gábor Pálinkás; Andrea Deák","A Versatile Solvent-Free Mechanochemical Route to the Synthesis of Heterometallic Dicyanoaurate-Based Coordination Polymers","Inorganic Chemistry","2011","50","","7301","7308","10.1021/ic200893n","","","0.71073","MoKα","","0.0286","0.0259","","","0.088","0.11","","","","","","1.426","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325828","8.44","0.002","7.1808","0.0012","13.845","0.002","90","","90","","90","","839.1","0.3","293","2","293","2","","","","","","","","4","I m m m","-I 2 2","71","","2-aminopyrazine diazido cobalt(II)","","- C4 H5 Co N9 -","- C4 H2 Co N9 -","- C16 H8 Co4 N36 -","4","0.25","","Jaursup Boonmak; Motohiro Nakano; Narongsak Chaichit; Chaveng Pakawatchai; Sujittra Youngme","Spin Canting and Metamagnetism in 2D and 3D Cobalt(II) Coordination Networks with Alternating Double End-On and Double End-to-End Azido Bridges","Inorganic Chemistry","2011","50","","7324","7333","10.1021/ic201035c","","","0.71073","MoKα","","0.0493","0.0397","","","0.1291","0.1314","","","","","","1.285","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325829","7.3754","0.0015","14.095","0.003","7.9773","0.0016","90","","97.03","0.03","90","","823.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-aminopyrazine diazido cobalt(II)","","- C4 H5 Co N9 -","- C4 H5 Co N9 -","- C16 H20 Co4 N36 -","4","1","","Jaursup Boonmak; Motohiro Nakano; Narongsak Chaichit; Chaveng Pakawatchai; Sujittra Youngme","Spin Canting and Metamagnetism in 2D and 3D Cobalt(II) Coordination Networks with Alternating Double End-On and Double End-to-End Azido Bridges","Inorganic Chemistry","2011","50","","7324","7333","10.1021/ic201035c","","","0.71073","MoKα","","0.0296","0.0285","","","0.0815","0.0822","","","","","","1.118","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325830","5.7605","0.0004","16.4249","0.0013","18.2271","0.0014","80.761","0.001","85.089","0.002","83.501","0.001","1687.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N-(2,5-dithienylphenyl)-2-pyridinalimine","(NE)-N-(pyridin-2-ylmethylidene)-2,5-bis(thiophen-2-yl)aniline","","- C20 H14 N2 S2 -","- C20 H14 N2 S2 -","- C80 H56 N8 S8 -","4","2","","Brandon Djukic; Takele Seda; Serge I. Gorelsky; Alan J. Lough; Martin T. Lemaire","π-Extended and Six-Coordinate Iron(II) Complexes: Structures, Magnetic Properties, and the Electrochemical Synthesis of a Conducting Iron(II) Metallopolymer","Inorganic Chemistry","2011","50","","7334","7343","10.1021/ic2010503","","","0.71073","MoKα","","0.1","0.0714","","","0.1932","0.2277","","","","","","1.03","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325831","10.1613","0.0005","15.1701","0.0009","16.5684","0.001","102.549","0.003","91.113","0.004","106.291","0.003","2384.1","0.2","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H36 Fe N6 S6 -","- C49 H36 Fe N6 S6 -","- C98 H72 Fe2 N12 S12 -","2","1","","Brandon Djukic; Takele Seda; Serge I. Gorelsky; Alan J. Lough; Martin T. Lemaire","π-Extended and Six-Coordinate Iron(II) Complexes: Structures, Magnetic Properties, and the Electrochemical Synthesis of a Conducting Iron(II) Metallopolymer","Inorganic Chemistry","2011","50","","7334","7343","10.1021/ic2010503","","","0.71073","MoKα","","0.143","0.0706","","","0.1639","0.1906","","","","","","0.989","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325832","17.3899","0.0011","9.6294","0.0006","26.6152","0.0017","90","","105.551","0.003","90","","4293.7","0.5","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H37 Cl Fe N6 S2 -","- C50.5 H37 Cl Fe N6 S2 -","- C202 H148 Cl4 Fe4 N24 S8 -","4","1","","Brandon Djukic; Takele Seda; Serge I. Gorelsky; Alan J. Lough; Martin T. Lemaire","π-Extended and Six-Coordinate Iron(II) Complexes: Structures, Magnetic Properties, and the Electrochemical Synthesis of a Conducting Iron(II) Metallopolymer","Inorganic Chemistry","2011","50","","7334","7343","10.1021/ic2010503","","","0.71073","MoKα","","0.1846","0.0923","","","0.2001","0.2482","","","","","","1.123","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325833","8.1239","0.001","10.2042","0.0013","12.2561","0.0016","80.309","0.002","76.989","0.002","67.065","0.002","908","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","2,5-Mes2py","","","- C23 H25 N -","- C23 H25 N -","- C46 H50 N2 -","2","1","","Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry","Inorganic Chemistry","2011","50","","7309","7316","10.1021/ic201205p","","","0.71073","MoKα","","0.1166","0.0586","","","0.1295","0.1632","","","","","","1.025","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325834","41.6469","0.0017","11.4102","0.0005","17.7925","0.0007","90","","92.808","0.002","90","","8444.8","0.6","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ag(2,5-Mes2py)2]OTf","","","- C47 H50 Ag F3 N2 O3 S -","- C47 H50 Ag F3 N2 O3 S -","- C376 H400 Ag8 F24 N16 O24 S8 -","8","1","","Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry","Inorganic Chemistry","2011","50","","7309","7316","10.1021/ic201205p","","","0.71073","MoKα","","0.058","0.0376","","","0.0816","0.0899","","","","","","1.012","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325835","39.15","0.02","11.714","0.006","18.342","0.01","90","","94.148","0.013","90","","8390","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu(2,5-Mes2py)2]OTf","","","- C47 H50 Cu F3 N2 O3 S -","- C47 H50 Cu F3 N2 O3 S -","- C376 H400 Cu8 F24 N16 O24 S8 -","8","1","","Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry","Inorganic Chemistry","2011","50","","7309","7316","10.1021/ic201205p","","","0.71073","MoKα","","0.1236","0.0603","","","0.1285","0.1525","","","","","","1.023","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325836","11.75","0.003","13.467","0.003","17.713","0.004","92.256","0.003","90.538","0.003","105.233","0.003","2701.7","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Cu(OTf)2(2,5-Mes2py)2","","","- C57 H59 Cu F6 N2 O6 S2 -","- C57 H59 Cu F6 N2 O6 S2 -","- C114 H118 Cu2 F12 N4 O12 S4 -","2","1","","Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry","Inorganic Chemistry","2011","50","","7309","7316","10.1021/ic201205p","","","0.71073","MoKα","","0.1432","0.073","","","0.1445","0.1716","","","","","","1.029","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325837","21.5547","0.0005","11.816","0.0008","19.0218","0.0009","90","","90","","90","","4844.7","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd(OAc)2(2,5-Mes2py)2","","","- C54 H66 N2 O5 Pd -","- C54 H66 N2 O5 Pd -","- C216 H264 N8 O20 Pd4 -","4","1","","Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry","Inorganic Chemistry","2011","50","","7309","7316","10.1021/ic201205p","","","0.71073","MoKα","","0.0379","0.0299","","","0.068","0.0704","","","","","","1.019","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325838","21.544","0.006","14.986","0.004","16.98","0.005","90","","120.478","0.003","90","","4725","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(mu-I)2[CoI(2,5-Mes2py)]2","","","- C46 H50 Co2 I4 N2 -","- C46 H50 Co2 I4 N2 -","- C184 H200 Co8 I16 N8 -","4","0.5","","Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry","Inorganic Chemistry","2011","50","","7309","7316","10.1021/ic201205p","","","0.71073","MoKα","","0.0675","0.0423","","","0.0741","0.0809","","","","","","1.058","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325839","23.298","0.003","20.346","0.002","18.482","0.002","90","","107.507","0.002","90","","8355.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CoI2(2,5-Mes2py)2","","","- C46 H50 Co I2 N2 -","- C46 H50 Co I2 N2 -","- C368 H400 Co8 I16 N16 -","8","2","","Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry","Inorganic Chemistry","2011","50","","7309","7316","10.1021/ic201205p","","","0.71073","MoKα","","0.1201","0.057","","","0.1203","0.1437","","","","","","1.032","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325840","18.454","0.005","9.218","0.002","16.758","0.004","90","","109.199","0.003","90","","2692.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CoBr2(THF)(2,5-Mes2py)2","","","- C27 H33 Br2 Co N O -","- C27 H33 Br2 Co N O -","- C108 H132 Br8 Co4 N4 O4 -","4","1","","Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry","Inorganic Chemistry","2011","50","","7309","7316","10.1021/ic201205p","","","0.71073","MoKα","","0.0954","0.0487","","","0.0903","0.1104","","","","","","1.017","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325841","13.054","0.003","13.683","0.003","17.743","0.004","90","","91.47","0.03","90","","3168.2","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 F3 Ir N4 O3 S3 -","- C31 H22 F3 Ir N4 O3 S3 -","- C124 H88 F12 Ir4 N16 O12 S12 -","4","1","","Yongquan Wu; Hao Jing; Zesheng Dong; Qiang Zhao; Huazhou Wu; Fuyou Li","Ratiometric Phosphorescence Imaging of Hg(II) in Living Cells Based on a Neutral Iridium(III) Complex","Inorganic Chemistry","2011","50","","7412","7420","10.1021/ic102082k","","","0.71073","MoKα","","0.0569","0.0343","","","0.0793","0.091","","","","","","1.061","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325842","33.243","0.007","13.339","0.003","24.388","0.006","90","","116.413","0.008","90","","9685","4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H96 Ag2 F6 O10 P4 S2 -","- C98 H96 Ag2 F6 O10 P4 S2 -","- C392 H384 Ag8 F24 O40 P16 S8 -","4","0.5","","Jian Hu; Minh-Hai Nguyen; John H. K. Yip","Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings","Inorganic Chemistry","2011","50","","7429","7439","10.1021/ic102441b","","","0.71073","MoKα","","0.1015","0.0858","","","0.2292","0.2429","","","","","","1.037","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325843","19.8148","0.0009","20.6818","0.0008","22.1823","0.001","90","","106.899","0.001","90","","8697.9","0.7","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2","","","- C94 H81 Cu2 F12 N5 O1.5 P6 -","- C94 H81 Cu2 F12 N5 O1.5 P6 -","- C376 H324 Cu8 F48 N20 O6 P24 -","4","1","","Jian Hu; Minh-Hai Nguyen; John H. K. Yip","Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings","Inorganic Chemistry","2011","50","","7429","7439","10.1021/ic102441b","","","0.71073","MoKα","","0.1723","0.0868","","","0.1828","0.2194","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325844","12.485","0.004","16.178","0.005","39.625","0.012","90","","96.866","0.005","90","","7946","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3","","","- C85 H68 Br2 Cl0 Cu2 I2 O P4 -","- C85 H68 Br2 Cu2 I2 O P4 -","- C340 H272 Br8 Cu8 I8 O4 P16 -","4","1","","Jian Hu; Minh-Hai Nguyen; John H. K. Yip","Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings","Inorganic Chemistry","2011","50","","7429","7439","10.1021/ic102441b","","","0.71073","MoKα","","0.2101","0.149","","","0.3614","0.3891","","","","","","1.147","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325845","11.3616","0.0004","19.8387","0.0008","20.8318","0.0008","90","","103.567","0.001","90","","4564.5","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4","","","- C57 H38 Ag F3 O3 P2 S -","- C57 H38 Ag F3 O3 P2 S -","- C228 H152 Ag4 F12 O12 P8 S4 -","4","1","","Jian Hu; Minh-Hai Nguyen; John H. K. Yip","Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings","Inorganic Chemistry","2011","50","","7429","7439","10.1021/ic102441b","","","0.71073","MoKα","","0.0923","0.0697","","","0.1703","0.1837","","","","","","1.062","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325846","12.3088","0.0008","15.1451","0.001","20.514","0.0014","90","","90","","90","","3824.2","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5","","","- C40 H28 Au2 Cl2 P2 -","- C40 H28 Au2 Cl2 P2 -","- C160 H112 Au8 Cl8 P8 -","4","1","","Jian Hu; Minh-Hai Nguyen; John H. K. Yip","Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings","Inorganic Chemistry","2011","50","","7429","7439","10.1021/ic102441b","","","0.71073","MoKα","","0.0666","0.0593","","","0.1498","0.1527","","","","","","1.15","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325847","9.1022","0.0005","9.5051","0.0005","9.9259","0.0006","67.706","0.001","71.735","0.001","77.666","0.001","750.14","0.07","223","2","223","2","","","","","","","","4","P -1","-P 1","2","6","","","- C40 H28 O2 P2 -","- C40 H28 O2 P2 -","- C40 H28 O2 P2 -","1","0.5","","Jian Hu; Minh-Hai Nguyen; John H. K. Yip","Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings","Inorganic Chemistry","2011","50","","7429","7439","10.1021/ic102441b","","","0.71073","MoKα","","0.0518","0.0479","","","0.1267","0.1298","","","","","","1.051","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325848","7.8827","0.0004","22.5032","0.0011","8.8948","0.0005","90","","90","","90","","1577.81","0.14","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H16 Cl2 O3 Pd S2 -","- C13 H16 Cl2 O3 Pd S2 -","- C52 H64 Cl8 O12 Pd4 S8 -","4","1","","Svetlana N. Dmitrieva; Natalia I. Sidorenko; Nikolay A. Kurchavov; Artem I. Vedernikov; Alexandra Ya. Freidzon; Lyudmila G. Kuz'mina; Aleksei K. Buryak; Tat'yana M. Buslaeva; Alexander A. Bagatur'yants; Yuri A. Strelenko; Judith A. K. Howard; Sergey P. Gromov","Macrocyclic Complexes of Palladium(II) with Benzothiacrown Ethers: Synthesis, Characterization, and Structure ofcisandtransIsomers","Inorganic Chemistry","2011","50","","7500","7510","10.1021/ic2003063","","","0.71073","MoKα","","0.0683","0.0478","","","0.0953","0.1022","","","","","","1.038","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325849","23.4332","0.0003","11.4378","0.0002","17.2521","0.0003","90","","122.771","0.001","90","","3888.03","0.12","150","2","150","2","","","","","","","synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H54 B10 P4 Pd2 -","- C32 H54 B10 P4 Pd2 -","- C128 H216 B40 P16 Pd8 -","4","0.5","","Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang","Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects","Inorganic Chemistry","2011","50","","7511","7523","10.1021/ic200374k","","","0.71073","MoKα","","0.044","0.0323","","","0.0761","0.0809","","","","","","1.055","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325850","11.798","0.002","16.341","0.003","21.652","0.004","90","","98.427","0.001","90","","4129.2","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 B10 Cl P4 Pd2 -","- C32 H53 B10 Cl P4 Pd2 -","- C128 H212 B40 Cl4 P16 Pd8 -","4","1","","Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang","Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects","Inorganic Chemistry","2011","50","","7511","7523","10.1021/ic200374k","","","0.71073","MoKα","","0.059","0.0412","","","0.0942","0.1046","","","","","","1.083","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325851","23.566","0.005","10.827","0.002","17.533","0.004","90","","90","","90","","4473.5","1.6","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H54 B10 O P4 Pd Pt -","- C33 H54 B10 O P4 Pd0.9972 Pt -","- C132 H216 B40 O4 P16 Pd3.9888 Pt4 -","4","1","","Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang","Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects","Inorganic Chemistry","2011","50","","7511","7523","10.1021/ic200374k","","","0.71073","MoKα","","0.0269","0.0243","","","0.062","0.0631","","","","","","1.032","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325852","12.492","0.003","24.495","0.005","18.706","0.006","90","","123.51","0.02","90","","4773","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H55 B10 Cl3 O P4 Pd2 -","- C34 H55 B10 Cl3 O P4 Pd2 -","- C136 H220 B40 Cl12 O4 P16 Pd8 -","4","1","","Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang","Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects","Inorganic Chemistry","2011","50","","7511","7523","10.1021/ic200374k","","","0.71073","MoKα","","0.0535","0.036","","","0.078","0.0858","","","","","","0.999","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325853","23.901","0.005","10.743","0.002","17.573","0.004","90","","90","","90","","4512.2","1.6","150","2","150","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C33 H56 B10 Cl2 O2 P4 Pd Pt S -","- C33 H56 B10 Cl2 O2 P4 Pd Pt S -","- C132 H224 B40 Cl8 O8 P16 Pd4 Pt4 S4 -","4","1","","Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang","Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects","Inorganic Chemistry","2011","50","","7511","7523","10.1021/ic200374k","","","0.71073","MoKα","","0.0764","0.0469","","","0.0865","0.0961","","","","","","1.025","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325854","23.964","0.005","10.788","0.002","17.682","0.004","90","","90","","90","","4571.2","1.6","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H60 B10 O2 P4 Pd2 S -","- C38 H60 B10 O2 P4 Pd2 S -","- C152 H240 B40 O8 P16 Pd8 S4 -","4","1","","Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang","Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects","Inorganic Chemistry","2011","50","","7511","7523","10.1021/ic200374k","","","0.71073","MoKα","","0.0565","0.0433","","","0.1069","0.1152","","","","","","1.044","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325855","13.1473","0.0007","12.2378","0.0007","18.2746","0.001","90","","110.143","0.0007","90","","2760.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 N3 Rh2 -","- C31 H42 N3 Rh2 -","- C124 H168 N12 Rh8 -","4","1","","Cristina Tejel; M. Pilar del Río; Laura Asensio; Fieke J. van den Bruele; Miguel A. Ciriano; Nearchos Tsichlis i Spithas; Dennis G. H. Hetterscheid; Bas de Bruin","Cooperative Double Deprotonation of Bis(2-picolyl)amine Leading to Unexpected Bimetallic Mixed Valence (M-I, MI) Rhodium and Iridium Complexes","Inorganic Chemistry","2011","50","","7524","7534","10.1021/ic200395m","","","0.71073","MoKα","","0.0383","0.0276","","","0.0635","0.0685","","","","","","1.04","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325856","13.2335","0.0008","12.1644","0.0007","18.2294","0.001","90","","110.821","0.001","90","","2742.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 Ir2 N3 -","- C31 H42 Ir2 N3 -","- C124 H168 Ir8 N12 -","4","1","","Cristina Tejel; M. Pilar del Río; Laura Asensio; Fieke J. van den Bruele; Miguel A. Ciriano; Nearchos Tsichlis i Spithas; Dennis G. H. Hetterscheid; Bas de Bruin","Cooperative Double Deprotonation of Bis(2-picolyl)amine Leading to Unexpected Bimetallic Mixed Valence (M-I, MI) Rhodium and Iridium Complexes","Inorganic Chemistry","2011","50","","7524","7534","10.1021/ic200395m","","","0.71073","MoKα","","0.0453","0.0305","","","0.0662","0.0723","","","","","","1.015","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325857","18.075","0.005","10.159","0.005","18.792","0.005","90","0.005","100.921","0.005","90","0.005","3388","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N3 O Rh -","- C20 H22 N3 O Rh -","- C160 H176 N24 O8 Rh8 -","8","2","","Cristina Tejel; M. Pilar del Río; Laura Asensio; Fieke J. van den Bruele; Miguel A. Ciriano; Nearchos Tsichlis i Spithas; Dennis G. H. Hetterscheid; Bas de Bruin","Cooperative Double Deprotonation of Bis(2-picolyl)amine Leading to Unexpected Bimetallic Mixed Valence (M-I, MI) Rhodium and Iridium Complexes","Inorganic Chemistry","2011","50","","7524","7534","10.1021/ic200395m","","","0.71069","MoKα","","0.0488","0.0375","","","0.0783","0.088","","","","","","1.104","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325858","12.8505","0.0005","13.2454","0.0006","19.6811","0.0008","103.768","0.0011","92.8707","0.001","97.5486","0.0011","3213.9","0.2","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H126.2 Er K1.3 N8.3 Na3.2 O117.1 P2 W22 -","- C20 Er K N4 Na2 O96 P2 W22 -","- C20 Er K N4 Na2 O96 P2 W22 -","1","1","","Haruo Naruke; Jun Iijima; Takanobu Sanji","Enantioselective Resolutions and Circular Dichroism Studies of Lanthanide-Containing Keggin-Type [Ln(PW11O39)2]11- Polyoxometalates","Inorganic Chemistry","2011","50","","7535","7539","10.1021/ic200401g","","","0.71075","MoKα","","","0.0583","","","","0.1681","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325859","12.8544","0.0003","13.2986","0.0003","19.7777","0.0005","103.66","0.0007","92.6904","0.0007","97.6256","0.0007","3245.46","0.13","213","","213","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H124.2 K1.3 N8.3 Na3.2 O116.1 P2 Pr W22 -","- C20 K0.7 N4 Na0.5 O98.5 P2 Pr W22 -","- C20 K0.7 N4 Na0.5 O98.5 P2 Pr W22 -","1","1","","Haruo Naruke; Jun Iijima; Takanobu Sanji","Enantioselective Resolutions and Circular Dichroism Studies of Lanthanide-Containing Keggin-Type [Ln(PW11O39)2]11- Polyoxometalates","Inorganic Chemistry","2011","50","","7535","7539","10.1021/ic200401g","","","0.71075","MoKα","","","0.0509","","","","0.1529","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325860","12.8016","0.0004","13.2173","0.0005","19.7108","0.0007","103.714","0.0012","92.5694","0.0013","97.6599","0.0012","3201","0.2","203","","203","","","","","","","","","9","P 1","P 1","1","","","","- C41.5 H115.2 K1.3 N8.3 Na3.2 O111.6 P2 Pr W22 -","- C20 K N4 Na O98 P2 Pr W22 -","- C20 K N4 Na O98 P2 Pr W22 -","1","1","","Haruo Naruke; Jun Iijima; Takanobu Sanji","Enantioselective Resolutions and Circular Dichroism Studies of Lanthanide-Containing Keggin-Type [Ln(PW11O39)2]11- Polyoxometalates","Inorganic Chemistry","2011","50","","7535","7539","10.1021/ic200401g","","","0.71075","MoKα","","","0.043","","","","0.1425","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325861","10.169","0.005","11.127","0.005","13.182","0.006","94.846","0.012","104.436","0.011","105.468","0.011","1373.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cu2 N7 O11 -","- C24 H27 Cu2 N7 O11 -","- C48 H54 Cu4 N14 O22 -","2","1","","Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta","Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity","Inorganic Chemistry","2011","50","","7540","7554","10.1021/ic200409d","","","0.71073","MoKα","","0.0677","0.0438","","","0.1235","0.1399","","","","","","0.907","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325862","17.3516","0.0007","14.5574","0.0006","22.5361","0.0009","90","","90","","90","","5692.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cl2 Cu2 N4 O11 -","- C24 H22 Cl2 Cu2 N4 O11 -","- C192 H176 Cl16 Cu16 N32 O88 -","8","1","","Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta","Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity","Inorganic Chemistry","2011","50","","7540","7554","10.1021/ic200409d","","","0.71073","MoKα","","0.0856","0.0635","","","0.1274","0.138","","","","","","1.113","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325863","12.4131","0.0004","26.1746","0.0008","8.7937","0.0003","90","","91.777","0.001","90","","2855.77","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H25 Cu2 N7 O S3 -","- C27 H25 Cu2 N7 O S3 -","- C108 H100 Cu8 N28 O4 S12 -","4","1","","Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta","Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity","Inorganic Chemistry","2011","50","","7540","7554","10.1021/ic200409d","","","0.71073","MoKα","","0.0435","0.0307","","","0.0494","0.0526","","","","","","1.002","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325864","8.9895","0.0002","12.0401","0.0003","13.2996","0.0003","73.845","0.001","86.49","0.001","74.236","0.001","1330.47","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Cl2 Cu4 N20 O10 -","- C48 H50 Cl2 Cu4 N20 O10 -","- C48 H50 Cl2 Cu4 N20 O10 -","1","0.5","","Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta","Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity","Inorganic Chemistry","2011","50","","7540","7554","10.1021/ic200409d","","","0.71073","MoKα","","0.0386","0.0304","","","0.0581","0.0605","","","","","","1.088","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325865","11.5844","0.001","11.988","0.001","14.8922","0.0013","106.791","0.001","104.263","0.001","107.767","0.001","1754","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H64 Cu7 N43 O5 -","- C54 H64 Cu7 N43 O5 -","- C54 H64 Cu7 N43 O5 -","1","1","","Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta","Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity","Inorganic Chemistry","2011","50","","7540","7554","10.1021/ic200409d","","","0.71073","MoKα","","0.087","0.0627","","","0.1361","0.1514","","","","","","1.038","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325866","25.677","0.01","13.996","0.005","19.119","0.008","90","","118.458","0.005","90","","6041","4","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H51.32 N7 O21.16 Zn4 -","- C61 H51.32 N7 O21.16 Zn4 -","- C244 H205.28 N28 O84.64 Zn16 -","4","0.5","","Ze Chang; Da-Shuai Zhang; Qiang Chen; Rui-Fang Li; Tong-Liang Hu; Xian-He Bu","Rational Construction of 3D Pillared Metal-Organic Frameworks: Synthesis, Structures, and Hydrogen Adsorption Properties","Inorganic Chemistry","2011","50","","7555","7562","10.1021/ic2004485","","","0.71073","MoKα","","0.128","0.1078","","","0.1981","0.2085","","","","","","1.235","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325867","29.943","0.006","13.921","0.003","18.994","0.004","90","","115.81","0.03","90","","7128","3","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H66 N12 O25 Zn4 -","- C64 H66 N12 O25 Zn4 -","- C256 H264 N48 O100 Zn16 -","4","0.5","","Ze Chang; Da-Shuai Zhang; Qiang Chen; Rui-Fang Li; Tong-Liang Hu; Xian-He Bu","Rational Construction of 3D Pillared Metal-Organic Frameworks: Synthesis, Structures, and Hydrogen Adsorption Properties","Inorganic Chemistry","2011","50","","7555","7562","10.1021/ic2004485","","","0.71073","MoKα","","0.2052","0.1272","","","0.2845","0.341","","","","","","1.098","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325868","12.4338","0.0005","18.6092","0.0007","14.7003","0.0006","90","","106.671","0.001","90","","3258.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 B9 Cl P2 Ru -","- C30 H40 B9 Cl P2 Ru -","- C120 H160 B36 Cl4 P8 Ru4 -","4","1","","Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin","Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate","Inorganic Chemistry","2011","50","","7574","7585","10.1021/ic200487w","","","0.71073","MoKα","","0.0479","0.0332","","","0.0715","0.0793","","","","","","1.001","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325869","12.4511","0.0005","18.6812","0.0007","30.6394","0.0012","90","","90.765","0.001","90","","7126.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.3 H46.6 B9 Cl P2 Ru -","- C33.3 H46.6 B9 Cl P2 Ru -","- C266.4 H372.8 B72 Cl8 P16 Ru8 -","8","1","","Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin","Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate","Inorganic Chemistry","2011","50","","7574","7585","10.1021/ic200487w","","","0.71073","MoKα","","0.0441","0.0325","","","0.07","0.074","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325870","17.2584","0.0009","14.1124","0.0007","28.7848","0.0014","90","","90","","90","","7010.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H39 B9 Cl3 P2 Ru -","- C31 H39 B9 Cl3 P2 Ru -","- C248 H312 B72 Cl24 P16 Ru8 -","8","1","","Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin","Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate","Inorganic Chemistry","2011","50","","7574","7585","10.1021/ic200487w","","","0.71073","MoKα","","0.0526","0.0383","","","0.0925","0.1022","","","","","","1.04","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325871","10.332","0.002","10.45","0.002","16.281","0.003","74.691","0.003","76.727","0.003","82.264","0.003","1645","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 B9 Cl2 P2 Ru -","- C30 H36 B9 Cl2 P2 Ru -","- C60 H72 B18 Cl4 P4 Ru2 -","2","1","","Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin","Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate","Inorganic Chemistry","2011","50","","7574","7585","10.1021/ic200487w","","","0.71073","MoKα","","0.0695","0.0416","","","0.0747","0.0831","","","","","","0.994","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325872","17.994","0.0011","18.5256","0.0011","36.676","0.002","90","","90","","90","","12225.9","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H35 B9 Cl P2 Ru -","- C30 H35 B9 Cl P2 Ru -","- C480 H560 B144 Cl16 P32 Ru16 -","16","2","","Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin","Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate","Inorganic Chemistry","2011","50","","7574","7585","10.1021/ic200487w","","","0.71073","MoKα","","0.0874","0.0447","","","0.086","0.0998","","","","","","1.023","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325873","20.3916","0.0004","15.2013","0.0004","10.4538","0.0002","90","","97.911","0.001","90","","3209.62","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Ir N6 -","- C38 H40 Ir N6 -","- C152 H160 Ir4 N24 -","4","1","","Shuang Liu; Peter Müller; Michael K. Takase; Timothy M. Swager","""Click"" Synthesis of Heteroleptic Tris-Cyclometalated Iridium(III) Complexes: Cu(I) Triazolide Intermediates as Transmetalating Reagents","Inorganic Chemistry","2011","50","","7598","7609","10.1021/ic2005985","","","1.54178","CuKα","","0.033","0.0264","","","0.0626","0.066","","","","","","1.023","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325874","22.2313","0.0008","16.1839","0.0006","20.5272","0.0008","90","","116.927","0.002","90","","6584.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Cl2 F4 Ir N6 -","- C36 H31 Cl2 F4 Ir N6 -","- C288 H248 Cl16 F32 Ir8 N48 -","8","2","","Shuang Liu; Peter Müller; Michael K. Takase; Timothy M. Swager","""Click"" Synthesis of Heteroleptic Tris-Cyclometalated Iridium(III) Complexes: Cu(I) Triazolide Intermediates as Transmetalating Reagents","Inorganic Chemistry","2011","50","","7598","7609","10.1021/ic2005985","","","1.54178","CuKα","","0.0294","0.0291","","","0.0705","0.0706","","","","","","1.264","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325875","12.9605","0.0002","14.0627","0.0002","18.7948","0.0003","90","","92.227","0.001","90","","3422.95","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 F10 Ir N6 P -","- C35 H30 F10 Ir N6 P -","- C140 H120 F40 Ir4 N24 P4 -","4","1","","Shuang Liu; Peter Müller; Michael K. Takase; Timothy M. Swager","""Click"" Synthesis of Heteroleptic Tris-Cyclometalated Iridium(III) Complexes: Cu(I) Triazolide Intermediates as Transmetalating Reagents","Inorganic Chemistry","2011","50","","7598","7609","10.1021/ic2005985","","","1.54178","CuKα","","0.0268","0.0251","","","0.0599","0.0609","","","","","","1.068","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325876","12.9937","0.0007","10.5037","0.0006","13.4237","0.0007","90","","91.495","0.001","90","","1831.47","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H34 Cl3 F4 Ir N6 O -","- C36 H34 Cl3 F4 Ir N6 O -","- C72 H68 Cl6 F8 Ir2 N12 O2 -","2","1","","Shuang Liu; Peter Müller; Michael K. Takase; Timothy M. Swager","""Click"" Synthesis of Heteroleptic Tris-Cyclometalated Iridium(III) Complexes: Cu(I) Triazolide Intermediates as Transmetalating Reagents","Inorganic Chemistry","2011","50","","7598","7609","10.1021/ic2005985","","","0.71073","MoKα","","0.0186","0.0178","","","0.0441","0.0445","","","","","","1.045","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325877","9.3162","0.0008","20.6527","0.0018","36.859","0.005","90","","94.048","0.008","90","","7074.2","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 Cd5 N16 O29 S4 -","- C50 H46 Cd5 N16 O29 S4 -","- C200 H184 Cd20 N64 O116 S16 -","4","0.5","","Qilong Zhu; Tianlu Sheng; Chunhong Tan; Shengmin Hu; Ruibiao Fu; Xintao Wu","Formation of Zn(II) and Cd(II) Coordination Polymers Assembled by Triazine-Based Polycarboxylate and in-Situ-Generated Pyridine-4-thiolate or Dipyridylsulfide Ligands: Observation of an Unusual Luminescence Thermochromism","Inorganic Chemistry","2011","50","","7618","7624","10.1021/ic200640g","","","0.71073","MoKα","","0.0742","0.0569","","","0.1693","0.1904","","","","","","1.022","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325878","36.285","0.015","37.132","0.014","9.665","0.004","90","","90","","90","","13022","9","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H54 Cd6 N16 O31 S2 -","- C50 H40 Cd6 N16 O31 S2 -","- C400 H320 Cd48 N128 O248 S16 -","8","0.5","","Qilong Zhu; Tianlu Sheng; Chunhong Tan; Shengmin Hu; Ruibiao Fu; Xintao Wu","Formation of Zn(II) and Cd(II) Coordination Polymers Assembled by Triazine-Based Polycarboxylate and in-Situ-Generated Pyridine-4-thiolate or Dipyridylsulfide Ligands: Observation of an Unusual Luminescence Thermochromism","Inorganic Chemistry","2011","50","","7618","7624","10.1021/ic200640g","","","0.71073","MoKα","","0.049","0.0425","","","0.0934","0.098","","","","","","1.112","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325879","10.4882","0.0004","19.2987","0.0007","18.1601","0.0008","90","","92.285","0.003","90","","3672.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N8 O18 S Zn3 -","- C25 H20 N8 O18 S Zn3 -","- C100 H80 N32 O72 S4 Zn12 -","4","1","","Qilong Zhu; Tianlu Sheng; Chunhong Tan; Shengmin Hu; Ruibiao Fu; Xintao Wu","Formation of Zn(II) and Cd(II) Coordination Polymers Assembled by Triazine-Based Polycarboxylate and in-Situ-Generated Pyridine-4-thiolate or Dipyridylsulfide Ligands: Observation of an Unusual Luminescence Thermochromism","Inorganic Chemistry","2011","50","","7618","7624","10.1021/ic200640g","","","0.71073","MoKα","","0.0703","0.0631","","","0.1838","0.1943","","","","","","1.083","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325880","7.6091","0.0007","14.2283","0.0015","18.693","0.002","111.154","0.004","91.646","0.004","102.494","0.004","1830","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H31 B4 F16 N9 O5 Zn2 -","- C23 H31 B4 F16 N9 O5 Zn2 -","- C46 H62 B8 F32 N18 O10 Zn4 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes","Inorganic Chemistry","2011","50","","7637","7649","10.1021/ic200670w","","","0.71069","MoKα","","0.0989","0.0845","","","0.2165","0.2286","","","","","","1.047","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325881","9.8273","0.0017","12.01","0.002","15.111","0.003","75.586","0.008","73.672","0.009","76.293","0.008","1630.7","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Cl4 N8 O18 Pb2 -","- C21 H24 Cl4 N8 O18 Pb2 -","- C42 H48 Cl8 N16 O36 Pb4 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes","Inorganic Chemistry","2011","50","","7637","7649","10.1021/ic200670w","","","0.71069","MoKα","","0.0343","0.0266","","","0.0626","0.0654","","","","","","1.054","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325882","9.1759","0.0018","11.974","0.002","16.043","0.003","84.705","0.009","80.236","0.011","78.353","0.009","1698.3","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 Cl4 N8 O19 Pb2 -","- C21 H26 Cl4 N8 O19 Pb2 -","- C42 H52 Cl8 N16 O38 Pb4 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes","Inorganic Chemistry","2011","50","","7637","7649","10.1021/ic200670w","","","0.71069","MoKα","","0.0177","0.0163","","","0.0495","0.0501","","","","","","1.195","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325883","10.1195","0.0009","12.6995","0.0011","17.7334","0.0015","71.677","0.004","73.808","0.004","79.069","0.004","2064.6","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H26 F12 N8 O15 Pb2 S4 -","- C25 H26 F12 N8 O15 Pb2 S4 -","- C50 H52 F24 N16 O30 Pb4 S8 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes","Inorganic Chemistry","2011","50","","7637","7649","10.1021/ic200670w","","","0.71069","MoKα","","0.0315","0.027","","","0.0795","0.1106","","","","","","1.157","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325884","27.9354","0.0013","27.9354","0.0013","15.2254","0.0008","90","","90","","90","","11881.7","1","90","2","90","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C84 H96 Cl8 Cu0 N32 O40 Pb4 -","- C84 H96 Cl8 N32 O40 Pb4 -","- C336 H384 Cl32 N128 O160 Pb16 -","4","0.25","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes","Inorganic Chemistry","2011","50","","7637","7649","10.1021/ic200670w","","","0.71073","MoKα","","0.0473","0.0402","","","0.117","0.1225","","","","","","1.193","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325885","27.861","0.004","27.861","0.004","15.258","0.004","90","","90","","90","","11844","4","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C21.75 H24 Cl2 N8.75 O11.5 Pb -","- C21.75 H24 Cl2 N8.75 O11.5 Pb -","- C348 H384 Cl32 N140 O184 Pb16 -","16","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes","Inorganic Chemistry","2011","50","","7637","7649","10.1021/ic200670w","","","0.71073","MoKα","","0.0584","0.0505","","","0.1104","0.1144","","","","","","1.161","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325886","13.5655","0.0013","14.274","0.003","14.289","0.0015","101.348","0.007","113.591","0.005","98.629","0.007","2404.1","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H42 F12 N8 O19 S4 Zn2 -","- C29 H42 F12 N8 O19 S4 Zn2 -","- C58 H84 F24 N16 O38 S8 Zn4 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes","Inorganic Chemistry","2011","50","","7637","7649","10.1021/ic200670w","","","0.71069","MoKα","","0.0306","0.026","","","0.0744","0.0982","","","","","","1.218","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325887","5.8235","0.0003","7.4099","0.0003","7.3973","0.0004","90","","114.183","0.002","90","","291.19","0.03","298","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Co F H4 Na O6 Se -","- Co F Na O6 Se -","- Co2 F2 Na2 O12 Se2 -","2","0.5","","B. C. Melot; J. N. Chotard; G. Rousse; M. Ati; M. Reynaud; J. M. Tarascon","Synthesis, Structure, and Magnetic Properties of the NaCoXO4F.2H2O Phases Where X= S and Se","Inorganic Chemistry","2011","50","","7662","7668","10.1021/ic200700r","powder diffraction","","","CuKα","","","","","","","","","6.415","","","","","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325888","5.73991","0.00006","7.3225","0.00007","7.19288","0.00008","90","","113.512","0.001","90","","277.221","0.005","298","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Co D4 F Na O6 S -","- Co D4 F Na O6 S -","- Co2 D8 F2 Na2 O12 S2 -","2","0.5","","B. C. Melot; J. N. Chotard; G. Rousse; M. Ati; M. Reynaud; J. M. Tarascon","Synthesis, Structure, and Magnetic Properties of the NaCoXO4F.2H2O Phases Where X= S and Se","Inorganic Chemistry","2011","50","","7662","7668","10.1021/ic200700r","powder diffraction","neutron","1.5944","Neutron","","","","","","","","","3.5792","","","","","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325889","7.2103","0.0001","7.2103","0.0001","14.2842","0.0005","90","","90","","90","","742.61","0.03","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- B20 Ni21 Zn2 -","- B20 Ni21 Zn2 -","- B40 Ni42 Zn4 -","2","0.0625","","Zahida P. Malik; Oksana Sologub; Andriy Grytsiv; Gerald Giester; Peter F. Rogl","Crystal Structure of Novel Ni-Zn Borides: First Observation of a Boron-Metal Nested Cage Unit: B20Ni6","Inorganic Chemistry","2011","50","","7669","7675","10.1021/ic2007167","","","0.71073","MoKα","","0.0236","0.0175","","","0.0365","0.0393","","","","","","0.685","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325890","10.527","0.0002","14.5236","0.0003","14.5537","0.0003","90","","90","","90","","2225.11","0.08","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- B96 Ni144 Zn12 -","- B90.8 Ni144 Zn12 -","- B90.8 Ni144 Zn12 -","1","","","Zahida P. Malik; Oksana Sologub; Andriy Grytsiv; Gerald Giester; Peter F. Rogl","Crystal Structure of Novel Ni-Zn Borides: First Observation of a Boron-Metal Nested Cage Unit: B20Ni6","Inorganic Chemistry","2011","50","","7669","7675","10.1021/ic2007167","","","0.71073","MoKα","","0.0561","0.0287","","","0.0483","0.0535","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325891","9.5101","0.0004","2.8921","0.0004","8.4366","0.0003","90","","101.096","0.002","90","","227.7","0.03","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- B2 Ni3 Zn -","- B2 Ni3 Zn -","- B8 Ni12 Zn4 -","4","0.5","","Zahida P. Malik; Oksana Sologub; Andriy Grytsiv; Gerald Giester; Peter F. Rogl","Crystal Structure of Novel Ni-Zn Borides: First Observation of a Boron-Metal Nested Cage Unit: B20Ni6","Inorganic Chemistry","2011","50","","7669","7675","10.1021/ic2007167","","","0.71073","MoKα","","0.0252","0.0202","","","0.0464","0.0536","","","","","","0.692","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325892","6.511","0.0004","7.1695","0.0005","7.4983","0.0005","115.562","0.005","110.932","0.004","92.719","0.004","286.36","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-tetrachlorido-bis(1H-pyrazole)osmium(IV)","","- C6 H8 Cl4 N4 Os -","- C6 H8 Cl4 N4 Os -","- C6 H8 Cl4 N4 Os -","1","0.5","","Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion","En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2]","Inorganic Chemistry","2011","50","","7690","7697","10.1021/ic200728b","","","0.71073","MoKα","","0.0243","0.0243","","","0.0561","0.0561","","","","","","1.064","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325893","9.2546","0.0003","14.6087","0.0005","7.6323","0.0003","90","","99.294","0.002","90","","1018.32","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","trans-tetrachlorido-bis(imidazole)osmium(IV) dimethylsulfoxide adduct","","- C10 H20 Cl4 N4 O2 Os S2 -","- C10 H20 Cl4 N4 O2 Os S2 -","- C20 H40 Cl8 N8 O4 Os2 S4 -","2","0.5","","Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion","En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2]","Inorganic Chemistry","2011","50","","7690","7697","10.1021/ic200728b","","","0.71073","MoKα","","0.0288","0.0205","","","0.0441","0.0462","","","","","","1.067","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325894","31.5673","0.0009","16.9392","0.0006","14.3896","0.0005","90","","90","","90","","7694.5","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","trans-tetrachlorido-bis(1H-pyrazole)osmium(IV)-cucurbit[7]uril hydrate","","- C48 H72.5 Cl4 N32 O25.25 Os -","- C48 H58 Cl4 N32 O25.25 Os -","- C192 H232 Cl16 N128 O101 Os4 -","4","1","","Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion","En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2]","Inorganic Chemistry","2011","50","","7690","7697","10.1021/ic200728b","","","0.71073","MoKα","","0.0714","0.0486","","","0.1187","0.131","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325895","9.925","0.003","12.022","0.003","6.9802","0.0015","90","","108.128","0.011","90","","791.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-tetrachlorido-bis(2H-indazole)osmium(IV)","","- C14 H12 Cl4 N4 Os -","- C14 H12 Cl4 N4 Os -","- C28 H24 Cl8 N8 Os2 -","2","0.5","","Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion","En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2]","Inorganic Chemistry","2011","50","","7690","7697","10.1021/ic200728b","","","0.71073","MoKα","","0.0684","0.0311","","","0.0623","0.0686","","","","","","0.989","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325896","9.8508","0.0003","12.1309","0.0004","6.9496","0.0002","90","","108.036","0.002","90","","789.66","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-tetrachlorido-bis(benzimidazole)osmium(IV)","","- C14 H12 Cl4 N4 Os -","- C14 H12 Cl4 N4 Os -","- C28 H24 Cl8 N8 Os2 -","2","0.5","","Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion","En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2]","Inorganic Chemistry","2011","50","","7690","7697","10.1021/ic200728b","","","0.71073","MoKα","","0.0334","0.0184","","","0.0395","0.045","","","","","","1.09","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325897","19.1568","0.0008","19.1568","0.0008","18.3956","0.001","90","","90","","90","","6750.9","0.5","133","2","133","2","","","","","","","","6","P 41","P 4w","76","","","","- C45 H60 Cu5 N13 O19 Tm -","- C45 H50 Cu5 N13 O29.5 Tm -","- C180 H200 Cu20 N52 O118 Tm4 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0415","0.0351","","","0.098","0.1038","","","","","","1.097","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325898","15.2671","0.0002","15.2671","0.0001","48.4117","0.0006","90","0.0007","90","0.0004","120","0.0005","9772.24","0.19","158","2","158","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C90 H100 Cu10 La2 N25 O57.5 -","- C90 H100 Cu10 La2 N25 O57.5 -","- C270 H300 Cu30 La6 N75 O172.5 -","3","0.5","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0559","0.0541","","","0.1228","0.1239","","","","","","1.215","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325899","15.251","0.003","15.251","0.003","48.494","0.019","90","","90","","120","","9768","5","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C45 H76 Ce Cu5 N13 O32 -","- C45 H50 Ce Cu5 N13 O32 -","- C270 H300 Ce6 Cu30 N78 O192 -","6","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0655","0.0617","","","0.1331","0.1347","","","","","","1.25","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325900","15.2231","0.0008","15.2231","0.0008","48.402","0.006","90","","90","","120","","9714","1.4","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C90 H154 Cu10 N24 O61 Pr2 -","- C90 H100 Cu10 N24 O61 Pr2 -","- C270 H300 Cu30 N72 O183 Pr6 -","3","0.5","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0546","0.0462","","","0.1152","0.1193","","","","","","1.037","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325901","27.1588","0.0016","14.8506","0.0009","33.574","0.002","90","","92.551","0.001","90","","13527.8","1.4","158","2","158","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C45 H67.5 Cu5 N11.5 Nd O24 -","- C45 H50 Cu5 N10.5 Nd O14.75 -","- C360 H400 Cu40 N84 Nd8 O118 -","8","2","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0883","0.078","","","0.1886","0.1949","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325902","27.641","0.003","14.7967","0.0016","33.094","0.004","90","","93.399","0.004","90","","13511","3","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C45 H76.5 Cu5 Gd N11.5 O25.5 -","- C45 H50 Cu5 Gd N11.5 O25.5 -","- C360 H400 Cu40 Gd8 N92 O204 -","8","2","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.098","0.079","","","0.1969","0.22","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325903","27.576","0.004","14.7856","0.0019","33.262","0.004","90","","93.557","0.002","90","","13536","3","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C90 H129 Cu10 N22 O53 Y2 -","- C90 H100 Cu10 N22 O52.25 Y2 -","- C360 H400 Cu40 N88 O209 Y8 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0818","0.0643","","","0.1843","0.193","","","","","","1.053","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325904","24.619","0.004","35.302","0.006","14.764","0.003","90","0.006","90","0.007","90","0.008","12831","4","158","2","158","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C90 H130 Cu10 Eu2 N24 O48 -","- C90 H100 Cu10 Eu2 N24 O48.75 -","- C360 H400 Cu40 Eu8 N96 O195 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0925","0.0663","","","0.1807","0.204","","","","","","1.082","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325905","24.625","0.003","35.222","0.005","14.733","0.002","90","","90","","90","","12779","3","158","2","158","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C91 H130 Cu10 N24 O47 Tb2 -","- C91 H103 Cu10 N23.75 O45.75 Tb2 -","- C364 H412 Cu40 N95 O183 Tb8 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0929","0.0679","","","0.1726","0.1957","","","","","","1.063","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325906","24.632","0.004","35.158","0.007","14.721","0.002","90","","90","","90","","12749","4","118","2","118","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C90 H121 Cu10 Dy2 N25 O46 -","- C90 H101 Cu10 Dy2 N24.25 O44 -","- C360 H404 Cu40 Dy8 N97 O176 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0773","0.0573","","","0.1476","0.1616","","","","","","1.054","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325907","24.518","0.007","35.119","0.009","14.606","0.004","90","","90","","90","","12576","6","158","2","158","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C90 H100 Cu10 Ho2 N26 O38 -","- C91.5 H100 Cu10 Ho2 N23.25 O44.75 -","- C366 H400 Cu40 Ho8 N93 O179 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0891","0.0775","","","0.1884","0.1974","","","","","","1.074","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325908","24.591","0.004","29.558","0.005","34.929","0.006","90","","90","","90","","25389","7","108","2","108","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C180 H264 Cu20 Er4 N52 O108 -","- C180 H200 Cu20 Er4 N51.54 O107.52 -","- C720 H800 Cu80 Er16 N206.16 O430.08 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0753","0.0506","","","0.12","0.132","","","","","","1.04","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325909","19.31","0.002","19.31","0.002","18.33","0.003","90","","90","","90","","6834.8","1.5","133","2","133","2","","","","","","","","6","P 41","P 4w","76","","","","- C45 H67 Cu5 N12 O25 Sm -","- C45 H50 Cu5 N12 O24 Sm -","- C180 H200 Cu20 N48 O96 Sm4 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0656","0.056","","","0.1543","0.1622","","","","","","1.061","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325910","19.253","0.003","19.253","0.003","18.313","0.004","90","","90","","90","","6788","2","133","2","133","2","","","","","","","","6","P 43","P 4cw","78","","","","- C45 H74 Cu5 N13 O31 Sm -","- C45 H50 Cu5 N12 O24 Sm -","- C180 H200 Cu20 N48 O96 Sm4 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0446","0.0387","","","0.1025","0.1054","","","","","","1.084","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325911","19.16","0.003","18.454","0.002","19.596","0.003","90","","92.228","0.006","90","","6923.5","1.7","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H70.5 Cu5 N11.5 O25.5 Sm -","- C45 H50 Cu5 N11.5 O19.75 Sm -","- C180 H200 Cu20 N46 O79 Sm4 -","4","2","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.1033","0.0765","","","0.2009","0.2197","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325912","19.2559","0.0012","19.2559","0.0012","18.367","0.002","90","","90","","90","","6810.3","1","118","2","118","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H75 Cu5 Eu N12 O28 -","- C46 H52 Cu5 Eu N12 O28 -","- C184 H208 Cu20 Eu4 N48 O112 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0471","0.0424","","","0.1143","0.1174","","","","","","1.085","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325913","19.246","0.0017","19.246","0.0017","18.373","0.003","90","","90","","90","","6805.5","1.4","118","2","118","2","","","","","","","","6","P 41","P 4w","76","","","","- C45 H62 Cu5 Gd N13 O29 -","- C45 H50 Cu5 Gd N13 O28.5 -","- C180 H200 Cu20 Gd4 N52 O114 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0489","0.0439","","","0.1326","0.1371","","","","","","1.124","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325914","19.2377","0.0014","19.2377","0.0014","18.325","0.003","90","","90","","90","","6781.9","1.3","118","2","118","2","","","","","","","","6","P 43","P 4cw","78","","","","- C46 H73 Cu5 Gd N12 O27 -","- C46 H52 Cu5 Gd N12 O25 -","- C184 H208 Cu20 Gd4 N48 O100 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0413","0.0368","","","0.0964","0.099","","","","","","1.093","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325915","19.2036","0.0014","19.2036","0.0014","18.33","0.003","90","","90","","90","","6759.7","1.3","118","2","118","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H73 Cu5 Dy N12 O27 -","- C46 H53 Cu5 Dy N12 O33 -","- C184 H212 Cu20 Dy4 N48 O132 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0354","0.0317","","","0.09","0.0924","","","","","","1.117","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325916","19.244","0.002","19.244","0.002","18.344","0.003","90","","90","","90","","6793.4","1.5","158","2","158","2","","","","","","","","6","P 41","P 4w","76","","","","- C45 H67 Cu5 Ho N12 O25 -","- C45 H50 Cu5 Ho N12 O26 -","- C180 H200 Cu20 Ho4 N48 O104 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0577","0.0497","","","0.1286","0.1351","","","","","","1.105","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325917","13.288","0.01","20.967","0.017","20.419","0.016","90","","99.613","0.01","90","","5609","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H87 Li2 Mg N4 Si2 -","- C55 H87 Li2 Mg N4 Si2 -","- C220 H348 Li8 Mg4 N16 Si8 -","4","1","","Dongming Yang; Yuqiang Ding; Haishun Wu; Wenjun Zheng","Synthesis and Structural Characterization of Alkaline-Earth-Metal Bis(amido)silane and Lithium Oxobis(aminolato)silane Complexes","Inorganic Chemistry","2011","50","","7698","7706","10.1021/ic200748z","","","0.71073","MoKα","","0.1342","0.0639","","","0.1629","0.192","","","","","","0.92","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325918","22.773","0.003","10.1659","0.0012","19.218","0.002","90","","113.359","0.002","90","","4084.5","0.8","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H64 Ca N2 O3 Si -","- C38 H64 Ca N2 O3 Si -","- C152 H256 Ca4 N8 O12 Si4 -","4","1","","Dongming Yang; Yuqiang Ding; Haishun Wu; Wenjun Zheng","Synthesis and Structural Characterization of Alkaline-Earth-Metal Bis(amido)silane and Lithium Oxobis(aminolato)silane Complexes","Inorganic Chemistry","2011","50","","7698","7706","10.1021/ic200748z","","","0.71073","MoKα","","0.0969","0.0556","","","0.1338","0.1601","","","","","","1.038","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325919","8.831","0.003","22.7","0.007","16.076","0.005","90","","91.455","0.004","90","","3221.6","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N2 O Si Sr -","- C30 H48 N2 O Si Sr -","- C120 H192 N8 O4 Si4 Sr4 -","4","1","","Dongming Yang; Yuqiang Ding; Haishun Wu; Wenjun Zheng","Synthesis and Structural Characterization of Alkaline-Earth-Metal Bis(amido)silane and Lithium Oxobis(aminolato)silane Complexes","Inorganic Chemistry","2011","50","","7698","7706","10.1021/ic200748z","","","0.71073","MoKα","","0.0825","0.0596","","","0.1724","0.1875","","","","","","0.939","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325920","10.606","0.003","10.127","0.003","22.487","0.006","90","","108.854","0.012","90","","2285.7","1.1","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H36 Ba0.5 N O2 Si0.5 -","- C21 H36 Ba0.5 N O2 Si0.5 -","- C84 H144 Ba2 N4 O8 Si2 -","4","1","","Dongming Yang; Yuqiang Ding; Haishun Wu; Wenjun Zheng","Synthesis and Structural Characterization of Alkaline-Earth-Metal Bis(amido)silane and Lithium Oxobis(aminolato)silane Complexes","Inorganic Chemistry","2011","50","","7698","7706","10.1021/ic200748z","","","0.71073","MoKα","","0.053","0.0434","","","0.1026","0.1068","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325921","12.9987","0.0012","14.2883","0.0013","19.3868","0.0018","100.68","0.001","101.062","0.001","96.146","0.001","3434.4","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H102 Br2 Li6 N2 O10 Si6 -","- C52 H102 Br2 Li6 N2 O10 Si6 -","- C104 H204 Br4 Li12 N4 O20 Si12 -","2","1","","Dongming Yang; Yuqiang Ding; Haishun Wu; Wenjun Zheng","Synthesis and Structural Characterization of Alkaline-Earth-Metal Bis(amido)silane and Lithium Oxobis(aminolato)silane Complexes","Inorganic Chemistry","2011","50","","7698","7706","10.1021/ic200748z","","","0.71073","MoKα","","0.0377","0.0282","","","0.0727","0.079","","","","","","1.041","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325922","10.8212","0.0004","13.0664","0.0004","20.2479","0.0006","105.984","0.003","101.401","0.003","101.061","0.003","2604.17","0.17","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H86 N4 O6 P4 Y2 -","- C38 H86 N4 O6 P4 Y2 -","- C76 H172 N8 O12 P8 Y4 -","2","1","","Rachel H. Platel; Andrew J. P. White; Charlotte K. Williams","Bis(phosphinic)diamido Yttrium Amide, Alkoxide, and Aryloxide Complexes: An Evaluation of Lactide Ring-Opening Polymerization Initiator Efficiency","Inorganic Chemistry","2011","50","","7718","7728","10.1021/ic200773x","","","1.54184","CuKα","","0.055","0.0436","","","0.1163","0.1241","","","","","","1.033","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325923","10.6303","0.0004","19.9955","0.0007","15.6431","0.0006","90","","94.722","0.003","90","","3313.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H116 N4 O6 P4 Y2 -","- C56 H116 N4 O6 P4 Y2 -","- C112 H232 N8 O12 P8 Y4 -","2","0.5","","Rachel H. Platel; Andrew J. P. White; Charlotte K. Williams","Bis(phosphinic)diamido Yttrium Amide, Alkoxide, and Aryloxide Complexes: An Evaluation of Lactide Ring-Opening Polymerization Initiator Efficiency","Inorganic Chemistry","2011","50","","7718","7728","10.1021/ic200773x","","","0.71073","MoKα","","0.0574","0.0379","","","0.0919","0.0949","","","","","","0.949","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325924","9.2957","0.0005","16.0961","0.0006","17.2103","0.0009","106.581","0.005","105.399","0.004","104.772","0.004","2221.7","0.2","150","0.2","150","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H72 F3 Fe N4 O4 S Si2 -","- C35 H72 F3 Fe N4 O4 S Si2 -","- C70 H144 F6 Fe2 N8 O8 S2 Si4 -","2","1","","Zhi Cao; William P. Forrest; Yang Gao; Phillip E. Fanwick; Yang Zhang; Tong Ren","New Iron(III) Bis(acetylide) Compounds Based on the Iron Cyclam Motif","Inorganic Chemistry","2011","50","","7364","7366","10.1021/ic200836v","","","1.54184","CU-Kα","","0.053","0.051","","","0.14","0.143","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4325925","13.6111","0.0006","14.6217","0.0007","21.6738","0.001","88.358","0.002","87.626","0.002","82.321","0.002","4269.9","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H61 Cr Mn3 N2 O14 P4 S2 -","- C86 H61 Cr Mn3 N2 O14 P4 S2 -","- C172 H122 Cr2 Mn6 N4 O28 P8 S4 -","2","1","","Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen","Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies","Inorganic Chemistry","2011","50","","7735","7748","10.1021/ic200885h","","","0.71073","MoKα","","0.1334","0.0571","","","0.1329","0.1843","","","","","","0.972","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325926","19.3174","0.0003","24.2509","0.0004","26.8237","0.0001","90","","90","","90","","12565.9","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C62 H41 Cr Mn3 O14 P2 Se2 -","- C62 H41 Cr Mn3 O14 P2 Se2 -","- C496 H328 Cr8 Mn24 O112 P16 Se16 -","8","1","","Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen","Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies","Inorganic Chemistry","2011","50","","7735","7748","10.1021/ic200885h","","","0.71073","MoKα","","0.1178","0.0554","","","0.0807","0.0989","","","","","","1.086","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325927","12.2105","0.0004","13.2732","0.0004","16.8203","0.0006","68.679","0.002","85.157","0.002","88.312","0.001","2530.46","0.15","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H44 Cl2 Cr Mn3 N3 O12 S2 -","- C43 H44 Cl2 Cr Mn3 N3 O12 S2 -","- C86 H88 Cl4 Cr2 Mn6 N6 O24 S4 -","2","1","","Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen","Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies","Inorganic Chemistry","2011","50","","7735","7748","10.1021/ic200885h","","","0.71073","MoKα","","0.1198","0.0666","","","0.1562","0.1922","","","","","","0.864","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325928","13.2857","0.0001","20.3204","0.0002","35.379","0.0004","90","","90","","90","","9551.29","0.16","200","2","200","2","","","","","","","","8","P c a n","-P 2n 2c","60","","","","- C85 H98 Cl2 Cr2 Mn6 N6 O24 Se4 -","- C85 H96 Cl2 Cr2 Mn6 N6 O24 Se4 -","- C340 H384 Cl8 Cr8 Mn24 N24 O96 Se16 -","4","0.5","","Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen","Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies","Inorganic Chemistry","2011","50","","7735","7748","10.1021/ic200885h","","","0.71073","MoKα","","0.0595","0.0402","","","0.1013","0.1127","","","","","","1.1","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325929","14.5057","0.0016","15.0176","0.0016","23.78","0.003","79.726","0.008","83.814","0.007","64.256","0.006","4588.6","0.9","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H61 Cr2 Mn3 N2 O19 P4 S2 -","- C91 H61 Cr2 Mn3 N2 O19 P4 S2 -","- C182 H122 Cr4 Mn6 N4 O38 P8 S4 -","2","1","","Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen","Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies","Inorganic Chemistry","2011","50","","7735","7748","10.1021/ic200885h","","","0.71073","MoKα","","0.2791","0.1211","","","0.2948","0.3845","","","","","","1.043","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325930","14.3443","0.0011","14.8455","0.001","23.4938","0.0017","79.085","0.004","83.113","0.004","64.752","0.003","4438.9","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H61 Cr2 Mn3 N2 O19 P4 Se2 -","- C91 H61 Cr2 Mn3 N2 O19 P4 Se2 -","- C182 H122 Cr4 Mn6 N4 O38 P8 Se4 -","2","1","","Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen","Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies","Inorganic Chemistry","2011","50","","7735","7748","10.1021/ic200885h","","","0.71073","MoKα","","0.1367","0.0651","","","0.1119","0.1346","","","","","","1.072","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325931","15.4151","0.0008","14.7704","0.0008","23.7057","0.0012","90","","104.561","0.002","90","","5224.1","0.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 Cl2 N21 O28 Sm -","- C30 H30 Cl2 N21 O15 Sm -","- C120 H120 Cl8 N84 O60 Sm4 -","4","1","","Kai Chen; Li-Li Liang; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Novel Supramolecular Assemblies Based on Coordination of Samarium Cation to Cucurbit[5]uril","Inorganic Chemistry","2011","50","","7754","7760","10.1021/ic200902g","","","0.71073","MoKα","","0.0449","0.039","","","0.1118","0.1149","","","","","","1.096","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325932","13.955","0.004","14.408","0.004","34.004","0.01","95.933","0.003","96.422","0.003","118.848","0.003","5853","3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H140 Cl9 N40 O65 Sm3 -","- C60 H60 Cl9 N40 O30 Sm3 -","- C120 H120 Cl18 N80 O60 Sm6 -","2","1","","Kai Chen; Li-Li Liang; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Novel Supramolecular Assemblies Based on Coordination of Samarium Cation to Cucurbit[5]uril","Inorganic Chemistry","2011","50","","7754","7760","10.1021/ic200902g","","","0.71073","MoKα","","0.0601","0.0425","","","0.0982","0.1035","","","","","","0.925","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325933","15.278","0.004","23.987","0.006","14.607","0.003","90","","90","","90","","5353","2","223","2","223","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C60 H122 Cl8 N42 Ni O56 Sm2 -","- C60 H60 Cl8 N42 Ni O44 Sm2 -","- C120 H120 Cl16 N84 Ni2 O88 Sm4 -","2","0.25","","Kai Chen; Li-Li Liang; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Novel Supramolecular Assemblies Based on Coordination of Samarium Cation to Cucurbit[5]uril","Inorganic Chemistry","2011","50","","7754","7760","10.1021/ic200902g","","","0.71073","MoKα","","0.0398","0.0356","","","0.1024","0.1049","","","","","","1.034","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325934","20.855","0.003","19.54","0.003","26.642","0.004","90","","112.022","0.004","90","","10065","3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H118 Cl4 N45 O64 Sm3 -","- C60 H60 Cl4 N45 O43 Sm3 -","- C240 H240 Cl16 N180 O172 Sm12 -","4","1","","Kai Chen; Li-Li Liang; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Novel Supramolecular Assemblies Based on Coordination of Samarium Cation to Cucurbit[5]uril","Inorganic Chemistry","2011","50","","7754","7760","10.1021/ic200902g","","","0.71073","MoKα","","0.1073","0.1002","","","0.277","0.2814","","","","","","1.05","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325935","15.273","0.002","21.836","0.003","16.089","0.002","90","","101.622","0.004","90","","5255.7","1.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 N46 O59 Sm2 -","- C66 H66 N46 O51 Sm2 -","- C132 H132 N92 O102 Sm4 -","2","0.5","","Kai Chen; Li-Li Liang; Yun-Qian Zhang; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Novel Supramolecular Assemblies Based on Coordination of Samarium Cation to Cucurbit[5]uril","Inorganic Chemistry","2011","50","","7754","7760","10.1021/ic200902g","","","0.71073","MoKα","","0.0546","0.0474","","","0.1385","0.1426","","","","","","1.077","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325936","5.8563","0.0013","7.9937","0.0018","15.6392","0.0034","100.984","0.0012","93.4023","0.0012","92.1888","0.0013","716.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 B2 Ca O6 -","- C12 H16 B2 Ca O6 -","- C24 H32 B4 Ca2 O12 -","2","1","","Marc Reinholdt; Jonas Croissant; Lidia Di Carlo; Dominique Granier; Philippe Gaveau; Sylvie Bégu; Jean-Marie Devoisselle; P. Hubert Mutin; Mark E. Smith; Christian Bonhomme; Christel Gervais; Arie van der Lee; Danielle Laurencin","Synthesis and Characterization of Crystalline Structures Based on Phenylboronate Ligands Bound to Alkaline Earth Cations","Inorganic Chemistry","2011","50","","7802","7810","10.1021/ic200961a","powder diffraction","x-ray","0.999874","synchrotron","","","","","","","","","","7.225","","","","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325937","6.21861","0.00017","7.9567","0.0002","30.7635","0.0011","90","","92.783","0.003","90","","1520.37","0.08","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B2 O7 Sr -","- C12 H18 B2 O7 Sr -","- C48 H72 B8 O28 Sr4 -","4","1","","Marc Reinholdt; Jonas Croissant; Lidia Di Carlo; Dominique Granier; Philippe Gaveau; Sylvie Bégu; Jean-Marie Devoisselle; P. Hubert Mutin; Mark E. Smith; Christian Bonhomme; Christel Gervais; Arie van der Lee; Danielle Laurencin","Synthesis and Characterization of Crystalline Structures Based on Phenylboronate Ligands Bound to Alkaline Earth Cations","Inorganic Chemistry","2011","50","","7802","7810","10.1021/ic200961a","","","0.71073","MoKα","","0.1007","0.0927","","0.0657","0.064","0.064","","","","","","0.9808","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325938","11.9371","0.0003","11.9371","0.0003","27.5221","0.0017","90","","90","","120","","3396.3","0.2","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu15.09 S7.91 Te3.09 -","- Ba3 Cu15.085 S7.915 Te3.085 -","- Ba18 Cu90.51 S47.49 Te18.51 -","6","0.166667","","Bryan A. Kuropatwa; Abdeljalil Assoud; Holger Kleinke","Crystal Structure and Physical Properties of the New Chalcogenides Ba3Cu17-x(S,Te)11 and Ba3Cu17-x(S,Te)11.5 with Two Different Cu Clusters","Inorganic Chemistry","2011","50","","7831","7837","10.1021/ic200984q","","","0.71073","MoKα","","0.0579","0.0536","","","0.1027","0.1045","","","","","","1.23","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325939","12.0091","0.001","12.0091","0.001","27.764","0.002","90","","90","","120","","3467.6","0.5","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu15.7 S7.05 Te3.95 -","- Ba3 Cu15.697 S7.051 Te3.949 -","- Ba18 Cu94.182 S42.306 Te23.694 -","6","0.166667","","Bryan A. Kuropatwa; Abdeljalil Assoud; Holger Kleinke","Crystal Structure and Physical Properties of the New Chalcogenides Ba3Cu17-x(S,Te)11 and Ba3Cu17-x(S,Te)11.5 with Two Different Cu Clusters","Inorganic Chemistry","2011","50","","7831","7837","10.1021/ic200984q","","","0.71073","MoKα","","0.0199","0.0162","","","0.0272","0.0283","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325940","17.2095","0.0008","17.2095","0.0008","17.2095","0.0008","90","","90","","90","","5096.9","0.4","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba3 Cu15.61 S5.32 Te6.18 -","- Ba3 Cu15.62 S5.315 Te6.1725 -","- Ba24 Cu124.96 S42.52 Te49.38 -","8","0.0416667","","Bryan A. Kuropatwa; Abdeljalil Assoud; Holger Kleinke","Crystal Structure and Physical Properties of the New Chalcogenides Ba3Cu17-x(S,Te)11 and Ba3Cu17-x(S,Te)11.5 with Two Different Cu Clusters","Inorganic Chemistry","2011","50","","7831","7837","10.1021/ic200984q","","","0.71073","MoKα","","0.0277","0.0272","","","0.0734","0.0737","","","","","","1.159","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325941","17.2364","0.0004","17.2364","0.0004","17.2364","0.0004","90","","90","","90","","5120.8","0.2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba3 Cu16.04 S4.45 Te7.05 -","- Ba3 Cu16.044 S4.46 Te7.0555 -","- Ba24 Cu128.352 S35.68 Te56.444 -","8","0.0416667","","Bryan A. Kuropatwa; Abdeljalil Assoud; Holger Kleinke","Crystal Structure and Physical Properties of the New Chalcogenides Ba3Cu17-x(S,Te)11 and Ba3Cu17-x(S,Te)11.5 with Two Different Cu Clusters","Inorganic Chemistry","2011","50","","7831","7837","10.1021/ic200984q","","","0.71073","MoKα","","0.0287","0.0287","","","0.0544","0.0544","","","","","","1.336","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325942","14.7387","0.0004","14.892","0.0004","16.5865","0.0004","71.796","0.002","82.316","0.002","63.118","0.002","3084.51","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H170 B4 Mn4 N8 O16 -","- C136 H170 B4 Mn4 N8 O16 -","- C136 H170 B4 Mn4 N8 O16 -","1","0.5","","Katie J. Heroux; Hajrah M. Quddussi; Junjie Liu; James R. O'Brien; Motohiro Nakano; Enrique del Barco; Stephen Hill; David N. Hendrickson","Cationic Mn4 Single-Molecule Magnet with a Sterically Isolated Core","Inorganic Chemistry","2011","50","","7367","7369","10.1021/ic201017r","","","1.54178","CuKα","","0.0602","0.0426","","","0.1001","0.1097","","","","","","1.022","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4325943","12.5484","0.0004","19.6001","0.0006","20.2006","0.0009","86.074","0.003","77.914","0.003","80.074","0.003","4782.8","0.3","140","1","140","1","","","","","","","","5","P -1","-P 1","2","Compound 1","","","- C102 H130 N4 O8 V2 -","- C102.95 H128 N3.6 O8 V2 -","- C205.9 H256 N7.2 O16 V4 -","2","1","","Lucy Clowes; Carl Redshaw; David L. Hughes","Vanadium-Based Pro-Catalysts Bearing Depleted 1,3-Calix[4]arenes for Ethylene or ε-Caprolactone Polymerization","Inorganic Chemistry","2011","50","","7838","7845","10.1021/ic2010198","","","0.71073","Mo-Kα","","0.1215","0.0472","","","0.0785","0.0875","","","","","","0.755","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325944","12.0454","0.0003","13.2444","0.0002","19.3366","0.0004","101.504","0.0012","103.09","0.0009","102.223","0.0011","2835.69","0.1","120","2","120","2","","","","","","","","5","P 1","P 1","1","Compound 2","","","- C120 H154 N8 O6 V2 -","- C119.849 H153.547 N8 O6 V2 -","- C119.849 H153.547 N8 O6 V2 -","1","1","","Lucy Clowes; Carl Redshaw; David L. Hughes","Vanadium-Based Pro-Catalysts Bearing Depleted 1,3-Calix[4]arenes for Ethylene or ε-Caprolactone Polymerization","Inorganic Chemistry","2011","50","","7838","7845","10.1021/ic2010198","","","0.71073","MoKα","","0.0778","0.0685","","","0.1468","0.1541","","","","","","1.136","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325945","12.1955","0.0008","27.1953","0.0019","50.486","0.004","78.5872","0.0014","83.26","0.002","81.467","0.002","16164","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Compound 3","","","- C352 H453 N17 O18 V6 -","- C353 H447 N16 O18 V6 -","- C706 H894 N32 O36 V12 -","2","1","","Lucy Clowes; Carl Redshaw; David L. Hughes","Vanadium-Based Pro-Catalysts Bearing Depleted 1,3-Calix[4]arenes for Ethylene or ε-Caprolactone Polymerization","Inorganic Chemistry","2011","50","","7838","7845","10.1021/ic2010198","","","0.71073","MoKα","","0.2997","0.1683","","","0.2889","0.3417","","","","","","1.023","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325946","12.3632","0.0007","21.7638","0.001","19.9295","0.0012","90","","106.105","0.006","90","","5152","0.5","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 4","","","- C104 H142 N2 O14 V4 -","- C104 H142 N2 O14 V4 -","- C208 H284 N4 O28 V8 -","2","0.5","","Lucy Clowes; Carl Redshaw; David L. Hughes","Vanadium-Based Pro-Catalysts Bearing Depleted 1,3-Calix[4]arenes for Ethylene or ε-Caprolactone Polymerization","Inorganic Chemistry","2011","50","","7838","7845","10.1021/ic2010198","","","0.71073","Mo-Kα","","0.141","0.0663","","","0.1387","0.156","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325947","31.4376","0.0007","20.7506","0.0007","17.3623","0.0005","90","","116.895","0.002","90","","10101.2","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H57 N9 O18 Tb -","- C39 H45 N9 O18 Tb -","- C312 H360 N72 O144 Tb8 -","8","1","","Eugenio Coronado; Carlos Giménez-Saiz; Alejandro Recuenco; Ana Tarazón; Francisco M. Romero; Agustín Camón; Fernando Luis","Single-Molecule Magnetic Behavior in a Neutral Terbium(III) Complex of a Picolinate-Based Nitronyl Nitroxide Free Radical","Inorganic Chemistry","2011","50","","7370","7372","10.1021/ic2010425","","","0.71073","MoKα","","0.1171","0.0634","","","0.177","0.2536","","","","","","1.023","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325948","10.926","0.002","15.241","0.003","22.931","0.005","88.87","0.03","78.41","0.03","70.49","0.03","3521.3","1.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H110 Al N4 O3 Sm -","- C77 H96 Al N4 O3 Sm -","- C154 H192 Al2 N8 O6 Sm2 -","2","1","","Jingjun Hao; Jianfeng Li; Chunming Cui; Herbert W. Roesky","Synthesis and Characterization of Heterobimetallic Oxo-Bridged Aluminum-Rare Earth Metal Complexes","Inorganic Chemistry","2011","50","","7453","7459","10.1021/ic2010584","","","0.71073","MoKα","","0.0649","0.0572","","","0.1482","0.1562","","","","","","1.092","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325949","10.4948","0.0004","18.2644","0.0008","21.1763","0.0008","90","","94.849","0.003","90","","4044.6","0.3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H64 N2 O2 Si2 Y -","- C37 H64 N2 O2 Si2 Y -","- C148 H256 N8 O8 Si8 Y4 -","4","1","","Jingjun Hao; Jianfeng Li; Chunming Cui; Herbert W. Roesky","Synthesis and Characterization of Heterobimetallic Oxo-Bridged Aluminum-Rare Earth Metal Complexes","Inorganic Chemistry","2011","50","","7453","7459","10.1021/ic2010584","","","0.7107","MoKα","","0.0833","0.0577","","","0.1221","0.1328","","","","","","1.065","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325950","40.13","0.008","18.8","0.004","19.107","0.004","90","","90","","90","","14415","5","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H106 Al N4 O3 Si Sm -","- C78 H106 Al N4 O3 Si Sm -","- C624 H848 Al8 N32 O24 Si8 Sm8 -","8","1","","Jingjun Hao; Jianfeng Li; Chunming Cui; Herbert W. Roesky","Synthesis and Characterization of Heterobimetallic Oxo-Bridged Aluminum-Rare Earth Metal Complexes","Inorganic Chemistry","2011","50","","7453","7459","10.1021/ic2010584","","","0.71073","MoKα","","0.1019","0.0652","","","0.1517","0.1695","","","","","","1.034","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325951","34.478","0.002","15.155","0.001","36.22","0.002","90","","90.877","0.005","90","","18923","2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C144 H218 Cl12 Cu8 Gd4 N16 O29 -","- C144 H218 Cl12 Cu8 Gd4 N16 O29 -","- C576 H872 Cl48 Cu32 Gd16 N64 O116 -","4","0.5","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Wolfgang Wernsdorfer; Dominique Luneau","Benzoxazole-Based Heterometallic Dodecanuclear Complex [DyIII4CuII8] with Single-Molecule-Magnet Behavior","Inorganic Chemistry","2011","50","","7373","7375","10.1021/ic201070n","","","1.5418","CuKα","","0.0888","0.0684","","0.1908","0.1563","0.1908","","","","","","0.9538","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325952","34.433","0.005","15.348","0.002","36.227","0.003","90","","90.59","0.01","90","","19144","4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C144 H218 Cl12 Cu8 N16 O29 Y4 -","- C144 H218 Cl12 Cu8 N16 O29 Y4 -","- C576 H872 Cl48 Cu32 N64 O116 Y16 -","4","0.5","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Wolfgang Wernsdorfer; Dominique Luneau","Benzoxazole-Based Heterometallic Dodecanuclear Complex [DyIII4CuII8] with Single-Molecule-Magnet Behavior","Inorganic Chemistry","2011","50","","7373","7375","10.1021/ic201070n","","","0.7107","MoKα","","0.1454","0.0804","","0.2526","0.1605","0.2526","","","","","","0.9976","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325953","34.386","0.002","15.202","0.0007","36.121","0.001","90","","90.893","0.004","90","","18879.5","1.5","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C144 H218 Cl12 Cu8 Dy4 N16 O29 -","- C144 H218 Cl12 Cu8 Dy4 N16 O29 -","- C576 H872 Cl48 Cu32 Dy16 N64 O116 -","4","0.5","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Wolfgang Wernsdorfer; Dominique Luneau","Benzoxazole-Based Heterometallic Dodecanuclear Complex [DyIII4CuII8] with Single-Molecule-Magnet Behavior","Inorganic Chemistry","2011","50","","7373","7375","10.1021/ic201070n","","","1.5418","CuKα","","0.0935","0.0732","","0.1955","0.1678","0.1955","","","","","","1.0134","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325954","22.313","0.003","18.798","0.003","12.0022","0.0016","90","","90","","90","","5034.2","1.2","293","2","293","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C8 H18 Cu4 K3 N2 Na O50 Si W9 -","- C8 H18 Cu4 K3 N2 Na O50 Si W9 -","- C32 H72 Cu16 K12 N8 Na4 O200 Si4 W36 -","4","0.5","","Guillaume Rousseau; Olivier Oms; Anne Dolbecq; Jérôme Marrot; Pierre Mialane","Route for the Elaboration of Functionalized Hybrid 3d-Substituted Trivacant Keggin Anions","Inorganic Chemistry","2011","50","","7376","7378","10.1021/ic2011088","","","0.71073","MoKα","","0.0871","0.0622","","","0.1497","0.1588","","","","","","0.965","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4325955","13.9971","0.0017","14.5785","0.0018","14.7621","0.0019","97.325","0.005","98.477","0.005","100.96","0.005","2887.3","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C6 H14 Co4.75 K2.5 N2 O55 Si W9 -","- C6 H14 Co4.75 K2.5 N2 O55.03 Si W9 -","- C12 H28 Co9.5 K5 N4 O110.06 Si2 W18 -","2","1","","Guillaume Rousseau; Olivier Oms; Anne Dolbecq; Jérôme Marrot; Pierre Mialane","Route for the Elaboration of Functionalized Hybrid 3d-Substituted Trivacant Keggin Anions","Inorganic Chemistry","2011","50","","7376","7378","10.1021/ic2011088","","","0.71073","MoKα","","0.0549","0.0458","","","0.1215","0.1418","","","","","","1.215","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325956","12.3039","0.0003","19.2841","0.0004","13.9852","0.0003","90","","91.804","0.001","90","","3316.62","0.13","296","2","296","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C18 H15 K7 Na Ni4 O53 S3 Si W9 -","- C18 H15 K7 Na Ni4 O53 S3 Si W9 -","- C36 H30 K14 Na2 Ni8 O106 S6 Si2 W18 -","2","1","","Guillaume Rousseau; Olivier Oms; Anne Dolbecq; Jérôme Marrot; Pierre Mialane","Route for the Elaboration of Functionalized Hybrid 3d-Substituted Trivacant Keggin Anions","Inorganic Chemistry","2011","50","","7376","7378","10.1021/ic2011088","","","0.71073","MoKα","","0.0351","0.032","","","0.0724","0.0742","","","","","","1.049","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325957","12.5203","0.0013","28.513","0.003","37.719","0.004","85.291","0.004","81.552","0.005","87.936","0.004","13270","2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H36 K24.75 Na1.75 Ni17.5 O219 Si4 W36 -","- C30 H36 K24.75 Na1.75 Ni17.5 O219 Si4 W36 -","- C60 H72 K49.5 Na3.5 Ni35 O438 Si8 W72 -","2","1","","Guillaume Rousseau; Olivier Oms; Anne Dolbecq; Jérôme Marrot; Pierre Mialane","Route for the Elaboration of Functionalized Hybrid 3d-Substituted Trivacant Keggin Anions","Inorganic Chemistry","2011","50","","7376","7378","10.1021/ic2011088","","","0.71073","MoKα","","0.0938","0.0704","","","0.1578","0.17","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325958","13.3045","0.0003","10.4836","0.00017","19.0693","0.0003","90","","101.125","0.0018","90","","2609.79","0.08","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 Au4 Cl4 N12 P2 -","- C36 H52 Au4 Cl4 N12 P2 -","- C72 H104 Au8 Cl8 N24 P4 -","2","0.5","","Corinna Wetzel; Peter C. Kunz; Indre Thiel; Bernhard Spingler","Gold(I) Catalysts with Bifunctional P, N Ligands","Inorganic Chemistry","2011","50","","7863","7870","10.1021/ic2011259","","","0.7107","MoKα","","0.0638","0.0399","","","0.0914","0.0962","","","","","","1.001","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325959","21.7709","0.0005","52.9615","0.001","10.8215","0.0003","90","","90","","90","","12477.4","0.5","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C41.5 H45.5 Au3 Cl13.5 N4 P2 -","- C41.5 H45 Au3 Cl13.5 N4 P2 -","- C332 H360 Au24 Cl108 N32 P16 -","8","1","","Corinna Wetzel; Peter C. Kunz; Indre Thiel; Bernhard Spingler","Gold(I) Catalysts with Bifunctional P, N Ligands","Inorganic Chemistry","2011","50","","7863","7870","10.1021/ic2011259","","","0.7107","MoKα","","0.0785","0.0416","","","0.1005","0.1064","","","","","","0.933","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325960","18.99","0.002","16.1333","0.0017","15.8462","0.0017","90","","112.345","0.001","90","","4490.3","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cl6 Fe Mo2 N12 -","- C42 H36 Cl6 Fe Mo2 N12 -","- C168 H144 Cl24 Fe4 Mo8 N48 -","4","0.5","","Michael Nippe; Eckhard Bill; John F. Berry","Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds","Inorganic Chemistry","2011","50","","7650","7661","10.1021/ic2011315","","","0.71073","MoKα","","0.0505","0.0344","","","0.0825","0.0943","","","","","","1.053","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325961","16.2","0.003","15.749","0.003","17.034","0.003","90","","98.524","0.002","90","","4297.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Fe Mo2 N12 O -","- C44 H42 Cl2 Fe Mo2 N12 O -","- C176 H168 Cl8 Fe4 Mo8 N48 O4 -","4","1","","Michael Nippe; Eckhard Bill; John F. Berry","Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds","Inorganic Chemistry","2011","50","","7650","7661","10.1021/ic2011315","","","0.71073","MoKα","","0.0333","0.0271","","","0.067","0.0718","","","","","","1.063","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325962","18.9738","0.0017","16.1435","0.0014","15.9095","0.0014","90","","112.823","0.001","90","","4491.6","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cl6 Fe N12 W2 -","- C42 H36 Cl6 Fe N12 W2 -","- C168 H144 Cl24 Fe4 N48 W8 -","4","0.5","","Michael Nippe; Eckhard Bill; John F. Berry","Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds","Inorganic Chemistry","2011","50","","7650","7661","10.1021/ic2011315","","","0.71073","MoKα","","0.0197","0.0179","","","0.0472","0.0488","","","","","","1.058","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325963","12.8753","0.0004","14.0725","0.0004","11.3494","0.0004","90","","90","","90","","2056.37","0.11","100","","100","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cr2 N12 Zn -","- C41 H34 Cl4 Cr2 N12 Zn -","- C82 H68 Cl8 Cr4 N24 Zn2 -","2","0.5","","Michael Nippe; Eckhard Bill; John F. Berry","Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds","Inorganic Chemistry","2011","50","","7650","7661","10.1021/ic2011315","","","0.71073","MoKα","","0.0257","0.0252","","","0.0652","0.0654","","","","","","1.102","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325964","15.9699","0.0007","15.7426","0.0006","17.0017","0.0007","90","","98.37","0.002","90","","4228.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Cr2 N12 O Zn -","- C44 H42 Cl2 Cr2 N12 O Zn -","- C176 H168 Cl8 Cr8 N48 O4 Zn4 -","4","1","","Michael Nippe; Eckhard Bill; John F. Berry","Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds","Inorganic Chemistry","2011","50","","7650","7661","10.1021/ic2011315","","","0.71073","MoKα","","0.0366","0.0322","","","0.0823","0.0849","","","","","","1.118","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325965","12.6107","0.0004","15.2039","0.0005","16.3625","0.0005","62.579","0.001","70.665","0.002","78.582","0.002","2623.8","0.15","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H50 Cl4 Cr2 N12 O2 Zn2 -","- C48 H50 Cl4 Cr2 N12 O2 Zn2 -","- C96 H100 Cl8 Cr4 N24 O4 Zn4 -","2","1","","Michael Nippe; Eckhard Bill; John F. Berry","Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds","Inorganic Chemistry","2011","50","","7650","7661","10.1021/ic2011315","","","0.71073","MoKα","","0.0345","0.0307","","","0.0813","0.0831","","","","","","1.04","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325966","12.6071","0.0005","15.2828","0.0007","16.3291","0.0007","116.321","0.002","98.836","0.002","101.24","0.002","2660.8","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cl4 Cr2 N12 Zn2 -","- C40 H32 Cl4 Cr2 N12 Zn2 -","- C80 H64 Cl8 Cr4 N24 Zn4 -","2","1","","Michael Nippe; Eckhard Bill; John F. Berry","Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of M M...M' Compounds","Inorganic Chemistry","2011","50","","7650","7661","10.1021/ic2011315","","","0.71073","MoKα","","0.0268","0.0227","","","0.0615","0.063","","","","","","1.058","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325967","9.7491","0.0003","19.049","0.0006","21.1424","0.0006","90","","100.078","0.001","90","","3865.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Cl2 N8 Re -","- C45 H39 Cl2 N8 Re -","- C180 H156 Cl8 N32 Re4 -","4","1","","Nanda D. Paul; Subhas Samanta; Tapan K. Mondal; Sreebrata Goswami","Examples of Reductive Azo Cleavage and Oxidative Azo Bond Formation on Re2(CO)10 Template: Isolation and Characterization of Re(III) Complexes of New Azo-Aromatic Ligands","Inorganic Chemistry","2011","50","","7886","7893","10.1021/ic201200r","","","0.71073","MoKα","","0.0709","0.0336","","","0.0635","0.0744","","","","","","0.989","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4325968","10.579","0.006","12.786","0.007","18.829","0.011","94.595","0.014","92.864","0.016","102.871","0.014","2469","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H66 N5 O4 Re -","- C48 H66 N5 O4 Re -","- C96 H132 N10 O8 Re2 -","2","1","","Nanda D. Paul; Subhas Samanta; Tapan K. Mondal; Sreebrata Goswami","Examples of Reductive Azo Cleavage and Oxidative Azo Bond Formation on Re2(CO)10 Template: Isolation and Characterization of Re(III) Complexes of New Azo-Aromatic Ligands","Inorganic Chemistry","2011","50","","7886","7893","10.1021/ic201200r","","","0.71073","MoKα","","0.0888","0.0599","","","0.1475","0.1668","","","","","","1.033","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325969","12.4199","0.0019","9.0921","0.0014","13.818","0.002","90","","102.65","0.005","90","","1522.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cl N3 O3 Re -","- C14 H9 Cl N3 O3 Re -","- C56 H36 Cl4 N12 O12 Re4 -","4","1","","Nanda D. Paul; Subhas Samanta; Tapan K. Mondal; Sreebrata Goswami","Examples of Reductive Azo Cleavage and Oxidative Azo Bond Formation on Re2(CO)10 Template: Isolation and Characterization of Re(III) Complexes of New Azo-Aromatic Ligands","Inorganic Chemistry","2011","50","","7886","7893","10.1021/ic201200r","","","0.71073","MoKα","","0.0601","0.0322","","","0.0622","0.0702","","","","","","1.014","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4325970","21.498","0.0007","14.5527","0.0005","15.8604","0.0005","90","","93.547","0.002","90","","4952.5","0.3","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cr Fe2 O8 P -","- C24 H21 Cr Fe2 O8 P -","- C192 H168 Cr8 Fe16 O64 P8 -","8","2","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","0.71073","MoKα","","0.0472","0.0291","","","0.0553","0.0619","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325971","11.0549","0.001","14.844","0.0012","16.0361","0.0018","109.399","0.008","109.268","0.007","90.931","0.009","2319.6","0.4","120","0.1","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H21 Fe3 O7 P -","- C23 H21 Fe3 O7 P -","- C92 H84 Fe12 O28 P4 -","4","2","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","0.71073","MoKα","","0.0269","0.0219","","","0.0552","0.057","","","","","","1.063","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325972","17.9569","0.0002","17.9569","0.0002","13.6231","0.0002","90","","90","","90","","4392.77","0.09","100","2","100","2","","","","","","","synthesis as described","7","P 42/n :2","-P 4bc","86","","","","- C39 H44 Au2 Cl4 Fe4 O6 P2 -","- C39 H44 Au2 Cl4 Fe4 O6 P2 -","- C156 H176 Au8 Cl16 Fe16 O24 P8 -","4","0.5","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","0.71073","MoKα","","0.0267","0.0223","","","0.0482","0.051","","","","","","1.144","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325973","9.0577","0.0017","11.669","0.002","22.175","0.004","94.591","0.003","99.17","0.003","95.294","0.003","2293.2","0.7","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C43 H46 Cl4 Fe5 O9 P2 -","- C43 H46 Cl4 Fe5 O9 P2 -","- C86 H92 Cl8 Fe10 O18 P4 -","2","1","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","0.71073","MoKα","","0.0793","0.0429","","","0.0843","0.0933","","","","","","1.011","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325974","37.8398","0.0006","37.8398","0.0006","19.7609","0.0004","90","","90","","120","","24503.9","0.7","100","2","100","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","","","","- C46 H44 Cl2 Co2 Fe4 O13 P2 -","- C46 H44 Cl2 Co2 Fe4 O13 P2 -","- C828 H792 Cl36 Co36 Fe72 O234 P36 -","18","1","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","1.54184","CuKα","","0.0753","0.0473","","","0.1014","0.1151","","","","","","1.016","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325975","9.7622","0.0002","18.5003","0.0003","13.3338","0.0002","90","","95.024","0.001","90","","2398.88","0.07","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cr Fe2 O8 P -","- C24 H21 Cr Fe2 O8 P -","- C96 H84 Cr4 Fe8 O32 P4 -","4","1","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","0.71073","MoKα","","0.027","0.0214","","","0.0508","0.053","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325976","11.984","0.0002","13.8562","0.0003","17.5092","0.0004","90","","123.355","0.001","90","","2428.53","0.09","295","2","295","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Fe3 O7 P -","- C23 H21 Fe3 O7 P -","- C92 H84 Fe12 O28 P4 -","4","1","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","1.54184","CuKα","","0.0721","0.0604","","","0.1519","0.1656","","","","","","1.024","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325977","14.0485","0.0002","12.405","0.0002","13.3384","0.0003","90","","90","","90","","2324.5","0.07","120","2","120","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C25 H28 Fe2 Mn O3 P -","- C25 H28 Fe2 Mn O3 P -","- C100 H112 Fe8 Mn4 O12 P4 -","4","0.5","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","1.54184","CuKα","","0.0409","0.035","","","0.087","0.0939","","","","","","1.054","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325978","9.429","0.0004","14.4707","0.0006","16.7495","0.0007","90","","104.523","0.001","90","","2212.35","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 B2 Ca N6 O2 -","- C17 H30 B2 Ca N6 O2 -","- C68 H120 B8 Ca4 N24 O8 -","4","1","","Mark J. Saly; Jing Li; Mary Jane Heeg; Charles H. Winter","Efficient Hydride and Pyrazolyl Redistribution upon Thermolysis of a Calcium Complex Containing Dihydrobis(pyrazolyl)borate Ligands","Inorganic Chemistry","2011","50","","7385","7387","10.1021/ic2012815","","","0.71073","MoKα","","0.0528","0.0367","","","0.0882","0.0952","","","","","","1.031","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325979","11.1854","0.0006","12.819","0.0006","13.8733","0.0007","92.26","0.002","102.222","0.002","105.636","0.002","1862.33","0.16","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H44 B4 Ca2 N12 O2 -","- C26 H44 B4 Ca2 N12 O2 -","- C52 H88 B8 Ca4 N24 O4 -","2","1","","Mark J. Saly; Jing Li; Mary Jane Heeg; Charles H. Winter","Efficient Hydride and Pyrazolyl Redistribution upon Thermolysis of a Calcium Complex Containing Dihydrobis(pyrazolyl)borate Ligands","Inorganic Chemistry","2011","50","","7385","7387","10.1021/ic2012815","","","0.71073","MoKα","","0.1384","0.0694","","","0.1745","0.2048","","","","","","1.043","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325980","14.7469","0.0006","16.0986","0.0006","21.332","0.0008","73.891","0.001","80.423","0.001","85.969","0.001","4796.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H56 B4 Ca2 N12 O12 -","- C30 H56 B4 Ca2 N12 O12 -","- C120 H224 B16 Ca8 N48 O48 -","4","2","","Mark J. Saly; Jing Li; Mary Jane Heeg; Charles H. Winter","Efficient Hydride and Pyrazolyl Redistribution upon Thermolysis of a Calcium Complex Containing Dihydrobis(pyrazolyl)borate Ligands","Inorganic Chemistry","2011","50","","7385","7387","10.1021/ic2012815","","","0.71073","MoKα","","0.1688","0.0812","","","0.22","0.2547","","","","","","1.085","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325981","16.988","0.0004","16.988","0.0004","13.5711","0.0004","90","","90","","120","","3391.8","0.15","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C47 H81 B7 Ca3 N18 O13 -","- C45 H75 B7 Ca3 N18 O12 -","- C90 H150 B14 Ca6 N36 O24 -","2","0.166667","","Mark J. Saly; Jing Li; Mary Jane Heeg; Charles H. Winter","Efficient Hydride and Pyrazolyl Redistribution upon Thermolysis of a Calcium Complex Containing Dihydrobis(pyrazolyl)borate Ligands","Inorganic Chemistry","2011","50","","7385","7387","10.1021/ic2012815","","","0.71073","MoKα","","0.0686","0.0405","","","0.0954","0.1035","","","","","","1.007","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325982","6.7507","0.001","16.9798","0.0013","12.9232","0.0007","90","","90","","90","","1481.3","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16.25 H8 O5 V -","- C16.32 H8 O5 V -","- C65.28 H32 O20 V4 -","4","0.5","","Anh Phan; Alexander U. Czaja; Felipe Gándara; Carolyn B. Knobler; Omar M. Yaghi","Metal-Organic Frameworks of Vanadium as Catalysts for Conversion of Methane to Acetic Acid","Inorganic Chemistry","2011","50","","7388","7390","10.1021/ic201396m","","","1.54178","CuKα","","0.0964","0.0774","","","0.1833","0.1956","","","","","","1.041","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325983","13.3681","0.0005","15.0979","0.0005","16.8618","0.0006","90","","96.191","0.002","90","","3383.4","0.2","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H46 B11 F2 N P2 Pd -","- C25 H46 B11 F2 N P2 Pd -","- C100 H184 B44 F8 N4 P8 Pd4 -","4","1","","Yanjun Zhu; Chun-Hsing Chen; Claudia M. Fafard; Bruce M. Foxman; Oleg V. Ozerov","Net Heterolytic Cleavage of B-H and B-B Bonds Across the N-Pd Bond in a Cationic (PNP)Pd Fragment","Inorganic Chemistry","2011","50","","7980","7987","10.1021/ic2001283","","","0.71073","MoKα","","0.0491","0.0406","","0.1086","0.1039","0.1086","","","","","","0.9822","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325984","12.3756","0.0009","15.6639","0.0011","19.3865","0.0014","89.269","0.004","88.814","0.004","86.015","0.004","3747.9","0.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H57 B2 F24 N O2 P2 Pd -","- C64 H57 B2 F24 N O2 P2 Pd -","- C128 H114 B4 F48 N2 O4 P4 Pd2 -","2","1","","Yanjun Zhu; Chun-Hsing Chen; Claudia M. Fafard; Bruce M. Foxman; Oleg V. Ozerov","Net Heterolytic Cleavage of B-H and B-B Bonds Across the N-Pd Bond in a Cationic (PNP)Pd Fragment","Inorganic Chemistry","2011","50","","7980","7987","10.1021/ic2001283","","","0.71073","MoKα","","0.0712","0.0477","","0.1471","0.1237","0.1471","","","","","","1.0118","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325985","17.166","0.0008","18.3171","0.0009","22.9978","0.0011","90","","107.121","0.003","90","","6910.8","0.6","120","","120","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C64.7 H59 B2 Cl1.4 F24 N O2.3 P2 Pd -","- C64.7 H59 B2 Cl1.4 F24 N O2.3 P2 Pd -","- C258.8 H236 B8 Cl5.6 F96 N4 O9.2 P8 Pd4 -","4","1","","Yanjun Zhu; Chun-Hsing Chen; Claudia M. Fafard; Bruce M. Foxman; Oleg V. Ozerov","Net Heterolytic Cleavage of B-H and B-B Bonds Across the N-Pd Bond in a Cationic (PNP)Pd Fragment","Inorganic Chemistry","2011","50","","7980","7987","10.1021/ic2001283","","","0.71073","MoKα","","0.0775","0.0457","","0.1298","0.1105","0.1298","","","","","","0.9765","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325986","19.5684","0.0008","16.5154","0.0007","33.9184","0.0013","90","","95.642","0.0018","90","","10908.6","0.8","120","","120","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H65 B13 F3 N O4 P2 Pd -","- C46 H65 B13 F3 N O4 P2 Pd -","- C368 H520 B104 F24 N8 O32 P16 Pd8 -","8","1","","Yanjun Zhu; Chun-Hsing Chen; Claudia M. Fafard; Bruce M. Foxman; Oleg V. Ozerov","Net Heterolytic Cleavage of B-H and B-B Bonds Across the N-Pd Bond in a Cationic (PNP)Pd Fragment","Inorganic Chemistry","2011","50","","7980","7987","10.1021/ic2001283","","","0.71073","MoKα","","0.0328","0.0286","","0.0741","0.0677","0.0741","","","","","","1.0609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325987","15.276","0.005","16.211","0.005","10.466","0.003","90","","98.021","0.004","90","","2566.4","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Cu0 N O4 S -","- C32 H25 N O4 S -","- C128 H100 N4 O16 S4 -","4","1","","Dongmei Li; Xiaohe Tian; Guiju Hu; Qiong Zhang; Peng Wang; Pingping Sun; Hongping Zhou; Xiangming Meng; Jiaxiang Yang; Jieying Wu; Baokang Jin; Shengyi Zhang; Xutang Tao; Yupeng Tian","Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes","Inorganic Chemistry","2011","50","","7997","8006","10.1021/ic200150h","","","0.71073","MoKα","","0.1352","0.0612","","","0.1333","0.1761","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325988","11.092","0.005","12.371","0.005","15.53","0.005","100.918","0.005","105.277","0.005","95.784","0.005","1992.8","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H76 N8 O8 S2 Zn2 -","- C94 H76 N8 O8 S2 Zn2 -","- C94 H76 N8 O8 S2 Zn2 -","1","0.5","","Dongmei Li; Xiaohe Tian; Guiju Hu; Qiong Zhang; Peng Wang; Pingping Sun; Hongping Zhou; Xiangming Meng; Jiaxiang Yang; Jieying Wu; Baokang Jin; Shengyi Zhang; Xutang Tao; Yupeng Tian","Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes","Inorganic Chemistry","2011","50","","7997","8006","10.1021/ic200150h","","","0.71069","MoKα","","0.1081","0.0577","","","0.141","0.172","","","","","","0.925","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325989","8.925","0.007","9.851","0.007","19.046","0.013","88.04","0.011","83.163","0.012","64.338","0.009","1498.3","1.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H52 F12 N4 O10 S2 Zn2 -","- C62 H52 F12 N4 O10 S2 Zn2 -","- C62 H52 F12 N4 O10 S2 Zn2 -","1","0.5","","Dongmei Li; Xiaohe Tian; Guiju Hu; Qiong Zhang; Peng Wang; Pingping Sun; Hongping Zhou; Xiangming Meng; Jiaxiang Yang; Jieying Wu; Baokang Jin; Shengyi Zhang; Xutang Tao; Yupeng Tian","Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes","Inorganic Chemistry","2011","50","","7997","8006","10.1021/ic200150h","","","0.71073","MoKα","","0.1649","0.0712","","","0.1631","0.1987","","","","","","0.87","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325990","8.896","0.005","10.216","0.005","18.837","0.005","92.476","0.005","99.68","0.005","113.835","0.005","1531.9","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H46 Cd2 F12 N6 O8 S2 -","- C64 H46 Cd2 F12 N6 O8 S2 -","- C64 H46 Cd2 F12 N6 O8 S2 -","1","0.5","","Dongmei Li; Xiaohe Tian; Guiju Hu; Qiong Zhang; Peng Wang; Pingping Sun; Hongping Zhou; Xiangming Meng; Jiaxiang Yang; Jieying Wu; Baokang Jin; Shengyi Zhang; Xutang Tao; Yupeng Tian","Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes","Inorganic Chemistry","2011","50","","7997","8006","10.1021/ic200150h","","","0.71069","MoKα","","0.0841","0.0579","","","0.1531","0.1779","","","","","","1.087","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325991","8.675","0.005","9.988","0.005","19.371","0.005","89.89","0.005","83.436","0.005","66.425","0.005","1526.5","1.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H46 F12 N6 Ni2 O8 S2 -","- C64 H46 F12 N6 Ni2 O8 S2 -","- C64 H46 F12 N6 Ni2 O8 S2 -","1","0.5","","Dongmei Li; Xiaohe Tian; Guiju Hu; Qiong Zhang; Peng Wang; Pingping Sun; Hongping Zhou; Xiangming Meng; Jiaxiang Yang; Jieying Wu; Baokang Jin; Shengyi Zhang; Xutang Tao; Yupeng Tian","Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes","Inorganic Chemistry","2011","50","","7997","8006","10.1021/ic200150h","","","0.71069","MoKα","","0.0877","0.048","","","0.0943","0.1084","","","","","","1.097","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325992","8.544","0.006","9.937","0.007","19.474","0.013","91.086","0.008","96.614","0.009","111.179","0.008","1528.2","1.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H46 F12 Mn2 N6 O8 S2 -","- C64 H46 F12 Mn2 N6 O8 S2 -","- C64 H46 F12 Mn2 N6 O8 S2 -","1","0.5","","Dongmei Li; Xiaohe Tian; Guiju Hu; Qiong Zhang; Peng Wang; Pingping Sun; Hongping Zhou; Xiangming Meng; Jiaxiang Yang; Jieying Wu; Baokang Jin; Shengyi Zhang; Xutang Tao; Yupeng Tian","Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes","Inorganic Chemistry","2011","50","","7997","8006","10.1021/ic200150h","","","0.71073","MoKα","","0.182","0.1472","","","0.4934","0.5416","","","","","","0.994","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325993","9.3769","0.0002","9.938","0.0002","19.0906","0.0004","86.159","0.001","82.312","0.001","63.448","0.001","1577.02","0.06","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H48 Cu2 F12 N4 O8 S2 -","- C66 H48 Cu2 F12 N4 O8 S2 -","- C66 H48 Cu2 F12 N4 O8 S2 -","1","0.5","","Dongmei Li; Xiaohe Tian; Guiju Hu; Qiong Zhang; Peng Wang; Pingping Sun; Hongping Zhou; Xiangming Meng; Jiaxiang Yang; Jieying Wu; Baokang Jin; Shengyi Zhang; Xutang Tao; Yupeng Tian","Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes","Inorganic Chemistry","2011","50","","7997","8006","10.1021/ic200150h","","","0.71073","MoKα","","0.0726","0.0543","","","0.148","0.1631","","","","","","1.037","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325994","8.7278","0.0014","10.0793","0.0015","19.42","0.003","89.497","0.011","83.29","0.011","66.211","0.011","1551.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H46 Co2 F12 N6 O8 S2 -","- C64 H46 Co2 F12 N6 O8 S2 -","- C64 H46 Co2 F12 N6 O8 S2 -","1","0.5","","Dongmei Li; Xiaohe Tian; Guiju Hu; Qiong Zhang; Peng Wang; Pingping Sun; Hongping Zhou; Xiangming Meng; Jiaxiang Yang; Jieying Wu; Baokang Jin; Shengyi Zhang; Xutang Tao; Yupeng Tian","Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes","Inorganic Chemistry","2011","50","","7997","8006","10.1021/ic200150h","","","0.71073","MoKα","","0.1065","0.0569","","","0.1426","0.1668","","","","","","1.039","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325995","14.9901","0.0008","18.055","0.0009","45.102","0.002","97.665","0.003","91.758","0.004","100.219","0.004","11887.2","1","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C303 H257 Ag12 Mo48 N53 O168 P4 -","- C303 H251 Ag12 Mo48 N53 O168 P4 -","- C303 H251 Ag12 Mo48 N53 O168 P4 -","1","0.5","","Dongbin Dang; Guangshui Zheng; Yan Bai; Fan Yang; Hui Gao; Pengtao Ma; Jingyang Niu","Construction of Polyoxometalate-Based Inorganic-Organic Compounds Using Silver(I) Double Helicates as Secondary Building Blocks","Inorganic Chemistry","2011","50","","7907","7909","10.1021/ic200159w","","","0.71073","MoKα","","0.2034","0.0869","","","0.1721","0.1975","","","","","","1.07","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325996","11.3822","0.0009","15.4636","0.0012","15.8905","0.0019","112.079","0.007","105.53","0.008","104.096","0.005","2304.1","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H63 Ag4 Mo12 N16 O44 P -","- C56 H56 Ag4 Mo12 N16 O44 P -","- C56 H56 Ag4 Mo12 N16 O44 P -","1","0.5","","Dongbin Dang; Guangshui Zheng; Yan Bai; Fan Yang; Hui Gao; Pengtao Ma; Jingyang Niu","Construction of Polyoxometalate-Based Inorganic-Organic Compounds Using Silver(I) Double Helicates as Secondary Building Blocks","Inorganic Chemistry","2011","50","","7907","7909","10.1021/ic200159w","","","0.71073","MoKα","","0.1088","0.0604","","","0.1471","0.1646","","","","","","1.038","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325997","8.433","0.003","15.889","0.004","20.827","0.005","90","","94.58","0.02","90","","2781.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Cl2 N7 Ni O8 -","- C20 H35 Cl2 N7 Ni O8 -","- C80 H140 Cl8 N28 Ni4 O32 -","4","1","","Oindrila Das; Ennio Zangrando; Tapan Kanti Paine","Reactivity of Nickel(II) and Copper(II) Complexes of a β-Aminohydrazone Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented Pyrazole Ring Synthesis via C-C Bond-Forming Reaction","Inorganic Chemistry","2011","50","","8012","8019","10.1021/ic200261j","","","0.71073","MoKα","","0.1232","0.049","","","0.112","0.1287","","","","","","0.791","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325998","9.72","0.003","16.343","0.006","18.657","0.006","71.354","0.008","79.046","0.009","79.586","0.009","2734","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H35 Cl2 Cu N7 O8 -","- C20 H35 Cl2 Cu N7 O8 -","- C80 H140 Cl8 Cu4 N28 O32 -","4","2","","Oindrila Das; Ennio Zangrando; Tapan Kanti Paine","Reactivity of Nickel(II) and Copper(II) Complexes of a β-Aminohydrazone Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented Pyrazole Ring Synthesis via C-C Bond-Forming Reaction","Inorganic Chemistry","2011","50","","8012","8019","10.1021/ic200261j","","","0.71073","MoKα","","0.1131","0.0777","","","0.2027","0.24","","","","","","1.027","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325999","9.4427","0.0008","20.7633","0.0017","10.9105","0.0009","90","","115.444","0.002","90","","1931.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H44 Cl3 Cu N8 O13 -","- C27 H44 Cl3 Cu N8 O13 -","- C54 H88 Cl6 Cu2 N16 O26 -","2","1","","Oindrila Das; Ennio Zangrando; Tapan Kanti Paine","Reactivity of Nickel(II) and Copper(II) Complexes of a β-Aminohydrazone Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented Pyrazole Ring Synthesis via C-C Bond-Forming Reaction","Inorganic Chemistry","2011","50","","8012","8019","10.1021/ic200261j","","","0.71073","MoKα","","0.0626","0.0481","","","0.1303","0.14","","","","","","1.042","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326000","23.147","0.003","24.849","0.004","13.631","0.003","90","","91.521","0.015","90","","7838","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cl2 Cu2 N8 O10 -","- C36 H30 Cl2 Cu2 N8 O10 -","- C288 H240 Cl16 Cu16 N64 O80 -","8","1","","Oindrila Das; Ennio Zangrando; Tapan Kanti Paine","Reactivity of Nickel(II) and Copper(II) Complexes of a β-Aminohydrazone Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented Pyrazole Ring Synthesis via C-C Bond-Forming Reaction","Inorganic Chemistry","2011","50","","8012","8019","10.1021/ic200261j","","","0.71073","MoKα","","0.0588","0.0449","","","0.1277","0.1343","","","","","","1.12","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326001","4.2066","0.0005","16.12","0.002","7.0639","0.0009","90","","90","","90","","479.01","0.1","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca2 Cd P2 -","- Ca2 Cd P2 -","- Ca8 Cd4 P8 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0166","0.0152","","","0.0278","0.0282","","","","","","1.061","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326002","4.3163","0.0005","16.5063","0.0019","7.1418","0.0008","90","","90","","90","","508.83","0.1","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- As2 Ca2 Cd -","- As2 Ca2 Cd -","- As8 Ca8 Cd4 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0175","0.0165","","","0.029","0.0292","","","","","","0.993","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326003","21.5152","0.0003","4.3005","0.0001","14.3761","0.0002","90","","110.017","0.001","90","","1249.81","0.04","296","2","296","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- As2 Ca2 Cd -","- As2 Ca2 Cd -","- As20 Ca20 Cd10 -","10","2.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0637","0.0461","","","0.0747","0.0816","","","","","","0.987","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326004","4.4459","0.0007","16.904","0.003","7.5885","0.0011","90","","90","","90","","570.3","0.16","150","2","150","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- As2 Cd Sr2 -","- As2 Cd Sr2 -","- As8 Cd4 Sr8 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.027","0.0238","","","0.0404","0.0414","","","","","","0.952","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326005","4.5922","0.0005","17.4047","0.0018","8.0526","0.0008","90","","90","","90","","643.61","0.12","150","2","150","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- As2 Ba2 Cd -","- As2 Ba2 Cd -","- As8 Ba8 Cd4 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0198","0.0184","","","0.0361","0.0365","","","","","","1.05","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326006","4.4418","0.0009","16.847","0.004","7.4985","0.0016","90","","90","","90","","561.1","0.2","150","2","150","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- As2 Cd Eu2 -","- As2 Cd Eu2 -","- As8 Cd4 Eu8 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0215","0.0203","","","0.0404","0.0407","","","","","","1.037","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326007","17.373","0.003","23.275","0.005","50.436","0.012","90","","109.82","0.03","90","","19186","8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H116 K3 Mn N8 O18 Pb12 -","- C56 H116 K3 Mn N8 O18 Pb12 -","- C448 H928 K24 Mn8.00002 N64 O144 Pb96.0002 -","8","2","","Binbin Zhou; Tobias Krämer; Amber L. Thompson; John E. McGrady; José M. Goicoechea","A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb12]3-","Inorganic Chemistry","2011","50","","8028","8037","10.1021/ic200329m","","","0.6889","synchrotron","","0.1546","0.1232","","0.1727","0.1422","0.1316","","","","","","1.1056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326008","17.442","0.0001","23.297","0.0002","50.412","0.0004","90","","110.23","0.001","90","","19221.1","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H118 K3 Mn N8.5 O18 Pb12 -","- C56.5 H118 K3 Mn N8.5 O18 Pb12.0001 -","- C452 H944 K24 Mn8.00004 N68 O144 Pb96.0005 -","8","2","","Binbin Zhou; Tobias Krämer; Amber L. Thompson; John E. McGrady; José M. Goicoechea","A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb12]3-","Inorganic Chemistry","2011","50","","8028","8037","10.1021/ic200329m","","","0.71073","MoKα","","0.1709","0.1059","","0.1288","0.0871","0.0808","","","","","","1.1385","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326009","17.373","0.003","23.275","0.005","50.436","0.012","90","","109.82","0.03","90","","19186","8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[K(2,2,2-crypt)]2[Mn@Pb12]*1.5en","","- C57 H120 K3 Mn N9 O18 Pb12 -","- C57 H120 K3 Mn N9 O18 Pb12 -","- C456 H960 K24 Mn8 N72 O144 Pb96 -","8","2","","Binbin Zhou; Tobias Krämer; Amber L. Thompson; John E. McGrady; José M. Goicoechea","A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb12]3-","Inorganic Chemistry","2011","50","","8028","8037","10.1021/ic200329m","","","0.6889","synchrotron","","0.09","0.0732","","","0.1929","0.2175","","","","","","1.055","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326010","17.442","0.0001","23.297","0.0002","50.412","0.0004","90","","110.23","0.001","90","","19221.1","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H120 K3 Mn N9 O18 Pb12 -","- C57 H120 K3 Mn N9 O18 Pb12 -","- C456 H960 K24 Mn8 N72 O144 Pb96 -","8","2","","Binbin Zhou; Tobias Krämer; Amber L. Thompson; John E. McGrady; José M. Goicoechea","A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb12]3-","Inorganic Chemistry","2011","50","","8028","8037","10.1021/ic200329m","","","0.71073","MoKα","","0.122","0.0783","","","0.1277","0.138","","","","","","1.146","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326011","8.2224","0.001","8.3638","0.0014","15.8628","0.0004","90","","93.905","0.001","90","","1088.4","0.2","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H28 Br2 P4 Pd2 S -","- C10 H28 Br2 P4 Pd2 S -","- C20 H56 Br4 P8 Pd4 S2 -","2","1","","Craig B. Pamplin; Steven J. Rettig; Brian O. Patrick; Brian R. James","Reactions of the Bis(dialkylphosphino)methane Complexes Pd2X2(μ-R2PCH2PR2)2 (X = halogen, R = Me or Et) with H2S, S8, COS, and CS2; Detection of Reaction Intermediates","Inorganic Chemistry","2011","50","","8094","8105","10.1021/ic200503d","","","0.71069","MoKα","","0.0368","0.0364","","","0.0903","0.0906","","","","","","1.152","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326012","27.7975","0.0004","27.7975","0.0004","17.7113","0.0005","90","","90","","120","","11852","0.4","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C11 H28 Cl2 O0 P4 Pd2 S2 -","- C11 H28 Cl2 P4 Pd2 S2 -","- C198 H504 Cl36 P72 Pd36 S36 -","18","1","","Craig B. Pamplin; Steven J. Rettig; Brian O. Patrick; Brian R. James","Reactions of the Bis(dialkylphosphino)methane Complexes Pd2X2(μ-R2PCH2PR2)2 (X = halogen, R = Me or Et) with H2S, S8, COS, and CS2; Detection of Reaction Intermediates","Inorganic Chemistry","2011","50","","8094","8105","10.1021/ic200503d","","","0.71073","MoKα","","0.0376","0.0274","","","0.0738","0.075","","","","","","1.119","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326013","10.9707","0.0011","12.3132","0.0003","15.2999","0.0002","90","","90","","90","","2066.8","0.2","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl2 P4 Pd2 S -","- C10 H28 Cl2 P4 Pd2 S -","- C40 H112 Cl8 P16 Pd8 S4 -","4","1","","Craig B. Pamplin; Steven J. Rettig; Brian O. Patrick; Brian R. James","Reactions of the Bis(dialkylphosphino)methane Complexes Pd2X2(μ-R2PCH2PR2)2 (X = halogen, R = Me or Et) with H2S, S8, COS, and CS2; Detection of Reaction Intermediates","Inorganic Chemistry","2011","50","","8094","8105","10.1021/ic200503d","","","0.7107","MoKα","","0.0193","0.0175","","","0.0435","0.0439","","","","","","1.085","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326014","9.8227","0.0009","16.605","0.0015","15.1422","0.0014","90","","108.794","0.002","90","","2338.1","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 F6 N2 -","- C11 H6 F6 N2 -","- C88 H48 F48 N16 -","8","2","","Jaime A. Flores; José G. Andino; Nikolay P. Tsvetkov; Maren Pink; Robert J. Wolfe; Ashley R. Head; Dennis L. Lichtenberger; Joseph Massa; Kenneth G. Caulton","Assessment of the Electronic Structure of 2,2'-Pyridylpyrrolides as Ligands","Inorganic Chemistry","2011","50","","8121","8131","10.1021/ic2005503","","","0.71073","MoKα","","0.0738","0.0448","","","0.1045","0.1205","","","","","","1.019","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4326015","8.9474","0.0006","9.13","0.0006","17.4147","0.0011","82.582","0.001","88.278","0.001","83.504","0.001","1401.47","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 F3 N2 -","- C14 H15 F3 N2 -","- C56 H60 F12 N8 -","4","2","","Jaime A. Flores; José G. Andino; Nikolay P. Tsvetkov; Maren Pink; Robert J. Wolfe; Ashley R. Head; Dennis L. Lichtenberger; Joseph Massa; Kenneth G. Caulton","Assessment of the Electronic Structure of 2,2'-Pyridylpyrrolides as Ligands","Inorganic Chemistry","2011","50","","8121","8131","10.1021/ic2005503","","","0.71073","MoKα","","0.0662","0.0488","","","0.1295","0.1432","","","","","","1.029","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4326016","7.9582","0.0012","8.8597","0.0013","11.0798","0.0016","84.782","0.002","74.544","0.003","68.527","0.002","700.67","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cu F6 N3 -","- C13 H8 Cu F6 N3 -","- C26 H16 Cu2 F12 N6 -","2","1","","Jaime A. Flores; José G. Andino; Nikolay P. Tsvetkov; Maren Pink; Robert J. Wolfe; Ashley R. Head; Dennis L. Lichtenberger; Joseph Massa; Kenneth G. Caulton","Assessment of the Electronic Structure of 2,2'-Pyridylpyrrolides as Ligands","Inorganic Chemistry","2011","50","","8121","8131","10.1021/ic2005503","","","0.71073","MoKα","","0.0346","0.0287","","","0.0922","0.1026","","","","","","1.208","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4326017","12.2946","0.0013","15.6385","0.0015","18.03","0.003","90","","91.692","0.002","90","","3465.1","0.8","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C15 H15 F6 K N2 O -","- C15 H15 F6 K N2 O -","- C120 H120 F48 K8 N16 O8 -","8","4","","Jaime A. Flores; José G. Andino; Nikolay P. Tsvetkov; Maren Pink; Robert J. Wolfe; Ashley R. Head; Dennis L. Lichtenberger; Joseph Massa; Kenneth G. Caulton","Assessment of the Electronic Structure of 2,2'-Pyridylpyrrolides as Ligands","Inorganic Chemistry","2011","50","","8121","8131","10.1021/ic2005503","","","0.71073","MoKα","","0.081","0.0477","","","0.1052","0.121","","","","","","1.022","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4326018","15.5086","0.0004","16.1894","0.0006","19.045","0.0006","106.424","0.003","101.629","0.002","110.283","0.003","4056.7","0.3","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C20.25 H14.5 Cl0.5 F3 N O6 Pd -","- C20.25 H14.5 Cl0.5 F3 N O6 Pd -","- C162 H116 Cl4 F24 N8 O48 Pd8 -","8","4","","Gheorghe-Doru Roiban; Elena Serrano; Tatiana Soler; Gabriel Aullón; Ion Grosu; Carlos Cativiela; Manuel Martínez; Esteban P. Urriolabeitia","Regioselective Orthopalladation of (Z)-2-Aryl-4-Arylidene-5(4H)-Oxazolones: Scope, Kinetico-Mechanistic, and Density Functional Theory Studies of the C-H Bond Activation","Inorganic Chemistry","2011","50","","8132","8143","10.1021/ic200564d","","","0.71073","MoKα","","0.0531","0.0296","","","0.046","0.0478","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326019","8.8186","0.0006","19.5015","0.0011","9.133","0.0005","90","","110.067","0.007","90","","1475.3","0.17","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Gheorghe-Doru Roiban; Elena Serrano; Tatiana Soler; Gabriel Aullón; Ion Grosu; Carlos Cativiela; Manuel Martínez; Esteban P. Urriolabeitia","Regioselective Orthopalladation of (Z)-2-Aryl-4-Arylidene-5(4H)-Oxazolones: Scope, Kinetico-Mechanistic, and Density Functional Theory Studies of the C-H Bond Activation","Inorganic Chemistry","2011","50","","8132","8143","10.1021/ic200564d","","","0.71073","MoKα","","0.0402","0.0339","","","0.084","0.0865","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326020","15.2929","0.0006","17.3265","0.0005","19.3711","0.0006","109.114","0.003","98.252","0.003","114.692","0.003","4164.9","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Cl4 N2 O12 Pd2 -","- C41 H34 Cl4 N2 O12 Pd2 -","- C164 H136 Cl16 N8 O48 Pd8 -","4","2","","Gheorghe-Doru Roiban; Elena Serrano; Tatiana Soler; Gabriel Aullón; Ion Grosu; Carlos Cativiela; Manuel Martínez; Esteban P. Urriolabeitia","Regioselective Orthopalladation of (Z)-2-Aryl-4-Arylidene-5(4H)-Oxazolones: Scope, Kinetico-Mechanistic, and Density Functional Theory Studies of the C-H Bond Activation","Inorganic Chemistry","2011","50","","8132","8143","10.1021/ic200564d","","","0.71073","MoKα","","0.0553","0.03","","","0.0522","0.0546","","","","","","0.998","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326021","13.088","0.005","6.461","0.002","7.461","0.003","90","","90.175","0.005","90","","630.9","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Mn O6 -","- C12 H12 Mn O6 -","- C24 H24 Mn2 O12 -","2","0.5","","Qian Sun; Ai-ling Cheng; Yan-Qin Wang; Yu Ma; En-Qing Gao","Magnetic Ordering in Three-Dimensional Metal-Organic Frameworks Based on Carboxylate Bridged Square-Grid Layers","Inorganic Chemistry","2011","50","","8144","8152","10.1021/ic200592s","","","0.71073","MoKα","","0.0571","0.049","","","0.1133","0.1155","","","","","","1.2","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326022","13.058","0.006","6.386","0.003","7.409","0.003","90","","90.001","0.007","90","","617.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Fe O6 -","- C12 H12 Fe O6 -","- C24 H24 Fe2 O12 -","2","0.5","","Qian Sun; Ai-ling Cheng; Yan-Qin Wang; Yu Ma; En-Qing Gao","Magnetic Ordering in Three-Dimensional Metal-Organic Frameworks Based on Carboxylate Bridged Square-Grid Layers","Inorganic Chemistry","2011","50","","8144","8152","10.1021/ic200592s","","","0.71073","MoKα","","0.0857","0.0726","","","0.181","0.1862","","","","","","1.156","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326023","12.903","0.007","6.371","0.003","7.329","0.004","90","","90.289","0.007","90","","602.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Co O6 -","- C12 H12 Co O6 -","- C24 H24 Co2 O12 -","2","0.5","","Qian Sun; Ai-ling Cheng; Yan-Qin Wang; Yu Ma; En-Qing Gao","Magnetic Ordering in Three-Dimensional Metal-Organic Frameworks Based on Carboxylate Bridged Square-Grid Layers","Inorganic Chemistry","2011","50","","8144","8152","10.1021/ic200592s","","","0.71073","MoKα","","0.1113","0.0965","","","0.2217","0.2269","","","","","","1.262","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326024","18.6314","0.0009","16.0854","0.0008","24.9485","0.0011","90","","90","","90","","7476.9","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H52 Cl4 N4 Ru2 -","- C35 H52 Cl4 N4 Ru2 -","- C280 H416 Cl32 N32 Ru16 -","8","1","","Laszlo Mercs; Antonia Neels; Helen Stoeckli-Evans; Martin Albrecht","Probing Intermetallic Coupling in Dinuclear N-Heterocyclic Carbene Ruthenium(II) Complexes","Inorganic Chemistry","2011","50","","8188","8196","10.1021/ic200651h","","","0.71073","MoKα","","0.0622","0.0336","","","0.0617","0.0666","","","","","","0.891","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326025","30.4955","0.0019","30.6288","0.0015","9.5047","0.0004","90","","90","","90","","8877.8","0.8","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C41 H65.5 Cl4 N4 O0.75 Ru2 -","- C38 H58 Cl4 N4 Ru2 -","- C304 H464 Cl32 N32 Ru16 -","8","1","","Laszlo Mercs; Antonia Neels; Helen Stoeckli-Evans; Martin Albrecht","Probing Intermetallic Coupling in Dinuclear N-Heterocyclic Carbene Ruthenium(II) Complexes","Inorganic Chemistry","2011","50","","8188","8196","10.1021/ic200651h","","","0.71073","MoKα","","0.1113","0.0886","","","0.2374","0.2582","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326026","18.0226","0.001","17.5343","0.0006","20.5361","0.001","90","","103.179","0.004","90","","6318.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 Cl2 N4 O1.5 Ru -","- C30 H40 Cl2 N4 O1.5 Ru -","- C240 H320 Cl16 N32 O12 Ru8 -","8","2","","Laszlo Mercs; Antonia Neels; Helen Stoeckli-Evans; Martin Albrecht","Probing Intermetallic Coupling in Dinuclear N-Heterocyclic Carbene Ruthenium(II) Complexes","Inorganic Chemistry","2011","50","","8188","8196","10.1021/ic200651h","","","0.71073","MoKα","","0.1472","0.1213","","","0.366","0.3836","","","","","","1.449","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326027","19.901","0.005","26.494","0.006","14.477","0.004","90","","105.34","0.03","90","","7361","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H60 N8 Se20 Sn9 -","- C32 H60 N8 Se20 Sn9 -","- C128 H240 N32 Se80 Sn36 -","4","1","","Yumei Lin; Stefanie Dehnen","[BMIm]4[Sn9Se20]: Ionothermal Synthesis of a Selenidostannate with a 3D Open-Framework Structure","Inorganic Chemistry","2011","50","","7913","7915","10.1021/ic200697k","","","0.71073","MoKα","","0.054","0.0432","","","0.0945","0.0973","","","","","","1.011","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326028","13.938","0.003","24.075","0.005","18.854","0.004","90","","106.25","0.03","90","","6074","2","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H60 N8 Se14 Sn6 -","- C32 H60 N8 Se14 Sn6 -","- C128 H240 N32 Se56 Sn24 -","4","1","","Yumei Lin; Stefanie Dehnen","[BMIm]4[Sn9Se20]: Ionothermal Synthesis of a Selenidostannate with a 3D Open-Framework Structure","Inorganic Chemistry","2011","50","","7913","7915","10.1021/ic200697k","","","0.71073","MoKα","","0.0354","0.0337","","","0.0812","0.0852","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326029","11.905","0.004","15.34","0.005","18.726","0.006","68.398","0.006","73.201","0.006","76.991","0.006","3016.7","1.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H39 Cl6 F8 Ir2 N7 O4 -","- C64 H39 Cl6 F8 Ir2 N7 O4 -","- C128 H78 Cl12 F16 Ir4 N14 O8 -","2","1","","Eugen S. Andreiadis; Daniel Imbert; Jacques Pécaut; Adrian Calborean; Ilaria Ciofini; Carlo Adamo; Renaud Demadrille; Marinella Mazzanti","Phosphorescent Binuclear Iridium Complexes Based on Terpyridine-Carboxylate: An Experimental and Theoretical Study","Inorganic Chemistry","2011","50","","8197","8206","10.1021/ic200704s","","","0.71073","MoKα","","0.0634","0.0443","","","0.0905","0.0987","","","","","","1.066","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326030","12.4833","0.0017","19.596","0.003","21.318","0.003","90","","97.74","0.003","90","","5167.4","1.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H27 Cl11 F8 Ir2 N4 -","- C47 H27 Cl11 F8 Ir2 N4 -","- C188 H108 Cl44 F32 Ir8 N16 -","4","1","","Eugen S. Andreiadis; Daniel Imbert; Jacques Pécaut; Adrian Calborean; Ilaria Ciofini; Carlo Adamo; Renaud Demadrille; Marinella Mazzanti","Phosphorescent Binuclear Iridium Complexes Based on Terpyridine-Carboxylate: An Experimental and Theoretical Study","Inorganic Chemistry","2011","50","","8197","8206","10.1021/ic200704s","","","0.71073","MoKα","","0.0659","0.0402","","","0.0817","0.0889","","","","","","1.01","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326031","17.594","0.007","7.632","0.003","18.746","0.007","90","","108.263","0.006","90","","2390.4","1.6","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Cl6 F6 Fe2 N8 O6 S2 Zn -","- C38 H30 Cl6 F6 Fe2 N8 O6 S2 Zn -","- C76 H60 Cl12 F12 Fe4 N16 O12 S4 Zn2 -","2","0.5","","Tomás Romero; Raúl A. Orenes; Arturo Espinosa; Alberto Tárraga; Pedro Molina","Synthesis, Structural Charaterization, and Electrochemical and Optical Properties of Ferrocene-Triazole-Pyridine Triads","Inorganic Chemistry","2011","50","","8214","8224","10.1021/ic200745q","","","0.71073","MoKα","","0.0517","0.0465","","","0.104","0.1072","","","","","","1.103","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326032","5.8197","0.0005","20.0251","0.0018","11.8181","0.001","90","","92.876","0.002","90","","1375.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Fe N4 -","- C17 H14 Fe N4 -","- C68 H56 Fe4 N16 -","4","1","","Tomás Romero; Raúl A. Orenes; Arturo Espinosa; Alberto Tárraga; Pedro Molina","Synthesis, Structural Charaterization, and Electrochemical and Optical Properties of Ferrocene-Triazole-Pyridine Triads","Inorganic Chemistry","2011","50","","8214","8224","10.1021/ic200745q","","","0.71073","MoKα","","0.0284","0.0275","","","0.0725","0.0731","","","","","","1.088","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326033","12.786","0.001","9.2525","0.0007","16.9941","0.0013","90","","98.508","0.002","90","","1988.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Fe N8 -","- C24 H18 Fe N8 -","- C96 H72 Fe4 N32 -","4","1","","Tomás Romero; Raúl A. Orenes; Arturo Espinosa; Alberto Tárraga; Pedro Molina","Synthesis, Structural Charaterization, and Electrochemical and Optical Properties of Ferrocene-Triazole-Pyridine Triads","Inorganic Chemistry","2011","50","","8214","8224","10.1021/ic200745q","","","0.71073","MoKα","","0.0586","0.055","","","0.114","0.1156","","","","","","1.277","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326034","11.508","0.005","12.627","0.005","14.022","0.006","75.39","0.014","79.396","0.016","67.485","0.012","1812.7","1.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H76 F24 N12 O24 Pt4 Rh2 -","- C40 H76 F24 N12 O24 Pt4 Rh2 -","- C40 H76 F24 N12 O24 Pt4 Rh2 -","1","0.5","","Kazuhiro Uemura; Masahiro Ebihara","One-Dimensionally Extended Paddlewheel Dirhodium Complexes from Metal-Metal Bonds with Diplatinum Complexes","Inorganic Chemistry","2011","50","","7919","7921","10.1021/ic200786k","","","0.7107","MoKα","","0.112","0.0778","","","0.1951","0.2155","","","","","","1.081","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326035","11.536","0.002","12.599","0.002","13.941","0.003","75.827","0.008","81.424","0.009","64.918","0.006","1776.9","0.6","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H76 F24 N12 O18 P4 Pt4 Rh2 -","- C28 H76 F24 N12 O18 P4 Pt4 Rh2 -","- C28 H76 F24 N12 O18 P4 Pt4 Rh2 -","1","0.5","","Kazuhiro Uemura; Masahiro Ebihara","One-Dimensionally Extended Paddlewheel Dirhodium Complexes from Metal-Metal Bonds with Diplatinum Complexes","Inorganic Chemistry","2011","50","","7919","7921","10.1021/ic200786k","","","0.7107","MoKα","","0.0806","0.0598","","","0.1387","0.1608","","","","","","1.095","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326036","25.802","0.006","14.54","0.004","17.29","0.004","90","","95.952","0.003","90","","6452","3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H80 F9 N16 O15 Pt4 Rh2 -","- C34 H80 F9 N16 O15 Pt4 Rh2 -","- C136 H320 F36 N64 O60 Pt16 Rh8 -","4","0.5","","Kazuhiro Uemura; Masahiro Ebihara","One-Dimensionally Extended Paddlewheel Dirhodium Complexes from Metal-Metal Bonds with Diplatinum Complexes","Inorganic Chemistry","2011","50","","7919","7921","10.1021/ic200786k","","","0.7107","MoKα","","0.0961","0.0687","","","0.1663","0.1914","","","","","","1.067","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326037","8.8475","0.0002","9.9598","0.0002","13.8563","0.0003","99.3235","0.0009","95.4823","0.001","101.345","0.0009","1171.05","0.04","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Cl3 N3 Pt -","- C27 H20 Cl3 N3 Pt -","- C54 H40 Cl6 N6 Pt2 -","2","1","","Dileep A. K. Vezzu; Deepak Ravindranathan; Alexander W. Garner; Libero Bartolotti; Meredith E. Smith; Paul D. Boyle; Shouquan Huo","Highly Luminescent Tridentate N^C*N Platinum(II) Complexes Featured in Fused Five-Six-Membered Metallacycle and Diminishing Concentration Quenching","Inorganic Chemistry","2011","50","","8261","8273","10.1021/ic200794b","","","0.71073","MoKα","","0.0215","0.0187","","","0.0435","0.0443","","","","","","0.988","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326038","10.6291","0.0006","14.1109","0.0008","14.4003","0.0008","61.85","0.002","78.07","0.003","79.05","0.003","1852.51","0.18","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C22.25 H16.5 Cl1.5 N3 Pt -","- C22.25 H16.5 Cl1.5 N3 Pt -","- C89 H66 Cl6 N12 Pt4 -","4","2","","Dileep A. K. Vezzu; Deepak Ravindranathan; Alexander W. Garner; Libero Bartolotti; Meredith E. Smith; Paul D. Boyle; Shouquan Huo","Highly Luminescent Tridentate N^C*N Platinum(II) Complexes Featured in Fused Five-Six-Membered Metallacycle and Diminishing Concentration Quenching","Inorganic Chemistry","2011","50","","8261","8273","10.1021/ic200794b","","","0.71073","MoKα","","0.0482","0.0308","","","0.0703","0.0769","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326039","10.1051","0.0001","12.6124","0.0002","17.3747","0.0002","90","","113.671","0.0006","90","","2028.09","0.05","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl N3 Pt -","- C26 H18 Cl N3 Pt -","- C104 H72 Cl4 N12 Pt4 -","4","1","","Dileep A. K. Vezzu; Deepak Ravindranathan; Alexander W. Garner; Libero Bartolotti; Meredith E. Smith; Paul D. Boyle; Shouquan Huo","Highly Luminescent Tridentate N^C*N Platinum(II) Complexes Featured in Fused Five-Six-Membered Metallacycle and Diminishing Concentration Quenching","Inorganic Chemistry","2011","50","","8261","8273","10.1021/ic200794b","","","0.71073","MoKα","","0.0466","0.025","","","0.0493","0.0554","","","","","","1.001","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326040","9.3218","0.0002","10.3132","0.0002","11.6323","0.0002","90","","108.441","0.0009","90","","1060.88","0.04","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H18 Cl N3 Pt -","- C26 H18 Cl N3 Pt -","- C52 H36 Cl2 N6 Pt2 -","2","1","","Dileep A. K. Vezzu; Deepak Ravindranathan; Alexander W. Garner; Libero Bartolotti; Meredith E. Smith; Paul D. Boyle; Shouquan Huo","Highly Luminescent Tridentate N^C*N Platinum(II) Complexes Featured in Fused Five-Six-Membered Metallacycle and Diminishing Concentration Quenching","Inorganic Chemistry","2011","50","","8261","8273","10.1021/ic200794b","","","0.71073","MoKα","","0.0517","0.0257","","","0.0416","0.0463","","","","","","0.959","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326041","10.631","0.0005","18.9383","0.001","15.0218","0.0009","90","","92.646","0.005","90","","3021.2","0.3","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Ge N6 O3 -","- C38 H26 Ge N6 O3 -","- C152 H104 Ge4 N24 O12 -","4","1","","Manuela Stefanelli; Federica Mandoj; Marco Mastroianni; Sara Nardis; Pruthviray Mohite; Frank R. Fronczek; Kevin M. Smith; Karl M. Kadish; Xiao Xiao; Zhongping Ou; Ping Chen; Roberto Paolesse","Amination Reaction on Copper and Germanium β-Nitrocorrolates","Inorganic Chemistry","2011","50","","8281","8292","10.1021/ic2008073","","","1.54178","CuKα","","0.034","0.031","","","0.081","0.083","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326042","12.0809","0.0006","13.6212","0.0006","15.8676","0.0007","104.648","0.004","97.265","0.003","101.654","0.004","2430.4","0.2","123","","123","","","","","","","","see text","8","P -1","-P 1","2","","","","- C55 H45 B Cl3 Cu N4 O P2 -","- C55 H45 B Cl3 Cu N4 O P2 -","- C110 H90 B2 Cl6 Cu2 N8 O2 P4 -","2","1","","Rafał Czerwieniec; Jiangbo Yu; Hartmut Yersin","Blue-Light Emission of Cu(I) Complexes and Singlet Harvesting","Inorganic Chemistry","2011","50","","8293","8301","10.1021/ic200811a","","x-ray","1.54184","CuKα","","0.0505","0.0387","","","0.0968","0.1027","","","","","","1.051","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326043","9.2753","0.0003","12.2741","0.0005","18.3819","0.0004","85.541","0.003","89.87","0.002","71.762","0.003","1981.02","0.12","123","","123","","","","","","","","see text","8","P -1","-P 1","2","","","","- C43 H38 B Cl2 Cu N4 O P2 -","- C43 H38 B Cl2 Cu N4 O P2 -","- C86 H76 B2 Cl4 Cu2 N8 O2 P4 -","2","1","","Rafał Czerwieniec; Jiangbo Yu; Hartmut Yersin","Blue-Light Emission of Cu(I) Complexes and Singlet Harvesting","Inorganic Chemistry","2011","50","","8293","8301","10.1021/ic200811a","","x-ray","1.54184","CuKα","","0.0649","0.0513","","","0.1302","0.1385","","","","","","0.986","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326044","11.9642","0.0003","13.7264","0.0004","15.7278","0.0005","105.349","0.003","98.594","0.002","103.665","0.003","2357.53","0.13","223","","223","","","","","","","","see text","7","P -1","-P 1","2","","","","- C48 H40 B Cu N8 O P2 -","- C48 H40 B Cu N8 O P2 -","- C96 H80 B2 Cu2 N16 O2 P4 -","2","1","","Rafał Czerwieniec; Jiangbo Yu; Hartmut Yersin","Blue-Light Emission of Cu(I) Complexes and Singlet Harvesting","Inorganic Chemistry","2011","50","","8293","8301","10.1021/ic200811a","","x-ray","1.54184","CuKα","","0.0397","0.0365","","","0.1031","0.1068","","","","","","1.081","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326045","20.708","0.004","12.233","0.003","26.914","0.006","90","","102.174","0.001","90","","6665","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H50 Cl6 Fe N8 O12 P2 -","- C70 H50 Cl6 Fe N8 O12 P2 -","- C280 H200 Cl24 Fe4 N32 O48 P8 -","4","0.5","","Mee Chang; Atsushi Kobayashi; Kiyohiko Nakajima; Ho-Chol Chang; Masako Kato","Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex","Inorganic Chemistry","2011","50","","8308","8317","10.1021/ic2008396","","","0.7107","MoKα","","0.1288","0.0838","","","0.1701","0.1922","","","","","","1.095","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326046","8.0206","0.0011","11.2591","0.0016","22.046","0.003","90","","99.4","0.0008","90","","1964.1","0.5","150.1","","150.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N3 P -","- C24 H20 N3 P -","- C96 H80 N12 P4 -","4","1","","Mee Chang; Atsushi Kobayashi; Kiyohiko Nakajima; Ho-Chol Chang; Masako Kato","Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex","Inorganic Chemistry","2011","50","","8308","8317","10.1021/ic2008396","","","0.7107","MoKα","","","0.0383","","","","0.1028","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326047","20.7688","0.0019","12.2448","0.0007","19.2175","0.0016","90","","92.3","0.004","90","","4883.3","0.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Cl2 Fe Ho0 N6 O4.25 P2 -","- C52 H52 Cl2 Fe N6 O4.338 P2 -","- C208 H208 Cl8 Fe4 N24 O17.352 P8 -","4","0.5","","Mee Chang; Atsushi Kobayashi; Kiyohiko Nakajima; Ho-Chol Chang; Masako Kato","Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex","Inorganic Chemistry","2011","50","","8308","8317","10.1021/ic2008396","","","0.7107","MoKα","","0.0376","0.0321","","","0.0902","0.0933","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326048","12.0629","0.0019","17.409","0.003","19.406","0.004","90","","91.5441","0.0007","90","","4073.8","1.3","150.1","","150.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Fe N6 O3 P2 -","- C48 H40 Fe N6 O3 P2 -","- C192 H160 Fe4 N24 O12 P8 -","4","1","","Mee Chang; Atsushi Kobayashi; Kiyohiko Nakajima; Ho-Chol Chang; Masako Kato","Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex","Inorganic Chemistry","2011","50","","8308","8317","10.1021/ic2008396","","","0.7107","MoKα","","","0.0461","","","","0.1191","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326049","12.99","0.006","17.096","0.007","22.592","0.009","90","","105.73","0.003","90","","4829","4","150.1","","150.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Cl2 Fe N6 O6 P2 -","- C56 H47 Cl2 Fe N6 O6 P2 -","- C224 H188 Cl8 Fe4 N24 O24 P8 -","4","1","","Mee Chang; Atsushi Kobayashi; Kiyohiko Nakajima; Ho-Chol Chang; Masako Kato","Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex","Inorganic Chemistry","2011","50","","8308","8317","10.1021/ic2008396","","","0.7107","MoKα","","","0.0884","","","","0.2299","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326050","20.193","0.005","12.37","0.003","13.889","0.003","90","","115.091","0.001","90","","3141.9","1.3","150.1","","150.1","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H29 Cl2 Fe0.5 N3 O5 P -","- C34 H29 Cl2 Fe0.5 N3 O5 P -","- C136 H116 Cl8 Fe2 N12 O20 P4 -","4","1","","Mee Chang; Atsushi Kobayashi; Kiyohiko Nakajima; Ho-Chol Chang; Masako Kato","Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex","Inorganic Chemistry","2011","50","","8308","8317","10.1021/ic2008396","","","0.7107","MoKα","","","0.0413","","","","0.1092","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326051","9.169","0.005","9.388","0.005","10.615","0.005","114.555","0.005","106.173","0.005","96.843","0.005","768.8","0.7","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 F6 N4 Ni2 O10 -","- C24 H26 F6 N4 Ni2 O10 -","- C24 H26 F6 N4 Ni2 O10 -","1","0.5","","Dipali Sadhukhan; Aurkie Ray; Guillaume Pilet; Corrado Rizzoli; Georgina M. Rosair; Carlos J. Gómez-García; Sandra Signorella; Sebastián Bellú; Samiran Mitra","Weak Interactions Modulating the Dimensionality in Supramolecular Architectures in Three New Nickel(II)-Hydrazone Complexes, Magnetostructural Correlation, and Catalytic Potential for Epoxidation of Alkenes under Phase Transfer Conditions","Inorganic Chemistry","2011","50","","8326","8339","10.1021/ic200846j","","","0.71069","MoKα","","0.0726","0.06","","0.0712","0.0648","0.0631","","","","","","1.1341","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326052","7.21","0.004","10.186","0.008","10.376","0.006","77.13","0.02","73.77","0.02","82.21","0.03","711.1","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 F6 N4 Ni2 O10 -","- C24 H26 F6 N4 Ni2 O10 -","- C24 H26 F6 N4 Ni2 O10 -","1","0.5","","Dipali Sadhukhan; Aurkie Ray; Guillaume Pilet; Corrado Rizzoli; Georgina M. Rosair; Carlos J. Gómez-García; Sandra Signorella; Sebastián Bellú; Samiran Mitra","Weak Interactions Modulating the Dimensionality in Supramolecular Architectures in Three New Nickel(II)-Hydrazone Complexes, Magnetostructural Correlation, and Catalytic Potential for Epoxidation of Alkenes under Phase Transfer Conditions","Inorganic Chemistry","2011","50","","8326","8339","10.1021/ic200846j","","","0.71073","MoKα","","0.0784","0.0437","","0.084","0.0468","0.0493","","","","","","1.1782","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326053","17.7819","0.001","18.5529","0.0011","15.248","0.009","90","","95.7711","0.001","90","","5005","3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.35 H23.7 F3 N4 Ni O10 -","- C20.35 H23.7 F3 N4 Ni O10 -","- C162.8 H189.6 F24 N32 Ni8 O80 -","8","1","","Dipali Sadhukhan; Aurkie Ray; Guillaume Pilet; Corrado Rizzoli; Georgina M. Rosair; Carlos J. Gómez-García; Sandra Signorella; Sebastián Bellú; Samiran Mitra","Weak Interactions Modulating the Dimensionality in Supramolecular Architectures in Three New Nickel(II)-Hydrazone Complexes, Magnetostructural Correlation, and Catalytic Potential for Epoxidation of Alkenes under Phase Transfer Conditions","Inorganic Chemistry","2011","50","","8326","8339","10.1021/ic200846j","","","0.71071","MoKα","","0.0546","0.0353","","","0.0883","0.0934","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326054","11.5239","0.0006","13.2419","0.0007","20.3198","0.0011","85.1888","0.0007","77.893","0.0007","71.2408","0.0006","2870.3","0.3","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H65 Cl2 F3 Fe2 N12 O7 S -","- C51 H65 Cl2 F3 Fe2 N12 O7 S -","- C102 H130 Cl4 F6 Fe4 N24 O14 S2 -","2","1","","Gary K.-Y. Ng; Joseph W. Ziller; A. S. Borovik","Structural Diversity in Metal Complexes with a Dinucleating Ligand Containing Carboxyamidopyridyl Groups","Inorganic Chemistry","2011","50","","7922","7924","10.1021/ic200881t","","","0.71073","MoKα","","0.0591","0.0463","","","0.1182","0.1258","","","","","","1.042","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4326055","12.5951","0.0006","14.1855","0.0007","21.3797","0.0011","98.6178","0.0006","95.1664","0.0006","105.565","0.0006","3604","0.3","148","2","148","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H89 B Cl2 Co2 N12 O5 -","- C75 H89 B Cl2 Co2 N12 O5 -","- C150 H178 B2 Cl4 Co4 N24 O10 -","2","1","","Gary K.-Y. Ng; Joseph W. Ziller; A. S. Borovik","Structural Diversity in Metal Complexes with a Dinucleating Ligand Containing Carboxyamidopyridyl Groups","Inorganic Chemistry","2011","50","","7922","7924","10.1021/ic200881t","","","0.71073","MoKα","","0.0579","0.0471","","","0.1255","0.1338","","","","","","1.023","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326056","10.8889","0.0005","21.3269","0.0009","26.8112","0.0012","93.1871","0.0006","95.832","0.0006","104.129","0.0006","5985.8","0.5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.5 H74 F3 Fe2 N12 O9.5 S -","- C54.5 H74 F3 Fe2 N12 O9.5 S -","- C218 H296 F12 Fe8 N48 O38 S4 -","4","2","","Gary K.-Y. Ng; Joseph W. Ziller; A. S. Borovik","Structural Diversity in Metal Complexes with a Dinucleating Ligand Containing Carboxyamidopyridyl Groups","Inorganic Chemistry","2011","50","","7922","7924","10.1021/ic200881t","","","0.71073","MoKα","","0.0737","0.06","","","0.1625","0.1736","","","","","","1.042","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4326057","13.179","0.0004","30.5726","0.0009","14.9417","0.0004","90","","97.8767","0.0004","90","","5963.5","0.3","88","2","88","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H69 Cl4 Co2 F3 N12 O8 S -","- C52 H69 Cl4 Co2 F3 N12 O8 S -","- C208 H276 Cl16 Co8 F12 N48 O32 S4 -","4","1","","Gary K.-Y. Ng; Joseph W. Ziller; A. S. Borovik","Structural Diversity in Metal Complexes with a Dinucleating Ligand Containing Carboxyamidopyridyl Groups","Inorganic Chemistry","2011","50","","7922","7924","10.1021/ic200881t","","","0.71073","MoKα","","0.0759","0.0519","","","0.1206","0.1339","","","","","","1.03","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326058","10.0197","0.0003","13.2289","0.0003","16.1597","0.0004","103.714","0.001","103.229","0.001","101.818","0.001","1948.2","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 Cl7 Fe I4 N4 O6 -","- C28 H24 Cl7 Fe I4 N4 O6 -","- C56 H48 Cl14 Fe2 I8 N8 O12 -","2","1","","Rajendra Shakya; Marco M. Allard; Mara Johann; Mary Jane Heeg; Eva Rentschler; Jason M. Shearer; Bruce R. McGarvey; Cláudio N. Verani","Modeling the Geometric, Electronic, and Redox Properties of Iron(III)-Containing Amphiphiles with Asymmetric [NN'O] Headgroups","Inorganic Chemistry","2011","50","","8356","8366","10.1021/ic2009368","","","0.71073","MoKα","","0.0662","0.048","","","0.125","0.1346","","","","","","1.017","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326059","12.0275","0.0005","17.5329","0.0006","16.2589","0.0006","90","","106.18","0.002","90","","3292.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl7 Fe N4 O6 -","- C27 H24 Cl7 Fe N4 O6 -","- C108 H96 Cl28 Fe4 N16 O24 -","4","1","","Rajendra Shakya; Marco M. Allard; Mara Johann; Mary Jane Heeg; Eva Rentschler; Jason M. Shearer; Bruce R. McGarvey; Cláudio N. Verani","Modeling the Geometric, Electronic, and Redox Properties of Iron(III)-Containing Amphiphiles with Asymmetric [NN'O] Headgroups","Inorganic Chemistry","2011","50","","8356","8366","10.1021/ic2009368","","","0.71073","MoKα","","0.1543","0.0655","","","0.1208","0.1479","","","","","","1.004","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326060","8.1851","0.0012","8.4501","0.0013","13.627","0.002","86.442","0.005","84.862","0.005","64","0.005","843.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Br4 Fe2 N4 O6 -","- C30 H34 Br4 Fe2 N4 O6 -","- C30 H34 Br4 Fe2 N4 O6 -","1","0.5","","Rajendra Shakya; Marco M. Allard; Mara Johann; Mary Jane Heeg; Eva Rentschler; Jason M. Shearer; Bruce R. McGarvey; Cláudio N. Verani","Modeling the Geometric, Electronic, and Redox Properties of Iron(III)-Containing Amphiphiles with Asymmetric [NN'O] Headgroups","Inorganic Chemistry","2011","50","","8356","8366","10.1021/ic2009368","","","0.71073","MoKα","","0.0992","0.0554","","","0.1358","0.1545","","","","","","0.956","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326061","8.2018","0.0003","8.7957","0.0003","13.8773","0.0005","87.263","0.002","85.849","0.002","63.458","0.001","893.12","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Fe2 I4 N4 O6 -","- C30 H34 Fe2 I4 N4 O6 -","- C30 H34 Fe2 I4 N4 O6 -","1","0.5","","Rajendra Shakya; Marco M. Allard; Mara Johann; Mary Jane Heeg; Eva Rentschler; Jason M. Shearer; Bruce R. McGarvey; Cláudio N. Verani","Modeling the Geometric, Electronic, and Redox Properties of Iron(III)-Containing Amphiphiles with Asymmetric [NN'O] Headgroups","Inorganic Chemistry","2011","50","","8356","8366","10.1021/ic2009368","","","0.71073","MoKα","","0.0319","0.0232","","","0.0524","0.054","","","","","","1.068","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326062","9.6349","0.0009","26.235","0.003","28.821","0.004","90","","90","","90","","7285.1","1.5","293","2","293","2","","","","","","","","5","F m m m","-F 2 2","69","Zn2(adb)2(dabco)","","","- C31 H22 N O4 Zn -","- C31 H22 N O4 Zn -","- C248 H176 N8 O32 Zn8 -","8","0.25","","Ines Maria Hauptvogel; Ralf Biedermann; Nicole Klein; Irena Senkovska; Amandine Cadiau; Dirk Wallacher; Ralf Feyerherm; Stefan Kaskel","Flexible and Hydrophobic Zn-Based Metal-Organic Framework","Inorganic Chemistry","2011","50","","8367","8374","10.1021/ic200937u","","","0.71073","MoKα","","0.0888","0.06","","","0.1365","0.1458","","","","","","0.944","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326063","9.3858","0.0017","15.6894","0.0016","7.5523","0.0011","90","","93.544","0.013","90","","1110","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Me2adb","9,10 bis(p-(4-methoxycarbonyl)phenyl)anthracene","","- C30 H22 O4 -","- C30 H22 O4 -","- C60 H44 O8 -","2","0.5","","Ines Maria Hauptvogel; Ralf Biedermann; Nicole Klein; Irena Senkovska; Amandine Cadiau; Dirk Wallacher; Ralf Feyerherm; Stefan Kaskel","Flexible and Hydrophobic Zn-Based Metal-Organic Framework","Inorganic Chemistry","2011","50","","8367","8374","10.1021/ic200937u","","","0.71073","MoKα","","0.0853","0.0541","","","0.1101","0.1222","","","","","","1.055","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326064","19.5316","0.0008","19.5316","0.0008","9.6779","0.0003","90","","90","","90","","3692","0.2","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","Zn2(adb)2(dabco)","","","- C31 H22 N O4 Zn -","- C31 H22 N O4 Zn -","- C124 H88 N4 O16 Zn4 -","4","0.125","","Ines Maria Hauptvogel; Ralf Biedermann; Nicole Klein; Irena Senkovska; Amandine Cadiau; Dirk Wallacher; Ralf Feyerherm; Stefan Kaskel","Flexible and Hydrophobic Zn-Based Metal-Organic Framework","Inorganic Chemistry","2011","50","","8367","8374","10.1021/ic200937u","","","0.71073","MoKα","","0.0443","0.0396","","","0.1142","0.1166","","","","","","0.926","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326065","4.499","0.0003","4.499","0.0003","10.787","0.0016","90","","90","","90","","218.34","0.04","200","2","200","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- As3 Cd4 Cs -","- As3 Cd4 Cs -","- As3 Cd4 Cs -","1","0.0625","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.014","0.0128","","","0.0288","0.0291","","","","","","1.321","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326066","4.1789","0.001","4.1789","0.001","10.571","0.005","90","","90","","90","","184.6","0.11","200","2","200","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- As3 Cs Zn4 -","- As3 Cs Zn4 -","- As3 Cs Zn4 -","1","0.0625","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.0375","0.0298","","","0.0641","0.0683","","","","","","1.07","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326067","4.0853","0.0003","4.0853","0.0003","10.3326","0.0014","90","","90","","90","","172.45","0.03","200","2","200","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Cs P3 Zn4 -","- Cs P3 Zn4 -","- Cs P3 Zn4 -","1","0.0625","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.0175","0.0151","","","0.0329","0.0334","","","","","","1.142","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326068","4.4714","0.0009","4.4714","0.0009","35.91","0.011","90","","90","","120","","621.8","0.3","200","2","200","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- As3 Cd4 K -","- As3 Cd4 K -","- As9 Cd12 K3 -","3","0.0833333","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.0196","0.0178","","","0.0401","0.0409","","","","","","1.146","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326069","4.3534","0.0007","4.3534","0.0007","35.381","0.008","90","","90","","120","","580.71","0.19","200","2","200","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cd4 K P3 -","- Cd4 K P3 -","- Cd12 K3 P9 -","3","0.0833333","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.0268","0.025","","","0.0674","0.068","","","","","","1.137","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326070","4.0454","0.0005","4.0454","0.0005","34.184","0.006","90","","90","","120","","484.48","0.12","200","2","200","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- K P3 Zn4 -","- K P3 Zn4 -","- K3 P9 Zn12 -","3","0.0833333","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.0265","0.021","","","0.0472","0.0489","","","","","","1.096","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326071","4.4546","0.0007","4.4546","0.0007","33.681","0.008","90","","90","","120","","578.81","0.19","200","2","200","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- As3 Cd4 Na -","- As3 Cd4 Na -","- As9 Cd12 Na3 -","3","0.0833333","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.037","0.0355","","","0.1008","0.102","","","","","","1.191","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326072","4.1694","0.0017","4.1694","0.0017","32.86","0.02","90","","90","","120","","494.7","0.4","200","2","200","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- As3 Na Zn4 -","- As3 Na Zn4 -","- As9 Na3 Zn12 -","3","0.0833333","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.0284","0.0233","","","0.0475","0.049","","","","","","1.043","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326073","4.4752","0.001","4.4752","0.001","36.946","0.012","90","","90","","120","","640.8","0.3","200","2","200","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- As3 Cd4 Rb -","- As3 Cd4 Rb -","- As9 Cd12 Rb3 -","3","0.0833333","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.0231","0.0212","","","0.0442","0.0453","","","","","","1.155","","","","has coordinates,has Fobs","179363","2020-10-21","18:00:00",""
"4326074","4.1714","0.0006","4.1714","0.0006","10.355","0.003","90","","90","","90","","180.18","0.06","200","2","200","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- As3 Rb Zn4 -","- As3 Rb Zn4 -","- As3 Rb Zn4 -","1","0.0625","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.0178","0.0169","","","0.0406","0.0409","","","","","","1.221","","","","has coordinates,has Fobs","179363","2020-10-21","18:00:00",""
"4326075","4.0593","0.0009","4.0593","0.0009","10.069","0.003","90","","90","","90","","165.92","0.07","200","2","200","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- P3 Rb Zn4 -","- P3 Rb Zn4 -","- P3 Rb Zn4 -","1","0.0625","","Hua He; Chauntae Tyson; Svilen Bobev","Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization","Inorganic Chemistry","2011","50","","8375","8383","10.1021/ic2009418","","","0.71073","MoKα","","0.0258","0.0222","","","0.0445","0.0463","","","","","","1.051","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326076","9.8081","0.0004","13.6899","0.0007","14.113","0.0007","93.981","0.002","96.589","0.003","100.781","0.003","1841.2","0.15","130","2","130","2","","","","","","","","8","P -1","-P 1","2","SLM_Fe2cl","SLM_Fe2cl","","- C33 H6 B Cl F20 Fe2 O6 S2 -","- C33 H6 B Cl F20 Fe2 O6 S2 -","- C66 H12 B2 Cl2 F40 Fe4 O12 S4 -","2","1","","Steven L. Matthews; D. Michael Heinekey","An Oxidized Active Site Model for the FeFe Hydrogenase: Reduction with Hydrogen Gas","Inorganic Chemistry","2011","50","","7925","7927","10.1021/ic2009573","","","0.71073","MoKα","","0.0706","0.0463","","","0.1069","0.1172","","","","","","0.996","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326077","9.0235","0.0004","13.5721","0.0006","18.2507","0.0009","99.901","0.003","102.99","0.003","97.502","0.003","2111.89","0.17","110","2","110","2","","","","","","","","7","P -1","-P 1","2","slm_064","","","- C84 H17 B2 F51 Fe4 O12 S4 -","- C84 H17 B2 F51 Fe4 O12 S4 -","- C84 H17 B2 F51 Fe4 O12 S4 -","1","0.5","","Steven L. Matthews; D. Michael Heinekey","An Oxidized Active Site Model for the FeFe Hydrogenase: Reduction with Hydrogen Gas","Inorganic Chemistry","2011","50","","7925","7927","10.1021/ic2009573","","","0.71073","MoKα","","0.072","0.0428","","","0.098","0.1103","","","","","","1.012","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326078","11.1337","0.0004","11.4072","0.0004","12.897","0.0004","65.292","0.002","89.438","0.002","73.899","0.002","1419.04","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H72 N4 O8 S4 -","- C60 H72 N4 O8 S4 -","- C60 H72 N4 O8 S4 -","1","0.5","","Daram Jung; Rie Chamura; Yoichi Habata; Shim Sung Lee","Extra Large Macrocycle: 40-Membered Macrocycle via 2:2 Cyclization and Its Dimercury(II) Complex","Inorganic Chemistry","2011","50","","8392","8396","10.1021/ic2009607","","","0.71073","MoKα","","0.0545","0.0437","","","0.1133","0.1222","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326079","8.5075","0.0005","11.7799","0.0007","13.6194","0.0007","98.079","0.003","96.774","0.002","95.124","0.003","1334.12","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H56 F6 N4 O8 S4 -","- C54 H56 F6 N4 O8 S4 -","- C54 H56 F6 N4 O8 S4 -","1","0.5","","Daram Jung; Rie Chamura; Yoichi Habata; Shim Sung Lee","Extra Large Macrocycle: 40-Membered Macrocycle via 2:2 Cyclization and Its Dimercury(II) Complex","Inorganic Chemistry","2011","50","","8392","8396","10.1021/ic2009607","","","0.71073","MoKα","","0.1226","0.1068","","","0.2439","0.2548","","","","","","1.106","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326080","13.3089","0.0012","25.372","0.002","9.3722","0.0009","90","","102.543","0.005","90","","3089.2","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl2 Hg N3 O10 S2 -","- C27 H30 Cl2 Hg N3 O10 S2 -","- C108 H120 Cl8 Hg4 N12 O40 S8 -","4","1","","Daram Jung; Rie Chamura; Yoichi Habata; Shim Sung Lee","Extra Large Macrocycle: 40-Membered Macrocycle via 2:2 Cyclization and Its Dimercury(II) Complex","Inorganic Chemistry","2011","50","","8392","8396","10.1021/ic2009607","","","0.71073","MoKα","","0.0272","0.024","","","0.063","0.0646","","","","","","1.042","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326081","9.7601","0.0015","25.723","0.004","14.0525","0.0019","90","","114.213","0.009","90","","3217.6","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 F6 Hg2 N8 O8 S6 -","- C60 H60 F6 Hg2 N8 O8 S6 -","- C120 H120 F12 Hg4 N16 O16 S12 -","2","0.5","","Daram Jung; Rie Chamura; Yoichi Habata; Shim Sung Lee","Extra Large Macrocycle: 40-Membered Macrocycle via 2:2 Cyclization and Its Dimercury(II) Complex","Inorganic Chemistry","2011","50","","8392","8396","10.1021/ic2009607","","","0.71073","MoKα","","0.1316","0.0937","","","0.1602","0.1917","","","","","","1.044","","","","has coordinates,has disorder","179363","2020-10-21","18:00:00",""
"4326082","11.697","0.0007","15.1449","0.0009","12.2564","0.0008","90","","109.193","0.001","90","","2050.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 O17 U2 -","- C16 H8 N2 O17 U2 -","- C64 H32 N8 O68 U8 -","4","1","","Rachel C. Severance; Mark D. Smith; Hans-Conrad zur Loye","Three-Dimensional Hybrid Framework Containing U2O13 Dimers Connected via Cation-Cation Interactions","Inorganic Chemistry","2011","50","","7931","7933","10.1021/ic200985m","","","0.71073","MoKα","","0.0416","0.0306","","","0.0611","0.0652","","","","","","1.032","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326083","16.9201","0.0018","16.9808","0.0018","24.707","0.003","76.071","0.002","73.921","0.002","76.239","0.002","6508","1.3","253","2","253","2","","","","","","","","6","P 1","P 1","1","","","","- C211 H368 Cu16 N34 O S24 -","- C211 H320 Cu16 N34 O S24 -","- C211 H320 Cu16 N34 O S24 -","1","1","","Ping-Kuei Liao; Kuan-Guan Liu; Ching-Shiang Fang; C. W. Liu; John P. Fackler; Ying-Yann Wu","A Copper(I) Homocubane Collapses to a Tetracapped Tetrahedron Upon Hydride Insertion","Inorganic Chemistry","2011","50","","8410","8417","10.1021/ic2009896","","","0.71073","MoKα","","0.0613","0.047","","","0.1275","0.1408","","","","","","1.04","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326084","17.156","0.002","17.168","0.002","24.973","0.003","76.09","0.003","73.629","0.003","75.597","0.003","6719.6","1.4","253","2","253","2","","","","","","","","7","P 1","P 1","1","","","","- C210.5 H367 Ag16 Cl N34 O0.5 S24 -","- C210 H334 Ag16 Cl N34 O0.5 S24 -","- C210 H334 Ag16 Cl N34 O0.5 S24 -","1","1","","Ping-Kuei Liao; Kuan-Guan Liu; Ching-Shiang Fang; C. W. Liu; John P. Fackler; Ying-Yann Wu","A Copper(I) Homocubane Collapses to a Tetracapped Tetrahedron Upon Hydride Insertion","Inorganic Chemistry","2011","50","","8410","8417","10.1021/ic2009896","","","0.71073","MoKα","","0.0624","0.0555","","","0.1513","0.1581","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326085","9.6399","0.0002","10.5617","0.0001","17.7407","0.0002","107.103","0.0012","95.2802","0.0012","97.5155","0.0012","1695.23","0.05","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 Ga N3 -","- C37 H56 Ga N3 -","- C74 H112 Ga2 N6 -","2","1","","Jacob Overgaard; Cameron Jones; Deepak Dange; James A. Platts","Experimental Charge Density Analysis of a Gallium(I) N-Heterocyclic Carbene Analogue","Inorganic Chemistry","2011","50","","8418","8426","10.1021/ic2009946","","","0.71073","","","0.035","0.019","","","","0.036","0.019","","","","","0.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326086","15.4109","0.0007","22.591","0.001","26.9272","0.0011","90","","101.913","0.001","90","","9172.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87 H72.5 Cl3 Mn5 N26.5 O14.5 -","- C87 H72.5 Cl3 Mn5 N26.5 O14.5 -","- C348 H290 Cl12 Mn20 N106 O58 -","4","1","","Sophie Romain; Jordi Rich; Cristina Sens; Thibaut Stoll; Jordi Benet-Buchholz; Antoni Llobet; Montserrat Rodriguez; Isabel Romero; Rodolphe Clérac; Corine Mathonière; Carole Duboc; Alain Deronzier; Marie-Noëlle Collomb","Multireversible Redox Processes in Pentanuclear Bis(Triple-Helical) Manganese Complexes Featuring an Oxo-Centered triangular {MnII2MnIII(μ3-O)}5+ or {MnIIMnIII2(μ3-O)}6+ Core Wrapped by Two {MnII2(bpp)3}-","Inorganic Chemistry","2011","50","","8427","8436","10.1021/ic201009z","","","0.71073","MoKα","","0.1059","0.0537","","","0.1253","0.1587","","","","","","1.01","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4326087","25.843","0.005","28.27","0.005","14.482","0.003","90","","93.709","0.003","90","","10558","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H80 Cl4 Mn5 N26 O19 -","- C82 H60 Cl4 Mn5 N26 O17 -","- C328 H240 Cl16 Mn20 N104 O68 -","4","0.5","","Sophie Romain; Jordi Rich; Cristina Sens; Thibaut Stoll; Jordi Benet-Buchholz; Antoni Llobet; Montserrat Rodriguez; Isabel Romero; Rodolphe Clérac; Corine Mathonière; Carole Duboc; Alain Deronzier; Marie-Noëlle Collomb","Multireversible Redox Processes in Pentanuclear Bis(Triple-Helical) Manganese Complexes Featuring an Oxo-Centered triangular {MnII2MnIII(μ3-O)}5+ or {MnIIMnIII2(μ3-O)}6+ Core Wrapped by Two {MnII2(bpp)3}-","Inorganic Chemistry","2011","50","","8427","8436","10.1021/ic201009z","","","0.71073","MoKα","","0.2201","0.0848","","","0.1927","0.2296","","","","","","0.909","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326088","18.5717","0.0009","13.0317","0.0003","13.9718","0.0007","90","","131.145","0.008","90","","2546.4","0.4","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-oxalato)bis(mu-pyrimidine-4,6-dicarboxylato)-k2N1,O:k2N3,O')- tetraacuadithulium(III)]hexahydrate}","","- C7 H12 N2 O11 Tm -","- C7 H12 N2 O11 Tm -","- C56 H96 N16 O88 Tm8 -","8","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0488","0.0215","","","0.0456","0.0481","","","","","","0.798","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326089","18.589","0.003","13.0259","0.001","14.065","0.002","90","","131.74","0.02","90","","2541.2","1","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-oxalato)bis(mu-pyrimidine-4,6-dicarboxylato)-k2N1,O:k2N3,O')- tetraacuadiytterbium(III)]hexahydrate}","","- C7 H12 N2 O11 Yb -","- C7 H12 N2 O11 Yb -","- C56 H96 N16 O88 Yb8 -","8","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0331","0.0218","","","0.0673","0.0688","","","","","","1.024","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326090","7.872","0.0006","13.019","0.0007","12.924","0.0008","90","","94.241","0.006","90","","1320.9","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","poly-{[(mu-oxalato)bis(mu-pyrimidine-4,6-dicarboxylato)-k2N1,O:k2N3,O')- hexaacuadidysprosium(III)]tetrahydrate}","","- C7 H12 Dy N2 O11 -","- C7 H8 Dy N2 O11 -","- C28 H32 Dy4 N8 O44 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0361","0.0246","","","0.0562","0.0585","","","","","","0.978","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326091","7.86","0.0006","12.973","0.0008","12.892","0.0008","90","","94.35","0.006","90","","1310.78","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","poly-{[(mu-oxalato)bis(mu-pyrimidine-4,6-dicarboxylato)-k2N1,O:k2N3,O')- hexaacuadierbium(III)]tetrahydrate}","","- C7 H12 Er N2 O11 -","- C7 H8 Er N2 O11 -","- C28 H32 Er4 N8 O44 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0297","0.0251","","","0.0631","0.0643","","","","","","1.016","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326092","12.135","0.0005","11.0417","0.0004","19.6509","0.0008","90","","90","","90","","2633.04","0.18","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadilanthanum(III)]pentahydrate}","","- C14 H20 La2 N4 O20 -","- C14 H10 La2 N4 O20 -","- C56 H40 La8 N16 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.054","0.0462","","","0.1139","0.1159","","","","","","1.078","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326093","12.056","0.0003","11.036","0.0003","19.561","0.0005","90","","90","","90","","2602.59","0.12","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadicerium(III)]pentahydrate}","","- C14 H20 Ce2 N4 O20 -","- C14 H10 Ce2 N4 O20 -","- C56 H40 Ce8 N16 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0468","0.0355","","","0.0755","0.0771","","","","","","0.95","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326094","12.002","0.0002","11.008","0.0001","19.473","0.0004","90","","90","","90","","2572.73","0.07","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadipraseodymium(III)]pentahydrate}","","- C14 H20 N4 O20 Pr2 -","- C14 H10 N4 O20 Pr2 -","- C56 H40 N16 O80 Pr8 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0434","0.034","","","0.0822","0.0836","","","","","","1.044","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326095","11.946","0.0002","10.989","0.0002","19.402","0.0003","90","","90","","90","","2546.99","0.07","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadineodymium(III)]pentahydrate}","","- C14 H20 N4 Nd2 O20 -","- C14 H10 N4 Nd2 O20 -","- C56 H40 N16 Nd8 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0329","0.0271","","","0.0643","0.0658","","","","","","1.032","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326096","11.868","0.0002","10.962","0.0003","19.307","0.0004","90","","90","","90","","2511.78","0.1","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadisamarium(III)]pentahydrate}","","- C14 H20 N4 O20 Sm2 -","- C14 H10 N4 O20 Sm2 -","- C56 H40 N16 O80 Sm8 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0444","0.0312","","","0.0582","0.0595","","","","","","0.858","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326097","11.828","0.0003","10.943","0.0017","19.261","0.0004","90","","90","","90","","2493","0.4","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadieuropium(III)]pentahydrate}","","- C14 H20 Eu2 N4 O20 -","- C14 H10 Eu2 N4 O20 -","- C56 H40 Eu8 N16 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0394","0.0301","","","0.0608","0.0619","","","","","","0.917","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326098","11.7927","0.0004","10.934","0.0003","19.2152","0.0007","90","","90","","90","","2477.63","0.14","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadigadolinium(III)]pentahydrate}","","- C14 H20 Gd2 N4 O20 -","- C14 H10 Gd2 N4 O20 -","- C56 H40 Gd8 N16 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0412","0.0302","","","0.0543","0.0554","","","","","","0.852","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326099","6.922","0.0011","16.9702","0.0002","9.8262","0.0002","90","","100.154","0.002","90","","1136.18","0.18","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","poly-{[(mu-oxalato)bis(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'')- tetraacuadilanthanum(III)]dihydrate}","","- C7 H8 La N2 O9 -","- C7 H8 La N2 O9 -","- C28 H32 La4 N8 O36 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0251","0.0202","","","0.0463","0.047","","","","","","0.961","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326100","9.665","0.003","14.257","0.004","22.127","0.006","90","","90","","90","","3049","1.5","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Cl Cu Fe N4 O7 -","- C32 H31 Cl Cu Fe N4 O7 -","- C128 H124 Cl4 Cu4 Fe4 N16 O28 -","4","1","","Tridib K. Goswami; Balabhadrapatruni V. S. K. Chakravarthi; Mithun Roy; Anjali A. Karande; Akhil R. Chakravarty","Ferrocene-Conjugated l-Tryptophan Copper(II) Complexes of Phenanthroline Bases Showing DNA Photocleavage Activity and Cytotoxicity","Inorganic Chemistry","2011","50","","8452","8464","10.1021/ic201028e","","","0.71073","MoKα","","0.045","0.032","","","0.0683","0.072","","","","","","0.996","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326101","10.9338","0.0006","12.0549","0.0006","22.5692","0.0012","90","","90","","90","","2974.8","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Cl Cu N4 O7 -","- C30 H25 Cl Cu N4 O7 -","- C120 H100 Cl4 Cu4 N16 O28 -","4","1","","Tridib K. Goswami; Balabhadrapatruni V. S. K. Chakravarthi; Mithun Roy; Anjali A. Karande; Akhil R. Chakravarty","Ferrocene-Conjugated l-Tryptophan Copper(II) Complexes of Phenanthroline Bases Showing DNA Photocleavage Activity and Cytotoxicity","Inorganic Chemistry","2011","50","","8452","8464","10.1021/ic201028e","","","0.71073","MoKα","","0.0962","0.0381","","","0.092","0.1202","","","","","","0.993","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326102","7.327","0.0003","7.3012","0.0003","10.2689","0.0004","90","","90","","90","","549.34","0.04","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cesium Tellurium Oxide","","- Cs O5.74 Te2 -","- Cs O5.743 Te1.999 -","- Cs4 O22.972 Te7.996 -","4","0.5","","Theeranun Siritanon; Jun Li; Judith K. Stalick; Robin T. Macaluso; Arthur W. Sleight; M. A. Subramanian","CsTe2O6-x: Novel Mixed-Valence Tellurium Oxides with Framework-Deficient Pyrochlore-Related Structure","Inorganic Chemistry","2011","50","","8494","8501","10.1021/ic2010375","powder diffraction","neutron","1.5401","neutron","","0.0627","0.0601","","","0.0739","0.0804","","","","","","1.74","","","","has coordinates","190393","2020-10-21","18:00:00",""
"4326103","7.2692","0.0003","7.2692","0.0003","18.3029","0.0013","90","","90","","120","","837.58","0.08","110","2","110","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cesium Tellurium Oxide","","- Cs O6 Te2 -","- Cs O6 Te2 -","- Cs6 O36 Te12 -","6","0.166667","","Theeranun Siritanon; Jun Li; Judith K. Stalick; Robin T. Macaluso; Arthur W. Sleight; M. A. Subramanian","CsTe2O6-x: Novel Mixed-Valence Tellurium Oxides with Framework-Deficient Pyrochlore-Related Structure","Inorganic Chemistry","2011","50","","8494","8501","10.1021/ic2010375","","","0.71073","MoKα","","0.0177","0.0166","","","0.0401","0.0407","","","","","","1.22","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326104","7.2787","0.0001","7.2787","0.0001","18.2996","0.0003","90","","90","","120","","839.61","0.02","298","2","298","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cesium Tellurium Oxide","","- Cs O6 Te2 -","- Cs O6 Te2 -","- Cs6 O36 Te12 -","6","0.166667","","Theeranun Siritanon; Jun Li; Judith K. Stalick; Robin T. Macaluso; Arthur W. Sleight; M. A. Subramanian","CsTe2O6-x: Novel Mixed-Valence Tellurium Oxides with Framework-Deficient Pyrochlore-Related Structure","Inorganic Chemistry","2011","50","","8494","8501","10.1021/ic2010375","powder diffraction","neutron","1.5401","neutron","","0.0574","0.0551","","","0.0642","0.0729","","","","","","0.96","","","","has coordinates","190393","2020-10-21","18:00:00",""
"4326105","10.3207","0.0015","10.3207","0.0015","10.3207","0.0015","90","","90","","90","","1099.3","0.3","233","2","233","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cesium Tellurium Oxide","","- Cs O5.784 Te2 -","- Cs O5.784 Te2 -","- Cs8 O46.272 Te16 -","8","0.0416667","","Theeranun Siritanon; Jun Li; Judith K. Stalick; Robin T. Macaluso; Arthur W. Sleight; M. A. Subramanian","CsTe2O6-x: Novel Mixed-Valence Tellurium Oxides with Framework-Deficient Pyrochlore-Related Structure","Inorganic Chemistry","2011","50","","8494","8501","10.1021/ic2010375","","","0.71073","MoKα","","0.0297","0.0297","","","0.0642","0.0642","","","","","","1.514","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326106","10.341","0.0001","10.341","0.0001","10.341","0.0001","90","","90","","90","","1105.83","0.019","298","2","298","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cesium Tellurium Oxide","","- Cs O5.82 Te2 -","- Cs O5.82 Te2 -","- Cs8 O46.56 Te16 -","8","0.0416667","","Theeranun Siritanon; Jun Li; Judith K. Stalick; Robin T. Macaluso; Arthur W. Sleight; M. A. Subramanian","CsTe2O6-x: Novel Mixed-Valence Tellurium Oxides with Framework-Deficient Pyrochlore-Related Structure","Inorganic Chemistry","2011","50","","8494","8501","10.1021/ic2010375","powder diffraction","neutron","1.5401","neutron","","0.0642","0.0623","","","0.0711","0.0819","","","","","","1.54","","","","has coordinates","190393","2020-10-21","18:00:00",""
"4326107","13.0585","0.0003","13.0585","0.0003","21.1922","0.0005","90","","90","","120","","3129.63","0.13","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","Tris{η^3^-μ-1,3-bis[(2-pyridyl)methyl]-4,5-dihydroimidazol-2- ylidene}trisilver(I) tetrafluoroborate acetonitrile tetrasolvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(2-pyridyl-κN)methyl]- 4,5-dihydro-2<i>H</i>-imidazol-2-ylidene-κC}trisilver(I) 3(Ag—Ag) tetrafluoroborate ethanenitrile tetrasolvate","","- C53 H60 Ag3 B3 F12 N16 -","- C53 H59.97 Ag3 B3 F12 N16 -","- C106 H119.94 Ag6 B6 F24 N32 -","2","0.333333","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.0482","0.0373","","","0.1097","0.1154","","","","","","1.089","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326108","11.5777","0.0005","35.4318","0.0015","12.3604","0.0006","90","","91.321","0.004","90","","5069.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tris{η^3^-μ-1,3-bis[(2-pyridyl)methyl]imidazol-2- ylidene}tricopper(I) tetrafluoroborate acetonitrile hemisolvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(2-pyridyl-κN)methyl]-2<i>H</i>- imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate ethanenitrile hemisolvate","","- C46 H22.5 B3 Cu3 F12 N7.5 -","- C46 H43.5 B3 Cu3 F12 N12.5 -","- C184 H174 B12 Cu12 F48 N50 -","4","1","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.1164","0.0509","","","0.0981","0.1136","","","","","","0.937","","","","has coordinates","194622","2020-10-21","18:00:00",""
"4326109","11.7873","0.0004","16.9609","0.0006","22.4002","0.0007","98.585","0.002","104.722","0.002","95.493","0.002","4240.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Tris{η^3^-μ-1,3-bis[(3,4-dimethoxy-2-pyridyl)methyl]imidazol-2- ylidene}tricopper(I) tetrafluoroborate 6.5 acetonitrile solvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(3,4-dimethoxy-2-pyridyl-κN)methyl]- 2<i>H</i>-imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate 6.5 acetonitrile solvate","","- C70 H85.5 B3 Cu3 F12 N18.5 O12 -","- C70 H81 B3 Cu3 F12 N18.5 O12 -","- C140 H162 B6 Cu6 F24 N37 O24 -","2","1","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.0954","0.0645","","","0.1912","0.209","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326110","12.026","0.0001","26.5274","0.0003","24.3308","0.0002","90","","99.161","0.001","90","","7662.97","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Tris{η^3^-μ-1,3-bis[(3,4-dimethoxy-2-pyridyl)methyl]imidazol-2- ylidene}tricopper(I) tetrafluoroborate propionitrile trisolvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(3,4-dimethoxy-2-pyridyl-κN)methyl]- 2<i>H</i>-imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate propanenitrile trisolvate","","- C66 H81 B3 Cu3 F12 N15 O12 -","- C66 H81 B3 Cu3 F12 N15 O12 -","- C264 H324 B12 Cu12 F48 N60 O48 -","4","1","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.0827","0.0548","","","0.1495","0.1712","","","","","","1.031","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326111","13.1899","0.0007","20.8644","0.0011","28.1272","0.0016","90","","100.51","0.002","90","","7610.7","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Tris{η^3^-μ-1,3-bis[(4-methoxy-3,5-dimethyl-2- pyridyl)methyl]imidazol-2-ylidene}tricopper(I) tetrafluoroborate dichloromethane trisolvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(4-methoxy-4,5-dimethyl-2- pyridyl-κN)methyl]-2<i>H</i>-imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate dichloromethane trisolvate","","- C66 H84 B3 Cl6 Cu3 F12 N12 O6 -","- C66 H82 B3 Cl6.01 Cu3 F12 N12 O6 -","- C264 H328 B12 Cl24.04 Cu12 F48 N48 O24 -","4","0.5","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.0884","0.0682","","","0.1995","0.21","","","","","","1.067","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326112","12.9314","0.0002","12.9314","0.0002","31.063","0.0006","90","","90","","120","","4498.47","0.13","99","2","100","2","","","","","","","","6","R 3 :H","R 3","146","Tris{η^3^-μ-1,3-bis[(3,4-dimethoxy-2-pyridyl)methyl]-4,5- dihydroimidazol-2-ylidene}tricopper(I) tetrafluoroborate ethanenitrile trisolvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(2-pyridyl-κN)methyl]-4,5-didydro- 2<i>H</i>-imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate ethanenitrile trisolvate","","- C51 H57 B3 Cu3 F12 N15 -","- C50.9998 H56.9991 B3 Cu3 F12 N14.9999 -","- C152.999 H170.997 B9 Cu9 F36 N44.9997 -","3","0.333333","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.0586","0.0531","","","0.1563","0.1632","","","","","","1.137","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326113","28.9522","0.0005","13.0597","0.0002","22.8804","0.0004","90","","110.102","0.001","90","","8124.2","0.2","99","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Tris{η^3^-μ-1,3-bis[(3,4-dimethoxy-2-pyridyl)methyl]imidazol- 2-ylidene}trisilver(I) tetrafluoroborate (diethyl ether) acetonitrile tetrasolvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(3,4-dimethoxy-2- pyridyl-κN)methyl]-2<i>H</i>-imidazol-2-ylidene-κC}trisilver(I) 3(Ag—Ag) tetrafluoroborate (diethyl ether) ethanenitrile tetrasolvate","","- C69 H88 Ag3 B3 F12 N16 O13 -","- C69 H88 Ag3 B3 F12 N16 O13 -","- C276 H352 Ag12 B12 F48 N64 O52 -","4","1","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.1037","0.0532","","","0.1186","0.1343","","","","","","1.071","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326114","12.5762","0.0001","12.5762","0.0001","42.7806","0.0004","90","","90","","120","","5859.71","0.09","99","2","100","2","","","","","","","","7","P 31","P 31","144","Tris{η^3^-μ-1,3-bis[(4-methoxy-3,5-dimethyl-2- pyridyl)methyl]imidazol-2-ylidene}trisilver(I) tetrafluoroborate (diethyl ether) propionitrile solvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(4-methoxy-4,5-dimethyl-2- pyridyl-κN)methyl]-2<i>H</i>-imidazol-2-ylidene-κC}trisilver(I) 3(Ag—Ag) tetrafluoroborate (diethyl ether) propanenitrile solvate","","- C70 H93 Ag3 B3 F12 N13 O7 -","- C70 H93 Ag3 B3 F12 N13 O7 -","- C210 H279 Ag9 B9 F36 N39 O21 -","3","1","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.045","0.0379","","","0.0719","0.074","","","","","","1.058","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326115","13.4196","0.0003","13.4196","0.0003","19.946","0.0005","90","","90","","120","","3110.75","0.13","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","Tris{η^3^-μ-1,3-bis{[6-(methoxycarbonyl)-2-pyridyl]methyl}imidazol-2- ylidene}trisilver(I) tetrafluoroborate acetonitrile solvate","Triangulo-tris{η^3^-μ~2~-1,3-bis{[6-(methoxycarbonyl)-2-pyridyl- κN]methyl}-2<i>H</i>-imidazol-2-ylidene-κC}trisilver(I) 3(Ag—Ag) tetrafluoroborate ethanenitrile solvate","","- C59 H57 Ag3 B3 F12 N13 O12 -","- C59 H54 Ag3 B3 F12 N13 O12 -","- C118 H108 Ag6 B6 F24 N26 O24 -","2","0.166667","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.0688","0.0564","","","0.1311","0.1359","","","","","","1.112","","","","has coordinates","194622","2020-10-21","18:00:00",""
"4326116","10.5937","0.0006","22.9086","0.0013","12.0364","0.001","90","","90","","90","","2921.1","0.3","123","","123","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C5 As3 O5 P S3 W -","- C5 As3 O5 P S3 W -","- C40 As24 O40 P8 S24 W8 -","8","1","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers","Inorganic Chemistry","2011","50","","8477","8483","10.1021/ic201060b","","x-ray","1.54184","CuKα","","0.0509","0.0434","","","0.136","0.1417","","","","","","1.015","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326117","13.314","0.0002","13.314","0.0002","21.1719","0.0006","90","","90","","120","","3250.18","0.12","123","","123","","","","","","","","see text","5","P 3 1 c","P 3 -2c","159","","","","- As12 Cl Cu P4 S12 -","- As12 Cl Cu P4 S12 -","- As48 Cl4 Cu4 P16 S48 -","4","0.666667","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers","Inorganic Chemistry","2011","50","","8477","8483","10.1021/ic201060b","","x-ray","1.54178","CuKα","","0.0468","0.0459","","","0.1161","0.1168","","","","","","1.062","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326118","13.41427","0.00008","13.41427","0.00008","21.48248","0.00012","90","","90","","120","","3347.72","0.03","295","","295","","","","","","","","see text","5","P 3 1 c","P 3 -2c","159","","","","- As12 Br Cu P4 S12 -","- As12 Br Cu P4 S12 -","- As48 Br4 Cu4 P16 S48 -","4","0.666667","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers","Inorganic Chemistry","2011","50","","8477","8483","10.1021/ic201060b","","x-ray","1.5418","CuKα","","0.0347","0.0344","","","0.0953","0.0959","","","","","","1.094","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326119","12.0197","0.0003","13.7741","0.0003","15.8949","0.0004","90","","91.677","0.002","90","","2630.44","0.11","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- As9 Cu2 I2 P3 S9 -","- As9 Cu2 I2 P3 S9 -","- As36 Cu8 I8 P12 S36 -","4","1","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers","Inorganic Chemistry","2011","50","","8477","8483","10.1021/ic201060b","","x-ray","1.54184","CuKα","","0.0726","0.0572","","","0.1538","0.1619","","","","","","0.968","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326120","18.0976","0.0004","31.8251","0.0006","35.4893","0.0011","90","","96.918","0.001","90","","20291.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86.5 H64.5 Cl8 N8.5 O22 Zn8 -","- C86.5 H64.5 Cl8 N8.5 O22 Zn8 -","- C692 H516 Cl64 N68 O176 Zn64 -","8","2","","Robert M. Haak; Antonello Decortes; Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Jordi Benet-Buchholz; Arjan W. Kleij","Shape-Persistent Octanuclear Zinc Salen Clusters: Synthesis, Characterization, and Catalysis","Inorganic Chemistry","2011","50","","7934","7936","10.1021/ic201064d","","","0.71073","MoKα","","0.0764","0.0498","","","0.1368","0.1459","","","","","","1.082","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4326121","16.4536","0.0012","16.4536","0.0012","40.86","0.003","90","","90","","90","","11061.7","1.4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C120 H100 N12 O20 Zn8 -","- C120 H100 N12 O20 Zn8 -","- C480 H400 N48 O80 Zn32 -","4","0.5","","Robert M. Haak; Antonello Decortes; Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Jordi Benet-Buchholz; Arjan W. Kleij","Shape-Persistent Octanuclear Zinc Salen Clusters: Synthesis, Characterization, and Catalysis","Inorganic Chemistry","2011","50","","7934","7936","10.1021/ic201064d","","","0.71073","MoKα","","0.0422","0.0308","","","0.0763","0.0837","","","","","","1.024","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4326122","18.2189","0.0018","18.2189","0.0018","13.45","0.0015","90","","90","","90","","4464.4","0.8","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C92 H80 N12 O24 Zn8 -","- C92 H80 N12 O24 Zn8 -","- C184 H160 N24 O48 Zn16 -","2","0.25","","Robert M. Haak; Antonello Decortes; Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Jordi Benet-Buchholz; Arjan W. Kleij","Shape-Persistent Octanuclear Zinc Salen Clusters: Synthesis, Characterization, and Catalysis","Inorganic Chemistry","2011","50","","7934","7936","10.1021/ic201064d","","","0.71073","MoKα","","0.057","0.0388","","","0.1004","0.117","","","","","","1.179","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4326123","11.7325","0.001","12.3614","0.0011","29.351","0.003","90","","92.051","0.001","90","","4254.1","0.7","127","2","127","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KM5","","","- C37 H48 B3 Dy N12 -","- C37 H48 B3 Dy N12 -","- C148 H192 B12 Dy4 N48 -","4","1","","Katie R. Meihaus; Jeffrey D. Rinehart; Jeffrey R. Long","Dilution-Induced Slow Magnetic Relaxation and Anomalous Hysteresis in trigonal Prismatic Dysprosium(III) and Uranium(III) Complexes","Inorganic Chemistry","2011","50","","8484","8489","10.1021/ic201078r","","","0.71073","MoKα","","0.0455","0.0316","","","0.0788","0.0853","","","","","","1.047","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326124","11.704","0.005","12.442","0.005","29.007","0.005","90","0.005","91.263","0.005","90","0.005","4223","3","156","2","156","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KM7","","","- C37 H56 B3 N12 Y -","- C37 H56 B3 N12 Y -","- C148 H224 B12 N48 Y4 -","4","1","","Katie R. Meihaus; Jeffrey D. Rinehart; Jeffrey R. Long","Dilution-Induced Slow Magnetic Relaxation and Anomalous Hysteresis in trigonal Prismatic Dysprosium(III) and Uranium(III) Complexes","Inorganic Chemistry","2011","50","","8484","8489","10.1021/ic201078r","","","0.71069","MoKα","","0.0594","0.0447","","","0.118","0.1268","","","","","","1.033","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326125","15.4231","0.0003","18.8135","0.0004","23.9576","0.0005","90","","90","","90","","6951.6","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","co","","- C36 H44 Cl2 Co N2 O Si -","- C36 H44 Cl2 Co N2 O Si -","- C288 H352 Cl16 Co8 N16 O8 Si8 -","8","1","","Rajendra S. Ghadwal; Ramachandran Azhakar; Kevin Pröpper; Julian J. Holstein; Birger Dittrich; Herbert W. Roesky","N-Heterocyclic Carbene Stabilized Dichlorosilylene Transition-Metal Complexes of V(I), Co(I), and Fe(0)","Inorganic Chemistry","2011","50","","8502","8508","10.1021/ic201096c","","","1.54178","CuKα","","0.031","0.024","","","","0.027","","","","","","2.236","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326126","33.7046","0.0011","38.9594","0.0013","10.2939","0.0004","90","","90","","90","","13517","0.8","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C31 H36 Cl2 Fe N2 O4 Si -","- C31 H36 Cl2 Fe N2 O4 Si -","- C496 H576 Cl32 Fe16 N32 O64 Si16 -","16","1","","Rajendra S. Ghadwal; Ramachandran Azhakar; Kevin Pröpper; Julian J. Holstein; Birger Dittrich; Herbert W. Roesky","N-Heterocyclic Carbene Stabilized Dichlorosilylene Transition-Metal Complexes of V(I), Co(I), and Fe(0)","Inorganic Chemistry","2011","50","","8502","8508","10.1021/ic201096c","","","1.54178","CuKα","","0.067","0.052","","","","0.06","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326127","10.2337","0.0002","19.3235","0.0003","20.225","0.0004","90","","92.792","0.001","90","","3994.76","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Cl2 N2 O3 Si V -","- C42 H49 Cl2 N2 O3 Si V -","- C168 H196 Cl8 N8 O12 Si4 V4 -","4","1","","Rajendra S. Ghadwal; Ramachandran Azhakar; Kevin Pröpper; Julian J. Holstein; Birger Dittrich; Herbert W. Roesky","N-Heterocyclic Carbene Stabilized Dichlorosilylene Transition-Metal Complexes of V(I), Co(I), and Fe(0)","Inorganic Chemistry","2011","50","","8502","8508","10.1021/ic201096c","","","1.54178","CuKα","","0.056","0.041","","","","0.056","","","","","","4.171","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326128","10.977","0.0018","14","0.002","16.027","0.003","83.475","0.003","88.023","0.003","74.495","0.003","2358","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Br N6 O3 Re -","- C16 H18 Br N6 O3 Re -","- C64 H72 Br4 N24 O12 Re4 -","4","2","","Laura Ion; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Jesús Díaz; Ramón López; Kirsty M. Anderson; Jonathan W. Steed","Two Different Hydrogen Bond Donor Ligands Together: A Selectivity Improvement in Organometallic {Re(CO)3} Anion Hosts","Inorganic Chemistry","2011","50","","8524","8531","10.1021/ic201120s","","","0.71073","MoKα","","0.0439","0.0295","","","0.0547","0.0577","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326129","31.69","0.03","7.2","0.006","18.848","0.017","90","","105.62","0.03","90","","4142","6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N7 O6 Re -","- C16 H18 N7 O6 Re -","- C128 H144 N56 O48 Re8 -","8","2","","Laura Ion; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Jesús Díaz; Ramón López; Kirsty M. Anderson; Jonathan W. Steed","Two Different Hydrogen Bond Donor Ligands Together: A Selectivity Improvement in Organometallic {Re(CO)3} Anion Hosts","Inorganic Chemistry","2011","50","","8524","8531","10.1021/ic201120s","","","0.71073","MoKα","","0.2391","0.2185","","","0.4768","0.4849","","","","","","1.281","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326130","11.563","0.003","14.051","0.004","14.491","0.004","90","","112.798","0.005","90","","2170.4","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N6 O7 Re2 -","- C16 H18 N6 O7 Re2 -","- C64 H72 N24 O28 Re8 -","4","1","","Laura Ion; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Jesús Díaz; Ramón López; Kirsty M. Anderson; Jonathan W. Steed","Two Different Hydrogen Bond Donor Ligands Together: A Selectivity Improvement in Organometallic {Re(CO)3} Anion Hosts","Inorganic Chemistry","2011","50","","8524","8531","10.1021/ic201120s","","","0.71073","MoKα","","0.0406","0.0305","","","0.0624","0.0659","","","","","","1.032","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326131","10.645","0.003","32.016","0.008","13.969","0.003","90","","106.057","0.004","90","","4575","2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N6 O3 Re -","- C16 H18 Cl N6 O3 Re -","- C128 H144 Cl8 N48 O24 Re8 -","8","4","","Laura Ion; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Jesús Díaz; Ramón López; Kirsty M. Anderson; Jonathan W. Steed","Two Different Hydrogen Bond Donor Ligands Together: A Selectivity Improvement in Organometallic {Re(CO)3} Anion Hosts","Inorganic Chemistry","2011","50","","8524","8531","10.1021/ic201120s","","","0.71073","MoKα","","0.1382","0.0981","","","0.259","0.2866","","","","","","1.021","","","","has coordinates","207199","2020-10-21","18:00:00",""
"4326132","17.646","0.004","9.641","0.0019","12.888","0.003","90","","103.27","0.03","90","","2134","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br N6 O4 Re -","- C18 H20 Br N6 O4 Re -","- C72 H80 Br4 N24 O16 Re4 -","4","1","","Laura Ion; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Jesús Díaz; Ramón López; Kirsty M. Anderson; Jonathan W. Steed","Two Different Hydrogen Bond Donor Ligands Together: A Selectivity Improvement in Organometallic {Re(CO)3} Anion Hosts","Inorganic Chemistry","2011","50","","8524","8531","10.1021/ic201120s","","","0.71073","MoKα","","0.036","0.0271","","","0.0619","0.0648","","","","","","1.072","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326133","11.232","0.012","11.308","0.013","16.777","0.017","103.46","0.04","106.63","0.04","90.97","0.04","1978","4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 Fe4 N16 O8 -","- C24 H36 Fe4 N16 O8 -","- C48 H72 Fe8 N32 O16 -","2","1","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","0.71073","MoKα","","0.2772","0.0807","","","0.1588","0.2481","","","","","","1.002","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326134","12.475","0.004","7.795","0.003","15.156","0.005","90","","110.443","0.004","90","","1381","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe N4 O3 -","- C10 H16 Fe N4 O3 -","- C40 H64 Fe4 N16 O12 -","4","1","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","0.71073","mokα","","0.0549","0.0399","","","0.103","0.1129","","","","","","0.951","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326135","7.193","0.011","7.831","0.012","9.45","0.015","76.02","0.016","71.134","0.016","76.597","0.016","481.9","1.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Fe N4 O3 -","- C6 H8 Fe N4 O3 -","- C12 H16 Fe2 N8 O6 -","2","1","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","0.71073","MoKα","","0.1202","0.106","","","0.2754","0.3008","","","","","","1.125","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326136","9.306","0.006","14.002","0.01","16.898","0.018","90","","90","","90","","2202","3","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H32 Fe N6 O2 -","- C18 H32 Fe N6 O2 -","- C72 H128 Fe4 N24 O8 -","4","0.5","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","0.71073","MoKα","","0.0927","0.0573","","","0.1463","0.1731","","","","","","1.033","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326137","13.173","0.007","8.929","0.005","11.84","0.008","90","","100.476","0.01","90","","1369.4","1.4","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H16 Fe N6 O2 -","- C10 H16 Fe N6 O2 -","- C40 H64 Fe4 N24 O8 -","4","1","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","0.71073","MoKα","","0.0664","0.0579","","","0.1268","0.1296","","","","","","1.068","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326138","9.1037","0.0016","15.299","0.003","11.452","0.003","90","","96.194","0.01","90","","1585.7","0.6","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H16 B F4 Fe N5 O3 -","- C9 H16 B F4 Fe N5 O3 -","- C36 H64 B4 F16 Fe4 N20 O12 -","4","1","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","1.54178","CuKα","","0.0469","0.0428","","","0.1083","0.1118","","","","","","1.085","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326139","9.268","0.003","10.074","0.003","10.983","0.004","91.349","0.004","97.626","0.004","117.24","0.004","899.5","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 Fe N4 O2 S -","- C15 H21 Fe N4 O2 S -","- C30 H42 Fe2 N8 O4 S2 -","2","1","","Jennifer L. Hess; Chung-Hung Hsieh; Joseph H. Reibenspies; Marcetta Y. Darensbourg","N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes","Inorganic Chemistry","2011","50","","8541","8552","10.1021/ic201138f","","","0.71073","MoKα","","0.0938","0.0496","","","0.0959","0.1128","","","","","","0.962","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326140","10.1381","0.0009","10.9317","0.0009","23.438","0.002","78.951","0.001","80.774","0.001","89.706","0.001","2515.5","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H34 B O2 P -","- C28 H34 B O2 P -","- C112 H136 B4 O8 P4 -","4","4","","Hongsui Sun; Jamie S. Ritch; Paul G. Hayes","Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold","Inorganic Chemistry","2011","50","","8063","8072","10.1021/ic201139b","","","0.71073","MoKα","","0.0554","0.0416","","","0.1017","0.1076","","","","","","0.971","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326141","9.2839","0.0008","10.498","0.0007","13.7598","0.0008","96.53","0.001","101.059","0.001","100.442","0.001","1278.95","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 N O P -","- C31 H32 N O P -","- C62 H64 N2 O2 P2 -","2","1","","Hongsui Sun; Jamie S. Ritch; Paul G. Hayes","Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold","Inorganic Chemistry","2011","50","","8063","8072","10.1021/ic201139b","","","0.71073","MoKα","","0.057","0.0375","","","0.0886","0.0941","","","","","","1.009","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326142","8.8919","0.0009","9.5874","0.001","13.7484","0.0014","81.417","0.001","77.165","0.001","84.327","0.001","1127.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N O P -","- C28 H26 N O P -","- C56 H52 N2 O2 P2 -","2","1","","Hongsui Sun; Jamie S. Ritch; Paul G. Hayes","Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold","Inorganic Chemistry","2011","50","","8063","8072","10.1021/ic201139b","","","0.71073","MoKα","","0.0396","0.0353","","","0.0981","0.1017","","","","","","1.041","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326143","12.4247","0.001","12.4483","0.001","16.2906","0.0013","77.596","0.001","85.955","0.001","89.218","0.001","2454.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H33 B F20 N O P -","- C55 H33 B F20 N O P -","- C110 H66 B2 F40 N2 O2 P2 -","2","1","","Hongsui Sun; Jamie S. Ritch; Paul G. Hayes","Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold","Inorganic Chemistry","2011","50","","8063","8072","10.1021/ic201139b","","","0.71073","MoKα","","0.0535","0.0359","","","0.0905","0.0974","","","","","","1.039","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326144","9.865","0.002","22.917","0.005","23.616","0.005","90","","97.384","0.003","90","","5294.7","1.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H53 B N O P -","- C55 H53 B N O P -","- C220 H212 B4 N4 O4 P4 -","4","1","","Hongsui Sun; Jamie S. Ritch; Paul G. Hayes","Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold","Inorganic Chemistry","2011","50","","8063","8072","10.1021/ic201139b","","","0.71073","MoKα","","0.1198","0.0702","","","0.1956","0.2095","","","","","","0.969","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326145","10.5058","0.0016","11.3748","0.0018","18.371","0.003","81.683","0.002","88.606","0.002","83.53","0.002","2158.4","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H49 B Cl2 N O P -","- C53 H49 B Cl2 N O P -","- C106 H98 B2 Cl4 N2 O2 P2 -","2","1","","Hongsui Sun; Jamie S. Ritch; Paul G. Hayes","Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold","Inorganic Chemistry","2011","50","","8063","8072","10.1021/ic201139b","","","0.71073","MoKα","","0.0563","0.0477","","","0.1327","0.1387","","","","","","1.081","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326146","12.079","0.002","18.917","0.003","15.912","0.003","90","","96.948","0.002","90","","3609.2","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 N O P Zn -","- C43 H42 N O P Zn -","- C172 H168 N4 O4 P4 Zn4 -","4","1","","Hongsui Sun; Jamie S. Ritch; Paul G. Hayes","Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold","Inorganic Chemistry","2011","50","","8063","8072","10.1021/ic201139b","","","0.71073","MoKα","","0.0322","0.0266","","","0.0759","0.0778","","","","","","1.078","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326147","11.6555","0.0017","13.0431","0.0019","15.381","0.002","90","","90","","90","","2338.3","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Fe N7 S2 -","- C22 H21 Fe N7 S2 -","- C88 H84 Fe4 N28 S8 -","4","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0501","0.0384","","","0.0679","0.0703","","","","","","0.908","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326148","9.6105","0.0016","15.7271","0.0017","16.174","0.003","74.409","0.011","88.297","0.013","76.72","0.011","2290.4","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Fe2 N12 O S4 -","- C42 H39 Fe2 N12 O S4 -","- C84 H78 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.1233","0.0448","","","0.0804","0.0916","","","","","","0.763","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326149","9.5388","0.0004","15.6249","0.0007","15.9598","0.0008","74.567","0.004","88.397","0.004","76.52","0.004","2228.28","0.19","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Fe2 N12 O S4 -","- C42 H39 Fe2 N12 O S4 -","- C84 H78 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.1188","0.0468","","","0.0813","0.0913","","","","","","0.775","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326150","9.4671","0.0005","15.5262","0.0008","15.8017","0.0009","74.795","0.005","88.664","0.004","76.191","0.005","2174.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Fe2 N12 O S4 -","- C42 H42 Fe2 N12 O S4 -","- C84 H84 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0767","0.044","","","0.0882","0.0937","","","","","","0.859","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326151","12.3008","0.0008","11.9241","0.0008","17.6916","0.0011","90","","92.704","0.005","90","","2592","0.3","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C92 H104 Fe4 N24 O4 S8 -","4","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0621","0.0416","","","0.1098","0.1152","","","","","","1.01","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326152","12.134","0.002","11.987","0.002","16.925","0.002","90","","90.137","0.017","90","","2461.7","0.6","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C92 H104 Fe4 N24 O4 S8 -","4","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.116","0.0913","","","0.1977","0.2081","","","","","","1.1","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326153","12.3112","0.0007","11.9321","0.0006","17.8403","0.0012","90","","93","0.005","90","","2617.1","0.3","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C92 H104 Fe4 N24 O4 S8 -","4","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.1123","0.0501","","","0.0991","0.1096","","","","","","0.804","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326154","12.0961","0.0007","12.0174","0.0007","16.9756","0.0009","90","","90.37","0.005","90","","2467.6","0.2","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C92 H104 Fe4 N24 O4 S8 -","4","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0716","0.0399","","","0.0825","0.0883","","","","","","0.802","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326155","17.6596","0.0006","35.1067","0.0014","12.1038","0.0004","90","","90","","90","","7504","0.5","240","2","240","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Cl2 Fe N6 S2 -","- C21 H20 Cl2 Fe N6 S2 -","- C252 H240 Cl24 Fe12 N72 S24 -","12","3","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.1354","0.0651","","","0.1345","0.1575","","","","","","0.916","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326156","17.0392","0.0006","35.14","0.0014","11.8609","0.0004","90","","90","","90","","7101.8","0.4","104","2","104","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Cl2 Fe N6 S2 -","- C21 H20 Cl2 Fe N6 S2 -","- C252 H240 Cl24 Fe12 N72 S24 -","12","3","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0966","0.0643","","","0.1271","0.1358","","","","","","1.014","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326157","17.7299","0.0005","12.3466","0.0003","23.2982","0.0006","90","","92.809","0.002","90","","5093.9","0.2","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl3 Fe N6 S2 -","- C21 H19 Cl3 Fe N6 S2 -","- C168 H152 Cl24 Fe8 N48 S16 -","8","2","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0673","0.0366","","","0.0734","0.0779","","","","","","0.885","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326158","17.445","0.0005","12.2726","0.0004","23.1066","0.0007","90","","93.138","0.003","90","","4939.6","0.3","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl3 Fe N6 S2 -","- C21 H19 Cl3 Fe N6 S2 -","- C168 H152 Cl24 Fe8 N48 S16 -","8","2","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0454","0.0298","","","0.0596","0.0617","","","","","","0.923","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326159","9.4637","0.0005","15.5046","0.0006","15.7993","0.0008","74.902","0.004","88.762","0.004","76.232","0.004","2171.9","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Fe2 N12 O S4 -","- C42 H37 Fe2 N12 O S4 -","- C84 H74 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0727","0.0509","","","0.1077","0.122","","","","","","1.029","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326160","9.4352","0.00018","15.495","0.0003","15.7576","0.0003","74.105","0.0007","87.817","0.0007","75.872","0.0007","2147.61","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H40 Fe2 N12 O S4 -","- C82 H80 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0375","0.0291","","","0.0713","0.0752","","","","","","1.049","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326161","9.4181","0.0004","15.4782","0.0005","15.7959","0.0005","74.253","0.001","87.812","0.0012","75.857","0.001","2148.08","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H40 Fe2 N12 O S4 -","- C82 H80 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0581","0.0387","","","0.09","0.1042","","","","","","1.064","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326162","9.4151","0.0008","15.4767","0.0012","15.7692","0.0012","74.19","0.0017","87.815","0.002","75.824","0.002","2142.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H37 Fe2 N12 O S4 -","- C82 H74 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.146","0.0748","","","0.1802","0.2429","","","","","","1.023","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326163","9.4294","0.0003","15.4867","0.0004","15.7576","0.0005","74.187","0.0008","87.88","0.0009","75.864","0.0008","2145.88","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H37 Fe2 N12 O S4 -","- C82 H74 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0535","0.0352","","","0.0804","0.0935","","","","","","1.087","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326164","9.4095","0.0004","15.4557","0.0008","15.7604","0.0006","74.29","0.004","88.008","0.003","75.899","0.004","2138.74","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe2 N12 O S4 -","- C41 H37 Fe2 N12 O S4 -","- C82 H74 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0648","0.0431","","","0.0984","0.1107","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326165","9.4332","0.0004","15.469","0.0008","15.8597","0.0007","74.868","0.001","88.594","0.001","76.187","0.002","2167.67","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Fe2 N12 O S4 -","- C42 H37 Fe2 N12 O S4 -","- C84 H74 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0994","0.0622","","","0.1967","0.2603","","","","","","0.897","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326166","9.4336","0.0003","15.4804","0.0007","15.8263","0.0008","74.839","0.004","88.61","0.003","76.199","0.004","2164.57","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Fe2 N12 O S4 -","- C42 H37 Fe2 N12 O S4 -","- C84 H74 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.1001","0.0469","","","0.0753","0.0827","","","","","","0.812","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326167","9.4575","0.0006","15.5206","0.0006","15.8031","0.0005","74.855","0.003","88.762","0.004","76.249","0.004","2172.9","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Fe2 N12 O S4 -","- C42 H37 Fe2 N12 O S4 -","- C84 H74 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0953","0.0622","","","0.1221","0.1396","","","","","","1.026","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326168","9.4447","0.0003","15.4813","0.0007","15.8293","0.0005","74.86","0.003","88.659","0.003","76.182","0.003","2167.63","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Fe2 N12 O S4 -","- C42 H37 Fe2 N12 O S4 -","- C84 H74 Fe4 N24 O2 S8 -","2","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.1048","0.0668","","","0.1218","0.1389","","","","","","1.062","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326169","25.112","0.0013","37.4052","0.0015","22.9822","0.0011","90","","90","","90","","21587.6","1.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C152 H192 Cl11 Eu4 N24 O88 -","- C152 H192 Cl11 Eu4 N24 O88 -","- C608 H768 Cl44 Eu16 N96 O352 -","4","0.5","","Badr El Aroussi; Laure Guénée; Prodipta Pal; Josef Hamacek","Lanthanide-Mediated Supramolecular Cages and Host-Guest Interactions","Inorganic Chemistry","2011","50","","8588","8597","10.1021/ic201156q","","","0.71073","MoKα","","0.1274","0.081","","","0.2213","0.236","","","","","","1.137","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326170","9.4752","0.0009","21.582","0.002","23.529","0.002","90","","90","","90","","4811.5","0.8","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 Pd S2 -","- C30 H20 N2 Pd S2 -","- C240 H160 N16 Pd8 S16 -","8","2","","Luciano Cuesta; Dune Prat; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia","Novel Cyclopalladated Imino-thiophenes: Synthesis and Reactivity Toward Alkynes and Carbon Monoxide","Inorganic Chemistry","2011","50","","8598","8607","10.1021/ic201158v","","","0.71073","MoKα","","0.1288","0.0665","","","0.1036","0.1235","","","","","","0.97","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326171","6.1334","0.0011","10.3097","0.0018","11.48","0.002","108.826","0.004","100.35","0.004","101.074","0.004","651.1","0.2","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Cl2 N2 Pd2 S2 -","- C30 H20 Cl2 N2 Pd2 S2 -","- C30 H20 Cl2 N2 Pd2 S2 -","1","0.5","","Luciano Cuesta; Dune Prat; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia","Novel Cyclopalladated Imino-thiophenes: Synthesis and Reactivity Toward Alkynes and Carbon Monoxide","Inorganic Chemistry","2011","50","","8598","8607","10.1021/ic201158v","","","0.71073","MoKα","","0.0573","0.0409","","","0.0861","0.0911","","","","","","1.045","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326172","16.5125","0.0013","10.2662","0.0008","22.1841","0.0017","90","","95.676","0.002","90","","3742.2","0.5","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 Pd S2 -","- C22 H16 N2 Pd S2 -","- C176 H128 N16 Pd8 S16 -","8","1","","Luciano Cuesta; Dune Prat; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia","Novel Cyclopalladated Imino-thiophenes: Synthesis and Reactivity Toward Alkynes and Carbon Monoxide","Inorganic Chemistry","2011","50","","8598","8607","10.1021/ic201158v","","","0.71073","MoKα","","0.0393","0.0315","","","0.0795","0.0832","","","","","","1.018","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326173","11.6838","0.001","6.047","0.0005","7.0471","0.0006","90","","90","","90","","497.89","0.07","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H2 O6 S Th -","- H2 O6 S Th -","- H8 O24 S4 Th4 -","4","0.5","","Karah E. Knope; Richard E. Wilson; S. Skanthakumar; L. Soderholm","Synthesis and Characterization of Thorium(IV) Sulfates","Inorganic Chemistry","2011","50","","8621","8629","10.1021/ic201175u","","","0.71073","MoKα","","0.0204","0.0192","","","0.0454","0.0458","","","","","","1.197","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326174","7.2244","0.0009","12.1506","0.0014","7.9889","0.0009","90","","98.289","0.002","90","","693.95","0.14","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H18 O17 S2 Th -","- H18 O17 S2 Th -","- H36 O34 S4 Th2 -","2","0.5","","Karah E. Knope; Richard E. Wilson; S. Skanthakumar; L. Soderholm","Synthesis and Characterization of Thorium(IV) Sulfates","Inorganic Chemistry","2011","50","","8621","8629","10.1021/ic201175u","","","0.71073","MoKα","","0.0413","0.0305","","","0.059","0.062","","","","","","1.032","","","","has coordinates","189302","2020-10-21","18:00:00",""
"4326175","18.139","0.002","11.1729","0.0014","14.3913","0.0019","90","","90","","90","","2916.6","0.6","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H18 O38 S7 Th4 -","- H18 O38 S7 Th4 -","- H72 O152 S28 Th16 -","4","0.5","","Karah E. Knope; Richard E. Wilson; S. Skanthakumar; L. Soderholm","Synthesis and Characterization of Thorium(IV) Sulfates","Inorganic Chemistry","2011","50","","8621","8629","10.1021/ic201175u","","","0.71073","MoKα","","0.0506","0.0328","","","0.0708","0.0777","","","","","","1.042","","","","has coordinates","189302","2020-10-21","18:00:00",""
"4326176","10.32","0.05","14.44","0.06","9.26","0.04","90","","101.53","0.06","90","","1352","10","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Br N3 Ni -","- C15 H11 Br N3 Ni -","- C60 H44 Br4 N12 Ni4 -","4","0.5","","James T. Ciszewski; Dmitry Y. Mikhaylov; Kirill V. Holin; Marsil K. Kadirov; Yulia H. Budnikova; Oleg Sinyashin; David A. Vicic","Redox Trends in Terpyridine Nickel Complexes","Inorganic Chemistry","2011","50","","8630","8635","10.1021/ic201184x","","","0.71075","MoKα","","0.1814","0.1244","","","0.3026","0.3252","","","","","","1.044","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326177","34.6504","0.0009","34.6504","0.0009","23.2241","0.0012","90","","90","","120","","24148.3","1.5","291","2","291","2","","","","","","","","8","R 3 m :H","R 3 -2""","160","","","","- C189 H309 B9 Cl9 Cr9 Cu9 N108 O51 -","- C189 H309 B9 Cl9 Cr9 Cu9 N108 O51 -","- C567 H927 B27 Cl27 Cr27 Cu27 N324 O153 -","3","0.166667","","Min-Xia Yao; Zheng-You Wei; Zhi-Guo Gu; Qi Zheng; Yan Xu; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of Low-Dimensional Heterometallic Complexes Based on the Versatile Building Block [(Tp)Cr(CN)3]-","Inorganic Chemistry","2011","50","","8636","8644","10.1021/ic2011875","","","0.71073","MoKα","","0.0589","0.0475","","","0.0989","0.101","","","","","","1.003","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326178","33.292","0.003","11.8118","0.0011","25.21","0.002","90","","106.011","0.001","90","","9529","1.4","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H42.75 B Co Cr Cu N10.25 O9 P3 -","- C31.5 H43.75 B Co Cr Cu N10.25 O9 P3 -","- C252 H350 B8 Co8 Cr8 Cu8 N82 O72 P24 -","8","1","","Min-Xia Yao; Zheng-You Wei; Zhi-Guo Gu; Qi Zheng; Yan Xu; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of Low-Dimensional Heterometallic Complexes Based on the Versatile Building Block [(Tp)Cr(CN)3]-","Inorganic Chemistry","2011","50","","8636","8644","10.1021/ic2011875","","","0.71073","MoKα","","0.1159","0.063","","","0.1793","0.2047","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326179","12.1232","0.0016","13.0166","0.0017","16.571","0.002","76.956","0.002","70.039","0.002","75.755","0.002","2353.3","0.5","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H48 B Co Cr Mn N9 O14 P3 -","- C29 H49 B Co Cr Mn N9 O14 P3 -","- C58 H98 B2 Co2 Cr2 Mn2 N18 O28 P6 -","2","1","","Min-Xia Yao; Zheng-You Wei; Zhi-Guo Gu; Qi Zheng; Yan Xu; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of Low-Dimensional Heterometallic Complexes Based on the Versatile Building Block [(Tp)Cr(CN)3]-","Inorganic Chemistry","2011","50","","8636","8644","10.1021/ic2011875","","","0.71073","MoKα","","0.0844","0.0534","","","0.1521","0.1674","","","","","","1.063","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326180","12.9684","0.001","12.9945","0.0011","13.6671","0.0011","65.832","0.001","70.482","0.001","67.183","0.001","1894.3","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H25 B Cl Cr Mn N13 O4 -","- C36 H26 B Cl Cr Mn N13 O4 -","- C72 H52 B2 Cl2 Cr2 Mn2 N26 O8 -","2","1","","Min-Xia Yao; Zheng-You Wei; Zhi-Guo Gu; Qi Zheng; Yan Xu; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of Low-Dimensional Heterometallic Complexes Based on the Versatile Building Block [(Tp)Cr(CN)3]-","Inorganic Chemistry","2011","50","","8636","8644","10.1021/ic2011875","","","0.71073","MoKα","","0.1127","0.0552","","","0.0683","0.0765","","","","","","0.91","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326181","29.513","0.002","9.1437","0.0007","14.7447","0.0011","90","","100.939","0.001","90","","3906.7","0.5","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 B2 Cr2 Mn N20 -","- C34 H28 B2 Cr2 Mn N20 -","- C136 H112 B8 Cr8 Mn4 N80 -","4","0.5","","Min-Xia Yao; Zheng-You Wei; Zhi-Guo Gu; Qi Zheng; Yan Xu; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of Low-Dimensional Heterometallic Complexes Based on the Versatile Building Block [(Tp)Cr(CN)3]-","Inorganic Chemistry","2011","50","","8636","8644","10.1021/ic2011875","","","0.71073","MoKα","","0.0402","0.0304","","","0.075","0.0785","","","","","","1.034","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326182","11.249","0.0007","11.9772","0.0008","18.7277","0.0012","77.172","0.003","86.647","0.003","87.738","0.003","2455.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H67 B7 Mo4 -","- C40 H67 B7 Mo4 -","- C80 H134 B14 Mo8 -","2","1","","Arunabha Thakur; Satyanarayan Sahoo; Sundargopal Ghosh","A Homometallic Tricapped Cubane Cluster: [(Cp*Mo)4B4H4(μ4-BH)3] (Cp* = η5-C5Me5)","Inorganic Chemistry","2011","50","","7940","7942","10.1021/ic201201j","","","0.71073","MoKα","","0.0859","0.0624","","","0.1791","0.2077","","","","","","1.111","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326183","7.0717","0.0002","13.6182","0.0004","21.1941","0.0007","90","","90","","90","","2041.07","0.11","173","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N,N'-ethylenebis-(1R,2S)-ephedrine","","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C88 H128 N8 O8 -","4","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0404","0.0297","","","0.0607","0.0623","","","","","","0.91","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326184","7.6385","0.0005","10.3591","0.001","14.0457","0.0014","90","","98.715","0.008","90","","1098.58","0.17","173","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","(3R,4S,5R,9S,10R)-1,1-dibromido-3,10-diphenyl-4,5,8,9-tetramethyl- (5,8-diaza-2,11-dioxa-1-stanna(II)tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)","","","- C22 H33 Br N2 O2 -","- C22 H33 Br N2 O2 -","- C44 H66 Br2 N4 O4 -","2","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0727","0.0358","","","0.044","0.0469","","","","","","0.689","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326185","7.0576","0.0003","17.9392","0.0006","10.6368","0.0004","90","","101.899","0.004","90","","1317.76","0.09","173","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","(3R,4S,5R,8S,9S,10R)-3,10-Diphenyl-4,5,8,9-tetramethyl- (5,8-diaza-2,11-dioxa-1-stanna(II)tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)","","","- C28 H36 N2 O2 Sn -","- C28 H36 N2 O2 Sn -","- C56 H72 N4 O4 Sn2 -","2","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0213","0.0197","","","0.0472","0.0475","","","","","","0.989","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326186","7.0554","0.0004","16.7756","0.0019","25.249","0.006","90","","90","","90","","2988.4","0.8","173","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Pentacarbonyl{(3R,4S,5R,8S,9S,10R)-3,10-diphenyl-4,5,8,9-tetramethyl- (5,8-diaza-2,11-dioxa-1-stanna(II)tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)} tungsten(0)","","","- C27 H30 N2 O7 Sn W -","- C27 H30 N2 O7 Sn W -","- C108 H120 N8 O28 Sn4 W4 -","4","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0537","0.0352","","","0.0508","0.0525","","","","","","0.803","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326187","7.0618","0.0004","16.7376","0.0012","25.3834","0.0017","90","","90","","90","","3000.3","0.3","173","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Pentacarbonyl{(3R,4S,5R,8S,9S,10R)-3,10-diphenyl-4,5,8,9-tetramethyl- (5,8-diaza-2,11-dioxa-1-stanna(II)tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)} chromium(0)","","","- C27 H30 Cr N2 O7 Sn -","- C27 H30 Cr N2 O7 Sn -","- C108 H120 Cr4 N8 O28 Sn4 -","4","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0578","0.032","","","0.0375","0.0393","","","","","","0.7","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326188","12.8431","0.0004","12.8431","0.0004","32.8889","0.0014","90","","90","","90","","5424.9","0.3","173","2","","","","","","","","","","5","P 42 21 2","P 4n 2n","94","μ~2~-Oxo-bis{hydroxido-[(3R,4S,5R,8R,9S,10R)-3,10-Diphenyl- 4,5,8,9-tetramethyl-(5,8-diaza-2,11-dioxa-1-stanna(IV) tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)]}","","","- C44 H62 N4 O7 Sn2 -","- C44 H62 N4 O7 Sn2 -","- C176 H248 N16 O28 Sn8 -","4","0.5","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0441","0.0311","","","0.072","0.0739","","","","","","0.828","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326189","7.1464","0.0007","15.0609","0.0015","5.438","0.0005","90","","90","","90","","585.3","0.1","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Cu O7 Sr Te2 -","- Cu O7 Sr Te2 -","- Cu4 O28 Sr4 Te8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Michael A. Hayward; P. Shiv Halasyamani","""A"" Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+)","Inorganic Chemistry","2011","50","","8663","8670","10.1021/ic2012217","","","0.71073","MoKα","","0.0273","0.0265","","","0.0654","0.0658","","","","","","1.136","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326190","7.2033","0.0005","15.0468","0.001","5.4691","0.0004","90","","90","","90","","592.78","0.07","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Cu O7 Pb Te2 -","- Cu O7 Pb Te2 -","- Cu4 O28 Pb4 Te8 -","4","0.5","","Jeongho Yeon; Sang-Hwan Kim; Michael A. Hayward; P. Shiv Halasyamani","""A"" Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+)","Inorganic Chemistry","2011","50","","8663","8670","10.1021/ic2012217","","","0.71073","MoKα","","0.0216","0.0211","","","0.0519","0.0522","","","","","","1.176","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326191","10.9545","0.0012","15.3178","0.0018","15.4704","0.0019","92.638","0.001","106.44","0.002","106.786","0.002","2360.5","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H43 F12 N13 Ni3 O2 P2 S -","- C31 H43 F12 N13 Ni3 O2 P2 S -","- C62 H86 F24 N26 Ni6 O4 P4 S2 -","2","1","","Chao Chen; Huayu Qiu; Wanzhi Chen","Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium-Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands","Inorganic Chemistry","2011","50","","8671","8678","10.1021/ic2012233","","","0.71073","MoKα","","0.1882","0.0948","","","0.2265","0.2614","","","","","","1.057","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326192","18.6917","0.0018","15.609","0.0015","22.973","0.002","90","","102.553","0.001","90","","6542.4","1.1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H64 F12 N14 Ni3 O P2 -","- C55 H64 F12 N14 Ni3 O P2 -","- C220 H256 F48 N56 Ni12 O4 P8 -","4","1","","Chao Chen; Huayu Qiu; Wanzhi Chen","Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium-Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands","Inorganic Chemistry","2011","50","","8671","8678","10.1021/ic2012233","","","0.71073","MoKα","","0.2275","0.1214","","","0.3083","0.4136","","","","","","1.073","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326193","12.9966","0.0014","12.9966","0.0014","16.4807","0.0016","90","","90","","120","","2410.8","0.4","298","2","298","2","","","","","","","","8","P -3","-P 3","147","","","","- C36 H36 F12 N18 Ni3 O2 P2 S0 -","- C36 H36.5 F11.96 N18 Ni3 O2.5 P2 -","- C72 H73 F23.92 N36 Ni6 O5 P4 -","2","0.333333","","Chao Chen; Huayu Qiu; Wanzhi Chen","Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium-Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands","Inorganic Chemistry","2011","50","","8671","8678","10.1021/ic2012233","","","0.71073","MoKα","","0.16","0.1076","","","0.2818","0.3353","","","","","","1.04","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326194","13.2851","0.0014","19.085","0.002","19.144","0.002","117.78","0.002","92.223","0.001","108.868","0.002","3958.2","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H82 F12 N18 Ni3 P2 -","- C72 H82 F12 N18 Ni3 P2 -","- C144 H164 F24 N36 Ni6 P4 -","2","1","","Chao Chen; Huayu Qiu; Wanzhi Chen","Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium-Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands","Inorganic Chemistry","2011","50","","8671","8678","10.1021/ic2012233","","","0.71073","MoKα","","0.1152","0.0638","","","0.1727","0.2238","","","","","","1.044","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326195","20.3269","0.0008","22.2835","0.0008","11.0602","0.0005","90","","107.703","0.004","90","","4772.5","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 Ag F6 N10 P Pd2 -","- C44 H54 Ag F6 N10 P Pd2 -","- C176 H216 Ag4 F24 N40 P4 Pd8 -","4","0.5","","Chao Chen; Huayu Qiu; Wanzhi Chen","Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium-Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands","Inorganic Chemistry","2011","50","","8671","8678","10.1021/ic2012233","","","1.54178","CuKα","","0.0705","0.0645","","","0.1708","0.1794","","","","","","1.032","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326196","9.7764","0.0009","12.1843","0.0016","16.3997","0.0019","74.906","0.001","86.77","0.002","81.01","0.001","1862.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 F12 N14 P2 Pt2 -","- C28 H28 F12 N14 P2 Pt2 -","- C56 H56 F24 N28 P4 Pt4 -","2","1","","Chao Chen; Huayu Qiu; Wanzhi Chen","Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium-Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands","Inorganic Chemistry","2011","50","","8671","8678","10.1021/ic2012233","","","0.71073","MoKα","","0.0868","0.0495","","","0.1158","0.1396","","","","","","1.035","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326197","9.6639","0.0012","9.6379","0.0012","18.926","0.002","90","","98.266","0.002","90","","1744.4","0.4","173","2","173","2","","","","","","","","7","P 1 2 1","P 2y","3","08123zz","","","- C20 H43 Cl Gd N4 Na2 O15 -","- C20 H43 Cl Gd N4 Na2 O15 -","- C40 H86 Cl2 Gd2 N8 Na4 O30 -","2","1","","Silvio Aime; Mauro Botta; Zoltán Garda; Benjamin E. Kucera; Gyula Tircso; Victor G. Young; Mark Woods","Properties, Solution State Behavior, and Crystal Structures of Chelates of DOTMA","Inorganic Chemistry","2011","50","","7955","7965","10.1021/ic2012827","","","0.71073","MoKα","","0.0426","0.0355","","","0.0813","0.0837","","","","","","0.992","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4326198","9.5934","0.0007","15.8093","0.0012","18.7282","0.0014","90","","90","","90","","2840.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","08081","","","- C20 H44 Cl2 N4 O11 -","- C20 H44 Cl2 N4 O11 -","- C80 H176 Cl8 N16 O44 -","4","1","","Gyula Tircso; Benjamin C. Webber; Benjamin E. Kucera; Victor G. Young; Mark Woods","Analysis of the Conformational Behavior and Stability of the SAP and TSAP Isomers of Lanthanide(III) NB-DOTA-Type Chelates","Inorganic Chemistry","2011","50","","7966","7979","10.1021/ic2012843","","","0.71073","MoKα","","0.0607","0.0441","","","0.0976","0.1085","","","","","","1.011","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326199","24.3405","0.0007","5.41599","0.0001","17.2915","0.0004","90","","111.819","0.003","90","","2116.2","0.1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- N6 O2 S -","- N6 O2 S -","- N96 O32 S16 -","16","2","","Xiaoqing Zeng; Helmut Beckers; Eduard Bernhardt; Helge Willner","Synthesis and Characterization of Sulfuryl Diazide, O2S(N3)2","Inorganic Chemistry","2011","50","","8679","8684","10.1021/ic201294b","","","0.71073","MoKα","","0.0251","0.0238","","","0.0676","0.0689","","","","","","1.046","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326200","13.1023","0.0011","14.1755","0.0012","17.0612","0.0014","90","","101.416","0.001","90","","3106.1","0.4","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N2 O4 Ti -","- C36 H30 Cl2 N2 O4 Ti -","- C144 H120 Cl8 N8 O16 Ti4 -","4","1","","Avia Tzubery; Edit Y. Tshuva","Trans Titanium(IV) Complexes of Salen Ligands Exhibit High Antitumor Activity","Inorganic Chemistry","2011","50","","7946","7948","10.1021/ic201296h","","","0.71073","MoKα","","0.0578","0.0514","","","0.1205","0.1238","","","","","","1.149","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326201","11.5217","0.0018","19.975","0.003","17.306","0.003","90","","106.103","0.003","90","","3826.6","1.1","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cl2 N2 O5 Ti -","- C44 H40 Cl2 N2 O5 Ti -","- C176 H160 Cl8 N8 O20 Ti4 -","4","1","","Avia Tzubery; Edit Y. Tshuva","Trans Titanium(IV) Complexes of Salen Ligands Exhibit High Antitumor Activity","Inorganic Chemistry","2011","50","","7946","7948","10.1021/ic201296h","","","0.71073","MoKα","","0.0877","0.068","","","0.1326","0.1401","","","","","","1.192","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326202","12.6982","0.0003","14.4819","0.0004","16.2612","0.0004","94.731","0.002","110.44","0.001","105.124","0.002","2654.73","0.12","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H70 F3 N6 O3 P3 S Si -","- C41 H70 F3 N6 O3 P3 S Si -","- C82 H140 F6 N12 O6 P6 S2 Si2 -","2","1","","Nicola Dellus; Tsuyoshi Kato; Nathalie Saffon-Merceron; Vicenç Branchadell; Antoine Baceiredo","Synthesis and Characterization of a Stable Cyclicgem-Bis(phosphaylide): a 4π-Electron Three-Membered Heterocycle","Inorganic Chemistry","2011","50","","7949","7951","10.1021/ic2013182","","","0.71073","MoKα","","0.1067","0.0753","","","0.1964","0.221","","","","","","1.101","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326203","18.6883","0.0005","12.2323","0.0003","20.8155","0.0005","90","","94.715","0.001","90","","4742.3","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H75 F N6 O0.5 P3 Si -","- C42 H75 F N6 O0.5 P3 Si -","- C168 H300 F4 N24 O2 P12 Si4 -","4","1","","Nicola Dellus; Tsuyoshi Kato; Nathalie Saffon-Merceron; Vicenç Branchadell; Antoine Baceiredo","Synthesis and Characterization of a Stable Cyclicgem-Bis(phosphaylide): a 4π-Electron Three-Membered Heterocycle","Inorganic Chemistry","2011","50","","7949","7951","10.1021/ic2013182","","","0.71073","MoKα","","0.0797","0.0487","","","0.121","0.14","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326204","9.4852","0.0004","18.9342","0.0008","31.3583","0.0013","90","","90","","90","","5631.8","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H77 Co N6 O17 -","- C54 H77 Co N6 O17 -","- C216 H308 Co4 N24 O68 -","4","1","","Susan M. Chemaly; Kenneth L. Brown; Manuel A. Fernandes; Orde Q. Munro; Craig Grimmer; Helder M. Marques","Probing the Nature of the CoIII Ion in Corrins: The Structural and Electronic Properties of Dicyano- and Aquacyanocobyrinic Acid Heptamethyl Ester and a Stable Yellow Dicyano- and Aquacyanocobyrinic Acid Heptamethyl Ester","Inorganic Chemistry","2011","50","","8700","8718","10.1021/ic200285k","","","0.71073","MoKα","","0.129","0.0608","","","0.1218","0.1474","","","","","","0.997","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326205","10.352","0.0006","22.807","0.0007","5.938","0.001","90","","90","","90","","1402","0.3","390","2","390","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu K4 Mo3 O12 -","- Cu K4 Mo3 O12 -","- Cu4 K16 Mo12 O48 -","4","0.5","","Melissa C. Menard; Rieko Ishii; Satoru Nakatsuji; Julia Y. Chan","Structure and Magnetism of the Quasi-1-d K4Cu(MoO4)3 and the Structure of K4Zn(MoO4)3","Inorganic Chemistry","2011","50","","8767","8773","10.1021/ic200476n","","","0.71073","MoKα","","0.0696","0.0397","","","0.0974","0.1092","","","","","","1.061","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326206","10.688","0.001","22.022","0.001","6.105","0.001","90","","90","","90","","1436.9","0.3","390","2","390","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K4 Mo3 O12 Zn -","- K4 Mo3 O12 Zn -","- K16 Mo12 O48 Zn4 -","4","0.5","","Melissa C. Menard; Rieko Ishii; Satoru Nakatsuji; Julia Y. Chan","Structure and Magnetism of the Quasi-1-d K4Cu(MoO4)3 and the Structure of K4Zn(MoO4)3","Inorganic Chemistry","2011","50","","8767","8773","10.1021/ic200476n","","","0.71073","MoKα","","0.0548","0.0391","","","0.1177","0.1382","","","","","","1.149","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326207","8.1557","0.0004","9.4304","0.0012","11.6154","0.0012","76.731","0.009","83.603","0.007","84.95","0.007","862.29","0.15","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H40 Fe Mo6 N4 O28 -","- C12 H40 Fe Mo6 N4 O28 -","- C12 H40 Fe Mo6 N4 O28 -","1","0.5","","Rémi Dessapt; Marie Gabard; Martine Bujoli-Doeuff; Philippe Deniard; Stéphane Jobic","Smart Heterostructures for Tailoring the Optical Properties of Photochromic Hybrid Organic-Inorganic Polyoxometalates","Inorganic Chemistry","2011","50","","8790","8796","10.1021/ic200653d","","","0.71069","MoKα","","","0.0329","","","","0.0784","","","","1.28","1.28","1.28","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4326208","31.015","0.0006","14.636","0.0003","15.403","0.0003","90","","90.505","0.001","90","","6991.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound X","","","- C23 H24 Cu2 N19 O5 W -","- C23 H24 Cu2 N19 O5 W -","- C184 H192 Cu16 N152 O40 W8 -","8","1","","Olaf Stefanczyk; Tomasz Korzeniak; Wojciech Nitek; Michał Rams; Barbara Sieklucka","Microwave-Assisted Construction of Ferromagnetic Coordination Polymers of [WV(CN)8]3- with CuII-pyrazole Synthons","Inorganic Chemistry","2011","50","","8808","8816","10.1021/ic200689a","","","0.71073","MoKα","","0.0415","0.0296","","","0.071","0.0755","","","","","","1.058","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326209","14.753","0.0002","16.529","0.0002","16.693","0.0003","61.93","0.001","87.297","0.001","87.665","0.001","3587.02","0.1","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Compound X","","","- C96 H106 Cu8 N72 O19 W4 -","- C96 H106 Cu8 N72 O19 W4 -","- C96 H106 Cu8 N72 O19 W4 -","1","0.5","","Olaf Stefanczyk; Tomasz Korzeniak; Wojciech Nitek; Michał Rams; Barbara Sieklucka","Microwave-Assisted Construction of Ferromagnetic Coordination Polymers of [WV(CN)8]3- with CuII-pyrazole Synthons","Inorganic Chemistry","2011","50","","8808","8816","10.1021/ic200689a","","x-ray","0.71073","MoKα","","0.0512","0.0377","","","0.0951","0.1016","","","","","","1.066","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326210","11.812","0.0002","14.792","0.0003","21.616","0.0004","70.83","0.001","82.246","0.001","82.488","0.001","3519.66","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Compound X","","","- C49 H55 Cu3 N38 O5.5 W2 -","- C49 H55 Cu3 N38 O5.5 W2 -","- C98 H110 Cu6 N76 O11 W4 -","2","1","","Olaf Stefanczyk; Tomasz Korzeniak; Wojciech Nitek; Michał Rams; Barbara Sieklucka","Microwave-Assisted Construction of Ferromagnetic Coordination Polymers of [WV(CN)8]3- with CuII-pyrazole Synthons","Inorganic Chemistry","2011","50","","8808","8816","10.1021/ic200689a","","","0.71073","MoKα","","0.0602","0.0352","","","0.073","0.0793","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326211","15.119","0.008","26.338","0.013","4.714","0.002","90","","90","","90","","1877.1","1.6","293","2","293","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- B6 Ca10 Ge16 O51 -","- B6 Ca10 Ge16 O51 -","- B12 Ca20 Ge32 O102 -","2","0.5","","Xiang Xu; Chun-Li Hu; Fan Kong; Jian-Han Zhang; Jiang-Gao Mao","Ca10Ge16B6O51 and Cd12Ge17B8O58: Two Types of New 3D Frameworks Based on BO4 Tetrahedra and 1D [Ge4O12]n Chains","Inorganic Chemistry","2011","50","","8861","8868","10.1021/ic2008254","","","0.71073","MoKα","","0.0377","0.0329","","","0.0698","0.0726","","","","","","1.162","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326212","14.928","0.002","14.928","0.002","4.6975","0.001","90","","90","","90","","1046.8","0.3","293","2","293","2","","","","","","","","4","P -4","P -4","81","","","","- B8 Cd12 Ge17 O58 -","- B8 Cd12 Ge17 O58 -","- B8 Cd12 Ge17 O58 -","1","0.25","","Xiang Xu; Chun-Li Hu; Fan Kong; Jian-Han Zhang; Jiang-Gao Mao","Ca10Ge16B6O51 and Cd12Ge17B8O58: Two Types of New 3D Frameworks Based on BO4 Tetrahedra and 1D [Ge4O12]n Chains","Inorganic Chemistry","2011","50","","8861","8868","10.1021/ic2008254","","","0.71073","MoKα","","0.0167","0.0145","","","0.0297","0.0301","","","","","","0.988","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326213","8.607","0.0003","20.0239","0.0008","20.93","0.0008","90","0.0008","101.445","0.0008","90","0.0008","3535.5","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu2(bssdpo)(OAc)","","","- C38 H36 Cl2 Cu2 N2 O7 -","- C38 H36 Cl2 Cu2 N2 O7 -","- C152 H144 Cl8 Cu8 N8 O28 -","4","1","","Susanne Striegler; Michael Dittel; Rami Kanso; Natasha A. Alonso; Evert C. Duin","Hydrolysis of Glycosides with Microgel Catalysts","Inorganic Chemistry","2011","50","","8869","8878","10.1021/ic200837z","","","0.71073","MoKα","","0.0702","0.044","","","0.1004","0.1081","","","","","","0.945","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326214","5.5325","0.0007","15.434","0.002","7.7007","0.001","90","","91.425","0.002","90","","657.35","0.15","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 Cu2 I N4 -","- C13 H9 Cu2 I N4 -","- C26 H18 Cu4 I2 N8 -","2","0.5","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0214","0.0201","","","0.0518","0.0526","","","","","","1.074","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326215","16.6627","0.0019","9.7028","0.0011","10.1856","0.0012","90","","125.461","0.002","90","","1341.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Br Cu2 N4 -","- C13 H9 Br Cu2 N4 -","- C52 H36 Br4 Cu8 N16 -","4","0.5","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0641","0.0574","","","0.1794","0.1822","","","","","","1.275","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326216","8.8528","0.0018","9.3074","0.0019","9.786","0.002","62.417","0.003","76.962","0.003","66.016","0.003","652.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cl Cu2 N4 -","- C13 H9 Cl Cu2 N4 -","- C26 H18 Cl2 Cu4 N8 -","2","1","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0394","0.0357","","","0.0955","0.0982","","","","","","1.093","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326217","10.1968","0.0009","8.8717","0.0008","14.6262","0.0014","90","","90.062","0.002","90","","1323.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cu2 N5 -","- C14 H9 Cu2 N5 -","- C56 H36 Cu8 N20 -","4","1","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0309","0.0279","","","0.0714","0.0728","","","","","","1.059","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326218","15.7482","0.0009","15.7482","0.0009","21.281","0.002","90","","90","","90","","5277.8","0.7","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C14 H9 Cu2 N5 -","- C14 H9 Cu2 N5 -","- C224 H144 Cu32 N80 -","16","0.5","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0234","0.0217","","","0.0569","0.0577","","","","","","1.057","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326219","5.6874","0.0003","13.2637","0.0007","20.5449","0.0011","90","","95.51","0.001","90","","1542.66","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Cu3 N6 -","- C15 H9 Cu3 N6 -","- C60 H36 Cu12 N24 -","4","1","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0293","0.0258","","","0.0643","0.066","","","","","","1.046","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326220","15.1822","0.0016","12.9042","0.0014","14.474","0.0016","90","","95.845","0.002","90","","2820.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br3 Cu5 N8 -","- C26 H18 Br3 Cu5 N8 -","- C104 H72 Br12 Cu20 N32 -","4","0.5","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0349","0.0281","","","0.0642","0.0665","","","","","","1.059","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326221","15.2169","0.0016","12.7604","0.0014","14.1543","0.0015","90","","95.614","0.002","90","","2735.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cl3 Cu5 N8 -","- C26 H18 Cl3 Cu5 N8 -","- C104 H72 Cl12 Cu20 N32 -","4","0.5","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0401","0.0331","","","0.0792","0.0819","","","","","","1.095","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326222","11.398","0.003","7.758","0.002","29.507","0.008","90","","90","","90","","2609.2","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cu2 N7 -","- C13 H9 Cu2 N7 -","- C104 H72 Cu16 N56 -","8","1","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0983","0.0937","","","0.1732","0.1788","","","","","","1.4","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326223","16.98","0.004","11.613","0.003","17.846","0.004","90","","118.23","0.03","90","","3100.5","1.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 Cl2 N18 Ni5 O14 -","- C56 H54 Cl2 N18 Ni5 O14 -","- C112 H108 Cl4 N36 Ni10 O28 -","2","0.5","","Albert Escuer; Jordi Esteban; Olivier Roubeau","Ni5, Ni8, and Ni10 Clusters with 2,6-Diacetylpyridine-dioxime as a Ligand","Inorganic Chemistry","2011","50","","8893","8901","10.1021/ic200895q","","","0.7383","synchrotron","","0.04","0.0389","","","0.1101","0.1113","","","","","","1.046","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326224","11.261","0.002","12.292","0.003","13.577","0.003","86.483","0.011","67.605","0.011","84.672","0.012","1729.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H84 N16 Ni8 O35 -","- C42 H56 N16 Ni8 O30 -","- C42 H56 N16 Ni8 O30 -","1","0.5","","Albert Escuer; Jordi Esteban; Olivier Roubeau","Ni5, Ni8, and Ni10 Clusters with 2,6-Diacetylpyridine-dioxime as a Ligand","Inorganic Chemistry","2011","50","","8893","8901","10.1021/ic200895q","","","0.71073","MoKα","","0.0946","0.0584","","","0.1458","0.16","","","","","","1.05","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326225","15.335","0.003","33.125","0.007","21.821","0.004","90","","108.18","0.03","90","","10531","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H91 N31 Ni10 O24 -","- C81 H79 N31 Ni10 O24 -","- C324 H316 N124 Ni40 O96 -","4","0.5","","Albert Escuer; Jordi Esteban; Olivier Roubeau","Ni5, Ni8, and Ni10 Clusters with 2,6-Diacetylpyridine-dioxime as a Ligand","Inorganic Chemistry","2011","50","","8893","8901","10.1021/ic200895q","","","0.71073","MoKα","","0.09","0.0562","","","0.1444","0.1576","","","","","","1.042","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326226","11.469","0.004","13.327","0.005","14.137","0.004","63.708","0.01","67.64","0.01","84.03","0.01","1786.2","1.1","113.2","","113.2","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H44 F6 N2 Ni O10 Ru S4 -","- C24 H44 F6 N2 Ni O10 Ru S4 -","- C48 H88 F12 N4 Ni2 O20 Ru2 S8 -","2","1","","Takahiro Matsumoto; Ryota Kabe; Kyoshiro Nonaka; Tatsuya Ando; Ki-Seok Yoon; Hidetaka Nakai; Seiji Ogo","Model Study of CO Inhibition of [NiFe]hydrogenase","Inorganic Chemistry","2011","50","","8902","8906","10.1021/ic200965t","","","0.7107","MoKα","","","0.0572","","","","0.2047","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326227","26.03","0.003","11.536","0.001","26.408","0.002","90","","90","","90","","7929.8","1.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C37 H60 Cl Ga N2 O4 Si -","- C37 H60 Cl Ga N2 O4 Si -","- C296 H480 Cl8 Ga8 N16 O32 Si8 -","8","2","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0509","0.0416","","","0.0872","0.0914","","","","","","1.013","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326228","11.937","0.001","12.312","0.002","16.403","0.002","100.16","0.02","92.8","0.02","118.28","0.02","2065.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H66 Ga N3 O4 Si -","- C39 H66 Ga N3 O4 Si -","- C78 H132 Ga2 N6 O8 Si2 -","2","1","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.036","0.0328","","","0.0805","0.082","","","","","","1.061","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326229","9.441","0.002","22.701","0.004","20.088","0.003","90","","90.23","0.03","90","","4305.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H69 Ga N2 O6 Si -","- C41 H69 Ga N2 O6 Si -","- C164 H276 Ga4 N8 O24 Si4 -","4","1","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0729","0.056","","","0.109","0.1161","","","","","","1.082","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326230","12.129","0.002","36.225","0.004","11.123","0.002","90","","111.39","0.02","90","","4550.5","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H71 Ga N4 O5 Si Ti -","- C41 H71 Ga N4 O5 Si Ti -","- C164 H284 Ga4 N16 O20 Si4 Ti4 -","4","1","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0482","0.0383","","","0.0875","0.0919","","","","","","1.03","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326231","11.136","0.0008","14.1617","0.001","17.3505","0.0013","82.718","0.001","73.453","0.001","68.203","0.001","2434.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H79 Ga N4 O5 Si Ti -","- C45 H79 Ga N4 O5 Si Ti -","- C90 H158 Ga2 N8 O10 Si2 Ti2 -","2","1","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0493","0.0373","","","0.0935","0.1049","","","","","","1.086","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326232","11.112","0.002","14.274","0.002","17.383","0.003","83.13","0.02","73.95","0.03","67.71","0.02","2451.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H79 Ga N4 O5 Si Zr -","- C45 H79 Ga N4 O5 Si Zr -","- C90 H158 Ga2 N8 O10 Si2 Zr2 -","2","1","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0369","0.031","","","0.076","0.079","","","","","","1.041","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326233","11.121","0.002","14.263","0.002","17.399","0.003","82.95","0.02","73.91","0.03","67.74","0.02","2453.6","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H79 Ga Hf N4 O5 Si -","- C45 H79 Ga Hf N4 O5 Si -","- C90 H158 Ga2 Hf2 N8 O10 Si2 -","2","1","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0382","0.0332","","","0.0755","0.0778","","","","","","1.023","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326234","12.32","0.002","33.568","0.003","20.331","0.002","90","","94.22","0.02","90","","8385.2","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H126 Ga2 N4 O10 Si2 Ti -","- C81 H126 Ga2 N4 O10 Si2 Ti -","- C324 H504 Ga8 N16 O40 Si8 Ti4 -","4","1","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0727","0.0479","","","0.1044","0.1158","","","","","","1.027","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326235","12.2083","0.0005","34.1395","0.0014","20.1612","0.0008","90","","93.125","0.001","90","","8390.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H128 Ga2 N4 O11 Si2 Zr -","- C78 H128 Ga2 N4 O11 Si2 Zr -","- C312 H512 Ga8 N16 O44 Si8 Zr4 -","4","1","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0373","0.0329","","","0.075","0.0772","","","","","","1.105","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326236","17.759","0.002","17.415","0.002","28.487","0.003","90","","91.48","0.02","90","","8807.3","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H139 Ga2 N5 O10 Si2 Zr -","- C82 H139 Ga2 N5 O10 Si2 Zr -","- C328 H556 Ga8 N20 O40 Si8 Zr4 -","4","0.5","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0653","0.0431","","","0.1001","0.1109","","","","","","1.014","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326237","12.3239","0.0004","34.2661","0.0011","20.203","0.0006","90","","94.093","0.001","90","","8509.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H126 Ga2 Hf N4 O10 Si2 -","- C81 H126 Ga2 Hf N4 O10 Si2 -","- C324 H504 Ga8 Hf4 N16 O40 Si8 -","4","1","","Diego Solis-Ibarra; Miriam Velásquez-Hernández; Raúl Huerta-Lavorie; Vojtech Jancik","Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives","Inorganic Chemistry","2011","50","","8907","8917","10.1021/ic200976d","","","0.71073","MoKα","","0.0464","0.0388","","","0.0869","0.0898","","","","","","1.085","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326238","10.8919","0.0012","12.1067","0.0014","12.1387","0.0014","90","","91.898","0.002","90","","1599.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Al Br3 Cl6 N3 P3 -","- Al Br3 Cl6 N3 P3 -","- Al4 Br12 Cl24 N12 P12 -","4","1","","Zin-Min Tun; Amy J. Heston; Matthew J. Panzner; Doug A. Medvetz; Brian D. Wright; Deepa Savant; Venkat R. Dudipala; Debasish Banerjee; Peter L. Rinaldi; Wiley J. Youngs; Claire A. Tessier","Group 13 Lewis Acid Adducts of [PCl2N]3","Inorganic Chemistry","2011","50","","8937","8945","10.1021/ic201075z","","","0.71073","MoKα","","0.0248","0.0202","","","0.045","0.0465","","","","","","1.043","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326239","11.992","0.002","11.713","0.002","10.773","0.0019","90","","90","","90","","1513.2","0.4","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Al Cl9 N3 P3 -","- Al Cl9 N3 P3 -","- Al4 Cl36 N12 P12 -","4","1","","Zin-Min Tun; Amy J. Heston; Matthew J. Panzner; Doug A. Medvetz; Brian D. Wright; Deepa Savant; Venkat R. Dudipala; Debasish Banerjee; Peter L. Rinaldi; Wiley J. Youngs; Claire A. Tessier","Group 13 Lewis Acid Adducts of [PCl2N]3","Inorganic Chemistry","2011","50","","8937","8945","10.1021/ic201075z","","","0.71073","MoKα","","0.0208","0.0203","","","0.049","0.0492","","","","","","1.103","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326240","11.776","0.003","10.83","0.003","23.865","0.006","90","","92.011","0.004","90","","3041.7","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl9 Ga N3 P3 -","- Cl9 Ga N3 P3 -","- Cl72 Ga8 N24 P24 -","8","2","","Zin-Min Tun; Amy J. Heston; Matthew J. Panzner; Doug A. Medvetz; Brian D. Wright; Deepa Savant; Venkat R. Dudipala; Debasish Banerjee; Peter L. Rinaldi; Wiley J. Youngs; Claire A. Tessier","Group 13 Lewis Acid Adducts of [PCl2N]3","Inorganic Chemistry","2011","50","","8937","8945","10.1021/ic201075z","","","0.71073","MoKα","","0.0617","0.0382","","","0.0579","0.0601","","","","","","1.164","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326241","19.515","0.004","11.816","0.002","20.654","0.004","90","","101.244","0.01","90","","4671.2","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Dy2 Mn2 N10 O30 -","- C24 H38 Dy2 Mn2 N10 O30 -","- C96 H152 Dy8 Mn8 N40 O120 -","4","0.5","","Constantina Papatriantafyllopoulou; Khalil A. Abboud; George Christou","Carboxylate-Free MnIII2LnIII2 (Ln = Lanthanide) and MnIII2YIII2 Complexes from the Use of (2-Hydroxymethyl)pyridine: Analysis of Spin Frustration Effects","Inorganic Chemistry","2011","50","","8959","8966","10.1021/ic2011106","","","0.71073","MoKα","","0.0426","0.0414","","","0.0952","0.0956","","","","","","1.446","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326242","23.0307","0.0012","24.2955","0.0013","24.9328","0.0013","68.226","0.001","63.328","0.001","81.222","0.001","11575.4","1.1","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C157 H148 Dy12 N48 O53 -","- C157 H144 Dy12 N48 O53 -","- C314 H288 Dy24 N96 O106 -","2","1","","Haiquan Tian; Yun-Nan Guo; Lang Zhao; Jinkui Tang; Zhiliang Liu","Hexanuclear Dysprosium(III) Compound Incorporating Vertex- and Edge-Sharing Dy3 Triangles Exhibiting Single-Molecule-Magnet Behavior","Inorganic Chemistry","2011","50","","8688","8690","10.1021/ic201121p","","","0.71073","MoKα","","0.1421","0.0691","","","0.2009","0.2515","","","","","","1.034","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326243","20.7511","0.0002","20.7511","0.0002","43.0804","0.0015","90","","90","","90","","18550.8","0.7","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C104 H122 As8 Cu8 Mo24 N48 O93 -","- C104 H120 As8 Cu8 Mo24 N48 O93 -","- C416 H480 As32 Cu32 Mo96 N192 O372 -","4","0.25","","Bo Liu; Zhen-Tao Yu; Jin Yang; Wu Hua; Ying-Ying Liu; Jian-Fang Ma","First Three-Dimensional Inorganic-Organic Hybrid Material Constructed From an ""Inverted Keggin"" Polyoxometalate and a Copper(I)-Organic Complex","Inorganic Chemistry","2011","50","","8967","8972","10.1021/ic201135g","","","0.71073","MoKα","","0.0904","0.0522","","","0.1109","0.1244","","","","","","1.074","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326244","18.3083","0.0001","18.3083","0.0001","13.5804","0.0002","90","","90","","90","","4552.07","0.08","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C48 H64 As4 Cu4 Mo12 N24 O52 -","- C48 H52 As4 Cu4 Mo12 N24 O52 -","- C96 H104 As8 Cu8 Mo24 N48 O104 -","2","0.25","","Bo Liu; Zhen-Tao Yu; Jin Yang; Wu Hua; Ying-Ying Liu; Jian-Fang Ma","First Three-Dimensional Inorganic-Organic Hybrid Material Constructed From an ""Inverted Keggin"" Polyoxometalate and a Copper(I)-Organic Complex","Inorganic Chemistry","2011","50","","8967","8972","10.1021/ic201135g","","","0.71073","MoKα","","0.0195","0.0172","","","0.0358","0.036","","","","","","0.984","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326245","11.3916","0.0008","12.323","0.0007","15.8306","0.001","100.284","0.005","108.52","0.006","106.187","0.006","1934.7","0.3","180","2","180","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C56 H86 Mn4 N4 Na2 O32 S4 -","- C56 H86 Mn4 N4 Na2 O32 S4 -","- C56 H86 Mn4 N4 Na2 O32 S4 -","1","0.5","","Claudia Palopoli; Natalia Bruzzo; Christelle Hureau; Sonia Ladeira; Daniel Murgida; Sandra Signorella","Synthesis, Characterization, and Catalase Activity of a Water-Soluble diMnIII Complex of a Sulphonato-Substituted Schiff Base Ligand: An Efficient Catalyst for H2O2 Disproportionation","Inorganic Chemistry","2011","50","","8973","8983","10.1021/ic2011452","","x-ray","0.71073","MoKα","","0.1003","0.0463","","","0.0885","0.0959","","","","","","0.834","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4326246","11.114","0.003","11.991","0.003","11.422","0.003","90","","119.11","","90","","1329.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N4 O12 Zn -","- C24 H32 N4 O12 Zn -","- C48 H64 N8 O24 Zn2 -","2","0.5","","Curtis Y. Wang; Zachary M. Wilseck; Robert L. LaDuca","1D + 1D →1D Polyrotaxane, 2D + 2D →3D Interpenetrated, and 3D Self-Penetrated Divalent Metal Terephthalate Bis(pyridylformyl)piperazine Coordination Polymers","Inorganic Chemistry","2011","50","","8997","9003","10.1021/ic201196g","","","0.71073","MoKα","","0.0347","0.0299","","","0.0902","0.0942","","","","","","1.08","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326247","11.12","0.003","12.006","0.003","11.406","0.003","90","","119.161","0.003","90","","1329.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N4 O12 -","- C24 H28 Co N4 O12 -","- C48 H56 Co2 N8 O24 -","2","0.5","","Curtis Y. Wang; Zachary M. Wilseck; Robert L. LaDuca","1D + 1D →1D Polyrotaxane, 2D + 2D →3D Interpenetrated, and 3D Self-Penetrated Divalent Metal Terephthalate Bis(pyridylformyl)piperazine Coordination Polymers","Inorganic Chemistry","2011","50","","8997","9003","10.1021/ic201196g","","","0.71073","MoKα","","0.076","0.0597","","","0.1431","0.1516","","","","","","1.114","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326248","9.5104","0.0013","12.7291","0.0017","19.131","0.003","100.348","0.002","97.09","0.001","107.716","0.001","2130.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H84 Cd4 N12 O32 -","- C80 H84 Cd4 N12 O32 -","- C80 H84 Cd4 N12 O32 -","1","0.5","","Curtis Y. Wang; Zachary M. Wilseck; Robert L. LaDuca","1D + 1D →1D Polyrotaxane, 2D + 2D →3D Interpenetrated, and 3D Self-Penetrated Divalent Metal Terephthalate Bis(pyridylformyl)piperazine Coordination Polymers","Inorganic Chemistry","2011","50","","8997","9003","10.1021/ic201196g","","","0.71073","MoKα","","0.0488","0.0323","","","0.0689","0.0714","","","","","","0.853","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326249","10.4159","0.0008","18.6675","0.0015","10.0697","0.0008","90","","98.734","0.001","90","","1935.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cl2 N8 O8 Zn2 -","- C40 H36 Cl2 N8 O8 Zn2 -","- C80 H72 Cl4 N16 O16 Zn4 -","2","0.5","","Curtis Y. Wang; Zachary M. Wilseck; Robert L. LaDuca","1D + 1D →1D Polyrotaxane, 2D + 2D →3D Interpenetrated, and 3D Self-Penetrated Divalent Metal Terephthalate Bis(pyridylformyl)piperazine Coordination Polymers","Inorganic Chemistry","2011","50","","8997","9003","10.1021/ic201196g","","","0.71073","MoKα","","0.0637","0.0401","","","0.0787","0.0882","","","","","","1.032","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326250","8.8895","0.0003","8.8895","0.0003","8.8895","0.0003","90","","90","","90","","702.48","0.04","200","2","200","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Mo0.5 O7.25 V1.5 Zr -","- Mo0.5 O7.26 V1.5 Zr -","- Mo2 O29.04 V6 Zr4 -","4","0.166667","","Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row","Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7","Inorganic Chemistry","2011","50","","8774","8781","10.1021/ic201224g","","","0.71073","MoKα","","0.0449","0.026","","","0.0461","0.0483","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326251","8.8969","0.0004","8.8969","0.0004","8.8969","0.0004","90","","90","","90","","704.23","0.05","298","2","298","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Mo0.5 O7.25 V1.5 Zr -","- Mo0.5 O7.26 V1.5 Zr -","- Mo2 O29.04 V6 Zr4 -","4","0.166667","","Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row","Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7","Inorganic Chemistry","2011","50","","8774","8781","10.1021/ic201224g","","","0.71073","MoKα","","0.0362","0.0213","","","0.0436","0.0457","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326252","8.9004","0.0005","8.9004","0.0005","8.9004","0.0005","90","","90","","90","","705.06","0.07","400","2","400","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Mo0.5 O7.25 V1.5 Zr -","- Mo0.5 O7.26 V1.5 Zr -","- Mo2 O29.04 V6 Zr4 -","4","0.166667","","Prangya Parimita Sahoo; S. Sumithra; Giridhar Madras; T. N. Guru Row","Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7","Inorganic Chemistry","2011","50","","8774","8781","10.1021/ic201224g","","","0.71073","MoKα","","0.0449","0.025","","","0.0532","0.0553","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326253","21.7247","0.0006","11.628","0.0003","20.829","0.0005","90","","113.015","0.0008","90","","4842.9","0.2","98","","98","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 F18 N10 O2 Os2 P3 -","- C40 H42 F18 N10 O2 Os2 P3 -","- C160 H168 F72 N40 O8 Os8 P12 -","4","0.5","","Hideki Sugimoto; Kazuhiro Kitayama; Kenji Ashikari; Chikako Matsunami; Naomi Ueda; Keisuke Umakoshi; Yuko Hosokoshi; Yoichi Sasaki; Shinobu Itoh","Synthesis and Properties of Oxo-carboxylato- and Dioxo-Bridged Diosmium Complexes of Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2011","50","","9014","9023","10.1021/ic201230k","","","0.71075","MoKα","","","0.0179","","","","0.0454","","","","","","1.045","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326254","14.4134","0.0015","18.326","0.002","18.2725","0.0019","90","","90.5371","0.0017","90","","4826.3","0.9","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 F18 N8 O3 Os2 P3 -","- C40 H43 F18 N8 O3 Os2 P3 -","- C160 H172 F72 N32 O12 Os8 P12 -","4","1","","Hideki Sugimoto; Kazuhiro Kitayama; Kenji Ashikari; Chikako Matsunami; Naomi Ueda; Keisuke Umakoshi; Yuko Hosokoshi; Yoichi Sasaki; Shinobu Itoh","Synthesis and Properties of Oxo-carboxylato- and Dioxo-Bridged Diosmium Complexes of Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2011","50","","9014","9023","10.1021/ic201230k","","","0.71075","MoKα","","","0.0342","","","","0.0545","","","","","","0.904","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326255","12.0808","0.0012","19.319","0.0018","23.521","0.002","90","","100.427","0.001","90","","5398.9","0.9","113.1","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 F18 N10 O3 Os2 P3 -","- C47 H47 F18 N10 O3 Os2 P3 -","- C188 H188 F72 N40 O12 Os8 P12 -","4","1","","Hideki Sugimoto; Kazuhiro Kitayama; Kenji Ashikari; Chikako Matsunami; Naomi Ueda; Keisuke Umakoshi; Yuko Hosokoshi; Yoichi Sasaki; Shinobu Itoh","Synthesis and Properties of Oxo-carboxylato- and Dioxo-Bridged Diosmium Complexes of Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2011","50","","9014","9023","10.1021/ic201230k","","","0.71075","MoKα","","","0.0365","","","","0.1568","","","","","","0.656","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326256","19.587","0.007","12.304","0.005","23.333","0.008","90","","91.838","0.004","90","","5620","4","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 F24 N8 O4 Os2 P4 -","- C43 H48 F24 N8 O4 Os2 P4 -","- C172 H192 F96 N32 O16 Os8 P16 -","4","1","","Hideki Sugimoto; Kazuhiro Kitayama; Kenji Ashikari; Chikako Matsunami; Naomi Ueda; Keisuke Umakoshi; Yuko Hosokoshi; Yoichi Sasaki; Shinobu Itoh","Synthesis and Properties of Oxo-carboxylato- and Dioxo-Bridged Diosmium Complexes of Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2011","50","","9014","9023","10.1021/ic201230k","","","0.71075","MoKα","","","0.0648","","","","0.1611","","","","","","0.787","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326257","14.1228","0.0008","13.8457","0.0007","4.0654","0.0002","90","","90","","90","","794.95","0.07","123","1","123","1","","","","","","","see text","4","P n m a","-P 2ac 2n","62","","","","- B3 Br3 H3 N3 -","- B3 Br3 H3 N3 -","- B12 Br12 H12 N12 -","4","0.5","","Alexey Y. Timoshkin; Igor V. Kazakov; Anna S. Lisovenko; Michael Bodensteiner; Manfred Scheer","Fast H/D Exchange of B,B',B""-Tribromoborazine in C6D6 in the Presence of Aluminum Tribromide: First Evidence for an Electrophilic Substitution Reaction of Borazines in Solution","Inorganic Chemistry","2011","50","","9039","9044","10.1021/ic201240h","","x-ray","0.71073","MoKα","","0.0523","0.0323","","","0.0655","0.0697","","","","","","0.991","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326258","8.059","0.002","8.18","0.002","14.813","0.004","98.87","0.003","99.255","0.003","90.596","0.003","951.7","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H38 La2 O39 Sb2 -","- C16 H8 La2 O39 Sb2 -","- C16 H8 La2 O39 Sb2 -","1","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.042","0.0387","","","0.0938","0.0964","","","","","","1.015","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326259","10.3132","0.0003","11.3906","0.0004","17.1833","0.0006","90","","90","","90","","2018.58","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 La N O21 Sb2 -","- C8 H4 La N O21 Sb2 -","- C32 H16 La4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0301","0.0259","","","0.0518","0.053","","","","","","0.97","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326260","10.3057","0.0003","11.3715","0.0004","17.1293","0.0006","90","","90","","90","","2007.4","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Ce N O21 Sb2 -","- C8 H4 Ce N O21 Sb2 -","- C32 H16 Ce4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.017","0.0169","","","0.0472","0.0473","","","","","","1.137","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326261","10.3041","0.0005","11.3683","0.0005","17.0918","0.0008","90","","90","","90","","2002.14","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Pr Sb2 -","- C8 H4 N O21 Pr Sb2 -","- C32 H16 N4 O84 Pr4 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0204","0.0189","","","0.0495","0.0501","","","","","","1.076","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326262","10.2946","0.0006","11.3515","0.0007","17.0396","0.001","90","","90","","90","","1991.2","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N Nd O21 Sb2 -","- C8 H4 N Nd O21 Sb2 -","- C32 H16 N4 Nd4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0285","0.0261","","","0.0578","0.0586","","","","","","1.002","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326263","10.2895","0.0003","11.3299","0.0004","16.9699","0.0006","90","","90","","90","","1978.33","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Sm -","- C8 H4 N O21 Sb2 Sm -","- C32 H16 N4 O84 Sb8 Sm4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0212","0.0205","","","0.054","0.0543","","","","","","1.052","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326264","10.2745","0.0003","11.3155","0.0004","16.9122","0.0006","90","","90","","90","","1966.23","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Eu N O21 Sb2 -","- C8 H4 Eu N O21 Sb2 -","- C32 H16 Eu4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0265","0.0263","","","0.0685","0.0687","","","","","","1.07","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326265","10.2741","0.0004","11.3121","0.0004","16.8856","0.0006","90","","90","","90","","1962.47","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Gd N O21 Sb2 -","- C8 H4 Gd N O21 Sb2 -","- C32 H16 Gd4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0194","0.0183","","","0.0461","0.0464","","","","","","0.969","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326266","10.2675","0.0003","11.2978","0.0004","16.8401","0.0006","90","","90","","90","","1953.45","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Tb -","- C8 H4 N O21 Sb2 Tb -","- C32 H16 N4 O84 Sb8 Tb4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0211","0.0211","","","0.0563","0.0563","","","","","","1.105","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326267","10.2594","0.0004","11.2855","0.0004","16.7969","0.0007","90","","90","","90","","1944.79","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Dy N O21 Sb2 -","- C8 H4 Dy N O21 Sb2 -","- C32 H16 Dy4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0218","0.0215","","","0.0558","0.0559","","","","","","1.088","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326268","10.2606","0.0003","11.2852","0.0004","16.7766","0.0005","90","","90","","90","","1942.61","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Ho N O21 Sb2 -","- C8 H4 Ho N O21 Sb2 -","- C32 H16 Ho4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0202","0.02","","","0.0524","0.0526","","","","","","1.081","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326269","10.2617","0.001","11.2688","0.0011","16.7347","0.0016","90","","90","","90","","1935.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Er N O21 Sb2 -","- C8 H4 Er N O21 Sb2 -","- C32 H16 Er4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0297","0.0295","","","0.0785","0.0787","","","","","","1.119","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326270","10.259","0.0005","11.2557","0.0006","16.692","0.0009","90","","90","","90","","1927.46","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Tm -","- C8 H4 N O21 Sb2 Tm -","- C32 H16 N4 O84 Sb8 Tm4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0191","0.0185","","","0.0496","0.0498","","","","","","1.114","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326271","10.2511","0.0003","11.2635","0.0004","16.6615","0.0006","90","","90","","90","","1923.79","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Yb -","- C8 H4 N O21 Sb2 Yb -","- C32 H16 N4 O84 Sb8 Yb4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0295","0.0265","","","0.0555","0.0562","","","","","","0.967","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326272","10.26","0.003","11.279","0.003","16.619","0.004","90","","90","","90","","1923.2","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Lu N O21 Sb2 -","- C8 H4 Lu N O21 Sb2 -","- C32 H16 Lu4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0535","0.036","","","0.0573","0.0633","","","","","","0.924","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326273","10.2648","0.0007","11.2869","0.0008","16.7783","0.0012","90","","90","","90","","1943.9","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Y -","- C8 H4 N O21 Sb2 Y -","- C32 H16 N4 O84 Sb8 Y4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0308","0.0252","","","0.0519","0.053","","","","","","0.935","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326274","8.4771","0.0002","26.3184","0.0006","12.1893","0.0003","90","","109.68","","90","","2560.63","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H42 La2 O51 Sb6 -","- C24 H12 La2 O51 Sb6 -","- C48 H24 La4 O102 Sb12 -","2","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0189","0.0187","","","0.0496","0.0497","","","","","","1.087","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326275","8.475","0.003","26.271","0.008","12.204","0.004","90","","110.32","","90","","2548.1","1.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H42 Ce2 O51 Sb6 -","- C24 H12 Ce2 O51 Sb6 -","- C48 H24 Ce4 O102 Sb12 -","2","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0286","0.0269","","","0.0731","0.0747","","","","","","1.034","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326276","8.469","0.002","26.3","0.007","12.198","0.003","90","","110.31","","90","","2548","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H42 O51 Pr2 Sb6 -","- C24 H12 O51 Pr2 Sb6 -","- C48 H24 O102 Pr4 Sb12 -","2","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0303","0.029","","","0.0745","0.0752","","","","","","1.003","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326277","22.7141","0.001","8.5147","0.0004","14.0115","0.0006","90","","105.659","0.001","90","","2609.3","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H22 La O26 Sb3 -","- C12 H6 La O26 Sb3 -","- C48 H24 La4 O104 Sb12 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0337","0.0325","","","0.0805","0.0815","","","","","","1.01","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326278","13.8932","0.0017","7.3216","0.0009","18.572","0.003","90","","98.415","0.003","90","","1868.8","0.4","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H30 F12 O2 P2 -","- C42 H30 F12 O2 P2 -","- C84 H60 F24 O4 P4 -","2","0.5","","Hideaki Miyake; Naokazu Kano; Takayuki Kawashima","Isolation of a Metastable Geometrical Isomer of a Hexacoordinated Dihydrophosphate: Elucidation of Its Enhanced Reactivity in Umpolung of a Hydrogen Atom of Water","Inorganic Chemistry","2011","50","","9083","9089","10.1021/ic2012765","","","0.7107","MoKα","","0.047","0.0377","","","0.0981","0.1047","","","","","","1.064","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326279","18.436","0.004","16.567","0.003","20.034","0.005","90","","114.416","0.0007","90","","5572","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 F12 N O2 P -","- C26 H30 F12 N O2 P -","- C208 H240 F96 N8 O16 P8 -","8","2","","Hideaki Miyake; Naokazu Kano; Takayuki Kawashima","Isolation of a Metastable Geometrical Isomer of a Hexacoordinated Dihydrophosphate: Elucidation of Its Enhanced Reactivity in Umpolung of a Hydrogen Atom of Water","Inorganic Chemistry","2011","50","","9083","9089","10.1021/ic2012765","","","0.7107","MoKα","","0.0412","0.0354","","","0.0909","0.0956","","","","","","1.044","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326280","15.716","0.007","9.145","0.004","19.615","0.009","90","","103.305","0.007","90","","2743","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 Pt Si -","- C31 H26 N2 Pt Si -","- C124 H104 N8 Pt4 Si4 -","4","1","","Jun Ni; Xu Zhang; Nan Qiu; Yu-Hui Wu; Li-Yi Zhang; Jing Zhang; Zhong-Ning Chen","Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2'-bipyridine","Inorganic Chemistry","2011","50","","9090","9096","10.1021/ic2012777","","","0.71073","MoKα","","0.0701","0.0498","","","0.1133","0.1255","","","","","","1.09","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326281","7.168","0.003","22.491","0.008","19.119","0.007","90","","95.463","0.006","90","","3068","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl3 N2 Pt Si -","- C32 H27 Cl3 N2 Pt Si -","- C128 H108 Cl12 N8 Pt4 Si4 -","4","1","","Jun Ni; Xu Zhang; Nan Qiu; Yu-Hui Wu; Li-Yi Zhang; Jing Zhang; Zhong-Ning Chen","Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2'-bipyridine","Inorganic Chemistry","2011","50","","9090","9096","10.1021/ic2012777","","","0.71073","MoKα","","0.0968","0.0764","","","0.1742","0.1858","","","","","","0.993","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326282","7.226","0.002","13.025","0.004","16.526","0.006","79.29","0.01","84.58","0.01","74.12","0.01","1468.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl N2 Pt Si -","- C32 H28 Cl N2 Pt Si -","- C64 H56 Cl2 N4 Pt2 Si2 -","2","1","","Jun Ni; Xu Zhang; Nan Qiu; Yu-Hui Wu; Li-Yi Zhang; Jing Zhang; Zhong-Ning Chen","Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2'-bipyridine","Inorganic Chemistry","2011","50","","9090","9096","10.1021/ic2012777","","","0.71073","MoKα","","0.0965","0.0618","","","0.1587","0.2463","","","","","","1.05","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326283","20.48","0.008","11.27","0.004","16.377","0.006","90","","93.973","0.006","90","","3771","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cl2 N2 Pt Si -","- C40 H44 Cl2 N2 Pt Si -","- C160 H176 Cl8 N8 Pt4 Si4 -","4","1","","Jun Ni; Xu Zhang; Nan Qiu; Yu-Hui Wu; Li-Yi Zhang; Jing Zhang; Zhong-Ning Chen","Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2'-bipyridine","Inorganic Chemistry","2011","50","","9090","9096","10.1021/ic2012777","","","0.71073","MoKα","","0.0508","0.0453","","","0.1178","0.1238","","","","","","1.066","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326284","6.6447","0.001","44.942","0.007","6.9234","0.001","90","","109.998","0.003","90","","1942.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Ag3 N O7 -","- C20 H14 Ag3 N O7 -","- C80 H56 Ag12 N4 O28 -","4","1","","Ying Zhao; Peng Zhang; Bao Li; Xianggao Meng; Tianle Zhang","Two- and Three-Dimensional Silver(I)-Organic Networks Generated from Mono- and Dicarboxylphenylethynes","Inorganic Chemistry","2011","50","","9097","9105","10.1021/ic2012809","","","0.71073","MoKα","","0.0906","0.0598","","","0.1035","0.113","","","","","","1.051","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326285","20.917","0.004","9.081","0.0015","17.963","0.003","90","","92.633","0.003","90","","3408.4","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Ag10 N6 O24 -","- C18 H12 Ag10 N6 O24 -","- C72 H48 Ag40 N24 O96 -","4","1","","Ying Zhao; Peng Zhang; Bao Li; Xianggao Meng; Tianle Zhang","Two- and Three-Dimensional Silver(I)-Organic Networks Generated from Mono- and Dicarboxylphenylethynes","Inorganic Chemistry","2011","50","","9097","9105","10.1021/ic2012809","","","0.71073","MoKα","","0.0883","0.0641","","","0.1412","0.1522","","","","","","1.108","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326286","16.9809","0.0013","10.0515","0.0008","15.0429","0.0012","90","","109.966","0.001","90","","2413.3","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H3 Ag4 N O7 -","- C10 H3 Ag4 N O7 -","- C80 H24 Ag32 N8 O56 -","8","1","","Ying Zhao; Peng Zhang; Bao Li; Xianggao Meng; Tianle Zhang","Two- and Three-Dimensional Silver(I)-Organic Networks Generated from Mono- and Dicarboxylphenylethynes","Inorganic Chemistry","2011","50","","9097","9105","10.1021/ic2012809","","","0.71073","MoKα","","0.0591","0.0556","","","0.1444","0.1479","","","","","","1.103","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326287","10.333","0.002","12.555","0.003","15.849","0.003","83.64","0.03","77.53","0.03","87.19","0.03","1994.6","0.8","127","2","127","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H46 Cl6 Fe N4 O Sb0.5 -","- C37 H46 Cl6 Fe N4 O Sb0.5 -","- C74 H92 Cl12 Fe2 N8 O2 Sb -","2","1","","Ming Li; Teresa J. Neal; Graeme R. A. Wyllie; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Metalloporphyrin Mixed-Valence π-Cation Radicals: [Fe(oxoOEC./2)(Cl)]2SbCl6, Structure, Magnetic Properties, and Near-IR Spectra","Inorganic Chemistry","2011","50","","9114","9121","10.1021/ic201292t","","","0.71073","MoKα","","0.1633","0.0983","","","0.2397","0.2935","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326288","13.9216","0.0011","15.4812","0.0014","15.545","0.0013","90","0.005","90","0.005","90","0.005","3350.3","0.5","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 Cr In Mn N4 O14 -","- C26 H22 Cl2 Cr In Mn N4 O14 -","- C104 H88 Cl8 Cr4 In4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh","Multifunctional Magnetic Materials Obtained by Insertion of Spin-Crossover FeIII Complexes into Chiral 3D Bimetallic Oxalate-Based Ferromagnets","Inorganic Chemistry","2011","50","","9122","9130","10.1021/ic201293f","","","0.71073","MoKα","","0.1437","0.073","","","0.0997","0.1224","","","","","","1.006","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326289","13.6797","0.0011","15.2785","0.0009","16.0478","0.0013","90","","90","","90","","3354.1","0.4","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br2 Cr Fe Mn N4 O14 -","- C26 H22 Br2 Cr Fe Mn N4 O14 -","- C104 H88 Br8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh","Multifunctional Magnetic Materials Obtained by Insertion of Spin-Crossover FeIII Complexes into Chiral 3D Bimetallic Oxalate-Based Ferromagnets","Inorganic Chemistry","2011","50","","9122","9130","10.1021/ic201293f","","","0.71073","MoKα","","0.0942","0.056","","","0.0941","0.1076","","","","","","1.032","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326290","13.3082","0.0003","15.6219","0.0004","16.4727","0.0005","90","","90","","90","","3424.66","0.16","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26.5 H23.5 Cl2 Cr Fe Mn N4.5 O15 -","- C26.5 H23.5 Cl2 Cr Fe Mn N4.5 O15 -","- C106 H94 Cl8 Cr4 Fe4 Mn4 N18 O60 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh","Multifunctional Magnetic Materials Obtained by Insertion of Spin-Crossover FeIII Complexes into Chiral 3D Bimetallic Oxalate-Based Ferromagnets","Inorganic Chemistry","2011","50","","9122","9130","10.1021/ic201293f","","","0.71073","MoKα","","0.0992","0.0494","","","0.1038","0.1107","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326291","10.2473","0.0001","11.4242","0.0002","12.9246","0.0002","96.5163","0.0008","112.77","0.0009","100.383","0.001","1343.98","0.04","200","","200","","","","","","","","from U of Wollongong","3","P -1","-P 1","2","","","","- C25 H54 N6 -","- C25 H54 N6 -","- C50 H108 N12 -","2","1","","Chang-Jin Qin; Lloyd James; Jy D. Chartres; Leighton J. Alcock; Kimberley J. Davis; Anthony C. Willis; Alan M. Sargeson; Paul V. Bernhardt; Stephen F. Ralph","An Unusually Flexible Expanded Hexaamine Cage and Its CuII Complexes: Variable Coordination Modes and Incomplete Encapsulation","Inorganic Chemistry","2011","50","","9131","9140","10.1021/ic201326d","","","0.71073","MoKα","","0.0506","0.042","","0.1138","0.1072","0.1138","","","","","","0.9937","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326292","10.848","0.0008","10.848","0.0008","28.72","0.003","90","","90","","90","","3379.7","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 42/n :2","-P 4bc","86","","","","- C25 H58 Cu N8 O8 -","- C25 H58 Cu N8 O8 -","- C100 H232 Cu4 N32 O32 -","4","0.5","","Chang-Jin Qin; Lloyd James; Jy D. Chartres; Leighton J. Alcock; Kimberley J. Davis; Anthony C. Willis; Alan M. Sargeson; Paul V. Bernhardt; Stephen F. Ralph","An Unusually Flexible Expanded Hexaamine Cage and Its CuII Complexes: Variable Coordination Modes and Incomplete Encapsulation","Inorganic Chemistry","2011","50","","9131","9140","10.1021/ic201326d","","x-ray","0.71073","MoKα","","0.2252","0.0689","","","0.1559","0.1867","","","","","","0.71","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326293","10.527","0.001","15.585","0.002","19.257","0.003","90","","90.68","0.01","90","","3159.1","0.7","296.2","","296.2","","","","","","","","local","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H54 Cu N6 O6 S2 -","- C25 H54 Cu N6 O6 S2 -","- C100 H216 Cu4 N24 O24 S8 -","4","1","","Chang-Jin Qin; Lloyd James; Jy D. Chartres; Leighton J. Alcock; Kimberley J. Davis; Anthony C. Willis; Alan M. Sargeson; Paul V. Bernhardt; Stephen F. Ralph","An Unusually Flexible Expanded Hexaamine Cage and Its CuII Complexes: Variable Coordination Modes and Incomplete Encapsulation","Inorganic Chemistry","2011","50","","9131","9140","10.1021/ic201326d","","","0.7107","MoKα","","0.0835","0.0376","","0.039","0.0347","0.0347","","","1.472","1.647","1.647","1.647","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326294","18.9958","0.0012","10.735","0.0006","19.2966","0.0013","90","","119.174","0.009","90","","3435.8","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H57 Cu N9 O10 -","- C25 H57 Cu N9 O10 -","- C100 H228 Cu4 N36 O40 -","4","1","","Chang-Jin Qin; Lloyd James; Jy D. Chartres; Leighton J. Alcock; Kimberley J. Davis; Anthony C. Willis; Alan M. Sargeson; Paul V. Bernhardt; Stephen F. Ralph","An Unusually Flexible Expanded Hexaamine Cage and Its CuII Complexes: Variable Coordination Modes and Incomplete Encapsulation","Inorganic Chemistry","2011","50","","9131","9140","10.1021/ic201326d","","x-ray","0.71073","MoKα","","0.0695","0.0412","","","0.0858","0.0902","","","","","","0.884","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326295","7.41714","0.00019","9.6389","0.0002","15.9662","0.0004","74.928","0.002","88.339","0.002","73.568","0.002","1055.96","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Fe2 N24 Ni3 O3 -","- C24 H54 Fe2 N24 Ni3 O3 -","- C24 H54 Fe2 N24 Ni3 O3 -","1","0.5","","Radovan Herchel; Jiří Tuček; Zdeněk Trávníček; Dimitris Petridis; Radek Zbořil","Crystal Water Molecules as Magnetic Tuners in Molecular Metamagnets Exhibiting Antiferro-Ferro-Paramagnetic Transitions","Inorganic Chemistry","2011","50","","9153","9163","10.1021/ic201358c","","","0.71073","MoKα","","0.0239","0.02","","","0.0508","0.0516","","","","","","1.067","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326296","7.4441","0.0005","9.5528","0.0006","14.455","0.0008","78.584","0.005","77.08","0.005","79.211","0.005","971.03","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Fe2 N24 Ni3 -","- C24 H48 Fe2 N24 Ni3 -","- C24 H48 Fe2 N24 Ni3 -","1","0.5","","Radovan Herchel; Jiří Tuček; Zdeněk Trávníček; Dimitris Petridis; Radek Zbořil","Crystal Water Molecules as Magnetic Tuners in Molecular Metamagnets Exhibiting Antiferro-Ferro-Paramagnetic Transitions","Inorganic Chemistry","2011","50","","9153","9163","10.1021/ic201358c","","","0.71073","MoKα","","0.0724","0.0467","","","0.1099","0.1152","","","","","","0.938","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326297","39.707","0.003","39.707","0.003","38.342","0.005","90","","90","","90","","60452","10","296","2","296","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C84 H54 Cu3 N6 O15 -","- C84 H48 Cu3 N6 O15 -","- C672 H384 Cu24 N48 O120 -","8","0.5","","Hiroyasu Furukawa; Yong Bok Go; Nakeun Ko; Young Kwan Park; Fernando J. Uribe-Romo; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi","Isoreticular Expansion of Metal-Organic Frameworks with Triangular and Square Building Units and the Lowest Calculated Density for Porous Crystals","Inorganic Chemistry","2011","50","","9147","9152","10.1021/ic201376t","","","0.71073","MoKα","","0.182","0.0592","","","0.1193","0.1556","","","","","","0.875","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4326298","27.4719","0.0014","27.4719","0.0014","27.4719","0.0014","90","","90","","90","","20733.2","1.8","258","2","258","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- C54 H36 Cu3 O15 -","- C54 H30 Cu3 O15 -","- C216 H120 Cu12 O60 -","4","0.0833333","","Hiroyasu Furukawa; Yong Bok Go; Nakeun Ko; Young Kwan Park; Fernando J. Uribe-Romo; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi","Isoreticular Expansion of Metal-Organic Frameworks with Triangular and Square Building Units and the Lowest Calculated Density for Porous Crystals","Inorganic Chemistry","2011","50","","9147","9152","10.1021/ic201376t","","","0.71073","MoKα","","0.1836","0.0623","","","0.1358","0.1788","","","","","","0.984","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326299","68.3112","0.0006","68.3112","0.0006","68.3112","0.0006","90","","90","","90","","318769","5","258","2","258","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C90 H54 Cu3 N0 O15 -","- C90 H54 Cu3 O15 -","- C1440 H864 Cu48 O240 -","16","0.0833333","","Hiroyasu Furukawa; Yong Bok Go; Nakeun Ko; Young Kwan Park; Fernando J. Uribe-Romo; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi","Isoreticular Expansion of Metal-Organic Frameworks with Triangular and Square Building Units and the Lowest Calculated Density for Porous Crystals","Inorganic Chemistry","2011","50","","9147","9152","10.1021/ic201376t","","","1.54178","CuKα","","0.257","0.1525","","","0.439","0.4671","","","","","","1.274","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326300","16.1691","0.0015","18.3676","0.0017","20.8273","0.0019","96.626","0.002","105.473","0.001","96.841","0.001","5848.4","0.9","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- As2 Cu Fe6 H98 Mo22 N12 O110 -","- As2 Cu Fe6 Mo22 O122 -","- As4 Cu2 Fe12 Mo44 O244 -","2","1","","Bin Liu; Lili Li; Yanping Zhang; Ying Ma; Huaiming Hu; Ganglin Xue","Three Banana-Shaped Arsenomolybdates Encapsulating a Hexanuclear Transition-Metal Central Magnetic Cluster: [AsIII2FeIII5MMo22O85(H2O)]n- (M = Fe3+, n = 14; M = Ni2+ and Mn2+, n = 15)","Inorganic Chemistry","2011","50","","9172","9177","10.1021/ic201418q","","","0.71073","MoKα","","0.0846","0.0585","","","0.1932","0.2224","","","","","","1.024","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326301","16.3842","0.0011","17.6856","0.0011","19.9638","0.0013","93.388","0.001","107.607","0.001","99.464","0.001","5402.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- As2 Fe5 H96 Mo22 N15 Ni O103 -","- As2 Fe5 Mo22 Ni O118 -","- As4 Fe10 Mo44 Ni2 O236 -","2","1","","Bin Liu; Lili Li; Yanping Zhang; Ying Ma; Huaiming Hu; Ganglin Xue","Three Banana-Shaped Arsenomolybdates Encapsulating a Hexanuclear Transition-Metal Central Magnetic Cluster: [AsIII2FeIII5MMo22O85(H2O)]n- (M = Fe3+, n = 14; M = Ni2+ and Mn2+, n = 15)","Inorganic Chemistry","2011","50","","9172","9177","10.1021/ic201418q","","","0.71073","MoKα","","0.0668","0.0504","","","0.1477","0.1661","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326302","12.664","0.005","16.216","0.007","26.974","0.011","100.818","0.007","92.65","0.007","103.425","0.006","5269","4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- As2 Fe5 H102 Mn1.5 Mo22 N14 O108 -","- As2 Fe5 Mn1.5 Mo22 O116 -","- As4 Fe10 Mn3 Mo44 O232 -","2","1","","Bin Liu; Lili Li; Yanping Zhang; Ying Ma; Huaiming Hu; Ganglin Xue","Three Banana-Shaped Arsenomolybdates Encapsulating a Hexanuclear Transition-Metal Central Magnetic Cluster: [AsIII2FeIII5MMo22O85(H2O)]n- (M = Fe3+, n = 14; M = Ni2+ and Mn2+, n = 15)","Inorganic Chemistry","2011","50","","9172","9177","10.1021/ic201418q","","","0.71073","MoKα","","0.1698","0.0837","","","0.1901","0.2079","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326303","9.1111","0.0011","11.5682","0.0009","19.8771","0.0011","90","","98.401","0.001","90","","2072.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cu Mn N2 O13 -","- C14 H26 Cu Mn N2 O13 -","- C56 H104 Cu4 Mn4 N8 O52 -","4","1","","Jesús Ferrando-Soria; Jorge Pasán; Catalina Ruiz-Pérez; Yves Journaux; Miguel Julve; Francesc Lloret; Joan Cano; Emilio Pardo","Spin Control in Oxamato-Based Manganese(II)-Copper(II) Coordination Polymers with Brick-Wall Layer Architectures","Inorganic Chemistry","2011","50","","8694","8696","10.1021/ic201437u","","","0.7293","","","0.0315","0.0312","","","0.086","0.0862","","","","","","1.066","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326304","31.379","0.0005","31.379","0.0005","12.684","0.0002","90","","90","","120","","10816","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H28 Be3 N2 O12 P4 -","- C8 H20 Be3 N2 O12 P4 -","- C144 H360 Be54 N36 O216 P72 -","18","1","","Xiuchao Luo; Daibing Luo; Hongmei Zeng; Maochu Gong; Yaoqiang Chen; Zhien Lin","A 3,4-Connected Beryllium Phosphite Framework Containing 24-Ring Channels with a Very Low Density","Inorganic Chemistry","2011","50","","8697","8699","10.1021/ic2014539","","","0.71073","MoKα","","0.0765","0.0556","","","0.1462","0.1591","","","","","","1.042","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326305","8.9023","0.0008","12.016","0.0012","14.5095","0.0015","94.17","0.008","95.859","0.008","97.383","0.008","1525.4","0.3","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C34 H35 N5 O3 -","- C34 H35 N5 O3 -","- C68 H70 N10 O6 -","2","1","","Jy D. Chartres; Michael Busby; Mark J. Riley; Jason J. Davis; Paul V. Bernhardt","A Turn-on Fluorescent Iron Complex and Its Cellular Uptake","Inorganic Chemistry","2011","50","","9178","9183","10.1021/ic201495r","","x-ray","0.71073","MoKα","","0.2173","0.0435","","","0.0556","0.0723","","","","","","0.634","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326306","14.8014","0.001","16.1366","0.001","16.6841","0.0012","76.148","0.006","70.432","0.006","89.244","0.005","3635.8","0.5","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C68 H74 Cl3 Fe N10 O20 -","- C68 H70 Cl3 Fe N10 O20 -","- C136 H140 Cl6 Fe2 N20 O40 -","2","1","","Jy D. Chartres; Michael Busby; Mark J. Riley; Jason J. Davis; Paul V. Bernhardt","A Turn-on Fluorescent Iron Complex and Its Cellular Uptake","Inorganic Chemistry","2011","50","","9178","9183","10.1021/ic201495r","","x-ray","0.71073","MoKα","","0.3636","0.0754","","","0.1337","0.1961","","","","","","0.74","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326307","9.4863","0.0013","6.3903","0.0008","7.6386","0.0008","90","","116.008","0.003","90","","416.16","0.09","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Fe2 H3 Mo2 Na O10 -","- Fe2 H3 Mo2 Na O10 -","- Fe4 H6 Mo4 Na2 O20 -","2","0.25","","Wassim Maalej; Serge Vilminot; Gilles André; Zakaria Elaoud; Tahar Mhiri; Mohamedally Kurmoo","Existence of Two Concomitant Magnetic Structures Below TNéelfor the Natrochalcite, NaFeII2(H3O2)(MoO4)2","Inorganic Chemistry","2011","50","","9191","9199","10.1021/ic2015308","","","0.71073","MoKα","","0.0276","0.0195","","","0.0371","0.0385","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326308","21.015","0.002","21.015","0.002","21.015","0.002","90","","90","","90","","9280.9","1.5","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","polyaluminum bromide","polyaluminum bromide","","- Al12 Br24 H108 O60 -","- Al12 Br24 H107.99 O60 -","- Al48 Br96 H431.962 O240 -","4","0.0208333","","Zhong Sun; Hui Wang; Huijun Feng; Ying Zhang; Shuangyan Du","Crystal Structure of [Al~4~(OH)~6~(H~2~O)~12~][Al(H~2~O)~6~]~2~Br~12~: A New Polyaluminum Compound","Inorganic Chemistry","2011","50","","9238","9242","10.1021/ic2002749","","","0.71073","MoKα","","0.0342","0.0328","","","0.0878","0.0885","","","","","","1.074","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326309","25.85847","0.00001","50.00278","0.0001","11.81363","0.00002","90","","90","","90","","15275","0.04","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H34 F6 Fe N12 O10 S2 -","- C30 H34 F6 Fe N12 O10 S2 -","- C480 H544 F96 Fe16 N192 O160 S32 -","16","1","","Pieter C. A. Bruijnincx; Inge L. C. Buurmans; Yuxing Huang; Gergely Juhász; Marta Viciano-Chumillas; Manuel Quesada; Jan Reedijk; Martin Lutz; Anthony L. Spek; Eckard Münck; Emile L. Bominaar; Robertus J. M. Klein Gebbink","Mono- and Dinuclear Iron Complexes of Bis(1-methylimidazol-2-yl)ketone (bik): Structure, Magnetic Properties, and Catalytic Oxidation Studies","Inorganic Chemistry","2011","50","","9243","9255","10.1021/ic200332y","","","0.71073","MoKα","","0.0357","0.0278","","","0.0593","0.0624","","","","","","1.033","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326310","23.5604","0.001","14.6757","0.001","13.9671","0.001","90","","92.071","0.001","90","","4826.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Fe2 N20 O20 -","- C36 H46 Fe2 N20 O20 -","- C144 H184 Fe8 N80 O80 -","4","0.5","","Pieter C. A. Bruijnincx; Inge L. C. Buurmans; Yuxing Huang; Gergely Juhász; Marta Viciano-Chumillas; Manuel Quesada; Jan Reedijk; Martin Lutz; Anthony L. Spek; Eckard Münck; Emile L. Bominaar; Robertus J. M. Klein Gebbink","Mono- and Dinuclear Iron Complexes of Bis(1-methylimidazol-2-yl)ketone (bik): Structure, Magnetic Properties, and Catalytic Oxidation Studies","Inorganic Chemistry","2011","50","","9243","9255","10.1021/ic200332y","","","0.71073","MoKα","","0.0677","0.0473","","","0.0934","0.1029","","","","","","1.081","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326311","8.5415","0.0005","24.4718","0.0013","6.9908","0.0004","90","","109.996","0.001","90","","1373.17","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Ag2 N14 O6 -","- C24 H20 Ag2 N14 O6 -","- C48 H40 Ag4 N28 O12 -","2","0.5","","Cheng-Peng Li; Jing-Min Wu; Miao Du","Inducing Effect of Additive Agents on Coordination Assembly of Silver(I) Nitrate with 3,5-Bis(2-pyridyl)-4-amino-1,2,4-triazole: Supramolecular Isomerism and Interconversion","Inorganic Chemistry","2011","50","","9284","9289","10.1021/ic200540c","","","0.71073","MoKα","","0.0368","0.0297","","","0.07","0.0737","","","","","","1.042","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326312","7.4816","0.0006","8.1746","0.0007","22.8228","0.0018","90","","90","","90","","1395.8","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Ag N7 O3 -","- C12 H10 Ag N7 O3 -","- C48 H40 Ag4 N28 O12 -","4","1","","Cheng-Peng Li; Jing-Min Wu; Miao Du","Inducing Effect of Additive Agents on Coordination Assembly of Silver(I) Nitrate with 3,5-Bis(2-pyridyl)-4-amino-1,2,4-triazole: Supramolecular Isomerism and Interconversion","Inorganic Chemistry","2011","50","","9284","9289","10.1021/ic200540c","","","0.71073","MoKα","","0.0236","0.0228","","","0.0574","0.0579","","","","","","1.081","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326313","9.772","0.003","10.024","0.003","17.882","0.006","80.286","0.005","75.748","0.005","85.834","0.005","1672.5","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","complex1","","","- C36 H42 Cl2 O P2 Zn -","- C36 H42 Cl2 O P2 Zn -","- C72 H84 Cl4 O2 P4 Zn2 -","2","1","","Elodie E. Marlier; Stephen J. Tereniak; Keying Ding; Jenna E. Mulliken; Connie C. Lu","First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle DiphosphineiPrDPDBFphos and Reactivity Studies of Monovalent Nickel","Inorganic Chemistry","2011","50","","9290","9299","10.1021/ic200589e","","","0.71073","MoKα","","0.0712","0.0428","","","0.0959","0.1083","","","","","","1.05","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326314","9.772","0.001","10.0197","0.001","17.9389","0.0019","80.377","0.002","76.006","0.001","85.94","0.002","1679.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","complex2","","","- C36 H42 Cl2 Co O P2 -","- C36 H42 Cl2 Co O P2 -","- C72 H84 Cl4 Co2 O2 P4 -","2","1","","Elodie E. Marlier; Stephen J. Tereniak; Keying Ding; Jenna E. Mulliken; Connie C. Lu","First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle DiphosphineiPrDPDBFphos and Reactivity Studies of Monovalent Nickel","Inorganic Chemistry","2011","50","","9290","9299","10.1021/ic200589e","","","0.71073","MoKα","","0.0583","0.0372","","","0.083","0.0928","","","","","","1.021","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326315","19.181","0.003","9.0591","0.0013","21.04","0.003","90","","115.196","0.002","90","","3308.1","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex3","","","- C36 H42 Cl2 Ni O P2 -","- C36 H42 Cl2 Ni O P2 -","- C144 H168 Cl8 Ni4 O4 P8 -","4","1","","Elodie E. Marlier; Stephen J. Tereniak; Keying Ding; Jenna E. Mulliken; Connie C. Lu","First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle DiphosphineiPrDPDBFphos and Reactivity Studies of Monovalent Nickel","Inorganic Chemistry","2011","50","","9290","9299","10.1021/ic200589e","","","0.71073","MoKα","","0.0432","0.0295","","","0.0669","0.0777","","","","","","1.043","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326316","24.277","0.004","17.431","0.003","16.052","0.003","90","","105.405","0.002","90","","6549","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","iPrDPDBFphosNiCl, 4","","","- C36 H42 Cl Ni O P2 -","- C36 H42 Cl Ni O P2 -","- C288 H336 Cl8 Ni8 O8 P16 -","8","2","","Elodie E. Marlier; Stephen J. Tereniak; Keying Ding; Jenna E. Mulliken; Connie C. Lu","First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle DiphosphineiPrDPDBFphos and Reactivity Studies of Monovalent Nickel","Inorganic Chemistry","2011","50","","9290","9299","10.1021/ic200589e","","","0.71073","MoKα","","0.11","0.054","","","0.0904","0.1043","","","","","","1.029","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326317","11.952","0.003","15.245","0.003","20.695","0.005","88.084","0.003","73.958","0.002","89.567","0.003","3621.9","1.4","123","2","296","2","","","","","","","","6","P -1","-P 1","2","(iPrDPDBFphos)Ni(Cl)(C2H3)","","","- C38 H45 Cl Ni O P2 -","- C38 H45 Cl Ni O P2 -","- C152 H180 Cl4 Ni4 O4 P8 -","4","2","","Elodie E. Marlier; Stephen J. Tereniak; Keying Ding; Jenna E. Mulliken; Connie C. Lu","First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle DiphosphineiPrDPDBFphos and Reactivity Studies of Monovalent Nickel","Inorganic Chemistry","2011","50","","9290","9299","10.1021/ic200589e","","","0.71073","MoKα","","0.0645","0.0563","","","0.1406","0.1437","","","","","","1.128","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326318","29.1361","0.0013","29.1361","0.0013","55.364","0.003","90","","90","","120","","40702","3","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C71 H51 Cl13 N11 O2 Ru2 -","- C71 H51 Cl13 N11 O2 Ru2 -","- C1278 H918 Cl234 N198 O36 Ru36 -","18","1","","William P. Forrest; Zhi Cao; Wei-Zhong Chen; Kerry M. Hassell; Anastasia Kharlamova; Greta Jakstonyte; Tong Ren","Decorating Diruthenium Compounds with Fréchet Dendrons via the Click Reaction","Inorganic Chemistry","2011","50","","9345","9353","10.1021/ic200929r","","","0.71073","MO-Kα","","0.088","0.058","","","0.13","0.141","","","","","","1.019","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326319","13.5732","0.001","9.5786","0.001","22.716","0.002","90","","99.247","0.003","90","","2915","0.5","193","2","193","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Cl2 Mn N4 O13 -","- C22 H32 Cl2 Mn N4 O13 -","- C88 H128 Cl8 Mn4 N16 O52 -","4","0.5","","Qiao Zhang; John D. Gorden; Ronald J. Beyers; Christian R. Goldsmith","Manganese(II)-Containing MRI Contrast Agent Employing a Neutral and Non-Macrocyclic Ligand","Inorganic Chemistry","2011","50","","9365","9373","10.1021/ic2009495","","x-ray","0.71073","MoKα","","0.1389","0.0518","","","0.132","0.1589","","","","","","0.84","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326320","13.983","0.002","47.723","0.008","9.4858","0.0015","90","","90","","90","","6330","1.7","198","2","198","2","","","","","","","synthesis as described","7","F d d 2","F 2 -2d","43","","","","- C24 H32 F6 Fe N4 O11 S2 -","- C24 H32 F6 Fe N4 O11 S2 -","- C192 H256 F48 Fe8 N32 O88 S16 -","8","0.5","","Qiao Zhang; John D. Gorden; Ronald J. Beyers; Christian R. Goldsmith","Manganese(II)-Containing MRI Contrast Agent Employing a Neutral and Non-Macrocyclic Ligand","Inorganic Chemistry","2011","50","","9365","9373","10.1021/ic2009495","","x-ray","0.71073","MoKα","","0.0494","0.0409","","","0.0955","0.0998","","","","","","1.018","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326321","10.2626","0.0006","12.775","0.0008","13.5173","0.0008","72.27","0.001","70.608","0.001","73.394","0.001","1558.25","0.16","188","2","188","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H33 Cl2 Co N5 O12 -","- C24 H33 Cl2 Co N5 O12 -","- C48 H66 Cl4 Co2 N10 O24 -","2","1","","Qiao Zhang; John D. Gorden; Ronald J. Beyers; Christian R. Goldsmith","Manganese(II)-Containing MRI Contrast Agent Employing a Neutral and Non-Macrocyclic Ligand","Inorganic Chemistry","2011","50","","9365","9373","10.1021/ic2009495","","x-ray","0.71073","MoKα","","0.0687","0.0577","","","0.1756","0.1847","","","","","","1.047","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326322","10.3714","0.0007","12.6946","0.0009","13.5156","0.001","71.807","0.002","70.823","0.002","73.28","0.002","1562.35","0.19","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H33 Cl2 N5 Ni O12 -","- C24 H33 Cl2 N5 Ni O12 -","- C48 H66 Cl4 N10 Ni2 O24 -","2","1","","Qiao Zhang; John D. Gorden; Ronald J. Beyers; Christian R. Goldsmith","Manganese(II)-Containing MRI Contrast Agent Employing a Neutral and Non-Macrocyclic Ligand","Inorganic Chemistry","2011","50","","9365","9373","10.1021/ic2009495","","x-ray","0.71073","MoKα","","0.1286","0.0705","","","0.1701","0.1976","","","","","","0.992","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326323","15.7195","0.0014","13.5426","0.0012","13.0717","0.0012","90","","100.91","0.002","90","","2732.4","0.4","198","2","198","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Cl2 N4 O12 Zn -","- C22 H30 Cl2 N4 O12 Zn -","- C88 H120 Cl8 N16 O48 Zn4 -","4","0.5","","Qiao Zhang; John D. Gorden; Ronald J. Beyers; Christian R. Goldsmith","Manganese(II)-Containing MRI Contrast Agent Employing a Neutral and Non-Macrocyclic Ligand","Inorganic Chemistry","2011","50","","9365","9373","10.1021/ic2009495","","x-ray","0.71073","MoKα","","0.1194","0.08","","","0.1745","0.1901","","","","","","1.082","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326324","9.848","0.0002","9.848","0.0002","35.0588","0.0014","90","","90","","90","","3400.11","0.17","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C74 H81 In2 N5 O26 -","- C66.746 H51.074 In2 N2.582 O18.582 -","- C133.492 H102.148 In4 N5.164 O37.164 -","2","0.5","","Sihai Yang; Gregory S. B. Martin; Jeremy J. Titman; Alexander J. Blake; David R. Allan; Neil R. Champness; Martin Schröder","Pore with Gate: Enhancement of the Isosteric Heat of Adsorption of Dihydrogen via Postsynthetic Cation Exchange in Metal-Organic Frameworks","Inorganic Chemistry","2011","50","","9374","9384","10.1021/ic200967b","","","0.6939","synchrotron","","0.0409","0.0396","","","0.0965","0.0974","","","","","","1.057","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326325","9.892","0.01","9.617","0.009","35.11","0.03","90","","90.544","0.017","90","","3340","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H62.4 In2 Li1.2 O30.8 -","- C60 H32 In2 Li O16 -","- C120 H64 In4 Li2 O32 -","2","0.5","","Sihai Yang; Gregory S. B. Martin; Jeremy J. Titman; Alexander J. Blake; David R. Allan; Neil R. Champness; Martin Schröder","Pore with Gate: Enhancement of the Isosteric Heat of Adsorption of Dihydrogen via Postsynthetic Cation Exchange in Metal-Organic Frameworks","Inorganic Chemistry","2011","50","","9374","9384","10.1021/ic200967b","","","0.6889","synchrotron","","0.119","0.112","","","0.263","0.269","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326326","45.04","0.005","9.7592","0.001","9.9522","0.001","90","","102.486","0.002","90","","4271.1","0.8","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H45 In N3 O12.5 -","- C36 H24 In N O8 -","- C144 H96 In4 N4 O32 -","4","0.5","","Sihai Yang; Gregory S. B. Martin; Jeremy J. Titman; Alexander J. Blake; David R. Allan; Neil R. Champness; Martin Schröder","Pore with Gate: Enhancement of the Isosteric Heat of Adsorption of Dihydrogen via Postsynthetic Cation Exchange in Metal-Organic Frameworks","Inorganic Chemistry","2011","50","","9374","9384","10.1021/ic200967b","","","0.6941","synchrotron","","0.0995","0.08","","","0.213","0.226","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326327","45.2","0.02","9.738","0.005","9.944","0.003","90","","102.053","0.019","90","","4280","3","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C80 H83.8 In2 Li1.4 O31.6 -","- C65 H33 In2 Li O18 -","- C130 H66 In4 Li2 O36 -","2","0.25","","Sihai Yang; Gregory S. B. Martin; Jeremy J. Titman; Alexander J. Blake; David R. Allan; Neil R. Champness; Martin Schröder","Pore with Gate: Enhancement of the Isosteric Heat of Adsorption of Dihydrogen via Postsynthetic Cation Exchange in Metal-Organic Frameworks","Inorganic Chemistry","2011","50","","9374","9384","10.1021/ic200967b","","","0.6889","synchrotron","","0.1035","0.0896","","","0.2013","0.2107","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326328","12.341","0.0017","9.2424","0.0013","18.168","0.003","90","","101.631","0.002","90","","2029.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H11 Br O6 -","- C25 H13 Br O6 -","- C100 H52 Br4 O24 -","4","1","","Michael D. Pluth; Maria R. Chan; Lindsey E. McQuade; Stephen J. Lippard","Seminaphthofluorescein-Based Fluorescent Probes for Imaging Nitric Oxide in Live Cells","Inorganic Chemistry","2011","50","","9385","9392","10.1021/ic200986v","","","0.71073","MoKα","","0.0559","0.0418","","","0.1052","0.1153","","","","","","1.059","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326329","8.752","0.0004","10.2507","0.0004","14.9209","0.0005","71.085","0.001","77.089","0.002","73.679","0.002","1202.32","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 B4 O Ta2 -","- C20 H38 B4 O Ta2 -","- C40 H76 B8 O2 Ta4 -","2","1","","Shubhankar Kumar Bose; K. Geetharani; Satyanarayan Sahoo; K. Hari Krishna Reddy; Babu Varghese; Eluvathingal D. Jemmis; Sundargopal Ghosh","Synthesis, Characterization, and Electronic Structure of New Type of Heterometallic Boride Clusters","Inorganic Chemistry","2011","50","","9414","9422","10.1021/ic201046g","","","0.71073","MoKα","","0.0342","0.024","","","0.0503","0.0567","","","","","","1.125","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326330","10.362","0.005","8.747","0.005","34.653","0.005","90","0.005","97.544","0.005","90","0.005","3114","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 B3 Fe2 O7 Ta2 -","- C26 H34 B3 Fe2 O7 Ta2 -","- C104 H136 B12 Fe8 O28 Ta8 -","4","1","","Shubhankar Kumar Bose; K. Geetharani; Satyanarayan Sahoo; K. Hari Krishna Reddy; Babu Varghese; Eluvathingal D. Jemmis; Sundargopal Ghosh","Synthesis, Characterization, and Electronic Structure of New Type of Heterometallic Boride Clusters","Inorganic Chemistry","2011","50","","9414","9422","10.1021/ic201046g","","","0.71073","MoKα","","0.0605","0.044","","","0.0884","0.0939","","","","","","1.1","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326331","13.6872","0.0004","18.8944","0.0005","16.9128","0.0005","90","","92.191","0.003","90","","4370.6","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 B4 Fe6 Mo2 O13 Se2 -","- C33 H31 B4 Fe6 Mo2 O13 Se2 -","- C132 H124 B16 Fe24 Mo8 O52 Se8 -","4","1","","Shubhankar Kumar Bose; K. Geetharani; Satyanarayan Sahoo; K. Hari Krishna Reddy; Babu Varghese; Eluvathingal D. Jemmis; Sundargopal Ghosh","Synthesis, Characterization, and Electronic Structure of New Type of Heterometallic Boride Clusters","Inorganic Chemistry","2011","50","","9414","9422","10.1021/ic201046g","","","0.71073","MoKα","","0.0666","0.0385","","","0.0828","0.0861","","","","","","0.871","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4326332","12.0398","0.0013","22.128","0.002","12.1003","0.0013","90","","104.802","0.002","90","","3116.7","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","jonsk05","[(PONOP)NiCl]2 NiCl4","","- C44 H82 Cl10 N2 Ni3 O4 P4 -","- C44 H82 Cl10 N2 Ni3 O4 P4 -","- C88 H164 Cl20 N4 Ni6 O8 P8 -","2","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.0928","0.0507","","","0.1066","0.1238","","","","","","1.018","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326333","16.3616","0.001","13.9083","0.0008","20.3935","0.0013","90","","112.401","0.001","90","","4290.6","0.5","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","jonsk40","Ni(PONOP)Cl PPh4","","- C45 H59 B Cl N Ni O2 P2 -","- C45 H59 B Cl N Ni O2 P2 -","- C180 H236 B4 Cl4 N4 Ni4 O8 P8 -","4","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.072","0.0418","","","0.0987","0.1132","","","","","","1.019","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326334","11.8288","0.0011","30.551","0.003","13.1438","0.0012","90","","91.284","0.002","90","","4748.7","0.8","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","jonsk42","Pd(PONOP)Cl BPh4","","- C51 H65 B Cl N O2 P2 Pd -","- C51 H65 B Cl N O2 P2 Pd -","- C204 H260 B4 Cl4 N4 O8 P8 Pd4 -","4","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.0699","0.0432","","","0.0928","0.104","","","","","","1.029","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326335","11.635","0.003","23.104","0.006","17.868","0.004","90","","95.038","0.005","90","","4785","2","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","jonsk45","[(PONOP)PtCl] BPh4.C6H6","","- C51 H65 B Cl N O2 P2 Pt -","- C51 H65 B Cl N O2 P2 Pt -","- C204 H260 B4 Cl4 N4 O8 P8 Pt4 -","4","2","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.0949","0.0571","","","0.0955","0.1095","","","","","","1.003","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326336","8.3879","0.0016","11.824","0.002","13.358","0.003","99.784","0.004","95.584","0.004","103.959","0.004","1253.7","0.4","173","0.5","173","0.5","","","","","","","","7","P -1","-P 1","2","jonsk03_4a","(H-PONOP)NiCl","","- C21 H40 Cl N Ni O2 P2 -","- C21 H40 Cl N Ni O2 P2 -","- C42 H80 Cl2 N2 Ni2 O4 P4 -","2","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.0873","0.0482","","","0.1048","0.1205","","","","","","1.013","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326337","8.2561","0.001","11.9401","0.0015","13.3069","0.0016","100.829","0.002","95.463","0.002","103.295","0.002","1240.7","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","jonsk44","(H-PONOP)PdCl","","- C21 H40 Cl N O2 P2 Pd -","- C21 H40 Cl N O2 P2 Pd -","- C42 H80 Cl2 N2 O4 P4 Pd2 -","2","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.0697","0.0447","","","0.0949","0.1061","","","","","","1.017","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326338","8.2801","0.0006","11.9068","0.0008","13.3136","0.0009","100.917","0.001","95.324","0.001","103.052","0.001","1242.86","0.15","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","jonsk41","Pt(H-PONOP)Cl","","- C21 H40 Cl N O2 P2 Pt -","- C21 H40 Cl N O2 P2 Pt -","- C42 H80 Cl2 N2 O4 P4 Pt2 -","2","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.0632","0.043","","","0.077","0.0857","","","","","","1.061","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326339","12.2481","0.001","11.949","0.001","20.7932","0.0017","90","","100.013","0.002","90","","2996.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","jonsk06","(tBuNC)3NiPONOPNi(CNtBu)3","","- C51 H93 N7 Ni2 O2 P2 -","- C51 H93 N7 Ni2 O2 P2 -","- C102 H186 N14 Ni4 O4 P4 -","2","0.5","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.1113","0.0542","","","0.1135","0.1369","","","","","","1.015","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326340","12.6621","0.0017","16.885","0.002","25.449","0.004","90","","90","","90","","5441","1.3","100","0.1","100","0.1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","jonsk12","Ni(PONOPONOP)","","- C26 H42 N2 Ni O4 P2 -","- C26 H42 N2 Ni O4 P2 -","- C208 H336 N16 Ni8 O32 P16 -","8","0.25","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.1147","0.0767","","","0.1722","0.1858","","","","","","1.146","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326341","8.2998","0.0019","12.048","0.003","13.204","0.003","99.959","0.004","96.29","0.004","104.381","0.004","1243.5","0.5","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","jonsk13","NiCl(PONOP)","","- C21 H39 Cl N Ni O2 P2 -","- C21 H39 Cl N Ni O2 P2 -","- C42 H78 Cl2 N2 Ni2 O4 P4 -","2","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.1278","0.064","","","0.1157","0.136","","","","","","0.955","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326342","8.2975","0.001","10.5455","0.0012","16.913","0.002","91.503","0.002","100.764","0.002","109.749","0.002","1362","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonsk18","Ni(PONOP)(Ph)","","- C26.01 H44.34 N Ni O2.17 P2 -","- C26.016 H44.344 N Ni O2.164 P2 -","- C52.032 H88.688 N2 Ni2 O4.328 P4 -","2","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.1033","0.0558","","","0.0997","0.1156","","","","","","1.005","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326343","8.937","0.003","10.663","0.003","11.394","0.003","85.954","0.006","67.868","0.005","73.267","0.006","962.3","0.5","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","jonsk10","","","- C16 H36 Ni P2 -","- C16 H36 Ni P2 -","- C32 H72 Ni2 P4 -","2","1","","Sabuj Kundu; William W. Brennessel; William D. Jones","Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes","Inorganic Chemistry","2011","50","","9443","9453","10.1021/ic201102v","","","0.71073","MoKα","","0.2273","0.0954","","","0.2092","0.2773","","","","","","0.978","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326344","7.869","0.0012","5.445","0.0011","10.9081","0.0012","90","","108.799","0.014","90","","442.44","0.13","150","1","150","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H14 N2 -","- C9 H14 N2 -","- C18 H28 N4 -","2","1","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0575","0.0471","","","0.1131","0.1229","","","","","","1.14","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326345","10.3962","0.0007","10.895","0.0003","21.8498","0.0013","96.279","0.004","94.609","0.006","112.426","0.006","2253.8","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N2 Si -","- C27 H28 N2 Si -","- C108 H112 N8 Si4 -","4","2","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.1112","0.064","","","0.1087","0.1295","","","","","","1.135","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326346","10.4391","0.0006","10.979","0.0004","21.8049","0.001","96.161","0.004","94.939","0.004","112.501","0.004","2273.4","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 Ge N2 -","- C27 H28 Ge N2 -","- C108 H112 Ge4 N8 -","4","2","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0597","0.038","","","0.0701","0.0796","","","","","","1.136","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326347","17.7691","0.0009","10","0.0008","15.4009","0.0006","90","","92.782","0.012","90","","2733.4","0.3","150","1","150","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H42 Ge N4 Si2 -","- C24 H42 Ge N4 Si2 -","- C96 H168 Ge4 N16 Si8 -","4","1","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0759","0.069","","","0.1617","0.1668","","","","","","1.132","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326348","9.8378","0.0009","10.6822","0.0008","14.9001","0.0008","77.456","0.005","86.819","0.006","66.805","0.006","1404.1","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Ge N4 Si2 -","- C24 H42 Ge N4 Si2 -","- C48 H84 Ge2 N8 Si4 -","2","1","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0543","0.0373","","","0.0844","0.0966","","","","","","1.091","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326349","13.72","0.0011","14.401","0.0012","18.5601","0.0007","90","","129.951","0.005","90","","2811.2","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 N4 Si2 Sn -","- C24 H42 N4 Si2 Sn -","- C96 H168 N16 Si8 Sn4 -","4","1","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.053","0.0306","","","0.0563","0.0658","","","","","","1.105","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326350","10.576","0.0007","14.4601","0.0014","23.856","0.002","80.329","0.007","86.883","0.007","70.892","0.007","3398.3","0.5","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C75 H96 Ge2 N4 Sn -","- C75 H96 Ge2 N4 Sn -","- C150 H192 Ge4 N8 Sn2 -","2","1","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.1237","0.0883","","","0.205","0.2303","","","","","","1.123","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326351","34.1866","0.0009","8.4024","0.0011","19.1884","0.0007","90","","111.428","0.011","90","","5130.9","0.8","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cl Ge N2 Sn -","- C27 H27 Cl Ge N2 Sn -","- C216 H216 Cl8 Ge8 N16 Sn8 -","8","1","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.051","0.0314","","","0.0544","0.062","","","","","","1.105","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326352","14.043","0.0009","14.043","0.0008","9.6569","0.0007","90","","90","","90","","1904.4","0.2","150","1","150","1","","","","","","","","4","I -4","I -4","82","","","","- C36 H48 N8 Sn4 -","- C36 H48 N8 Sn4 -","- C72 H96 N16 Sn8 -","2","0.25","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0276","0.0224","","","0.0427","0.0453","","","","","","1.079","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326353","7.6861","0.0004","8.895","0.0003","9.0669","0.0003","105.14","0.003","91.336","0.003","99.662","0.004","588.41","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H36 N4 Sn2 -","- C22 H36 N4 Sn2 -","- C22 H36 N4 Sn2 -","1","0.5","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0171","0.0161","","","0.0394","0.0401","","","","","","1.129","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326354","6.8431","0.0004","12.71","0.0007","19.6427","0.0012","90","","110.055","0.005","90","","1604.85","0.17","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Cl2 N4 Pb2 Si2 -","- C24 H42 Cl2 N4 Pb2 Si2 -","- C48 H84 Cl4 N8 Pb4 Si4 -","2","0.5","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.065","0.0409","","","0.0819","0.0925","","","","","","1.145","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326355","8.0329","0.0006","8.3901","0.0009","12.352","0.0007","90","","118.809","0.006","90","","729.45","0.11","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.0487","0.037","","","0.0839","0.0903","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326356","9.667","0.0005","14.081","0.0005","16.6901","0.0014","90","","115.567","0.007","90","","2049.4","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 Li2 N4 O6 Si2 -","- C36 H66 Li2 N4 O6 Si2 -","- C72 H132 Li4 N8 O12 Si4 -","2","0.5","","Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička","Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline","Inorganic Chemistry","2011","50","","9454","9464","10.1021/ic2011056","","","0.71073","MoKα","","0.1146","0.0669","","","0.1142","0.1375","","","","","","1.16","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326357","15.4247","0.0001","22.7633","0.0002","24.5075","0.0002","99.551","0.001","107.033","0.001","103.373","0.001","7747.79","0.13","115","2","115","2","","","","","","","","7","P -1","-P 1","2","","","","- C139 H128 Au3 Cl26 F18 P9 Ti6 -","- C139 H128 Au3 Cl26 F18 P9 Ti6 -","- C278 H256 Au6 Cl52 F36 P18 Ti12 -","2","1","","Margot Wenzel; Benoît Bertrand; Marie-Joëlle Ondel-Eymin; Virginie Comte; Jennifer A. Harvey; Philippe Richard; Michael Groessl; Olivier Zava; Hedi Amrouche; Pierre D. Harvey; Pierre Le Gendre; Michel Picquet; Angela Casini","Multinuclear Cytotoxic Metallodrugs: Physicochemical Characterization and Biological Properties of Novel Heteronuclear Gold-Titanium Complexes","Inorganic Chemistry","2011","50","","9472","9480","10.1021/ic201155y","","","0.71073","MoKα","","0.0536","0.0369","","","0.0826","0.0889","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326358","18.9966","0.0003","18.5304","0.0003","13.0245","0.0002","90","","107.432","0.001","90","","4374.25","0.12","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Au Cl3 P Ti -","- C22 H19 Au Cl3 P Ti -","- C176 H152 Au8 Cl24 P8 Ti8 -","8","2","","Margot Wenzel; Benoît Bertrand; Marie-Joëlle Ondel-Eymin; Virginie Comte; Jennifer A. Harvey; Philippe Richard; Michael Groessl; Olivier Zava; Hedi Amrouche; Pierre D. Harvey; Pierre Le Gendre; Michel Picquet; Angela Casini","Multinuclear Cytotoxic Metallodrugs: Physicochemical Characterization and Biological Properties of Novel Heteronuclear Gold-Titanium Complexes","Inorganic Chemistry","2011","50","","9472","9480","10.1021/ic201155y","","","0.71073","MoKα","","0.0459","0.03","","","0.0586","0.0635","","","","","","1.025","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326359","41.8983","0.0016","41.8983","0.0016","7.197","0.0004","90","","90","","120","","10941.5","0.8","120","2","120","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C12 H34 Cl2 Ga2 N2 O Si2 -","- C12 H34 Cl2 Ga2 N2 O Si2 -","- C216 H612 Cl36 Ga36 N36 O18 Si36 -","18","1","","Caroline E. Knapp; David Pugh; Paul F. McMillan; Ivan P. Parkin; Claire J. Carmalt","Synthetic and Structural Studies of Donor-Functionalized Alkoxy Derivatives of Gallium","Inorganic Chemistry","2011","50","","9491","9498","10.1021/ic201167r","","","0.71073","MoKα","","0.1065","0.0855","","","0.1559","0.1645","","","","","","1.132","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326360","7.8482","0.0002","8.0323","0.0003","12.0382","0.0003","99.273","0.002","92.909","0.002","102.636","0.002","727.9","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H27 Ga N2 O2 -","- C11 H27 Ga N2 O2 -","- C22 H54 Ga2 N4 O4 -","2","1","","Caroline E. Knapp; David Pugh; Paul F. McMillan; Ivan P. Parkin; Claire J. Carmalt","Synthetic and Structural Studies of Donor-Functionalized Alkoxy Derivatives of Gallium","Inorganic Chemistry","2011","50","","9491","9498","10.1021/ic201167r","","","0.71073","MoKα","","0.0308","0.028","","","0.0723","0.0745","","","","","","1.089","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326361","7.0602","0.0006","15.1857","0.0013","9.8564","0.0006","90","","125.54","0.004","90","","859.88","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cl2 Ga2 O2 -","- C10 H24 Cl2 Ga2 O2 -","- C20 H48 Cl4 Ga4 O4 -","2","0.5","","Caroline E. Knapp; David Pugh; Paul F. McMillan; Ivan P. Parkin; Claire J. Carmalt","Synthetic and Structural Studies of Donor-Functionalized Alkoxy Derivatives of Gallium","Inorganic Chemistry","2011","50","","9491","9498","10.1021/ic201167r","","","0.71073","MoKα","","0.0415","0.0356","","","0.0721","0.0751","","","","","","1.119","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326362","6.9419","0.0006","10.253","0.0009","13.4989","0.001","90","","118.541","0.003","90","","844.03","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 Ga2 N2 O2 -","- C8 H20 Cl4 Ga2 N2 O2 -","- C16 H40 Cl8 Ga4 N4 O4 -","2","0.5","","Caroline E. Knapp; David Pugh; Paul F. McMillan; Ivan P. Parkin; Claire J. Carmalt","Synthetic and Structural Studies of Donor-Functionalized Alkoxy Derivatives of Gallium","Inorganic Chemistry","2011","50","","9491","9498","10.1021/ic201167r","","","0.71073","MoKα","","0.0234","0.0214","","","0.0528","0.0535","","","","","","1.074","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326363","37.285","0.003","37.285","0.003","27.182","0.005","90","","90","","120","","32725","7","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C60 H60 N10 -","- C60 H60 N10 -","- C1440 H1440 N240 -","24","1.33333","","Rui Cao; Brian D. McCarthy; Stephen J. Lippard","Immobilization, Trapping, and Anion Exchange of Perrhenate Ion Using Copper-Based Tripodal Complexes","Inorganic Chemistry","2011","50","","9499","9507","10.1021/ic201172r","","","0.71073","MoKα","","0.0769","0.0615","","","0.183","0.196","","","","","","1.06","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326364","23.6804","0.0017","23.6804","0.0017","30.596","0.005","90","","90","","120","","14858","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H60 Cl3 Cu3 F18 N10 P3 -","- C60 H60 Cl3 Cu3 F18 N10 P3 -","- C360 H360 Cl18 Cu18 F108 N60 P18 -","6","0.333333","","Rui Cao; Brian D. McCarthy; Stephen J. Lippard","Immobilization, Trapping, and Anion Exchange of Perrhenate Ion Using Copper-Based Tripodal Complexes","Inorganic Chemistry","2011","50","","9499","9507","10.1021/ic201172r","","","0.71073","MoKα","","0.0778","0.0558","","","0.168","0.1792","","","","","","1.086","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326365","24.0723","0.0018","13.7658","0.0011","23.2674","0.0018","90","","95.93","0.001","90","","7669","1","100","2","100","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C60 H60 Cl3 Cu3 F6 N10 O8 P Re2 -","- C60 H60 Cl3 Cu3 F6 N10 O8 P Re2 -","- C240 H240 Cl12 Cu12 F24 N40 O32 P4 Re8 -","4","1","","Rui Cao; Brian D. McCarthy; Stephen J. Lippard","Immobilization, Trapping, and Anion Exchange of Perrhenate Ion Using Copper-Based Tripodal Complexes","Inorganic Chemistry","2011","50","","9499","9507","10.1021/ic201172r","","","0.71073","MoKα","","0.0559","0.0493","","","0.1407","0.1483","","","","","","1.05","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326366","8.1905","0.0016","12.172","0.002","12.592","0.003","62.68","0.03","75.69","0.03","82.13","0.03","1080.3","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H13 Au F5 N2 P S -","- C22 H13 Au F5 N2 P S -","- C44 H26 Au2 F10 N4 P2 S2 -","2","1","","Olga Crespo; M. Concepción Gimeno; Antonio Laguna; Fernando J. Lahoz; Carmen Larraz","Unprecedented Luminescent Heteropolynuclear Aggregates with Gold Thiolates as Building Blocks","Inorganic Chemistry","2011","50","","9533","9544","10.1021/ic201245q","","","0.71073","MoKα","","0.0211","0.0204","","","0.0496","0.05","","","","","","1.098","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326367","12.151","0.0019","14.676","0.002","17.507","0.003","97.095","0.002","107.186","0.003","101.797","0.003","2862.6","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C51 H35 Ag2 Au2 F16 N2 O6 P2 S4 -","- C51 H35 Ag2 Au2 F16 N2 O6 P2 S4 -","- C102 H70 Ag4 Au4 F32 N4 O12 P4 S8 -","2","1","","Olga Crespo; M. Concepción Gimeno; Antonio Laguna; Fernando J. Lahoz; Carmen Larraz","Unprecedented Luminescent Heteropolynuclear Aggregates with Gold Thiolates as Building Blocks","Inorganic Chemistry","2011","50","","9533","9544","10.1021/ic201245q","","","0.71073","MoKα","","0.0312","0.0278","","","0.0696","0.0708","","","","","","1.006","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326368","12.373","0.003","12.731","0.003","21.418","0.004","92.97","0.03","95.28","0.03","95.32","0.03","3338.8","1.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H51 Ag2 Au2 F16 N4 O8.5 P2 S4 -","- C56 H26 Ag2 Au2 F16 N4 O8.5 P2 S4 -","- C112 H52 Ag4 Au4 F32 N8 O17 P4 S8 -","2","1","","Olga Crespo; M. Concepción Gimeno; Antonio Laguna; Fernando J. Lahoz; Carmen Larraz","Unprecedented Luminescent Heteropolynuclear Aggregates with Gold Thiolates as Building Blocks","Inorganic Chemistry","2011","50","","9533","9544","10.1021/ic201245q","","","0.71073","MoKα","","0.0665","0.0594","","","0.1389","0.1423","","","","","","1.104","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4326369","20.373","0.005","14.817","0.004","32.056","0.008","90","","97.785","0.005","90","","9587","4","150","2","150","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C86.25 H58.5 Au4 Cl0.5 Cu2 F33 N4 O P7 S3 -","- C86 H56 Au4 Cl0.5 Cu2 F33 N4 O P7 S3 -","- C344 H224 Au16 Cl2 Cu8 F132 N16 O4 P28 S12 -","4","1","","Olga Crespo; M. Concepción Gimeno; Antonio Laguna; Fernando J. Lahoz; Carmen Larraz","Unprecedented Luminescent Heteropolynuclear Aggregates with Gold Thiolates as Building Blocks","Inorganic Chemistry","2011","50","","9533","9544","10.1021/ic201245q","","","0.6894","synchrotron","","0.1555","0.0919","","","0.1864","0.2107","","","","","","1.107","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326370","12.2002","0.0007","12.273","0.0007","16.2834","0.0009","70.372","0.004","71.803","0.003","63.754","0.003","2020.7","0.2","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C33 H57 B Cl2 F4 Fe Ni O3 P2 S2 -","- C33 H57 B Cl2 F4 Fe Ni O3 P2 S2 -","- C66 H114 B2 Cl4 F8 Fe2 Ni2 O6 P4 S4 -","2","1","","Maria E. Carroll; Bryan E. Barton; Danielle L. Gray; Amanda E. Mack; Thomas B. Rauchfuss","Active-Site Models for the Nickel-Iron Hydrogenases: Effects of Ligands on Reactivity and Catalytic Properties","Inorganic Chemistry","2011","50","","9554","9563","10.1021/ic2012759","","","0.71073","MoKα","","0.0577","0.0354","","","0.0752","0.0842","","","","","","1.036","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326371","11.3688","0.0011","18.8598","0.0019","17.8586","0.0018","90","","95.515","0.001","90","","3811.4","0.7","193","2","193","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 B2 Cl2 F6 Fe Ni O4 P2 S2 -","- C32 H32 B2 Cl2 F6 Fe Ni O4 P2 S2 -","- C128 H128 B8 Cl8 F24 Fe4 Ni4 O16 P8 S8 -","4","1","","Maria E. Carroll; Bryan E. Barton; Danielle L. Gray; Amanda E. Mack; Thomas B. Rauchfuss","Active-Site Models for the Nickel-Iron Hydrogenases: Effects of Ligands on Reactivity and Catalytic Properties","Inorganic Chemistry","2011","50","","9554","9563","10.1021/ic2012759","","","0.71073","MoKα","","0.0519","0.0395","","","0.126","0.1372","","","","","","1.017","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326372","13.0211","0.0006","19.428","0.0008","15.2088","0.0007","90","","102.617","0.002","90","","3754.5","0.3","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H68 Fe2 Ni2 O6 P4 S4 -","- C82 H68 Fe2 Ni2 O6 P4 S4 -","- C164 H136 Fe4 Ni4 O12 P8 S8 -","2","0.5","","Maria E. Carroll; Bryan E. Barton; Danielle L. Gray; Amanda E. Mack; Thomas B. Rauchfuss","Active-Site Models for the Nickel-Iron Hydrogenases: Effects of Ligands on Reactivity and Catalytic Properties","Inorganic Chemistry","2011","50","","9554","9563","10.1021/ic2012759","","","0.71073","MoKα","","0.0438","0.0301","","","0.0686","0.0746","","","","","","1.013","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326373","17.476","0.003","9.2817","0.0016","20.552","0.005","90","","111.534","0.011","90","","3101","1.1","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H32 Ni P2 S2 -","- C37 H32 Ni P2 S2 -","- C148 H128 Ni4 P8 S8 -","4","1","","Maria E. Carroll; Bryan E. Barton; Danielle L. Gray; Amanda E. Mack; Thomas B. Rauchfuss","Active-Site Models for the Nickel-Iron Hydrogenases: Effects of Ligands on Reactivity and Catalytic Properties","Inorganic Chemistry","2011","50","","9554","9563","10.1021/ic2012759","","","0.71073","MoKα","","0.0705","0.0453","","","0.0767","0.0843","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326374","10.7463","0.0004","13.351","0.0005","13.4828","0.0006","76.22","0.003","83.195","0.003","89.252","0.002","1865.29","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H52 Fe I2 Ni P2 S2 -","- C31 H34 Fe I2 Ni P2 S2 -","- C62 H68 Fe2 I4 Ni2 P4 S4 -","2","1","","Maria E. Carroll; Bryan E. Barton; Danielle L. Gray; Amanda E. Mack; Thomas B. Rauchfuss","Active-Site Models for the Nickel-Iron Hydrogenases: Effects of Ligands on Reactivity and Catalytic Properties","Inorganic Chemistry","2011","50","","9554","9563","10.1021/ic2012759","","","1.54178","CuKα","","0.0422","0.0365","","","0.0967","0.1003","","","","","","1.033","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326375","11.073","0.006","26.684","0.015","11.873","0.007","90","","104.451","0.007","90","","3397","3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H106 N Na3 O8 -","- C65 H106 N Na3 O8 -","- C130 H212 N2 Na6 O16 -","2","1","","Jinfeng Zhang; Ai Liu; XiaoBo Pan; Lihui Yao; Lei Wang; Jianguo Fang; Jincai Wu","Multimetallic Synergic Sedation of a Labile Sodium Atrane: Synthesis and Characterization of a Tetranuclear Sodium Atrane Cation Complex","Inorganic Chemistry","2011","50","","9564","9570","10.1021/ic2013123","","","0.71073","MoKα","","0.3677","0.0742","","","0.1663","0.3245","","","","","","0.782","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326376","16.87","0.04","20.35","0.05","21.04","0.05","73.39","0.03","68.25","0.03","87.13","0.03","6416","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H183 Al N2 Na4 O13 -","- C119 H183 Al N2 Na4 O13 -","- C238 H366 Al2 N4 Na8 O26 -","2","1","","Jinfeng Zhang; Ai Liu; XiaoBo Pan; Lihui Yao; Lei Wang; Jianguo Fang; Jincai Wu","Multimetallic Synergic Sedation of a Labile Sodium Atrane: Synthesis and Characterization of a Tetranuclear Sodium Atrane Cation Complex","Inorganic Chemistry","2011","50","","9564","9570","10.1021/ic2013123","","","0.71073","MoKα","","0.294","0.0788","","","0.1361","0.1821","","","","","","0.718","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326377","14.368","0.005","19.641","0.007","16.53","0.006","90","","92.672","0.004","90","","4660","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 Al N O4 -","- C49 H74 Al N O4 -","- C196 H296 Al4 N4 O16 -","4","1","","Jinfeng Zhang; Ai Liu; XiaoBo Pan; Lihui Yao; Lei Wang; Jianguo Fang; Jincai Wu","Multimetallic Synergic Sedation of a Labile Sodium Atrane: Synthesis and Characterization of a Tetranuclear Sodium Atrane Cation Complex","Inorganic Chemistry","2011","50","","9564","9570","10.1021/ic2013123","","","0.71073","MoKα","","0.1708","0.0843","","","0.2224","0.2842","","","","","","1.026","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326378","17.507","0.013","16.057","0.012","22.567","0.017","90","","102.29","0.03","90","","6198","8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H89 Al N Na O6 -","- C60 H89 Al N Na O6 -","- C240 H356 Al4 N4 Na4 O24 -","4","1","","Jinfeng Zhang; Ai Liu; XiaoBo Pan; Lihui Yao; Lei Wang; Jianguo Fang; Jincai Wu","Multimetallic Synergic Sedation of a Labile Sodium Atrane: Synthesis and Characterization of a Tetranuclear Sodium Atrane Cation Complex","Inorganic Chemistry","2011","50","","9564","9570","10.1021/ic2013123","","","0.71073","MoKα","","0.1819","0.07","","","0.1887","0.257","","","","","","0.842","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326379","12.5496","0.0002","17.4025","0.0004","23.317","0.0005","101.966","0.002","91.712","0.002","108.183","0.002","4708.32","0.18","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C2 H45 Ce Cs3 Cu3 Ge2 K4 Na4 O91 W18 -","- C2 H3 Ce Cs2.4995 Cu3 Ge2 K Na2.85 O89 W18 -","- C4 H6 Ce2 Cs4.999 Cu6 Ge4 K2 Na5.7 O178 W36 -","2","1","","Santiago Reinoso; José Ramón Galán-Mascarós; Luis Lezama","New Type of Heterometallic 3d-4f Rhomblike Core in Weakley-Like Polyoxometalates","Inorganic Chemistry","2011","50","","9587","9593","10.1021/ic201331d","","","0.71073","MoKα","","0.0668","0.0462","","","0.133","0.1381","","","","","","1.071","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326380","13.346","0.005","13.361","0.005","25.664","0.01","75.146","0.006","88.619","0.006","68.397","0.006","4100","3","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H63 Ge N7 O64 P2 W17 -","- C15 H45 Ge N6 O64 P2 W17 -","- C30 H90 Ge2 N12 O128 P4 W34 -","2","1","","Kenji Nomiya; Yoshihiro Togashi; Yuhki Kasahara; Shotaro Aoki; Hideaki Seki; Marie Noguchi; Shoko Yoshida","Synthesis and Structure of Dawson Polyoxometalate-Based, Multifunctional, Inorganic-Organic Hybrid Compounds: Organogermyl Complexes with One Terminal Functional Group and Organosilyl Analogues with Two Terminal Functional Groups","Inorganic Chemistry","2011","50","","9606","9619","10.1021/ic201336v","","","0.71073","MoKα","","0.0606","0.0432","","","0.1306","0.1634","","","","","","1.035","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326381","26.3455","0.0019","20.581","0.0015","15.0517","0.0011","90","","90","","90","","8161.3","1","90","","90","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H69 Ge N7 O65 P2 W17 -","- C11 H5 Ge N4 O64 P2 W17 -","- C44 H20 Ge4 N16 O256 P8 W68 -","4","0.5","","Kenji Nomiya; Yoshihiro Togashi; Yuhki Kasahara; Shotaro Aoki; Hideaki Seki; Marie Noguchi; Shoko Yoshida","Synthesis and Structure of Dawson Polyoxometalate-Based, Multifunctional, Inorganic-Organic Hybrid Compounds: Organogermyl Complexes with One Terminal Functional Group and Organosilyl Analogues with Two Terminal Functional Groups","Inorganic Chemistry","2011","50","","9606","9619","10.1021/ic201336v","","","0.71073","MoKα","","0.064","0.0532","","","0.1348","0.1416","","","","","","1.127","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326382","24.0572","0.0015","13.434","0.0008","26.7558","0.0017","90","","107.783","0.001","90","","8233.9","0.9","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H66 N6 O70 P2 Si2 W17 -","- C14 H48 N4 O69 P2 Si2 W17 -","- C56 H192 N16 O276 P8 Si8 W68 -","4","1","","Kenji Nomiya; Yoshihiro Togashi; Yuhki Kasahara; Shotaro Aoki; Hideaki Seki; Marie Noguchi; Shoko Yoshida","Synthesis and Structure of Dawson Polyoxometalate-Based, Multifunctional, Inorganic-Organic Hybrid Compounds: Organogermyl Complexes with One Terminal Functional Group and Organosilyl Analogues with Two Terminal Functional Groups","Inorganic Chemistry","2011","50","","9606","9619","10.1021/ic201336v","","","0.71073","MoKα","","0.0526","0.0447","","","0.1172","0.1251","","","","","","1.134","","","","has coordinates","188741","2020-10-21","18:00:00",""
"4326383","13.284","0.003","25.075","0.005","26.17","0.005","68.08","0.03","88.92","0.03","76.63","0.03","7846","3","90","","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H140 N12 O136 P4 Si4 W34 -","- C26 H76 N7 O131 P4 Si4 W34 -","- C52 H152 N14 O262 P8 Si8 W68 -","2","1","","Kenji Nomiya; Yoshihiro Togashi; Yuhki Kasahara; Shotaro Aoki; Hideaki Seki; Marie Noguchi; Shoko Yoshida","Synthesis and Structure of Dawson Polyoxometalate-Based, Multifunctional, Inorganic-Organic Hybrid Compounds: Organogermyl Complexes with One Terminal Functional Group and Organosilyl Analogues with Two Terminal Functional Groups","Inorganic Chemistry","2011","50","","9606","9619","10.1021/ic201336v","","","0.71073","MoKα","","0.0466","0.0384","","","0.0993","0.1049","","","","","","1.033","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326384","17.351","0.0017","12.9808","0.0013","16.5439","0.0016","90","","96.425","0.002","90","","3702.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H53 N3 O -","- C40.5 H53 N3 O -","- C162 H212 N12 O4 -","4","1","","Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Luis Manuel Frutos; Manuel Temprado; Christopher R. Clough; Christopher C. Cummins; Meaghan E. Germain; Taryn Palluccio; Elena V. Rybak-Akimova; Burjor Captain; Carl D. Hoff","Thermodynamic, Kinetic, and Mechanistic Study of Oxygen Atom Transfer from Mesityl Nitrile Oxide to Phosphines and to a Terminal Metal Phosphido Complex","Inorganic Chemistry","2011","50","","9620","9630","10.1021/ic2013599","","","0.71073","MoKα","","0.1531","0.0746","","","0.2089","0.2708","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326385","10.5721","0.0009","18.0017","0.0015","15.9406","0.0013","90","","94.06","0.002","90","","3026.1","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H47 I N4 O Si3 U -","- C19 H47 I N4 O Si3 U -","- C76 H188 I4 N16 O4 Si12 U4 -","4","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0642","0.0453","","","0.1115","0.122","","","","","","1.054","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326386","13.0925","0.001","14.9116","0.0012","16.0345","0.0013","99.538","0.002","98.431","0.002","115.066","0.002","2712.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H82 I2 N8 Si6 U2 -","- C33.5 H82 I2 N8 Si6 U2 -","- C67 H164 I4 N16 Si12 U4 -","2","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0457","0.0337","","","0.086","0.0919","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326387","9.4693","0.001","10.8245","0.0011","15.0764","0.0015","76.014","0.002","73.693","0.002","78.467","0.002","1424.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H94 I2 N8 Si6 U2 -","- C30 H78 I2 N8 Si6 U2 -","- C30 H78 I2 N8 Si6 U2 -","1","0.5","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0358","0.0332","","","0.0926","0.0943","","","","","","1.09","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326388","15.8302","0.0017","18.477","0.002","20.372","0.002","90","","90","","90","","5958.7","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 Cl5 Li O5 U -","- C20 H40 Cl5 Li O5 U -","- C160 H320 Cl40 Li8 O40 U8 -","8","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.029","0.0214","","","0.0514","0.0552","","","","","","1.047","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326389","12.5678","0.0003","16.6514","0.0003","16.7987","0.0003","90","","95.897","0.002","90","","3496.89","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H61 N5 Si3 U -","- C27 H61 N5 Si3 U -","- C108 H244 N20 Si12 U4 -","4","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0312","0.0203","","","0.0452","0.049","","","","","","1.062","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326390","16.5214","0.0004","11.3622","0.0002","17.9237","0.0004","90","","91.742","0.002","90","","3363.07","0.13","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H57 N5 Si5 U -","- C21 H57 N5 Si5 U -","- C84 H228 N20 Si20 U4 -","4","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","1.5418","CuKα","","0.0711","0.0609","","","0.1401","0.1447","","","","","","1.094","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326391","15.7341","0.0007","19.7519","0.0009","18.2383","0.0008","90","","92.679","0.002","90","","5661.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H83 B N4 O2 Si3 U -","- C54 H83 B N4 O2 Si3 U -","- C216 H332 B4 N16 O8 Si12 U4 -","4","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0467","0.0401","","","0.1003","0.1032","","","","","","0.991","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326392","13.3052","0.0011","18.1162","0.0015","20.5327","0.0016","69.659","0.002","88.863","0.002","83.912","0.002","4613.6","0.7","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H106 B Cl F24 N8 O2 Si6 U2 -","- C70 H106 B Cl F24 N8 O2 Si6 U2 -","- C140 H212 B2 Cl2 F48 N16 O4 Si12 U4 -","2","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0903","0.0555","","","0.136","0.1583","","","","","","1.03","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326393","21.8024","0.0008","9.8191","0.0004","16.2885","0.0006","90","","90","","90","","3487","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H47 Mn N4 O6 Si3 U -","- C24 H47 Mn N4 O6 Si3 U -","- C96 H188 Mn4 N16 O24 Si12 U4 -","4","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0186","0.0174","","","0.0403","0.0406","","","","","","1.014","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326394","19.5466","0.0006","9.5864","0.0003","19.8681","0.0006","90","","106.56","","90","","3568.5","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H49 Mn N4 O7 Si3 U -","- C24 H49 Mn N4 O7 Si3 U -","- C96 H196 Mn4 N16 O28 Si12 U4 -","4","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0191","0.0168","","","0.0422","0.0429","","","","","","1.083","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326395","11.5133","0.0003","18.8947","0.0005","14.7578","0.0004","90","","98.878","0.002","90","","3171.95","0.15","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 Mn2 N8 O10 Si6 U2 -","- C40 H78 Mn2 N8 O10 Si6 U2 -","- C80 H156 Mn4 N16 O20 Si12 U4 -","2","0.5","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0367","0.0225","","","0.0477","0.0527","","","","","","1.052","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326396","12.508","0.002","12.523","0.002","13.281","0.002","93.776","0.003","104.62","0.003","101.686","0.003","1956.1","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H57 Mn N4 O5 Si3 U -","- C29 H57 Mn N4 O5 Si3 U -","- C58 H114 Mn2 N8 O10 Si6 U2 -","2","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0786","0.0668","","","0.1752","0.1836","","","","","","1.037","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326397","16.2563","0.0004","16.2563","0.0004","15.1412","0.0008","90","","90","","120","","3465.2","0.2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H78 N8 O Si6 U2 -","- C30 H78 N8 O Si6 U2 -","- C90 H234 N24 O3 Si18 U6 -","3","0.166667","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0149","0.0144","","","0.0416","0.042","","","","","","1.144","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326398","13.1761","0.0018","17.822","0.003","20.054","0.003","98.52","0.002","102.891","0.002","108.22","0.002","4237.9","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H95 B F15 N2 O4 Si2 U -","- C88.004 H94 B F15 N2 O4 Si2 U -","- C176.008 H188 B2 F30 N4 O8 Si4 U2 -","2","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Silylation of the Uranyl Ion Using B(C6F5)3-Activated Et3SiH","Inorganic Chemistry","2011","50","","9642","9649","10.1021/ic201385h","","","0.71073","MoKα","","0.0938","0.047","","","0.1039","0.1215","","","","","","0.959","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326399","12.909","0.004","16.329","0.005","19.01","0.006","78.273","0.005","87.803","0.005","71.991","0.006","3730","2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H79 B F15 N2 O4 Si U -","- C82 H79 B F15 N2 O4 Si U -","- C164 H158 B2 F30 N4 O8 Si2 U2 -","2","1","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Silylation of the Uranyl Ion Using B(C6F5)3-Activated Et3SiH","Inorganic Chemistry","2011","50","","9642","9649","10.1021/ic201385h","","","0.71073","MoKα","","0.121","0.0783","","","0.137","0.1507","","","","","","1.126","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326400","12.6522","0.0008","17.5193","0.001","15.3466","0.0009","90","","97.991","0.002","90","","3368.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H94 N2 O4 Si2 U -","- C70 H94 N2 O4 Si2 U -","- C140 H188 N4 O8 Si4 U2 -","2","0.5","","David D. Schnaars; Guang Wu; Trevor W. Hayton","Silylation of the Uranyl Ion Using B(C6F5)3-Activated Et3SiH","Inorganic Chemistry","2011","50","","9642","9649","10.1021/ic201385h","","","0.71073","MoKα","","0.0509","0.0269","","","0.0661","0.0703","","","","","","0.95","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326401","10.594","0.003","12.225","0.004","14.945","0.004","83.589","0.005","83.133","0.007","86.604","0.006","1907.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(phen)3(CH3NH3)(Sn2Se6)","(phen)3(CH3NH3)(Sn2Se6)","","- C76 H72 N16 Se6 Sn2 -","- C76 H72 N16 Se6 Sn2 -","- C76 H72 N16 Se6 Sn2 -","1","0.5","","Guang-Ning Liu; Guo-Cong Guo; Ming-Jian Zhang; Jin-Shuang Guo; Hui-Yi Zeng; Jin-Shun Huang","Different Effects of a Cotemplate and [(Transition-Metal)(1,10-Phenanthroline)m]2+ (m= 1-3) Complex Cations on the Self-assembly of a Series of Hybrid Selenidostannates Showing Combined Optical Properties of Organic and Inorganic Components","Inorganic Chemistry","2011","50","","9660","9669","10.1021/ic201413h","","","0.71073","MoKα","","0.0457","0.0377","","","0.0919","0.0962","","","","","","1.002","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326402","11.061","0.005","10.061","0.004","25.207","0.01","90","","90.081","0.008","90","","2805","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Mn2 N8 O2 Se6 Sn2 -","- C48 H36 Mn2 N8 O2 Se6 Sn2 -","- C96 H72 Mn4 N16 O4 Se12 Sn4 -","2","0.5","","Guang-Ning Liu; Guo-Cong Guo; Ming-Jian Zhang; Jin-Shuang Guo; Hui-Yi Zeng; Jin-Shun Huang","Different Effects of a Cotemplate and [(Transition-Metal)(1,10-Phenanthroline)m]2+ (m= 1-3) Complex Cations on the Self-assembly of a Series of Hybrid Selenidostannates Showing Combined Optical Properties of Organic and Inorganic Components","Inorganic Chemistry","2011","50","","9660","9669","10.1021/ic201413h","","","0.71073","MoKα","","0.0486","0.0436","","","0.132","0.1382","","","","","","1.022","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4326403","26.192","0.003","11.2481","0.0011","17.8426","0.0016","90","","98.816","0.007","90","","5194.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 Fe2 N8 Se6 Sn2 -","- C48 H32 Fe2 N8 Se6 Sn2 -","- C192 H128 Fe8 N32 Se24 Sn8 -","4","0.5","","Guang-Ning Liu; Guo-Cong Guo; Ming-Jian Zhang; Jin-Shuang Guo; Hui-Yi Zeng; Jin-Shun Huang","Different Effects of a Cotemplate and [(Transition-Metal)(1,10-Phenanthroline)m]2+ (m= 1-3) Complex Cations on the Self-assembly of a Series of Hybrid Selenidostannates Showing Combined Optical Properties of Organic and Inorganic Components","Inorganic Chemistry","2011","50","","9660","9669","10.1021/ic201413h","","","0.71073","MoKα","","0.0419","0.0356","","","0.0935","0.0996","","","","","","1.022","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4326404","9.721","0.004","10.257","0.004","10.346","0.005","118.243","0.014","112.53","0.03","95.75","0.02","787.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Mn(phen)2(μ4-Sn2Se6)]n","[Mn(phen)2(μ4-Sn2Se6)]n","","- C24 H16 Mn2 N4 Se6 Sn2 -","- C24 H16 Mn2 N4 Se6 Sn2 -","- C24 H16 Mn2 N4 Se6 Sn2 -","1","0.5","","Guang-Ning Liu; Guo-Cong Guo; Ming-Jian Zhang; Jin-Shuang Guo; Hui-Yi Zeng; Jin-Shun Huang","Different Effects of a Cotemplate and [(Transition-Metal)(1,10-Phenanthroline)m]2+ (m= 1-3) Complex Cations on the Self-assembly of a Series of Hybrid Selenidostannates Showing Combined Optical Properties of Organic and Inorganic Components","Inorganic Chemistry","2011","50","","9660","9669","10.1021/ic201413h","","","0.71073","MoKα","","0.0393","0.0336","","","0.0796","0.0833","","","","","","1","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326405","16.639","0.004","12.961","0.003","14.088","0.004","90","","117.911","0.013","90","","2684.8","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Mn N4 Se5 Sn2 -","- C24 H16 Mn N4 Se5 Sn2 -","- C96 H64 Mn4 N16 Se20 Sn8 -","4","0.5","","Guang-Ning Liu; Guo-Cong Guo; Ming-Jian Zhang; Jin-Shuang Guo; Hui-Yi Zeng; Jin-Shun Huang","Different Effects of a Cotemplate and [(Transition-Metal)(1,10-Phenanthroline)m]2+ (m= 1-3) Complex Cations on the Self-assembly of a Series of Hybrid Selenidostannates Showing Combined Optical Properties of Organic and Inorganic Components","Inorganic Chemistry","2011","50","","9660","9669","10.1021/ic201413h","","","0.71073","MoKα","","0.0468","0.0393","","","0.0932","0.0952","","","","","","0.997","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4326406","13.9483","0.0003","13.9483","0.0003","75.476","0.003","90","","90","","120","","12716.9","0.6","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","C36 H26.50 Fe N6 O1.25 Se7 Sn3","","- C36 H26.5 Fe N6 O1.25 Se7 Sn3 -","- C36 H24 Fe N6 O1.25 Se7 Sn3 -","- C432 H288 Fe12 N72 O15 Se84 Sn36 -","12","0.333333","","Guang-Ning Liu; Guo-Cong Guo; Ming-Jian Zhang; Jin-Shuang Guo; Hui-Yi Zeng; Jin-Shun Huang","Different Effects of a Cotemplate and [(Transition-Metal)(1,10-Phenanthroline)m]2+ (m= 1-3) Complex Cations on the Self-assembly of a Series of Hybrid Selenidostannates Showing Combined Optical Properties of Organic and Inorganic Components","Inorganic Chemistry","2011","50","","9660","9669","10.1021/ic201413h","","","0.71073","MoKα","","0.042","0.0364","","","0.0877","0.0894","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326407","8.042","0.003","33.383","0.01","13.643","0.004","90","","92.741","0.005","90","","3658","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 Co N5 O6 -","- C15 H22 Co N5 O6 -","- C120 H176 Co8 N40 O48 -","8","2","","Sarvendra Kumar; B. D. Gupta","Intriguing Two-Dimensional Assembly of Cobaloxime with a [Zn2(OOCR)4] Center","Inorganic Chemistry","2011","50","","9207","9209","10.1021/ic201435j","","","0.71073","MoKα","","0.0775","0.056","","","0.139","0.1558","","","","","","1.037","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326408","14.54","0.002","14.54","0.002","49.916","0.012","90","","90","","90","","10553","3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C21 H25 Co N6 O8 Zn -","- C21 H25 Co N6 O8 Zn -","- C336 H400 Co16 N96 O128 Zn16 -","16","0.5","","Sarvendra Kumar; B. D. Gupta","Intriguing Two-Dimensional Assembly of Cobaloxime with a [Zn2(OOCR)4] Center","Inorganic Chemistry","2011","50","","9207","9209","10.1021/ic201435j","","","0.71073","MoKα","","0.051","0.0437","","","0.1089","0.1152","","","","","","1.08","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326409","32.0634","0.0014","32.0634","0.0014","17.7798","0.0008","90","","90","","90","","18278.7","1.4","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","Undecarubidium Heptaneptunium Tridecakis(tetrathioPhosphate)","","","- Np7 P13 Rb11 S52 -","- Np7 P13 Rb11 S52 -","- Np56 P104 Rb88 S416 -","8","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium","Inorganic Chemistry","2011","50","","9688","9695","10.1021/ic201493w","","","0.71073","MoKα","","0.0391","0.0326","","","0.0735","0.0753","","","","","","1.42","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326410","10.8525","0.0006","10.8525","0.0006","19.2486","0.0011","90","","90","","90","","2267","0.2","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","Neptunium orthothiophosphate","","","- Np P S4 -","- Np P S4 -","- Np16 P16 S64 -","16","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium","Inorganic Chemistry","2011","50","","9688","9695","10.1021/ic201493w","","","0.71073","MoKα","","0.0243","0.0219","","","0.0736","0.0822","","","","","","2.527","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326411","12.832","0.003","12.832","0.003","9.817","0.002","90","","90","","90","","1616.5","0.6","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","Neptunium di-mue-thiotetrathiodiphosphate","","","- Np P4 S12 -","- Np P4 S12 -","- Np4 P16 S48 -","4","0.25","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium","Inorganic Chemistry","2011","50","","9688","9695","10.1021/ic201493w","","","0.71073","MoKα","","0.033","0.0237","","","0.0407","0.0425","","","","","","1.248","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326412","31.937","0.003","31.937","0.003","17.2691","0.0015","90","","90","","90","","17614","3","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","Undecapotassium Heptaneptunium Tridecakis(tetrathioPhosphate)","","","- K11 Np7 P13 S52 -","- K11.001 Np7 P13 S52 -","- K88.008 Np56 P104 S416 -","8","0.5","","Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium","Inorganic Chemistry","2011","50","","9688","9695","10.1021/ic201493w","","","0.71073","MoKα","","0.0392","0.0376","","","0.0862","0.0864","","","","","","2.528","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326413","11.8384","0.0011","12.558","0.0011","23.747","0.002","83.605","0.001","88.197","0.001","62.479","0.001","3110.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl12 O42 Th6 -","- C24 H24 Cl12 O42 Th6 -","- C48 H48 Cl24 O84 Th12 -","2","1","","Karah E. Knope; Richard E. Wilson; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV) Molecular Clusters with a Hexanuclear Th Core","Inorganic Chemistry","2011","50","","9696","9704","10.1021/ic2014946","","","0.71073","MoKα","","0.1139","0.0516","","","0.0964","0.1167","","","","","","0.95","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326414","15.649","0.002","18.162","0.003","14.358","0.002","90","","90","","90","","4080.8","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H28 O38 Th6 -","- C12 H12 O38 Th6 -","- C48 H48 O152 Th24 -","4","0.5","","Karah E. Knope; Richard E. Wilson; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV) Molecular Clusters with a Hexanuclear Th Core","Inorganic Chemistry","2011","50","","9696","9704","10.1021/ic2014946","","","0.71073","MoKα","","0.0892","0.0601","","","0.1484","0.1591","","","","","","1.079","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326415","16.7506","0.0019","16.7506","0.0019","19.078","0.005","90","","90","","120","","4635.8","1.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H52 O38 Th6 -","- C24 H48 O38 Th6 -","- C72 H144 O114 Th18 -","3","0.166667","","Karah E. Knope; Richard E. Wilson; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV) Molecular Clusters with a Hexanuclear Th Core","Inorganic Chemistry","2011","50","","9696","9704","10.1021/ic2014946","","","0.71073","MoKα","","0.0656","0.04","","","0.0766","0.0831","","","","","","0.956","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326416","9.3234","0.0008","9.4773","0.0009","11.4313","0.001","69.114","0.001","83.773","0.002","66.613","0.001","865.53","0.13","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Dy2 N8 O16 -","- C28 H30 Dy2 N8 O16 -","- C28 H30 Dy2 N8 O16 -","1","0.5","","Yun-Nan Guo; Xiao-Hua Chen; Shufang Xue; Jinkui Tang","Modulating Magnetic Dynamics of Three Dy2 Complexes through Keto-Enol Tautomerism of the o-Vanillin Picolinoylhydrazone Ligand","Inorganic Chemistry","2011","50","","9705","9713","10.1021/ic2014978","","","0.71073","MoKα","","0.0487","0.038","","","0.0861","0.0917","","","","","","1.076","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326417","10.335","0.002","16.368","0.003","27.235","0.005","90","","90","","90","","4607.2","1.5","191","2","191","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Dy2 N9 O24 -","- C30 H23 Dy2 N9 O24 -","- C120 H92 Dy8 N36 O96 -","4","1","","Yun-Nan Guo; Xiao-Hua Chen; Shufang Xue; Jinkui Tang","Modulating Magnetic Dynamics of Three Dy2 Complexes through Keto-Enol Tautomerism of the o-Vanillin Picolinoylhydrazone Ligand","Inorganic Chemistry","2011","50","","9705","9713","10.1021/ic2014978","","","0.71073","MoKα","","0.0567","0.0443","","","0.0972","0.1038","","","","","","1.011","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326418","8.5593","0.0004","15.549","0.0008","15.5897","0.0008","85.766","0.001","83.705","0.001","82.639","0.001","2041.54","0.18","191","2","191","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H44 Cl3 Dy2 N6 Na O17 -","- C28 H24 Cl3 Dy2 N6 Na O17 -","- C56 H48 Cl6 Dy4 N12 Na2 O34 -","2","1","","Yun-Nan Guo; Xiao-Hua Chen; Shufang Xue; Jinkui Tang","Modulating Magnetic Dynamics of Three Dy2 Complexes through Keto-Enol Tautomerism of the o-Vanillin Picolinoylhydrazone Ligand","Inorganic Chemistry","2011","50","","9705","9713","10.1021/ic2014978","","","0.71073","MoKα","","0.0521","0.0404","","","0.1009","0.1079","","","","","","1.052","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326419","11.1641","0.001","12.7107","0.0011","30.885","0.003","90","","99.31","0.005","90","","4325","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Cl2 Co2 N4 O4 -","- C46 H54 Cl2 Co2 N4 O4 -","- C184 H216 Cl8 Co8 N16 O16 -","4","1","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.2062","0.077","","","0.1416","0.1882","","","","","","0.98","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326420","11.7382","0.0007","20.1542","0.0013","28.6343","0.0019","90","","90","","90","","6774.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H40 Al Li N4 O2 -","- C38 H40 Al Li N4 O2 -","- C304 H320 Al8 Li8 N32 O16 -","8","1","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.1143","0.0554","","","0.116","0.1356","","","","","","1.004","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326421","19.9991","0.0006","17.6024","0.0005","22.648","0.0006","90","","90","","90","","7972.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H42 Al Li N6 O -","- C49 H42 Al Li N6 O -","- C392 H336 Al8 Li8 N48 O8 -","8","1","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.118","0.0543","","","0.1065","0.1248","","","","","","1.01","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326422","15.5326","0.0007","15.5326","0.0007","13.9967","0.001","90","","90","","90","","3376.9","0.3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C80 H84 Al Li N8 O5 -","- C76 H76 Al Li N8 O4 -","- C152 H152 Al2 Li2 N16 O8 -","2","0.25","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.0619","0.0465","","","0.1049","0.1112","","","","","","1.032","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326423","12.4451","0.0004","16.3854","0.0005","17.1219","0.0006","90","","99.995","0.002","90","","3438.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H54 Al Li N6 O -","- C31 H54 Al Li N6 O -","- C124 H216 Al4 Li4 N24 O4 -","4","1","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.0573","0.0471","","","0.1207","0.1272","","","","","","1.054","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326424","17.3198","0.0011","8.5879","0.0004","24.2004","0.0012","90","","90.206","0.004","90","","3599.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H35 Al N6 Zn -","- C45 H35 Al N6 Zn -","- C180 H140 Al4 N24 Zn4 -","4","0.5","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.0629","0.0589","","","0.1372","0.1388","","","","","","1.283","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326425","17.0633","0.001","15.1262","0.0009","18.7538","0.0012","90","","100.578","0.003","90","","4758.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H62 Br2 Mg2 N4 O5 -","- C50 H62 Br2 Mg2 N4 O5 -","- C200 H248 Br8 Mg8 N16 O20 -","4","1","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.0589","0.0426","","","0.1014","0.1091","","","","","","1.03","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326426","14.345","0.002","8.3232","0.0013","8.8793","0.0014","90","","120.694","0.002","90","","911.6","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","M. Sánchez-Andújar; S. Presedo; S. Yáñez-Vilar; S. Castro-García; J. Shamir; M. A. Señarís-Rodríguez","Correction to Characterization of the Order-Disorder Dielectric Transition in the Hybrid Organic-Inorganic Perovskite-like Formate Mn(HCOO)3[(CH3)2NH2]","Inorganic Chemistry","2011","50","","9734","9734","10.1021/ic201638t","","","0.71073","MoKα","","0.0483","0.037","","","0.0837","0.0901","","","","","","1.018","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326427","8.3371","0.0008","8.3371","0.0008","22.909","0.005","90","","90","","120","","1379","0.4","295","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","M. Sánchez-Andújar; S. Presedo; S. Yáñez-Vilar; S. Castro-García; J. Shamir; M. A. Señarís-Rodríguez","Correction to Characterization of the Order-Disorder Dielectric Transition in the Hybrid Organic-Inorganic Perovskite-like Formate Mn(HCOO)3[(CH3)2NH2]","Inorganic Chemistry","2011","50","","9734","9734","10.1021/ic201638t","","","0.71073","MoKα","","0.0347","0.0288","","","0.0798","0.0838","","","","","","1.188","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326428","16.4659","0.0012","11.9297","0.0009","17.6594","0.0013","90","","95.571","0.001","90","","3452.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 K N3 Ni O2 S2 -","- C13 H20 K N3 Ni O2 S2 -","- C104 H160 K8 N24 Ni8 O16 S16 -","8","2","","Eric M. Gale; Andrew C. Simmonett; Joshua Telser; Henry F. Schaefer; Todd C. Harrop","Toward Functional Ni-SOD Biomimetics: Achieving a Structural/Electronic Correlation with Redox Dynamics","Inorganic Chemistry","2011","50","","9216","9218","10.1021/ic201822f","","","0.71073","MoKα","","0.0635","0.0427","","","0.1015","0.1101","","","","","","1.057","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4326429","10.985","0.0006","11.9682","0.0006","12.4322","0.0007","73.87","0.001","73.077","0.001","75.225","0.001","1474.92","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H36 N6 Ni2 O3 S4 -","- C25 H36 N6 Ni2 O3 S4 -","- C50 H72 N12 Ni4 O6 S8 -","2","1","","Eric M. Gale; Andrew C. Simmonett; Joshua Telser; Henry F. Schaefer; Todd C. Harrop","Toward Functional Ni-SOD Biomimetics: Achieving a Structural/Electronic Correlation with Redox Dynamics","Inorganic Chemistry","2011","50","","9216","9218","10.1021/ic201822f","","","0.71073","MoKα","","0.0333","0.0291","","","0.0724","0.0745","","","","","","1.055","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326430","8.5334","0.0011","17.997","0.002","20.321","0.003","90","","90","","90","","3120.8","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 N5 Ni -","- C33 H43 N5 Ni -","- C132 H172 N20 Ni4 -","4","1","","Di Zhu; Indira Thapa; Ilia Korobkov; Sandro Gambarotta; Peter H. M. Budzelaar","Redox-Active Ligands and Organic Radical Chemistry","Inorganic Chemistry","2011","50","","9879","9887","10.1021/ic2002145","","","0.71073","MoKα","","0.1243","0.0553","","","0.1082","0.1361","","","","","","0.991","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326431","15.268","0.008","14.92","0.008","14.715","0.008","90","","112.557","0.007","90","","3096","3","202","2","202","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N3 Ni -","- C34 H46 N3 Ni -","- C136 H184 N12 Ni4 -","4","1","","Di Zhu; Indira Thapa; Ilia Korobkov; Sandro Gambarotta; Peter H. M. Budzelaar","Redox-Active Ligands and Organic Radical Chemistry","Inorganic Chemistry","2011","50","","9879","9887","10.1021/ic2002145","","","0.71073","MoKα","","0.12","0.0561","","","0.1328","0.1634","","","","","","1.04","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326432","26.34","0.003","13.5083","0.0014","24.279","0.003","90","","109.447","0.002","90","","8145.8","1.6","202","2","202","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H126 N6 Ni2 O5 -","- C86 H126 N6 Ni2 O5 -","- C344 H504 N24 Ni8 O20 -","4","0.5","","Di Zhu; Indira Thapa; Ilia Korobkov; Sandro Gambarotta; Peter H. M. Budzelaar","Redox-Active Ligands and Organic Radical Chemistry","Inorganic Chemistry","2011","50","","9879","9887","10.1021/ic2002145","","","0.71073","MoKα","","0.1351","0.059","","","0.1336","0.1683","","","","","","1.028","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326433","12.8613","0.0004","13.7235","0.0005","24.4278","0.0009","90","","91.856","0.002","90","","4309.3","0.3","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 N4 O U -","- C48 H64 N4 O U -","- C192 H256 N16 O4 U4 -","4","1","","Steven J. Kraft; Ursula J. Williams; Scott R. Daly; Eric J. Schelter; Stosh A. Kozimor; Kevin S. Boland; James M. Kikkawa; William P. Forrest; Christin N. Christensen; Daniel E. Schwarz; Phillip E. Fanwick; David L. Clark; Steve D. Conradson; Suzanne C. Bart","Synthesis, Characterization, and Multielectron Reduction Chemistry of Uranium Supported by Redox-Active α-Diimine Ligands","Inorganic Chemistry","2011","50","","9838","9848","10.1021/ic2002805","","","1.54184","CU-Kα","","0.044","0.035","","","0.095","0.101","","","","","","1.127","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326434","21.4969","0.0008","17.3612","0.0005","8.1284","0.0003","90","","98.258","0.003","90","","3002.16","0.18","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 U -","- C32 H38 N2 U -","- C128 H152 N8 U4 -","4","1","","Steven J. Kraft; Ursula J. Williams; Scott R. Daly; Eric J. Schelter; Stosh A. Kozimor; Kevin S. Boland; James M. Kikkawa; William P. Forrest; Christin N. Christensen; Daniel E. Schwarz; Phillip E. Fanwick; David L. Clark; Steve D. Conradson; Suzanne C. Bart","Synthesis, Characterization, and Multielectron Reduction Chemistry of Uranium Supported by Redox-Active α-Diimine Ligands","Inorganic Chemistry","2011","50","","9838","9848","10.1021/ic2002805","","","1.54184","CU-Kα","","0.047","0.047","","","0.125","0.126","","","","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326435","13.4755","0.0015","11.0385","0.0013","28.42","0.004","90","","94.674","0.009","90","","4213.4","0.9","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H59 I N4 U -","- C45 H59 I N4 U -","- C180 H236 I4 N16 U4 -","4","1","","Steven J. Kraft; Ursula J. Williams; Scott R. Daly; Eric J. Schelter; Stosh A. Kozimor; Kevin S. Boland; James M. Kikkawa; William P. Forrest; Christin N. Christensen; Daniel E. Schwarz; Phillip E. Fanwick; David L. Clark; Steve D. Conradson; Suzanne C. Bart","Synthesis, Characterization, and Multielectron Reduction Chemistry of Uranium Supported by Redox-Active α-Diimine Ligands","Inorganic Chemistry","2011","50","","9838","9848","10.1021/ic2002805","","","1.54184","CU-Kα","","0.096","0.068","","","0.17","0.192","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326436","9.6208","0.0006","10.5429","0.0006","12.3563","0.0008","110.8","0.0008","100.841","0.0008","100.823","0.0008","1105.61","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N4 -","- C30 H24 N4 -","- C60 H48 N8 -","2","1","","Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks","Redox-Active Bridging Ligands Based on Indigo Diimine (""Nindigo"") Derivatives","Inorganic Chemistry","2011","50","","9826","9837","10.1021/ic200388y","","","0.71073","MoKα","","0.0571","0.0394","","","0.0947","0.105","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326437","14.555","0.003","7.0908","0.0012","13.413","0.003","90","","102.241","0.008","90","","1352.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 -","- C34 H32 N4 -","- C68 H64 N8 -","2","0.5","","Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks","Redox-Active Bridging Ligands Based on Indigo Diimine (""Nindigo"") Derivatives","Inorganic Chemistry","2011","50","","9826","9837","10.1021/ic200388y","","","0.71073","MoKα","","0.1202","0.0495","","","0.0942","0.1161","","","","","","1.032","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326438","6.6748","0.0009","8.7859","0.0011","17.067","0.003","90","","100.662","0.005","90","","983.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N4 -","- C24 H28 N4 -","- C48 H56 N8 -","2","0.5","","Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks","Redox-Active Bridging Ligands Based on Indigo Diimine (""Nindigo"") Derivatives","Inorganic Chemistry","2011","50","","9826","9837","10.1021/ic200388y","","","0.71073","MoKα","","0.0625","0.0385","","","0.082","0.0941","","","","","","1.057","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326439","8.5038","0.0003","22.0912","0.0007","11.1934","0.0004","90","","91.511","0.001","90","","2102.05","0.12","90","0.1","90","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C112 H72 N16 -","4","1","","Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks","Redox-Active Bridging Ligands Based on Indigo Diimine (""Nindigo"") Derivatives","Inorganic Chemistry","2011","50","","9826","9837","10.1021/ic200388y","","","0.71073","MoKα","","0.08","0.0471","","","0.101","0.1143","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326440","11.2026","0.001","13.2615","0.0012","13.8826","0.0012","90.508","0.005","92.453","0.005","92.795","0.005","2058","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H31 F12 N4 O4 Pd2 -","- C43 H31 F12 N4 O4 Pd2 -","- C86 H62 F24 N8 O8 Pd4 -","2","1","","Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks","Redox-Active Bridging Ligands Based on Indigo Diimine (""Nindigo"") Derivatives","Inorganic Chemistry","2011","50","","9826","9837","10.1021/ic200388y","","","0.71073","MoKα","","0.0734","0.0394","","","0.0852","0.1005","","","","","","1.055","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326441","5.5243","0.0004","11.0622","0.0008","16.4452","0.0012","97.128","0.004","96.593","0.004","102.633","0.004","962.56","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 F12 N4 O6 Pd2 -","- C40 H24 F12 N4 O6 Pd2 -","- C40 H24 F12 N4 O6 Pd2 -","1","0.5","","Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks","Redox-Active Bridging Ligands Based on Indigo Diimine (""Nindigo"") Derivatives","Inorganic Chemistry","2011","50","","9826","9837","10.1021/ic200388y","","","0.71073","MoKα","","0.0661","0.0414","","","0.0779","0.0905","","","","","","1.093","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326442","12.8394","0.0018","12.3831","0.0014","23.962","0.003","90","","93.044","0.005","90","","3804.4","0.8","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C34 H28 F12 N4 O4 Pd2 -","- C34 H28 F12 N4 O4 Pd2 -","- C136 H112 F48 N16 O16 Pd8 -","4","1","","Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks","Redox-Active Bridging Ligands Based on Indigo Diimine (""Nindigo"") Derivatives","Inorganic Chemistry","2011","50","","9826","9837","10.1021/ic200388y","","","0.71073","MoKα","","0.2237","0.1577","","","0.3691","0.3958","","","","","","1.076","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326443","12.0116","0.0005","12.818","0.0004","13.9589","0.0006","112.866","0.001","98.231","0.001","107.377","0.001","1805.93","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H35 F6 N4 O2.5 Pd -","- C40.5 H35 F6 N4 O2.5 Pd -","- C81 H70 F12 N8 O5 Pd2 -","2","1","","Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks","Redox-Active Bridging Ligands Based on Indigo Diimine (""Nindigo"") Derivatives","Inorganic Chemistry","2011","50","","9826","9837","10.1021/ic200388y","","","0.71073","MoKα","","0.052","0.0362","","","0.0773","0.0845","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326444","12.4188","0.0004","13.3663","0.0004","13.528","0.0004","66.8664","0.0003","78.7331","0.0004","83.0717","0.0004","2022.8","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 F6 N4 O2 Pd -","- C45 H44 F6 N4 O2 Pd -","- C90 H88 F12 N8 O4 Pd2 -","2","1","","Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks","Redox-Active Bridging Ligands Based on Indigo Diimine (""Nindigo"") Derivatives","Inorganic Chemistry","2011","50","","9826","9837","10.1021/ic200388y","","","0.71073","MoKα","","0.0335","0.0286","","","0.0683","0.0711","","","","","","1.037","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326445","10.5855","0.0004","16.8551","0.0005","17.7704","0.0004","90","","104.576","0.003","90","","3068.54","0.17","100.1","","100.1","","","","","","","","","7","P 1 21 1","P 2yb","4","[(2-(diphenylphosphine)thiaphenolato)(m-methylphenylethane -1,2-diylbis(thio-2,1-phenylene)diphenylphosphine)ruthenium(II)] hexafluorophosphate","","","- C64.5 H52 Cl3 F6 P4 Ru S3 -","- C64.5 H52 Cl3 F6 P4 Ru S3 -","- C129 H104 Cl6 F12 P8 Ru2 S6 -","2","1","","Kagna Ouch; Mark S. Mashuta; Craig A. Grapperhaus","Metal-Stabilized Thiyl Radicals as Scaffolds for Reversible Alkene Addition via C-S Bond Formation/Cleavage","Inorganic Chemistry","2011","50","","9904","9914","10.1021/ic200416y","","","0.7107","MoKα","","0.0563","0.0438","","","0.1042","0.1136","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326446","10.5684","0.0008","12.4018","0.0009","12.9434","0.0006","88.536","0.005","85.552","0.005","74.111","0.006","1626.71","0.19","100.1","","100.1","","","","","","","","","7","P 1","P 1","1","[(2-(diphenylphosphine)thiaphenolato)(p-methylphenylethane- 1,2-diylbis(thio-2,1-phenylene)diphenylphosphine)ruthenium(II)] hexafluorophosphate","","","- C75 H62 Cl2 F6 P4 Ru S3 -","- C75 H62 Cl2 F6 P4 Ru S3 -","- C75 H62 Cl2 F6 P4 Ru S3 -","1","1","","Kagna Ouch; Mark S. Mashuta; Craig A. Grapperhaus","Metal-Stabilized Thiyl Radicals as Scaffolds for Reversible Alkene Addition via C-S Bond Formation/Cleavage","Inorganic Chemistry","2011","50","","9904","9914","10.1021/ic200416y","","","0.7107","MoKα","","0.1109","0.0807","","","0.1399","0.1536","","","","","","1.104","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326447","9.778","0.002","10.863","0.002","22.465","0.003","87.49","0.03","87.66","0.03","88.64","0.03","2381.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H49 Cl6 N2 P2 Rh Si -","- C45 H47 Cl6 N2 P2 Rh Si -","- C90 H94 Cl12 N4 P4 Rh2 Si2 -","2","1","","Vincenzo Passarelli; Franco Benetollo","Reactivity of Novel N,N'-Diphosphino-Silanediamine-Based Rhodium(I) Derivatives","Inorganic Chemistry","2011","50","","9958","9967","10.1021/ic2004408","","","0.71073","MoKα","","0.0768","0.0638","","","0.1465","0.1574","","","","","","1.252","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326448","8.7852","0.0001","9.6094","0.0001","16.7847","0.0003","90","","98.571","0.001","90","","1401.15","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H16 Na2 O16 P2 V -","- H16 Na2 O16 P2 V -","- H64 Na8 O64 P8 V4 -","4","1","","Diego Solis-Ibarra; Jared S. Silvia; Vojtech Jancik; Christopher C. Cummins","Facile Synthesis of Zero-, One-, and Two-Dimensional Vanadyl Pyrophosphates","Inorganic Chemistry","2011","50","","9980","9984","10.1021/ic200510y","","","1.54178","CuKα","","0.0366","0.0365","","","0.0907","0.0908","","","","","","1.228","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326449","18.3531","0.0004","14.0324","0.0003","11.9795","0.0003","90","","130.007","0.001","90","","2363.14","0.1","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- H19 Li8 O41.5 P8 V4 -","- H19.0044 Li8 O41.5022 P8 V4 -","- H38.0088 Li16 O83.0044 P16 V8 -","2","0.25","","Diego Solis-Ibarra; Jared S. Silvia; Vojtech Jancik; Christopher C. Cummins","Facile Synthesis of Zero-, One-, and Two-Dimensional Vanadyl Pyrophosphates","Inorganic Chemistry","2011","50","","9980","9984","10.1021/ic200510y","","","1.54178","CuKα","","0.072","0.0674","","","0.1772","0.1802","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326450","27.221","0.0007","18.1835","0.0005","22.9469","0.0007","90","","118.371","0.001","90","","9993.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H113 B4 I2 N31 U2 -","- C86 H113 B4 I2 N31 U2 -","- C344 H452 B16 I8 N124 U8 -","4","0.5","","Maria A. Antunes; Laura C. J. Pereira; Isabel C. Santos; Marinella Mazzanti; Joaquim Marçalo; Manuel Almeida","[U(TpMe2)2(bipy)]+: A Cationic Uranium(III) Complex with Single-Molecule-Magnet Behavior","Inorganic Chemistry","2011","50","","9915","9917","10.1021/ic200705p","","","0.71073","MoKα","","0.0584","0.0318","","","0.066","0.0716","","","","","","1.006","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326451","9.9804","0.0006","10.1877","0.0007","18.981","0.0012","79.088","0.001","78.451","0.001","64.298","0.001","1692.27","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cl5 Cr N9 -","- C34 H26 Cl5 Cr N9 -","- C68 H52 Cl10 Cr2 N18 -","2","1","","Sucheta Joy; Tobias Krämer; Nanda D. Paul; Priyabrata Banerjee; John E. McGrady; Sreebrata Goswami","Isolation and Assessment of the Molecular and Electronic Structures of Azo-Anion-Radical Complexes of Chromium and Molybdenum. Experimental and Theoretical Characterization of Complete Electron-Transfer Series","Inorganic Chemistry","2011","50","","9993","10004","10.1021/ic200708c","","","0.71073","MoKα","","0.0512","0.0388","","","0.1005","0.1084","","","","","","1.062","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4326452","14.205","0.005","16.937","0.005","16.102","0.005","90","0.005","99.699","0.005","90","0.005","3819","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl3 Cr I3 N9 -","- C33 H24 Cl3 Cr I3 N9 -","- C132 H96 Cl12 Cr4 I12 N36 -","4","1","","Sucheta Joy; Tobias Krämer; Nanda D. Paul; Priyabrata Banerjee; John E. McGrady; Sreebrata Goswami","Isolation and Assessment of the Molecular and Electronic Structures of Azo-Anion-Radical Complexes of Chromium and Molybdenum. Experimental and Theoretical Characterization of Complete Electron-Transfer Series","Inorganic Chemistry","2011","50","","9993","10004","10.1021/ic200708c","","","0.71073","MoKα","","0.0606","0.0396","","","0.1004","0.1138","","","","","","1.071","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4326453","9.8375","0.0003","32.0144","0.0008","12.0829","0.0003","90","","100.088","0.001","90","","3746.58","0.17","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Cl7 Mo N9 -","- C35 H28 Cl7 Mo N9 -","- C140 H112 Cl28 Mo4 N36 -","4","1","","Sucheta Joy; Tobias Krämer; Nanda D. Paul; Priyabrata Banerjee; John E. McGrady; Sreebrata Goswami","Isolation and Assessment of the Molecular and Electronic Structures of Azo-Anion-Radical Complexes of Chromium and Molybdenum. Experimental and Theoretical Characterization of Complete Electron-Transfer Series","Inorganic Chemistry","2011","50","","9993","10004","10.1021/ic200708c","","","0.71073","MoKα","","0.0294","0.0254","","","0.0601","0.0621","","","","","","1.04","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4326454","10.0086","0.0011","19.211","0.002","19.417","0.002","90","","92.017","0.002","90","","3731.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl3 I3 Mo N9 -","- C33 H24 Cl3 I3 Mo N9 -","- C132 H96 Cl12 I12 Mo4 N36 -","4","1","","Sucheta Joy; Tobias Krämer; Nanda D. Paul; Priyabrata Banerjee; John E. McGrady; Sreebrata Goswami","Isolation and Assessment of the Molecular and Electronic Structures of Azo-Anion-Radical Complexes of Chromium and Molybdenum. Experimental and Theoretical Characterization of Complete Electron-Transfer Series","Inorganic Chemistry","2011","50","","9993","10004","10.1021/ic200708c","","","0.71073","MoKα","","0.0489","0.0352","","","0.0788","0.0849","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4326455","17.4932","0.0011","18.025","0.0011","22.4714","0.0013","90","","106.01","0.003","90","","6810.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H55 B F24 Fe N3 O2 -","- C67 H55 B F24 Fe N3 O2 -","- C268 H220 B4 F96 Fe4 N12 O8 -","4","1","","Aaron M. Tondreau; Carsten Milsmann; Emil Lobkovsky; Paul J. Chirik","Oxidation and Reduction of Bis(imino)pyridine Iron Dicarbonyl Complexes","Inorganic Chemistry","2011","50","","9888","9895","10.1021/ic200730k","","","0.71073","MoKα","","0.0855","0.0588","","","0.1577","0.1731","","","","","","1.059","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326456","20.138","0.004","13.745","0.006","25.279","0.005","90","","101.53","0.03","90","","6856","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H48 N24 O3 -","- C84 H48 N24 O3 -","- C336 H192 N96 O12 -","4","0.5","","Qiang Zhao; Rui-Fang Li; Sheng-Kai Xing; Xiu-Ming Liu; Tong-Liang Hu; Xian-He Bu","A Highly Selective On/Off Fluorescence Sensor for Cadmium(II)","Inorganic Chemistry","2011","50","","10041","10046","10.1021/ic2008182","","","0.71073","MoKα","","0.0874","0.0586","","","0.1579","0.1849","","","","","","0.777","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326457","22.675","0.005","15.86","0.003","18.331","0.004","90","","110.86","0.03","90","","6160","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 Cd4 Cl0 N20 O32 -","- C42 H24 Cd4 N20 O32 -","- C168 H96 Cd16 N80 O128 -","4","0.5","","Qiang Zhao; Rui-Fang Li; Sheng-Kai Xing; Xiu-Ming Liu; Tong-Liang Hu; Xian-He Bu","A Highly Selective On/Off Fluorescence Sensor for Cadmium(II)","Inorganic Chemistry","2011","50","","10041","10046","10.1021/ic2008182","","","0.71073","MoKα","","0.0759","0.0543","","","0.125","0.1354","","","","","","1.069","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326458","13.735","0.003","16.38","0.003","16.529","0.003","63.89","0.03","89.91","0.03","79.4","0.03","3268.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H48 Cl0 N40 O68 Zn8 -","- C84 H48 N40 O68 Zn8 -","- C84 H48 N40 O68 Zn8 -","1","0.5","","Qiang Zhao; Rui-Fang Li; Sheng-Kai Xing; Xiu-Ming Liu; Tong-Liang Hu; Xian-He Bu","A Highly Selective On/Off Fluorescence Sensor for Cadmium(II)","Inorganic Chemistry","2011","50","","10041","10046","10.1021/ic2008182","","","0.71073","MoKα","","0.1126","0.0885","","","0.2661","0.2941","","","","","","1.067","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326459","9.119","0.003","12.841","0.003","13.451","0.005","89.7","0.03","76.33","0.02","83.03","0.03","1518.7","0.8","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N2 S2 Zn -","- C38 H30 N2 S2 Zn -","- C76 H60 N4 S4 Zn2 -","2","1","","Marcello Gennari; Marius Retegan; Serena DeBeer; Jacques Pécaut; Frank Neese; Marie-Noëlle Collomb; Carole Duboc","Experimental and Computational Investigation of Thiolate Alkylation in NiII and ZnII Complexes: Role of the Metal on the Sulfur Nucleophilicity","Inorganic Chemistry","2011","50","","10047","10055","10.1021/ic200899w","","","0.71073","MoKα","","0.0586","0.0586","","0.0667","","0.0667","","","1.322","","","1.322","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326460","7.5525","0.0006","32.172","0.002","15.6826","0.0012","90","","94.874","0.007","90","","3796.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 I2 N2 S2 Zn -","- C40 H36 I2 N2 S2 Zn -","- C160 H144 I8 N8 S8 Zn4 -","4","1","","Marcello Gennari; Marius Retegan; Serena DeBeer; Jacques Pécaut; Frank Neese; Marie-Noëlle Collomb; Carole Duboc","Experimental and Computational Investigation of Thiolate Alkylation in NiII and ZnII Complexes: Role of the Metal on the Sulfur Nucleophilicity","Inorganic Chemistry","2011","50","","10047","10055","10.1021/ic200899w","","","0.71073","MoKα","","0.0964","0.0311","","","0.0323","0.0364","","","","","","0.629","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326461","10.1338","0.0003","15.6779","0.0005","19.752","0.0006","72.9803","0.0009","80.3509","0.0009","88.1885","0.0009","2957.74","0.16","113.1","","113.1","","","","","","","","","7","P -1","-P 1","2","","","","- C84.5 H116 Cl7.5 N8 O30 V4 W4 -","- C84.5 H116 Cl7.5 N8 O30 V4 W4 -","- C84.5 H116 Cl7.5 N8 O30 V4 W4 -","1","0.5","","Shintaro Kodama; Akihiro Nomoto; Shigenobu Yano; Michio Ueshima; Akiya Ogawa","Novel Heterotetranuclear V2Mo2 or V2W2 Complexes with 4,4'-Di-tert-butyl-2,2'-bipyridine: Syntheses, Crystal Structures, and Catalytic Activities","Inorganic Chemistry","2011","50","","9942","9947","10.1021/ic2009094","","","0.71075","MoKα","","","0.0335","","","","0.096","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326462","10.21631","0.00018","16.2648","0.0004","19.0493","0.0004","105.064","0.0007","97.1994","0.0007","93.2327","0.0007","3019.38","0.11","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H96 Cl24 Mo4 N8 O24 V4 -","- C84 H96 Cl24 Mo4 N8 O24 V4 -","- C84 H96 Cl24 Mo4 N8 O24 V4 -","1","0.5","","Shintaro Kodama; Akihiro Nomoto; Shigenobu Yano; Michio Ueshima; Akiya Ogawa","Novel Heterotetranuclear V2Mo2 or V2W2 Complexes with 4,4'-Di-tert-butyl-2,2'-bipyridine: Syntheses, Crystal Structures, and Catalytic Activities","Inorganic Chemistry","2011","50","","9942","9947","10.1021/ic2009094","","","0.71075","MoKα","","","0.0597","","","","0.1651","","","","","","1.032","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326463","14.5421","0.0014","16.0857","0.0016","17.073","0.0017","90","","90","","90","","3993.7","0.7","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 Cl2 N O4 Ta -","- C36 H60 Cl2 N O4 Ta -","- C144 H240 Cl8 N4 O16 Ta4 -","4","1","","Alan F. Heyduk; Ryan A. Zarkesh; Andy I. Nguyen","Designing Catalysts for Nitrene Transfer Using Early Transition Metals and Redox-Active Ligands","Inorganic Chemistry","2011","50","","9849","9863","10.1021/ic200911b","","","0.71073","MoKα","","0.0705","0.061","","","0.1511","0.1588","","","","","","1.108","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326464","14.9724","0.0013","9.6086","0.0009","19.6981","0.0017","90","","102.83","0.0009","90","","2763.1","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 N4 O2 Ta -","- C29 H39 N4 O2 Ta -","- C116 H156 N16 O8 Ta4 -","4","1","","Alan F. Heyduk; Ryan A. Zarkesh; Andy I. Nguyen","Designing Catalysts for Nitrene Transfer Using Early Transition Metals and Redox-Active Ligands","Inorganic Chemistry","2011","50","","9849","9863","10.1021/ic200911b","","","0.71073","MoKα","","0.0195","0.0172","","","0.0432","0.0447","","","","","","1.031","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326465","9.9363","0.0011","20.418","0.002","20.47","0.002","90","","92.0886","0.0015","90","","4150.2","0.7","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H70 N O4 Ta -","- C41 H70 N O4 Ta -","- C164 H280 N4 O16 Ta4 -","4","1","","Alan F. Heyduk; Ryan A. Zarkesh; Andy I. Nguyen","Designing Catalysts for Nitrene Transfer Using Early Transition Metals and Redox-Active Ligands","Inorganic Chemistry","2011","50","","9849","9863","10.1021/ic200911b","","","0.71073","MoKα","","0.0448","0.0353","","","0.0743","0.0774","","","","","","1.077","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326466","10.5294","0.0015","40.534","0.006","10.4408","0.0015","90","","107.828","0.002","90","","4242.1","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.65 H51.3 Cl3.3 N2 O2 Re -","- C40.65 H51.3 Cl3.3 N2 O2 Re -","- C162.6 H205.2 Cl13.2 N8 O8 Re4 -","4","1","","Cameron A. Lippert; Kenneth I. Hardcastle; Jake D. Soper","Harnessing Redox-Active Ligands for Low-Barrier Radical Addition at Oxorhenium Complexes","Inorganic Chemistry","2011","50","","9864","9878","10.1021/ic200923q","","","0.71073","MoKα","","0.0835","0.0549","","","0.1156","0.1243","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326467","11.9967","0.0014","12.6993","0.0015","16.7812","0.0019","100.583","0.002","107.213","0.002","90.282","0.002","2395.8","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H53 Cl5 N3 O4 Re -","- C48 H53 Cl5 N3 O4 Re -","- C96 H106 Cl10 N6 O8 Re2 -","2","1","","Cameron A. Lippert; Kenneth I. Hardcastle; Jake D. Soper","Harnessing Redox-Active Ligands for Low-Barrier Radical Addition at Oxorhenium Complexes","Inorganic Chemistry","2011","50","","9864","9878","10.1021/ic200923q","","","0.71073","MoKα","","0.0385","0.0304","","","0.0726","0.0765","","","","","","1.06","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326468","9.322","0.004","12.209","0.005","17.354","0.007","86.153","0.005","75.923","0.005","83.29","0.005","1901.1","1.4","172","2","172","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 Cl N2 O3 Re -","- C40 H50 Cl N2 O3 Re -","- C80 H100 Cl2 N4 O6 Re2 -","2","1","","Cameron A. Lippert; Kenneth I. Hardcastle; Jake D. Soper","Harnessing Redox-Active Ligands for Low-Barrier Radical Addition at Oxorhenium Complexes","Inorganic Chemistry","2011","50","","9864","9878","10.1021/ic200923q","","","0.71073","MoKα","","0.0263","0.0222","","","0.0544","0.0565","","","","","","1.082","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326469","25.507","0.008","14.111","0.004","10.667","0.003","90","","102.387","0.004","90","","3750","1.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C80 H100 N4 O6 Re2 -","- C80 H100 N4 O6 Re2 -","- C160 H200 N8 O12 Re4 -","2","0.5","","Cameron A. Lippert; Kenneth I. Hardcastle; Jake D. Soper","Harnessing Redox-Active Ligands for Low-Barrier Radical Addition at Oxorhenium Complexes","Inorganic Chemistry","2011","50","","9864","9878","10.1021/ic200923q","","","0.71073","MoKα","","0.0551","0.0433","","","0.1138","0.1244","","","","","","1.132","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326470","12.8884","0.0005","12.8884","0.0005","19.6867","0.0009","90","","90","","120","","2832.1","0.2","100","2","100","2","","","","","","","","6","P 32","P 32","145","","","","- C39 H29 Cd O3 P S6 -","- C39 H29 Cd O3 P S6 -","- C117 H87 Cd3 O9 P3 S18 -","3","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.0429","0.0338","","","0.0788","0.0813","","","","","","1.014","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326471","12.6333","0.0004","17.782","0.0006","23.0121","0.0008","90","","96.631","0.003","90","","5135","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 Cd Cu O3 P2 S3 -","- C57 H45 Cd Cu O3 P2 S3 -","- C228 H180 Cd4 Cu4 O12 P8 S12 -","4","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.0889","0.0568","","","0.1527","0.1653","","","","","","1.085","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326472","12.66","0.005","17.532","0.005","22.631","0.005","90","0.005","95.538","0.005","90","0.005","5000","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H38.75 Cd Cu O3 P2 S6 -","- C51 H38.751 Cd Cu O3 P2 S6 -","- C204 H155.004 Cd4 Cu4 O12 P8 S24 -","4","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.1346","0.0807","","","0.184","0.2222","","","","","","1.037","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326473","12.6836","0.0003","14.5643","0.0002","14.3913","0.0003","90","","107.029","0.002","90","","2541.92","0.09","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H39 Ag Cd O3 P2 S6 -","- C51 H39 Ag Cd O3 P2 S6 -","- C102 H78 Ag2 Cd2 O6 P4 S12 -","2","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.0592","0.0393","","","0.0881","0.0933","","","","","","0.922","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326474","13.9235","0.0005","39.2078","0.0018","18.1192","0.0005","90","","90","","90","","9891.4","0.6","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C51 H41 Ag Cd O4 P2 S6 -","- C51 H41 Ag Cd O4 P2 S6 -","- C408 H328 Ag8 Cd8 O32 P16 S48 -","8","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.1556","0.0991","","","0.2159","0.2343","","","","","","1.045","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326475","12.7887","0.0002","14.7387","0.0002","14.1904","0.0003","90","","107.071","0.002","90","","2556.89","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H45 Ag Cd O3 P2 S3 -","- C57 H45 Ag Cd O3 P2 S3 -","- C114 H90 Ag2 Cd2 O6 P4 S6 -","2","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.0293","0.0229","","","0.042","0.043","","","","","","0.95","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326476","11.2551","0.0007","14.2713","0.0009","17.7941","0.0011","82.502","0.005","89.949","0.005","78.471","0.006","2775.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H40 Cd4 O8 S8 -","- C56 H40 Cd4 O8 S8 -","- C112 H80 Cd8 O16 S16 -","2","1","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.0987","0.0591","","","0.144","0.1724","","","","","","1.04","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326477","11.016","0.005","12.676","0.005","12.956","0.005","71.529","0.005","68.282","0.005","87.58","0.005","1588.4","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H46 Cd2 Cl4 O4 P2 S8 -","- C58 H46 Cd2 Cl4 O4 P2 S8 -","- C58 H46 Cd2 Cl4 O4 P2 S8 -","1","0.5","","Jyotsna Chaturvedi; Suryabhan Singh; Subrato Bhattacharya; Heinrich Nöth","The Chemistry of Cadmium-Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides","Inorganic Chemistry","2011","50","","10056","10069","10.1021/ic200927w","","","0.71073","MoKα","","0.068","0.0458","","","0.1225","0.1322","","","","","","1.075","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326478","16.1746","0.0006","25.9544","0.001","15.7902","0.0006","90","","90","","90","","6628.8","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(Et4N)[Ni(pyN2Et2)OH]","","","- C35 H50 N4 Ni O3 -","- C35 H50 N4 Ni O3 -","- C280 H400 N32 Ni8 O24 -","8","2","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.04","0.036","","","0.0847","0.0877","","","","","","0.886","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326479","14.8167","0.0015","14.4241","0.0015","19.689","0.002","90","","93.352","0.002","90","","4200.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ni(pyN2iPr2)(OH)] (Et4N) CH3COOC2H5","","","- C43 H66 N4 Ni O5 -","- C43 H66 N4 Ni O5 -","- C172 H264 N16 Ni4 O20 -","4","1","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.059","0.0428","","","0.1077","0.1185","","","","","","1.023","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326480","15.7551","0.0006","16.234","0.0006","17.6627","0.0007","90","","90","","90","","4517.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ni(pyN2iBu)(OH)] (Et4N) Et2O","","","- C43 H68 N4 Ni O4 -","- C43 H54.35 N4 Ni O4 -","- C172 H217.4 N16 Ni4 O16 -","4","1","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.0837","0.0688","","","0.1922","0.2083","","","","","","1.062","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326481","18.031","0.0012","50.315","0.003","23.3403","0.0016","90","","98.914","0.001","90","","20919","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5[Ni(pyN2Ph2)(OH)],5(Me4N) 3DMF","","","- C244 H231 N23 Ni5 O18 -","- C244 H231 N23 Ni5 O18 -","- C976 H924 N92 Ni20 O72 -","4","1","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.0752","0.0532","","","0.1109","0.1201","","","","","","1.09","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326482","15.1722","0.0015","12.394","0.0012","19.0984","0.0018","90","","102.029","0.002","90","","3512.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Et4N)[Ni(pyN2Et2)(HCO3)]","","","- C36 H50 N4 Ni O5 -","- C36 H50 N4 Ni O5 -","- C144 H200 N16 Ni4 O20 -","4","1","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.1039","0.0807","","","0.2312","0.2666","","","","","","1.027","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326483","22.6785","0.0016","11.6237","0.0008","14.9172","0.001","90","","90","","90","","3932.3","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Et4N)[Ni(pyN2iPr2)(HCO3)]","","","- C40 H58 N4 Ni O5 -","- C40 H37 N4 Ni O5 -","- C160 H148 N16 Ni4 O20 -","4","0.5","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.0951","0.0798","","","0.229","0.2498","","","","","","1.055","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326484","10.521","0.005","13.4","0.006","15.03","0.007","95.953","0.009","104.788","0.009","112.368","0.008","1846.2","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Et4N)[Ni(macrocycle)(HCO3)]","","","- C37 H53 N7 Ni O5 -","- C37 H53 N7 Ni O5 -","- C74 H106 N14 Ni2 O10 -","2","1","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.0955","0.0615","","","0.1629","0.1884","","","","","","1.032","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326485","30.17","0.007","24.581","0.006","19.054","0.004","90","","104.251","0.004","90","","13696","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ni(NNN)2](Et4N)2 2DMF H2O","","","- C76 H90 N10 Ni O7 -","- C76 H90 N10 Ni O7 -","- C608 H720 N80 Ni8 O56 -","8","2","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.0959","0.0569","","","0.1289","0.1491","","","","","","1.022","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326486","13.038","0.001","9.469","0.001","20.583","0.001","90","0.001","102.785","0.001","90","0.001","2478.1","0.3","118","2","118","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Cu N2 O2 -","- C24 H44 Cu N2 O2 -","- C96 H176 Cu4 N8 O8 -","4","1","","Pratik Verma; John Weir; Liviu Mirica; T. Daniel P. Stack","Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes","Inorganic Chemistry","2011","50","","9816","9825","10.1021/ic200958g","","","0.71073","MoKα","","0.0596","0.0401","","","0.0967","0.1024","","","","","","0.946","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326487","23.949","0.002","10.229","0.001","14.3115","0.0014","90","","90","","90","","3505.9","0.6","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","07211a","(N,N'-di-t-butyl-1,2-diaminoethane)-(3,5-di-t-butyl-1,2-semiquinonato) -copper(II) hexafluoroantimonate","","- C28 H52 Cu F6 N2 O3 Sb -","- C28 H52 Cu F6 N2 O3 Sb -","- C112 H208 Cu4 F24 N8 O12 Sb4 -","4","1","","Pratik Verma; John Weir; Liviu Mirica; T. Daniel P. Stack","Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes","Inorganic Chemistry","2011","50","","9816","9825","10.1021/ic200958g","","","0.71073","MoKα","","0.0321","0.0273","","","0.0636","0.0653","","","","","","1.04","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326488","17.9232","0.0017","14.6868","0.0014","12.8923","0.0013","90","","90","","90","","3393.7","0.6","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H50 Cu F6 N2 O3 Sb -","- C28 H50 Cu F6 N2 O3 Sb -","- C112 H200 Cu4 F24 N8 O12 Sb4 -","4","1","","Pratik Verma; John Weir; Liviu Mirica; T. Daniel P. Stack","Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes","Inorganic Chemistry","2011","50","","9816","9825","10.1021/ic200958g","","","0.71073","MoKα","","0.0313","0.0277","","","0.0669","0.0688","","","","","","1.045","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326489","14.5197","0.0004","18.23","0.0005","19.7922","0.0014","99.15","0.007","104.168","0.008","113.427","0.008","4463.2","0.6","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H127.53 N30 O32.77 Zn4 -","- C62 H98 N30 O32.7652 Zn4 -","- C124 H196 N60 O65.5304 Zn8 -","2","1","","Mohd Zulkefeli; Asami Suzuki; Motoo Shiro; Yosuke Hisamatsu; Eiichi Kimura; Shin Aoki","Selective Hydrolysis of Phosphate Monoester by a Supramolecular Phosphatase Formed by the Self-Assembly of a Bis(Zn2±cyclen) Complex, Cyanuric Acid, and Copper in an Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Inorganic Chemistry","2011","50","","10113","10123","10.1021/ic201072q","","","1.54187","CuKα","","","0.1179","","","","0.3345","","","","","","0.913","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326490","16.1372","0.0003","17.1272","0.0003","41.6","0.003","80.048","0.006","87.81","0.006","63.549","0.004","10129.3","0.9","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C124 H224.266 Cu4 I4 N56.932 O42.929 Zn8 -","- C124 H196 Cu4 I3.999 N56.933 O42.932 Zn8 -","- C248 H392 Cu8 I7.998 N113.866 O85.864 Zn16 -","2","1","","Mohd Zulkefeli; Asami Suzuki; Motoo Shiro; Yosuke Hisamatsu; Eiichi Kimura; Shin Aoki","Selective Hydrolysis of Phosphate Monoester by a Supramolecular Phosphatase Formed by the Self-Assembly of a Bis(Zn2±cyclen) Complex, Cyanuric Acid, and Copper in an Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Inorganic Chemistry","2011","50","","10113","10123","10.1021/ic201072q","","","1.54187","CuKα","","","0.1091","","","","0.338","","","","","","1.146","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326491","14.221","0.001","20.226","0.001","27.156","0.002","90","","90","","90","","7811","0.9","170.2","","170.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H117 Cl5 N4 Re6 S8 -","- C59 H117 Cl5 N4 Re6 S8 -","- C236 H468 Cl20 N16 Re24 S32 -","4","1","","Takashi Yoshimura; Shoji Ishizaka; Tatsuya Kashiwa; Akitaka Ito; Eri Sakuda; Atsushi Shinohara; Noboru Kitamura","direct Observation of a {Re6(μ3-S)8} Core-to-Ligand Charge-Transfer Excited State in an Octahedral Hexarhenium Complex","Inorganic Chemistry","2011","50","","9918","9920","10.1021/ic2010858","","","0.7107","MoKα","","","0.0295","","","","0.0665","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326492","4.5796","0.0002","12.1184","0.0005","15.2298","0.0006","90","","94.195","0.004","90","","842.95","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 O4 Zn -","- C9 H6 O4 Zn -","- C36 H24 O16 Zn4 -","4","1","","Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun","Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand","Inorganic Chemistry","2011","50","","10163","10177","10.1021/ic201124c","","","0.71073","MoKα","","0.0348","0.0287","","","0.0789","0.0804","","","","","","1.027","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326493","19.6382","0.0019","17.2833","0.0012","5.2217","0.0004","90","","92.183","0.008","90","","1771","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Mn O10 Zn2 -","- C18 H14 Mn O10 Zn2 -","- C72 H56 Mn4 O40 Zn8 -","4","0.5","","Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun","Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand","Inorganic Chemistry","2011","50","","10163","10177","10.1021/ic201124c","","","0.71073","MoKα","","0.0612","0.0499","","","0.1433","0.1495","","","","","","1.081","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326494","19.862","0.002","17.2802","0.0018","5.2868","0.0006","90","","90.724","0.011","90","","1814.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Mn3 O10 -","- C18 H14 Mn3 O10 -","- C72 H56 Mn12 O40 -","4","0.5","","Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun","Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand","Inorganic Chemistry","2011","50","","10163","10177","10.1021/ic201124c","","","0.71073","MoKα","","0.0576","0.0546","","","0.1367","0.138","","","","","","1.083","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326495","7.248","0.0003","24.9022","0.0015","20.3892","0.0012","90","","90","","90","","3680.1","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H13 O9 Sm Zn -","- C18 H13 O9 Sm Zn -","- C144 H104 O72 Sm8 Zn8 -","8","1","","Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun","Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand","Inorganic Chemistry","2011","50","","10163","10177","10.1021/ic201124c","","","0.71073","MoKα","","0.0498","0.0414","","","0.0957","0.1006","","","","","","1.068","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326496","7.2231","0.0005","24.777","0.002","20.3178","0.0019","90","","90","","90","","3636.2","0.5","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H13 Eu O9 Zn -","- C18 H13.03 Eu O9 Zn -","- C144 H104.24 Eu8 O72 Zn8 -","8","1","","Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun","Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand","Inorganic Chemistry","2011","50","","10163","10177","10.1021/ic201124c","","","0.71073","MoKα","","0.0325","0.0247","","","0.0501","0.0522","","","","","","1.047","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326497","13.2812","0.0011","15.1611","0.0013","15.6701","0.0009","100.758","0.006","100.424","0.006","108.033","0.008","2849.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 Eu O29 Zn5 -","- C54 H45 Eu O29 Zn5 -","- C108 H90 Eu2 O58 Zn10 -","2","1","","Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun","Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand","Inorganic Chemistry","2011","50","","10163","10177","10.1021/ic201124c","","","0.71073","MoKα","","0.0518","0.0353","","","0.0743","0.0829","","","","","","1.052","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326498","13.3015","0.0005","15.1095","0.0006","15.6882","0.0006","100.837","0.003","100.171","0.003","108.559","0.003","2839.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H43 O28 Tb Zn5 -","- C54 H43 O28 Tb Zn5 -","- C108 H86 O56 Tb2 Zn10 -","2","1","","Qi-Bing Bo; Hong-Yan Wang; Da-Qi Wang; Zhen-Wei Zhang; Jin-Ling Miao; Guo-Xin Sun","Structure and Photoluminescence Tuning Features of Mn2± and Ln3±Activated Zn-Based Heterometal-Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand","Inorganic Chemistry","2011","50","","10163","10177","10.1021/ic201124c","","","0.71073","MoKα","","0.0323","0.0248","","","0.0566","0.0603","","","","","","1.039","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326499","9.7033","0.0003","12.3287","0.0004","15.5781","0.0005","86.494","0.001","87.522","0.001","89.192","0.001","1858.24","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H41 I2 N Ni O P2 -","- C38 H41 I2 N Ni O P2 -","- C76 H82 I4 N2 Ni2 O2 P4 -","2","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0348","0.0282","","","0.0586","0.0601","","","","","","2.081","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326500","9.1301","0.0005","14.387","0.0007","28.7247","0.0014","90","","94","0.002","90","","3763.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Co I2 N O P2 -","- C39 H43 Co I2 N O P2 -","- C156 H172 Co4 I8 N4 O4 P8 -","4","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0427","0.0287","","","0.0411","0.0424","","","","","","1.663","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326501","8.9712","0.0004","24.7251","0.001","16.2706","0.0007","90","","93.804","0.002","90","","3601.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 Cl2 I2 N Ni P2 -","- C36 H37 Cl2 I2 N Ni P2 -","- C144 H148 Cl8 I8 N4 Ni4 P8 -","4","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0459","0.0299","","","0.0414","0.0426","","","","","","1.675","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326502","9.5306","0.0004","11.7513","0.0005","15.7593","0.0007","98.758","0.002","93.89","0.002","101.072","0.002","1703.35","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H34 Br Co I2 N P2 -","- C35 H34 Br Co I2 N P2 -","- C70 H68 Br2 Co2 I4 N2 P4 -","2","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0445","0.028","","","0.0381","0.0393","","","","","","1.433","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326503","11.9678","0.0006","12.1991","0.0012","13.2965","0.0007","103.056","0.004","108.995","0.003","102.7","0.004","1695","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H34 Br I2 N Ni P2 -","- C35 H34 Br I2 N Ni P2 -","- C70 H68 Br2 I4 N2 Ni2 P4 -","2","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0475","0.0329","","","0.052","0.0529","","","","","","2.002","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326504","14.155","0.0006","13.1354","0.0005","36.1275","0.0014","90","","99.612","0.002","90","","6622.9","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H35 Co I2 N P2 -","- C35 H35 Co I2 N P2 -","- C280 H280 Co8 I16 N8 P16 -","8","2","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0375","0.0325","","","0.058","0.0588","","","","","","1.372","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4326505","9.9884","0.0004","11.7808","0.0005","15.8303","0.0007","101.126","0.002","93.187","0.002","103.45","0.002","1767.75","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 Co I2 N O P2 -","- C36 H37 Co I2 N O P2 -","- C72 H74 Co2 I4 N2 O2 P4 -","2","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0565","0.0358","","","0.0565","0.0577","","","","","","2.236","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326506","10.3909","0.0005","24.7658","0.0011","12.8704","0.0006","90","","112.745","0.002","90","","3054.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 I2 N Ni P2 -","- C32 H29 I2 N Ni P2 -","- C128 H116 I8 N4 Ni4 P8 -","4","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.036","0.0243","","","0.0377","0.0385","","","","","","1.749","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326507","11.7095","0.0006","14.259","0.0007","19.391","0.0011","90","","90","","90","","3237.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Co I2 N P2 -","- C34 H33 Co I2 N P2 -","- C136 H132 Co4 I8 N4 P8 -","4","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0306","0.0224","","","0.0316","0.0326","","","","","","1.268","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326508","11.9939","0.0005","12.7222","0.0005","12.9714","0.0009","105.152","0.002","100.967","0.002","110.363","0.002","1702.42","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 I2 N Ni O P2 -","- C36 H37 I2 N Ni O P2 -","- C72 H74 I4 N2 Ni2 O2 P4 -","2","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.04","0.0282","","","0.0497","0.0502","","","","","","2.336","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326509","9.288","0.0004","13.5281","0.0005","27.2546","0.0011","90","","90","","90","","3424.5","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H37 Co I2 N O P2 -","- C36 H37 Co I2 N O P2 -","- C144 H148 Co4 I8 N4 O4 P8 -","4","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0283","0.0241","","","0.0376","0.0381","","","","","","1.548","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326510","25.6612","0.0005","25.6612","0.0005","21.6189","0.0009","90","","90","","120","","12328.7","0.6","150","2","150","2","","","","","","","","5","P 63","P 6c","173","","","","- C87.33 H96.67 Cu2 N4 O21.33 -","- C87.32 H94 Cu2 N4 O21.33 -","- C523.92 H564 Cu12 N24 O127.98 -","6","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.0669","0.0535","","","0.1391","0.1495","","","","","","1.051","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326511","15.631","0.001","16.2439","0.0011","32.635","0.002","90","","90","","90","","8286.3","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80.02 H51 Cl10.03 Cu2 N5 O20.73 -","- C80.016 H51 Cl10.032 Cu2 N5 O20.73 -","- C320.064 H204 Cl40.128 Cu8 N20 O82.92 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.1205","0.0719","","","0.1714","0.1912","","","","","","0.954","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326512","17.7756","0.0012","18.5085","0.0013","22.727","0.0016","90","","90","","90","","7477.2","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H80 Cu2 N5 O19.5 -","- C82 H80 Cu2 N5 O19.5 -","- C328 H320 Cu8 N20 O78 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.081","0.0695","","","0.189","0.1949","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326513","15.0013","0.0008","23.3563","0.0012","23.8248","0.0012","90","","90.658","0.001","90","","8347.1","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H80 Cu2 N4 O20 -","- C96 H80 Cu2 N4 O20 -","- C384 H320 Cu8 N16 O80 -","4","2","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.0873","0.0678","","","0.1838","0.2014","","","","","","1.045","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326514","15.3235","0.0005","21.9549","0.0008","50.9472","0.0018","90","","90","","90","","17140","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C143 H121 Cl6 Cu4 N17 O44 -","- C143 H121 Cl6 Cu4 N17 O44 -","- C572 H484 Cl24 Cu16 N68 O176 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.051","0.0433","","","0.1007","0.1038","","","","","","1.041","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326515","15.1091","0.0008","21.4458","0.0012","52.381","0.003","90","","90","","90","","16972.8","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C153 H133 Cu4 N17 O52 -","- C153 H129 Cu4 N17 O52 -","- C612 H516 Cu16 N68 O208 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.1534","0.0866","","","0.194","0.222","","","","","","0.846","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326516","15.25","0.002","21.548","0.003","52.359","0.007","90","","90","","90","","17206","4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136.32 H100.48 Cu4 N17 O42.16 -","- C136.32 H99.48 Cu4 N17 O42.16 -","- C545.28 H397.92 Cu16 N68 O168.64 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.0979","0.08","","","0.2106","0.2215","","","","","","1.044","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326517","15.1728","0.0015","21.67","0.002","52.697","0.005","90","","90","","90","","17326","3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C138 H103 Cu4 N17 O43 -","- C138 H102 Cu4 N17 O43 -","- C552 H408 Cu16 N68 O172 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.1232","0.0782","","","0.166","0.1814","","","","","","0.879","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326518","15.2568","0.0011","21.8967","0.0016","52.72","0.004","90","","90","","90","","17612","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C143 H113 Cu4 N17 O46 -","- C143 H111 Cu4 N17 O46 -","- C572 H444 Cu16 N68 O184 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.0884","0.0796","","","0.2061","0.2128","","","","","","1.021","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326519","6.7388","0.0007","13.4894","0.0012","6.3904","0.0006","90","","91.025","0.008","90","","580.81","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ge2.54 K4 P1.46 Se12 -","- Ge2.536 K4 P1.464 Se12 -","- Ge2.536 K4 P1.464 Se12 -","1","0.25","","Collin D. Morris; Christos D. Malliakas; Mercouri G. Kanatzidis","Germanium Selenophosphates: The Incommensurately Modulated 1/\ιnfty[Ge4-xPxSe124-] and the Molecular [Ge2P2Se14]6-","Inorganic Chemistry","2011","50","","10241","10248","10.1021/ic201249w","","","0.71073","MoKα","","0.0439","0.0395","","","0.0747","0.076","","","","","","1.24","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326520","7.2463","0.0008","9.7071","0.0011","11.9866","0.0014","79.516","0.009","89.524","0.009","68.281","0.009","768.6","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ge2 P2 Rb6 Se14 -","- Ge2 P2 Rb6 Se14 -","- Ge2 P2 Rb6 Se14 -","1","0.5","","Collin D. Morris; Christos D. Malliakas; Mercouri G. Kanatzidis","Germanium Selenophosphates: The Incommensurately Modulated 1/\ιnfty[Ge4-xPxSe124-] and the Molecular [Ge2P2Se14]6-","Inorganic Chemistry","2011","50","","10241","10248","10.1021/ic201249w","","","0.71073","MoKα","","0.0597","0.0454","","","0.0755","0.0785","","","","","","1.295","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326521","10.5305","0.0014","12.5984","0.0017","12.7306","0.0017","115.766","0.002","100.287","0.002","106.986","0.002","1360","0.3","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 Cl8 N4 O6 Ti2 -","- C48 H64 Cl8 N4 O6 Ti2 -","- C48 H64 Cl8 N4 O6 Ti2 -","1","0.5","","Cesar M. Manna; Gad Armony; Edit Y. Tshuva","New Insights on the Active Species and Mechanism of Cytotoxicity of Salan-Ti(IV) Complexes: A Stereochemical Study","Inorganic Chemistry","2011","50","","10284","10291","10.1021/ic201340m","","","0.71073","MoKα","","0.0816","0.0728","","","0.1842","0.1903","","","","","","1.083","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326522","8.4605","0.0007","14.9365","0.0013","17.6616","0.0015","90","","96.117","0.001","90","","2219.2","0.3","173","1","173","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H58 Cl2 N4 O6 Ti2 -","- C45 H58 Cl2 N4 O6 Ti2 -","- C90 H116 Cl4 N8 O12 Ti4 -","2","1","","Cesar M. Manna; Gad Armony; Edit Y. Tshuva","New Insights on the Active Species and Mechanism of Cytotoxicity of Salan-Ti(IV) Complexes: A Stereochemical Study","Inorganic Chemistry","2011","50","","10284","10291","10.1021/ic201340m","","","0.71073","MoKα","","0.0329","0.032","","","0.0856","0.0864","","","","","","1.045","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326523","22.568","0.003","13.3559","0.0015","31.153","0.004","90","","100.928","0.002","90","","9220","2","173","1","173","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C89 H114 Cl2 N8 O12 Ti4 -","- C89 H114 Cl2 N8 O12 Ti4 -","- C356 H456 Cl8 N32 O48 Ti16 -","4","1","","Cesar M. Manna; Gad Armony; Edit Y. Tshuva","New Insights on the Active Species and Mechanism of Cytotoxicity of Salan-Ti(IV) Complexes: A Stereochemical Study","Inorganic Chemistry","2011","50","","10284","10291","10.1021/ic201340m","","","0.71073","MoKα","","0.1028","0.0896","","","0.2196","0.2274","","","","","","1.129","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326524","10.5529","0.0003","31.5559","0.0005","20.7333","0.0002","90","","90","","90","","6904.3","0.2","150","2","150","2","","","","","","","","6","P c a n","-P 2n 2c","60","","","","- C16 H83.25 Ge20 N16 Ni3 O52.63 -","- C16 H84.452 Ge20 N16 Ni3 O52.616 -","- C64 H337.808 Ge80 N64 Ni12 O210.464 -","4","0.5","","Shiliang Huang; Kirsten Christensen; Maxim V. Peskov; Sihai Yang; Kuo Li; Xiaodong Zou; Junliang Sun","Two Open-Framework Germanates with Nickel Complexes Incorporated into the Framework","Inorganic Chemistry","2011","50","","9921","9923","10.1021/ic2013478","","","0.6889","Synchrotron","","0.0469","0.0331","","","0.0746","0.0802","","","","","","1.037","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326525","10.8907","0.0002","30.9833","0.0005","20.789","0.0005","90","","98.228","0.002","90","","6942.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SUT-1b","","","- C12 H77.95 Ge22 N12 Ni O60.04 -","- C12 H77.9514 Ge22 N12 Ni O60.04 -","- C48 H311.806 Ge88 N48 Ni4 O240.16 -","4","1","","Shiliang Huang; Kirsten Christensen; Maxim V. Peskov; Sihai Yang; Kuo Li; Xiaodong Zou; Junliang Sun","Two Open-Framework Germanates with Nickel Complexes Incorporated into the Framework","Inorganic Chemistry","2011","50","","9921","9923","10.1021/ic2013478","","","0.6889","Synchrotron","","0.0466","0.0376","","","0.1085","0.1209","","","","","","1.043","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326526","8.3809","0.0003","8.781","0.0004","13.91","0.0006","73.781","0.002","76.827","0.002","76.643","0.002","941.61","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C9 H24 F3 N O4 P2 S Si -","- C9 H24 F3 N O4 P2 S Si -","- C18 H48 F6 N2 O8 P4 S2 Si2 -","2","1","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.0481","0.0421","","","0.1036","0.1074","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326527","16.395","0.002","9.219","0.0012","13.7655","0.0017","90","","105.461","0.006","90","","2005.3","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H21 Br N P Si -","- C20 H21 Br N P Si -","- C80 H84 Br4 N4 P4 Si4 -","4","1","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.0277","0.0249","","","0.0608","0.0633","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326528","18.5098","0.0019","9.7109","0.0008","16.3446","0.0015","90","","107.282","0.006","90","","2805.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 F3 N O4 P2 S Si -","- C24 H30 F3 N O4 P2 S Si -","- C96 H120 F12 N4 O16 P8 S4 Si4 -","4","1","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.0649","0.0489","","","0.1247","0.1327","","","","","","1.149","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326529","9.2967","0.0003","17.1918","0.0007","33.2588","0.0012","90","","90","","90","","5315.7","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C18 H42 F3 N O4 P2 S Si -","- C18 H42 F3 N O4 P2 S Si -","- C144 H336 F24 N8 O32 P16 S8 Si8 -","8","1","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.1374","0.0693","","","0.1329","0.1603","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326530","24.951","0.0012","17.4531","0.0008","22.1048","0.0009","90","","93.28","0.002","90","","9610.3","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 F9 N O6 P2 S Si -","- C20 H40 F9 N O6 P2 S Si -","- C240 H480 F108 N12 O72 P24 S12 Si12 -","12","3","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.1888","0.1028","","","0.2156","0.254","","","","","","1.077","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326531","13.8576","0.0012","13.446","0.0013","23.067","0.002","90","","90","","90","","4298.1","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H30 F3 N O4 P2 S Si -","- C12 H30 F3 N O4 P2 S Si -","- C96 H240 F24 N8 O32 P16 S8 Si8 -","8","1","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.0325","0.0288","","","0.0777","0.0815","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326532","13.9242","0.0017","10.7663","0.0014","24.733","0.003","90","","104.734","0.002","90","","3585.9","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 F6 N O P3 Si -","- C8 H24 F6 N O P3 Si -","- C64 H192 F48 N8 O8 P24 Si8 -","8","1","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.0452","0.0391","","","0.0977","0.1019","","","","","","1.029","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326533","7.43","0.001","7.43","0.001","4.7427","0.0009","90","","90","","120","","226.74","0.06","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- B3 Co Rh6 -","- B3 Co0.999 Rh6.001 -","- B6 Co1.998 Rh12.002 -","2","0.166667","","Patrick R. N. Misse; Michael Gilleßen; Boniface P. T. Fokwa","Site-Preferential Design of Itinerant Ferromagnetic Borides: Experimental and Theoretical Investigation of MRh6B3 (M = Fe, Co)","Inorganic Chemistry","2011","50","","10303","10309","10.1021/ic2013655","","","0.71073","MoKα","","0.0249","0.0238","","","0.0456","0.0458","","","","","","1.132","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326534","16.7644","0.0002","16.7644","0.0002","16.7644","0.0002","90","","90","","90","","4711.55","0.1","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ba3.97 Fe3 K1.03 O9 -","- Ba3.96925 Fe3 K1.03075 O9 -","- Ba63.508 Fe48 K16.492 O144 -","16","0.666667","","Qingbiao Zhao; Saritha Nellutla; Won-Joon Son; Shae A. Vaughn; Longfei Ye; Mark D. Smith; Vincent Caignaert; Michael Lufaso; Thomas M. Pekarek; Alex I. Smirnov; Myung-Hwan Whangbo; Hans-Conrad zur Loye","Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra","Inorganic Chemistry","2011","50","","10310","10318","10.1021/ic201374g","","","0.71073","MoKα","","0.0451","0.0314","","","0.0632","0.0679","","","","","","1.078","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326535","9.7487","0.0003","11.2395","0.0004","20.1631","0.0007","93.161","0.002","98.342","0.002","110.662","0.002","2031.77","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Mo N14 Nd O5 -","- C38 H36 Mo N14 Nd O5 -","- C76 H72 Mo2 N28 Nd2 O10 -","2","1","","Jérôme Long; Elena Chelebaeva; Joulia Larionova; Yannick Guari; Rute A. S. Ferreira; Luis D. Carlos; Filipe A. Almeida Paz; Alexander Trifonov; Christian Guérin","Near-Infrared Luminescent and Magnetic Cyano-Bridged Coordination Polymers Nd(phen)n(DMF)m[M(CN)8] (M = Mo, W)","Inorganic Chemistry","2011","50","","9924","9926","10.1021/ic201394y","","","0.71073","MoKα","","0.0212","0.0183","","","0.0423","0.0435","","","","","","1.042","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326536","11.2639","0.0002","20.9739","0.0003","20.1237","0.0003","90","","103.742","0.002","90","","4618.09","0.13","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Mo N15 Nd O6.5 -","- C35 H43 Mo N15 Nd O6.5 -","- C140 H172 Mo4 N60 Nd4 O26 -","4","1","","Jérôme Long; Elena Chelebaeva; Joulia Larionova; Yannick Guari; Rute A. S. Ferreira; Luis D. Carlos; Filipe A. Almeida Paz; Alexander Trifonov; Christian Guérin","Near-Infrared Luminescent and Magnetic Cyano-Bridged Coordination Polymers Nd(phen)n(DMF)m[M(CN)8] (M = Mo, W)","Inorganic Chemistry","2011","50","","9924","9926","10.1021/ic201394y","","","0.7107","MoKα","","0.061","0.0528","","","0.1315","0.1367","","","","","","1.162","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326537","11.1865","0.0002","20.8154","0.0003","20.0352","0.0003","90","","104.864","0.002","90","","4509.12","0.13","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 N15 Nd O5 W -","- C35 H43 N15 Nd O5 W -","- C140 H172 N60 Nd4 O20 W4 -","4","1","","Jérôme Long; Elena Chelebaeva; Joulia Larionova; Yannick Guari; Rute A. S. Ferreira; Luis D. Carlos; Filipe A. Almeida Paz; Alexander Trifonov; Christian Guérin","Near-Infrared Luminescent and Magnetic Cyano-Bridged Coordination Polymers Nd(phen)n(DMF)m[M(CN)8] (M = Mo, W)","Inorganic Chemistry","2011","50","","9924","9926","10.1021/ic201394y","","","0.7107","MoKα","","0.0473","0.0299","","","0.0527","0.0569","","","","","","1.033","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326538","16.097","0.004","18.556","0.005","22.29","0.006","109.646","0.002","98.1","0.001","108.283","0.003","5723","3","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H80 Cl2 Mn4 N16 Ni5 O24 -","- C84 H80 Cl2 Mn4 N16 Ni5 O24 -","- C168 H160 Cl4 Mn8 N32 Ni10 O48 -","2","1","","Hui Chen; Cheng-Bing Ma; Da-Qiang Yuan; Ming-Qiang Hu; Hui-Min Wen; Qiu-Tian Liu; Chang-Neng Chen","Syntheses, Structures, and Magnetic Properties of a Family of Tetra-, Hexa-, and Nonanuclear Mn/Ni Heterometallic Clusters","Inorganic Chemistry","2011","50","","10342","10352","10.1021/ic201403k","","","0.71073","MoKα","","0.0855","0.0649","","","0.1878","0.2074","","","","","","1.037","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326539","17.9792","0.0014","15.5876","0.0011","35.996","0.003","90","","103.096","0.004","90","","9825.6","1.3","113.15","","113.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H85 Br Mn3 N26 Ni6 O31 -","- C80 H68 Br Mn3 N26 Ni6 O31 -","- C320 H272 Br4 Mn12 N104 Ni24 O124 -","4","0.5","","Hui Chen; Cheng-Bing Ma; Da-Qiang Yuan; Ming-Qiang Hu; Hui-Min Wen; Qiu-Tian Liu; Chang-Neng Chen","Syntheses, Structures, and Magnetic Properties of a Family of Tetra-, Hexa-, and Nonanuclear Mn/Ni Heterometallic Clusters","Inorganic Chemistry","2011","50","","10342","10352","10.1021/ic201403k","","","0.71073","MoKα","","0.0867","0.0731","","","0.2112","0.2245","","","","","","1.04","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326540","37.188","0.009","16.461","0.004","24.156","0.006","90","","112.829","0.004","90","","13629","6","150.15","","150.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H54 Cl Mn N28 Ni5 O18 -","- C49 H42 Cl Mn N28 Ni5 O18 -","- C392 H336 Cl8 Mn8 N224 Ni40 O144 -","8","1","","Hui Chen; Cheng-Bing Ma; Da-Qiang Yuan; Ming-Qiang Hu; Hui-Min Wen; Qiu-Tian Liu; Chang-Neng Chen","Syntheses, Structures, and Magnetic Properties of a Family of Tetra-, Hexa-, and Nonanuclear Mn/Ni Heterometallic Clusters","Inorganic Chemistry","2011","50","","10342","10352","10.1021/ic201403k","","","0.71073","MoKα","","0.084","0.065","","","0.17","0.1865","","","","","","1.041","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326541","9.092","0.004","17.554","0.007","18.843","0.008","90","","102.304","0.007","90","","2938","2","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H82 Mn2 N8 Ni2 O22 -","- C52 H49.454 Mn2 N8 Ni2 O21.996 -","- C104 H98.908 Mn4 N16 Ni4 O43.992 -","2","0.5","","Hui Chen; Cheng-Bing Ma; Da-Qiang Yuan; Ming-Qiang Hu; Hui-Min Wen; Qiu-Tian Liu; Chang-Neng Chen","Syntheses, Structures, and Magnetic Properties of a Family of Tetra-, Hexa-, and Nonanuclear Mn/Ni Heterometallic Clusters","Inorganic Chemistry","2011","50","","10342","10352","10.1021/ic201403k","","","0.71073","MoKα","","0.0815","0.0688","","","0.189","0.2058","","","","","","1.052","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326542","8.624","0.0017","11.687","0.002","20.052","0.004","90","","90","","90","","2021","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cs O3 -","- C21 H21 Cs O3 -","- C84 H84 Cs4 O12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre","Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides","Inorganic Chemistry","2011","50","","10363","10370","10.1021/ic201438s","","","0.71073","MoKα","","0.063","0.0474","","","0.084","0.0901","","","","","","1.092","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326543","23.547","0.006","18.893","0.006","22.305","0.006","90","","92.338","0.006","90","","9915","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H55 Cs5 O5 -","- C45 H55 Cs5 O5 -","- C360 H440 Cs40 O40 -","8","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre","Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides","Inorganic Chemistry","2011","50","","10363","10370","10.1021/ic201438s","","","0.71073","MoKα","","0.0413","0.0368","","","0.0798","0.0819","","","","","","1.168","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326544","12.2711","0.0013","12.7492","0.0014","17.116","0.0018","92.199","0.002","108.397","0.002","106.231","0.002","2416","0.4","154","2","154","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H65 Cs2 O5 -","- C50 H65 Cs2 O5 -","- C100 H130 Cs4 O10 -","2","2","","Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre","Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides","Inorganic Chemistry","2011","50","","10363","10370","10.1021/ic201438s","","","0.71073","MoKα","","0.04","0.0379","","","0.0951","0.0969","","","","","","1.04","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326545","19.596","0.003","10.7838","0.0015","12.9491","0.0018","90","","107.988","0.002","90","","2602.6","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H27 Cs3 O3 -","- C24 H27 Cs3 O3 -","- C96 H108 Cs12 O12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre","Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides","Inorganic Chemistry","2011","50","","10363","10370","10.1021/ic201438s","","","0.71073","MoKα","","0.0166","0.0165","","","0.0414","0.0414","","","","","","1.001","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326546","18.926","0.012","9.408","0.006","7.272","0.005","90","","90.087","0.011","90","","1294.8","1.5","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C12 H13 Cs O -","- C12 H13 Cs O -","- C48 H52 Cs4 O4 -","4","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre","Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides","Inorganic Chemistry","2011","50","","10363","10370","10.1021/ic201438s","","","0.71073","MoKα","","0.0939","0.0764","","","0.202","0.2235","","","","","","1.077","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326547","10.373","0.0017","11.0123","0.0019","12.413","0.002","64.229","0.002","76.297","0.003","65.611","0.002","1160.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 Cs O2 -","- C24 H34 Cs O2 -","- C48 H68 Cs2 O4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre","Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides","Inorganic Chemistry","2011","50","","10363","10370","10.1021/ic201438s","","","0.71073","MoKα","","0.0605","0.053","","","0.1303","0.1342","","","","","","1.095","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326548","11.7518","0.0012","7.3162","0.0008","16.9431","0.0018","90","","101.019","0.002","90","","1429.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cs2 O2 -","- C36 H26 Cs2 O2 -","- C72 H52 Cs4 O4 -","2","0.5","","Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre","Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides","Inorganic Chemistry","2011","50","","10363","10370","10.1021/ic201438s","","","0.71073","MoKα","","0.0262","0.0238","","","0.0541","0.0554","","","","","","1.094","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326549","22.415","0.003","23.941","0.003","22.243","0.003","90","","118.676","0.006","90","","10472","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H75 K9 O115 P2 Pd2 W22 -","- K8.63 O98 P2 Pd2 W22 -","- K34.52 O392 P8 Pd8 W88 -","4","1","","Natalya V. Izarova; Abhishek Banerjee; Ulrich Kortz","Noble Metals in Polyoxometalate Chemistry: Palladium-Containing Derivatives of the Monolacunary Keggin and Wells-Dawson Tungstophosphates","Inorganic Chemistry","2011","50","","10379","10386","10.1021/ic201451x","","","0.71073","MoKα","","0.1654","0.0836","","","0.1978","0.2524","","","","","","1.02","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326550","11.7571","0.0007","12.1709","0.0007","18.5502","0.0011","107.693","0.004","95.868","0.004","108.256","0.003","2343.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- H38 K12 N2 O103 P2 Pd2 W22 -","- K12 N2 O103 P2 Pd2 W22 -","- K12 N2 O103 P2 Pd2 W22 -","1","0.5","","Natalya V. Izarova; Abhishek Banerjee; Ulrich Kortz","Noble Metals in Polyoxometalate Chemistry: Palladium-Containing Derivatives of the Monolacunary Keggin and Wells-Dawson Tungstophosphates","Inorganic Chemistry","2011","50","","10379","10386","10.1021/ic201451x","","","0.71073","MoKα","","0.0853","0.0672","","","0.1857","0.1979","","","","","","1.095","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326551","12.3389","0.0015","12.8412","0.0014","27.424","0.004","86.661","0.006","78.86","0.006","61.52","0.005","3744.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- H101 K14 Li O172 P4 Pd2 W34 -","- K13.02 O154 P4 Pd2 W34 -","- K13.02 O154 P4 Pd2 W34 -","1","0.5","","Natalya V. Izarova; Abhishek Banerjee; Ulrich Kortz","Noble Metals in Polyoxometalate Chemistry: Palladium-Containing Derivatives of the Monolacunary Keggin and Wells-Dawson Tungstophosphates","Inorganic Chemistry","2011","50","","10379","10386","10.1021/ic201451x","","","0.71073","MoKα","","0.1245","0.0652","","","0.1594","0.1944","","","","","","1.025","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326552","14.6541","0.0013","21.595","0.002","26.39","0.003","111.025","0.007","90.772","0.006","92.883","0.006","7780.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- H41 K10 O157 P4 Pd2 W34 -","- K10.01 O138 P4 Pd2 W34 -","- K20.02 O276 P8 Pd4 W68 -","2","1","","Natalya V. Izarova; Abhishek Banerjee; Ulrich Kortz","Noble Metals in Polyoxometalate Chemistry: Palladium-Containing Derivatives of the Monolacunary Keggin and Wells-Dawson Tungstophosphates","Inorganic Chemistry","2011","50","","10379","10386","10.1021/ic201451x","","","0.71073","MoKα","","0.1333","0.0819","","","0.2272","0.287","","","","","","1.07","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326553","11.1482","0.0006","11.2282","0.0006","16.9595","0.0009","99.137","0.004","96.922","0.004","96.429","0.005","2062","0.2","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H63 N7 Ti Zr -","- C32 H63 N7 Ti Zr -","- C64 H126 N14 Ti2 Zr2 -","2","1","","Christian Lorber; Laure Vendier","Imido-Bridged Homo- and Heterobimetallic Complexes","Inorganic Chemistry","2011","50","","9927","9929","10.1021/ic201466f","","","0.71073","MoKα","","0.115","0.0663","","","0.1664","0.1883","","","","","","0.947","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326554","9.5144","0.0003","21.016","0.0006","16.5683","0.0005","90","","91.64","0.003","90","","3311.55","0.17","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H56 N6 Ti2 -","- C30 H56 N6 Ti2 -","- C120 H224 N24 Ti8 -","4","1","","Christian Lorber; Laure Vendier","Imido-Bridged Homo- and Heterobimetallic Complexes","Inorganic Chemistry","2011","50","","9927","9929","10.1021/ic201466f","","x-ray","0.71073","MoKα","","0.0636","0.0448","","","0.1105","0.1175","","","","","","1.032","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326555","17.132","0.0018","14.8925","0.0018","13.5549","0.0017","90","","108.537","0.01","90","","3278.9","0.7","180","2","180","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C30 H56 N6 V2 -","- C30 H56 N6 V2 -","- C120 H224 N24 V8 -","4","1","","Christian Lorber; Laure Vendier","Imido-Bridged Homo- and Heterobimetallic Complexes","Inorganic Chemistry","2011","50","","9927","9929","10.1021/ic201466f","","x-ray","0.71073","MoKα","","0.1461","0.0576","","","0.078","0.0959","","","","","","0.771","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326556","14.0669","0.0005","10.0625","0.0004","27.967","0.001","90","","90","","90","","3958.7","0.3","295","","295","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba25.96 Cu64 Eu6.04 P120 -","- Ba25.96 Cu64 Eu6.04 P120 -","- Ba25.96 Cu64 Eu6.04 P120 -","1","0.125","","Kirill Kovnir; Ulrike Stockert; Sergij Budnyk; Yurii Prots; Michael Baitinger; Silke Paschen; Andrei V. Shevelkov; Yuri Grin","Introducing a Magnetic Guest to a Tetrel-Free Clathrate: Synthesis, Structure, and Properties of EuxBa8-xCu16P30 (0 <=x<= 1.5)","Inorganic Chemistry","2011","50","","10387","10396","10.1021/ic201474h","","","0.71073","MoKα","","0.0718","0.0332","","0.0718","","0.0332","","","","","","1.95","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326557","11.4038","0.0004","11.9005","0.0004","17.2457","0.0006","93.865","0.002","104.381","0.002","116.686","0.002","1981.84","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H43 Cl5 N6 Ni3 O4 -","- C33 H43 Cl5 N6 Ni3 O4 -","- C66 H86 Cl10 N12 Ni6 O8 -","2","1","","Sanja Resanović; R. Stephen Wylie; J. Wilson Quail; Daniel A. Foucher; Robert A. Gossage","Unusual Cationic Trinuclear Nickel Clusters Incorporating Oxazolines or N,N,N',N'-Tetramethylethylene-1,2-diamine: Applications in Olefin Polymerization","Inorganic Chemistry","2011","50","","9930","9932","10.1021/ic201478y","","","0.71073","MoKα","","0.0885","0.051","","","0.0953","0.1108","","","","","","1.024","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326558","11.648","0.002","11.78","0.002","17.747","0.004","73.57","0.03","71.43","0.03","64.57","0.03","2054.1","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H43 Br5 N6 Ni3 O4 -","- C33 H43 Br5 N6 Ni3 O4 -","- C66 H86 Br10 N12 Ni6 O8 -","2","1","","Sanja Resanović; R. Stephen Wylie; J. Wilson Quail; Daniel A. Foucher; Robert A. Gossage","Unusual Cationic Trinuclear Nickel Clusters Incorporating Oxazolines or N,N,N',N'-Tetramethylethylene-1,2-diamine: Applications in Olefin Polymerization","Inorganic Chemistry","2011","50","","9930","9932","10.1021/ic201478y","","","0.71073","MoKα","","0.1311","0.0718","","","0.1283","0.1503","","","","","","1.061","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326559","17.31","0.003","3.0775","0.0009","16.009","0.003","90","","95.903","0.015","90","","848.3","0.3","295","","295","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi1.41 Cu O11 Rh5 -","- Bi1.407 Cu O11 Rh5 -","- Bi5.628 Cu4 O44 Rh20 -","4","0.5","","Hiroshi Mizoguchi; Yuichi Michiue; Arthur W. Sleight; M. A. Subramanian","Undulating Layers in a New Rhodate Network: Structure of Bi1.4CuORh5O10","Inorganic Chemistry","2011","50","","10397","10401","10.1021/ic201481d","","","0.71069","MoKα","","0.0986","0.0524","","","0.1162","0.1219","","","","2.17","2.17","1.83","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4326560","7.6728","0.001","13.847","0.002","26.316","0.003","90.535","0.012","92.815","0.011","102.893","0.012","2721.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H58 Cl Fe3 N3 O21.5 -","- C47 H45 Cl Fe3 N3 O21.5 -","- C94 H90 Cl2 Fe6 N6 O43 -","2","1","","Ghenadie Novitchi; Lothar Helm; Christopher E. Anson; Annie K. Powell; André E. Merbach","NMR Study of Ligand Exchange and Electron Self-Exchange between Oxo-Centered Trinuclear Clusters [Fe3(μ3-O)(μ-O2CR)6(4-R'py)3]+/0","Inorganic Chemistry","2011","50","","10402","10416","10.1021/ic201484q","","","0.71073","MoKα","","0.1247","0.0834","","","0.2015","0.2287","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326561","12.8294","0.0004","15.2913","0.0004","27.2934","0.0008","100.128","0.001","92.063","0.001","109.35","0.001","4947.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108.5 H139 Fe3 N4 O16 -","- C108.5 H139 Fe3 N4 O16 -","- C217 H278 Fe6 N8 O32 -","2","1","","Ghenadie Novitchi; Lothar Helm; Christopher E. Anson; Annie K. Powell; André E. Merbach","NMR Study of Ligand Exchange and Electron Self-Exchange between Oxo-Centered Trinuclear Clusters [Fe3(μ3-O)(μ-O2CR)6(4-R'py)3]+/0","Inorganic Chemistry","2011","50","","10402","10416","10.1021/ic201484q","","","0.71073","MoKα","","0.0671","0.0494","","","0.1275","0.1386","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326562","13.1375","0.0007","13.073","0.0006","19.7262","0.001","90","","96.577","0.003","90","","3365.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Fe N4 Na O16 S2 -","- C26 H32 Fe N4 Na O16 S2 -","- C104 H128 Fe4 N16 Na4 O64 S8 -","4","1","","Zong-Sian Lin; Feng-Chun Lo; Chih-Hsiang Li; Chih-Hao Chen; Wei-Ning Huang; I-Jui Hsu; Jyh-Fu Lee; Jia-Cherng Horng; Wen-Feng Liaw","Peptide-Bound Dinitrosyliron Complexes (DNICs) and Neutral/Reduced-Form Roussin's Red Esters (RREs/rRREs): Understanding Nitrosylation of [Fe-S] Clusters Leading to the Formation of DNICs and RREs Using a De Novo Design Strategy","Inorganic Chemistry","2011","50","","10417","10431","10.1021/ic201529e","","","0.71073","MoKα","","0.1251","0.0641","","","0.1646","0.2118","","","","","","1.032","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326563","10.687","0.01","12.383","0.007","12.968","0.003","90.167","0.02","98.872","0.023","107.454","0.025","1615.3","1.8","113","","113","","","","","","","","synthesis as described","7","P -1","-P 1","2","[Ni(TpMe,Me)(SPh-NO2)(MeCN)2]MeCN","[{Hydrotris(3,5-dimethylpyrazoryl)borato}{4-methoxythiophenolato} (diacetonitrile)nickel(II)] acetonitrile","","- C27 H35 B N10 Ni O2 S -","- C27 H35 B N10 Ni O2 S -","- C54 H70 B2 N20 Ni2 O4 S2 -","2","1","","Jun Nakazawa; Hiroyuki Ogiwara; Yusuke Kashiwazaki; Akiyoshi Ishii; Naoki Imamura; Yuya Samejima; Shiro Hikichi","Dioxygen Activation and Substrate Oxygenation by a p-Nitrothiophenolatonickel Complex: Unique Effects of an Acetonitrile Solvent and the p-Nitro Group of the Ligand","Inorganic Chemistry","2011","50","","9933","9935","10.1021/ic201555f","","x-ray","0.710747","MoKα","","0.0601","0.0397","","","0.112","0.1108","","","","","","1.064","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326564","9.3936","0.0003","11.3494","0.0004","13.6952","0.0006","80.961","0.01","83.095","0.012","67.303","0.01","1327.42","0.13","113","","113","","","","","","","","synthesis as described","7","P -1","-P 1","2","[Ni(TpMe,Me)(H2O)3](SO2PhNO2)","[{Hydrotris(3,5-dimethylpyrazoryl)borato}(triaqua)nickel(II)] (4-nitrobenzenesufinate)","","- C21 H32 B N7 Ni O7 S -","- C21 H32 B N7 Ni O7 S -","- C42 H64 B2 N14 Ni2 O14 S2 -","2","1","","Jun Nakazawa; Hiroyuki Ogiwara; Yusuke Kashiwazaki; Akiyoshi Ishii; Naoki Imamura; Yuya Samejima; Shiro Hikichi","Dioxygen Activation and Substrate Oxygenation by a p-Nitrothiophenolatonickel Complex: Unique Effects of an Acetonitrile Solvent and the p-Nitro Group of the Ligand","Inorganic Chemistry","2011","50","","9933","9935","10.1021/ic201555f","","","0.710747","MoKα","","0.0494","0.0436","","","0.1071","0.1116","","","","","","1.18","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326565","12.733","0.0007","15.1098","0.0008","13.6871","0.0009","90","0","96.7699","0.0036","90","0","2614.9","0.3","113","","113","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","[Ni(TPMe,Me)(SPh-NO2)]","[{Hydrotris(3,5-dimethylpyrazoryl)borato}{4-nitrothiophenolato}nickel(II)]","","- C49 H60 B2 N14 Ni2 O4 S2 -","- C49 H52 B2 N14 Ni2 O4 S2 -","- C98 H104 B4 N28 Ni4 O8 S4 -","2","0.5","","Jun Nakazawa; Hiroyuki Ogiwara; Yusuke Kashiwazaki; Akiyoshi Ishii; Naoki Imamura; Yuya Samejima; Shiro Hikichi","Dioxygen Activation and Substrate Oxygenation by a p-Nitrothiophenolatonickel Complex: Unique Effects of an Acetonitrile Solvent and the p-Nitro Group of the Ligand","Inorganic Chemistry","2011","50","","9933","9935","10.1021/ic201555f","","","0.71073","MoKα","","0.0496","0.0435","","","0.1005","0.1097","","","","","","1.216","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326566","15.87","0.003","10.825","0.002","22.399","0.007","90","","109.563","0.006","90","","3625.9","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-W(NCMe)(CO)3(CNArDipp2)2","","","- C71 H85 Cl8 N3 O3 W -","- C71 H85 Cl8 N3 O3 W -","- C142 H170 Cl16 N6 O6 W2 -","2","0.5","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.1008","0.0484","","","0.095","0.1099","","","","","","1.014","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326567","24.073","0.002","23.997","0.002","21.1748","0.0017","90","","108.228","0.001","90","","11618.4","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","trans-W(CO)4(CNArDipp2)2","","","- C66 H74 N2 O4 W -","- C66 H74 N2 O4 W -","- C528 H592 N16 O32 W8 -","8","1","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.0851","0.0422","","","0.1076","0.123","","","","","","1.057","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326568","19.3808","0.0007","17.0361","0.0006","20.8151","0.0008","90","","116.415","0.001","90","","6155.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","WI2(CO)3(CNArDipp2)2","","","- C65 H74 I2 N2 O3 W -","- C65 H74 I2 N2 O3 W -","- C260 H296 I8 N8 O12 W4 -","4","1","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.0636","0.0538","","","0.1547","0.1634","","","","","","1.058","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326569","24.3913","0.0006","24.3951","0.0006","21.1052","0.0005","90","","107.99","0.001","90","","11944.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MoI2(CO)2(CNArDipp2)2","","","- C64 H74 I1.95 Mo N2 O2 -","- C63.5 H74 I1.9532 Mo1.00005 N1.5 O2 -","- C508 H592 I15.6256 Mo8.0004 N12 O16 -","8","1","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","1.54184","CuKα","","0.0652","0.0601","","","0.1684","0.1741","","","","","","1.036","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326570","27.6865","0.0009","17.4569","0.0006","29.128","0.001","90","","90","","90","","14078.2","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","MoI2(THF)(CO)2(CNArDipp2)2","","","- C68 H82 I2 Mo N2 O3 -","- C68 H82 I2 Mo N2 O3 -","- C544 H656 I16 Mo8 N16 O24 -","8","1","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","1.54178","CuKα","","0.077","0.0569","","","0.15","0.1627","","","","","","1.054","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326571","20.601","0.005","16.167","0.004","15.491","0.007","90","","126.228","0.003","90","","4162","2","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","trans-MoI4(CNArDipp2)2","","","- C78 H94 I4 Mo N2 -","- C78 H94 I4 Mo N2 -","- C156 H188 I8 Mo2 N4 -","2","0.25","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.0539","0.0416","","","0.1123","0.1198","","","","","","1.085","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4326572","16.1462","0.0006","16.957","0.0006","25.635","0.0009","106.364","0.002","90.527","0.003","91.057","0.002","6732.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","W(CO)2(O2CPh)2(CNArDipp2)2","","","- C78 H84 N2 O6 W -","- C78 H84 N2 O6 W -","- C312 H336 N8 O24 W4 -","4","2","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","1.54184","CuKα","","0.0862","0.0446","","","0.0817","0.0941","","","","","","1.025","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326573","12.7672","0.0009","18.9332","0.0014","26.1549","0.0019","94.569","0.001","90.21","0.001","101.274","0.001","6179.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","W(CO)2(O2CMe)2(CNArDipp2)2","","","- C68 H80 N2 O6 W -","- C68 H80 N2 O6 W -","- C272 H320 N8 O24 W4 -","4","2","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.0717","0.037","","","0.0773","0.0923","","","","","","1.004","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326574","10.8652","0.0007","14.4045","0.0009","21.3033","0.0013","109.383","0.001","93.695","0.001","101.965","0.001","3044.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Mo(CO)(O2CMe)2(CNArDipp2)2","","","- C67 H80 Mo N2 O5 -","- C67 H80 Mo N2 O5 -","- C134 H160 Mo2 N4 O10 -","2","1","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.0558","0.0388","","","0.0961","0.1086","","","","","","1.076","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326575","17.956","0.006","17.956","0.006","41.03","0.02","90","","90","","90","","13229","9","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","MoI3(THF)(CNArDipp2)","","","- C66 H82 I3 Mo N2 O -","- C66 H82 I3 Mo N2 O -","- C528 H656 I24 Mo8 N16 O8 -","8","1","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.0799","0.064","","","0.1422","0.1519","","","","","","1.021","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326576","12.5493","0.001","12.7014","0.0011","22.489","0.0019","74.184","0.001","74.645","0.001","68.853","0.001","3160.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(eta6-C6H6)Mo(N2)(CNArDipp2)2","","","- C142 H178 Mo2 N8 O Si2 -","- C142 H178 Mo2 N8 O Si2 -","- C142 H178 Mo2 N8 O Si2 -","1","0.5","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.0716","0.0643","","","0.1717","0.1793","","","","","","1.026","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326577","15.891","0.009","18.193","0.01","22.629","0.012","90","","110.253","0.007","90","","6138","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(eta6-C6H6)MoI2(CNArDipp2)2","","","- C68 H80 I2 Mo N2 -","- C68 H80 I2 Mo N2 -","- C272 H320 I8 Mo4 N8 -","4","1","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","0.71073","MoKα","","0.0495","0.0353","","","0.0769","0.0836","","","","","","1.027","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326578","24.733","0.004","13.81","0.002","22.262","0.004","90","","104.651","0.009","90","","7357","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H103 Gd2 Mn4 N9 O28 -","- C55 H103 Gd2 Mn4 N8.5 O28 -","- C220 H412 Gd8 Mn16 N34 O112 -","4","0.5","","Arpita Saha; Michael Thompson; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou","Family of Double-Cubane Mn4Ln2 (Ln = Gd, Tb, Dy, Ho) and Mn4Y2 Complexes: A New Mn4Tb2 Single-Molecule Magnet","Inorganic Chemistry","2011","50","","10476","10485","10.1021/ic201683p","","","0.71073","MoKα","","0.1363","0.0368","","","0.0901","0.1102","","","","","","1.196","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326579","24.2909","0.0015","14.4236","0.0009","21.8221","0.0013","90","","109.987","0.001","90","","7185.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H97 Mn4 N7 O28 Tb2 -","- C50 H94 Mn4 N6 O28 Tb2 -","- C200 H376 Mn16 N24 O112 Tb8 -","4","0.5","","Arpita Saha; Michael Thompson; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou","Family of Double-Cubane Mn4Ln2 (Ln = Gd, Tb, Dy, Ho) and Mn4Y2 Complexes: A New Mn4Tb2 Single-Molecule Magnet","Inorganic Chemistry","2011","50","","10476","10485","10.1021/ic201683p","","","0.71073","MoKα","","0.0499","0.03","","","0.0606","0.0638","","","","","","0.902","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326580","15.733","0.003","16.348","0.003","19.759","0.004","90","","90","","90","","5082.1","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28.5 H69.25 Cl8 P8 W2 -","- C28.61 H69.22 Cl8 P8 W2 -","- C114.44 H276.88 Cl32 P32 W8 -","4","1","","Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins","Correction to Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones","Inorganic Chemistry","2011","50","","10516","10516","10.1021/ic201710s","","","0.71073","MoKα","","0.0404","0.0376","","","0.0862","0.0878","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326581","10.984","0.006","19.242","0.01","26.927","0.011","90","","113.442","0.017","90","","5221","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H72 Cl2 O24 P8 W2 -","- C26 H72 Cl2 O24 P8 W2 -","- C104 H288 Cl8 O96 P32 W8 -","4","1","","Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins","Correction to Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones","Inorganic Chemistry","2011","50","","10516","10516","10.1021/ic201710s","","","0.71073","MoKα","","0.1447","0.1397","","","0.302","0.3044","","","","","","1.298","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326582","29.849","0.006","10.4","0.002","18.048","0.004","90","","121.12","0.03","90","","4796","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H70 Cl4 N2 P8 W2 -","- C30 H70 Cl4 N2 P8 W2 -","- C120 H280 Cl16 N8 P32 W8 -","4","0.5","","Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins","Correction to Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones","Inorganic Chemistry","2011","50","","10516","10516","10.1021/ic201710s","","","0.71073","MoKα","","0.0535","0.0462","","","0.0831","0.0849","","","","","","1.358","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326583","6.8991","0.0003","13.1725","0.0009","15.8952","0.0012","95.522","0.003","91.505","0.004","102.398","0.004","1402.66","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H23 F6 N3 O6 P Re -","- C25 H23 F6 N3 O6 P Re -","- C50 H46 F12 N6 O12 P2 Re2 -","2","1","","Nicholas E. Travia; Zhenggang Xu; Jason M. Keith; Elon A. Ison; Phillip E. Fanwick; Michael B. Hall; Mahdi M. Abu-Omar","Observation of Inductive Effects That Cause a Change in the Rate-Determining Step for the Conversion of Rhenium Azides to Imido Complexes","Inorganic Chemistry","2011","50","","10505","10514","10.1021/ic2017853","","","0.71073","MO-Kα","","0.062","0.048","","","0.117","0.125","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326584","7.432","0.0004","12.3777","0.0006","12.2351","0.0006","90","","90.134","0.002","90","","1125.52","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs4 Ge8 O20 U -","- Cs4 Ge8 O20 U -","- Cs8 Ge16 O40 U2 -","2","0.5","","Quang Bac Nguyen; Kwang-Hwa Lii","Cs4UGe8O20: A Tetravalent Uranium Germanate Containing Four- and Five-Coordinate Germanium","Inorganic Chemistry","2011","50","","9936","9938","10.1021/ic201789f","","","0.71073","MoKα","","0.0172","0.0166","","","0.043","0.0432","","","","","","1.013","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326585","9.1942","0.0011","11.2165","0.0016","15.3109","0.0017","80.277","0.009","73.837","0.008","79.221","0.01","1478.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11.5 H15.5 Cl N2.5 O2.5 Ru0.5 -","- C11.5 H14.5 Cl N2.5 O2.5 Ru0.5 -","- C46 H58 Cl4 N10 O10 Ru2 -","4","2","","Bhasker Radaram; Jeffrey A. Ivie; Wangkheimayum Marjit Singh; Rafal M. Grudzien; Joseph H. Reibenspies; Charles Edwin Webster; Xuan Zhao","Water Oxidation by Mononuclear Ruthenium Complexes with TPA-Based Ligands","Inorganic Chemistry","2011","50","","10564","10571","10.1021/ic200050g","","","1.54178","CuKα","","0.1998","0.0776","","","0.0975","0.1189","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326586","18.9127","0.0005","12.0454","0.0003","18.9174","0.0005","90","","113.396","0.001","90","","3955.27","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H38 Cl2 N4 S2 -","- C49 H38 Cl2 N4 S2 -","- C196 H152 Cl8 N16 S8 -","4","0.5","","Runyu Tan; Datong Song","Interconversion between the Enantiomers of Chiral Five-Coordinate Me3Pt(IV) Complexes","Inorganic Chemistry","2011","50","","10614","10622","10.1021/ic200889y","","","0.71073","MoKα","","0.0612","0.0415","","","0.0978","0.1075","","","","","","1.047","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326587","36.6641","0.0014","9.8077","0.0004","19.2256","0.0008","90","","119.923","0.001","90","","5991.8","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N2 Pt2 S -","- C34 H36 N2 Pt2 S -","- C272 H288 N16 Pt16 S8 -","8","1","","Runyu Tan; Datong Song","Interconversion between the Enantiomers of Chiral Five-Coordinate Me3Pt(IV) Complexes","Inorganic Chemistry","2011","50","","10614","10622","10.1021/ic200889y","","","0.71073","MoKα","","0.0314","0.0274","","","0.0646","0.0663","","","","","","1.129","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326588","12.0881","0.0008","24.2781","0.0015","9.4344","0.0004","90","","90","","90","","2768.8","0.3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C56 H54 F6 N4 O7 Pt2 S4 -","- C56 H54 F6 N4 O7 Pt2 S4 -","- C112 H108 F12 N8 O14 Pt4 S8 -","2","0.5","","Runyu Tan; Datong Song","Interconversion between the Enantiomers of Chiral Five-Coordinate Me3Pt(IV) Complexes","Inorganic Chemistry","2011","50","","10614","10622","10.1021/ic200889y","","","0.71073","MoKα","","0.0526","0.0388","","","0.087","0.1005","","","","","","1.039","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326589","21.8015","0.0007","12.8443","0.0004","22.2233","0.0007","90","","114.169","0.001","90","","5677.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H39 B F24 N2 Pt S -","- C59 H39 B F24 N2 Pt S -","- C236 H156 B4 F96 N8 Pt4 S4 -","4","1","","Runyu Tan; Datong Song","Interconversion between the Enantiomers of Chiral Five-Coordinate Me3Pt(IV) Complexes","Inorganic Chemistry","2011","50","","10614","10622","10.1021/ic200889y","","","0.71073","MoKα","","0.0978","0.0623","","","0.1487","0.1658","","","","","","1.021","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326590","8.2145","0.0001","22.6539","0.0004","9.8332","0.0002","90","","90","","90","","1829.86","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H20 Fe2 O -","- C24 H20 Fe2 O -","- C96 H80 Fe8 O4 -","4","0.5","","Alexander Hildebrandt; Dieter Schaarschmidt; Ron Claus; Heinrich Lang","Influence of Electron Delocalization in Heterocyclic Core Systems on the Electrochemical Communication in 2,5-Di- and 2,3,4,5-Tetraferrocenyl Thiophenes, Furans, and Pyrroles","Inorganic Chemistry","2011","50","","10623","10632","10.1021/ic200926z","","","0.71073","MoKα","","0.024","0.0206","","","0.0531","0.0539","","","","","","1.079","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326591","17.6554","0.0004","41.9726","0.0009","11.4149","0.0003","90","","90","","90","","8458.9","0.3","110","","110","","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C47 H38 Cl6 Fe4 N -","- C47 H38 Cl6 Fe4 N -","- C376 H304 Cl48 Fe32 N8 -","8","","","Alexander Hildebrandt; Dieter Schaarschmidt; Ron Claus; Heinrich Lang","Influence of Electron Delocalization in Heterocyclic Core Systems on the Electrochemical Communication in 2,5-Di- and 2,3,4,5-Tetraferrocenyl Thiophenes, Furans, and Pyrroles","Inorganic Chemistry","2011","50","","10623","10632","10.1021/ic200926z","","","0.71073","MoKα","","0.0347","0.0313","","","0.0743","0.0751","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326592","11.499","0.005","11.505","0.004","17.854","0.005","90","","117.939","0.019","90","","2086.7","1.4","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H20 Cl12 Fe N6 Se2 -","- C26 H20 Cl12 Fe N6 Se2 -","- C52 H40 Cl24 Fe2 N12 Se4 -","2","0.5","","Christopher J. Adams; M. Carmen Muñoz; Rachel E. Waddington; José Antonio Real","Cooperative Spin Transition in the Two-Dimensional Coordination Polymer [Fe(4,4'-bipyridine)2(NCX)2].4CHCl3 (X = S, Se)","Inorganic Chemistry","2011","50","","10633","10642","10.1021/ic200932w","","","0.71073","MoKα","","0.0614","0.053","","","0.1353","0.1408","","","","","","1.048","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326593","22.693","0.0019","22.608","0.002","17.2911","0.0016","90","","116.933","0.002","90","","7908.9","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cl24 Fe2 N12 Se4 -","- C52 H40 Cl24 Fe2 N12 Se4 -","- C208 H160 Cl96 Fe8 N48 Se16 -","4","0.5","","Christopher J. Adams; M. Carmen Muñoz; Rachel E. Waddington; José Antonio Real","Cooperative Spin Transition in the Two-Dimensional Coordination Polymer [Fe(4,4'-bipyridine)2(NCX)2].4CHCl3 (X = S, Se)","Inorganic Chemistry","2011","50","","10633","10642","10.1021/ic200932w","","","0.71073","MoKα","","0.0684","0.0444","","","0.098","0.1103","","","","","","1.05","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326594","22.681","0.0008","22.617","0.0006","17.292","0.0007","90","","117.757","0.005","90","","7849.7","0.6","120","1","120","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cl24 Fe2 N12 S4 -","- C52 H40 Cl24 Fe2 N12 S4 -","- C208 H160 Cl96 Fe8 N48 S16 -","4","0.5","","Christopher J. Adams; M. Carmen Muñoz; Rachel E. Waddington; José Antonio Real","Cooperative Spin Transition in the Two-Dimensional Coordination Polymer [Fe(4,4'-bipyridine)2(NCX)2].4CHCl3 (X = S, Se)","Inorganic Chemistry","2011","50","","10633","10642","10.1021/ic200932w","","","0.71073","MoKα","","0.1241","0.0558","","","0.1023","0.1342","","","","","","0.918","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326595","16.4483","0.0014","13.263","0.0012","17.2102","0.0015","90","","107.373","0.002","90","","3583.2","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eistm01","","","- C35 H37 Cl Co N6 O12.5 -","- C35 H37 Cl Co N6 O12.5 -","- C140 H148 Cl4 Co4 N24 O50 -","4","1","","Theresa M. McCormick; Zhiji Han; David J. Weinberg; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Impact of Ligand Exchange in Hydrogen Production from Cobaloxime-Containing Photocatalytic Systems","Inorganic Chemistry","2011","50","","10660","10666","10.1021/ic2010166","","","0.71073","MoKα","","0.1144","0.0584","","","0.1291","0.1555","","","","","","1.02","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326596","7.3783","0.0015","8.3748","0.0019","22.125","0.005","90","","90","","90","","1367.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(SP-4-3)-{(1R,2R)-cyclohexane-1,2-diamine}(3-hydroxy-2- (oxidoimino)propan-1-olato-kappa^2^N,O)platinum(II)","","- C9 H23 N3 O5 Pt -","- C9 H23 N3 O5 Pt -","- C36 H92 N12 O20 Pt4 -","4","1","","Yulia Yu. Scaffidi-Domianello; Anton A. Legin; Michael A. Jakupec; Vladimir B. Arion; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Synthesis, Characterization, and Cytotoxic Activity of Novel Potentially pH-Sensitive Nonclassical Platinum(II) Complexes Featuring 1,3-Dihydroxyacetone Oxime Ligands","Inorganic Chemistry","2011","50","","10673","10681","10.1021/ic2010612","","","0.71073","MoKα","","0.0794","0.0556","","","0.1071","0.1145","","","","","","1.009","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326597","13.441","0.001","26.557","0.001","21.81","0.001","90","","118.357","0.002","90","","6851","0.7","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C288 H240 Cu16 I16 P16 -","4","1","","Sandrine Perruchas; Cédric Tard; Xavier F. Le Goff; Alexandre Fargues; Alain Garcia; Samia Kahlal; Jean-Yves Saillard; Thierry Gacoin; Jean-Pierre Boilot","Thermochromic Luminescence of Copper Iodide Clusters: The Case of Phosphine Ligands","Inorganic Chemistry","2011","50","","10682","10692","10.1021/ic201128a","","","0.71069","MoKα","","0.0645","0.0338","","","0.0764","0.0848","","","","","","1.042","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326598","23.922","0.001","23.922","0.001","23.922","0.001","90","","90","","90","","13689.7","1","150","0.1","150","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C61 H110 Cl2 Cu4 I4 P4 -","- C60 H108 Cu4 I4 P4 -","- C480 H864 Cu32 I32 P32 -","8","0.333333","","Sandrine Perruchas; Cédric Tard; Xavier F. Le Goff; Alexandre Fargues; Alain Garcia; Samia Kahlal; Jean-Yves Saillard; Thierry Gacoin; Jean-Pierre Boilot","Thermochromic Luminescence of Copper Iodide Clusters: The Case of Phosphine Ligands","Inorganic Chemistry","2011","50","","10682","10692","10.1021/ic201128a","","","0.71069","MoKα","","0.0611","0.035","","","0.0728","0.0781","","","","","","1.042","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326599","18.9608","0.0016","16.9505","0.0015","15.6072","0.0013","90","","109.088","0.001","90","","4740.3","0.7","105","2","105","2","","","","","","","","9","C 1 c 1","C -2yc","9","FeCr2(dpa)4Cl(OTf)*2CH2Cl2","","","- C43 H36 Cl5 Cr2 F3 Fe N12 O3 S -","- C43 H36 Cl5 Cr2 F3 Fe N12 O3 S -","- C172 H144 Cl20 Cr8 F12 Fe4 N48 O12 S4 -","4","1","","Michael Nippe; Yevgeniya Turov; John F. Berry","Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains","Inorganic Chemistry","2011","50","","10592","10599","10.1021/ic2011309","","","0.71073","MoKα","","0.0511","0.0388","","","0.1012","0.1168","","","","","","0.836","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326600","18.9813","0.0017","16.9171","0.0015","15.6408","0.0014","90","","108.93","0.001","90","","4750.8","0.7","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C43 H36 Cl5 Cr2 F3 Mn N12 O3 S -","- C43 H36 Cl5 Cr2 F3 Mn N12 O3 S -","- C172 H144 Cl20 Cr8 F12 Mn4 N48 O12 S4 -","4","1","","Michael Nippe; Yevgeniya Turov; John F. Berry","Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains","Inorganic Chemistry","2011","50","","10592","10599","10.1021/ic2011309","","","0.71073","MoKα","","0.0374","0.0315","","","0.0791","0.0891","","","","","","1.128","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326601","34.4912","0.0009","17.8894","0.0005","16.83","0.0004","90","","108.302","0.001","90","","9859.3","0.4","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C43.7 H35.4 Cl Cr2 F6 Fe N12 O6.3 S2 -","- C43.7 H35.4 Cl Cr2 F6 Fe N12 O6.3 S2 -","- C349.6 H283.2 Cl8 Cr16 F48 Fe8 N96 O50.4 S16 -","8","2","","Michael Nippe; Yevgeniya Turov; John F. Berry","Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains","Inorganic Chemistry","2011","50","","10592","10599","10.1021/ic2011309","","","1.54178","CuKα","","0.0484","0.0467","","","0.1312","0.1323","","","","","","1.348","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326602","16.3144","0.0005","16.1054","0.0005","17.582","0.0005","90","","103.998","0.002","90","","4482.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(SCN)Cr2FeCl(DPA)4*1Et2O","","","- C45 H42 Cl Cr2 Fe N13 O S -","- C45 H42 Cl Cr2 Fe N13 O S -","- C180 H168 Cl4 Cr8 Fe4 N52 O4 S4 -","4","1","","Michael Nippe; Yevgeniya Turov; John F. Berry","Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains","Inorganic Chemistry","2011","50","","10592","10599","10.1021/ic2011309","","","1.54178","CuKα","","0.0541","0.0531","","","0.1414","0.1422","","","","","","1.073","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326603","18.861","0.002","16.9998","0.0019","15.5741","0.0017","90","","109.33","0.002","90","","4712.1","0.9","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C43 H36 Cl5 Co Cr2 F3 N12 O3 S -","- C43 H36 Cl5 Co Cr2 F3 N12 O3 S -","- C172 H144 Cl20 Co4 Cr8 F12 N48 O12 S4 -","4","1","","Michael Nippe; Yevgeniya Turov; John F. Berry","Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains","Inorganic Chemistry","2011","50","","10592","10599","10.1021/ic2011309","","","0.71073","MoKα","","0.0564","0.0501","","","0.1225","0.1276","","","","","","1.06","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326604","14.4998","0.0012","14.4998","0.0012","7.6888","0.0015","90","","90","","120","","1400","0.3","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C27 H21 F15 N4 -","- C27 H21 F15 N4 -","- C54 H42 F30 N8 -","2","0.333333","","Purnandhu Bose; I. Ravikumar; Pradyut Ghosh","Anion Binding in the C3v-Symmetric Cavity of a Protonated Tripodal Amine Receptor: Potentiometric and Single Crystal X-ray Studies","Inorganic Chemistry","2011","50","","10693","10702","10.1021/ic2011502","","","0.71073","MoKα","","0.0781","0.06","","","0.1628","0.1766","","","","","","1.086","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326605","11.374","0.006","15.129","0.008","20.042","0.011","90","","103.529","0.014","90","","3353","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F18 N4 O2 -","- C27 H24 F18 N4 O2 -","- C108 H96 F72 N16 O8 -","4","1","","Purnandhu Bose; I. Ravikumar; Pradyut Ghosh","Anion Binding in the C3v-Symmetric Cavity of a Protonated Tripodal Amine Receptor: Potentiometric and Single Crystal X-ray Studies","Inorganic Chemistry","2011","50","","10693","10702","10.1021/ic2011502","","","0.71073","MoKα","","0.1708","0.1175","","","0.3301","0.3882","","","","","","1.476","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326606","8.3969","0.0012","35.214","0.005","17.523","0.003","90","","93.316","0.004","90","","5172.7","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H45 F15 N4 O9 S3 -","- C48 H45 F15 N4 O9 S3 -","- C192 H180 F60 N16 O36 S12 -","4","1","","Purnandhu Bose; I. Ravikumar; Pradyut Ghosh","Anion Binding in the C3v-Symmetric Cavity of a Protonated Tripodal Amine Receptor: Potentiometric and Single Crystal X-ray Studies","Inorganic Chemistry","2011","50","","10693","10702","10.1021/ic2011502","","","0.71073","MoKα","","0.1054","0.0529","","","0.0976","0.1158","","","","","","1.003","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326607","8.132","0.003","15.167","0.006","19.121","0.007","85.038","0.005","88.786","0.006","84.381","0.006","2338","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H38 F15 N5 O9 S2 -","- C41 H38 F15 N5 O9 S2 -","- C82 H76 F30 N10 O18 S4 -","2","1","","Purnandhu Bose; I. Ravikumar; Pradyut Ghosh","Anion Binding in the C3v-Symmetric Cavity of a Protonated Tripodal Amine Receptor: Potentiometric and Single Crystal X-ray Studies","Inorganic Chemistry","2011","50","","10693","10702","10.1021/ic2011502","","","0.71073","MoKα","","0.0597","0.0393","","","0.0939","0.1197","","","","","","1.101","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326608","13.5797","0.0017","20.457","0.003","27.338","0.003","90","","99.053","0.002","90","","7499.9","1.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H50 B4 F52 N8 O2 Si -","- C55 H52 B4 F52 N8 O2 Si -","- C220 H208 B16 F208 N32 O8 Si4 -","4","1","","Purnandhu Bose; I. Ravikumar; Pradyut Ghosh","Anion Binding in the C3v-Symmetric Cavity of a Protonated Tripodal Amine Receptor: Potentiometric and Single Crystal X-ray Studies","Inorganic Chemistry","2011","50","","10693","10702","10.1021/ic2011502","","","0.71073","MoKα","","0.1085","0.064","","","0.1584","0.1859","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4326609","10.327","0.003","21.854","0.005","15.447","0.004","90","","96.185","0.003","90","","3465.9","1.6","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 F6 N6 O P Ru -","- C39 H33 F6 N6 O P Ru -","- C156 H132 F24 N24 O4 P4 Ru4 -","4","1","","Sumanta Kumar Padhi; Koji Tanaka","Photo- and Electrochemical Redox Behavior of Cyclometalated Ru(II) Complexes Having a 3-Phenylbenzo[b][1,6]naphthyridine Ligand","Inorganic Chemistry","2011","50","","10718","10723","10.1021/ic201207x","","","0.71075","MoKα","","0.0469","0.043","","","0.137","0.1406","","","","","","1.018","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326610","11.738","0.005","27.488","0.012","8.524","0.004","90","","92.122","0.005","90","","2748","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 F6 N6 P Ru -","- C26 H23 F6 N6 P Ru -","- C104 H92 F24 N24 P4 Ru4 -","4","1","","Sumanta Kumar Padhi; Koji Tanaka","Photo- and Electrochemical Redox Behavior of Cyclometalated Ru(II) Complexes Having a 3-Phenylbenzo[b][1,6]naphthyridine Ligand","Inorganic Chemistry","2011","50","","10718","10723","10.1021/ic201207x","","","0.71075","MoKα","","0.1195","0.0789","","","0.1721","0.1955","","","","","","1.031","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326611","12.31","0.006","27.225","0.012","12.262","0.006","90","","117.337","0.006","90","","3651","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 F6 N6 O P Ru -","- C41 H33 F6 N6 O P Ru -","- C164 H132 F24 N24 O4 P4 Ru4 -","4","1","","Sumanta Kumar Padhi; Koji Tanaka","Photo- and Electrochemical Redox Behavior of Cyclometalated Ru(II) Complexes Having a 3-Phenylbenzo[b][1,6]naphthyridine Ligand","Inorganic Chemistry","2011","50","","10718","10723","10.1021/ic201207x","","","0.71075","MoKα","","0.0833","0.0678","","","0.1911","0.2201","","","","","","0.999","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326612","7.7276","0.0005","8.6307","0.0006","9.8023","0.0007","100.94","0.001","101.285","0.001","97.395","0.001","620.06","0.07","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl2 N2 Zn -","- C12 H10 Cl2 N2 Zn -","- C24 H20 Cl4 N4 Zn2 -","2","1","","Joseph J. Braymer; Jung-Suk Choi; Alaina S. DeToma; Chen Wang; Kisoo Nam; Jeffrey W. Kampf; Ayyalusamy Ramamoorthy; Mi Hee Lim","Development of Bifunctional Stilbene Derivatives for Targeting and Modulating Metal-Amyloid-β Species","Inorganic Chemistry","2011","50","","10724","10734","10.1021/ic2012205","","","0.71073","MoKα","","0.034","0.0315","","","0.0847","0.0861","","","","","","1.066","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326613","7.0223","0.0014","7.3368","0.0015","15.339","0.003","91.54","0.03","94.37","0.03","94.39","0.03","785.2","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl2 N3 Zn -","- C14 H15 Cl2 N3 Zn -","- C28 H30 Cl4 N6 Zn2 -","2","1","","Joseph J. Braymer; Jung-Suk Choi; Alaina S. DeToma; Chen Wang; Kisoo Nam; Jeffrey W. Kampf; Ayyalusamy Ramamoorthy; Mi Hee Lim","Development of Bifunctional Stilbene Derivatives for Targeting and Modulating Metal-Amyloid-β Species","Inorganic Chemistry","2011","50","","10724","10734","10.1021/ic2012205","","","0.71073","MoKα","","0.0394","0.0367","","","0.0983","0.1009","","","","","","1.047","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326614","36.7911","0.0013","60.4299","0.0013","40.1216","0.0009","90","","90","","90","","89202","4","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Au25 Cl2 P10 S5 -","- Au25 Cl2 P10 S5 -","- Au200 Cl16 P80 S40 -","8","1","","Huifeng Qian; William T. Eckenhoff; Mark E. Bier; Tomislav Pintauer; Rongchao Jin","Crystal Structures of Au2 Complex and Au25 Nanocluster and Mechanistic Insight into the Conversion of Polydisperse Nanoparticles into Monodisperse Au25 Nanoclusters","Inorganic Chemistry","2011","50","","10735","10739","10.1021/ic2012292","","","0.71073","MoKα","","0.3716","0.2826","","","0.5765","0.6349","","","","","","2.131","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326615","39.003","0.003","12.2979","0.0008","23.898","0.002","90","","124.642","0.008","90","","9430.7","1.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H39 Au2 F6 P2 S Sb -","- C44 H39 Au2 F6 P2 S Sb -","- C352 H312 Au16 F48 P16 S8 Sb8 -","8","1","","Huifeng Qian; William T. Eckenhoff; Mark E. Bier; Tomislav Pintauer; Rongchao Jin","Crystal Structures of Au2 Complex and Au25 Nanocluster and Mechanistic Insight into the Conversion of Polydisperse Nanoparticles into Monodisperse Au25 Nanoclusters","Inorganic Chemistry","2011","50","","10735","10739","10.1021/ic2012292","","","0.71073","MoKα","","0.1038","0.0531","","","0.1409","0.1813","","","","","","1.107","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326616","9.84","0.002","6.32","0.0013","10.85","0.002","90","","115.65","0.03","90","","608.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Br2 O10 U2 -","- Br2 O10 U2 -","- Br4 O20 U4 -","2","0.5","","Richard E. Wilson; S. Skanthakumar; C. L. Cahill; L. Soderholm","Structural Studies Coupling X-ray Diffraction and High-Energy X-ray Scattering in the UO22±HBraq System","Inorganic Chemistry","2011","50","","10748","10754","10.1021/ic201265s","","","0.71073","MoKα","","0.0396","0.0287","","","0.0648","0.0694","","","","","","1.015","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326617","6.7769","0.0013","6.8215","0.0013","7.6799","0.0014","98.075","0.002","95.036","0.002","116.486","0.002","310.05","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- Br4 N2 O4 U -","- Br4 N2 O4 U -","- Br4 N2 O4 U -","1","0.5","","Richard E. Wilson; S. Skanthakumar; C. L. Cahill; L. Soderholm","Structural Studies Coupling X-ray Diffraction and High-Energy X-ray Scattering in the UO22±HBraq System","Inorganic Chemistry","2011","50","","10748","10754","10.1021/ic201265s","","","0.71073","MoKα","","0.03","0.0265","","","0.0703","0.0715","","","","","","1.11","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326618","6.7525","0.0014","6.8247","0.0014","7.573","0.003","93.976","0.004","99.495","0.004","117.483","0.002","301.12","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- Br4 K2 O4 U -","- Br4 K2 O4 U -","- Br4 K2 O4 U -","1","0.5","","Richard E. Wilson; S. Skanthakumar; C. L. Cahill; L. Soderholm","Structural Studies Coupling X-ray Diffraction and High-Energy X-ray Scattering in the UO22±HBraq System","Inorganic Chemistry","2011","50","","10748","10754","10.1021/ic201265s","","","0.71073","MoKα","","0.03","0.0282","","","0.0743","0.0752","","","","","","1.048","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326619","6.862","0.0015","6.9246","0.0016","7.736","0.003","93.754","0.004","99.142","0.004","117.36","0.003","318.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- Br4 O4 Rb2 U -","- Br4 O4 Rb2 U -","- Br4 O4 Rb2 U -","1","0.5","","Richard E. Wilson; S. Skanthakumar; C. L. Cahill; L. Soderholm","Structural Studies Coupling X-ray Diffraction and High-Energy X-ray Scattering in the UO22±HBraq System","Inorganic Chemistry","2011","50","","10748","10754","10.1021/ic201265s","","","0.71073","MoKα","","0.044","0.0325","","","0.0849","0.1045","","","","","","1.227","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326620","6.3504","0.001","9.7421","0.0016","9.9266","0.0016","90","","104.51","0.002","90","","594.53","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br4 Cs2 O2 U -","- Br4 Cs2 O2 U -","- Br8 Cs4 O4 U2 -","2","0.5","","Richard E. Wilson; S. Skanthakumar; C. L. Cahill; L. Soderholm","Structural Studies Coupling X-ray Diffraction and High-Energy X-ray Scattering in the UO22±HBraq System","Inorganic Chemistry","2011","50","","10748","10754","10.1021/ic201265s","","","0.71073","MoKα","","0.031","0.0292","","","0.0714","0.0723","","","","","","1.11","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326621","7.3729","0.0008","10.3435","0.0011","32.512","0.003","90","","95.327","0.001","90","","2468.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Cl4 N2 Zn -","- C16 H40 Cl4 N2 Zn -","- C64 H160 Cl16 N8 Zn4 -","4","1","","Yupu Liu; Youying Di; Donghua He; Qian Zhou; Jianmin Dou","Crystal Structures, Lattice Potential Energies, and Thermochemical Properties of Crystalline Compounds (1-CnH2n+1NH3)2ZnCl4(s) (n= 8, 10, 12, and 13)","Inorganic Chemistry","2011","50","","10755","10764","10.1021/ic2012974","","","0.71073","MoKα","","0.0943","0.0653","","","0.1434","0.1562","","","","","","1.15","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326622","7.3785","0.0009","10.297","0.0011","37.695","0.003","90","","95.549","0.001","90","","2850.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Cl4 N2 Zn -","- C20 H48 Cl4 N2 Zn -","- C80 H192 Cl16 N8 Zn4 -","4","1","","Yupu Liu; Youying Di; Donghua He; Qian Zhou; Jianmin Dou","Crystal Structures, Lattice Potential Energies, and Thermochemical Properties of Crystalline Compounds (1-CnH2n+1NH3)2ZnCl4(s) (n= 8, 10, 12, and 13)","Inorganic Chemistry","2011","50","","10755","10764","10.1021/ic2012974","","","0.71073","MoKα","","0.1185","0.0674","","","0.1409","0.1636","","","","","","1.08","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326623","10.63","0.001","7.3041","0.0008","43.984","0.004","90","","94.29","0.001","90","","3405.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H60 Cl4 N2 Zn -","- C26 H60 Cl4 N2 Zn -","- C104 H240 Cl16 N8 Zn4 -","4","1","","Yupu Liu; Youying Di; Donghua He; Qian Zhou; Jianmin Dou","Crystal Structures, Lattice Potential Energies, and Thermochemical Properties of Crystalline Compounds (1-CnH2n+1NH3)2ZnCl4(s) (n= 8, 10, 12, and 13)","Inorganic Chemistry","2011","50","","10755","10764","10.1021/ic2012974","","","0.71073","MoKα","","0.1792","0.1495","","","0.2763","0.2895","","","","","","1.106","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326624","7.28","0.0015","23.943","0.005","7.614","0.0015","90","","90.08","0.03","90","","1327.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Mn N O5 -","- C11 H14 Mn N O5 -","- C44 H56 Mn4 N4 O20 -","4","1","","Mariadel Déniz; Jorge Pasán; Jesús Ferrando-Soria; Oscar Fabelo; Laura Cañadillas-Delgado; Consuelo Yuste; Miguel Julve; Joan Cano; Catalina Ruiz-Pérez","Synthesis, Structural Analysis, and Magnetic Properties of Ethylmalonate-Manganese(II) Complexes","Inorganic Chemistry","2011","50","","10765","10776","10.1021/ic201314k","","","0.7295","","","0.0882","0.087","","","0.2231","0.2258","","","","","","1.263","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326625","7.2812","0.0011","23.446","0.003","7.6503","0.0007","90","","91.68","0.009","90","","1305.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Mn N2 O5 -","- C10 H12 Mn N2 O5 -","- C40 H48 Mn4 N8 O20 -","4","1","","Mariadel Déniz; Jorge Pasán; Jesús Ferrando-Soria; Oscar Fabelo; Laura Cañadillas-Delgado; Consuelo Yuste; Miguel Julve; Joan Cano; Catalina Ruiz-Pérez","Synthesis, Structural Analysis, and Magnetic Properties of Ethylmalonate-Manganese(II) Complexes","Inorganic Chemistry","2011","50","","10765","10776","10.1021/ic201314k","","x-ray","0.71073","MoKα","","0.1207","0.0644","","","0.1083","0.1239","","","","","","1.094","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326626","7.4309","0.0006","21.37","0.005","7.4721","0.001","90","","90.357","0.009","90","","1186.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Mn N O5 -","- C10 H10 Mn N O5 -","- C40 H40 Mn4 N4 O20 -","4","1","","Mariadel Déniz; Jorge Pasán; Jesús Ferrando-Soria; Oscar Fabelo; Laura Cañadillas-Delgado; Consuelo Yuste; Miguel Julve; Joan Cano; Catalina Ruiz-Pérez","Synthesis, Structural Analysis, and Magnetic Properties of Ethylmalonate-Manganese(II) Complexes","Inorganic Chemistry","2011","50","","10765","10776","10.1021/ic201314k","","x-ray","0.71073","MoKα","","0.1353","0.1113","","","0.2818","0.2926","","","","","","1.197","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326627","7.3025","0.0006","23.7239","0.0018","7.6867","0.0006","90","","91.548","0.007","90","","1331.19","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Mn N O5 -","- C11 H13 Mn N O5 -","- C44 H52 Mn4 N4 O20 -","4","1","","Mariadel Déniz; Jorge Pasán; Jesús Ferrando-Soria; Oscar Fabelo; Laura Cañadillas-Delgado; Consuelo Yuste; Miguel Julve; Joan Cano; Catalina Ruiz-Pérez","Synthesis, Structural Analysis, and Magnetic Properties of Ethylmalonate-Manganese(II) Complexes","Inorganic Chemistry","2011","50","","10765","10776","10.1021/ic201314k","","x-ray","0.71073","MoKα","","0.0711","0.0447","","","0.0817","0.0897","","","","","","1.127","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326628","10.4333","0.001","12.167","0.002","13.8077","0.0011","90","","90","","90","","1752.8","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H22 Mn2 O13 -","- C10 H22 Mn2 O13 -","- C40 H88 Mn8 O52 -","4","0.5","","Mariadel Déniz; Jorge Pasán; Jesús Ferrando-Soria; Oscar Fabelo; Laura Cañadillas-Delgado; Consuelo Yuste; Miguel Julve; Joan Cano; Catalina Ruiz-Pérez","Synthesis, Structural Analysis, and Magnetic Properties of Ethylmalonate-Manganese(II) Complexes","Inorganic Chemistry","2011","50","","10765","10776","10.1021/ic201314k","","x-ray","0.71073","MoKα","","0.0156","0.0142","","","0.034","0.0346","","","","","","1.124","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326629","29.3009","0.0017","11.32","0.0006","12.0634","0.0007","90","","90","","90","","4001.3","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl2 Mn N5 O2 -","- C19 H18 Cl2 Mn N5 O2 -","- C152 H144 Cl16 Mn8 N40 O16 -","8","1","","Jung Hee Yoon; Woo Ram Lee; Dae Won Ryu; Jin Wuk Lee; Sung Won Yoon; Byoung Jin Suh; Hyoung Chan Kim; Chang Seop Hong","End-to-End Azide-Bridged Manganese(III) Chain Compounds: Field-Induced Magnetic Phase Transitions and Variation of TC to 38 K Depending on the Side Groups of the Schiff Bases","Inorganic Chemistry","2011","50","","10777","10785","10.1021/ic2013232","","","0.71073","MoKα","","0.1543","0.0541","","","0.1256","0.1915","","","","","","1.029","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326630","11.8425","0.001","12.7124","0.001","15.4367","0.0016","97.999","0.004","112.472","0.003","96.399","0.003","2091.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Br4 Mn2 N10 O4 -","- C38 H36 Br4 Mn2 N10 O4 -","- C76 H72 Br8 Mn4 N20 O8 -","2","1","","Jung Hee Yoon; Woo Ram Lee; Dae Won Ryu; Jin Wuk Lee; Sung Won Yoon; Byoung Jin Suh; Hyoung Chan Kim; Chang Seop Hong","End-to-End Azide-Bridged Manganese(III) Chain Compounds: Field-Induced Magnetic Phase Transitions and Variation of TC to 38 K Depending on the Side Groups of the Schiff Bases","Inorganic Chemistry","2011","50","","10777","10785","10.1021/ic2013232","","","0.71073","MoKα","","0.2316","0.0764","","","0.1558","0.2148","","","","","","0.994","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326631","12.6256","0.0015","12.8577","0.0016","12.4425","0.0015","90","","90","","90","","2019.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br2 Mn N5 O2 -","- C19 H18 Br2 Mn N5 O2 -","- C76 H72 Br8 Mn4 N20 O8 -","4","1","","Jung Hee Yoon; Woo Ram Lee; Dae Won Ryu; Jin Wuk Lee; Sung Won Yoon; Byoung Jin Suh; Hyoung Chan Kim; Chang Seop Hong","End-to-End Azide-Bridged Manganese(III) Chain Compounds: Field-Induced Magnetic Phase Transitions and Variation of TC to 38 K Depending on the Side Groups of the Schiff Bases","Inorganic Chemistry","2011","50","","10777","10785","10.1021/ic2013232","","","0.71073","MoKα","","0.2027","0.0533","","","0.0681","0.0973","","","","","","0.885","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326632","21.368","0.001","10.17","0.001","21.555","0.002","90","","118.776","0.001","90","","4105.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H32 Ag2 B2 F8 N8 S2 -","- C38 H32 Ag2 B2 F8 N8 S2 -","- C152 H128 Ag8 B8 F32 N32 S8 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0843","0.0554","","","0.1314","0.1494","","","","","","1.044","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326633","10.16","0.002","10.62","0.002","12.736","0.002","78.688","0.003","73.156","0.003","71.562","0.003","1239.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H36 Ag2 Cl4 F12 N8 P2 S2 -","- C40 H36 Ag2 Cl4 F12 N8 P2 S2 -","- C40 H36 Ag2 Cl4 F12 N8 P2 S2 -","1","0.5","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0673","0.0391","","","0.0813","0.0868","","","","","","1.004","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326634","26.105","0.003","8.08","0.001","21.356","0.002","90","","99.832","0.002","90","","4438.4","0.9","190","2","190","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 B2 Cu2 F8 N10 S2 -","- C42 H38 B2 Cu2 F8 N10 S2 -","- C168 H152 B8 Cu8 F32 N40 S8 -","4","0.5","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.1159","0.0521","","","0.0773","0.0849","","","","","","1.006","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326635","8.901","0.001","17.268","0.002","11.51","0.001","90","","102.979","0.001","90","","1723.9","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Ag B F4 N4 S -","- C14 H14 Ag B F4 N4 S -","- C56 H56 Ag4 B4 F16 N16 S4 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0488","0.038","","","0.1094","0.1188","","","","","","1.003","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326636","10.358","0.002","18.275","0.004","11.743","0.003","90","","91.791","0.004","90","","2221.8","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag B F4 N4 S -","- C18 H22 Ag B F4 N4 S -","- C72 H88 Ag4 B4 F16 N16 S4 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.1401","0.0523","","","0.0555","0.0636","","","","","","1.001","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326637","9.672","0.001","19.4","0.002","12.301","0.001","90","","100.521","0.002","90","","2269.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag F6 N4 P S -","- C18 H22 Ag F6 N4 P S -","- C72 H88 Ag4 F24 N16 P4 S4 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0622","0.039","","","0.092","0.1024","","","","","","1.015","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326638","19.316","0.001","17.068","0.001","21.141","0.002","90","","102.624","0.002","90","","6801.4","0.8","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C55 H82 Ag2 F12 N8 O P2 S2 -","- C54.97 H81.94 Ag2 F12 N8 O0.99 P2 S2 -","- C219.88 H327.76 Ag8 F48 N32 O3.96 P8 S8 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0553","0.0387","","","0.0769","0.0836","","","","","","1.001","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326639","10.668","0.001","17.659","0.001","12.544","0.001","90","","95.56","0.01","90","","2352","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Ag F3 N4 O3 S2 -","- C19 H22 Ag F3 N4 O3 S2 -","- C76 H88 Ag4 F12 N16 O12 S8 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0622","0.0416","","","0.1127","0.1259","","","","","","1.005","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326640","23.477","0.002","12.839","0.001","26.057","0.002","90","","106.5","0.001","90","","7530.7","1","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H42 Ag Cl4 F3 N4 O3 S2 -","- C29 H42 Ag Cl4 F3 N4 O3 S2 -","- C232 H336 Ag8 Cl32 F24 N32 O24 S16 -","8","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.1161","0.0493","","","0.0612","0.0664","","","","","","1.002","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326641","9.056","0.001","17.253","0.001","11.107","0.001","90","","101.5","0.002","90","","1700.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 B Cu F4 N4 S -","- C14 H14 B Cu F4 N4 S -","- C56 H56 B4 Cu4 F16 N16 S4 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0641","0.0371","","","0.0847","0.0964","","","","","","1.011","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326642","10.46","0.001","17.394","0.001","11.542","0.001","90","","96.521","0.001","90","","2086.4","0.3","190","2","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B Cu F4 N4 S -","- C18 H22 B Cu F4 N4 S -","- C72 H88 B4 Cu4 F16 N16 S4 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0651","0.0344","","","0.067","0.0716","","","","","","1.007","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326643","14.345","0.001","14.54","0.001","18.668","0.002","96.202","0.001","90.753","0.001","91.947","0.001","3868.1","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H78 B2 Cu2 F8 N8 P2 S2 -","- C82 H78 B2 Cu2 F8 N8 P2 S2 -","- C164 H156 B4 Cu4 F16 N16 P4 S4 -","2","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0696","0.0362","","","0.0723","0.0775","","","","","","1.008","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326644","13.953","0.004","15.533","0.004","16.86","0.005","90","","106.95","0.01","90","","3495.4","1.7","190","2","190","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 B Cu F4 N4 P S -","- C37 H31 B Cu F4 N4 P S -","- C148 H124 B4 Cu4 F16 N16 P4 S4 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.1385","0.049","","","0.0509","0.0601","","","","","","0.775","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326645","14.414","0.002","15.45","0.002","17.265","0.002","90","","109.371","0.002","90","","3627.2","0.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Ag B F4 N4 P S -","- C37 H31 Ag B F4 N4 P S -","- C148 H124 Ag4 B4 F16 N16 P4 S4 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0629","0.042","","","0.1112","0.1243","","","","","","1.028","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326646","13.075","0.001","15.748","0.001","17.82","0.001","90","","95.372","0.005","90","","3653.1","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 B Cu F4 N4 P S -","- C36 H37 B Cu F4 N4 P S -","- C144 H148 B4 Cu4 F16 N16 P4 S4 -","4","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0695","0.0423","","","0.1011","0.1154","","","","","","1.006","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326647","9.44","0.001","10.44","0.001","12.261","0.001","101.536","0.001","90.687","0.001","93.756","0.001","1181.02","0.19","293","2","293","2","","","","","","","","9","P 1","P 1","1","","","","- C48 H61 B Cu F4 N4 O P S -","- C48 H61 B Cu F4 N4 O P S -","- C48 H61 B Cu F4 N4 O P S -","1","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0564","0.0403","","","0.0604","0.0627","","","","","","1.002","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326648","11.641","0.001","11.854","0.001","13.121","0.001","79.685","0.001","77.861","0.001","70.546","0.001","1657.3","0.2","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C33.5 H32 B Cu F4 N4 O0.5 P S -","- C32 H29 B Cu F4 N4 P S -","- C64 H58 B2 Cu2 F8 N8 P2 S2 -","2","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0276","0.0242","","","0.0627","0.0644","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326649","21.741","0.002","20.335","0.002","16.42","0.001","90","","90","","90","","7259.3","1.1","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C36 H37 Ag B F4 N4 P S -","- C36 H37 Ag B F4 N4 P S -","- C288 H296 Ag8 B8 F32 N32 P8 S8 -","8","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0653","0.0355","","","0.0837","0.0998","","","","","","1.022","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326650","9.86","0.001","16.751","0.002","13.817","0.001","90","","90.526","0.002","90","","2282","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H53 Ag B F4 N4 P S -","- C44 H53 Ag B F4 N4 P S -","- C88 H106 Ag2 B2 F8 N8 P2 S2 -","2","1","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0721","0.0429","","","0.0852","0.0973","","","","","","1.004","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326651","14.258","0.002","14.258","0.002","51.556","0.006","90","","90","","120","","9077","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H60 Ag B F4 P4 -","- C72 H60 Ag B F4 P4 -","- C432 H360 Ag6 B6 F24 P24 -","6","0.333333","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0664","0.0563","","","0.1412","0.1496","","","","","","1.07","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326652","9.342","0.0004","26.2671","0.0008","17.422","0.0005","90","","93.916","0.005","90","","4265.2","0.3","180","","180","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cl2 F3 N4 O6 P2 Pd S -","- C38 H31 Cl2 F3 N4 O6 P2 Pd S -","- C152 H124 Cl8 F12 N16 O24 P8 Pd4 S4 -","4","1","","Yves Canac; Nathalie Debono; Christine Lepetit; Carine Duhayon; Remi Chauvin","Flexible Diphosphine Ligands with Overall Charges of 0, +1, and +2: Critical Role of the Electrostatics in Favoring Trans over Cis Coordination","Inorganic Chemistry","2011","50","","10810","10819","10.1021/ic201342z","","","0.71073","MoKα","","0.0981","0.0592","","0.0775","0.0585","0.0551","","","","","","0.9586","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326653","49.677","0.003","8.5858","0.0005","14.3598","0.0009","90","","94.008","0.003","90","","6109.7","0.6","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N4 P2 -","- C36 H28 N4 P2 -","- C288 H224 N32 P16 -","8","1","","Yves Canac; Nathalie Debono; Christine Lepetit; Carine Duhayon; Remi Chauvin","Flexible Diphosphine Ligands with Overall Charges of 0, +1, and +2: Critical Role of the Electrostatics in Favoring Trans over Cis Coordination","Inorganic Chemistry","2011","50","","10810","10819","10.1021/ic201342z","","","0.71073","MoKα","","0.0691","0.0487","","0.0694","0.0578","0.0578","","","","","","1.0964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326654","16.8049","0.0004","16.7864","0.0004","17.5998","0.0005","90","","103.697","0.003","90","","4823.6","0.2","180","","180","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cl2 F6 N6 O6 P2 Pd S2 -","- C44 H40 Cl2 F6 N6 O6 P2 Pd S2 -","- C176 H160 Cl8 F24 N24 O24 P8 Pd4 S8 -","4","1","","Yves Canac; Nathalie Debono; Christine Lepetit; Carine Duhayon; Remi Chauvin","Flexible Diphosphine Ligands with Overall Charges of 0, +1, and +2: Critical Role of the Electrostatics in Favoring Trans over Cis Coordination","Inorganic Chemistry","2011","50","","10810","10819","10.1021/ic201342z","","","0.71073","MoKα","","0.0777","0.0299","","0.1283","0.033","0.033","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326655","30.774","0.003","12.2594","0.0014","28.281","0.003","90","","105.148","0.004","90","","10298.9","1.9","180","","180","","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 F6 N4 O6 P2 S2 -","- C40 H34 F6 N4 O6 P2 S2 -","- C320 H272 F48 N32 O48 P16 S16 -","8","1","","Yves Canac; Nathalie Debono; Christine Lepetit; Carine Duhayon; Remi Chauvin","Flexible Diphosphine Ligands with Overall Charges of 0, +1, and +2: Critical Role of the Electrostatics in Favoring Trans over Cis Coordination","Inorganic Chemistry","2011","50","","10810","10819","10.1021/ic201342z","","","0.71073","MoKα","","0.1251","0.0801","","","0.2048","0.2274","","","","","","1.037","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326656","12.7655","0.0004","16.829","0.0005","18.7918","0.0006","90","","94.954","0.003","90","","4022","0.2","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Cl8 N4 P2 Pd -","- C38 H30 Cl8 N4 P2 Pd -","- C152 H120 Cl32 N16 P8 Pd4 -","4","1","","Yves Canac; Nathalie Debono; Christine Lepetit; Carine Duhayon; Remi Chauvin","Flexible Diphosphine Ligands with Overall Charges of 0, +1, and +2: Critical Role of the Electrostatics in Favoring Trans over Cis Coordination","Inorganic Chemistry","2011","50","","10810","10819","10.1021/ic201342z","","","0.71073","MoKα","","0.0783","0.0295","","0.0564","0.0343","0.0347","","","","","","1.1326","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326657","12.109","0.002","18.91","0.003","23.26","0.004","68.679","0.003","88.867","0.003","88.136","0.003","4958.8","1.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C98.5 H63 Ag2 Cl7 F20 N4 O9 P4 Pt4 -","- C98.5 H62 Ag2 Cl7 F20 N4 O9 P4 Pt4 -","- C197 H124 Ag4 Cl14 F40 N8 O18 P8 Pt8 -","2","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Piero Mastrorilli; Vito Gallo","Behavior of Neutral Phosphido Derivatives of Platinum and Palladium toward Silver Centers","Inorganic Chemistry","2011","50","","10798","10809","10.1021/ic201354s","","","0.71073","MoKα","","0.0367","0.0326","","","0.0821","0.0849","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326658","13.3787","0.0016","19.201","0.002","24.777","0.003","90","","94.573","0.002","90","","6344.6","1.3","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H49 Cl5 F10 O5 P4 Pd Pt -","- C64 H46 Cl5 F10 O5 P4 Pd Pt -","- C256 H184 Cl20 F40 O20 P16 Pd4 Pt4 -","4","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Piero Mastrorilli; Vito Gallo","Behavior of Neutral Phosphido Derivatives of Platinum and Palladium toward Silver Centers","Inorganic Chemistry","2011","50","","10798","10809","10.1021/ic201354s","","","0.71073","MoKα","","0.0727","0.0508","","","0.122","0.1328","","","","","","1.006","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326659","10.236","0.0002","13.494","0.0004","17.629","0.0004","90","","90","0.001","90","","2435","0.1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 F12 Fe2 O2 P2 S2 -","- C16 H20 F12 Fe2 O2 P2 S2 -","- C64 H80 F48 Fe8 O8 P8 S8 -","4","1","","Pei-Chin Lin; Hsing-Yin Chen; Po-Yu Chen; Ming-Hsi Chiang; Michael Y. Chiang; Ting-Shen Kuo; Sodio C. N. Hsu","Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane","Inorganic Chemistry","2011","50","","10825","10834","10.1021/ic201380k","","","0.71073","MoKα","","0.0811","0.0543","","","0.1397","0.1775","","","","","","1.168","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326660","16.545","0.004","10.091","0.003","23.515","0.006","90","","94.328","0.004","90","","3914.8","1.8","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 B2 F8 Fe2 N4 S2 -","- C30 H30 B2 F8 Fe2 N4 S2 -","- C120 H120 B8 F32 Fe8 N16 S8 -","4","1","","Pei-Chin Lin; Hsing-Yin Chen; Po-Yu Chen; Ming-Hsi Chiang; Michael Y. Chiang; Ting-Shen Kuo; Sodio C. N. Hsu","Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane","Inorganic Chemistry","2011","50","","10825","10834","10.1021/ic201380k","","","0.71073","MoKα","","0.0876","0.0665","","","0.1998","0.2127","","","","","","1.088","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326661","9.9319","0.0005","10.0189","0.0006","16.4568","0.0009","89.47","0.004","88.841","0.004","72.603","0.003","1562.32","0.15","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H60 B4 F16 Fe4 N8 S4 -","- C52 H60 B4 F16 Fe4 N8 S4 -","- C52 H60 B4 F16 Fe4 N8 S4 -","1","0.5","","Pei-Chin Lin; Hsing-Yin Chen; Po-Yu Chen; Ming-Hsi Chiang; Michael Y. Chiang; Ting-Shen Kuo; Sodio C. N. Hsu","Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane","Inorganic Chemistry","2011","50","","10825","10834","10.1021/ic201380k","","","0.71073","MoKα","","0.0917","0.0649","","","0.1705","0.1846","","","","","","1.029","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326662","14.1668","0.0008","15.917","0.0008","23.6224","0.0013","90","","90","","90","","5326.7","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H54 B2 F8 Fe4 N6 S4 -","- C48 H54 B2 F8 Fe4 N6 S4 -","- C192 H216 B8 F32 Fe16 N24 S16 -","4","0.5","","Pei-Chin Lin; Hsing-Yin Chen; Po-Yu Chen; Ming-Hsi Chiang; Michael Y. Chiang; Ting-Shen Kuo; Sodio C. N. Hsu","Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane","Inorganic Chemistry","2011","50","","10825","10834","10.1021/ic201380k","","","0.71073","MoKα","","0.0673","0.0507","","","0.1381","0.1496","","","","","","1.047","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326663","6.62451","0.0003","7.2474","0.0004","12.2548","0.0007","102.876","0.004","100.292","0.01","101.293","0.007","547.04","0.06","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H11 F3 N O3 P Zr -","- C6 F3 N O3 P Zr -","- C12 F6 N2 O6 P2 Zr2 -","2","1","","Marco Taddei; Ferdinando Costantino; Valentina Manuali; Riccardo Vivani","New Hybrid Zirconium Aminophosphonates Containing Piperidine and Bipiperidine Groups","Inorganic Chemistry","2011","50","","10835","10843","10.1021/ic201381t","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08933","","2.61","","","","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326664","6.64837","0.00032","7.13962","0.00034","12.232","0.0006","77.932","0.004","87.031","0.006","78.953","0.005","557.22","0.05","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H12 F3 N O3 P Zr -","- C6 F3 N O3 P Zr -","- C12 F6 N2 O6 P2 Zr2 -","2","1","","Marco Taddei; Ferdinando Costantino; Valentina Manuali; Riccardo Vivani","New Hybrid Zirconium Aminophosphonates Containing Piperidine and Bipiperidine Groups","Inorganic Chemistry","2011","50","","10835","10843","10.1021/ic201381t","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05745","","6.72","","","","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326665","8.75434","0.00014","34.38536","0.00013","11.14542","0.00008","90","","111.479","0.0008","90","","3122.01","0.06","140","","140","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 O6 Sc -","- C12 O6 Sc -","- C96 O48 Sc8 -","8","1","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.826019","","","","","","","","","0.09034","","1.46","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4326666","9.8431","0.0004","9.8431","","9.8431","","90","","90","","90","","953.66","0.04","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- O3 Sc2 -","- O3 Sc2 -","- O48 Sc32 -","16","0.333333","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.826019","","","","","","","","","0.19202","","4.91","","","","","","","has coordinates,has Fobs","179369","2020-10-21","18:00:00",""
"4326667","9.8545","0.0006","9.8545","","9.8545","","90","","90","","90","","956.98","0.06","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- O3 Sc2 -","- O3 Sc2 -","- O48 Sc32 -","16","0.333333","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","1.54056","","","","","","","","","0.1462","","1.22","","","","","","","has coordinates,has Fobs","179369","2020-10-21","18:00:00",""
"4326668","9.516","0.004","11.742","0.006","20.778","0.012","105.31","0.05","90.39","0.04","91.63","0.04","2238","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[(ppy)2Ir(AcacPh-Pyr)]","","","- C59 H55 Ir N2 O4 -","- C51 H35 Ir N2 O2 -","- C102 H70 Ir2 N4 O4 -","2","1","","Fabian Spaenig; Jean-Hubert Olivier; Valentina Prusakova; Pascal Retailleau; Raymond Ziessel; Felix N. Castellano","Excited-State Properties of Heteroleptic Iridium(III) Complexes Bearing Aromatic Hydrocarbons with Extended Cores","Inorganic Chemistry","2011","50","","10859","10871","10.1021/ic201397v","","","0.7107","MoKα","","0.0663","0.0482","","","0.1111","0.1181","","","","","","1.043","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326669","10.124","0.004","13.335","0.005","13.893","0.005","110.81","0.02","100.08","0.02","93.96","0.01","1708.5","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[(ppy)2Ir(AcacPhI)]","","","- C37 H32 I Ir N4 O2 -","- C37 H32 I Ir N4 O2 -","- C74 H64 I2 Ir2 N8 O4 -","2","1","","Fabian Spaenig; Jean-Hubert Olivier; Valentina Prusakova; Pascal Retailleau; Raymond Ziessel; Felix N. Castellano","Excited-State Properties of Heteroleptic Iridium(III) Complexes Bearing Aromatic Hydrocarbons with Extended Cores","Inorganic Chemistry","2011","50","","10859","10871","10.1021/ic201397v","","","0.7107","MoKα","","0.0568","0.0359","","","0.0747","0.0826","","","","","","1.028","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326670","14.4859","0.0019","14.583","0.002","18.137","0.003","90","","90","","90","","3831.4","1","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 In2 N6 Ni O Se5 -","- C36 H24 In2 N6 Ni O Se5 -","- C144 H96 In8 N24 Ni4 O4 Se20 -","4","1","","Xu Zhang; Zhi-Xin Lei; Wen Luo; Wen-Qin Mu; Xiang Zhang; Qin-Yu Zhu; Jie Dai","1-D Selenidoindates {[In2Se5]}∞directed by Chiral Metal Complex Cations of 1,10-Phenanthroline","Inorganic Chemistry","2011","50","","10872","10877","10.1021/ic201404t","","","0.71075","MoKα","","0.0909","0.0768","","","0.1407","0.1473","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326671","14.501","0.003","14.584","0.003","18.146","0.004","90","","90","","90","","3837.6","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 In2 N6 Ni O Se5 -","- C36 H24 In2 N6 Ni O Se5 -","- C144 H96 In8 N24 Ni4 O4 Se20 -","4","1","","Xu Zhang; Zhi-Xin Lei; Wen Luo; Wen-Qin Mu; Xiang Zhang; Qin-Yu Zhu; Jie Dai","1-D Selenidoindates {[In2Se5]}∞directed by Chiral Metal Complex Cations of 1,10-Phenanthroline","Inorganic Chemistry","2011","50","","10872","10877","10.1021/ic201404t","","","0.71073","MoKα","","0.1137","0.0719","","","0.1205","0.1429","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326672","14.498","0.004","14.654","0.004","17.852","0.005","90","","90","","90","","3792.7","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Fe In2 N6 O Se5 -","- C36 H24 Fe In2 N6 O Se5 -","- C144 H96 Fe4 In8 N24 O4 Se20 -","4","1","","Xu Zhang; Zhi-Xin Lei; Wen Luo; Wen-Qin Mu; Xiang Zhang; Qin-Yu Zhu; Jie Dai","1-D Selenidoindates {[In2Se5]}∞directed by Chiral Metal Complex Cations of 1,10-Phenanthroline","Inorganic Chemistry","2011","50","","10872","10877","10.1021/ic201404t","","","0.71075","MoKα","","0.124","0.0801","","","0.0999","0.1165","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326673","11.535","0.002","15.483","0.002","22.378","0.002","90","","97.54","0.02","90","","3962.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H66 N2 O2 Si6 -","- C32 H66 N2 O2 Si6 -","- C128 H264 N8 O8 Si24 -","4","1","","Shabana Khan; Reent Michel; Debasis Koley; Herbert W. Roesky; Dietmar Stalke","Reactivity Studies of a Disilene with N2O and Elemental Sulfur","Inorganic Chemistry","2011","50","","10878","10883","10.1021/ic201419m","","","0.71073","MoKα","","0.0427","0.0346","","","0.0907","0.0952","","","","","","1.058","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326674","9.169","0.002","13.64","0.002","15.669","0.003","90","","90.73","0.02","90","","1959.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H66 N2 O2 Si6 -","- C32 H66 N2 O2 Si6 -","- C64 H132 N4 O4 Si12 -","2","0.5","","Shabana Khan; Reent Michel; Debasis Koley; Herbert W. Roesky; Dietmar Stalke","Reactivity Studies of a Disilene with N2O and Elemental Sulfur","Inorganic Chemistry","2011","50","","10878","10883","10.1021/ic201419m","","","0.71073","MoKα","","0.0572","0.0422","","","0.1035","0.1121","","","","","","1.03","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326675","10.384","0.006","12.874","0.007","16.36","0.009","72.12","0.02","78.51","0.02","75.56","0.02","1997.8","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H66 N2 S2 Si6 -","- C32 H66 N2 S2 Si6 -","- C64 H132 N4 S4 Si12 -","2","1","","Shabana Khan; Reent Michel; Debasis Koley; Herbert W. Roesky; Dietmar Stalke","Reactivity Studies of a Disilene with N2O and Elemental Sulfur","Inorganic Chemistry","2011","50","","10878","10883","10.1021/ic201419m","","","0.71073","MoKα","","0.0636","0.043","","","0.1016","0.1116","","","","","","1.045","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326676","13.7067","0.0006","15.1081","0.0006","18.4128","0.0008","71.022","0.001","77.032","0.001","83.325","0.001","3509.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H83.5 B2 F8 N6.5 Ni O1.5 P4 -","- C62 H67 B2 F8 N5 Ni P4 -","- C124 H134 B4 F16 N10 Ni2 P8 -","2","1","","Uriah J. Kilgore; Michael P. Stewart; Monte L. Helm; William G. Dougherty; W. Scott Kassel; Mary Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock","Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+ Complexes as Electrocatalysts for H2 Production: Substituent Variation at the Phosphorus Atom of the P2N2 Ligand","Inorganic Chemistry","2011","50","","10908","10918","10.1021/ic201461a","","","0.71073","MoKα","","0.1423","0.0676","","","0.1447","0.1594","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326677","15.7991","0.0011","30.863","0.002","15.7859","0.001","90","","118.139","0.002","90","","6787.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H102 B2 F8 N6 Ni O3 P4 -","- C50 H75 B2 F8 N5 Ni P4 -","- C200 H300 B8 F32 N20 Ni4 P16 -","4","1","","Uriah J. Kilgore; Michael P. Stewart; Monte L. Helm; William G. Dougherty; W. Scott Kassel; Mary Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock","Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+ Complexes as Electrocatalysts for H2 Production: Substituent Variation at the Phosphorus Atom of the P2N2 Ligand","Inorganic Chemistry","2011","50","","10908","10918","10.1021/ic201461a","","","0.71073","MoKα","","0.1004","0.0579","","","0.1519","0.1648","","","","","","1.021","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326678","10.1225","0.0004","13.6857","0.0005","19.1016","0.0006","73.048","0.002","83.1","0.002","87.433","0.002","2512.77","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ni(PBz2NPh2)2","","","- C60 H64 N4 Ni P4 -","- C60 H64 N4 Ni P4 -","- C120 H128 N8 Ni2 P8 -","2","1","","Uriah J. Kilgore; Michael P. Stewart; Monte L. Helm; William G. Dougherty; W. Scott Kassel; Mary Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock","Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+ Complexes as Electrocatalysts for H2 Production: Substituent Variation at the Phosphorus Atom of the P2N2 Ligand","Inorganic Chemistry","2011","50","","10908","10918","10.1021/ic201461a","","","0.71073","MoKα","","0.0346","0.0286","","","0.0747","0.0783","","","","","","0.942","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326679","10.8336","0.0003","13.5644","0.0004","16.2488","0.0007","90","","109.481","0.001","90","","2251.09","0.13","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Fe3 O4 P -","- C25 H21 Fe3 O4 P -","- C100 H84 Fe12 O16 P4 -","4","1","","Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Synthesis and Decarbonylation Reactions of the Triiron Phosphinidene Complex [Fe3Cp3(μ-H)(μ3-PPh)(CO)4]: Easy Cleavage and Formation of P-H and Fe-Fe Bonds","Inorganic Chemistry","2011","50","","10937","10948","10.1021/ic201491v","","x-ray","0.71073","MoKα","","0.0375","0.0311","","","0.0847","0.1032","","","","","","1.186","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326680","8.6127","0.0003","9.3554","0.0003","14.2511","0.0004","78.704","0.002","75.595","0.002","73.497","0.002","1056.63","0.06","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H21 Fe3 O3 P -","- C24 H21 Fe3 O3 P -","- C48 H42 Fe6 O6 P2 -","2","1","","Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Synthesis and Decarbonylation Reactions of the Triiron Phosphinidene Complex [Fe3Cp3(μ-H)(μ3-PPh)(CO)4]: Easy Cleavage and Formation of P-H and Fe-Fe Bonds","Inorganic Chemistry","2011","50","","10937","10948","10.1021/ic201491v","","x-ray","0.71073","MoKα","","0.0232","0.0218","","","0.0553","0.0561","","","","","","1.114","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326681","30.132","0.0008","9.3911","0.0002","14.1378","0.0004","90","","90","","90","","4000.61","0.18","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C23 H20 Fe3 O2 P -","- C23 H20 Fe3 O2 P -","- C184 H160 Fe24 O16 P8 -","8","2","","Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Synthesis and Decarbonylation Reactions of the Triiron Phosphinidene Complex [Fe3Cp3(μ-H)(μ3-PPh)(CO)4]: Easy Cleavage and Formation of P-H and Fe-Fe Bonds","Inorganic Chemistry","2011","50","","10937","10948","10.1021/ic201491v","","x-ray","0.71073","MoKα","","0.0953","0.0861","","","0.2122","0.2237","","","","","","1.093","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326682","28.5917","0.0019","7.7225","0.0005","18.4284","0.0013","90","","91.669","0.002","90","","4067.3","0.5","100","2","100","0.1","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Fe3 O3 P -","- C24 H21 Fe3 O3 P -","- C192 H168 Fe24 O24 P8 -","8","1","","Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Synthesis and Decarbonylation Reactions of the Triiron Phosphinidene Complex [Fe3Cp3(μ-H)(μ3-PPh)(CO)4]: Easy Cleavage and Formation of P-H and Fe-Fe Bonds","Inorganic Chemistry","2011","50","","10937","10948","10.1021/ic201491v","","x-ray","0.71073","MoKα","","0.0685","0.0397","","","0.0821","0.0935","","","","","","1.047","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326683","15.056","0.002","7.7491","0.0011","7.7547","0.0011","90","","90","","90","","904.7","0.2","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au2 Lu5 Te2 -","- Au2 Lu5 Te2 -","- Au8 Lu20 Te8 -","4","","","Ping Chai; John D. Corbett","Synthesis, Structure, and Bonding of orthorhombic R5Au2Te2 (R = Lu, Ho, Dy, Y). Electronic Structure of the Binary Parent Valence Compound Eu5As4","Inorganic Chemistry","2011","50","","10949","10955","10.1021/ic201492z","","","0.71073","MoKα","","0.0248","0.0224","","","0.0529","0.054","","","","","","1.08","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326684","9.203","0.002","15.11","0.003","16.64","0.003","103.302","0.003","98.448","0.003","99.987","0.003","2175.2","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.5 H45 F6 N5 O3 P Ru -","- C44.9 H43.8 F6.06 N5 O2.8 P1.01 Ru -","- C89.8 H87.6 F12.12 N10 O5.6 P2.02 Ru2 -","2","1","","Maya El Ojaimi; Randolph P. Thummel","Polydentate Analogues of 8-Hydroxyquinoline and Their Complexes with Ruthenium","Inorganic Chemistry","2011","50","","10966","10973","10.1021/ic201524j","","","0.71073","MoKα","","0.1097","0.0588","","","0.1631","0.217","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326685","17.5855","0.0004","8.816","0.0002","19.4029","0.0005","90","","96.2406","0.0015","90","","2990.28","0.12","15","2","15","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","NdFeDMF Ground State (APS)","","- C18 H36 Fe N10 Nd O8 -","- C18 H36 Fe N10 Nd O8 -","- C72 H144 Fe4 N40 Nd4 O32 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.0769","0.051","","","0.0951","0.0993","","","","","","1.331","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326686","17.3813","0.0004","8.7866","0.0002","19.4646","0.0005","90","","96.7519","0.0015","90","","2952.07","0.12","15","2","15","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","NdFeDMF Excited State (APS)","","- C18 H36 Fe N10 Nd O8 -","- C18 H29.1128 Fe N10 Nd O8 -","- C72 H116.451 Fe4 N40 Nd4 O32 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.1428","0.0639","","","0.113","0.1192","","","","","","1.831","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326687","13.825","0.0005","8.8075","0.0003","24.4849","0.0008","90","","96.643","0.002","90","","2961.36","0.18","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","YFeDMF Ground State (APS)","","- C18 H36 Fe N10 O8 Y -","- C18 H36 Fe N10 O8 Y -","- C72 H144 Fe4 N40 O32 Y4 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.0893","0.0623","","","0.138","0.1424","","","","","","1.636","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326688","13.7568","0.0007","8.7827","0.0005","24.4024","0.0012","90","","96.6947","0.0016","90","","2928.2","0.3","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","YFeDMF Excited State (APS)","","- C18 H36 Fe N10 O8 Y -","- C18 H28.539 Fe N10 O8 Y -","- C72 H114.156 Fe4 N40 O32 Y4 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.1564","0.0825","","","0.1548","0.1596","","","","","","2.32","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326689","17.6548","0.0005","8.8494","0.0002","19.4348","0.0005","90","","96.154","0.0007","90","","3018.89","0.13","15","2","15","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CeFeDMF Ground State (APS)","","- C18 H36 Ce Fe N10 O8 -","- C18 H36 Ce Fe N10 O8 -","- C72 H144 Ce4 Fe4 N40 O32 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.072","0.0431","","","0.0734","0.0774","","","","","","1.299","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326690","17.4053","0.0005","8.8119","0.0002","19.525","0.0006","90","","96.4743","0.0008","90","","2975.52","0.14","15","2","15","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CeFeDMF Excited State (APS)","","- C18 H36 Ce Fe N10 O8 -","- C18 H29.608 Ce Fe N10 O8 -","- C72 H118.432 Ce4 Fe4 N40 O32 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.1697","0.0663","","","0.1091","0.1177","","","","","","1.553","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326691","17.6117","0.0006","8.7894","0.0003","19.3792","0.0007","90","","96.2548","0.0011","90","","2981.97","0.18","15","2","15","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","SmFeDMF Ground State (APS)","","- C18 H36 Fe N10 O8 Sm -","- C18 H36 Fe N10 O8 Sm -","- C72 H144 Fe4 N40 O32 Sm4 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.0598","0.0383","","","0.0689","0.0725","","","","","","1.176","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326692","17.3433","0.0005","8.7536","0.0003","19.4798","0.0007","90","","96.5704","0.0011","90","","2937.93","0.17","15","2","15","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","SmFeDMF Excited State (APS)","","- C18 H36 Fe N10 O8 Sm -","- C18 H29.264 Fe N10 O8 Sm -","- C72 H117.056 Fe4 N40 O32 Sm4 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.151","0.0638","","","0.1073","0.1162","","","","","","1.542","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326693","13.859","0.0006","8.829","0.0004","24.5324","0.0011","90","","96.6953","0.001","90","","2981.3","0.2","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TbFeDMF Ground State (APS)","","- C18 H36 Fe N10 O8 Tb -","- C18 H36 Fe N10 O8 Tb -","- C72 H144 Fe4 N40 O32 Tb4 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.0573","0.0394","","","0.075","0.0783","","","","","","1.129","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326694","13.7713","0.0004","8.7962","0.0003","24.4444","0.0008","90","","96.7654","0.0009","90","","2940.46","0.16","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TbFeDMF Excited State (APS)","","- C18 H36 Fe N10 O8 Tb -","- C18 H29.112 Fe N10 O8 Tb -","- C72 H116.448 Fe4 N40 O32 Tb4 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.1136","0.0618","","","0.1043","0.1074","","","","","","2.11","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326695","13.8284","0.0007","8.7914","0.0005","24.4382","0.0012","90","","96.693","0.001","90","","2950.7","0.3","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","YbFeDMF Ground State (APS)","","- C18 H36 Fe N10 O8 Yb -","- C18 H36 Fe N10 O8 Yb -","- C72 H144 Fe4 N40 O32 Yb4 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.0539","0.039","","","0.0698","0.0727","","","","","","1.177","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326696","13.7301","0.0004","8.7451","0.0002","24.2878","0.0007","90","","96.5683","0.0007","90","","2897.12","0.14","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","YbFeDMF Excited State (APS)","","- C18 H36 Fe N10 O8 Yb -","- C18 H28.464 Fe N10 O8 Yb -","- C72 H113.856 Fe4 N40 O32 Yb4 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.1564","0.073","","","0.1277","0.1333","","","","","","1.95","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326697","17.5359","0.0005","8.7908","0.0002","19.3874","0.0005","90","","96.2279","0.0006","90","","2971.02","0.13","15","2","15","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","NdCoDMF Ground State (APS)","","- C18 H36 Co N10 Nd O8 -","- C18 H36 Co N10 Nd O8 -","- C72 H144 Co4 N40 Nd4 O32 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.0298","0.0247","","","0.0568","0.0576","","","","","","1.472","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326698","17.5347","0.0006","8.7967","0.0003","19.4154","0.0006","90","","96.2436","0.0008","90","","2977.01","0.17","15","2","15","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","NdCoDMF ""Excited State"" (APS)","","- C18 H36 Co N10 Nd O8 -","- C18 H36 Co N10 Nd O8 -","- C72 H144 Co4 N40 Nd4 O32 -","4","1","","Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen","Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction","Inorganic Chemistry","2011","50","","10974","10984","10.1021/ic2015258","","","0.41328","","","0.0335","0.027","","","0.0609","0.062","","","","","","1.516","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326699","9.4576","0.0001","9.775","0.0001","9.8902","0.0001","94.115","0.001","95.218","0.001","98.956","0.001","896.002","0.016","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl2 N3 O Pd -","- C18 H15 Cl2 N3 O Pd -","- C36 H30 Cl4 N6 O2 Pd2 -","2","1","","Peter D. W. Boyd; L. James Wright; M. Naveed Zafar","Extending the Range of Neutral N-Donor Ligands Available for Metal Catalysts: N-[1-Alkylpyridin-4(1H)-ylidene]amides in Palladium-Catalyzed Cross-Coupling Reactions","Inorganic Chemistry","2011","50","","10522","10524","10.1021/ic201527s","","","0.71073","MoKα","","0.0225","0.0197","","","0.0465","0.0479","","","","","","1.047","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326700","11.028","0.005","12.786","0.005","11.313","0.005","90","0.005","116.03","0.005","90","0.005","1433.4","1.1","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Peter D. W. Boyd; L. James Wright; M. Naveed Zafar","Extending the Range of Neutral N-Donor Ligands Available for Metal Catalysts: N-[1-Alkylpyridin-4(1H)-ylidene]amides in Palladium-Catalyzed Cross-Coupling Reactions","Inorganic Chemistry","2011","50","","10522","10524","10.1021/ic201527s","","","0.71073","MoKα","","0.0427","0.0374","","","0.1058","0.1127","","","","","","0.717","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326701","8.328","0.005","9.201","0.005","20.847","0.005","90","","94.192","0.005","90","","1593.1","1.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C72 H64 Cl4 N12 O4 -","4","1","","Peter D. W. Boyd; L. James Wright; M. Naveed Zafar","Extending the Range of Neutral N-Donor Ligands Available for Metal Catalysts: N-[1-Alkylpyridin-4(1H)-ylidene]amides in Palladium-Catalyzed Cross-Coupling Reactions","Inorganic Chemistry","2011","50","","10522","10524","10.1021/ic201527s","","","0.71073","MoKα","","0.06","0.0389","","","0.0868","0.0958","","","","","","1.018","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326702","20.961","0.003","20.961","0.003","7.9322","0.0016","90","","90","","90","","3485.1","1","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H20 N24 O2 Zn2 -","- C32 H20 N24 O2 Zn2 -","- C128 H80 N96 O8 Zn8 -","4","0.5","","Tong-Liang Hu; Ying Tao; Ze Chang; Xian-He Bu","Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand Showing Various Structures: Impact of Reaction Conditions on the Final Product Structures","Inorganic Chemistry","2011","50","","10994","11003","10.1021/ic2015463","","","0.71073","MoKα","","0.0819","0.0602","","","0.0877","0.0934","","","","","","1.207","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326703","11.06","0.002","7.7694","0.0016","12.055","0.002","90","","114.69","0.03","90","","941.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 N12 O Zn -","- C17 H12 N12 O Zn -","- C34 H24 N24 O2 Zn2 -","2","1","","Tong-Liang Hu; Ying Tao; Ze Chang; Xian-He Bu","Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand Showing Various Structures: Impact of Reaction Conditions on the Final Product Structures","Inorganic Chemistry","2011","50","","10994","11003","10.1021/ic2015463","","","0.71073","MoKα","","0.0668","0.0506","","","0.0761","0.0807","","","","","","1.049","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326704","8.0503","0.0016","8.8185","0.0018","22.972","0.005","90","","90","","90","","1630.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H8 N12 O0 Zn -","- C16 H8 N12 Zn -","- C64 H32 N48 Zn4 -","4","1","","Tong-Liang Hu; Ying Tao; Ze Chang; Xian-He Bu","Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand Showing Various Structures: Impact of Reaction Conditions on the Final Product Structures","Inorganic Chemistry","2011","50","","10994","11003","10.1021/ic2015463","","","0.71073","MoKα","","0.0329","0.0301","","","0.0727","0.074","","","","","","1.074","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326705","13.551","0.003","16.181","0.003","16.54","0.003","109.46","0.03","101.21","0.03","109.75","0.03","3019.7","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 N38 O3 Zn3 -","- C54 H38 N38 O3 Zn3 -","- C108 H76 N76 O6 Zn6 -","2","1","","Tong-Liang Hu; Ying Tao; Ze Chang; Xian-He Bu","Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand Showing Various Structures: Impact of Reaction Conditions on the Final Product Structures","Inorganic Chemistry","2011","50","","10994","11003","10.1021/ic2015463","","","0.71073","MoKα","","0.1216","0.0719","","","0.1272","0.1445","","","","","","1.078","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326706","6.9797","0.0014","19.094","0.004","7.5079","0.0015","90","","114.759","0.003","90","","908.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cu N3 O4 -","- C7 H7 Cu N3 O4 -","- C28 H28 Cu4 N12 O16 -","4","1","","Juan Xiao; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Solvent Induced Diverse Dimensional Coordination Assemblies of Cupric Benzotriazole-5-carboxylate: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2011","50","","11032","11038","10.1021/ic201571n","","","0.71073","MoKα","","0.0775","0.07","","","0.1376","0.1419","","","","","","1.042","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326707","28.4502","0.0018","28.4502","0.0018","7.149","0.0009","90","","90","","90","","5786.5","0.9","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C56 H112 Cu8 N24 O60 -","- C56 H112.16 Cu8 N24 O60.08 -","- C112 H224.32 Cu16 N48 O120.16 -","2","0.0625","","Juan Xiao; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Solvent Induced Diverse Dimensional Coordination Assemblies of Cupric Benzotriazole-5-carboxylate: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2011","50","","11032","11038","10.1021/ic201571n","","","0.71073","MoKα","","0.0781","0.0696","","","0.1923","0.2106","","","","","","1.055","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326708","23.9647","0.001","23.9647","0.001","40.979","0.003","90","","90","","120","","20381.5","1.9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C14 H11.5 Cl0.5 Cu2.5 N6 O7 -","- C14 H11.5 Cl0.5 Cu2.5 N6 O7 -","- C504 H414 Cl18 Cu90 N216 O252 -","36","1","","Juan Xiao; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Solvent Induced Diverse Dimensional Coordination Assemblies of Cupric Benzotriazole-5-carboxylate: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2011","50","","11032","11038","10.1021/ic201571n","","","0.71073","MoKα","","0.0765","0.0597","","","0.1563","0.1669","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326709","16.1105","0.0005","11.2846","0.0004","15.6565","0.0005","90","","107.984","0.002","90","","2707.3","0.16","110","2","110","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H51 B Cl N P2 Ru -","- C20 H51 B Cl N P2 Ru -","- C80 H204 B4 Cl4 N4 P8 Ru4 -","4","1","","Gaëtan Bénac-Lestrille; Ulrike Helmstedt; Laure Vendier; Gilles Alcaraz; Eric Clot; Sylviane Sabo-Etienne","Dimethylaminoborane (H2BNMe2) Coordination to Late Transition Metal Centers: Snapshots of the B-H Oxidative Addition Process.","Inorganic Chemistry","2011","50","","11039","11045","10.1021/ic201573q","","","0.71073","MoKα","","0.0214","0.0179","","","0.0443","0.0463","","","","","","1.031","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326710","11.819","0.004","11.819","0.004","11.476","0.002","90","","90","","120","","1388.3","0.7","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- Cl6 Cs11 Na3 O36 V15 -","- Cl6 Cs11 Na3 O36 V15 -","- Cl6 Cs11 Na3 O36 V15 -","1","0.0833333","","Wendy L. Queen; J. Palmer West; Joan Hudson; Shiou-Jyh Hwu","Extended Utility of Molten-Salt Chemistry: Unprecedented Synthesis of a Water-Soluble Salt-Inclusion Solid Comprised of High-Nuclearity Vanadium Oxide Clusters","Inorganic Chemistry","2011","50","","11064","11068","10.1021/ic201605w","","","0.71073","MoKα","","0.0374","0.0359","","","0.1009","0.1032","","","","","","1.038","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326711","8.81","0.0007","15.981","0.0008","10.112","0.0006","90","","91.449","0.004","90","","1423.24","0.16","180","2","180","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C21 H28 N5 Ni O15 Y -","- C21 H28 N5 Ni O15 Y -","- C42 H56 N10 Ni2 O30 Y2 -","2","1","","Rémi Maurice; Laure Vendier; Jean-Pierre Costes","Magnetic Anisotropy in NiII-YIII Binuclear Complexes: On the Importance of Both the First Coordination Sphere of the NiII Ion and the YIII Ion Belonging to the Second Coordination Sphere","Inorganic Chemistry","2011","50","","11075","11081","10.1021/ic201623e","","","0.71073","MoKα","","0.0452","0.0273","","","0.043","0.0457","","","","","","0.817","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326712","15.8574","0.001","19.5918","0.0012","16.2711","0.0011","90","","90.944","0.004","90","","5054.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H84 Fe4 N2 S8 -","- C36 H84 Fe4 N2 S8 -","- C144 H336 Fe16 N8 S32 -","4","1","","Wayne Lo; Shaw Huang; Shao-Liang Zheng; R. H. Holm","Cubane-Type Fe4S4 Clusters with Chiral Thiolate Ligation: Formation by Ligand Substitution, Detection of Intermediates by 1H NMR, and Solid State Structures Including Spontaneous Resolution Upon Crystallization","Inorganic Chemistry","2011","50","","11082","11090","10.1021/ic2016269","","","0.71073","MoKα","","0.1056","0.0615","","","0.1432","0.1677","","","","","","1.007","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326713","11.5438","0.0006","22.6639","0.0012","21.534","0.0012","90","","92.943","0.003","90","","5626.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H76 Fe4 N2 S8 -","- C48 H76 Fe4 N2 S8 -","- C192 H304 Fe16 N8 S32 -","4","1","","Wayne Lo; Shaw Huang; Shao-Liang Zheng; R. H. Holm","Cubane-Type Fe4S4 Clusters with Chiral Thiolate Ligation: Formation by Ligand Substitution, Detection of Intermediates by 1H NMR, and Solid State Structures Including Spontaneous Resolution Upon Crystallization","Inorganic Chemistry","2011","50","","11082","11090","10.1021/ic2016269","","","0.71073","MoKα","","0.141","0.0776","","","0.1668","0.1896","","","","","","1.089","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326714","9.1017","0.0013","5.6379","0.0009","11.5149","0.0017","90","","90","","90","","590.88","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au4.3 In1.7 Sr -","- Au4.3 In1.7 Sr -","- Au17.2 In6.8 Sr4 -","4","0.5","","Qisheng Lin; John D. Corbett","Exploratory Syntheses and Structures of SrAu4.3In1.7 and CaAg3.5In1.9: Electron-Poor Intermetallics with Diversified Polyanionic Frameworks That Are Derived from the CaAu4In2 Approximant","Inorganic Chemistry","2011","50","","11091","11098","10.1021/ic2016275","","","0.71073","MoKα","","0.0615","0.0584","","","0.1487","0.1499","","","","","","1.245","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326715","20.66","0.003","20.66","0.003","9.41","0.0019","90","","90","","120","","3478.4","1","293","2","293","2","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ca25.82 Cd140.99 -","- Ca25.8 Cd140.82 -","- Ca25.8 Cd140.82 -","1","0.0416667","","Qisheng Lin; John D. Corbett","Exploratory Syntheses and Structures of SrAu4.3In1.7 and CaAg3.5In1.9: Electron-Poor Intermetallics with Diversified Polyanionic Frameworks That Are Derived from the CaAu4In2 Approximant","Inorganic Chemistry","2011","50","","11091","11098","10.1021/ic2016275","","","0.71073","MoKα","","0.0386","0.0375","","","0.0775","0.0787","","","","","","1.147","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326716","5.322","0.0003","6.4969","0.0004","8.3672","0.0005","107.982","0.002","90.171","0.002","102.583","0.002","267.8","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- Au Li O14 S4 -","- Au Li O14 S4 -","- Au Li O14 S4 -","1","0.5","","Christian Logemann; Mathias S. Wickleder","The Unique bis-(Disulfato)-aurate Anion [Au(S2O7)2]-: Synthesis and Characterization of Li[Au(S2O7)2] and Na[Au(S2O7)2]","Inorganic Chemistry","2011","50","","11111","11116","10.1021/ic201671w","","","0.71073","MoKα","","0.0202","0.0202","","","0.0487","0.0487","","","","","","1.074","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326717","5.3331","0.0003","11.9338","0.0007","9.0767","0.0005","90","","98.548","0.003","90","","571.26","0.06","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Au Na O14 S4 -","- Au Na O14 S4 -","- Au2 Na2 O28 S8 -","2","0.5","","Christian Logemann; Mathias S. Wickleder","The Unique bis-(Disulfato)-aurate Anion [Au(S2O7)2]-: Synthesis and Characterization of Li[Au(S2O7)2] and Na[Au(S2O7)2]","Inorganic Chemistry","2011","50","","11111","11116","10.1021/ic201671w","","","0.71073","MoKα","","0.014","0.0123","","","0.028","0.0291","","","","","","1.072","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326718","4.7236","0.0003","4.7236","0.0003","7.6512","0.001","90","","90","","120","","147.84","0.02","173","2","173","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Bi2 Ca Mg2 -","- Bi2 Ca Mg2 -","- Bi2 Ca Mg2 -","1","0.0833333","","Andrew F. May; Michael A. McGuire; David J. Singh; Radu Custelcean; Gerald E. Jellison","Structure and Properties of Single Crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2","Inorganic Chemistry","2011","50","","11127","11133","10.1021/ic2016808","","","0.71073","MoKα","","0.0146","0.0142","","","0.0326","0.0327","","","","","","1.209","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326719","4.7716","0.0003","4.7716","0.0003","7.8365","0.0012","90","","90","","120","","154.52","0.03","173","2","173","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Bi2 Eu Mg2 -","- Bi2 Eu Mg2 -","- Bi2 Eu Mg2 -","1","0.0833333","","Andrew F. May; Michael A. McGuire; David J. Singh; Radu Custelcean; Gerald E. Jellison","Structure and Properties of Single Crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2","Inorganic Chemistry","2011","50","","11127","11133","10.1021/ic2016808","","","0.71073","MoKα","","0.0192","0.0192","","","0.0486","0.0486","","","","","","1.189","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326720","4.7258","0.0004","4.7258","0.0004","7.6453","0.0014","90","","90","","120","","147.87","0.03","173","2","173","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Bi2 Mg2 Yb -","- Bi2 Mg2 Yb -","- Bi2 Mg2 Yb -","1","0.0833333","","Andrew F. May; Michael A. McGuire; David J. Singh; Radu Custelcean; Gerald E. Jellison","Structure and Properties of Single Crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2","Inorganic Chemistry","2011","50","","11127","11133","10.1021/ic2016808","","","0.71073","MoKα","","0.0172","0.0172","","","0.0436","0.0437","","","","","","1.071","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326721","4.3923","0.0002","4.3923","0.0002","21.3004","0.0008","90","","90","","120","","355.88","0.03","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","praseodymium cadmium arsenide (1/3/3)","praseodymium cadmium arsenide (1/3/3)","","- As3 Cd3 Pr -","- As2.99 Cd2.99 Pr -","- As5.98 Cd5.98 Pr2 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0684","0.0666","","","0.1765","0.177","","","","","","1.398","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326722","12.5935","0.0008","4.1054","0.0003","11.5968","0.0007","90","","90","","90","","599.57","0.07","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum zinc arsenide (1/3/3)","lanthanum zinc arsenide (1/3/3)","","- As3 La Zn3 -","- As3 La Zn3 -","- As12 La4 Zn12 -","4","0.5","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.017","0.0162","","","0.0342","0.0344","","","","","","1.265","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326723","4.1709","0.0002","4.1709","0.0002","20.4429","0.001","90","","90","","120","","307.99","0.03","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","praseodymium zinc arsenide (1/3/3)","praseodymium zinc arsenide (1/3/3)","","- As3 Pr Zn3 -","- As2.99 Pr Zn2.99 -","- As5.98 Pr2 Zn5.98 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0748","0.0748","","","0.1915","0.1915","","","","","","1.393","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326724","4.1655","0.0002","4.1655","0.0002","20.4267","0.0009","90","","90","","120","","306.95","0.02","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","neodymium zinc arsenide (1/3/3)","neodymium zinc arsenide (1/3/3)","","- As3 Nd Zn3 -","- As2.99 Nd Zn2.99 -","- As5.98 Nd2 Zn5.98 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0739","0.0739","","","0.1932","0.1932","","","","","","1.48","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326725","4.1501","0.0002","4.1501","0.0002","20.357","0.0008","90","","90","","120","","303.64","0.02","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","samarium zinc arsenide (1/3/3)","samarium zinc arsenide (1/3/3)","","- As3 Sm Zn3 -","- As2.99 Sm Zn2.99 -","- As5.98 Sm2 Zn5.98 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0735","0.0735","","","0.1921","0.1921","","","","","","1.504","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326726","4.419","0.0003","4.419","0.0003","21.4407","0.0013","90","","90","","120","","362.59","0.04","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","lanthanum cadmium arsenide (1/3/3)","lanthanum cadmium arsenide (1/3/3)","","- As3 Cd3 La -","- As2.99 Cd2.99 La -","- As5.98 Cd5.98 La2 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0797","0.0785","","","0.2251","0.2255","","","","","","1.247","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326727","4.405","0.0001","4.405","0.0001","21.3511","0.0007","90","","90","","120","","358.792","0.016","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","cerium cadmium arsenide (1/3/3)","cerium cadmium arsenide (1/3/3)","","- As3 Cd3 Ce -","- As2.99 Cd2.99 Ce -","- As5.98 Cd5.98 Ce2 -","2","0.0833333","","Stanislav S. Stoyko; Arthur Mar","Ternary Rare-Earth Arsenides REZn3As3 (RE = La-Nd, Sm) and RECd3As3 (RE = La-Pr)","Inorganic Chemistry","2011","50","","11152","11161","10.1021/ic201708x","","","0.71073","MoKα","","0.0732","0.0728","","","0.2122","0.2124","","","","","","1.342","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326728","9.767","0.004","17.615","0.008","23.233","0.01","90","","100.66","0.005","90","","3928","3","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H10 O3 S2 -","- C72 H10 O3 S2 -","- C288 H40 O12 S8 -","4","1","","Li-Cheng Song; Xu-Feng Liu; Zhao-Jun Xie; Fei-Xian Luo; Hai-Bin Song","Synthesis and Structural Characterization of Some New Porphyrin-Fullerene Dyads and Their Application in Photoinduced H2 Evolution","Inorganic Chemistry","2011","50","","11162","11172","10.1021/ic201713x","","","0.7107","MoKα","","0.0878","0.0747","","","0.1848","0.1945","","","","","","1.204","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326729","22.499","0.015","13.855","0.008","27.354","0.017","90","","95.79","0.007","90","","8483","9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H37 N5 O3 Zn -","- C114 H37 N5 O3 Zn -","- C456 H148 N20 O12 Zn4 -","4","1","","Li-Cheng Song; Xu-Feng Liu; Zhao-Jun Xie; Fei-Xian Luo; Hai-Bin Song","Synthesis and Structural Characterization of Some New Porphyrin-Fullerene Dyads and Their Application in Photoinduced H2 Evolution","Inorganic Chemistry","2011","50","","11162","11172","10.1021/ic201713x","","","0.7107","MoKα","","0.1684","0.1358","","","0.3272","0.3522","","","","","","1.15","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326730","11.224","0.002","37.52","0.008","10.579","0.002","90","","100.64","0.03","90","","4378.5","1.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 N4 O5 Zn -","- C52 H40 N4 O5 Zn -","- C208 H160 N16 O20 Zn4 -","4","1","","Li-Cheng Song; Xu-Feng Liu; Zhao-Jun Xie; Fei-Xian Luo; Hai-Bin Song","Synthesis and Structural Characterization of Some New Porphyrin-Fullerene Dyads and Their Application in Photoinduced H2 Evolution","Inorganic Chemistry","2011","50","","11162","11172","10.1021/ic201713x","","","0.71073","MoKα","","0.091","0.0694","","","0.1817","0.2003","","","","","","1.102","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326731","13.0005","0.0005","21.2408","0.001","21.7244","0.0009","90","","90","","90","","5999","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C57 H49 Ag2 Cl3 N12 O6 P2 S2 -","- C57 H49 Ag2 Cl3 N12 O6 P2 S2 -","- C228 H196 Ag8 Cl12 N48 O24 P8 S8 -","4","1","","Claudio Pettinari; Fabio Marchetti; Giulio Lupidi; Luana Quassinti; Massimo Bramucci; Dezemona Petrelli; Luca A. Vitali; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Piotr Smoleński; Armando J. L. Pombeiro","Synthesis, Antimicrobial and Antiproliferative Activity of Novel Silver(I) Tris(pyrazolyl)methanesulfonate and 1,3,5-Triaza-7-phosphadamantane Complexes","Inorganic Chemistry","2011","50","","11173","11183","10.1021/ic201714c","","","0.71069","MoKα","","0.0829","0.0451","","","0.07","0.0778","","","","","","1","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326732","12.6027","0.0003","15.1631","0.0005","16.2546","0.0005","90","","104.472","0.002","90","","3007.63","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Ag N6 O3 P S -","- C28 H42 Ag N6 O3 P S -","- C112 H168 Ag4 N24 O12 P4 S4 -","4","1","","Claudio Pettinari; Fabio Marchetti; Giulio Lupidi; Luana Quassinti; Massimo Bramucci; Dezemona Petrelli; Luca A. Vitali; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Piotr Smoleński; Armando J. L. Pombeiro","Synthesis, Antimicrobial and Antiproliferative Activity of Novel Silver(I) Tris(pyrazolyl)methanesulfonate and 1,3,5-Triaza-7-phosphadamantane Complexes","Inorganic Chemistry","2011","50","","11173","11183","10.1021/ic201714c","","","0.71069","MoKα","","0.0589","0.0341","","","0.0745","0.0814","","","","","","0.964","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326733","7.1753","0.0007","15.0485","0.0012","41.898","0.004","90","","90","","90","","4524","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H21 Ag N9 O3 P S -","- C16 H21 Ag N9 O3 P S -","- C128 H168 Ag8 N72 O24 P8 S8 -","8","1","","Claudio Pettinari; Fabio Marchetti; Giulio Lupidi; Luana Quassinti; Massimo Bramucci; Dezemona Petrelli; Luca A. Vitali; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Piotr Smoleński; Armando J. L. Pombeiro","Synthesis, Antimicrobial and Antiproliferative Activity of Novel Silver(I) Tris(pyrazolyl)methanesulfonate and 1,3,5-Triaza-7-phosphadamantane Complexes","Inorganic Chemistry","2011","50","","11173","11183","10.1021/ic201714c","","","0.71073","MoKα","","0.0613","0.0519","","","0.1439","0.1502","","","","","","1.004","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326734","56.607","0.006","56.607","","56.607","","90","","90","","90","","181389","19","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C44 H28 Cu2 O10 -","- C44 H24 Cu2 O10 -","- C2112 H1152 Cu96 O480 -","48","0.25","","Daqiang Yuan; Dan Zhao; Hong-Cai Zhou","Pressure-Responsive Curvature Change of a ""Rigid"" Geodesic Ligand in a (3,24)-Connected Mesoporous Metal-Organic Framework","Inorganic Chemistry","2011","50","","10528","10530","10.1021/ic201744n","","","0.41328","synchrotron","","0.1602","0.1186","","","0.2971","0.3156","","","","","","1.129","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326735","19.9314","0.0007","19.9314","0.0007","32.9481","0.0016","90","","90","","120","","11335.4","0.8","172","2","172","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C30.33 H20.67 Cl0.67 Ir N3 O2 -","- C30.33 H20.68 Cl0.66 Ir N3 O2 -","- C545.94 H372.24 Cl11.88 Ir18 N54 O36 -","18","0.5","","Shu Qinghai; Jan W. Bats; Michael Schmittel","Two Closely Related Iridium(III) Complexes as Colorimetric and Fluorometric Chemodosimeters for Nitrite in Aqueous Solution Operating along Different Modes of Action","Inorganic Chemistry","2011","50","","10531","10533","10.1021/ic201753v","","","0.71073","MoKα","","0.0819","0.0447","","","0.0658","0.0729","","","","","","1.098","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326736","13.8749","0.0006","10.3972","0.0005","20.9243","0.001","90","","107.309","0.001","90","","2881.8","0.2","169","2","169","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Ir2 N12 Na2 O12 -","- C56 H60 Ir2 N12 Na2 O12 -","- C112 H120 Ir4 N24 Na4 O24 -","2","0.5","","Shu Qinghai; Jan W. Bats; Michael Schmittel","Two Closely Related Iridium(III) Complexes as Colorimetric and Fluorometric Chemodosimeters for Nitrite in Aqueous Solution Operating along Different Modes of Action","Inorganic Chemistry","2011","50","","10531","10533","10.1021/ic201753v","","","0.71073","MoKα","","0.0682","0.031","","","0.0488","0.0555","","","","","","1.011","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326737","25.6065","0.0004","25.6065","0.0004","25.6065","0.0004","90","","90","","90","","16790","0.5","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","IRMOF(1:2)-pent-T1","","","- C96 H0 N6 O52 Zn16 -","- C96 O52 Zn16 -","- C192 O104 Zn32 -","2","0.0104167","","Chao Chen; Corinne A. Allen; Seth M. Cohen","Tandem Postsynthetic Modification of Metal-Organic Frameworks Using an Inverse-Electron-Demand Diels-Alder Reaction","Inorganic Chemistry","2011","50","","10534","10536","10.1021/ic2017598","","","0.71073","MoKα","","0.0887","0.0758","","","0.2047","0.2178","","","","","","0.959","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326738","40.9234","0.0003","40.9234","0.0003","17.3329","0.0003","90","","90","","120","","25138.8","0.5","200","2","200","2","","","","","","","","5","P 63/m","-P 6c","176","UMCM-1-AMPent-T1","","","- C46 H0 N O13 Zn4 -","- C46 N O13 Zn4 -","- C276 N6 O78 Zn24 -","6","0.5","","Chao Chen; Corinne A. Allen; Seth M. Cohen","Tandem Postsynthetic Modification of Metal-Organic Frameworks Using an Inverse-Electron-Demand Diels-Alder Reaction","Inorganic Chemistry","2011","50","","10534","10536","10.1021/ic2017598","","","1.54178","CuKα","","0.0873","0.0521","","","0.1424","0.1533","","","","","","0.938","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326739","5.66454","0.00023","9.82816","0.00032","4.79868","0.00021","90","","90","","90","","267.152","0.018","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H5 Co O4 P -","- C2 Co O4 P -","- C4 Co2 O8 P2 -","2","0.5","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","powder diffraction","x-ray","1.5406","","","","","","","","","0.1156","","1.41","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326740","5.59305","0.00011","9.80728","0.00019","4.74367","0.00013","90","","90","","90","","260.203","0.01","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H5 Ni O4 P -","- C2 Ni O4 P -","- C4 Ni2 O8 P2 -","2","0.5","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","powder diffraction","x-ray","1.5406","","","","","","","","","0.0857","","0.35","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326741","5.92778","0.00025","9.94346","0.0003","5.0314","0.00027","90","","90","","90","","296.56","0.02","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H5 Cd O4 P -","- C2 Cd O4 P -","- C4 Cd2 O8 P2 -","2","0.5","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","powder diffraction","x-ray","1.5406","","","","","","","","","0.31215","","0.24","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326742","4.9388","0.0011","15.844","0.004","5.7119","0.0013","90","","92.201","0.012","90","","446.63","0.18","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H9 Co O4 P -","- C8 H9 Co O4 P -","- C16 H18 Co2 O8 P2 -","2","1","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","","","1.54178","CuKα","","0.0767","0.0723","","","0.1822","0.1887","","","","","","1.008","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326743","5.1833","0.00024","15.3959","0.0006","5.94963","0.00025","90","","94.534","0.004","90","","473.3","0.03","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H9 Cd O4 P -","- C8 Cd O4 P -","- C16 Cd2 O8 P2 -","2","1","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","powder diffraction","x-ray","1.5406","","","","","","","","","0.11583","","5.29","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326744","5.3436","0.0003","16.8317","0.0007","6.0766","0.0003","90","","109.478","0.003","90","","515.26","0.05","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 Cu2 O4 P -","- C2 H4 Cu2 O4 P -","- C8 H16 Cu8 O16 P4 -","4","1","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","","","1.54178","CuKα","","0.0394","0.0378","","","0.1051","0.1065","","","","","","1.09","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326745","5.7012","0.0009","9.778","0.002","4.8049","0.0009","90","","90","","90","","267.86","0.09","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H3 Fe O4 P -","- C2 H3 Fe O4 P -","- C4 H6 Fe2 O8 P2 -","2","0.5","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","","","0.71073","MoKα","","0.0795","0.0593","","","0.1286","0.1409","","","","","","1.071","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326746","5.67","0.0004","9.708","0.0007","4.7747","0.0003","90","","90","","90","","262.82","0.03","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H5 O4 P Zn -","- C2 H3 O4 P Zn -","- C4 H6 O8 P2 Zn2 -","2","0.5","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","","","0.71073","MoKα","","0.0513","0.0407","","","0.0904","0.096","","","","","","1.166","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326747","19.9834","0.0004","19.9834","0.0004","6.8829","0.0002","90","","90","","120","","2380.35","0.1","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 H3 O3 P Pb -","- C2 H3 O3 P Pb -","- C36 H54 O54 P18 Pb18 -","18","1","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","","","1.54178","CuKα","","0.0468","0.0457","","","0.1143","0.1155","","","","","","1.114","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326748","19.192","0.005","7.563","0.005","22.219","0.005","90","0.005","91.09","0.005","90","0.005","3224","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 I2 N2 P Zr -","- C32 H35 I2 N2 P Zr -","- C128 H140 I8 N8 P4 Zr4 -","4","1","","Ting Zhu; Truman C. Wambach; Michael D. Fryzuk","New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex","Inorganic Chemistry","2011","50","","11212","11221","10.1021/ic201762r","","","0.71073","MoKα","","0.0214","0.0193","","","0.0486","0.0499","","","","","","1.127","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326749","12.976","0.004","14.267","0.005","19.098","0.007","90","","90","","90","","3536","2","293","2","293","2","","","","","","","","6","P c m n","-P 2n 2ac","62","Cy5[NPN]DMPZrCl2","","","- C38 H41 Cl2 N2 P Zr -","- C38 H41 Cl2 N2 P Zr -","- C152 H164 Cl8 N8 P4 Zr4 -","4","0.5","","Ting Zhu; Truman C. Wambach; Michael D. Fryzuk","New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex","Inorganic Chemistry","2011","50","","11212","11221","10.1021/ic201762r","","","0.71069","MoKα","","0.026","0.0216","","","0.059","0.061","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326750","11.5299","0.0004","11.7212","0.0004","12.907","0.0005","89.473","0.002","88.11","0.002","72.927","0.002","1666.53","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H47 N4 P Zr -","- C36 H47 N4 P Zr -","- C72 H94 N8 P2 Zr2 -","2","1","","Ting Zhu; Truman C. Wambach; Michael D. Fryzuk","New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex","Inorganic Chemistry","2011","50","","11212","11221","10.1021/ic201762r","","","0.71073","MoKα","","0.0229","0.0209","","","0.0543","0.0553","","","","","","1.062","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326751","10.9989","0.0004","17.8519","0.0006","21.476","0.0009","99.108","0.002","99.135","0.002","90.293","0.002","4108.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H63 N4 P Zr -","- C44 H63 N4 P Zr -","- C176 H252 N16 P4 Zr4 -","4","2","","Ting Zhu; Truman C. Wambach; Michael D. Fryzuk","New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex","Inorganic Chemistry","2011","50","","11212","11221","10.1021/ic201762r","","","0.71069","MoKα","","0.0742","0.0407","","","0.0806","0.0878","","","","","","0.985","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326752","16.5347","0.0014","19.8606","0.0016","12.7659","0.001","90","","91.719","0.004","90","","4190.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H57 Cl2 N2 P Zr -","- C46 H57 Cl2 N2 P Zr -","- C184 H228 Cl8 N8 P4 Zr4 -","4","1","","Ting Zhu; Truman C. Wambach; Michael D. Fryzuk","New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex","Inorganic Chemistry","2011","50","","11212","11221","10.1021/ic201762r","","","0.71073","MoKα","","0.0511","0.0365","","","0.0875","0.0978","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326753","15.258","0.003","10.699","0.002","21.645","0.006","90","","91.872","0.007","90","","3531.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 N2 P -","- C40 H53 N2 P -","- C160 H212 N8 P4 -","4","1","","Ting Zhu; Truman C. Wambach; Michael D. Fryzuk","New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex","Inorganic Chemistry","2011","50","","11212","11221","10.1021/ic201762r","","","0.71073","MoKα","","0.0654","0.0462","","","0.1056","0.1171","","","","","","1.024","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326754","17.223","0.005","10.478","0.005","15.969","0.005","90","0.005","112.681","0.005","90","0.005","2658.9","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N2 O0.25 P -","- C32 H37 N2 O0.128 P -","- C128 H148 N8 O0.512 P4 -","4","1","","Ting Zhu; Truman C. Wambach; Michael D. Fryzuk","New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex","Inorganic Chemistry","2011","50","","11212","11221","10.1021/ic201762r","","","0.71069","MoKα","","0.0815","0.0528","","","0.1298","0.1486","","","","","","1.033","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326755","25.1464","0.0007","17.1479","0.0005","18.2636","0.0005","90","","107.616","0.001","90","","7506.1","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{Cy5[NPN]DMPZr(THF)}2(mu-eta2:eta2-N2)","","","- C38 H47 N3 O1.5 P Zr -","- C41 H53 N3 O2.5 P Zr -","- C328 H424 N24 O20 P8 Zr8 -","8","1","","Ting Zhu; Truman C. Wambach; Michael D. Fryzuk","New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex","Inorganic Chemistry","2011","50","","11212","11221","10.1021/ic201762r","","","0.71073","MoKα","","0.0578","0.0389","","","0.1113","0.1326","","","","","","1.132","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326756","13.8625","0.0008","10.0064","0.0008","16.7283","0.001","90","","106.967","0.004","90","","2219.4","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","2a","","","- C16 H35 K O7 Si -","- C16 H35 K O7 Si -","- C64 H140 K4 O28 Si4 -","4","1","","David J. Wolstenholme; Paul D. Prince; G. Sean McGrady; Michael J. Landry; Jonathan W. Steed","Structure and Bonding of KSiH3 and Its 18-Crown-6 Derivatives: Unusual Ambidentate Behavior of the SiH3- Anion","Inorganic Chemistry","2011","50","","11222","11227","10.1021/ic201774x","","","0.71073","MoKα","","0.0637","0.0425","","","0.0837","0.0908","","","","","","1.011","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326757","9.4687","0.001","9.4687","0.001","9.4687","0.001","98.201","0.01","98.201","0.01","98.201","0.01","820.06","0.16","115","2","115","2","","","","","","","","5","R 3 m :R","P 3* -2","160","","","","- C30 H43 K O6 Si2 -","- C30 H43 K O6 Si2 -","- C30 H43 K O6 Si2 -","1","0.166667","","David J. Wolstenholme; Paul D. Prince; G. Sean McGrady; Michael J. Landry; Jonathan W. Steed","Structure and Bonding of KSiH3 and Its 18-Crown-6 Derivatives: Unusual Ambidentate Behavior of the SiH3- Anion","Inorganic Chemistry","2011","50","","11222","11227","10.1021/ic201774x","","","0.71073","MoKα","","0.0493","0.0378","","","0.0935","0.0966","","","","","","1.093","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326758","20.6251","0.0016","11.8157","0.0007","39.039","0.002","90","","93.151","0.005","90","","9499.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Mono-Fe","","","- C49 H68 B Fe N10 O3 -","- C49 H57 B Fe N10 O2.5 -","- C392 H456 B8 Fe8 N80 O20 -","8","1","","Yuan-Zhu Zhang; Uma P. Mallik; Nigam P. Rath; Rodolphe Clérac; Stephen M. Holmes","Pyrazolylborates and Their Importance in Tuning Single-Molecule Magnet Properties of {FeIII2NiII} Complexes","Inorganic Chemistry","2011","50","","10537","10539","10.1021/ic2017825","","","0.71073","MoKα","","0.0769","0.0647","","","0.1714","0.1827","","","","","","1.05","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326759","9.8461","0.0005","14.7448","0.0007","17.8744","0.0009","76.591","0.002","78.68","0.002","75.14","0.002","2413.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Linear-Fe2Ni","","","- C96 H122 B2 Fe2 N24 Ni O6 -","- C96 H122 B2 Fe2 N24 Ni O6 -","- C96 H122 B2 Fe2 N24 Ni O6 -","1","0.5","","Yuan-Zhu Zhang; Uma P. Mallik; Nigam P. Rath; Rodolphe Clérac; Stephen M. Holmes","Pyrazolylborates and Their Importance in Tuning Single-Molecule Magnet Properties of {FeIII2NiII} Complexes","Inorganic Chemistry","2011","50","","10537","10539","10.1021/ic2017825","","","0.71073","MoKα","","0.0835","0.0475","","","0.1086","0.1287","","","","","","1.02","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326760","22.5248","0.0004","11.5877","0.0002","14.1166","0.0002","90","","117.648","0.001","90","","3263.86","0.1","100.15","","100.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[Au(im(CH~2~py)~2~)~2~(CuCl)~2~]PF~6~","Bis{μ~2~-η^3^-1,3-bis[(2-pyridyl-1κN)methyl]-2H-imidazol-2- ylidene-1,2κ^2^C}di(chloro-1κ)dicopper(I)gold(I) 2(Au‒Cu) hexafluorophosphate","","- C30 H28 Au Cl2 Cu2 F6 N8 P -","- C30 H28 Au Cl2 Cu2 F6 N8 P -","- C120 H112 Au4 Cl8 Cu8 F24 N32 P4 -","4","0.5","","Christoph E. Strasser; Vincent J. Catalano","Luminescent Copper(I) Halide Adducts of [Au(im(CH2py)2)2]PF6 Exhibiting Short Au(I)...Cu(I) Separations and Unusual Semibridging NHC Ligands","Inorganic Chemistry","2011","50","","11228","11234","10.1021/ic201795b","","","0.71073","MoKα","","0.0533","0.034","","","0.0587","0.0657","","","","","","1.009","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326761","22.6371","0.0009","11.7125","0.0004","13.7305","0.0005","90","","114.51","0.002","90","","3312.4","0.2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[Au(im(CH~2~py)~2~)~2~(CuBr)~2~]PF~6~","Bis[μ~2~-η^3^-1,3-bis[(2-pyridyl-1κN)methyl]-2H-imidazol-2- ylidene-1,2κ^2^C}di(bromo-1κ)dicopper(I)gold(I) 2(Au‒Cu) hexafluorophosphate","","- C30 H28 Au Br2 Cu2 F6 N8 P -","- C30 H28 Au Br2 Cu2 F6 N8 P -","- C120 H112 Au4 Br8 Cu8 F24 N32 P4 -","4","0.5","","Christoph E. Strasser; Vincent J. Catalano","Luminescent Copper(I) Halide Adducts of [Au(im(CH2py)2)2]PF6 Exhibiting Short Au(I)...Cu(I) Separations and Unusual Semibridging NHC Ligands","Inorganic Chemistry","2011","50","","11228","11234","10.1021/ic201795b","","","0.71073","MoKα","","0.0668","0.0397","","","0.0799","0.09","","","","","","1.011","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326762","22.8467","0.0011","11.8198","0.0005","13.8637","0.0006","90","","114.175","0.001","90","","3415.5","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Au Cu2 F6 I2 N8 P -","- C30 H28 Au Cu2 F6 I2 N8 P -","- C120 H112 Au4 Cu8 F24 I8 N32 P4 -","4","0.5","","Christoph E. Strasser; Vincent J. Catalano","Luminescent Copper(I) Halide Adducts of [Au(im(CH2py)2)2]PF6 Exhibiting Short Au(I)...Cu(I) Separations and Unusual Semibridging NHC Ligands","Inorganic Chemistry","2011","50","","11228","11234","10.1021/ic201795b","","","0.71073","MoKα","","0.062","0.0469","","","0.1205","0.1288","","","","","","1.075","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326763","7.4834","0.0002","11.9438","0.0002","23.3998","0.0005","90","","92.978","0.001","90","","2088.66","0.08","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","[Au(im(CH~2~py)~2~)~2~(Cu~2~Br~2~]Br","catena-poly-{μ~3~-η^3^-bis{1,3-bis[(2-pyridyl-1κN)methyl]-1H- imidazol-2-ylidene-2κC}bis(μ-bromo-1κ^2^)di-copper(I) gold(I)}bromide ethanenitrile trisolvate","","- C37 H40 Au Br3 Cu2 N11 -","- C36 H37 Au Br3 Cu2 N11 -","- C72 H74 Au2 Br6 Cu4 N22 -","2","0.5","","Christoph E. Strasser; Vincent J. Catalano","Luminescent Copper(I) Halide Adducts of [Au(im(CH2py)2)2]PF6 Exhibiting Short Au(I)...Cu(I) Separations and Unusual Semibridging NHC Ligands","Inorganic Chemistry","2011","50","","11228","11234","10.1021/ic201795b","","","0.71073","MoKα","","0.0467","0.0367","","","0.0879","0.0922","","","","","","1.058","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326764","6.1031","0.0005","15.5542","0.001","7.6411","0.0005","90","","97.077","0.008","90","","719.83","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- N9 P S -","- N9 P S -","- N36 P4 S4 -","4","1","","Xiaoqing Zeng; Eduard Bernhardt; Helmut Beckers; Helge Willner","Synthesis and Characterization of the Phosphorus Triazides OP(N3)3 and SP(N3)3","Inorganic Chemistry","2011","50","","11235","11241","10.1021/ic201802x","","","0.71073","MoKα","","0.0366","0.0299","","","0.0734","0.0772","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326765","7.0591","0.0004","12.1904","0.0005","7.7482","0.0004","90","","111.918","0.006","90","","618.56","0.06","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- N9 O P -","- N9 O P -","- N36 O4 P4 -","4","1","","Xiaoqing Zeng; Eduard Bernhardt; Helmut Beckers; Helge Willner","Synthesis and Characterization of the Phosphorus Triazides OP(N3)3 and SP(N3)3","Inorganic Chemistry","2011","50","","11235","11241","10.1021/ic201802x","","","0.71073","MoKα","","0.0282","0.0254","","","0.0684","0.0708","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326766","4.7482","0.0008","5.4856","0.0008","2.8717","0.0004","90","","90","","90","","74.8","0.02","293","2","293","2","","","","","","","","2","I m m m","-I 2 2","71","","chromium tetraboride","","- B4 Cr -","- B4 Cr -","- B8 Cr2 -","2","0.125","","Arno Knappschneider; Christian Litterscheid; Joshua Kurzman; Ram Seshadri; Barbara Albert","Crystal Structure Refinement and Bonding Patterns of CrB4: A Boron-Rich Boride with a Framework of Tetrahedrally Coordinated B Atoms","Inorganic Chemistry","2011","50","","10540","10542","10.1021/ic2018083","","","0.71073","MoKα","","0.0176","0.0176","","","0.0447","0.0447","","","","","","1.438","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326767","18.3532","0.0018","14.7661","0.0014","9.5624","0.0009","90","","90","","90","","2591.5","0.4","100","2","100","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H33 Cl3 Fe3 Mo N3 S4 -","- C15 H33 Cl3 Fe3 Mo N3 S4 -","- C60 H132 Cl12 Fe12 Mo4 N12 S16 -","4","0.5","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.0713","0.0687","","","0.1662","0.1683","","","","","","1.062","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326768","10.314","0.004","17.255","0.007","19.572","0.009","90","","93.301","0.009","90","","3477","3","100","1","100","1","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C45 H88 Cl4 Fe4 Mo2 N6 O3 S8 -","- C45 H88 Cl4 Fe4 Mo2 N6 O3 S8 -","- C90 H176 Cl8 Fe8 Mo4 N12 O6 S16 -","2","0.5","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.104","0.0638","","","0.1301","0.1451","","","","","","1.082","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326769","9.8517","0.0008","19.9821","0.0017","17.4884","0.0015","90","","90.024","0.002","90","","3442.7","0.5","100","2","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Cl2 Fe3 Mo N3 S4 Se -","- C21 H38 Cl2 Fe3 Mo N3 S4 Se -","- C84 H152 Cl8 Fe12 Mo4 N12 S16 Se4 -","4","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.166","0.0801","","","0.1446","0.1633","","","","","","1.086","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326770","12.296","0.003","18.323","0.004","19.022","0.004","81.471","0.003","76.904","0.003","78.096","0.003","4061.2","1.6","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C68 H99 Fe6 Mo2 N7 S12 Se2 -","- C68 H99 Fe6 Mo2 N7 S12 Se2 -","- C136 H198 Fe12 Mo4 N14 S24 Se4 -","2","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.1093","0.0732","","","0.193","0.2171","","","","","","1.099","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326771","13.1604","0.0018","19","0.003","19.816","0.003","90","","93.553","0.002","90","","4945.4","1.3","100","1","100","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C31 H67 Fe3 Mo N6 Na O S6 Se -","- C31 H67 Fe3 Mo N6 Na O S6 Se -","- C124 H268 Fe12 Mo4 N24 Na4 O4 S24 Se4 -","4","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.1183","0.0778","","","0.1927","0.218","","","","","","1.082","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326772","13.137","0.003","20.952","0.005","16.063","0.004","90","","96.336","0.004","90","","4394.3","1.8","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 Fe3 Mo N5 S7 -","- C37 H54 Fe3 Mo N5 S7 -","- C148 H216 Fe12 Mo4 N20 S28 -","4","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.1177","0.0672","","","0.1573","0.1817","","","","","","1.047","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326773","9.829","0.003","19.873","0.006","16.963","0.005","90","","90.663","0.004","90","","3313.2","1.7","100","2","100","1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C40 H77 Cl5 Fe5 Mo2 N8 S8 -","- C40 H77 Cl5 Fe5 Mo2 N8 S8 -","- C80 H154 Cl10 Fe10 Mo4 N16 S16 -","2","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.1406","0.0929","","","0.2261","0.2492","","","","","","1.028","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326774","13.14","0.0015","18.913","0.002","19.779","0.002","90","","93.348","0.002","90","","4907","0.9","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H67 Fe3 Mo N6 Na O S7 -","- C31 H67 Fe3 Mo N6 Na O S7 -","- C124 H268 Fe12 Mo4 N24 Na4 O4 S28 -","4","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.1111","0.0785","","","0.207","0.2336","","","","","","1.066","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326775","14.516","0.003","10.013","0.002","14.518","0.003","90","","112.545","0.003","90","","1948.9","0.7","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H38 Cl2 Fe3 Mo N3 S5 -","- C21 H38 Cl2 Fe3 Mo N3 S5 -","- C42 H76 Cl4 Fe6 Mo2 N6 S10 -","2","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.0996","0.0787","","","0.2229","0.2349","","","","","","1.065","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326776","13.1609","0.0017","20.997","0.003","16.036","0.002","90","","96.772","0.002","90","","4400.5","1","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 Fe3 N5 S7 W -","- C37 H54 Fe3 N5 S7 W -","- C148 H216 Fe12 N20 S28 W4 -","4","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.0347","0.0299","","","0.0803","0.0844","","","","","","1.057","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326777","16.8467","0.0018","17.2248","0.0019","20.769","0.002","90","","90","","90","","6026.8","1.1","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H43 Mo N4 O2 P S3 -","- C24 H43 Mo N4 O2 P S3 -","- C192 H344 Mo8 N32 O16 P8 S24 -","8","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.0831","0.0753","","","0.2177","0.2231","","","","","","1.091","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326778","9.8714","0.0019","10.0395","0.0019","19.241","0.003","90","","120.723","0.007","90","","1639.2","0.5","100","1","100","1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C21 H48 Fe3 Mo N3 S7 -","- C21 H48 Fe3 Mo N3 S7 -","- C42 H96 Fe6 Mo2 N6 S14 -","2","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.1325","0.0973","","","0.201","0.2201","","","","","","1.035","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326779","9.9215","0.001","20.895","0.002","17.3048","0.0018","90","","91.424","0.002","90","","3586.3","0.6","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H94 Fe6 Mo2 N6 Na2 O S12 Se2 -","- C40 H94 Fe6 Mo2 N6 Na2 O S12 Se2 -","- C80 H188 Fe12 Mo4 N12 Na4 O2 S24 Se4 -","2","0.5","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.0721","0.0683","","","0.1942","0.1972","","","","","","1.077","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326780","9.8665","0.0014","20.871","0.003","17.322","0.002","90","","91.349","0.003","90","","3566","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H94 Fe6 Mo2 N6 Na2 O S14 -","- C40 H94 Fe6 Mo2 N6 Na2 O S14 -","- C80 H188 Fe12 Mo4 N12 Na4 O2 S28 -","2","0.5","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.0631","0.0565","","","0.1549","0.1603","","","","","","1.065","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326781","19.982","0.003","16.568","0.002","9.7591","0.0012","90","","90","","90","","3230.9","0.7","15","1","15","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H48 Fe3 N3 S6 Se W -","- C21 H48 Fe3 N3 S6 Se W -","- C84 H192 Fe12 N12 S24 Se4 W4 -","4","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.41328","synchrotron","","0.0681","0.0659","","","0.1967","0.1982","","","","","","1.039","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326782","10.5636","0.0004","11.5438","0.0005","19.1398","0.0008","97.4845","0.0005","99.7811","0.0005","114.993","0.0004","2030.64","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","4","","","- C35 H45 Cl5 N5 P3 -","- C35 H45 Cl5 N5 P3 -","- C70 H90 Cl10 N10 P6 -","2","1","","S. M. Ibrahim Al-Rafia; Michael J. Ferguson; Eric Rivard","Interaction of Carbene and Olefin Donors with [Cl2PN]3: Exploration of a Reductive Pathway toward (PN)3","Inorganic Chemistry","2011","50","","10543","10545","10.1021/ic201812a","","","0.71073","MoKα","","0.0494","0.0429","","","0.12","0.1271","","","","","","1.052","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326783","9.9329","0.0003","12.3748","0.0004","16.5363","0.0005","86.1689","0.0003","76.2264","0.0003","80.9368","0.0003","1948.6","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","1","","","- C34 H44 Cl4 N5 P3 -","- C34 H44 Cl4 N5 P3 -","- C68 H88 Cl8 N10 P6 -","2","1","","S. M. Ibrahim Al-Rafia; Michael J. Ferguson; Eric Rivard","Interaction of Carbene and Olefin Donors with [Cl2PN]3: Exploration of a Reductive Pathway toward (PN)3","Inorganic Chemistry","2011","50","","10543","10545","10.1021/ic201812a","","","0.71073","MoKα","","0.0374","0.0325","","","0.0892","0.0932","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326784","11.5334","0.0002","13.9851","0.0002","24.9658","0.0004","90","","99.585","0.001","90","","3970.66","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2","","","- C34 H44 Cl4 N5 P3 S -","- C34 H44 Cl4 N5 P3 S -","- C136 H176 Cl16 N20 P12 S4 -","4","1","","S. M. Ibrahim Al-Rafia; Michael J. Ferguson; Eric Rivard","Interaction of Carbene and Olefin Donors with [Cl2PN]3: Exploration of a Reductive Pathway toward (PN)3","Inorganic Chemistry","2011","50","","10543","10545","10.1021/ic201812a","","","1.54178","CuKα","","0.0421","0.0392","","","0.1091","0.1126","","","","","","1.066","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326785","9.6785","0.0005","13.9686","0.0008","19.821","0.0011","90","","91.354","0.001","90","","2679","0.3","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 Co2 N10 S4 -","- C16 H18 Co2 N10 S4 -","- C64 H72 Co8 N40 S16 -","4","1","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller","Dinuclear [CoII(NCMe)5CoII(NCS)4] Possessing Octahedral and Tetrahedral CoIISites","Inorganic Chemistry","2011","50","","10546","10548","10.1021/ic201832d","","","0.71073","MoKα","","0.0197","0.0193","","","0.0446","0.045","","","","","","1.032","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326786","22.2299","0.0009","11.6422","0.0005","18.1168","0.0007","90","","96.019","0.001","90","","4662.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 P4 S4 Sn -","- C50 H40 P4 S4 Sn -","- C200 H160 P16 S16 Sn4 -","4","0.5","","Wing-Por Leung; Yuk-Chi Chan; Thomas C. W. Mak","Synthesis and Structural Characterization of a Tin Analogue of Allene","Inorganic Chemistry","2011","50","","10517","10518","10.1021/ic201888d","","","0.71073","MoKα","","0.0303","0.0269","","","0.0703","0.0748","","","","","","1.076","","","","has coordinates","269108","2021-09-13","08:22:43",""
"4326787","5.1165","0.0003","7.9571","0.0005","13.7918","0.0009","90.851","0.006","90.094","0.006","105.522","0.007","540.95","0.06","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H5 B F3 I O4 -","- C8 H5 B F3 I O4 -","- C16 H10 B2 F6 I2 O8 -","2","1","","Victor N. Nemykin; Andrey V. Maskaev; Margarita R. Geraskina; Mekhman S. Yusubov; Viktor V. Zhdankin","Preparation and X-ray Crystal Study of Benziodoxaborole Derivatives: New Hypervalent Iodine Heterocycles","Inorganic Chemistry","2011","50","","11263","11272","10.1021/ic201922n","","","0.71075","MoKα","","0.0375","0.0317","","0.0821","0.0798","0.0821","","","","","","1.0211","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326788","7.4745","0.0004","10.5487","0.0006","11.7411","0.0008","109.722","0.008","99.391","0.007","97.56","0.007","842.22","0.11","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H4 B Cl F I O2 -","- C6 H4 B Cl F I O2 -","- C24 H16 B4 Cl4 F4 I4 O8 -","4","2","","Victor N. Nemykin; Andrey V. Maskaev; Margarita R. Geraskina; Mekhman S. Yusubov; Viktor V. Zhdankin","Preparation and X-ray Crystal Study of Benziodoxaborole Derivatives: New Hypervalent Iodine Heterocycles","Inorganic Chemistry","2011","50","","11263","11272","10.1021/ic201922n","","","0.71073","MoKα","","0.0341","0.0272","","0.0667","0.0649","0.0667","","","","","","0.9739","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326789","9.0868","0.0004","10.372","0.0005","12.512","0.0008","77.436","0.006","81.887","0.006","71.565","0.005","1088.59","0.11","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H4 B F4 I O4 -","- C8 H4 B F4 I O4 -","- C32 H16 B4 F16 I4 O16 -","4","2","","Victor N. Nemykin; Andrey V. Maskaev; Margarita R. Geraskina; Mekhman S. Yusubov; Viktor V. Zhdankin","Preparation and X-ray Crystal Study of Benziodoxaborole Derivatives: New Hypervalent Iodine Heterocycles","Inorganic Chemistry","2011","50","","11263","11272","10.1021/ic201922n","","","0.71075","MoKα","","0.0578","0.0419","","0.0941","0.0845","0.0941","","","","","","0.9801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326790","15.321","0.0003","13.6647","0.0002","37.391","0.003","90","","99.24","0.007","90","","7726.5","0.7","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 B4 F4 I4 O12 -","- C32 H36 B4 F4 I4 O12 -","- C256 H288 B32 F32 I32 O96 -","8","1","","Victor N. Nemykin; Andrey V. Maskaev; Margarita R. Geraskina; Mekhman S. Yusubov; Viktor V. Zhdankin","Preparation and X-ray Crystal Study of Benziodoxaborole Derivatives: New Hypervalent Iodine Heterocycles","Inorganic Chemistry","2011","50","","11263","11272","10.1021/ic201922n","","","0.71075","MoKα","","0.0561","0.0393","","0.0753","0.07","0.0753","","","","","","1.0016","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326791","9.628","0.003","13.661","0.005","13.975","0.005","94.867","0.016","102.858","0.015","101.758","0.015","1738","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cu2 Er N5 O20 -","- C29 H34 Cu2 Er N5 O20 -","- C58 H68 Cu4 Er2 N10 O40 -","2","1","","Takashi Shimada; Atsushi Okazawa; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida","Ferromagnetic Exchange Couplings Showing a Chemical Trend in Cu-Ln-Cu Complexes (Ln = Gd, Tb, Dy, Ho, Er)","Inorganic Chemistry","2011","50","","10555","10557","10.1021/ic201944s","","","0.71073","MoKα","","","0.0436","","","","0.1409","","","","","","1.139","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326792","9.678","0.007","13.758","0.01","14.041","0.016","94.757","0.019","103.12","0.02","102.02","0.02","1764","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cu2 Gd N5 O20 -","- C29 H34 Cu2 Gd N5 O20 -","- C58 H68 Cu4 Gd2 N10 O40 -","2","1","","Takashi Shimada; Atsushi Okazawa; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida","Ferromagnetic Exchange Couplings Showing a Chemical Trend in Cu-Ln-Cu Complexes (Ln = Gd, Tb, Dy, Ho, Er)","Inorganic Chemistry","2011","50","","10555","10557","10.1021/ic201944s","","","0.71073","MoKα","","","0.0522","","","","0.1735","","","","","","1.345","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326793","9.68","0.002","13.74","0.003","14.019","0.003","94.732","0.004","103.09","0.004","101.976","0.004","1760.1","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cu2 N5 O20 Tb -","- C29 H34 Cu2 N5 O20 Tb -","- C58 H68 Cu4 N10 O40 Tb2 -","2","1","","Takashi Shimada; Atsushi Okazawa; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida","Ferromagnetic Exchange Couplings Showing a Chemical Trend in Cu-Ln-Cu Complexes (Ln = Gd, Tb, Dy, Ho, Er)","Inorganic Chemistry","2011","50","","10555","10557","10.1021/ic201944s","","","0.71073","MoKα","","","0.0672","","","","0.1899","","","","","","1.419","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326794","9.6764","0.0016","13.737","0.002","14.024","0.003","94.745","0.003","103.032","0.004","101.97","0.004","1760.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cu2 Dy N5 O20 -","- C29 H34 Cu2 Dy N5 O20 -","- C58 H68 Cu4 Dy2 N10 O40 -","2","1","","Takashi Shimada; Atsushi Okazawa; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida","Ferromagnetic Exchange Couplings Showing a Chemical Trend in Cu-Ln-Cu Complexes (Ln = Gd, Tb, Dy, Ho, Er)","Inorganic Chemistry","2011","50","","10555","10557","10.1021/ic201944s","","","0.71073","MoKα","","","0.0496","","","","0.1876","","","","","","1.261","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326795","9.6464","0.0016","13.697","0.003","13.994","0.003","94.829","0.004","102.855","0.004","101.825","0.004","1748","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cu2 Ho N5 O20 -","- C29 H34 Cu2 Ho N5 O20 -","- C58 H68 Cu4 Ho2 N10 O40 -","2","1","","Takashi Shimada; Atsushi Okazawa; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida","Ferromagnetic Exchange Couplings Showing a Chemical Trend in Cu-Ln-Cu Complexes (Ln = Gd, Tb, Dy, Ho, Er)","Inorganic Chemistry","2011","50","","10555","10557","10.1021/ic201944s","","","0.71073","MoKα","","","0.0664","","","","0.196","","","","","","1.45","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326796","14.3766","0.0005","15.0916","0.0003","14.934","0.0005","90","","101.118","0.002","90","","3179.36","0.17","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H71 N28 Nd O37 S -","- C39 H67 N28 Nd O37 S -","- C78 H134 N56 Nd2 O74 S2 -","2","1","","Pierre Thuéry","l-Cysteine as a Chiral Linker in Lanthanide-Cucurbit[6]uril One-Dimensional Assemblies","Inorganic Chemistry","2011","50","","10558","10560","10.1021/ic201965k","","","0.71073","MoKα","","0.0378","0.0339","","","0.0824","0.0843","","","","","","1.033","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326797","14.9552","0.0002","15.4216","0.0002","28.7508","0.0004","90","","101.002","0.002","90","","6509.01","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H148 Eu2 N56 O77 S2 -","- C78 H116 Eu2 N56 O77 S2 -","- C156 H232 Eu4 N112 O154 S4 -","2","1","","Pierre Thuéry","l-Cysteine as a Chiral Linker in Lanthanide-Cucurbit[6]uril One-Dimensional Assemblies","Inorganic Chemistry","2011","50","","10558","10560","10.1021/ic201965k","","","0.71073","MoKα","","0.0657","0.0538","","","0.153","0.16","","","","","","1.031","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326798","14.9551","0.0004","15.3965","0.0004","28.7244","0.0005","90","","101.091","0.002","90","","6490.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78 H148 N56 O77 S2 Tb2 -","- C78 H120 N56 O77 S2 Tb2 -","- C156 H240 N112 O154 S4 Tb4 -","2","1","","Pierre Thuéry","l-Cysteine as a Chiral Linker in Lanthanide-Cucurbit[6]uril One-Dimensional Assemblies","Inorganic Chemistry","2011","50","","10558","10560","10.1021/ic201965k","","","0.71073","MoKα","","0.0557","0.0487","","","0.1365","0.1413","","","","","","1.014","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326799","18.8319","0.0006","9.857","0.0002","28.2671","0.0008","90","","90","","90","","5247.1","0.2","100","","100","2","","","","","","","synthesis as described","6","P c a 21","P 2c -2ac","29","","","","- C26 H34 Co Mo O3 P -","- C26 H34 Co Mo O3 P -","- C208 H272 Co8 Mo8 O24 P8 -","8","2","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz","A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P-S Bond","Inorganic Chemistry","2011","50","","10561","10563","10.1021/ic202058h","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0918","0.0953","","","","","","1.052","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326800","11.2072","0.0004","14.6547","0.0005","14.7204","0.0005","102.093","0.002","109.525","0.002","105.085","0.002","2080.07","0.14","100","0.1","100","0.1","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C38 H41 Cl2 Mo2 O9 P S W2 -","- C38 H41 Cl2 Mo2 O9 P S W2 -","- C76 H82 Cl4 Mo4 O18 P2 S2 W4 -","2","1","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz","A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P-S Bond","Inorganic Chemistry","2011","50","","10561","10563","10.1021/ic202058h","","x-ray","0.71073","MoKα","","0.0401","0.0273","","","0.0487","0.052","","","","","","1.03","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326801","10.116","0.0004","10.9552","0.0004","15.9379","0.0005","77.456","0.002","83.659","0.002","89.924","0.003","1713.11","0.11","100","2","100","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C34 H39 Fe Mo2 O6 P S -","- C34 H39 Fe Mo2 O6 P S -","- C68 H78 Fe2 Mo4 O12 P2 S2 -","2","1","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz","A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P-S Bond","Inorganic Chemistry","2011","50","","10561","10563","10.1021/ic202058h","","x-ray","0.71073","MoKα","","0.0214","0.0188","","","0.0498","0.051","","","","","","1.109","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326802","10.5384","0.0007","19.874","0.0011","20.0473","0.0013","90","","119.116","0.004","90","","3668.1","0.4","100","0.1","100","0.1","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 Fe2 Mo2 O7 P S -","- C35 H39 Fe2 Mo2 O7 P S -","- C140 H156 Fe8 Mo8 O28 P4 S4 -","4","1","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz","A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P-S Bond","Inorganic Chemistry","2011","50","","10561","10563","10.1021/ic202058h","","x-ray","0.71073","MoKα","","0.0579","0.0447","","","0.1091","0.1187","","","","","","1.038","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326803","8.75468","0.00015","34.37449","0.00016","11.16967","0.0001","90","","111.748","0.001","90","","3122.13","0.07","170","","170","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 O6 Sc -","- C12 O6 Sc -","- C96 O48 Sc8 -","8","1","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.826019","","","","","","","","","0.11231","","1.46","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4326804","8.75292","0.00004","20.7551","0.00005","34.35779","0.00008","90","","90","","90","","6241.7","0.04","250","","250","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C12 O6 Sc -","- C12 O6 Sc -","- C192 O96 Sc16 -","16","0.5","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.826019","","","","","","","","","0.11821","","1.21","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4326805","8.742107","0.000014","20.739628","0.000027","34.34945","0.00004","90","","90","","90","","6227.83","0.015","323","","323","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C12 O6 Sc -","- C12 O6 Sc -","- C192 O96 Sc16 -","16","0.5","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.825028","","","","","","","","","0.10726","","5.24","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4326806","8.73461","0.000015","20.733114","0.000025","34.35274","0.00004","90","","90","","90","","6221.13","0.015","373","","373","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C12 O6 Sc -","- C12 O6 Sc -","- C192 O96 Sc16 -","16","0.5","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.825028","","","","","","","","","0.10124","","5.2","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4326807","8.725487","0.000017","20.728004","0.000023","34.35838","0.00004","90","","90","","90","","6214.12","0.016","423","","423","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C12 O6 Sc -","- C12 O6 Sc -","- C192 O96 Sc16 -","16","0.5","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.825028","","","","","","","","","0.10027","","5.03","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4326808","8.715763","0.000022","20.722986","0.000026","34.36496","0.00004","90","","90","","90","","6206.88","0.019","473","","473","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C12 O6 Sc -","- C12 O6 Sc -","- C192 O96 Sc16 -","16","0.5","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.825028","","","","","","","","","0.1084","","5.27","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4326809","8.704711","0.000032","20.71887","0.000031","34.37361","0.00006","90","","90","","90","","6199.34","0.03","523","","523","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C12 O6 Sc -","- C12 O6 Sc -","- C192 O96 Sc16 -","16","0.5","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.825028","","","","","","","","","0.10853","","5.61","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4326810","8.72068","0.00016","20.82072","0.00017","34.3857","0.00028","90","","90","","90","","6243.44","0.14","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 N1.5 O6 Sc -","- C12 N1.5 O6 Sc -","- C192 N24 O96 Sc16 -","16","0.5","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.826019","","","","","","","","","0.19202","","4.91","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4326811","8.6995","0.0004","20.8176","0.0008","34.3571","0.0012","90","","90","","90","","6222.2","0.4","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 N1.5 O6 Sc -","- C12 N1.5 O6 Sc -","- C192 N24 O96 Sc16 -","16","0.5","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","1.54056","","","","","","","","","0.1462","","1.22","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4326812","8.66745","0.0002","34.34855","0.0003","11.42264","0.00015","90","","115.233","0.0012","90","","3076.19","0.09","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 N1.5 O9 Sc -","- C12 N1.5 O9 Sc -","- C96 N12 O72 Sc8 -","8","1","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.826019","","","","","","","","","0.11718","","2.55","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4326813","8.66399","0.00007","34.42204","0.00013","11.42526","0.00006","90","","114.932","0.0005","90","","3089.84","0.03","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 N1.5 O9 Sc -","- C12 N1.5 O9 Sc -","- C96 N12 O72 Sc8 -","8","1","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.825","","","","","","","","","0.09428","","6.09","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4326814","8.6614","0.00007","34.42917","0.00012","11.42032","0.00006","90","","114.828","0.0004","90","","3090.83","0.03","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 N1.5 O9 Sc -","- C12 N1.5 O9 Sc -","- C96 N12 O72 Sc8 -","8","1","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.825","","","","","","","","","0.09418","","5.93","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4326815","8.65457","0.00008","34.43651","0.00013","11.41078","0.00006","90","","114.665","0.0005","90","","3090.52","0.04","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 N1.5 O9 Sc -","- C12 N1.5 O9 Sc -","- C96 N12 O72 Sc8 -","8","1","","John P. S. Mowat; Stuart R. Miller; John M. Griffin; Valerie R. Seymour; Sharon E. Ashbrook; Stephen P. Thompson; David Fairen-Jimenez; Ana-Maria Banu; Tina Düren; Paul A. Wright","Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives","Inorganic Chemistry","2011","50","","10844","10858","10.1021/ic201387d","powder diffraction","x-ray","0.825","","","","","","","","","0.09994","","5.97","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4326816","13.6027","0.0006","14.2161","0.0014","15.44","0.0005","73.945","0.006","83.606","0.006","85.364","0.007","2847.5","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C56.629 H54.812 Br Cl0.629 Cu F6 N6 P -","- C56.629 H54.812 Br Cl0.629 Cu F6 N6 P -","- C113.258 H109.624 Br2 Cl1.258 Cu2 F12 N12 P2 -","2","1","","Yann Pellegrin; Martina Sandroni; Errol Blart; Aurélien Planchat; Michel Evain; Narayan C. Bera; Megumi Kayanuma; Michel Sliwa; Mateusz Rebarz; Olivier Poizat; Chantal Daniel; Fabrice Odobel","New Heteroleptic Bis-Phenanthroline Copper(I) Complexes with Dipyridophenazine or Imidazole Fused Phenanthroline Ligands: Spectral, Electrochemical, and Quantum Chemical Studies","Inorganic Chemistry","2011","50","","11309","11322","10.1021/ic2006343","","","0.71069","MoKα","","0.1625","0.1124","","","0.2534","0.2675","","","","3.7","3.7","3.25","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4326817","9.9873","0.0003","14.328","0.0005","16.9827","0.0006","113.757","0.002","90.314","0.002","93.876","0.002","2217.75","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H34 Cl2 F4 Ir N9 O3 -","- C47 H34 Cl2 F4 Ir N9 O3 -","- C94 H68 Cl4 F8 Ir2 N18 O6 -","2","1","","Daniel Sykes; Ian S. Tidmarsh; Andrea Barbieri; Igor V. Sazanovich; Julia A. Weinstein; Michael D. Ward","d →f Energy Transfer in a Series of IrIII/EuIII Dyads: Energy-Transfer Mechanisms and White-Light Emission","Inorganic Chemistry","2011","50","","11323","11339","10.1021/ic2007759","","","0.71073","MoKα","","0.0606","0.0509","","","0.1357","0.144","","","","","","1.108","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326818","14.279","0.0019","19.232","0.004","19.724","0.003","105.895","0.002","110.582","0.002","106.298","0.002","4429","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H32 Cl3 F6 Ir N9 O3.5 -","- C47 H31 Cl3 F6 Ir N9 O3.5 -","- C188 H124 Cl12 F24 Ir4 N36 O14 -","4","2","","Daniel Sykes; Ian S. Tidmarsh; Andrea Barbieri; Igor V. Sazanovich; Julia A. Weinstein; Michael D. Ward","d →f Energy Transfer in a Series of IrIII/EuIII Dyads: Energy-Transfer Mechanisms and White-Light Emission","Inorganic Chemistry","2011","50","","11323","11339","10.1021/ic2007759","","","0.71073","MoKα","","0.1128","0.0574","","","0.1314","0.159","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326819","21.2697","0.0007","11.2972","0.0003","18.2126","0.0005","90","","94.062","0.002","90","","4365.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H34 Cl2 F4 Ir N9 O3 -","- C47 H34 Cl2 F4 Ir N9 O3 -","- C188 H136 Cl8 F16 Ir4 N36 O12 -","4","1","","Daniel Sykes; Ian S. Tidmarsh; Andrea Barbieri; Igor V. Sazanovich; Julia A. Weinstein; Michael D. Ward","d →f Energy Transfer in a Series of IrIII/EuIII Dyads: Energy-Transfer Mechanisms and White-Light Emission","Inorganic Chemistry","2011","50","","11323","11339","10.1021/ic2007759","","","0.71073","MoKα","","0.0935","0.0428","","","0.0935","0.1179","","","","","","1.063","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326820","15.7829","0.0007","20.9113","0.0008","18.3348","0.0007","90","","104.315","0.002","90","","5863.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H38.5 Cl7.5 F4 Ir N9 O3 -","- C54.5 H38.5 Cl7.5 F4 Ir N9 O3 -","- C218 H154 Cl30 F16 Ir4 N36 O12 -","4","1","","Daniel Sykes; Ian S. Tidmarsh; Andrea Barbieri; Igor V. Sazanovich; Julia A. Weinstein; Michael D. Ward","d →f Energy Transfer in a Series of IrIII/EuIII Dyads: Energy-Transfer Mechanisms and White-Light Emission","Inorganic Chemistry","2011","50","","11323","11339","10.1021/ic2007759","","","0.71073","MoKα","","0.1273","0.0777","","","0.2092","0.2527","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326821","11.1126","0.0003","13.4765","0.0003","15.759","0.0004","93.062","0.001","103.464","0.001","92.778","0.001","2287.4","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H34 Cl2 F10 Ir N8 P -","- C47 H34 Cl2 F10 Ir N8 P -","- C94 H68 Cl4 F20 Ir2 N16 P2 -","2","1","","Daniel Sykes; Ian S. Tidmarsh; Andrea Barbieri; Igor V. Sazanovich; Julia A. Weinstein; Michael D. Ward","d →f Energy Transfer in a Series of IrIII/EuIII Dyads: Energy-Transfer Mechanisms and White-Light Emission","Inorganic Chemistry","2011","50","","11323","11339","10.1021/ic2007759","","","0.71073","MoKα","","0.0414","0.038","","","0.1001","0.108","","","","","","1.085","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326822","19.0934","0.0018","13.148","0.0012","21.542","0.002","90","","114.288","0.004","90","","4929.2","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H37 Cl2 F12 Ir N8 O0.5 P -","- C49 H36 Cl2 F12 Ir N8 O0.5 P -","- C196 H144 Cl8 F48 Ir4 N32 O2 P4 -","4","1","","Daniel Sykes; Ian S. Tidmarsh; Andrea Barbieri; Igor V. Sazanovich; Julia A. Weinstein; Michael D. Ward","d →f Energy Transfer in a Series of IrIII/EuIII Dyads: Energy-Transfer Mechanisms and White-Light Emission","Inorganic Chemistry","2011","50","","11323","11339","10.1021/ic2007759","","","0.71073","MoKα","","0.1257","0.0716","","","0.1811","0.2218","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326823","13.7794","0.0012","19.1547","0.0017","19.4502","0.0017","93.622","0.001","92.043","0.001","106.027","0.001","4916.7","0.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H39 Cl2 Eu2 F48 Ir N8 O14 -","- C82 H39 Cl2 Eu2 F48 Ir N8 O14 -","- C164 H78 Cl4 Eu4 F96 Ir2 N16 O28 -","2","1","","Daniel Sykes; Ian S. Tidmarsh; Andrea Barbieri; Igor V. Sazanovich; Julia A. Weinstein; Michael D. Ward","d →f Energy Transfer in a Series of IrIII/EuIII Dyads: Energy-Transfer Mechanisms and White-Light Emission","Inorganic Chemistry","2011","50","","11323","11339","10.1021/ic2007759","","","0.71073","MoKα","","0.0686","0.0485","","","0.1247","0.1373","","","","","","1.042","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326824","13.1495","0.0002","16.5485","0.0002","23.9784","0.0004","90","","96.7743","0.0005","90","","5181.38","0.13","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H119 B4 Cl4 F16 N13 Ru4 -","- C98 H119 B4 Cl4 F16 N13 Ru4 -","- C196 H238 B8 Cl8 F32 N26 Ru8 -","2","0.5","","Konstantin Livanov; Vedichi Madhu; Ekambaram Balaraman; Linda J. W. Shimon; Yael Diskin-Posner; Ronny Neumann","Photocatalytic Splitting of CS2 to S8 and a Carbon-Sulfur Polymer Catalyzed by a Bimetallic Ruthenium(II) Compound with a Tertiary Amine Binding Site: Toward Photocatalytic Splitting of CO2?","Inorganic Chemistry","2011","50","","11273","11275","10.1021/ic2008045","","","0.71073","MoKα","","0.085","0.0565","","","0.1264","0.137","","","","","","0.995","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326825","29.615","0.002","12.3591","0.001","13.4634","0.001","90","","101.429","0.003","90","","4830.1","0.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H52 Cl2 F12 N4 O P2 Ru2 -","- C46 H52 Cl2 F12 N4 O P2 Ru2 -","- C184 H208 Cl8 F48 N16 O4 P8 Ru8 -","4","0.5","","Konstantin Livanov; Vedichi Madhu; Ekambaram Balaraman; Linda J. W. Shimon; Yael Diskin-Posner; Ronny Neumann","Photocatalytic Splitting of CS2 to S8 and a Carbon-Sulfur Polymer Catalyzed by a Bimetallic Ruthenium(II) Compound with a Tertiary Amine Binding Site: Toward Photocatalytic Splitting of CO2?","Inorganic Chemistry","2011","50","","11273","11275","10.1021/ic2008045","","","0.71073","MoKα","","0.1045","0.0462","","","0.1035","0.1317","","","","","","1.024","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326826","19.696","0.0007","18.5791","0.0007","16.7712","0.0008","90","","125.57","0.002","90","","4992","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 B4 F16 N6 Ru2 -","- C46 H48 B4 F16 N6 Ru2 -","- C184 H192 B16 F64 N24 Ru8 -","4","0.5","","Konstantin Livanov; Vedichi Madhu; Ekambaram Balaraman; Linda J. W. Shimon; Yael Diskin-Posner; Ronny Neumann","Photocatalytic Splitting of CS2 to S8 and a Carbon-Sulfur Polymer Catalyzed by a Bimetallic Ruthenium(II) Compound with a Tertiary Amine Binding Site: Toward Photocatalytic Splitting of CO2?","Inorganic Chemistry","2011","50","","11273","11275","10.1021/ic2008045","","","0.71073","MoKα","","0.0474","0.034","","","0.0754","0.0811","","","","","","1.013","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326827","16.358","0.0002","18.918","0.0003","17.492","0.0003","90","","108.296","0.0006","90","","5139.44","0.14","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 B4 F16 N12 O4 Ru2 -","- C38 H46 B4 F16 N12 O4 Ru2 -","- C152 H184 B16 F64 N48 O16 Ru8 -","4","0.5","","Konstantin Livanov; Vedichi Madhu; Ekambaram Balaraman; Linda J. W. Shimon; Yael Diskin-Posner; Ronny Neumann","Photocatalytic Splitting of CS2 to S8 and a Carbon-Sulfur Polymer Catalyzed by a Bimetallic Ruthenium(II) Compound with a Tertiary Amine Binding Site: Toward Photocatalytic Splitting of CO2?","Inorganic Chemistry","2011","50","","11273","11275","10.1021/ic2008045","","","0.71073","MoKα","","0.0764","0.0535","","","0.143","0.1584","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326828","7.4213","0.0013","10.3844","0.0016","16.476","0.003","90","","102.732","0.005","90","","1238.5","0.4","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N10 O3 S2 -","- C24 H20 N10 O3 S2 -","- C48 H40 N20 O6 S4 -","2","1","","Ludivine Garcia; Stéphane Maisonneuve; Jennifer Oudinet-Sin Marcu; Régis Guillot; François Lambert; Juan Xie; Clotilde Policar","Intrinsically Fluorescent Glycoligands To Study Metal Selectivity","Inorganic Chemistry","2011","50","","11353","11362","10.1021/ic200897v","","x-ray","0.71073","MoKα","","0.1221","0.0925","","","0.1961","0.3017","","","","","","1.104","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326829","14.226","0.005","5.587","0.005","16.82","0.005","90","","92.784","0.005","90","","1335.3","1.3","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl3 N9 O3 S -","- C24 H22 Cl3 N9 O3 S -","- C48 H44 Cl6 N18 O6 S2 -","2","1","","Ludivine Garcia; Stéphane Maisonneuve; Jennifer Oudinet-Sin Marcu; Régis Guillot; François Lambert; Juan Xie; Clotilde Policar","Intrinsically Fluorescent Glycoligands To Study Metal Selectivity","Inorganic Chemistry","2011","50","","11353","11362","10.1021/ic200897v","","x-ray","0.71073","MoKα","","0.0983","0.0483","","","0.0884","0.1008","","","","","","1.007","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326830","10.064","0.002","10.522","0.002","26.34","0.005","90","","90","","90","","2789.2","0.9","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Λ-Bis{(R)-N-(1-(4-bromophenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C30 H26 Br2 N2 O2 Zn -","- C30 H26 Br2 N2 O2 Zn -","- C120 H104 Br8 N8 O8 Zn4 -","4","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.0676","0.0396","","","0.0646","0.0705","","","","","","1.001","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326831","8.1814","0.0002","9.9745","0.0002","17.0287","0.0004","90","","90.81","0.002","90","","1389.49","0.05","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Δ-Bis{(S)-N-(1-(4-methoxyphenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C32 H32 N2 O4 Zn -","- C32 H32 N2 O4 Zn -","- C64 H64 N4 O8 Zn2 -","2","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.0648","0.0372","","","0.065","0.0725","","","","","","1.041","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326832","8.244","0.005","10.01","0.006","17.064","0.01","90","","90.974","0.01","90","","1408","1.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Λ-Bis{(R)-N-(1-(4-methoxyphenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C32 H32 N2 O4 Zn -","- C32 H32 N2 O4 Zn -","- C64 H64 N4 O8 Zn2 -","2","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.047","0.0315","","","0.0566","0.0587","","","","","","0.722","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326833","9.859","0.002","10.464","0.002","26.47","0.005","90","","90","","90","","2730.8","0.9","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Δ-Bis{(S)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C30 H26 Cl2 N2 O2 Zn -","- C30 H26 Cl2 N2 O2 Zn -","- C120 H104 Cl8 N8 O8 Zn4 -","4","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.081","0.0492","","","0.0851","0.0952","","","","","","0.973","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326834","9.8239","0.0014","10.4309","0.0016","26.433","0.004","90","","90","","90","","2708.6","0.7","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Λ-Bis{(R)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C30 H26 Cl2 N2 O2 Zn -","- C30 H26 Cl2 N2 O2 Zn -","- C120 H104 Cl8 N8 O8 Zn4 -","4","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.051","0.0383","","","0.0719","0.0754","","","","","","1.027","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326835","13.4392","0.0017","13.9264","0.0018","15.375","0.002","90","","108.848","0.002","90","","2723.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 Cu N8 O13 -","- C24 H18 Cl2 Cu N8 O13 -","- C96 H72 Cl8 Cu4 N32 O52 -","4","1","","Oindrila Das; Sayantan Paria; Ennio Zangrando; Tapan Kanti Paine","Copper(II)-Mediated Oxidative Transformation ofvic-Dioxime to Furoxan: Evidence for a Copper(II)-Dinitrosoalkene Intermediate","Inorganic Chemistry","2011","50","","11375","11383","10.1021/ic200979q","","","0.71073","MoKα","","0.1115","0.068","","","0.1573","0.1841","","","","","","1.018","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326836","13.127","0.003","15.606","0.004","25.53","0.005","90","","95.04","0.03","90","","5210","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 Cl2 Cu N8 O8.5 -","- C24 H13 Cl2 Cu N8 O8.5 -","- C192 H104 Cl16 Cu8 N64 O68 -","8","2","","Oindrila Das; Sayantan Paria; Ennio Zangrando; Tapan Kanti Paine","Copper(II)-Mediated Oxidative Transformation ofvic-Dioxime to Furoxan: Evidence for a Copper(II)-Dinitrosoalkene Intermediate","Inorganic Chemistry","2011","50","","11375","11383","10.1021/ic200979q","","","0.71073","MoKα","","0.1254","0.0524","","","0.1309","0.1531","","","","","","0.817","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326837","8.907","0.002","10.053","0.003","17.151","0.003","83.664","0.01","80.11","0.02","83.203","0.01","1495.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl Cu N9 O8 -","- C30 H23 Cl Cu N9 O8 -","- C60 H46 Cl2 Cu2 N18 O16 -","2","1","","Oindrila Das; Sayantan Paria; Ennio Zangrando; Tapan Kanti Paine","Copper(II)-Mediated Oxidative Transformation ofvic-Dioxime to Furoxan: Evidence for a Copper(II)-Dinitrosoalkene Intermediate","Inorganic Chemistry","2011","50","","11375","11383","10.1021/ic200979q","","","0.71073","MoKα","","0.1154","0.0774","","","0.2151","0.242","","","","","","1.051","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326838","16.6481","0.0005","19.4442","0.0006","23.0282","0.0006","76.1927","0.0009","71.5012","0.0009","69.6447","0.0009","6558.5","0.3","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C62.33 H67.33 Fe2 N4 O14.33 Pt4 -","- C61.66 H61.65 Fe2 N4 O13.165 Pt4 -","- C246.64 H246.6 Fe8 N16 O52.66 Pt16 -","4","2","","Shinji Tanaka; Kazushi Mashima","Interaction of Ferrocene Moieties Across a Square Pt4 Unit: Synthesis, Characterization, and Electrochemical Properties of Carboxylate-Bridged Bimetallic Pt4Fen (n= 2, 3, and 4) Complexes","Inorganic Chemistry","2011","50","","11384","11393","10.1021/ic201012m","","","0.71075","MoKα","","","0.0432","","","","0.1044","","","","","","1.079","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326839","16.2503","0.0009","16.2503","0.0009","13.3184","0.0007","90","","90","","90","","3517","0.3","113","","113","","","","","","","","","5","P 4 2 2","P 4 2","89","","","","- C55.5 H52 Fe4 O16 Pt4 -","- C58 H54 Fe4 O16 Pt4 -","- C116 H108 Fe8 O32 Pt8 -","2","0.25","","Shinji Tanaka; Kazushi Mashima","Interaction of Ferrocene Moieties Across a Square Pt4 Unit: Synthesis, Characterization, and Electrochemical Properties of Carboxylate-Bridged Bimetallic Pt4Fen (n= 2, 3, and 4) Complexes","Inorganic Chemistry","2011","50","","11384","11393","10.1021/ic201012m","","","0.71075","MoKα","","","0.0925","","","","0.1861","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326840","14.7183","0.0006","14.9467","0.0007","16.8001","0.0007","78.463","0.0012","66.0745","0.0012","72.0138","0.0012","3201.3","0.2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C61 H61 Cl3 Fe2 N4 O16 Pt4 -","- C61 H61 Cl3 Fe2 N4 O16 Pt4 -","- C122 H122 Cl6 Fe4 N8 O32 Pt8 -","2","1","","Shinji Tanaka; Kazushi Mashima","Interaction of Ferrocene Moieties Across a Square Pt4 Unit: Synthesis, Characterization, and Electrochemical Properties of Carboxylate-Bridged Bimetallic Pt4Fen (n= 2, 3, and 4) Complexes","Inorganic Chemistry","2011","50","","11384","11393","10.1021/ic201012m","","","0.71075","MoKα","","","0.0356","","","","0.0719","","","","","","1.021","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326841","17.3561","0.0005","18.5287","0.0005","19.3944","0.0006","102.181","0.0009","108.417","0.0008","111.816","0.0008","5097.6","0.3","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C65.33 H47.33 F24 Fe2 N4 O12.33 Pt4 -","- C65.32 H47.3 F24 Fe2 N4 O12.33 Pt4 -","- C130.64 H94.6 F48 Fe4 N8 O24.66 Pt8 -","2","1","","Shinji Tanaka; Kazushi Mashima","Interaction of Ferrocene Moieties Across a Square Pt4 Unit: Synthesis, Characterization, and Electrochemical Properties of Carboxylate-Bridged Bimetallic Pt4Fen (n= 2, 3, and 4) Complexes","Inorganic Chemistry","2011","50","","11384","11393","10.1021/ic201012m","","","0.71075","MoKα","","","0.0446","","","","0.1211","","","","","","1.04","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326842","16.327","0.003","18.739","0.003","19.046","0.004","69.166","0.008","76.65","0.01","67.924","0.009","5015","1.7","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H126 Fe2 N4 O13 Pt4 -","- C92 H126 Fe2 N4 O13 Pt4 -","- C184 H252 Fe4 N8 O26 Pt8 -","2","1","","Shinji Tanaka; Kazushi Mashima","Interaction of Ferrocene Moieties Across a Square Pt4 Unit: Synthesis, Characterization, and Electrochemical Properties of Carboxylate-Bridged Bimetallic Pt4Fen (n= 2, 3, and 4) Complexes","Inorganic Chemistry","2011","50","","11384","11393","10.1021/ic201012m","","","0.71075","MoKα","","","0.0819","","","","0.2466","","","","","","1.042","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326843","17.5811","0.0015","4.1743","0.0002","23.8229","0.0018","90","","96.073","0.005","90","","1738.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu3 I3 N4 O -","- C12 H8 Cu3 I3 N4 O -","- C48 H32 Cu12 I12 N16 O4 -","4","1","","Zhen-Lan Fang; Jian-Gang He; Qi-Sheng Zhang; Qi-Kai Zhang; Xiao-Yuan Wu; Rong-Min Yu; Can-Zhong Lu","PH-Controlled Construction of Cu(I) Coordination Polymers: In Situ Transformation of Ligand, Network Topologies, and Luminescence and UV-vis-NIR Absorption Properties","Inorganic Chemistry","2011","50","","11403","11411","10.1021/ic2011666","","","0.71073","MoKα","","0.0652","0.0428","","","0.0729","0.0816","","","","","","1.087","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326844","19.465","0.007","4.083","0.0015","19.122","0.007","90","","91.555","0.007","90","","1519.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu3 I2 N5 -","- C12 H8 Cu3 I2 N5 -","- C48 H32 Cu12 I8 N20 -","4","1","","Zhen-Lan Fang; Jian-Gang He; Qi-Sheng Zhang; Qi-Kai Zhang; Xiao-Yuan Wu; Rong-Min Yu; Can-Zhong Lu","PH-Controlled Construction of Cu(I) Coordination Polymers: In Situ Transformation of Ligand, Network Topologies, and Luminescence and UV-vis-NIR Absorption Properties","Inorganic Chemistry","2011","50","","11403","11411","10.1021/ic2011666","","","0.71073","MoKα","","0.0652","0.0493","","","0.1646","0.1899","","","","","","1.058","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326845","20.833","0.008","9.235","0.004","25.678","0.011","90","","95.193","0.014","90","","4920","4","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H29 N4 O20.5 V2 -","- C12 H26 N4 O20.5 V2 -","- C96 H208 N32 O164 V16 -","8","1","","M. Kaliva; C. Gabriel; C. P. Raptopoulou; A. Terzis; G. Voyiatzis; M. Zervou; C. Mateescu; A. Salifoglou","A Unique Dinuclear Mixed V(V) Oxo-peroxo Complex in the Structural Speciation of the Ternary V(V)-Peroxo-citrate System. Potential Mechanistic and Structural Insight into the Aqueous Synthetic Chemistry of Dinuclear V(V)-Citrate Species with H2O2","Inorganic Chemistry","2011","50","","11423","11436","10.1021/ic201204s","","","0.71073","MoKα","","0.0489","0.0417","","","0.1069","0.1155","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326846","8.3871","0.0006","14.3362","0.0008","18.7059","0.001","90","","96.537","0.003","90","","2234.6","0.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 N12 O12 Zn2 -","- C40 H40 N12 O12 Zn2 -","- C80 H80 N24 O24 Zn4 -","2","0.5","","Anangamohan Panja; Takashi Matsuo; Satoshi Nagao; Shun Hirota","DNA Cleavage by the Photocontrolled Cooperation of ZnII Centers in an Azobenzene-Linked Dizinc Complex","Inorganic Chemistry","2011","50","","11437","11445","10.1021/ic201244y","","","0.71075","MoKα","","","0.1025","","","","0.2291","","","","","","1.054","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326847","9.045","0.0018","9.643","0.0019","14.348","0.003","103.77","0.03","93.72","0.03","93.73","0.03","1208.7","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 Br4 P -","- C25 H22 Br4 P -","- C50 H44 Br8 P2 -","2","1","","Michael Wolff; Alexander Okrut; Claus Feldmann","[(Ph)3PBr][Br7], [(Bz)(Ph)3P]2[Br8], [(n-Bu)3MeN]2[Br20], [C4MPyr]2[Br20], and [(Ph)3PCl]2[Cl2I14]: Extending the Horizon of Polyhalides via Synthesis in Ionic Liquids","Inorganic Chemistry","2011","50","","11683","11694","10.1021/ic201291k","","","0.71073","MoKα","","0.05","0.0367","","","0.0923","0.0984","","","","","","1.024","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326848","16.34","0.003","10.242","0.002","33.154","0.007","90","","96.67","0.03","90","","5510.9","1.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H30 Br10 N -","- C13 H30 Br10 N -","- C104 H240 Br80 N8 -","8","1","","Michael Wolff; Alexander Okrut; Claus Feldmann","[(Ph)3PBr][Br7], [(Bz)(Ph)3P]2[Br8], [(n-Bu)3MeN]2[Br20], [C4MPyr]2[Br20], and [(Ph)3PCl]2[Cl2I14]: Extending the Horizon of Polyhalides via Synthesis in Ionic Liquids","Inorganic Chemistry","2011","50","","11683","11694","10.1021/ic201291k","","","0.71073","MoKα","","0.084","0.0498","","","0.1086","0.1213","","","","","","0.96","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326849","10.625","0.002","12.091","0.003","10.732","0.002","90","","115.23","0.03","90","","1247.2","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br8 P -","- C18 H15 Br8 P -","- C36 H30 Br16 P2 -","2","1","","Michael Wolff; Alexander Okrut; Claus Feldmann","[(Ph)3PBr][Br7], [(Bz)(Ph)3P]2[Br8], [(n-Bu)3MeN]2[Br20], [C4MPyr]2[Br20], and [(Ph)3PCl]2[Cl2I14]: Extending the Horizon of Polyhalides via Synthesis in Ionic Liquids","Inorganic Chemistry","2011","50","","11683","11694","10.1021/ic201291k","","","0.71073","MoKα","","0.0721","0.0557","","","0.128","0.1416","","","","","","1.029","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326850","11.505","0.002","17.581","0.003","17.67","0.006","90","","123.02","0.02","90","","2996.8","1.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 I7 P -","- C18 H15 Cl2 I7 P -","- C72 H60 Cl8 I28 P4 -","4","1","","Michael Wolff; Alexander Okrut; Claus Feldmann","[(Ph)3PBr][Br7], [(Bz)(Ph)3P]2[Br8], [(n-Bu)3MeN]2[Br20], [C4MPyr]2[Br20], and [(Ph)3PCl]2[Cl2I14]: Extending the Horizon of Polyhalides via Synthesis in Ionic Liquids","Inorganic Chemistry","2011","50","","11683","11694","10.1021/ic201291k","","","0.71073","MoKα","","0.0485","0.0394","","","0.0977","0.1022","","","","","","1.009","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326851","8.475","0.0017","10.996","0.002","13.138","0.003","88.77","0.03","80.12","0.03","75.85","0.02","1169.3","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H20 Br10 N -","- C9 H20 Br10 N -","- C18 H40 Br20 N2 -","2","1","","Michael Wolff; Alexander Okrut; Claus Feldmann","[(Ph)3PBr][Br7], [(Bz)(Ph)3P]2[Br8], [(n-Bu)3MeN]2[Br20], [C4MPyr]2[Br20], and [(Ph)3PCl]2[Cl2I14]: Extending the Horizon of Polyhalides via Synthesis in Ionic Liquids","Inorganic Chemistry","2011","50","","11683","11694","10.1021/ic201291k","","","0.71073","MoKα","","0.0807","0.0434","","","0.0969","0.1113","","","","","","0.918","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326852","8.2246","0.0003","22.4335","0.0012","15.2684","0.0005","90","","120.443","0.002","90","","2428.73","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N6 O2 -","- C26 H26 N6 O2 -","- C104 H104 N24 O8 -","4","1","","Thomas Kauf; Pierre Braunstein","Reactivity of TCNE or TCNQ Derivatives of Quinonoid Zwitterions: Platinum-Induced HCN Elimination vs Oxidative-Addition","Inorganic Chemistry","2011","50","","11472","11480","10.1021/ic2013045","","","0.71073","MoKα","","0.1071","0.0636","","","0.1422","0.1675","","","","","","1.123","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326853","9.8756","0.0007","14.1464","0.0007","14.603","0.0008","74.673","0.003","89.656","0.003","79.527","0.003","1932.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N5 O2 -","- C19 H21 N5 O2 -","- C76 H84 N20 O8 -","4","2","","Thomas Kauf; Pierre Braunstein","Reactivity of TCNE or TCNQ Derivatives of Quinonoid Zwitterions: Platinum-Induced HCN Elimination vs Oxidative-Addition","Inorganic Chemistry","2011","50","","11472","11480","10.1021/ic2013045","","","0.71073","MoKα","","0.1384","0.0898","","","0.2229","0.26","","","","","","1.03","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326854","17.483","0.002","18.137","0.003","19.762","0.003","108.86","0.02","108.03","0.02","94.15","0.01","5534.2","1.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H52 N5 O2.5 P2 Pt -","- C55 H52 N5 O2.5 P2 Pt -","- C220 H208 N20 O10 P8 Pt4 -","4","2","","Thomas Kauf; Pierre Braunstein","Reactivity of TCNE or TCNQ Derivatives of Quinonoid Zwitterions: Platinum-Induced HCN Elimination vs Oxidative-Addition","Inorganic Chemistry","2011","50","","11472","11480","10.1021/ic2013045","","x-ray","0.71073","MoKα","","0.0944","0.0518","","","0.1145","0.1275","","","","","","0.916","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326855","13.4792","0.0004","14.5565","0.0003","19.5384","0.0005","98.998","0.002","107.805","0.001","96.889","0.002","3547.25","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H62 Cl6 N6 O2 P2 Pt -","- C65 H62 Cl6 N6 O2 P2 Pt -","- C130 H124 Cl12 N12 O4 P4 Pt2 -","2","1","","Thomas Kauf; Pierre Braunstein","Reactivity of TCNE or TCNQ Derivatives of Quinonoid Zwitterions: Platinum-Induced HCN Elimination vs Oxidative-Addition","Inorganic Chemistry","2011","50","","11472","11480","10.1021/ic2013045","","","0.71073","MoKα","","0.0953","0.0769","","","0.1966","0.2055","","","","","","1.047","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326856","19.5854","0.0005","12.078","0.0003","12.9363","0.0003","90","","118.161","0.001","90","","2697.87","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 N12 O18 Th -","- C12 H28 N12 O18 Th -","- C48 H112 N48 O72 Th4 -","4","0.5","","Grigory Andreev; Nina Budantseva; Aleksander Fedoseev; Philippe Moisy","Polymeric Structure of Oxalato-Bridged Complexes of Tetravalent Actinides Th, U, Np and Pu","Inorganic Chemistry","2011","50","","11481","11486","10.1021/ic201313g","","","0.71073","MoKα","","0.0333","0.0235","","","0.0519","0.0555","","","","","","1.041","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326857","19.6703","0.0004","11.9387","0.0002","12.8072","0.0002","90","","117.811","0.001","90","","2660.21","0.09","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 N12 O18 U -","- C12 H28 N12 O18 U -","- C48 H112 N48 O72 U4 -","4","0.5","","Grigory Andreev; Nina Budantseva; Aleksander Fedoseev; Philippe Moisy","Polymeric Structure of Oxalato-Bridged Complexes of Tetravalent Actinides Th, U, Np and Pu","Inorganic Chemistry","2011","50","","11481","11486","10.1021/ic201313g","","","0.71073","MoKα","","0.0568","0.0345","","","0.0697","0.0811","","","","","","1.213","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326858","19.6222","0.0003","11.9186","0.0002","12.767","0.0002","90","","117.725","0.001","90","","2643.01","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 N12 Np O18 -","- C12 H28 N12 Np O18 -","- C48 H112 N48 Np4 O72 -","4","0.5","","Grigory Andreev; Nina Budantseva; Aleksander Fedoseev; Philippe Moisy","Polymeric Structure of Oxalato-Bridged Complexes of Tetravalent Actinides Th, U, Np and Pu","Inorganic Chemistry","2011","50","","11481","11486","10.1021/ic201313g","","","0.71073","MoKα","","0.06","0.0356","","","0.0743","0.0884","","","","","","1.07","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326859","19.6361","0.0004","11.8811","0.0002","12.7195","0.0002","90","","117.437","0.001","90","","2633.66","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 N12 O18 Pu -","- C12 H28 N12 O18 Pu -","- C48 H112 N48 O72 Pu4 -","4","0.5","","Grigory Andreev; Nina Budantseva; Aleksander Fedoseev; Philippe Moisy","Polymeric Structure of Oxalato-Bridged Complexes of Tetravalent Actinides Th, U, Np and Pu","Inorganic Chemistry","2011","50","","11481","11486","10.1021/ic201313g","","","0.71073","MoKα","","0.0602","0.0325","","","0.0651","0.0793","","","","","","1.112","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326860","19.068","0.0003","19.068","0.0003","16.2385","0.0003","90","","90","","90","","5904.13","0.17","160","2","160","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C72.6 H119.4 Cl1.2 Dy9 N24 O52.6 -","- C72.6 H96 Cl1.2 Dy9 N24 O52.6 -","- C145.2 H192 Cl2.4 Dy18 N48 O105.2 -","2","0.25","","Dimitris I. Alexandropoulos; Shreya Mukherjee; Constantina Papatriantafyllopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Vlasoula Bekiari; George Christou; Theocharis C. Stamatatos","A New Family of Nonanuclear Lanthanide Clusters Displaying Magnetic and Optical Properties","Inorganic Chemistry","2011","50","","11276","11278","10.1021/ic2013683","","","1.54178","CuKα","","0.0873","0.0749","","","0.1761","0.1893","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326861","6.44436","0.00052","5.4336","0.00037","22.7952","0.0017","90","","89.901","0.0046","90","","798.2","0.1","298","","298","","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 -","- C18 H22 N4 -","- C36 H44 N8 -","2","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Norberto Masciocchi; Simona Galli; Fabio Marchetti; Mariglen Angjellari","Pro-porous Coordination Polymers of the 1,4-Bis((3,5-dimethyl-1H-pyrazol-4-yl)-methyl)benzene Ligand with Late Transition Metals","Inorganic Chemistry","2011","50","","11506","11513","10.1021/ic2013705","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326862","25.4057","0.0017","8.82517","0.00051","7.27564","0.00058","90","","90","","90","","1631.27","0.19","298","","298","","","","","","","","synthesis","4","P c c n","-P 2ab 2ac","56","","","","- C18 H20 N4 Zn -","- C18 H20 N4 Zn -","- C72 H80 N16 Zn4 -","4","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Norberto Masciocchi; Simona Galli; Fabio Marchetti; Mariglen Angjellari","Pro-porous Coordination Polymers of the 1,4-Bis((3,5-dimethyl-1H-pyrazol-4-yl)-methyl)benzene Ligand with Late Transition Metals","Inorganic Chemistry","2011","50","","11506","11513","10.1021/ic2013705","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326863","25.2965","0.0037","8.81507","0.00092","7.3272","0.0011","90","","90","","90","","1633.9","0.4","298","","298","","","","","","","","synthesis","4","P c c n","-P 2ab 2ac","56","","","","- C18 H20 Co N4 -","- C18 H20 Co N4 -","- C72 H80 Co4 N16 -","4","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Norberto Masciocchi; Simona Galli; Fabio Marchetti; Mariglen Angjellari","Pro-porous Coordination Polymers of the 1,4-Bis((3,5-dimethyl-1H-pyrazol-4-yl)-methyl)benzene Ligand with Late Transition Metals","Inorganic Chemistry","2011","50","","11506","11513","10.1021/ic2013705","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326864","25.91916","0.00065","8.63028","0.0003","7.67202","0.00033","90","","90","","90","","1716.15","0.1","298","","298","","","","","","","","synthesis","4","P c c n","-P 2ab 2ac","56","","","","- C18 H20 Cd N4 -","- C18 H20 Cd N4 -","- C72 H80 Cd4 N16 -","4","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Norberto Masciocchi; Simona Galli; Fabio Marchetti; Mariglen Angjellari","Pro-porous Coordination Polymers of the 1,4-Bis((3,5-dimethyl-1H-pyrazol-4-yl)-methyl)benzene Ligand with Late Transition Metals","Inorganic Chemistry","2011","50","","11506","11513","10.1021/ic2013705","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326865","15.837","0.004","15.516","0.004","18.061","0.004","90","","115.297","0.019","90","","4012.5","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 F6 Ir N8 P -","- C40 H32 F6 Ir N8 P -","- C160 H128 F24 Ir4 N32 P4 -","4","1","","Sébastien Ladouceur; Daniel Fortin; Eli Zysman-Colman","Enhanced Luminescent Iridium(III) Complexes Bearing Aryltriazole Cyclometallated Ligands","Inorganic Chemistry","2011","50","","11514","11526","10.1021/ic2014013","","","1.54176","CuKα","","0.2207","0.085","","","0.1749","0.2222","","","","","","0.942","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326866","15.248","0.007","16.489","0.007","18.317","0.007","90","","111.89","0.04","90","","4273","3","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cl2 F10 Ir N8 P -","- C41 H30 Cl2 F10 Ir N8 P -","- C164 H120 Cl8 F40 Ir4 N32 P4 -","4","1","","Sébastien Ladouceur; Daniel Fortin; Eli Zysman-Colman","Enhanced Luminescent Iridium(III) Complexes Bearing Aryltriazole Cyclometallated Ligands","Inorganic Chemistry","2011","50","","11514","11526","10.1021/ic2014013","","","0.71073","MoKα","","0.2464","0.0848","","","0.1432","0.1807","","","","","","0.86","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326867","12.106","0.008","24.022","0.014","15.686","0.011","90","","94.88","0.06","90","","4545","5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H41 Cl3 F10 Ir N4 P -","- C43 H41 Cl3 F10 Ir N4 P -","- C172 H164 Cl12 F40 Ir4 N16 P4 -","4","1","","Sébastien Ladouceur; Daniel Fortin; Eli Zysman-Colman","Enhanced Luminescent Iridium(III) Complexes Bearing Aryltriazole Cyclometallated Ligands","Inorganic Chemistry","2011","50","","11514","11526","10.1021/ic2014013","","","1.54176","CuKα","","0.1509","0.095","","","0.2322","0.2656","","","","","","0.958","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326868","19.293","0.004","14.332","0.003","10.3246","0.0014","90","","90.114","0.01","90","","2854.8","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 N2 O14 Zn4 -","- C22 H14 N2 O14 Zn4 -","- C44 H28 N4 O28 Zn8 -","2","1","","Yan-Xi Tan; Yan-Ping He; Jian Zhang","Serine-Based Homochiral Nanoporous Frameworks for Selective CO2 Uptake","Inorganic Chemistry","2011","50","","11527","11531","10.1021/ic201442u","","","1.5478","MoKα","","0.0631","0.0494","","","0.1235","0.1314","","","","","","0.864","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326869","19.42","0.013","14.437","0.01","10.337","0.007","90","","89.731","0.013","90","","2898","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 N2 O14 Zn4 -","- C22 H13 N2 O14 Zn4 -","- C44 H26 N4 O28 Zn8 -","2","1","","Yan-Xi Tan; Yan-Ping He; Jian Zhang","Serine-Based Homochiral Nanoporous Frameworks for Selective CO2 Uptake","Inorganic Chemistry","2011","50","","11527","11531","10.1021/ic201442u","","","0.71073","MoKα","","0.101","0.0713","","","0.1904","0.2083","","","","","","0.955","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326870","9.3901","0.0001","9.3901","0.0001","32.1248","0.0006","90","","90","","90","","2832.57","0.07","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H36 N6 Ni O10 -","- C24 H36 N6 Ni O10 -","- C96 H144 N24 Ni4 O40 -","4","0.5","","Agnieszka Wojciechowska; Marek Daszkiewicz; Zbigniew Staszak; Agnieszka Trusz-Zdybek; Alina Bieńko; Andrzej Ozarowski","Synthesis, Crystal Structure, Spectroscopic, Magnetic, Theoretical, and Microbiological Studies of a Nickel(II) Complex ofl-Tyrosine and Imidazole, [Ni(Im)2(l-tyr)2].4H2O","Inorganic Chemistry","2011","50","","11532","11542","10.1021/ic201471f","","","0.71073","MoKα","","0.0365","0.0262","","","0.0573","0.0644","","","","","","1.095","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326871","15.261","0.002","25.691","0.004","17.279","0.003","90","","116.18","0.006","90","","6079.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H196 Cu2 N8 O18 -","- C112 H196 Cu2 N8 O18 -","- C224 H392 Cu4 N16 O36 -","2","0.5","","María Castellano; Francisco R. Fortea-Pérez; Salah-Eddine Stiriba; Miguel Julve; Francesc Lloret; Donatella Armentano; Giovanni De Munno; Rafael Ruiz-Garci; Joan Cano","Very Long-Distance Magnetic Coupling in a Dicopper(II) Metallacyclophane with Extended π-Conjugated Diphenylethyne Bridges","Inorganic Chemistry","2011","50","","11279","11281","10.1021/ic201472b","","","0.71073","MoKα","","0.0836","0.074","","","0.2073","0.222","","","","","","1.175","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326872","8.7676","0.0004","9.9352","0.0005","10.4923","0.0005","76.145","0.004","88.541","0.004","66.314","0.005","810.04","0.08","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Fe O4 P2 -","- C36 H38 Fe O4 P2 -","- C36 H38 Fe O4 P2 -","1","0.5","","Zhigang Xue; Jean-Claude Daran; Yohan Champouret; Rinaldo Poli","Ligand Adducts of Bis(acetylacetonato)iron(II): A 1H NMR Study","Inorganic Chemistry","2011","50","","11543","11551","10.1021/ic201486v","","","0.71073","MoKα","","0.0344","0.0277","","","0.0737","0.0771","","","","","","1.044","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326873","9.392","0.005","12.179","0.007","21.872","0.012","90","","94.892","0.003","90","","2493","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 B F6 N4 O6 -","- C19 H29 B F6 N4 O6 -","- C76 H116 B4 F24 N16 O24 -","4","1","","Masanori Kitamura; Toshihiro Suzuki; Ryo Abe; Takeru Ueno; Shin Aoki","11B NMR Sensing of d-Block Metal Ions in Vitro and in Cells Based on the Carbon-Boron Bond Cleavage of Phenylboronic Acid-Pendant Cyclen (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Inorganic Chemistry","2011","50","","11568","11580","10.1021/ic201507q","","","0.7107","MoKα","","0.1143","0.0724","","","0.169","0.1958","","","","","","1.126","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4326874","9.968","0.006","16.226","0.008","16.718","0.009","71.955","0.018","89.71","0.02","77.42","0.019","2504","2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H55 B F12 N8 O13 Zn2 -","- C38 H55 B F12 N8 O13 Zn2 -","- C76 H110 B2 F24 N16 O26 Zn4 -","2","1","","Masanori Kitamura; Toshihiro Suzuki; Ryo Abe; Takeru Ueno; Shin Aoki","11B NMR Sensing of d-Block Metal Ions in Vitro and in Cells Based on the Carbon-Boron Bond Cleavage of Phenylboronic Acid-Pendant Cyclen (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Inorganic Chemistry","2011","50","","11568","11580","10.1021/ic201507q","","","0.7107","MoKα","","0.063","0.0456","","","0.1154","0.1251","","","","","","0.999","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326875","11.9402","0.0009","11.9402","0.0009","5.5735","0.0011","90","","90","","90","","794.6","0.18","140","2","140","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C13 H22 B N5 -","- C13 H23 B N5 -","- C26 H46 B2 N10 -","2","0.25","","Magdalena Marszalek; Zhaofu Fei; Dun-Ru Zhu; Rosario Scopelliti; Paul J. Dyson; Shaik Mohammed Zakeeruddin; Michael Grätzel","Application of Ionic Liquids Containing Tricyanomethanide [C(CN)3]- or Tetracyanoborate [B(CN)4]- Anions in Dye-Sensitized Solar Cells","Inorganic Chemistry","2011","50","","11561","11567","10.1021/ic201513m","","","0.71073","MoKα","","0.0583","0.0494","","","0.1142","0.1175","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326876","8.573","0.0017","16.777","0.003","9.822","0.002","90","","94.74","0.03","90","","1407.9","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B N5 -","- C12 H18 B N5 -","- C48 H72 B4 N20 -","4","1","","Magdalena Marszalek; Zhaofu Fei; Dun-Ru Zhu; Rosario Scopelliti; Paul J. Dyson; Shaik Mohammed Zakeeruddin; Michael Grätzel","Application of Ionic Liquids Containing Tricyanomethanide [C(CN)3]- or Tetracyanoborate [B(CN)4]- Anions in Dye-Sensitized Solar Cells","Inorganic Chemistry","2011","50","","11561","11567","10.1021/ic201513m","","","0.71073","MoKα","","0.1225","0.0796","","","0.2079","0.2315","","","","","","1.175","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326877","19.352","0.003","13.614","0.002","19.977","0.003","90","","117.984","0.005","90","","4647.7","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Cl2 Cu3 N6 O6 -","- C46 H54 Cl2 Cu3 N6 O6 -","- C184 H216 Cl8 Cu12 N24 O24 -","4","0.5","","Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors","Inorganic Chemistry","2011","50","","11581","11591","10.1021/ic201536c","","","0.71073","MoKα","","0.0551","0.0431","","","0.1138","0.1231","","","","","","1.001","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326878","21.676","0.003","43.659","0.006","18.355","0.002","90","","114.411","0.008","90","","15817","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C304 H330 Cl12 Cu18 N38 O72 -","- C304 H330 Cl12 Cu18 N38 O72 -","- C608 H660 Cl24 Cu36 N76 O144 -","2","0.5","","Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors","Inorganic Chemistry","2011","50","","11581","11591","10.1021/ic201536c","","","0.71073","MoKα","","0.1266","0.0771","","","0.1846","0.2134","","","","","","1.044","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326879","12.597","0.002","13.704","0.003","23.683","0.005","90","","90","","90","","4088.4","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H66 Cu N3 O4.5 -","- C41 H65 Cu N3 O4.5 -","- C164 H260 Cu4 N12 O18 -","4","1","","Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors","Inorganic Chemistry","2011","50","","11581","11591","10.1021/ic201536c","","","0.71073","MoKα","","0.0285","0.0273","","","0.0757","0.0769","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326880","13.626","0.005","20.992","0.008","29.684","0.012","90","","91.599","0.008","90","","8487","6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H67 Br12 Cl4 Cu3 N9 O6 -","- C69 H63 Br12 Cu3 N9 O6 -","- C276 H252 Br48 Cu12 N36 O24 -","4","1","","Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors","Inorganic Chemistry","2011","50","","11581","11591","10.1021/ic201536c","","","0.71073","MoKα","","0.0754","0.0522","","","0.1258","0.1328","","","","","","1.005","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326881","21.15","0.005","10.823","0.003","22.675","0.006","90","","90","","90","","5190","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 Cu N5 O8 -","- C23 H25 Cu N5 O7 -","- C184 H200 Cu8 N40 O56 -","8","1","","Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors","Inorganic Chemistry","2011","50","","11581","11591","10.1021/ic201536c","","","0.71073","MoKα","","0.1085","0.0747","","","0.1774","0.1935","","","","","","1.069","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326882","10.6796","0.0012","11.1968","0.0012","15.2613","0.0016","99.326","0.008","104.157","0.008","114.83","0.009","1531.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H37 Cl Cu N3 Na O10 -","- C27 H37 Cl Cu N3 Na O10 -","- C54 H74 Cl2 Cu2 N6 Na2 O20 -","2","1","","Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors","Inorganic Chemistry","2011","50","","11581","11591","10.1021/ic201536c","","","1.54178","CuKα","","0.0698","0.0515","","","0.1439","0.1805","","","","","","1.122","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326883","11.4411","0.0002","14.0636","0.0003","17.2603","0.0004","75.3279","0.0008","71.2575","0.0008","88.8294","0.0009","2538.57","0.09","115","2","115","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H63 Fe P3 -","- C63 H63 Fe P3 -","- C126 H126 Fe2 P6 -","2","1","","Sophal Mom; Matthieu Beaupérin; David Roy; Sylviane Royer; Régine Amardeil; Hélène Cattey; Henri Doucet; Jean-Cyrille Hierso","Congested Ferrocenyl Polyphosphanes Bearing Electron-Donating or Electron-Withdrawing Phosphanyl Groups: Assessment of Metallocene Conformation from NMR Spin Couplings and Use in Palladium-Catalyzed Chloroarenes Activation","Inorganic Chemistry","2011","50","","11592","11603","10.1021/ic2015379","","","0.71073","MoKα","","0.0582","0.0477","","","0.1028","0.1095","","","","","","1.13","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326884","13.207","0.0011","12.9862","0.0008","18.1372","0.0016","90","","90.21","0.007","90","","3110.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 Dy2 N8 Ni2 O20 -","- C62 H58 Dy2 N8 Ni2 O20 -","- C124 H116 Dy4 N16 Ni4 O40 -","2","0.5","","Kartik Chandra Mondal; George E. Kostakis; Yanhua Lan; Wolfgang Wernsdorfer; Christopher E. Anson; Annie K. Powell","Defect-Dicubane Ni2Ln2 (Ln = Dy, Tb) Single Molecule Magnets","Inorganic Chemistry","2011","50","","11604","11611","10.1021/ic2015397","","","0.71073","MoKα","","0.0686","0.0516","","","0.1224","0.1281","","","","","","0.978","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326885","12.0955","0.001","24.256","0.0011","11.2336","0.0008","90","","107.996","0.006","90","","3134.6","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H64 N6 Ni2 O23 Tb2 -","- C61 H52 N6 Ni2 O23 Tb2 -","- C122 H104 N12 Ni4 O46 Tb4 -","2","0.5","","Kartik Chandra Mondal; George E. Kostakis; Yanhua Lan; Wolfgang Wernsdorfer; Christopher E. Anson; Annie K. Powell","Defect-Dicubane Ni2Ln2 (Ln = Dy, Tb) Single Molecule Magnets","Inorganic Chemistry","2011","50","","11604","11611","10.1021/ic2015397","","","0.71073","MoKα","","0.1047","0.0632","","","0.1407","0.1582","","","","","","1.02","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326886","12.6108","0.0003","12.7982","0.0003","14.974","0.0003","90","","90","","90","","2416.74","0.09","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N O4 Ru S4 -","- C21 H28 Cl N O4 Ru S4 -","- C84 H112 Cl4 N4 O16 Ru4 S16 -","4","1","","Siu-Chung Chan; Ho-Yuen Cheung; Chun-Yuen Wong","Ruthenium Complexes Containing 2-(2-Nitrosoaryl)pyridine: Structural, Spectroscopic, and Theoretical Studies","Inorganic Chemistry","2011","50","","11636","11643","10.1021/ic201570d","","","1.54178","CuKα","","0.0565","0.0559","","","0.1327","0.1332","","","","","","1.085","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326887","11.5082","0.0001","31.8516","0.0003","14.9953","0.0002","90","","89.133","0.001","90","","5495.97","0.1","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl2 N2 O9 Ru S4 -","- C21 H28 Cl2 N2 O9 Ru S4 -","- C168 H224 Cl16 N16 O72 Ru8 S32 -","8","2","","Siu-Chung Chan; Ho-Yuen Cheung; Chun-Yuen Wong","Ruthenium Complexes Containing 2-(2-Nitrosoaryl)pyridine: Structural, Spectroscopic, and Theoretical Studies","Inorganic Chemistry","2011","50","","11636","11643","10.1021/ic201570d","","","1.54178","CuKα","","0.049","0.0476","","","0.1146","0.1153","","","","","","1.156","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326888","11.9696","0.0002","17.1231","0.0004","16.3023","0.0003","90","","101.541","0.002","90","","3273.71","0.11","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 F12 N3 O3 P2 Ru S4 -","- C24 H31 F12 N3 O3 P2 Ru S4 -","- C96 H124 F48 N12 O12 P8 Ru4 S16 -","4","1","","Siu-Chung Chan; Ho-Yuen Cheung; Chun-Yuen Wong","Ruthenium Complexes Containing 2-(2-Nitrosoaryl)pyridine: Structural, Spectroscopic, and Theoretical Studies","Inorganic Chemistry","2011","50","","11636","11643","10.1021/ic201570d","","","0.71073","MoKα","","0.0414","0.0316","","","0.0627","0.0677","","","","","","1.119","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326889","11.5192","0.0014","12.5433","0.0016","29.608","0.004","90","","96.2","0.001","90","","4253","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 Ce N4 O8 -","- C39 H64 Ce N4 O8 -","- C156 H256 Ce4 N16 O32 -","4","1","","Helen C. Aspinall; John Bacsa; Anthony C. Jones; Jacqueline S. Wrench; Kate Black; Paul R. Chalker; Peter J. King; Paul Marshall; Matthew Werner; Hywel O. Davies; Rajesh Odedra","Ce(IV) Complexes with Donor-Functionalized Alkoxide Ligands: Improved Precursors for Chemical Vapor Deposition of CeO2","Inorganic Chemistry","2011","50","","11644","11652","10.1021/ic201593s","","","0.71073","MoKα","","0.0232","0.0215","","","0.0487","0.0493","","","","","","1.059","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326890","10.791","0.003","18.425","0.005","14.533","0.004","90","","99.53","0.004","90","","2849.6","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H86 Ce2 N4 O13 -","- C49 H86 Ce2 N4 O13 -","- C98 H172 Ce4 N8 O26 -","2","1","","Helen C. Aspinall; John Bacsa; Anthony C. Jones; Jacqueline S. Wrench; Kate Black; Paul R. Chalker; Peter J. King; Paul Marshall; Matthew Werner; Hywel O. Davies; Rajesh Odedra","Ce(IV) Complexes with Donor-Functionalized Alkoxide Ligands: Improved Precursors for Chemical Vapor Deposition of CeO2","Inorganic Chemistry","2011","50","","11644","11652","10.1021/ic201593s","","","0.71073","MoKα","","0.0347","0.0324","","","0.0831","0.0839","","","","","","1.057","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326891","19.0918","0.0017","19.0918","0.0017","23.342","0.002","90","","90","","120","","7368.2","1.1","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","JW251","","","- C49 H108 Ce3 O11 -","- C49 H108 Ce3 O11 -","- C196 H432 Ce12 O44 -","4","0.333333","","Helen C. Aspinall; John Bacsa; Anthony C. Jones; Jacqueline S. Wrench; Kate Black; Paul R. Chalker; Peter J. King; Paul Marshall; Matthew Werner; Hywel O. Davies; Rajesh Odedra","Ce(IV) Complexes with Donor-Functionalized Alkoxide Ligands: Improved Precursors for Chemical Vapor Deposition of CeO2","Inorganic Chemistry","2011","50","","11644","11652","10.1021/ic201593s","","","0.71073","MoKα","","0.0718","0.0474","","","0.1135","0.1221","","","","","","0.969","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326892","9.8993","0.0003","9.8993","0.0003","46.8411","0.0016","90","","90","","120","","3975.3","0.2","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","JW255","","","- C20 H48 Ce N4 O4 -","- C20 H48 Ce N4 O4 -","- C120 H288 Ce6 N24 O24 -","6","0.5","","Helen C. Aspinall; John Bacsa; Anthony C. Jones; Jacqueline S. Wrench; Kate Black; Paul R. Chalker; Peter J. King; Paul Marshall; Matthew Werner; Hywel O. Davies; Rajesh Odedra","Ce(IV) Complexes with Donor-Functionalized Alkoxide Ligands: Improved Precursors for Chemical Vapor Deposition of CeO2","Inorganic Chemistry","2011","50","","11644","11652","10.1021/ic201593s","","","0.71073","MoKα","","0.0244","0.024","","","0.0476","0.0477","","","","","","1.335","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326893","14.1982","0.0003","15.5521","0.0003","15.631","0.0003","114.523","0.001","107.331","0.001","91.174","0.001","2956.03","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H210 B2 Fe2 N2 O7 P6 -","- C118 H210 B2 Fe2 N2 O7 P6 -","- C118 H210 B2 Fe2 N2 O7 P6 -","1","0.5","","Caroline T. Saouma; Curtis E. Moore; Arnold L. Rheingold; Jonas C. Peters","A Five-Coordinate Phosphino/Acetate Iron(II) Scaffold That Binds N2, N2H2, N2H4, and NH3 in the Sixth Site","Inorganic Chemistry","2011","50","","11285","11287","10.1021/ic2016066","","","1.54178","CuKα","","0.0767","0.0603","","","0.1484","0.1584","","","","","","1.036","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326894","18.227","0.0006","19.7406","0.0008","31.1376","0.0012","90","","90.833","0.003","90","","11202.5","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C118 H196 B2 Fe2 N2 O4 P6 -","- C118 H196 B2 Fe2 N2 O4 P6 -","- C472 H784 B8 Fe8 N8 O16 P24 -","4","1","","Caroline T. Saouma; Curtis E. Moore; Arnold L. Rheingold; Jonas C. Peters","A Five-Coordinate Phosphino/Acetate Iron(II) Scaffold That Binds N2, N2H2, N2H4, and NH3 in the Sixth Site","Inorganic Chemistry","2011","50","","11285","11287","10.1021/ic2016066","","","1.54178","CuKα","","0.2058","0.1317","","","0.2847","0.3191","","","","","","1.1","","","","has coordinates,has disorder","179371","2020-10-21","18:00:00",""
"4326895","14.5464","0.0009","27.6742","0.0018","17.346","0.0011","90","","112.196","0.001","90","","6465.4","0.7","373","2","373","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H110 B Fe N O2 P3 -","- C68 H110 B Fe N O2 P3 -","- C272 H440 B4 Fe4 N4 O8 P12 -","4","1","","Caroline T. Saouma; Curtis E. Moore; Arnold L. Rheingold; Jonas C. Peters","A Five-Coordinate Phosphino/Acetate Iron(II) Scaffold That Binds N2, N2H2, N2H4, and NH3 in the Sixth Site","Inorganic Chemistry","2011","50","","11285","11287","10.1021/ic2016066","","","0.71073","MoKα","","0.0859","0.044","","","0.0964","0.1169","","","","","","1.01","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326896","18.216","0.003","10.638","0.003","28.07","0.006","90","","90.605","0.014","90","","5439","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H71 Mo4 N17 O37 P4 -","- C20 H66 Mo4 N20 O32 P4 -","- C80 H264 Mo16 N80 O128 P16 -","4","0.5","","Abhishek Banerjee; Farah S. Raad; Nina Vankova; Bassem S. Bassil; Thomas Heine; Ulrich Kortz","Polyoxomolybdodiphosphonates: Examples Incorporating Ethylidenepyridines","Inorganic Chemistry","2011","50","","11667","11675","10.1021/ic201652h","","","0.71073","MoKα","","0.0275","0.0238","","","0.0642","0.0668","","","","","","1.034","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326897","11.2994","0.0004","12.5679","0.0004","19.8205","0.0006","81.723","0.002","79.307","0.002","78.468","0.002","2693.25","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H70 Mo6 N20 O40 P4 -","- C18 H36 Mo6 N14 O35.25 P4 -","- C36 H72 Mo12 N28 O70.5 P8 -","2","1","","Abhishek Banerjee; Farah S. Raad; Nina Vankova; Bassem S. Bassil; Thomas Heine; Ulrich Kortz","Polyoxomolybdodiphosphonates: Examples Incorporating Ethylidenepyridines","Inorganic Chemistry","2011","50","","11667","11675","10.1021/ic201652h","","","0.71073","MoKα","","0.0692","0.0543","","","0.1481","0.1579","","","","","","1.025","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326898","25.3368","0.0011","25.3368","0.0011","8.0896","0.0004","90","","90","","90","","5193.1","0.4","173","2","173","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32 H72 Mo8 N16 Na8 O56 P8 -","- C36 H72 Mo8 N28 Na6 O65 P8 -","- C72 H144 Mo16 N56 Na12 O130 P16 -","2","0.25","","Abhishek Banerjee; Farah S. Raad; Nina Vankova; Bassem S. Bassil; Thomas Heine; Ulrich Kortz","Polyoxomolybdodiphosphonates: Examples Incorporating Ethylidenepyridines","Inorganic Chemistry","2011","50","","11667","11675","10.1021/ic201652h","","","0.71073","MoKα","","0.0717","0.0499","","","0.1472","0.1771","","","","","","1.01","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326899","30.636","0.002","16.5548","0.0012","28.872","0.002","90","","121.214","0.001","90","","12523.3","1.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(K-crypt)2(Ni2@GeSn16)en","","- C76 H160 Ge K4 N12 Ni2 O24 Sn16 -","- C76 H160 Ge K4 N12 Ni2 O24 Sn16 -","- C304 H640 Ge4 K16 N48 Ni8 O96 Sn64 -","4","0.5","","Miriam M. Gillett-Kunnath; Joseph I. Paik; Sara M. Jensen; Jacob D. Taylor; Slavi C. Sevov","Metal-Centered Deltahedral Zintl Ions: Synthesis of [Ni@Sn9]4- by direct Extraction from Intermetallic Precursors and of the Vertex-Fused Dimer [{Ni@Sn8(μ-Ge)1/2}2]4-","Inorganic Chemistry","2011","50","","11695","11701","10.1021/ic2016963","","","0.71073","MoKα","","0.0587","0.0397","","","0.0852","0.0969","","","","","","1.108","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326900","10.2754","0.0005","19.5442","0.0009","20.5576","0.0013","73.927","0.003","79.838","0.004","84.389","0.003","3899.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(K-18c6)3(KSn9)(C6H6)3","","- C54 H90 K4 Ni0.6 O18 Sn9 -","- C54 H90 K4 Ni0.602 O18 Sn9 -","- C108 H180 K8 Ni1.204 O36 Sn18 -","2","1","","Miriam M. Gillett-Kunnath; Joseph I. Paik; Sara M. Jensen; Jacob D. Taylor; Slavi C. Sevov","Metal-Centered Deltahedral Zintl Ions: Synthesis of [Ni@Sn9]4- by direct Extraction from Intermetallic Precursors and of the Vertex-Fused Dimer [{Ni@Sn8(μ-Ge)1/2}2]4-","Inorganic Chemistry","2011","50","","11695","11701","10.1021/ic2016963","","","0.71073","MoKα","","0.0401","0.0266","","","0.0658","0.083","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326901","15.8028","0.0008","16.235","0.0009","20.176","0.0012","98.714","0.001","104.469","0.001","118.389","0.001","4181.5","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)3(KSn9)","","- C54 H108 K4 N6 Ni O18 Sn9 -","- C54 H108 K4 N6 Ni O18 Sn9 -","- C108 H216 K8 N12 Ni2 O36 Sn18 -","2","1","","Miriam M. Gillett-Kunnath; Joseph I. Paik; Sara M. Jensen; Jacob D. Taylor; Slavi C. Sevov","Metal-Centered Deltahedral Zintl Ions: Synthesis of [Ni@Sn9]4- by direct Extraction from Intermetallic Precursors and of the Vertex-Fused Dimer [{Ni@Sn8(μ-Ge)1/2}2]4-","Inorganic Chemistry","2011","50","","11695","11701","10.1021/ic2016963","","","0.71073","MoKα","","0.0585","0.0372","","","0.0701","0.0782","","","","","","1.036","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326902","10.4153","0.0005","25.6788","0.0011","20.663","0.0009","90","","102.53","0.002","90","","5394.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K-18-crown-6)2(Ken)(K)(Ni@Sn9)en","","- C54 H120 K8 N6 Ni0.64 O24 Sn18 -","- C54 H120 K8 N6 Ni0.64 O24 Sn18 -","- C108 H240 K16 N12 Ni1.28 O48 Sn36 -","2","0.5","","Miriam M. Gillett-Kunnath; Joseph I. Paik; Sara M. Jensen; Jacob D. Taylor; Slavi C. Sevov","Metal-Centered Deltahedral Zintl Ions: Synthesis of [Ni@Sn9]4- by direct Extraction from Intermetallic Precursors and of the Vertex-Fused Dimer [{Ni@Sn8(μ-Ge)1/2}2]4-","Inorganic Chemistry","2011","50","","11695","11701","10.1021/ic2016963","","","0.71073","MoKα","","0.2378","0.0253","","","0.0447","0.0701","","","","","","0.917","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326903","36.0394","0.0014","8.7728","0.0004","9.9798","0.0004","90","","97.59","0.002","90","","3127.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H29 N P2 -","- C12 H29 N P2 -","- C96 H232 N8 P16 -","8","2","","Diane A. Dickie; Eric N. Coker; Richard A. Kemp","Formation of a Reversible, Intramolecular Main-Group Metal-CO2 Adduct","Inorganic Chemistry","2011","50","","11288","11290","10.1021/ic201697g","","","0.71073","MoKα","","0.1137","0.1069","","","0.26","0.2627","","","","","","1.293","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326904","15.7524","0.0016","11.7049","0.0012","17.5337","0.0016","90","","96.848","0.004","90","","3209.8","0.5","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 N2 P4 Sn -","- C24 H56 N2 P4 Sn -","- C96 H224 N8 P16 Sn4 -","4","1","","Diane A. Dickie; Eric N. Coker; Richard A. Kemp","Formation of a Reversible, Intramolecular Main-Group Metal-CO2 Adduct","Inorganic Chemistry","2011","50","","11288","11290","10.1021/ic201697g","","","0.71073","MoKα","","0.108","0.0938","","","0.2643","0.282","","","","","","1.08","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326905","8.9955","0.0018","9.2698","0.0019","23.265","0.005","88.35","0.03","89.39","0.03","62.3","0.03","1716.9","0.8","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H56 N2 O4 P4 Sn -","- C26 H56 N2 O4 P4 Sn -","- C52 H112 N4 O8 P8 Sn2 -","2","1","","Diane A. Dickie; Eric N. Coker; Richard A. Kemp","Formation of a Reversible, Intramolecular Main-Group Metal-CO2 Adduct","Inorganic Chemistry","2011","50","","11288","11290","10.1021/ic201697g","","","0.71073","MoKα","","0.0789","0.066","","","0.1816","0.1867","","","","","","1.196","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326906","16.7948","0.0013","12.4936","0.001","12.3028","0.0008","90","","108.744","0.005","90","","2444.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(hapto^6^-p-cymene){5-bromo-3-(7-methoxymethyl-1H-benzimidazol-kappaN-2-yl)- pyrazolo-kappaN-[3,4-b]pyridin-1-ide}chlroridoruthenium(II)","","- C25 H25 Br Cl N5 O Ru -","- C25 H25 Br Cl N5 O Ru -","- C100 H100 Br4 Cl4 N20 O4 Ru4 -","4","1","","Iryna N. Stepanenko; Maria S. Novak; Gerhard Mühlgassner; Alexander Roller; Michaela Hejl; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler","Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents","Inorganic Chemistry","2011","50","","11715","11728","10.1021/ic201704u","","","0.71073","MoKα","","0.1523","0.0547","","","0.1052","0.1355","","","","","","0.986","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326907","7.0878","0.0003","7.5561","0.0003","16.5281","0.0008","98.267","0.003","97.046","0.003","107.894","0.003","820.42","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine","","- C14 H14 Br2 N6 O -","- C14 H14 Br2 N6 O -","- C28 H28 Br4 N12 O2 -","2","1","","Iryna N. Stepanenko; Maria S. Novak; Gerhard Mühlgassner; Alexander Roller; Michaela Hejl; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler","Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents","Inorganic Chemistry","2011","50","","11715","11728","10.1021/ic201704u","","","0.71073","MoKα","","0.0563","0.0434","","","0.1144","0.1181","","","","","","1.092","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326908","8.5092","0.001","19.402","0.003","14.497","0.003","90","","91.531","0.005","90","","2392.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(hapto^6^-p-cymene){3-(1H-benzimidazol-kappaN-2-yl)-5-bromo- 1H-pyrazolo-kappaN-[3,4-b]pyridine}chloridoosmium(II) chloride","","- C23 H22 Br Cl2 N5 Os -","- C23 H22 Br Cl2 N5 Os -","- C92 H88 Br4 Cl8 N20 Os4 -","4","1","","Iryna N. Stepanenko; Maria S. Novak; Gerhard Mühlgassner; Alexander Roller; Michaela Hejl; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler","Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents","Inorganic Chemistry","2011","50","","11715","11728","10.1021/ic201704u","","","0.71073","MoKα","","0.1169","0.056","","","0.1036","0.1221","","","","","","0.939","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326909","8.4014","0.0008","13.1678","0.0014","13.7997","0.0016","81.446","0.004","81.191","0.005","76.887","0.005","1458.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(hapto^6^-p-cymene){3-(1H-benzimidazol-kappaN-2-yl)-5-bromo- 1H-pyrazolo-kappaN-[3,4-b]pyridine}chloridoosmium(II) chloride dimethanol dihydrate","","- C25 H34 Br Cl2 N5 O4 Os -","- C25 H34 Br Cl2 N5 O4 Os -","- C50 H68 Br2 Cl4 N10 O8 Os2 -","2","1","","Iryna N. Stepanenko; Maria S. Novak; Gerhard Mühlgassner; Alexander Roller; Michaela Hejl; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler","Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents","Inorganic Chemistry","2011","50","","11715","11728","10.1021/ic201704u","","","0.71073","MoKα","","0.0386","0.031","","","0.0769","0.0796","","","","","","1.087","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326910","19.2075","0.0013","7.789","0.0005","17.0807","0.0011","90","","99.334","0.004","90","","2521.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(hapto^6^-p-cymene){3-(1H-benzimidazol-kappaN-2-yl)-1H-pyrazolo- kappaN-[3,4-b]pyridine}chloridoosmium(II) chloride tetrahydrate","","- C23 H31 Cl2 N5 O4 Os -","- C23 H31 Cl2 N5 O4 Os -","- C92 H124 Cl8 N20 O16 Os4 -","4","1","","Iryna N. Stepanenko; Maria S. Novak; Gerhard Mühlgassner; Alexander Roller; Michaela Hejl; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler","Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents","Inorganic Chemistry","2011","50","","11715","11728","10.1021/ic201704u","","","0.71073","MoKα","","0.0967","0.0531","","","0.0922","0.1072","","","","","","1.011","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326911","9.9942","0.0009","15.437","0.0013","17.8076","0.0017","104.38","0.005","93.139","0.005","98.859","0.004","2617.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(hapto^6^p-cymene){5-bromo-3-(7-methoxymethyl-1H-benzimidazol-kappaN-2-yl)- 1H-pyrazolo-kappaN-[3,4-b]pyridine}chloridoruthenium(II) chloride- (hapto^6^p-cymene){5-bromo-3-(7-methoxymethyl-1H-benzimidazol-kappaN-2-yl)- -pyrazolo-kappaN-[3,4-b]pyridin-1-ide}chloridoruthenium(II) methanol solvate","","- C51 H55 Br2 Cl3 N10 O3 Ru2 -","- C51 H55 Br2 Cl3 N10 O3 Ru2 -","- C102 H110 Br4 Cl6 N20 O6 Ru4 -","2","1","","Iryna N. Stepanenko; Maria S. Novak; Gerhard Mühlgassner; Alexander Roller; Michaela Hejl; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler","Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents","Inorganic Chemistry","2011","50","","11715","11728","10.1021/ic201704u","","","0.71073","MoKα","","0.0961","0.0512","","","0.1223","0.1411","","","","","","1.048","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326912","10.0042","0.0005","15.3936","0.0008","17.805","0.0009","104.233","0.002","93.029","0.002","98.683","0.003","2615.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(hapto^6^p-cymene){5-bromo-3-(7-methoxymethyl-1H-benzimidazol-kappaN-2-yl)- 1H-pyrazolo-kappaN-[3,4-b]pyridine}chloridoosmium(II) chloride- (hapto^6^p-cymene){5-bromo-3-(7-methoxymethyl-1H-benzimidazol-kappaN-2-yl)- -pyrazolo-kappaN-[3,4-b]pyridin-1-ide}chloridoosmium(II) methanol water solvate","","- C50.75 H54.5 Br2 Cl3 N10 O3 Os2 -","- C50.75 H54 Br2 Cl3 N10 O3 Os2 -","- C101.5 H108 Br4 Cl6 N20 O6 Os4 -","2","1","","Iryna N. Stepanenko; Maria S. Novak; Gerhard Mühlgassner; Alexander Roller; Michaela Hejl; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler","Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents","Inorganic Chemistry","2011","50","","11715","11728","10.1021/ic201704u","","","0.71073","MoKα","","0.0837","0.0442","","","0.0954","0.1055","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326913","16.804","0.003","17.587","0.003","17.973","0.003","105.619","0.009","90.102","0.009","105.726","0.009","4907.9","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H68 I2 O P4 Pt2 -","- C40 H68 I2 P4 Pt2 -","- C160 H272 I8 P16 Pt8 -","4","2","","Sankarasekaran Shanmugaraju; Sachin A. Joshi; Partha Sarathi Mukherjee","Self-Assembly of Metallamacrocycles Using a Dinuclear Organometallic Acceptor: Synthesis, Characterization, and Sensing Study","Inorganic Chemistry","2011","50","","11736","11745","10.1021/ic201745y","","","0.71073","MoKα","","0.0187","0.0187","","","0.0693","0.0693","","","","","","0.94","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326914","17.4863","0.0005","17.4863","0.0005","8.5815","0.0005","90","","90","","120","","2272.43","0.16","150","2","150","2","","","","","","","","7","P 65","P 65","170","","tris nitromethane nitrosyl nickel hexafluorophosphate","","- C4 H9 F6 N4 Ni O7 P -","- C4 H9 F6 N4 Ni O7 P -","- C24 H54 F36 N24 Ni6 O42 P6 -","6","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6]","Inorganic Chemistry","2011","50","","11746","11753","10.1021/ic201821t","","","0.71073","MoKα","","0.0755","0.0541","","","0.1361","0.155","","","","","","1.087","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326915","8.4116","0.0007","12.0802","0.0009","15.8266","0.0012","90","","93.449","0.002","90","","1605.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","diethyl ether bis-nitromethane nitrosyl nickel hexafluorophosphate","","- C6 H16 F6 N3 Ni O6 P -","- C6 H16 F6 N3 Ni O6 P -","- C24 H64 F24 N12 Ni4 O24 P4 -","4","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6]","Inorganic Chemistry","2011","50","","11746","11753","10.1021/ic201821t","","","0.71073","MoKα","","0.0832","0.0563","","","0.1565","0.1753","","","","","","0.983","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326916","21.2921","0.0015","19.4726","0.0014","10.6911","0.0008","90","","90","","90","","4432.7","0.6","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","tris acetonitrile nitrosyl nickel (0) hexafluorophosphate","","- C19 H27 Cl2 F18 N12 Ni3 O3 P3 -","- C19 H27 Cl2 F18 N12 Ni3 O3 P3 -","- C76 H108 Cl8 F72 N48 Ni12 O12 P12 -","4","0.5","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6]","Inorganic Chemistry","2011","50","","11746","11753","10.1021/ic201821t","","","0.71073","MoKα","","0.0869","0.0486","","","0.1069","0.1206","","","","","","0.973","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326917","23.003","0.005","7.9837","0.0018","16.518","0.004","90","","120.773","0.003","90","","2606.4","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","eta-6-mesitylene nitrosyl nickel hexafluorophosphate","","- C9 H12 F6 N Ni O P -","- C9 H12 F6 N Ni O P -","- C72 H96 F48 N8 Ni8 O8 P8 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6]","Inorganic Chemistry","2011","50","","11746","11753","10.1021/ic201821t","","","0.71073","MoKα","","0.0919","0.0518","","","0.104","0.1198","","","","","","0.937","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326918","10.1766","0.0006","9.5538","0.0006","12.494","0.0007","90","","110.257","0.001","90","","1139.6","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","eta-6-methoxybenzene nitrosyl nickel hexafluorophosphate","","- C7 H8 F6 N Ni O2 P -","- C7 H8 F6 N Ni O2 P -","- C28 H32 F24 N4 Ni4 O8 P4 -","4","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6]","Inorganic Chemistry","2011","50","","11746","11753","10.1021/ic201821t","","","0.71073","MoKα","","0.0434","0.0336","","","0.0789","0.083","","","","","","1.061","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326919","28.6556","0.0014","18.2788","0.0009","13.6636","0.0007","90","","90","","90","","7156.9","0.6","294","2","294","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H59.84 N4 O21.92 S2 Zn2 -","- C80 H52 N4 O21.92 S2 Zn2 -","- C320 H208 N16 O87.68 S8 Zn8 -","4","","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Zinc Paddlewheel Dimers Containing a Strong π...π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange","Inorganic Chemistry","2011","50","","11754","11764","10.1021/ic201830h","","","0.71073","MoKα","","0.0587","0.0468","","","0.1393","0.148","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326920","28.488","0.002","18.4743","0.0013","14.0764","0.001","90","","90","","90","","7408.4","0.9","295","2","295","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C82 H56 Cl4 N4 O18 S2 Zn2 -","- C82 H56 Cl4 N4 O18 S2 Zn2 -","- C328 H224 Cl16 N16 O72 S8 Zn8 -","4","","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Zinc Paddlewheel Dimers Containing a Strong π...π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange","Inorganic Chemistry","2011","50","","11754","11764","10.1021/ic201830h","","","0.71073","MoKα","","0.06","0.0529","","","0.1468","0.1548","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326921","28.332","0.003","18.5103","0.0017","14.0046","0.0012","90","","92.769","0.002","90","","7335.9","1.2","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H56 Cl4 N4 O18 S2 Zn2 -","- C82 H56 Cl4 N4 O18 S2 Zn2 -","- C328 H224 Cl16 N16 O72 S8 Zn8 -","4","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Zinc Paddlewheel Dimers Containing a Strong π...π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange","Inorganic Chemistry","2011","50","","11754","11764","10.1021/ic201830h","","","0.71073","MoKα","","0.0818","0.0576","","","0.1394","0.1482","","","","","","0.995","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326922","16.8397","0.0016","13.9012","0.0014","16.8551","0.0016","90","","113.631","0.002","90","","3614.8","0.6","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H56 Cl4 N4 O18 S2 Zn2 -","- C82 H56 Cl4 N4 O18 S2 Zn2 -","- C164 H112 Cl8 N8 O36 S4 Zn4 -","2","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Zinc Paddlewheel Dimers Containing a Strong π...π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange","Inorganic Chemistry","2011","50","","11754","11764","10.1021/ic201830h","","","0.71073","MoKα","","0.034","0.0326","","","0.0851","0.0863","","","","","","1.063","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326923","28.538","0.003","18.3527","0.0017","13.7243","0.0013","90","","90","","90","","7188.1","1.2","294","2","294","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H56.67 N4 O20.34 S2 Zn2 -","- C80 H54 N4 O20.336 S2 Zn2 -","- C320 H216 N16 O81.344 S8 Zn8 -","4","","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Zinc Paddlewheel Dimers Containing a Strong π...π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange","Inorganic Chemistry","2011","50","","11754","11764","10.1021/ic201830h","","","0.71073","MoKα","","0.0621","0.0472","","","0.1378","0.146","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326924","12.2506","0.0004","8.0518","0.0003","23.3796","0.0008","90","","90.011","0.002","90","","2306.15","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 O24 Si10 U -","- Cs2 O24 Si10 U -","- Cs8 O96 Si40 U4 -","4","1","","Hsin-Kuan Liu; Wen-Jung Chang; Kwang-Hwa Lii","High-Temperature, High-Pressure Hydrothermal Synthesis and Characterization of an Open-Framework Uranyl Silicate with Nine-Ring Channels: Cs2UO2Si10O22","Inorganic Chemistry","2011","50","","11773","11776","10.1021/ic201857e","","","0.71073","MoKα","","0.0501","0.0381","","","0.093","0.0959","","","","","","1.22","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326925","52.143","0.004","52.143","0.004","31.87","0.003","90","","90","","120","","75042","11","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C344 H224 N24 O60 Zn16 -","- C344 H223.98 N24 O60 Zn16 -","- C1032 H671.94 N72 O180 Zn48 -","3","0.333333","","Manolis J. Manos; Marios S. Markoulides; Christos D. Malliakas; Giannis S. Papaefstathiou; Nikos Chronakis; Mercouri G. Kanatzidis; Pantelis N. Trikalitis; Anastasios J. Tasiopoulos","A Highly Porous Interpenetrated Metal-Organic Framework from the Use of a Novel Nanosized Organic Linker","Inorganic Chemistry","2011","50","","11297","11299","10.1021/ic201919q","","","0.71073","MoKα","","0.1222","0.0402","","","0.0708","0.0807","","","","","","0.944","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326926","15.2721","0.0011","15.4506","0.0012","14.4011","0.0011","90","","114.629","0.005","90","","3089","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 B11 Cl11 Zn -","- C15 H18 B11 Cl11 Zn -","- C60 H72 B44 Cl44 Zn4 -","4","1","","Rudolf J. Wehmschulte; Lukasz Wojtas","Cationic Ethylzinc Compound: A Benzene Complex with Catalytic Activity in Hydroamination and Hydrosilylation Reactions","Inorganic Chemistry","2011","50","","11300","11302","10.1021/ic201921d","","","1.54178","CuKα","","0.0809","0.0515","","","0.1193","0.1364","","","","","","1.009","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326927","13.7222","0.0004","14.7137","0.0004","19.2699","0.0008","95.465","0.002","107.795","0.003","117.551","0.002","3152.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H57 B11 Cl11 N3 Zn -","- C52 H57 B11 Cl11 N3 Zn -","- C104 H114 B22 Cl22 N6 Zn2 -","2","1","","Rudolf J. Wehmschulte; Lukasz Wojtas","Cationic Ethylzinc Compound: A Benzene Complex with Catalytic Activity in Hydroamination and Hydrosilylation Reactions","Inorganic Chemistry","2011","50","","11300","11302","10.1021/ic201921d","","","1.54178","CuKα","","0.0994","0.0676","","","0.1554","0.1708","","","","","","1.035","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326928","18.9815","0.001","17.2569","0.0009","19.6744","0.001","90","","94.834","0.001","90","","6421.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gold/Palladium Carbonyl Phosphine Cluster","","","- C86 H150 Au2 O26 P10 Pd28.15 -","- C86 H150 Au2 O26 P10 Pd28.14 -","- C172 H300 Au4 O52 P20 Pd56.28 -","2","0.5","","Evgueni G. Mednikov; Sergei A. Ivanov; Lawrence F. Dahl","CO-Induced Formation of an Interpenetrating Bicuboctahedral Au2Pd18 Kernel in Nanosized Au2Pd28(CO)26(PEt3)10: Formal Replacement of an Interior (μ12-Pd)2 Fragment in the Corresponding Known Isostructural Homopalladium Pd30(CO)26(PEt3)10 with Nonisovalent (μ12-Au)2 and Resulting Experimental/Theoretical Implications","Inorganic Chemistry","2011","50","","11795","11806","10.1021/ic201923y","","","0.71073","MoKα","","0.0245","0.0212","","","0.0511","0.0533","","","","","","0.802","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326929","18.215","0.002","10.7667","0.0013","17.888","0.002","90","","118.184","0.002","90","","3092.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 B N6 O Y -","- C31 H42 B N6 O Y -","- C124 H168 B4 N24 O4 Y4 -","4","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0716","0.0434","","","0.1106","0.1252","","","","","","1.037","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326930","9.8463","0.0019","16.59","0.003","19.781","0.004","90","","96.128","0.003","90","","3212.8","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 B N6 O Y -","- C32 H40 B N6 O Y -","- C128 H160 B4 N24 O4 Y4 -","4","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0766","0.043","","","0.1117","0.1304","","","","","","0.959","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326931","12.421","0.004","13.034","0.004","13.222","0.004","83.886","0.004","75.816","0.004","64.566","0.003","1874.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 B N8 Y -","- C34 H48 B N8 Y -","- C68 H96 B2 N16 Y2 -","2","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0853","0.0547","","","0.1433","0.1538","","","","","","0.994","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326932","10.71","0.005","10.896","0.005","19.137","0.008","76.941","0.006","75.218","0.006","66.994","0.005","1967.5","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 B N8 Y -","- C40 H56 B N8 Y -","- C80 H112 B2 N16 Y2 -","2","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0686","0.0415","","","0.08","0.0881","","","","","","0.907","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326933","49.363","0.019","49.363","0.013","10.871","0.004","90","","90","","120","","22941","14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C52 H68 B N8 Y -","- C52 H68 B N8 Y -","- C936 H1224 B18 N144 Y18 -","18","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.1106","0.0533","","","0.1137","0.1316","","","","","","0.784","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326934","10.703","0.004","12.479","0.005","16.059","0.006","72.488","0.004","74.979","0.004","66.018","0.004","1845.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46 B N7 S Y -","- C37 H46 B N7 S Y -","- C74 H92 B2 N14 S2 Y2 -","2","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0825","0.0542","","","0.1173","0.1233","","","","","","0.977","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326935","15.777","0.006","10.716","0.004","19.971","0.007","90","","104.75","0.005","90","","3265","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 B N7 O Y -","- C34 H39 B N7 O Y -","- C136 H156 B4 N28 O4 Y4 -","4","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0936","0.053","","","0.1256","0.142","","","","","","0.936","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326936","17.901","0.007","8.446","0.003","20.014","0.007","90","","98.456","0.005","90","","2993.1","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B N6 S2 Y -","- C28 H34 B N6 S2 Y -","- C112 H136 B4 N24 S8 Y4 -","4","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0853","0.0377","","","0.0595","0.0703","","","","","","0.856","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326937","9.769","0.003","10.814","0.004","20.836","0.007","94.686","0.005","98.712","0.005","116.286","0.004","1923.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H53 B N8 Y -","- C38 H53 B N8 Y -","- C76 H106 B2 N16 Y2 -","2","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0857","0.0526","","","0.1345","0.1531","","","","","","0.939","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326938","10.981","0.004","23.551","0.008","17.615","0.006","90","","99.677","0.005","90","","4491","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 B N8 O Y -","- C45 H54 B N8 O Y -","- C180 H216 B4 N32 O4 Y4 -","4","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0994","0.0552","","","0.154","0.1684","","","","","","0.943","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326939","21.913","0.007","8.719","0.003","18.341","0.006","90","","90","","90","","3504","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H37 B N7 S Y -","- C35 H37 B N7 S Y -","- C140 H148 B4 N28 S4 Y4 -","4","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.064","0.0413","","","0.0982","0.115","","","","","","0.919","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326940","10.957","0.005","12.032","0.006","13.2","0.007","93.843","0.007","94.354","0.007","106.606","0.007","1655.6","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H45 B N7 O Y -","- C33 H45 B N7 O Y -","- C66 H90 B2 N14 O2 Y2 -","2","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.0999","0.0695","","","0.2035","0.2187","","","","","","1.021","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326941","8.183","0.0016","7.578","0.0015","8.6244","0.0017","90","","90","","90","","534.81","0.18","293","2","293","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Cs F13 Th3 -","- Cs F13 Th3 -","- Cs2 F26 Th6 -","2","0.5","","Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides","Inorganic Chemistry","2011","50","","11825","11831","10.1021/ic2019555","","","0.71073","MoKα","","0.0379","0.0327","","","0.0687","0.0711","","","","","","1.02","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326942","8.2607","0.0012","8.2607","0.0012","8.6519","0.0017","90","","90","","120","","511.3","0.15","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Cs F13 Th3 -","- Cs F12.5 Th3 -","- Cs2 F25 Th6 -","2","0.0833333","","Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides","Inorganic Chemistry","2011","50","","11825","11831","10.1021/ic2019555","","","0.71073","MoKα","","0.0394","0.0393","","","0.0976","0.0977","","","","","","1.187","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326943","8.1805","0.0016","7.4378","0.0015","8.6594","0.0017","90","","90","","90","","526.88","0.18","293","2","293","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- F13 Rb Th3 -","- F13 Rb Th3 -","- F26 Rb2 Th6 -","2","0.5","","Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides","Inorganic Chemistry","2011","50","","11825","11831","10.1021/ic2019555","","","0.71073","MoKα","","0.0364","0.0301","","","0.055","0.0576","","","","","","1.093","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326944","8.9101","0.0018","11.829","0.002","7.1692","0.0014","90","","90","","90","","755.6","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F9 Rb Th2 -","- F9 Rb Th2 -","- F36 Rb4 Th8 -","4","0.5","","Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides","Inorganic Chemistry","2011","50","","11825","11831","10.1021/ic2019555","","","0.71073","MoKα","","0.0829","0.0797","","","0.2327","0.237","","","","","","1.079","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326945","15.609","0.002","15.609","0.002","10.823","0.002","90","","90","","120","","2283.6","0.6","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- F31 Rb7 Th6 -","- F32 Rb7 Th6 -","- F96 Rb21 Th18 -","3","0.166667","","Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides","Inorganic Chemistry","2011","50","","11825","11831","10.1021/ic2019555","","","0.71073","MoKα","","0.0461","0.0357","","","0.0818","0.0869","","","","","","1.119","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326946","20.201","0.004","20.201","0.004","20.201","0.004","90","","90","","90","","8244","3","296.1","","296.1","","","","","","","","","7","P -4 3 n","P -4n 2 3","218","","","","- C30 H51 Cl F6 Fe N9 P -","- C30 H51 Cl F6.75 Fe N9 P -","- C240 H408 Cl8 F54 Fe8 N72 P8 -","8","0.333333","","Koshiro Nishi; Naohide Matsumoto; Seiichiro Iijima; Malcolm A. Halcrow; Yukinari Sunatsuki; Masaaki Kojima","A Hydrogen Bond Motif Giving a Variety of Supramolecular Assembly Structures and Spin-Crossover Behaviors","Inorganic Chemistry","2011","50","","11303","11305","10.1021/ic201993z","","","0.71075","MoKα","","","0.0431","","","","0.098","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326947","12.531","0.008","12.159","0.009","16.906","0.013","90","","90.12","0.03","90","","2576","3","296.1","","296.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Cl F6 Fe N9 P -","- C18 H27 Cl F6 Fe N9 P -","- C72 H108 Cl4 F24 Fe4 N36 P4 -","4","1","","Koshiro Nishi; Naohide Matsumoto; Seiichiro Iijima; Malcolm A. Halcrow; Yukinari Sunatsuki; Masaaki Kojima","A Hydrogen Bond Motif Giving a Variety of Supramolecular Assembly Structures and Spin-Crossover Behaviors","Inorganic Chemistry","2011","50","","11303","11305","10.1021/ic201993z","","","0.71075","MoKα","","","0.0634","","","","0.1795","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326948","10.846","0.006","16.512","0.008","17.956","0.009","90","","108.029","0.019","90","","3058","3","296.1","","296.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Cl F6 Fe N9 P -","- C21 H33 Cl F6 Fe N9 P -","- C84 H132 Cl4 F24 Fe4 N36 P4 -","4","1","","Koshiro Nishi; Naohide Matsumoto; Seiichiro Iijima; Malcolm A. Halcrow; Yukinari Sunatsuki; Masaaki Kojima","A Hydrogen Bond Motif Giving a Variety of Supramolecular Assembly Structures and Spin-Crossover Behaviors","Inorganic Chemistry","2011","50","","11303","11305","10.1021/ic201993z","","","0.71075","MoKα","","","0.0669","","","","0.1873","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326949","10.579","0.004","12.839","0.006","13.163","0.007","86.376","0.02","72.33","0.02","80.343","0.019","1679.2","1.4","296.1","","296.1","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl F6 Fe N9 P -","- C24 H39 Cl F6 Fe N9 P -","- C48 H78 Cl2 F12 Fe2 N18 P2 -","2","1","","Koshiro Nishi; Naohide Matsumoto; Seiichiro Iijima; Malcolm A. Halcrow; Yukinari Sunatsuki; Masaaki Kojima","A Hydrogen Bond Motif Giving a Variety of Supramolecular Assembly Structures and Spin-Crossover Behaviors","Inorganic Chemistry","2011","50","","11303","11305","10.1021/ic201993z","","","0.71075","MoKα","","","0.0621","","","","0.2176","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326950","11.211","0.007","13.206","0.006","13.315","0.007","86.934","0.019","69.93","0.03","81.7","0.03","1832.2","1.8","243","","243","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H45 Cl F6 Fe N9 P -","- C27 H37 Cl F6 Fe N9 P -","- C54 H74 Cl2 F12 Fe2 N18 P2 -","2","1","","Koshiro Nishi; Naohide Matsumoto; Seiichiro Iijima; Malcolm A. Halcrow; Yukinari Sunatsuki; Masaaki Kojima","A Hydrogen Bond Motif Giving a Variety of Supramolecular Assembly Structures and Spin-Crossover Behaviors","Inorganic Chemistry","2011","50","","11303","11305","10.1021/ic201993z","","","0.71075","MoKα","","","0.1223","","","","0.3338","","","","","","1.001","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326951","19.4499","0.0011","23.2599","0.0013","21.411","0.0012","90","","90.431","0.002","90","","9686.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H68 Mn3 N14 O10 W -","- C83 H60 Mn3 N14 O10 W -","- C332 H240 Mn12 N56 O40 W4 -","4","1","","Jung Hee Yoon; Jin Wuk Lee; Dae Won Ryu; Sang Yup Choi; Sung Won Yoon; Byoung Jin Suh; Eui Kwan Koh; Hyoung Chan Kim; Chang Seop Hong","Cyanide-Bridged WVMnIII Single-Chain Magnet with Isolated MnIII Moieties Exhibiting Two Types of Relaxation Dynamics","Inorganic Chemistry","2011","50","","11306","11308","10.1021/ic202100y","","","0.71073","MoKα","","0.0933","0.0524","","","0.1085","0.1191","","","","","","0.996","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326952","9.401","0.002","12.936","0.003","23.41","0.005","91.932","0.002","94.16","0.002","105.874","0.003","2726.9","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H43 N8 O4 Pd Re S -","- C66 H43 N8 O4 Pd Re S -","- C132 H86 N16 O8 Pd2 Re2 S2 -","2","1","","Jacob Schneider; Khuong Q. Vuong; James A. Calladine; Xue-Zhong Sun; Adrian C. Whitwood; Michael W. George; Robin N. Perutz","Photochemistry and Photophysics of a Pd(II) Metalloporphyrin: Re(I) Tricarbonyl Bipyridine Molecular Dyad and its Activity Toward the Photoreduction of CO2 to CO","Inorganic Chemistry","2011","50","","11877","11889","10.1021/ic200243y","","","0.6889","synchrotron","","0.0734","0.047","","","0.1051","0.1151","","","","","","1.047","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326953","7.58033","0.00008","7.58033","","37.1321","0.0007","90","","90","","120","","1847.81","0.04","623","","","","","","","","","","","3","P 31","P 31","144","","Dibusmuth ditin heptaoxide - beta","","- Bi2 O7 Sn2 -","- Bi2 O7 Sn2 -","- Bi24 O84 Sn24 -","12","4","","Ashkan Salamat; Andrew L. Hector; Paul F. McMillan; Clemens Ritter","Structure, Bonding, and Phase Relations in Bi2Sn2O7 and Bi2Ti2O7 Pyrochlores: New Insights from High Pressure and High Temperature Studies","Inorganic Chemistry","2011","50","","11905","11913","10.1021/ic200841v","powder diffraction","neutron","1.59432","","","","","","","","","0.06339","","1.02","","","","","","","has coordinates,has Fobs","179372","2020-10-21","18:00:00",""
"4326954","8.4911","0.0005","12.9468","0.0008","15.018","0.0009","91.137","0.004","92.512","0.004","97.786","0.004","1633.62","0.17","117","2","117","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H44 B2 Co F8 N4 P4 -","- C20 H44 B2 Co F8 N4 P4 -","- C40 H88 B4 Co2 F16 N8 P8 -","2","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","1.54178","CuKα","","0.1121","0.0537","","","0.1365","0.1656","","","","","","1.011","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326955","9.691","0.0002","11.9736","0.0002","24.4141","0.0005","90","","96.651","0.001","90","","2813.85","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 Co P4 S2 -","- C24 H43 Co P4 S2 -","- C96 H172 Co4 P16 S8 -","4","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","1.54178","CuKα","","0.037","0.0353","","","0.091","0.0923","","","","","","1.041","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326956","12.4445","0.0003","9.1456","0.0002","20.0098","0.0004","90","","97.582","0.001","90","","2257.45","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H35 B Co F4 N P4 -","- C14 H35 B Co F4 N P4 -","- C56 H140 B4 Co4 F16 N4 P16 -","4","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","1.54178","CuKα","","0.0308","0.0295","","","0.0802","0.0811","","","","","","1.038","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326957","22.732","0.0006","19.6783","0.0005","19.1975","0.0005","90","","91.126","0.001","90","","8585.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H105 B4 Co2 F16 N3 P8 -","- C78 H105 B4 Co2 F16 N3 P8 -","- C312 H420 B16 Co8 F64 N12 P32 -","4","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","0.71073","MoKα","","0.0818","0.0453","","","0.1004","0.1162","","","","","","1.013","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326958","18.183","0.0017","18.9977","0.0017","19.7711","0.0018","90","","90","","90","","6829.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H49 Co P4 -","- C36 H49 Co P4 -","- C288 H392 Co8 P32 -","8","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","0.71073","MoKα","","0.0712","0.0399","","","0.0839","0.0954","","","","","","1.01","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326959","10.4373","0.0013","17.858","0.002","20.266","0.003","74.868","0.006","82.2","0.005","84.762","0.005","3606.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H96 B2 Co2 F8 P8 -","- C72 H96 B2 Co2 F8 P8 -","- C144 H192 B4 Co4 F16 P16 -","2","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","0.71073","MoKα","","0.1093","0.0728","","","0.1873","0.224","","","","","","1.024","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326960","9.217","0.001","19.204","0.002","12.285","0.0014","90","","97.625","0.005","90","","2155.3","0.4","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 B Co F4 P4 -","- C12 H34 B Co F4 P4 -","- C48 H136 B4 Co4 F16 P16 -","4","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","0.71073","MoKα","","0.0889","0.0471","","","0.1081","0.1268","","","","","","1.02","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326961","41.817","0.002","22.9904","0.0011","9.7774","0.0005","90","","95.631","0.002","90","","9354.5","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H82.5 Co2.5 P10 -","- C30 H82.5 Co2.5 P10 -","- C240 H660 Co20 P80 -","8","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","0.71073","MoKα","","0.0726","0.0508","","","0.111","0.1262","","","","","","1.025","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326962","12.0642","0.0003","10.0238","0.0003","33.6406","0.0009","90","","92.516","0.001","90","","4064.21","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 B Ni P4 S -","- C42 H57 B Ni P4 S -","- C168 H228 B4 Ni4 P16 S4 -","4","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","0.71073","MoKα","","0.0974","0.0656","","","0.1274","0.1386","","","","","","1.067","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326963","10.5119","0.0005","25.6399","0.0011","14.7044","0.0007","90","","91.307","0.002","90","","3962.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 B Co F4 O P4 -","- C40 H58 B Co F4 O P4 -","- C160 H232 B4 Co4 F16 O4 P16 -","4","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","0.71073","MoKα","","0.18","0.0622","","","0.1338","0.1732","","","","","","1.004","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326964","26.4182","0.0019","13.1752","0.0003","27.9765","0.0016","90","","115.532","0.008","90","","8786.7","1","93.1","","93","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C37.72 H45.48 Cl3.62 F6 N6 Ru S Sb -","- C37.62 H35 Cl3.62 F6 N6 Ru S Sb -","- C300.96 H280 Cl28.96 F48 N48 Ru8 S8 Sb8 -","8","1","","Timothy P. Brewster; Wendu Ding; Nathan D. Schley; Nilay Hazari; Victor S. Batista; Robert H. Crabtree","Thiocyanate Linkage Isomerism in a Ruthenium Polypyridyl Complex","Inorganic Chemistry","2011","50","","11938","11946","10.1021/ic200950e","","","1.54187","CuKα","","","0.0743","","","","0.2184","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326965","9.03868","0.00017","14.3405","0.0003","19.7694","0.0014","109.298","0.008","94.668","0.007","98.865","0.007","2365.4","0.2","93.1","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 Cl6 F6 N6 Ru S Sb -","- C40 H47 Cl6 F6 N6 Ru S Sb -","- C80 H94 Cl12 F12 N12 Ru2 S2 Sb2 -","2","1","","Timothy P. Brewster; Wendu Ding; Nathan D. Schley; Nilay Hazari; Victor S. Batista; Robert H. Crabtree","Thiocyanate Linkage Isomerism in a Ruthenium Polypyridyl Complex","Inorganic Chemistry","2011","50","","11938","11946","10.1021/ic200950e","","","1.54187","CuKα","","","0.057","","","","0.156","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326966","21.5664","0.0017","17.0892","0.0014","15.4327","0.0012","90","","117.003","0.001","90","","5067.7","0.7","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C50 H38 Cl3 N3 O Ru S -","- C50 H38 Cl3 N3 O Ru S -","- C200 H152 Cl12 N12 O4 Ru4 S4 -","4","0.5","","Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung","Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin","Inorganic Chemistry","2011","50","","11947","11957","10.1021/ic200977n","","","0.71073","MoKα","","0.064","0.0489","","","0.1427","0.1563","","","","","","0.729","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326967","22.6857","0.0013","17.1532","0.0011","15.5257","0.0009","90","","119.145","0.001","90","","5276.6","0.5","295","2","295","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C50 H38 Cl2 N4 O4 Ru S -","- C50 H38 Cl2 N4 O4 Ru S -","- C200 H152 Cl8 N16 O16 Ru4 S4 -","4","0.5","","Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung","Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin","Inorganic Chemistry","2011","50","","11947","11957","10.1021/ic200977n","","","0.71073","MoKα","","0.0652","0.0536","","","0.1885","0.1989","","","","","","0.751","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326968","21.877","0.004","17.06","0.003","15.357","0.003","90","","116.9","0.03","90","","5111","2","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C50 H38 Cl2 N4 O3 Ru S -","- C50 H38 Cl2 N4 O3 Ru S -","- C200 H152 Cl8 N16 O12 Ru4 S4 -","4","0.5","","Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung","Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin","Inorganic Chemistry","2011","50","","11947","11957","10.1021/ic200977n","","","0.71073","MoKα","","0.0503","0.0384","","","0.1106","0.1189","","","","","","0.714","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326969","13.245","0.001","14.4126","0.001","15.1075","0.0011","68.807","0.001","71.687","0.002","76.3","0.001","2527.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H36 N6 O Ru S -","- C49 H36 N6 O Ru S -","- C98 H72 N12 O2 Ru2 S2 -","2","1","","Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung","Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin","Inorganic Chemistry","2011","50","","11947","11957","10.1021/ic200977n","","","0.71073","MoKα","","0.0654","0.0448","","","0.1195","0.1273","","","","","","0.739","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326970","21.218","0.002","16.921","0.002","15.4948","0.0016","90","","116.673","0.003","90","","4971.1","0.9","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H36 Cl2 N3 Ru S -","- C48 H36 Cl2 N3 Ru S -","- C192 H144 Cl8 N12 Ru4 S4 -","4","0.5","","Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung","Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin","Inorganic Chemistry","2011","50","","11947","11957","10.1021/ic200977n","","","0.71073","MoKα","","0.1275","0.055","","","0.1574","0.1701","","","","","","0.614","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326971","18.6072","0.0017","7.8135","0.0007","17.3417","0.0016","90","","90","","90","","2521.3","0.4","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C48 H36 N4 O6 Ru S2 -","- C48 H36 N4 O6 Ru S2 -","- C96 H72 N8 O12 Ru2 S4 -","2","0.25","","Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung","Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin","Inorganic Chemistry","2011","50","","11947","11957","10.1021/ic200977n","","","0.71073","MoKα","","0.0709","0.0543","","","0.145","0.1557","","","","","","0.707","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326972","9.171","0.002","26.666","0.007","13.984","0.004","90","","93.957","0.005","90","","3411.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H60 N2 Ru S2 Se4 -","- C74 H60 N2 Ru S2 Se4 -","- C148 H120 N4 Ru2 S4 Se8 -","2","0.5","","Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung","Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin","Inorganic Chemistry","2011","50","","11947","11957","10.1021/ic200977n","","","0.71073","MoKα","","0.0985","0.0611","","","0.1881","0.2028","","","","","","0.711","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326973","13.2466","0.0005","14.4982","0.0005","18.8129","0.0006","67.637","0.003","87.976","0.003","63.495","0.004","2950.4","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H44 F18 N13 P3 Ru2 -","- C55 H44 F18 N13 P3 Ru2 -","- C110 H88 F36 N26 P6 Ru4 -","2","1","","Chia-Nung Tsai; Marco M. Allard; Richard L. Lord; Dao-Wen Luo; Yuan-Jang Chen; H. Bernhard Schlegel; John F. Endicott","Characterization of Low Energy Charge Transfer Transitions in (terpyridine)(bipyridine)Ruthenium(II) Complexes and their Cyanide-Bridged Bi- and Tri-Metallic Analogues","Inorganic Chemistry","2011","50","","11965","11977","10.1021/ic2010387","","x-ray","0.71073","MoKα","","0.0506","0.0353","","","0.1023","0.1053","","","","","","1.039","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326974","14.2454","0.0004","14.6811","0.0004","20.8998","0.0006","72.368","0.002","77.656","0.002","74.812","0.002","3976.9","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 F24 N16 P4 Ru3 -","- C72 H54 F24 N16 P4 Ru3 -","- C144 H108 F48 N32 P8 Ru6 -","2","1","","Chia-Nung Tsai; Marco M. Allard; Richard L. Lord; Dao-Wen Luo; Yuan-Jang Chen; H. Bernhard Schlegel; John F. Endicott","Characterization of Low Energy Charge Transfer Transitions in (terpyridine)(bipyridine)Ruthenium(II) Complexes and their Cyanide-Bridged Bi- and Tri-Metallic Analogues","Inorganic Chemistry","2011","50","","11965","11977","10.1021/ic2010387","","x-ray","0.71073","MoKα","","0.12","0.0692","","","0.1813","0.2004","","","","","","0.944","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326975","14.1669","0.0003","28.2732","0.0007","14.3861","0.0003","90","","97.067","0.002","90","","5718.5","0.2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Br2 F12 N10 O P2 Ru2 -","- C54 H38 Br2 F12 N10 O P2 Ru2 -","- C216 H152 Br8 F48 N40 O4 P8 Ru8 -","4","1","","Chia-Nung Tsai; Marco M. Allard; Richard L. Lord; Dao-Wen Luo; Yuan-Jang Chen; H. Bernhard Schlegel; John F. Endicott","Characterization of Low Energy Charge Transfer Transitions in (terpyridine)(bipyridine)Ruthenium(II) Complexes and their Cyanide-Bridged Bi- and Tri-Metallic Analogues","Inorganic Chemistry","2011","50","","11965","11977","10.1021/ic2010387","","x-ray","0.71073","MoKα","","0.1359","0.0795","","","0.1443","0.1578","","","","","","1.032","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326976","12.7736","0.0004","12.3453","0.0003","34.3437","0.0012","90","","90.102","0.003","90","","5415.8","0.3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H43 F12 N13 O P2 Ru2 -","- C54 H43 F12 N13 O P2 Ru2 -","- C216 H172 F48 N52 O4 P8 Ru8 -","4","0.5","","Chia-Nung Tsai; Marco M. Allard; Richard L. Lord; Dao-Wen Luo; Yuan-Jang Chen; H. Bernhard Schlegel; John F. Endicott","Characterization of Low Energy Charge Transfer Transitions in (terpyridine)(bipyridine)Ruthenium(II) Complexes and their Cyanide-Bridged Bi- and Tri-Metallic Analogues","Inorganic Chemistry","2011","50","","11965","11977","10.1021/ic2010387","","x-ray","0.71073","MoKα","","0.0747","0.0531","","","0.0991","0.1031","","","","","","1.196","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326977","12.7441","0.0003","13.8426","0.0002","15.5076","0.0003","90","","110.069","0.002","90","","2569.61","0.09","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F6 I N5 P Ru -","- C25 H19 F6 I N5 P Ru -","- C100 H76 F24 I4 N20 P4 Ru4 -","4","1","","Chia-Nung Tsai; Marco M. Allard; Richard L. Lord; Dao-Wen Luo; Yuan-Jang Chen; H. Bernhard Schlegel; John F. Endicott","Characterization of Low Energy Charge Transfer Transitions in (terpyridine)(bipyridine)Ruthenium(II) Complexes and their Cyanide-Bridged Bi- and Tri-Metallic Analogues","Inorganic Chemistry","2011","50","","11965","11977","10.1021/ic2010387","","x-ray","0.71073","MoKα","","0.0367","0.027","","","0.0615","0.0633","","","","","","0.983","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326978","7.8894","0.0002","12.1386","0.0003","16.3511","0.0004","91.901","0.002","98.88","0.002","97.026","0.002","1533.33","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 B Fe N9 O2 -","- C26 H38 B Fe N9 O2 -","- C52 H76 B2 Fe2 N18 O4 -","2","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","0.7107","MoKα","","0.0474","0.0344","","","0.0878","0.0914","","","","","","1.01","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326979","11.32026","0.00009","19.30082","0.00013","13.78973","0.00011","90","","106.106","0.0008","90","","2894.66","0.04","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 B F3 Fe N8 O2 -","- C24 H32 B F3 Fe N8 O2 -","- C96 H128 B4 F12 Fe4 N32 O8 -","4","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","1.5418","CuKα","","0.0327","0.0288","","","0.071","0.0728","","","","","","1.01","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326980","16.3762","0.0007","12.3527","0.0009","16.0614","0.0006","90","","102.273","0.005","90","","3174.8","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 B F3 Fe N8 O2 -","- C29 H34 B F3 Fe N8 O2 -","- C116 H136 B4 F12 Fe4 N32 O8 -","4","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","1.5418","CuKα","","0.0372","0.0331","","","0.0818","0.0853","","","","","","1.034","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326981","11.72084","0.0001","19.56928","0.00016","11.95953","0.00009","90","","99.6456","0.0008","90","","2704.36","0.04","100.15","","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 B F6 Fe N7 O2 -","- C22 H26 B F6 Fe N7 O2 -","- C88 H104 B4 F24 Fe4 N28 O8 -","4","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","0.7107","MoKα","","0.0406","0.0309","","","0.0914","0.0934","","","","","","1.107","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326982","13.8832","0.00012","18.87572","0.00015","16.93576","0.00018","90","","112.137","0.0011","90","","4110.95","0.07","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 B Fe N6 O2 -","- C50 H41 B Fe N6 O2 -","- C200 H164 B4 Fe4 N24 O8 -","4","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","0.7107","MoKα","","0.0502","0.0352","","","0.1023","0.1054","","","","","","1.085","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326983","9.75151","0.00012","35.2674","0.0004","13.67554","0.00017","90","","94.0112","0.0011","90","","4691.64","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H52.5 B Fe N6.5 O2.5 -","- C56 H52.5 B Fe N6.5 O2.5 -","- C224 H210 B4 Fe4 N26 O10 -","4","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","1.5418","CuKα","","0.0547","0.0335","","","0.0673","0.071","","","","","","0.837","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326984","9.962","0.0003","33.2844","0.001","13.5814","0.0004","90","","94.637","0.003","90","","4488.6","0.2","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50.87 H39.73 B Cl1.73 F3 Fe N6 O2 -","- C50.867 H39.734 B Cl1.734 F3 Fe N6 O2 -","- C203.468 H158.936 B4 Cl6.936 F12 Fe4 N24 O8 -","4","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","1.5418","CuKα","","0.1107","0.0804","","","0.1983","0.2217","","","","","","1.063","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326985","9.9045","0.0007","35.733","0.002","13.4769","0.0009","90","","92.429","0.007","90","","4765.4","0.5","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 B Cl2 F3 Fe N6 O2 -","- C56 H42 B Cl2 F3 Fe N6 O2 -","- C224 H168 B4 Cl8 F12 Fe4 N24 O8 -","4","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","1.5418","CuKα","","0.0895","0.0661","","","0.1452","0.1553","","","","","","1.058","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326986","10.8489","0.0003","12.6264","0.0003","14.429","0.0004","87.443","0.002","71.223","0.002","89.004","0.002","1869.46","0.09","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H31 F3 Fe N7 O5 P S -","- C35 H31 F3 Fe N7 O5 P S -","- C70 H62 F6 Fe2 N14 O10 P2 S2 -","2","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","0.7107","MoKα","","0.0486","0.0356","","","0.0797","0.0868","","","","","","1.041","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326987","10.9737","0.0003","12.6383","0.0003","14.6113","0.0003","85.8018","0.0019","71.277","0.002","87.183","0.002","1913.33","0.08","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H27 Cl2 F6 Fe N6 O5 P S -","- C34 H27 Cl2 F6 Fe N6 O5 P S -","- C68 H54 Cl4 F12 Fe2 N12 O10 P2 S2 -","2","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","0.7107","MoKα","","0.0477","0.0361","","","0.0998","0.1036","","","","","","1.081","","","","has coordinates,has disorder","179372","2020-10-21","18:00:00",""
"4326988","11.4327","0.0003","12.833","0.0002","17.9561","0.0003","85.0393","0.0015","78.0672","0.0017","83.3042","0.0017","2554.66","0.09","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C42 H35 Cl8 F6 Fe N6 O5 P S -","- C42 H35 Cl8 F6 Fe N6 O5 P S -","- C84 H70 Cl16 F12 Fe2 N12 O10 P2 S2 -","2","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","1.5418","CuKα","","0.0671","0.063","","","0.1744","0.181","","","","","","1.033","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326989","20.3397","0.0003","11.83101","0.00016","17.816","0.0002","90","","90","","90","","4287.23","0.1","100.15","","100.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C39 H31 F9 Fe N9 O5 P S -","- C39 H31 F9 Fe N9 O5 P S -","- C156 H124 F36 Fe4 N36 O20 P4 S4 -","4","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","0.7107","MoKα","","0.0292","0.0247","","","0.0581","0.0589","","","","","","1.057","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326990","30.013","0.006","7.926","0.0016","26.201","0.005","90","","114.24","0.03","90","","5683","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Cs N2 O10 Pr -","- C66 H58 Cs N2 O10 Pr -","- C264 H232 Cs4 N8 O40 Pr4 -","4","0.5","","Dominique T. Thielemann; Melanie Klinger; Thomas J. A. Wolf; Yanhua Lan; Wolfgang Wernsdorfer; Madleen Busse; Peter W. Roesky; Andreas N. Unterreiner; Annie K. Powell; Peter C. Junk; Glen B. Deacon","Novel Lanthanide-Based Polymeric Chains and Corresponding Ultrafast Dynamics in Solution","Inorganic Chemistry","2011","50","","11990","12000","10.1021/ic201157m","","","0.71073","MoKα","","0.164","0.1153","","","0.2901","0.3242","","","","","","0.999","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326991","30.002","0.007","7.9126","0.0016","26.166","0.009","90","","114.08","0.03","90","","5671","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Cs N2 Nd O10 -","- C66 H58 Cs N2 Nd O10 -","- C264 H232 Cs4 N8 Nd4 O40 -","4","0.5","","Dominique T. Thielemann; Melanie Klinger; Thomas J. A. Wolf; Yanhua Lan; Wolfgang Wernsdorfer; Madleen Busse; Peter W. Roesky; Andreas N. Unterreiner; Annie K. Powell; Peter C. Junk; Glen B. Deacon","Novel Lanthanide-Based Polymeric Chains and Corresponding Ultrafast Dynamics in Solution","Inorganic Chemistry","2011","50","","11990","12000","10.1021/ic201157m","","","0.71073","MoKα","","0.0749","0.0423","","","0.0897","0.0981","","","","","","0.896","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326992","30.22","0.006","8.0017","0.0016","26.115","0.005","90","","114.15","0.03","90","","5762","2","206","2","206","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Cs N2 O10 Sm -","- C66 H58 Cs N2 O10 Sm -","- C264 H232 Cs4 N8 O40 Sm4 -","4","0.5","","Dominique T. Thielemann; Melanie Klinger; Thomas J. A. Wolf; Yanhua Lan; Wolfgang Wernsdorfer; Madleen Busse; Peter W. Roesky; Andreas N. Unterreiner; Annie K. Powell; Peter C. Junk; Glen B. Deacon","Novel Lanthanide-Based Polymeric Chains and Corresponding Ultrafast Dynamics in Solution","Inorganic Chemistry","2011","50","","11990","12000","10.1021/ic201157m","","","0.71073","MoKα","","0.1139","0.1106","","","0.3009","0.3034","","","","","","1.104","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326993","30.068","0.006","7.9123","0.0016","25.811","0.005","90","","113.84","0.03","90","","5617","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Cs Dy N2 O10 -","- C66 H58 Cs Dy N2 O10 -","- C264 H232 Cs4 Dy4 N8 O40 -","4","0.5","","Dominique T. Thielemann; Melanie Klinger; Thomas J. A. Wolf; Yanhua Lan; Wolfgang Wernsdorfer; Madleen Busse; Peter W. Roesky; Andreas N. Unterreiner; Annie K. Powell; Peter C. Junk; Glen B. Deacon","Novel Lanthanide-Based Polymeric Chains and Corresponding Ultrafast Dynamics in Solution","Inorganic Chemistry","2011","50","","11990","12000","10.1021/ic201157m","","","0.71073","MoKα","","0.1151","0.1064","","","0.2819","0.288","","","","","","1.097","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326994","27.736","0.006","7.9106","0.0016","26.035","0.005","90","","108.93","0.03","90","","5403","2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 Cl4 K Nd O8 -","- C62 H48 Cl4 K Nd O8 -","- C248 H192 Cl16 K4 Nd4 O32 -","4","0.5","","Dominique T. Thielemann; Melanie Klinger; Thomas J. A. Wolf; Yanhua Lan; Wolfgang Wernsdorfer; Madleen Busse; Peter W. Roesky; Andreas N. Unterreiner; Annie K. Powell; Peter C. Junk; Glen B. Deacon","Novel Lanthanide-Based Polymeric Chains and Corresponding Ultrafast Dynamics in Solution","Inorganic Chemistry","2011","50","","11990","12000","10.1021/ic201157m","","","0.71073","MoKα","","0.1163","0.0834","","","0.1921","0.22","","","","","","1.14","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326995","8.111","0.003","10.413","0.004","16.871","0.003","90.496","0.003","91.829","0.004","106.319","0.003","1366.6","0.8","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl2 N7 O4 Pt -","- C20 H21 Cl2 N7 O4 Pt -","- C40 H42 Cl4 N14 O8 Pt2 -","2","1","","Shengde Wu; Chengcheng Zhu; Changli Zhang; Zhen Yu; Weijiang He; Yafeng He; Yizhi Li; Jing Wang; Zijian Guo","In Vitro and in Vivo Fluorescent Imaging of a Monofunctional Chelated Platinum Complex Excitable Using Visible Light","Inorganic Chemistry","2011","50","","11847","11849","10.1021/ic201506y","","","0.71073","MoKα","","0.0628","0.0466","","","0.1256","0.1355","","","","","","1.087","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326996","8.0749","0.0005","14.2955","0.0008","22.8291","0.0014","90","","99.069","0.002","90","","2602.3","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Co I2 N5 O4 -","- C23 H25 Co I2 N5 O4 -","- C92 H100 Co4 I8 N20 O16 -","4","1","","Luke J. Batchelor; Marco Sangalli; Régis Guillot; Nathalie Guihéry; Remi Maurice; Floriana Tuna; Talal Mallah","Pentanuclear Cyanide-Bridged Complexes Based on Highly Anisotropic CoII Seven-Coordinate Building Blocks: Synthesis, Structure, and Magnetic Behavior","Inorganic Chemistry","2011","50","","12045","12052","10.1021/ic201534e","","x-ray","0.71073","MoKα","","0.0547","0.0318","","","0.0622","0.0668","","","","","","1.02","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326997","36.133","0.005","32.248","0.005","10.7698","0.0012","90","","101.268","0.003","90","","12307","3","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89 H57 Co3 Cr2 N27 O36 -","- C89 H57 Co3 Cr2 N27 O36 -","- C356 H228 Co12 Cr8 N108 O144 -","4","0.5","","Luke J. Batchelor; Marco Sangalli; Régis Guillot; Nathalie Guihéry; Remi Maurice; Floriana Tuna; Talal Mallah","Pentanuclear Cyanide-Bridged Complexes Based on Highly Anisotropic CoII Seven-Coordinate Building Blocks: Synthesis, Structure, and Magnetic Behavior","Inorganic Chemistry","2011","50","","12045","12052","10.1021/ic201534e","","x-ray","0.71073","MoKα","","0.1921","0.0893","","","0.2378","0.3088","","","","","","1.218","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326998","33.312","0.002","16.7668","0.0009","17.1653","0.001","90","","95.861","0.002","90","","9537.3","0.9","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H103 Co3 Fe2 N27 O26 -","- C81 H103 Co3 Fe2 N27 O26 -","- C324 H412 Co12 Fe8 N108 O104 -","4","0.5","","Luke J. Batchelor; Marco Sangalli; Régis Guillot; Nathalie Guihéry; Remi Maurice; Floriana Tuna; Talal Mallah","Pentanuclear Cyanide-Bridged Complexes Based on Highly Anisotropic CoII Seven-Coordinate Building Blocks: Synthesis, Structure, and Magnetic Behavior","Inorganic Chemistry","2011","50","","12045","12052","10.1021/ic201534e","","x-ray","0.71073","MoKα","","0.0805","0.047","","","0.1167","0.1321","","","","","","1.026","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326999","13.063","0.0002","12.816","0.0002","18.0421","0.0003","90","","133.606","0.001","90","","2187.16","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 N6 Si2 Ti2 -","- C44 H54 N6 Si2 Ti2 -","- C88 H108 N12 Si4 Ti4 -","2","0.5","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.1244","0.0527","","","0.1147","0.1391","","","","","","1.038","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4327000","9.57","0.0001","11.454","0.0001","20.205","0.0002","90","","98.163","0.001","90","","2192.33","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 N6 Si2 Zr2 -","- C44 H54 N6 Si2 Zr2 -","- C88 H108 N12 Si4 Zr4 -","2","0.5","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.0339","0.0273","","","0.0694","0.0734","","","","","","1.014","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327001","11.493","0.0002","14.383","0.0002","18.435","0.0004","85.947","0.001","80.433","0.001","82.27","0.001","2974.04","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H77 Hf2 N7 Si2 -","- C60 H77 Hf2 N7 Si2 -","- C120 H154 Hf4 N14 Si4 -","2","1","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.0776","0.0387","","","0.0833","0.0956","","","","","","1.007","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327002","10.666","0.0003","12.78","0.0003","11.556","0.0003","90","","97.463","0.001","90","","1561.87","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H54 N6 Si2 Ti2 -","- C20 H54 N6 Si2 Ti2 -","- C40 H108 N12 Si4 Ti4 -","2","0.5","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.0635","0.0468","","","0.1164","0.1266","","","","","","1.154","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327003","9.927","0.0002","13.332","0.0003","11.603","0.0003","90","","91.029","0.001","90","","1535.37","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H54 N6 Si2 Ti2 -","- C20 H54 N6 Si2 Ti2 -","- C40 H108 N12 Si4 Ti4 -","2","0.5","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.0823","0.0392","","","0.0796","0.0872","","","","","","1.023","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327004","9.99","0.0002","13.603","0.0002","11.661","0.0002","90","","90.837","0.001","90","","1584.49","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H54 N6 Si2 Zr2 -","- C20 H54 N6 Si2 Zr2 -","- C40 H108 N12 Si4 Zr4 -","2","0.5","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.0214","0.0188","","","0.0494","0.0512","","","","","","1.077","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327005","9.983","0.0002","13.551","0.0002","11.686","0.0002","90","","90.899","0.001","90","","1580.68","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H54 Hf2 N6 Si2 -","- C20 H54 Hf2 N6 Si2 -","- C40 H108 Hf4 N12 Si4 -","2","0.5","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.0208","0.0181","","","0.0444","0.0457","","","","","","1.133","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327006","8.363","0.0002","10.594","0.0002","10.74","0.0002","68.206","0.001","72.139","0.001","78.303","0.001","836.68","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H60 N12 Si2 Ti2 -","- C20 H60 N12 Si2 Ti2 -","- C20 H60 N12 Si2 Ti2 -","1","0.5","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.0607","0.0374","","","0.089","0.099","","","","","","1.032","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327007","17.191","0.0002","12.747","0.0002","15.761","0.0002","90","","90.141","0.001","90","","3453.76","0.08","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H60 N12 Si2 Zr2 -","- C20 H60 N12 Si2 Zr2 -","- C80 H240 N48 Si8 Zr8 -","4","0.5","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.0328","0.0242","","","0.0581","0.0616","","","","","","1.064","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327008","8.993","0.0002","13.928","0.0003","13.729","0.0003","90","","101.626","0.001","90","","1684.34","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H60 Hf2 N12 Si2 -","- C20 H60 Hf2 N12 Si2 -","- C40 H120 Hf4 N24 Si4 -","2","0.5","","Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley","Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides","Inorganic Chemistry","2011","50","","12053","12063","10.1021/ic2015644","","","0.71073","MoKα","","0.0508","0.0277","","","0.0481","0.0527","","","","","","0.998","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327009","8.4581","0.0004","9.1705","0.0004","15.5388","0.0007","90","","98.063","0.002","90","","1193.35","0.09","296","2","296","2","","","","","","","Synthesised","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl2 Cu N4 O8 -","- C16 H36 Cl2 Cu N4 O8 -","- C32 H72 Cl4 Cu2 N8 O16 -","2","0.5","","Apurba Kalita; Pankaj Kumar; Ramesh C. Deka; Biplab Mondal","Role of Ligand to Control the Mechanism of Nitric Oxide Reduction of Copper(II) Complexes and Ligand Nitrosation","Inorganic Chemistry","2011","50","","11868","11876","10.1021/ic201582w","","x-ray","0.71073","MoKα","","0.043","0.0366","","","0.109","0.1137","","","","","","1.064","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327010","5.9207","0.0007","15.3528","0.0017","12.8203","0.0015","90","","114.452","0.008","90","","1060.8","0.2","296","2","296","2","","","","","","","Synthesised","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N4 O2 -","- C8 H16 N4 O2 -","- C32 H64 N16 O8 -","4","1","","Apurba Kalita; Pankaj Kumar; Ramesh C. Deka; Biplab Mondal","Role of Ligand to Control the Mechanism of Nitric Oxide Reduction of Copper(II) Complexes and Ligand Nitrosation","Inorganic Chemistry","2011","50","","11868","11876","10.1021/ic201582w","","x-ray","0.71073","MoKα","","0.2077","0.0969","","","0.1917","0.2008","","","","","","1.626","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327011","9.9191","0.0004","10.4189","0.0004","11.9274","0.0004","90","","97.283","0.002","90","","1222.71","0.08","296","2","296","2","","","","","","","Synthesised","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cl2 Cu N4 O8 -","- C16 H32 Cl2 Cu N4 O8 -","- C32 H64 Cl4 Cu2 N8 O16 -","2","0.5","","Apurba Kalita; Pankaj Kumar; Ramesh C. Deka; Biplab Mondal","Role of Ligand to Control the Mechanism of Nitric Oxide Reduction of Copper(II) Complexes and Ligand Nitrosation","Inorganic Chemistry","2011","50","","11868","11876","10.1021/ic201582w","","x-ray","0.71073","MoKα","","0.0639","0.0457","","","0.1434","0.1503","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327012","34.988","0.003","34.908","0.003","7.7912","0.0001","90","","90","","90","","9515.9","1.2","100","","100","","","","","","","","","4","I m 2 a","I -2a -2a","46","Sr2NaNb5O15","Sr2NaNb5O15","","- Na30.72 Nb160 O480 Sr65.15 -","- Na30.7015 Nb160 O480 Sr65.1625 -","- Na30.7015 Nb160 O480 Sr65.1625 -","1","0.125","","Almudena Torres-Pardo; Ricardo Jiménez; José M. González-Calbet; Ester García-González","Structural Effects Behind the Low Temperature Nonconventional Relaxor Behavior of the Sr2NaNb5O15 Bronze","Inorganic Chemistry","2011","50","","12091","12098","10.1021/ic2016098","powder diffraction","neutron","1.5405","neutron","","","","","","","","","5.1798","11.6464","","","","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327013","34.996","0.003","34.934","0.003","7.7891","0.0005","90","","90","","90","","9522.6","1.3","300","","300","","","","","","","","","4","I m 2 a","I -2a -2a","46","Sr2NaNb5O15","Sr2NaNb5O15","","- Na3.8 Nb20 O60 Sr8.19 -","- Na3.795 Nb20 O60 Sr8.185 -","- Na30.36 Nb160 O480 Sr65.48 -","8","1","","Almudena Torres-Pardo; Ricardo Jiménez; José M. González-Calbet; Ester García-González","Structural Effects Behind the Low Temperature Nonconventional Relaxor Behavior of the Sr2NaNb5O15 Bronze","Inorganic Chemistry","2011","50","","12091","12098","10.1021/ic2016098","powder diffraction","","1.54175","CuKα","","","","","","","","","5.0677","4.033","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327014","9.2997","0.0002","14.4254","0.0004","18.5866","0.0005","90","","90","","90","","2493.43","0.11","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Cl4 N2 P2 U -","- C18 H28 Cl4 N2 P2 U -","- C72 H112 Cl16 N8 P8 U4 -","4","1","","Brian S. Newell; Trevor C. Schwaab; Matthew P. Shores","Synthesis and Characterization of a Novel Tetranuclear 5f Compound: A New Synthon for Exploring U(IV) Chemistry","Inorganic Chemistry","2011","50","","12108","12115","10.1021/ic201670z","","","0.71073","MoKα","","0.0323","0.0243","","","0.0426","0.0447","","","","","","1.033","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327015","12.6594","0.0005","14.0045","0.0006","41.7425","0.0019","90","","90","","90","","7400.5","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Cl4 P4 U -","- C12 H32 Cl4 P4 U -","- C144 H384 Cl48 P48 U12 -","12","3","","Brian S. Newell; Trevor C. Schwaab; Matthew P. Shores","Synthesis and Characterization of a Novel Tetranuclear 5f Compound: A New Synthon for Exploring U(IV) Chemistry","Inorganic Chemistry","2011","50","","12108","12115","10.1021/ic201670z","","","0.71073","MoKα","","0.0429","0.0309","","","0.0517","0.0551","","","","","","1.02","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327016","12.2692","0.0009","12.2692","0.0009","17.0398","0.0014","90","","90","","90","","2565.1","0.3","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C16 H44 P4 U -","- C16 H44 P4 U -","- C64 H176 P16 U4 -","4","0.5","","Brian S. Newell; Trevor C. Schwaab; Matthew P. Shores","Synthesis and Characterization of a Novel Tetranuclear 5f Compound: A New Synthon for Exploring U(IV) Chemistry","Inorganic Chemistry","2011","50","","12108","12115","10.1021/ic201670z","","","0.71073","MoKα","","0.037","0.0318","","","0.0815","0.0841","","","","","","1.298","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327017","37.3334","0.0007","37.3334","0.0007","12.9469","0.0003","90","","90","","90","","18045.2","0.6","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H68 Cl20 P8 U4 -","- C26 H68 Cl20 P8 U4 -","- C208 H544 Cl160 P64 U32 -","8","0.5","","Brian S. Newell; Trevor C. Schwaab; Matthew P. Shores","Synthesis and Characterization of a Novel Tetranuclear 5f Compound: A New Synthon for Exploring U(IV) Chemistry","Inorganic Chemistry","2011","50","","12108","12115","10.1021/ic201670z","","","0.71073","MoKα","","0.0724","0.0592","","","0.1808","0.1906","","","","","","1.093","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327018","7.3162","0.0011","19.404","0.003","26.155","0.004","90","","90","","90","","3713.1","1","213","2","213","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C27 H16 Ba O7 -","- C27 H16 Ba O7 -","- C108 H64 Ba4 O28 -","4","1","","Maw Lin Foo; Satoshi Horike; Susumu Kitagawa","Synthesis and Characterization of a 1-D Porous Barium Carboxylate Coordination Polymer, [Ba(HBTB)] (H3BTB = Benzene-1,3,5-trisbenzoic Acid)","Inorganic Chemistry","2011","50","","11853","11855","10.1021/ic201814g","","x-ray","0.71075","MoKα","","0.0512","0.0469","","","0.1536","0.1565","","","","","","1.119","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327019","11.6864","0.001","13.2034","0.0016","17.5295","0.0016","91.553","0.007","103.086","0.008","97.723","0.011","2606","0.5","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C53 H80 Al Li O4 Ti3 -","- C53 H80 Al Li O4 Ti3 -","- C106 H160 Al2 Li2 O8 Ti6 -","2","1","","Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría","Lithium Aluminates on a Molecular Titanium Oxide","Inorganic Chemistry","2011","50","","11856","11858","10.1021/ic201838z","","x-ray","0.71073","MoKα","","0.1193","0.0524","","","0.1152","0.1445","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327020","12.069","0.006","17.261","0.006","27.661","0.009","81.88","0.05","89.92","0.04","80.81","0.04","5630","4","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C121 H148 Al2 Li2 O8 Ti6 -","- C121 H148 Al2 Li2 O8 Ti6 -","- C242 H296 Al4 Li4 O16 Ti12 -","2","1","","Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría","Lithium Aluminates on a Molecular Titanium Oxide","Inorganic Chemistry","2011","50","","11856","11858","10.1021/ic201838z","","x-ray","0.71073","MoKα","","0.2288","0.0816","","","0.1898","0.2316","","","","","","0.845","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327021","20.792","0.004","20.792","0.004","13.814","0.003","90","","90","","120","","5171.8","1.8","143","2","143","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C45 H41 Mn3 N27 O4 -","- C45 H21 Mn3 N27 O4 -","- C90 H42 Mn6 N54 O8 -","2","0.166667","","Seok Jeong; Xiaokai Song; Sehyun Jeong; Minhak Oh; Xinfang Liu; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Metal-Organic Frameworks Based on Unprecedented Trinuclear and Pentanuclear Metal-Tetrazole Clusters as Secondary Building Units","Inorganic Chemistry","2011","50","","12133","12140","10.1021/ic201883f","","","0.71073","MoKα","","0.0943","0.0629","","","0.1368","0.1488","","","","","","1.029","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327022","36.795","0.007","15.904","0.003","26.761","0.005","90","","131.73","0.03","90","","11687","7","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H82 Mn5 N40 O10 -","- C72 H80 Mn5 N40 O10 -","- C288 H320 Mn20 N160 O40 -","4","0.5","","Seok Jeong; Xiaokai Song; Sehyun Jeong; Minhak Oh; Xinfang Liu; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Metal-Organic Frameworks Based on Unprecedented Trinuclear and Pentanuclear Metal-Tetrazole Clusters as Secondary Building Units","Inorganic Chemistry","2011","50","","12133","12140","10.1021/ic201883f","","","0.75","synchrotron","","0.0932","0.0816","","","0.2472","0.2598","","","","","","1.097","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327023","15.692","0.005","29.941","0.008","21.67","0.007","90","","130.817","0.004","90","","7705","4","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H84 Cl6 Fe4 N20 O15 -","- C48 H40 Cl6 Fe4 N20 O4 -","- C192 H160 Cl24 Fe16 N80 O16 -","4","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71075","MoKα","","0.0978","0.0895","","","0.2632","0.2818","","","","","","1.113","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327024","14.235","0.005","14.512","0.006","26.039","0.01","99.829","0.007","93.742","0.007","99.903","0.007","5196","3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 F12 Fe5 N36 O25 S4 -","- C72 H60 F12 Fe5 N36 O25 S4 -","- C144 H120 F24 Fe10 N72 O50 S8 -","2","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71075","MoKα","","0.1773","0.1659","","","0.4369","0.4705","","","","","","2.046","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327025","12.7241","0.0012","14.1843","0.0012","20.88","0.002","74.137","0.005","80.594","0.006","70.854","0.005","3413.1","0.6","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H66 Cl6 Fe4 N20 O15 -","- C42 H58 Cl6 Fe4 N20 O15 -","- C84 H116 Cl12 Fe8 N40 O30 -","2","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71075","MoKα","","0.087","0.0791","","","0.2317","0.2417","","","","","","1.088","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327026","14.5433","0.0012","37.143","0.003","15.2818","0.0014","90","","117.171","0.005","90","","7344","1.1","158","2","158","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H56 Cl12 Fe6 N20 O12 -","- C40 H52 Cl12 Fe6 N20 O12 -","- C160 H208 Cl48 Fe24 N80 O48 -","4","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71069","MoKα","","0.123","0.116","","","0.2731","0.2774","","","","","","1.16","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327027","18.5879","0.0018","18.1873","0.0017","24.891","0.002","90","","90","","90","","8414.7","1.3","163","2","163","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H56 Cl6 Fe4 N24 O34 -","- C44 H56 Cl6 Fe4 N24 O34 -","- C176 H224 Cl24 Fe16 N96 O136 -","4","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71075","MoKα","","0.0649","0.0641","","","0.1836","0.1849","","","","","","1.057","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327028","18.705","0.004","10.8869","0.0017","13.453","0.003","90","","113.481","0.011","90","","2512.7","0.9","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl4 Fe2 N8 O4 -","- C18 H20 Cl4 Fe2 N8 O4 -","- C72 H80 Cl16 Fe8 N32 O16 -","4","0.5","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71069","MoKα","","0.0913","0.0782","","","0.2052","0.2094","","","","","","1.192","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327029","10.936","0.005","12.166","0.005","13.613","0.006","98.001","0.004","109.712","0.005","96.538","0.004","1663.1","1.3","163","2","163","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H32 F3 Fe N6 O13 S -","- C25 H32 F3 Fe N6 O13 S -","- C50 H64 F6 Fe2 N12 O26 S2 -","2","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71075","MoKα","","0.0528","0.0441","","","0.1273","0.1564","","","","","","1.072","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327030","7.58","0.02","8.79","0.03","11.16","0.04","102.98","0.06","100.03","0.04","92.09","0.07","711","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Cl2 Fe2 N6 O10 -","- C24 H26 Cl2 Fe2 N6 O10 -","- C24 H26 Cl2 Fe2 N6 O10 -","1","0.5","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71075","MoKα","","0.1503","0.1415","","","0.3356","0.3495","","","","","","2.026","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327031","7.644","0.004","13.564","0.008","14.095","0.008","102.025","0.004","99.522","0.007","100.715","0.007","1372.4","1.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N12 O14 -","- C19 H23 Fe N12 O14 -","- C38 H46 Fe2 N24 O28 -","2","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71075","MoKα","","0.0586","0.0505","","","0.1201","0.1291","","","","","","1.056","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327032","15.649","0.003","12.014","0.002","13.89","0.003","90","","89.96","0.003","90","","2611.4","0.9","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Cl3 Fe2 N9 O7 -","- C16 H27 Cl3 Fe2 N9 O7 -","- C64 H108 Cl12 Fe8 N36 O28 -","4","1","","Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson","Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations","Inorganic Chemistry","2011","50","","12141","12154","10.1021/ic201891h","","","0.71075","MoKα","","0.0418","0.0386","","","0.095","0.0984","","","","","","1.037","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327033","11.6599","0.0002","17.2096","0.0003","14.721","0.0002","90","","100.661","0.0007","90","","2902.96","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti((NC4H3CH2)2NMe)(NOtBu)(bipy)","","- C26.2 H32.4 N6 O1.3 Ti -","- C26.2 H32.4 N6 O1.3 Ti -","- C104.8 H129.6 N24 O5.2 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.1236","0.0691","","0.1124","0.0713","0.0713","","","","","","1.0768","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327034","9.6423","0.0001","11.1483","0.0002","16.3073","0.0003","107.031","0.0006","90.9663","0.0007","113.441","0.0007","1519.88","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ti(NOtBu)Cl2(NHMe2)2","","- C8 H23 Cl2 N3 O Ti -","- C8 H23 Cl2 N3 O Ti -","- C32 H92 Cl8 N12 O4 Ti4 -","4","2","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0927","0.0464","","0.1192","0.0446","0.0407","","","","","","1.1278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327035","9.4842","0.0001","14.1967","0.0002","16.5538","0.0002","90","","90","","90","","2228.88","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ti(Me3[9]ane)(NOtBu)Cl2","","- C14 H32 Cl4 N4 O Ti -","- C14 H32 Cl4 N4 O Ti -","- C56 H128 Cl16 N16 O4 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0576","0.04","","0.0621","0.0391","0.0368","","","","","","1.1168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327036","9.184","0.0001","30.8641","0.0005","9.9134","0.0002","90","","115.795","0.0007","90","","2530.01","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ti(NOtBu){HC(Me2pz)3}Cl2","","- C20 H31 Cl2 N7 O Ti -","- C20 H31 Cl2 N7 O Ti -","- C80 H124 Cl8 N28 O4 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.1018","0.048","","0.0754","0.0405","0.0367","","","","","","1.1219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327037","7.0669","0.0002","12.7144","0.0003","18.4571","0.0005","90","","90","","90","","1658.4","0.08","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ti(NOtBu)(Me3[6]aneN3)Cl2","","- C10 H24 Cl2 N4 O Ti -","- C10 H24 Cl2 N4 O Ti -","- C40 H96 Cl8 N16 O4 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0466","0.036","","0.045","0.0388","0.0378","","","","","","1.0571","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327038","8.7962","0.0001","21.8932","0.0003","11.4868","0.0002","90","","97.1358","0.0006","90","","2194.96","0.05","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ti(NOtBu)Cl2(py)3","","- C19 H24 Cl2 N4 O Ti -","- C19 H24 Cl2 N4 O Ti -","- C76 H96 Cl8 N16 O4 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0675","0.0376","","0.0673","0.0335","0.0307","","","","","","1.1111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327039","11.7489","0.0001","13.0941","0.0001","19.9417","0.0002","88.0987","0.0004","83.6658","0.0005","82.3062","0.0004","3021.15","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ti(N2Npy)(NOtBu)(py)","","- C24 H43 N5 O Si2 Ti -","- C24 H43 N5 O Si2 Ti -","- C96 H172 N20 O4 Si8 Ti4 -","4","2","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0901","0.045","","0.094","0.0486","0.0439","","","","","","1.0752","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327040","10.055","0.0002","15.5409","0.0003","17.4207","0.0004","90","","90","","90","","2722.22","0.1","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ti(N2NMe)(NOtBu)(py)","","- C20 H43 N5 O Si2 Ti -","- C20 H43 N5 O Si2 Ti -","- C80 H172 N20 O4 Si8 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0696","0.0457","","0.079","0.0513","0.0457","","","","","","0.9268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327041","11.1591","0.0001","15.5605","0.0002","17.3222","0.0002","90","","90.7653","0.0004","90","","3007.58","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ti(N2NMe)(NOtBu)(Bipy)","","- C25 H46 N6 O Si2 Ti -","- C25 H46 N6 O Si2 Ti -","- C100 H184 N24 O4 Si8 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0868","0.051","","0.0817","0.0508","0.0476","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327042","18.631","0.0003","11.721","0.0002","24.2188","0.0005","90","","101.881","0.0018","90","","5175.45","0.17","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ti(NC4H3CH2NMe2)(NOtBu)Cl(bipy)","","- C24.5 H32 Cl N5 O Ti -","- C24.5 H32 Cl N5 O Ti -","- C196 H256 Cl8 N40 O8 Ti8 -","8","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","1.5418","CuKα","","0.0472","0.042","","0.0369","0.0346","0.0337","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327043","9.8504","0.0014","10.6472","0.0015","16.799","0.002","86.172","0.002","75.258","0.002","81.429","0.002","1684.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 F O17.66 P4 Rb2 U2 -","- C24 H16 F O17.663 P4 Rb2 U2 -","- C48 H32 F2 O35.326 P8 Rb4 U4 -","2","1","","Pius O. Adelani; Thomas E. Albrecht-Schmitt","Metal-Controlled Assembly of Uranyl Diphosphonates toward the Design of Functional Uranyl Nanotubules","Inorganic Chemistry","2011","50","","12184","12191","10.1021/ic201945p","","","0.71073","MoKα","","0.0334","0.0256","","","0.0542","0.0567","","","","","","1.031","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327044","9.9997","0.001","10.6653","0.001","17.1456","0.0016","86.364","0.001","77.716","0.001","81.55","0.001","1766.3","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Cs2 F O18 P4 U2 -","- C24 H16 Cs2 F O17.997 P4 U2 -","- C48 H32 Cs4 F2 O35.994 P8 U4 -","2","1","","Pius O. Adelani; Thomas E. Albrecht-Schmitt","Metal-Controlled Assembly of Uranyl Diphosphonates toward the Design of Functional Uranyl Nanotubules","Inorganic Chemistry","2011","50","","12184","12191","10.1021/ic201945p","","","0.71073","MoKα","","0.0288","0.0222","","","0.0501","0.0528","","","","","","1.025","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327045","9.629","0.003","19.438","0.006","13.13","0.004","90","","111.244","0.004","90","","2290.5","1.2","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 K N8 O4 S2 -","- C24 H12 K N8 O4 S2 -","- C96 H48 K4 N32 O16 S8 -","4","1","","Yoshiaki Shuku; Rie Suizu; Kunio Awaga","Monovalent and Mixed-Valent Potassium Salts of [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide: A Radical Anion for Multidimensional Network Structures","Inorganic Chemistry","2011","50","","11859","11861","10.1021/ic201966t","","","0.7107","MoKα","","","0.0527","","","","0.1538","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327046","5.0557","0.0019","8.965","0.003","12.523","0.005","71.25","0.008","89.037","0.011","89.347","0.011","537.4","0.3","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 N4 O2 S -","- C12 H6 N4 O2 S -","- C24 H12 N8 O4 S2 -","2","1","","Yoshiaki Shuku; Rie Suizu; Kunio Awaga","Monovalent and Mixed-Valent Potassium Salts of [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide: A Radical Anion for Multidimensional Network Structures","Inorganic Chemistry","2011","50","","11859","11861","10.1021/ic201966t","","","0.7107","MoKα","","","0.0413","","","","0.1034","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327047","9.55","0.03","6.606","0.019","9.78","0.03","90","","108.64","0.05","90","","585","3","173.1","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H6 K N4 O2 S -","- C12 H6 K N4 O2 S -","- C24 H12 K2 N8 O4 S2 -","2","0.5","","Yoshiaki Shuku; Rie Suizu; Kunio Awaga","Monovalent and Mixed-Valent Potassium Salts of [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide: A Radical Anion for Multidimensional Network Structures","Inorganic Chemistry","2011","50","","11859","11861","10.1021/ic201966t","","","0.7107","MoKα","","","0.0605","","","","0.1911","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327048","13.865","0.008","19.038","0.008","12.292","0.007","90","","121.69","0.03","90","","2761","3","213","2","213","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C58 H59 F6 O2 P5 Ru -","- C58 H59 F6 O2 P5 Ru -","- C116 H118 F12 O4 P10 Ru2 -","2","0.5","","Ramesh Vadavi; Eamonn D. Conrad; D. Ian Arbuckle; T. Stanley Cameron; Ernest Essoun; Manuel A.S. Aquino","Chiral Induction via the Disassembly of Diruthenium(II,III) Tetraacetate by Chiral Diphosphines","Inorganic Chemistry","2011","50","","11862","11864","10.1021/ic202013m","","","0.7107","MoKα","","0.0943","0.0403","","","0.1059","0.1245","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327049","13.7603","0.0006","18.9087","0.0007","12.2024","0.0006","90","","121.61","0.0017","90","","2703.9","0.2","123.1","","123.1","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C58 H59 F6 O2 P5 Ru -","- C58 H62 F6 O2 P5 Ru -","- C116 H124 F12 O4 P10 Ru2 -","2","0.5","","Ramesh Vadavi; Eamonn D. Conrad; D. Ian Arbuckle; T. Stanley Cameron; Ernest Essoun; Manuel A.S. Aquino","Chiral Induction via the Disassembly of Diruthenium(II,III) Tetraacetate by Chiral Diphosphines","Inorganic Chemistry","2011","50","","11862","11864","10.1021/ic202013m","","","0.7107","MoKα","","","0.0207","","","","0.0237","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327050","8.327","0.0007","8.697","0.0009","19.164","0.002","80.415","0.005","84.057","0.005","86.438","0.006","1359.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H35 B11 N4 O26 -","- C4 H35 B11 N4 O26 -","- C8 H70 B22 N8 O52 -","2","1","","Michael A. Beckett; Peter N. Horton; Simon J. Coles; David W. Martin","Synthesis and Structural Characterization of an Unprecedented Nonmetal Cation Polyborate Salt Containing Two Different ""Isolated"" Polyborate Anions: [H2en]2[B4O5(OH)4][B7O9(OH)5].3H2O (en = H2NCH2CH2NH2)","Inorganic Chemistry","2011","50","","12215","12218","10.1021/ic202144f","","","0.71073","MoKα","","0.1334","0.0896","","","0.1736","0.1976","","","","","","1.135","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327051","18.3539","0.0005","18.3539","0.0005","9.7736","0.0004","90","","90","","120","","2851.29","0.16","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C28.5 H9 N0.75 O22 U3 -","- C28.5 H9 N0.75 O22 U3 -","- C57 H18 N1.5 O44 U6 -","2","0.166667","","Christophe Volkringer; Ionut Mihalcea; Jean-François Vigier; Arnaud Beaurain; Marc Visseaux; Thierry Loiseau","Metal-Organic-Framework-Type 1D-Channel Open Network of a Tetravalent Uranium Trimesate","Inorganic Chemistry","2011","50","","11865","11867","10.1021/ic2021963","","","0.71073","MoKα","","0.0782","0.0505","","","0.1543","0.1832","","","","","","1.25","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327052","8.94","0.006","14.245","0.009","17.526","0.009","94.41","0.05","98.06","0.05","96.16","0.04","2188","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N6 V -","- C24 H20 N6 V -","- C96 H80 N24 V4 -","4","2","","Brenda A. Frazier; Erika R. Bartholomew; Peter T. Wolczanski; Serena DeBeer; Mitkél Santiago-Berrios; Hector D. Abruña; Emil B. Lobkovsky; Suzanne C. Bart; Susanne Mossin; Karsten Meyer; Thomas R. Cundari","Synthesis and Characterization of (smif)2Mn (n= 0, M = V, Cr, Mn, Fe, Co, Ni, Ru; n= +1, M = Cr, Mn, Co, Rh, Ir; smif =1,3-di-(2-pyridyl)-2-azaallyl)","Inorganic Chemistry","2011","50","","12414","12436","10.1021/ic200376f","","","0.9789","","","0.05","0.0482","","","0.1444","0.1469","","","","","","1.071","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327053","8.9763","0.0006","14.4378","0.001","16.9883","0.0011","94.086","0.004","97.642","0.004","97.152","0.004","2156.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 Cr N6 -","- C24 H20 Cr N6 -","- C96 H80 Cr4 N24 -","4","2","","Brenda A. Frazier; Erika R. Bartholomew; Peter T. Wolczanski; Serena DeBeer; Mitkél Santiago-Berrios; Hector D. Abruña; Emil B. Lobkovsky; Suzanne C. Bart; Susanne Mossin; Karsten Meyer; Thomas R. Cundari","Synthesis and Characterization of (smif)2Mn (n= 0, M = V, Cr, Mn, Fe, Co, Ni, Ru; n= +1, M = Cr, Mn, Co, Rh, Ir; smif =1,3-di-(2-pyridyl)-2-azaallyl)","Inorganic Chemistry","2011","50","","12414","12436","10.1021/ic200376f","","","0.71073","MoKα","","0.0816","0.0484","","","0.1008","0.1109","","","","","","1.034","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327054","8.9189","0.0011","14.4448","0.0019","17.849","0.002","94.24","0.006","98.287","0.006","93.988","0.005","2261.8","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 Mn N6 -","- C24 H20 Mn N6 -","- C96 H80 Mn4 N24 -","4","2","","Brenda A. Frazier; Erika R. Bartholomew; Peter T. Wolczanski; Serena DeBeer; Mitkél Santiago-Berrios; Hector D. Abruña; Emil B. Lobkovsky; Suzanne C. Bart; Susanne Mossin; Karsten Meyer; Thomas R. Cundari","Synthesis and Characterization of (smif)2Mn (n= 0, M = V, Cr, Mn, Fe, Co, Ni, Ru; n= +1, M = Cr, Mn, Co, Rh, Ir; smif =1,3-di-(2-pyridyl)-2-azaallyl)","Inorganic Chemistry","2011","50","","12414","12436","10.1021/ic200376f","","","0.71073","MoKα","","0.0754","0.0433","","","0.091","0.0997","","","","","","1.024","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327055","8.7769","0.0004","12.5575","0.0006","15.6932","0.0007","86.978","0.003","76.027","0.003","80.361","0.003","1654.63","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Cr F3 N6 O4 S -","- C29 H28 Cr F3 N6 O4 S -","- C58 H56 Cr2 F6 N12 O8 S2 -","2","1","","Brenda A. Frazier; Erika R. Bartholomew; Peter T. Wolczanski; Serena DeBeer; Mitkél Santiago-Berrios; Hector D. Abruña; Emil B. Lobkovsky; Suzanne C. Bart; Susanne Mossin; Karsten Meyer; Thomas R. Cundari","Synthesis and Characterization of (smif)2Mn (n= 0, M = V, Cr, Mn, Fe, Co, Ni, Ru; n= +1, M = Cr, Mn, Co, Rh, Ir; smif =1,3-di-(2-pyridyl)-2-azaallyl)","Inorganic Chemistry","2011","50","","12414","12436","10.1021/ic200376f","","","0.71073","MoKα","","0.0677","0.0482","","","0.1135","0.1208","","","","","","1.075","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327056","11.6847","0.0005","19.6467","0.0009","12.9662","0.0006","90","","101.987","0.004","90","","2911.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Al Li N O2 -","- C28 H51 Al Li N O2 -","- C112 H204 Al4 Li4 N4 O8 -","4","1","","Robert E. Mulvey; David R. Armstrong; Ben Conway; Elaine Crosbie; Alan R. Kennedy; Stuart D. Robertson","Structurally Powered Synergic 2,2,6,6-Tetramethylpiperidine Bimetallics: New Reflections through Lithium-Mediated Ortho Aluminations","Inorganic Chemistry","2011","50","","12241","12251","10.1021/ic200562h","","","0.71073","MoKα","","0.0686","0.0499","","","0.1365","0.1438","","","","","","1.098","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327057","11.3436","0.0002","23.3577","0.0005","11.685","0.0003","90","","104.261","0.002","90","","3000.65","0.12","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 Al Li N O3 -","- C29 H53 Al Li N O3 -","- C116 H212 Al4 Li4 N4 O12 -","4","1","","Robert E. Mulvey; David R. Armstrong; Ben Conway; Elaine Crosbie; Alan R. Kennedy; Stuart D. Robertson","Structurally Powered Synergic 2,2,6,6-Tetramethylpiperidine Bimetallics: New Reflections through Lithium-Mediated Ortho Aluminations","Inorganic Chemistry","2011","50","","12241","12251","10.1021/ic200562h","","","0.71073","MoKα","","0.0723","0.0461","","","0.1193","0.1255","","","","","","1.067","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327058","9.9464","0.0003","15.917","0.0004","19.796","0.0006","90","","93.414","0.003","90","","3128.48","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 Al Li N O2 -","- C32 H53 Al Li N O2 -","- C128 H212 Al4 Li4 N4 O8 -","4","1","","Robert E. Mulvey; David R. Armstrong; Ben Conway; Elaine Crosbie; Alan R. Kennedy; Stuart D. Robertson","Structurally Powered Synergic 2,2,6,6-Tetramethylpiperidine Bimetallics: New Reflections through Lithium-Mediated Ortho Aluminations","Inorganic Chemistry","2011","50","","12241","12251","10.1021/ic200562h","","","0.71073","MoKα","","0.0772","0.0414","","","0.0891","0.0956","","","","","","0.907","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327059","11.4941","0.0002","19.1867","0.0003","17.9794","0.0004","90","","106.101","0.002","90","","3809.53","0.13","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H69 Al Li N2 O2 -","- C37 H69 Al Li N2 O2 -","- C148 H276 Al4 Li4 N8 O8 -","4","1","","Robert E. Mulvey; David R. Armstrong; Ben Conway; Elaine Crosbie; Alan R. Kennedy; Stuart D. Robertson","Structurally Powered Synergic 2,2,6,6-Tetramethylpiperidine Bimetallics: New Reflections through Lithium-Mediated Ortho Aluminations","Inorganic Chemistry","2011","50","","12241","12251","10.1021/ic200562h","","","0.71073","MoKα","","0.0628","0.0409","","","0.1027","0.1075","","","","","","1.059","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327060","11.1865","0.0005","14.3886","0.0008","19.3615","0.0008","90","","103.485","0.004","90","","3030.5","0.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Al I Li N O2 -","- C28 H50 Al I Li N O2 -","- C112 H200 Al4 I4 Li4 N4 O8 -","4","1","","Robert E. Mulvey; David R. Armstrong; Ben Conway; Elaine Crosbie; Alan R. Kennedy; Stuart D. Robertson","Structurally Powered Synergic 2,2,6,6-Tetramethylpiperidine Bimetallics: New Reflections through Lithium-Mediated Ortho Aluminations","Inorganic Chemistry","2011","50","","12241","12251","10.1021/ic200562h","","","0.71073","MoKα","","0.0745","0.0441","","","0.1161","0.1232","","","","","","0.944","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327061","11.3522","0.0002","17.008","0.0004","14.0982","0.0004","90","","90.351","0.003","90","","2722","0.11","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Al Li N2 O -","- C24 H54 Al Li N2 O -","- C96 H216 Al4 Li4 N8 O4 -","4","1","","Robert E. Mulvey; David R. Armstrong; Ben Conway; Elaine Crosbie; Alan R. Kennedy; Stuart D. Robertson","Structurally Powered Synergic 2,2,6,6-Tetramethylpiperidine Bimetallics: New Reflections through Lithium-Mediated Ortho Aluminations","Inorganic Chemistry","2011","50","","12241","12251","10.1021/ic200562h","","","0.71073","MoKα","","0.0656","0.04","","","0.0955","0.1003","","","","","","0.939","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327062","10.2455","0.0005","10.6589","0.0005","16.0232","0.001","101.147","0.004","96.316","0.005","109.34","0.004","1591.05","0.16","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H64 Al2 N2 -","- C30 H64 Al2 N2 -","- C60 H128 Al4 N4 -","2","1","","Robert E. Mulvey; David R. Armstrong; Ben Conway; Elaine Crosbie; Alan R. Kennedy; Stuart D. Robertson","Structurally Powered Synergic 2,2,6,6-Tetramethylpiperidine Bimetallics: New Reflections through Lithium-Mediated Ortho Aluminations","Inorganic Chemistry","2011","50","","12241","12251","10.1021/ic200562h","","","0.71073","MoKα","","0.0696","0.0502","","","0.113","0.1199","","","","","","0.994","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327063","10.7926","0.0008","21.6647","0.0015","12.776","0.0009","90","","95.411","0.004","90","","2974","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 N3 -","- C33 H47 N3 -","- C132 H188 N12 -","4","1","","Douglas W. Stephan; Sharonna Greenberg; Todd W. Graham; Preston Chase; Jeff J. Hastie; Stephen J. Geier; Jeffrey M. Farrell; Christopher C. Brown; Zachariah M. Heiden; Gregory C. Welch; Matthias Ullrich","Metal-Free Catalytic Hydrogenation of Polar Substrates by Frustrated Lewis Pairs","Inorganic Chemistry","2011","50","","12338","12348","10.1021/ic200663v","","","0.71073","MoKα","","0.0706","0.0473","","","0.1065","0.1193","","","","","","0.957","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327064","10.7406","0.0004","20.1889","0.0008","17.6655","0.0007","90","","94.628","0.001","90","","3818.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 B Cl4 N3 -","- C34 H52 B Cl4 N3 -","- C136 H208 B4 Cl16 N12 -","4","1","","Yuzhong Wang; Gregory H. Robinson","Carbene Stabilization of Highly Reactive Main-Group Molecules","Inorganic Chemistry","2011","50","","12326","12337","10.1021/ic200675u","","","0.71073","MoKα","","0.0797","0.0554","","","0.1446","0.1614","","","","","","1.023","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327065","11.8042","0.0006","17.7389","0.0009","15.7116","0.0008","90","","92.856","0.001","90","","3285.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 B N3 -","- C33 H50 B N3 -","- C132 H200 B4 N12 -","4","1","","Yuzhong Wang; Gregory H. Robinson","Carbene Stabilization of Highly Reactive Main-Group Molecules","Inorganic Chemistry","2011","50","","12326","12337","10.1021/ic200675u","","","0.71073","MoKα","","0.0629","0.046","","","0.1188","0.1366","","","","","","1.025","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327066","15.1072","0.0013","11.8124","0.001","20.1012","0.0017","90","","110.143","0.001","90","","3367.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 B2 N4 -","- C34 H52 B2 N4 -","- C136 H208 B8 N16 -","4","1","","Yuzhong Wang; Gregory H. Robinson","Carbene Stabilization of Highly Reactive Main-Group Molecules","Inorganic Chemistry","2011","50","","12326","12337","10.1021/ic200675u","","","0.71073","MoKα","","0.0699","0.0465","","","0.1298","0.1467","","","","","","1.01","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327067","10.0389","0.0005","20.1943","0.0011","17.6677","0.0011","90","","99.898","0.003","90","","3528.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 Cl3 N2 Si -","- C35 H47 Cl3 N2 Si -","- C140 H188 Cl12 N8 Si4 -","4","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.0533","0.0387","","","0.0938","0.1015","","","","","","1.02","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327068","20.2749","0.0006","18.6319","0.0005","20.417","0.0006","90","","90","","90","","7712.7","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H54 Cl3 N2 Si -","- C38 H54 Cl3 N2 Si -","- C304 H432 Cl24 N16 Si8 -","8","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.1098","0.0531","","","0.112","0.14","","","","","","1.017","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327069","16.414","0.003","22.426","0.005","18.926","0.004","90","","90","","90","","6967","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H47 Cl Ge N2 -","- C35 H47 Cl Ge N2 -","- C280 H376 Cl8 Ge8 N16 -","8","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.1155","0.0689","","","0.1835","0.2092","","","","","","1.029","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327070","16.504","0.003","22.298","0.005","18.868","0.004","90","","90","","90","","6944","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H47 Cl N2 Sn -","- C35 H47 Cl N2 Sn -","- C280 H376 Cl8 N16 Sn8 -","8","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.0819","0.0448","","","0.1114","0.1295","","","","","","1.03","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327071","29.304","0.006","12.205","0.002","27.204","0.005","90","","94.18","0.03","90","","9704","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H55 F3 N2 O4 Pb S -","- C40 H55 F3 N2 O4 Pb S -","- C320 H440 F24 N16 O32 Pb8 S8 -","8","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.0983","0.0685","","","0.1718","0.1923","","","","","","1.033","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327072","11.9565","0.0007","12.0716","0.0007","14.1529","0.0008","86.468","0.002","70.557","0.002","65.81","0.002","1750.46","0.18","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H108 N4 Si2 -","- C76 H108 N4 Si2 -","- C76 H108 N4 Si2 -","1","0.5","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.1167","0.057","","","0.1133","0.135","","","","","","1.004","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327073","11.968","0.002","12.134","0.002","14.323","0.003","86.6","0.03","70.97","0.03","65.86","0.03","1787.7","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H108 Ge2 N4 -","- C76 H108 Ge2 N4 -","- C76 H108 Ge2 N4 -","1","0.5","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.0619","0.0414","","","0.0884","0.0962","","","","","","1.03","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327074","16.627","0.003","19.181","0.004","21.647","0.004","90","","103.36","0.03","90","","6717","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H94 N4 Sn2 -","- C70 H94 N4 Sn2 -","- C280 H376 N16 Sn8 -","4","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.0923","0.0446","","","0.089","0.1061","","","","","","1.045","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327075","9.899","0.002","10.533","0.002","15.683","0.003","84.35","0.03","80.53","0.03","71.89","0.03","1531.1","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H48 N2 -","- C35 H48 N2 -","- C70 H96 N4 -","2","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.0955","0.0555","","","0.13","0.1513","","","","","","1.027","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327076","11.698","0.002","13.099","0.003","24.937","0.005","87.85","0.03","76.53","0.03","65.22","0.03","3366","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H94 Li2 N4 -","- C70 H94 Li2 N4 -","- C140 H188 Li4 N8 -","2","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.1439","0.0792","","","0.217","0.2435","","","","","","1.065","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327077","7.5607","0.0008","10.2342","0.0007","5.5156","0.0004","90","","90","","90","","426.78","0.06","100","2","100","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- F2 H Mn2 O3 P -","- F2 H Mn2 O3 P -","- F8 H4 Mn8 O12 P4 -","4","0.5","","Joseba Orive; José L. Mesa; Rolindes Balda; Joaquín Fernández; Jesús Rodríguez Fernández; Teófilo Rojo; María I. Arriortua","Enhancement of the Luminescent Properties of a New Red-Emitting Phosphor, Mn2(HPO3)F2, by Zn Substitution","Inorganic Chemistry","2011","50","","12463","12476","10.1021/ic201226t","","","0.71073","MoKα","","0.03","0.0191","","","0.0401","0.0424","","","","","","0.927","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327078","8.774","0.0006","9.431","0.0007","16.213","0.0012","98.902","0.001","92.726","0.001","109.009","0.001","1246.24","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","08183","","","- C25 H26 Ir N5 O4 -","- C25 H26 Ir N5 O4 -","- C50 H52 Ir2 N10 O8 -","2","1","","Kyle R. Schwartz; Kent R. Mann","Optical Response of a Cyclometalated Iridium(III) Hydrazino Complex to Carbon Dioxide: Generation of a Strongly Luminescent Iridium(III) Carbazate","Inorganic Chemistry","2011","50","","12477","12485","10.1021/ic201286k","","","0.71069","MoKα","","0.0354","0.027","","","0.0617","0.0656","","","","","","1.091","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327079","15.024","0.003","9.717","0.0019","18.813","0.004","90","","109.883","0.003","90","","2582.8","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","08160","","","- C23 H26 F3 Ir N6 O4 S -","- C23 H26 F3 Ir N6 O4 S -","- C92 H104 F12 Ir4 N24 O16 S4 -","4","1","","Kyle R. Schwartz; Kent R. Mann","Optical Response of a Cyclometalated Iridium(III) Hydrazino Complex to Carbon Dioxide: Generation of a Strongly Luminescent Iridium(III) Carbazate","Inorganic Chemistry","2011","50","","12477","12485","10.1021/ic201286k","","","0.71073","MoKα","","0.0683","0.0412","","","0.1013","0.1167","","","","","","1.069","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327080","10.917","0.005","11.269","0.005","17.271","0.005","90","0.005","90.675","0.005","90","0.005","2124.6","1.5","295","2","295","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C21 H14 N4 O7 Re -","- C21 H14 N4 O7 Re -","- C84 H56 N16 O28 Re4 -","4","1","","Marietjie Schutte; Gerdus Kemp; Hendrik G. Visser; Andreas Roodt","Tuning the Reactivity in Classic Low-Spin d6 Rhenium(I) Tricarbonyl Radiopharmaceutical Synthon by Selective Bidentate Ligand Variation (L,L'-Bid; L,L'=N,N', N,O, and O,O' Donor Atom Sets) in fac-[Re(CO)3(L,L'-Bid)(MeOH)]n Complexes","Inorganic Chemistry","2011","50","","12486","12498","10.1021/ic2013792","","","0.71069","MoKα","","0.0574","0.0335","","","0.0684","0.0752","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327081","14.843","0.005","13.975","0.005","7.46","0.005","90","0.005","100.701","0.005","90","0.005","1520.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N O9 Re -","- C14 H8 N O9 Re -","- C56 H32 N4 O36 Re4 -","4","1","","Marietjie Schutte; Gerdus Kemp; Hendrik G. Visser; Andreas Roodt","Tuning the Reactivity in Classic Low-Spin d6 Rhenium(I) Tricarbonyl Radiopharmaceutical Synthon by Selective Bidentate Ligand Variation (L,L'-Bid; L,L'=N,N', N,O, and O,O' Donor Atom Sets) in fac-[Re(CO)3(L,L'-Bid)(MeOH)]n Complexes","Inorganic Chemistry","2011","50","","12486","12498","10.1021/ic2013792","","","0.71073","MoKα","","0.0499","0.0353","","","0.0726","0.0811","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327082","6.386","0.005","9.318","0.005","19.509","0.005","103.592","0.005","93.747","0.005","95.85","0.005","1117.7","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N3 O7 Re -","- C24 H16 N3 O7 Re -","- C48 H32 N6 O14 Re2 -","2","1","","Marietjie Schutte; Gerdus Kemp; Hendrik G. Visser; Andreas Roodt","Tuning the Reactivity in Classic Low-Spin d6 Rhenium(I) Tricarbonyl Radiopharmaceutical Synthon by Selective Bidentate Ligand Variation (L,L'-Bid; L,L'=N,N', N,O, and O,O' Donor Atom Sets) in fac-[Re(CO)3(L,L'-Bid)(MeOH)]n Complexes","Inorganic Chemistry","2011","50","","12486","12498","10.1021/ic2013792","","","0.71073","MoKα","","0.0321","0.0293","","","0.0728","0.0813","","","","","","1.107","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327083","7.551","0.005","9.768","0.005","13.373","0.005","94.173","0.005","95.504","0.005","102.569","0.005","953.8","0.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 O7.98 Re -","- C20 H17 O7.978 Re -","- C40 H34 O15.956 Re2 -","2","1","","Marietjie Schutte; Gerdus Kemp; Hendrik G. Visser; Andreas Roodt","Tuning the Reactivity in Classic Low-Spin d6 Rhenium(I) Tricarbonyl Radiopharmaceutical Synthon by Selective Bidentate Ligand Variation (L,L'-Bid; L,L'=N,N', N,O, and O,O' Donor Atom Sets) in fac-[Re(CO)3(L,L'-Bid)(MeOH)]n Complexes","Inorganic Chemistry","2011","50","","12486","12498","10.1021/ic2013792","","","0.71073","MoKα","","0.0356","0.0285","","","0.0655","0.0733","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327084","3.92688","","3.92688","","7.93329","","90","","90","","90","","122.334","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba0.5 Fe2.5 O4.1 Sr2 -","- Ba0.5 Fe2.5 O6.37 Sr2 -","- Ba0.5 Fe2.5 O6.37 Sr2 -","1","0.0625","","Mihai Sturza; Sylvie Daviero-Minaud; Marielle Huvé; Nicolas Renaut; Nicolas Tiercelin; Olivier Mentré","High Dilution of Anionic Vacancies in Sr0.8Ba0.2Fe(O,F)~2.5","Inorganic Chemistry","2011","50","","12499","12507","10.1021/ic2014072","powder diffraction","neutron","1.22523","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.334","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327085","13.3092","0.0003","16.5654","0.0003","20.9868","0.0004","90","","90.018","0.001","90","","4627.01","0.16","100","2","100","2","","","","","","","synthesis as described","7","P 1 2/n 1","-P 2yac","13","RTLIEU","","","- C64 H104 Cl3 Eu2 F3 N16 O30.16 -","- C64 H104 Cl3 Eu2 F3 N16 O30.158 -","- C128 H208 Cl6 Eu4 F6 N32 O60.316 -","2","0.5","","Luís M. P. Lima; Alexandre Lecointre; Jean-François Morfin; Andrés de Blas; Dimitris Visvikis; Loïc J. Charbonnière; Carlos Platas-Iglesias; Raphaël Tripier","Positively Charged Lanthanide Complexes with Cyclen-Based Ligands: Synthesis, Solid-State and Solution Structure, and Fluoride Interaction","Inorganic Chemistry","2011","50","","12508","12521","10.1021/ic201447c","","x-ray","0.71073","MoKα","","0.0727","0.0417","","","0.0976","0.1117","","","","","","1.021","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327086","14.2869","0.0004","14.2869","0.0004","23.9665","0.0011","90","","90","","90","","4891.9","0.3","170","2","170","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C32 H71 Cl3 La N8 O16 -","- C32 H71.004 Cl3 La N8 O16.004 -","- C128 H284.016 Cl12 La4 N32 O64.016 -","4","0.25","","Luís M. P. Lima; Alexandre Lecointre; Jean-François Morfin; Andrés de Blas; Dimitris Visvikis; Loïc J. Charbonnière; Carlos Platas-Iglesias; Raphaël Tripier","Positively Charged Lanthanide Complexes with Cyclen-Based Ligands: Synthesis, Solid-State and Solution Structure, and Fluoride Interaction","Inorganic Chemistry","2011","50","","12508","12521","10.1021/ic201447c","","x-ray","0.71073","MoKα","","0.0861","0.0446","","","0.1238","0.1381","","","","","","1.134","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327087","45.936","0.004","12.7624","0.001","25.324","0.002","90","","107.793","0.001","90","","14136","2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H108 N3 Na Nb O6 P5 -","- C63 H108 N3 Na Nb O6 P5 -","- C504 H864 N24 Na8 Nb8 O48 P40 -","8","2","","Daniel Tofan; Brandi M. Cossairt; Christopher C. Cummins","White Phosphorus Activation at a Metal-Phosphorus Triple Bond: a New Route to cyclo-Triphosphorus or cyclo-Pentaphosphorus Complexes of Niobium","Inorganic Chemistry","2011","50","","12349","12358","10.1021/ic2014607","","","0.71073","MoKα","","0.0579","0.0403","","","0.0874","0.0969","","","","","","1.031","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327088","12.89","0.0009","19.0324","0.0014","19.1027","0.0014","90","","100.187","0.001","90","","4612.5","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H68 N3 Na Nb O P3 -","- C43 H68 N3 Na Nb O P3 -","- C172 H272 N12 Na4 Nb4 O4 P12 -","4","1","","Daniel Tofan; Brandi M. Cossairt; Christopher C. Cummins","White Phosphorus Activation at a Metal-Phosphorus Triple Bond: a New Route to cyclo-Triphosphorus or cyclo-Pentaphosphorus Complexes of Niobium","Inorganic Chemistry","2011","50","","12349","12358","10.1021/ic2014607","","","0.71073","MoKα","","0.054","0.0335","","","0.0748","0.0842","","","","","","1.046","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4327089","19.8516","0.0016","20.9553","0.0017","27.441","0.002","90","","90","","90","","11415.4","1.5","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H73 B N6 O3 Re S3 -","- C63 H73 B N6 O3 Re S3 -","- C504 H584 B8 N48 O24 Re8 S24 -","8","1","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0692","0.0476","","","0.1191","0.1321","","","","","","1.111","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327090","15.9998","0.0008","15.9998","0.0008","19.319","0.001","90","","90","","120","","4283","0.4","125","2","125","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H34 B N6 O3 Re S3 -","- C24 H34 B N6 O3 Re S3 -","- C144 H204 B6 N36 O18 Re6 S18 -","6","0.333333","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0307","0.0226","","","0.048","0.0517","","","","","","1.155","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327091","15.178","0.0006","15.178","0.0006","69.1","0.003","90","","90","","120","","13786","1","125","2","125","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C41 H56 B Cl4 I N6 S3 Zn -","- C39 H52 B I N6 S3 Zn -","- C468 H624 B12 I12 N72 S36 Zn12 -","12","0.333333","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0612","0.0381","","","0.1126","0.1161","","","","","","1.063","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327092","20.059","0.004","21.116","0.004","29.744","0.006","90","","90","","90","","12599","4","170","2","170","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H84 B Cl In N8 S4 -","- C67 H84 B Cl In N8 S4 -","- C536 H672 B8 Cl8 In8 N64 S32 -","8","1","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0909","0.0406","","","0.0696","0.0851","","","","","","1.002","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327093","12.8374","0.0006","13.1735","0.0006","28.5606","0.0016","98.655","0.001","91.301","0.001","117.76","0.001","4201.6","0.4","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H104 B2 I4 In2 N12 S6 -","- C78 H104 B2 I4 In2 N12 S6 -","- C156 H208 B4 I8 In4 N24 S12 -","2","1","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0541","0.0376","","","0.0829","0.09","","","","","","1.054","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327094","23.402","0.003","12.9305","0.0014","20.598","0.002","90","","105.092","0.001","90","","6018","1.2","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H58 B2 F15 In N8 S3 -","- C57 H52 B2 F15 In N6 S3 -","- C228 H208 B8 F60 In4 N24 S12 -","4","1","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0582","0.0527","","","0.1141","0.116","","","","","","1.207","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327095","17.372","0.003","17.372","0.003","17.372","0.003","90","","90","","90","","5242.6","1.6","150","2","150","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C42 H58 B Cl6 Ga I2 N6 S3 -","- C42 H58 B Cl6 Ga I2 N6 S3 -","- C168 H232 B4 Cl24 Ga4 I8 N24 S12 -","4","0.333333","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0485","0.0401","","","0.1091","0.1153","","","","","","1.042","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327096","43.038","0.003","10.4807","0.0006","24.4546","0.0015","90","","110.43","0.001","90","","10336.9","1.1","170","2","170","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H54 B Cl2 Ga2 I5 N6 S3 -","- C40 H54 B Cl2 Ga2 I5 N6 S3 -","- C320 H432 B8 Cl16 Ga16 I40 N48 S24 -","8","1","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0973","0.0457","","","0.0883","0.1048","","","","","","1.001","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327097","12.861","0.004","14.191","0.004","15.9","0.005","78.766","0.004","80.164","0.004","70.775","0.004","2669.7","1.4","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H116 B2 Cl9.12 Ga4 I4.88 N14 S6 -","- C86 H116 B2 Cl9.124 Ga4 I4.876 N14 S6 -","- C86 H116 B2 Cl9.124 Ga4 I4.876 N14 S6 -","1","0.5","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.1916","0.07","","","0.1536","0.1981","","","","","","1.002","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327098","12.7614","0.0009","22.6171","0.0016","20.7143","0.0015","90","","94.714","0.001","90","","5958.5","0.7","125","2","125","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H56 B2 Cl4 F15 Ga N6 S3 -","- C57 H52 B2 F15 Ga N6 S3 -","- C228 H208 B8 F60 Ga4 N24 S12 -","4","1","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0554","0.0392","","","0.0966","0.1016","","","","","","1.082","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327099","19.795","0.0008","12.613","0.0006","17.7058","0.0008","90","","90","","90","","4420.7","0.3","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H45 I P3 Rh -","- C54 H45 I P3 Rh -","- C216 H180 I4 P12 Rh4 -","4","1","","Aurélien Béthegnies; Vladislava A. Kirkina; Oleg A. Filippov; Jean-Claude Daran; Natalia V. Belkova; Elena Shubina; Rinaldo Poli","Coordination and Organometallic Chemistry of Relevance to the Rhodium-Based Catalyst for Ethylene Hydroamination","Inorganic Chemistry","2011","50","","12539","12552","10.1021/ic201508m","","","0.71073","MoKα","","0.0275","0.0236","","","0.0558","0.057","","","","","","1.049","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327100","9.7226","0.0002","12.6361","0.0003","13.7002","0.0004","85.091","0.002","83.067","0.002","79.384","0.002","1638.78","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cl P2 Rh -","- C36 H30 Cl P2 Rh -","- C72 H60 Cl2 P4 Rh2 -","2","1","","Aurélien Béthegnies; Vladislava A. Kirkina; Oleg A. Filippov; Jean-Claude Daran; Natalia V. Belkova; Elena Shubina; Rinaldo Poli","Coordination and Organometallic Chemistry of Relevance to the Rhodium-Based Catalyst for Ethylene Hydroamination","Inorganic Chemistry","2011","50","","12539","12552","10.1021/ic201508m","","","0.71073","MoKα","","0.0361","0.0283","","","0.0893","0.0938","","","","","","1.081","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327101","14.007","0.003","22.74","0.005","14.397","0.003","90","","91.844","0.003","90","","4583.3","1.7","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C51 H96 Cl12 N9 Na O8 Pt5 Sn6 -","- C51 H96 Cl12 N9 Na O8 Pt5 Sn6 -","- C102 H192 Cl24 N18 Na2 O16 Pt10 Sn12 -","2","0.5","","Alessandro Ceriotti; Matteo Daghetta; Simona El Afefey; Andrea Ienco; Giuliano Longoni; Gabriele Manca; Carlo Mealli; Stefano Zacchini; Salvatore Zarra","Electronic Stabilization of trigonal Bipyramidal Clusters: the Role of the Sn(II) Ions in [Pt5(CO)5{Cl2Sn(μ-OR)SnCl2}3]3- (R = H, Me, Et, iPr)","Inorganic Chemistry","2011","50","","12553","12561","10.1021/ic201519j","","","0.71073","MoKα","","0.0974","0.0644","","","0.1655","0.192","","","","","","1.047","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327102","15.47","0.002","15.647","0.002","26.54","0.005","97.942","0.002","95.258","0.002","116.882","0.002","5588.1","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C95 H99 Cl12 O11 P3 Pt5 Sn6 -","- C95 H99 Cl12 O11 P3 Pt5 Sn6 -","- C190 H198 Cl24 O22 P6 Pt10 Sn12 -","2","1","","Alessandro Ceriotti; Matteo Daghetta; Simona El Afefey; Andrea Ienco; Giuliano Longoni; Gabriele Manca; Carlo Mealli; Stefano Zacchini; Salvatore Zarra","Electronic Stabilization of trigonal Bipyramidal Clusters: the Role of the Sn(II) Ions in [Pt5(CO)5{Cl2Sn(μ-OR)SnCl2}3]3- (R = H, Me, Et, iPr)","Inorganic Chemistry","2011","50","","12553","12561","10.1021/ic201519j","","","0.71073","MoKα","","0.0505","0.0456","","","0.1179","0.1207","","","","","","1.069","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327103","7.5987","0.0015","9.4869","0.0019","9.592","0.0019","93.83","0.03","105.8","0.03","94.93","0.03","659.9","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H12 Ag Br N2 O7 S -","- C7 H12 Ag Br N2 O7 S -","- C14 H24 Ag2 Br2 N4 O14 S2 -","2","1","","Xiang-Qian Fang; Zhao-Peng Deng; Li-Hua Huo; Wang Wan; Zhi-Biao Zhu; Hui Zhao; Shan Gao","New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties","Inorganic Chemistry","2011","50","","12562","12574","10.1021/ic201589p","","","0.71073","MoKα","","0.0647","0.0576","","","0.1561","0.1663","","","","","","1.073","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327104","9.4697","0.0019","10.256","0.002","12.099","0.002","87.9","0.03","88.38","0.03","81.24","0.03","1160.3","0.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H15 Ag3 Br2 N2 O13 S2 -","- C14 H15 Ag3 Br2 N2 O13 S2 -","- C28 H30 Ag6 Br4 N4 O26 S4 -","2","1","","Xiang-Qian Fang; Zhao-Peng Deng; Li-Hua Huo; Wang Wan; Zhi-Biao Zhu; Hui Zhao; Shan Gao","New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties","Inorganic Chemistry","2011","50","","12562","12574","10.1021/ic201589p","","","0.71073","MoKα","","0.0402","0.0361","","","0.0999","0.1081","","","","","","1.09","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327105","6.6639","0.0013","9.5487","0.0019","9.977","0.002","84.26","0.03","75.75","0.03","86.71","0.03","611.9","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H7 Ag2 Br O8 S -","- C7 H7 Ag2 Br O8 S -","- C14 H14 Ag4 Br2 O16 S2 -","2","1","","Xiang-Qian Fang; Zhao-Peng Deng; Li-Hua Huo; Wang Wan; Zhi-Biao Zhu; Hui Zhao; Shan Gao","New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties","Inorganic Chemistry","2011","50","","12562","12574","10.1021/ic201589p","","","0.71073","MoKα","","0.0576","0.0469","","","0.1141","0.1384","","","","","","1.017","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327106","13.257","0.003","6.5426","0.0013","14.635","0.003","90","","104.98","0.03","90","","1226.2","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Ag4 N4 O14 S2 -","- C14 H24 Ag4 N4 O14 S2 -","- C28 H48 Ag8 N8 O28 S4 -","2","0.5","","Xiang-Qian Fang; Zhao-Peng Deng; Li-Hua Huo; Wang Wan; Zhi-Biao Zhu; Hui Zhao; Shan Gao","New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties","Inorganic Chemistry","2011","50","","12562","12574","10.1021/ic201589p","","","0.71073","MoKα","","0.1165","0.0727","","","0.1799","0.2164","","","","","","1.036","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327107","20.417","0.004","7.7642","0.0016","11.886","0.002","90","","103.96","0.03","90","","1828.5","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Ag O7 S -","- C7 H7 Ag O7 S -","- C56 H56 Ag8 O56 S8 -","8","1","","Xiang-Qian Fang; Zhao-Peng Deng; Li-Hua Huo; Wang Wan; Zhi-Biao Zhu; Hui Zhao; Shan Gao","New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties","Inorganic Chemistry","2011","50","","12562","12574","10.1021/ic201589p","","","0.71073","MoKα","","0.0256","0.0216","","","0.0455","0.0532","","","","","","1.094","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327108","19.227","0.004","8.2824","0.0017","11.582","0.002","90","","106.27","0.03","90","","1770.5","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Ag2 O6 S -","- C7 H4 Ag2 O6 S -","- C56 H32 Ag16 O48 S8 -","8","1","","Xiang-Qian Fang; Zhao-Peng Deng; Li-Hua Huo; Wang Wan; Zhi-Biao Zhu; Hui Zhao; Shan Gao","New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties","Inorganic Chemistry","2011","50","","12562","12574","10.1021/ic201589p","","","0.71073","MoKα","","0.061","0.0446","","","0.0875","0.0962","","","","","","1.005","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327109","6.2647","0.0013","8.3431","0.0017","12.831","0.003","89.65","0.03","80.19","0.03","83.36","0.03","656.3","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H12 Ag3 N3 O6 S -","- C7 H12 Ag3 N3 O6 S -","- C14 H24 Ag6 N6 O12 S2 -","2","1","","Xiang-Qian Fang; Zhao-Peng Deng; Li-Hua Huo; Wang Wan; Zhi-Biao Zhu; Hui Zhao; Shan Gao","New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties","Inorganic Chemistry","2011","50","","12562","12574","10.1021/ic201589p","","","0.71073","MoKα","","0.0598","0.0514","","","0.1493","0.1611","","","","","","1.051","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327110","6.9889","0.0014","7.4711","0.0015","9.6405","0.0019","70.8","0.03","85.46","0.03","73.85","0.03","456.57","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 Ag2 O6 S -","- C7 H4 Ag2 O6 S -","- C14 H8 Ag4 O12 S2 -","2","1","","Xiang-Qian Fang; Zhao-Peng Deng; Li-Hua Huo; Wang Wan; Zhi-Biao Zhu; Hui Zhao; Shan Gao","New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties","Inorganic Chemistry","2011","50","","12562","12574","10.1021/ic201589p","","","0.71073","MoKα","","0.0365","0.031","","","0.0758","0.0871","","","","","","1.086","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327111","10.8102","0.0004","16.2514","0.0005","12.5666","0.0004","90","","94.559","0.001","90","","2200.73","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag6 O15 S2 -","- C14 H12 Ag6 O15 S2 -","- C56 H48 Ag24 O60 S8 -","4","1","","Xiang-Qian Fang; Zhao-Peng Deng; Li-Hua Huo; Wang Wan; Zhi-Biao Zhu; Hui Zhao; Shan Gao","New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties","Inorganic Chemistry","2011","50","","12562","12574","10.1021/ic201589p","","","0.71073","MoKα","","0.0692","0.0479","","","0.1162","0.1391","","","","","","1.071","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327112","16.936","0.0009","10.7232","0.0005","25.4174","0.0013","90","","93.334","0.004","90","","4608.2","0.4","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 Cl2 Fe2 O6 P3 S2 -","- C42 H55 Cl2 Fe2 O6 P3 S2 -","- C168 H220 Cl8 Fe8 O24 P12 S8 -","4","1","","Dounia Chouffai; Giuseppe Zampella; Jean-François Capon; Luca De Gioia; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin","Oxidatively Induced Reactivity of [Fe2(CO)4(κ2-dppe)(μ-pdt)]: an Electrochemical and Theoretical Study of the Structure Change and Ligand Binding Processes","Inorganic Chemistry","2011","50","","12575","12585","10.1021/ic201601q","","x-ray","0.71073","MoKα","","0.1469","0.0759","","","0.1531","0.1829","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327113","13.161","0.003","15.363","0.003","16.558","0.004","77.681","0.006","83.095","0.006","69.194","0.006","3053.9","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H36 Cl2 N10 O10 Ru -","- C55 H36 Cl2 N10 O10 Ru -","- C110 H72 Cl4 N20 O20 Ru2 -","2","1","","Chanchal Bhaumik; Debasish Saha; Shyamal Das; Sujoy Baitalik","Synthesis, Structural Characterization, Photophysical, Electrochemical, and Anion-Sensing Studies of Luminescent Homo- and Heteroleptic Ruthenium(II) and Osmium(II) Complexes Based on Terpyridyl-imidazole Ligand","Inorganic Chemistry","2011","50","","12586","12600","10.1021/ic201610w","","","0.71073","MoKα","","0.1063","0.0548","","","0.1378","0.1595","","","","","","0.868","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327114","11.411","0.005","17.197","0.005","18.229","0.005","106.168","0.005","101.939","0.005","98.299","0.005","3283","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H46 Cl2 N10 O9 Ru -","- C72 H46 Cl2 N10 O9 Ru -","- C144 H92 Cl4 N20 O18 Ru2 -","2","1","","Chanchal Bhaumik; Debasish Saha; Shyamal Das; Sujoy Baitalik","Synthesis, Structural Characterization, Photophysical, Electrochemical, and Anion-Sensing Studies of Luminescent Homo- and Heteroleptic Ruthenium(II) and Osmium(II) Complexes Based on Terpyridyl-imidazole Ligand","Inorganic Chemistry","2011","50","","12586","12600","10.1021/ic201610w","","","0.71073","MoKα","","0.0966","0.0584","","","0.1532","0.1702","","","","","","0.968","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327115","11.442","0.005","17.217","0.005","18.199","0.005","106.331","0.005","102.036","0.005","98.161","0.005","3287","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H46 Cl2 N10 O10 Os -","- C72 H46 Cl2 N10 O10 Os -","- C144 H92 Cl4 N20 O20 Os2 -","2","1","","Chanchal Bhaumik; Debasish Saha; Shyamal Das; Sujoy Baitalik","Synthesis, Structural Characterization, Photophysical, Electrochemical, and Anion-Sensing Studies of Luminescent Homo- and Heteroleptic Ruthenium(II) and Osmium(II) Complexes Based on Terpyridyl-imidazole Ligand","Inorganic Chemistry","2011","50","","12586","12600","10.1021/ic201610w","","","0.71073","MoKα","","0.0606","0.0457","","","0.1251","0.1334","","","","","","0.876","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327116","22.6272","0.0006","19.8317","0.0004","31.1009","0.0007","90","","95.435","0.001","90","","13893.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H81 Fe2 N P4 -","- C81 H81 Fe2 N P4 -","- C648 H648 Fe16 N8 P32 -","8","2","","Costuas, Karine; Cador, Olivier; Justaud, Frédéric; Le Stang, Sylvie; Paul, Frédéric; Monari, Antonio; Evangelisti, Stefano; Toupet, Loï C; Lapinte, Claude; Halet, Jean-François","3,5-Bis(ethynyl)pyridine and 2,6-Bis(ethynyl)pyridine Spanning Two Fe(Cp*)(dppe) Units: Role of the Nitrogen Atom on the Electronic and Magnetic Couplings","Inorganic Chemistry","2011","50","24","12601","12622","10.1021/ic2016148","","","0.71069","MoKα","","0.1479","0.0594","","","0.135","0.1787","","","","","","1.005","","","","has coordinates","210346","2020-10-21","18:00:00",""
"4327117","9.3407","0.0004","18.4949","0.0008","24.4587","0.0008","67.32","0.003","79.629","0.003","84.274","0.003","3832.8","0.3","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H100 Fe2 N P4 -","- C88 H88 Fe2 N P4 -","- C176 H176 Fe4 N2 P8 -","2","1","","Costuas, Karine; Cador, Olivier; Justaud, Frédéric; Le Stang, Sylvie; Paul, Frédéric; Monari, Antonio; Evangelisti, Stefano; Toupet, Loï C; Lapinte, Claude; Halet, Jean-François","3,5-Bis(ethynyl)pyridine and 2,6-Bis(ethynyl)pyridine Spanning Two Fe(Cp*)(dppe) Units: Role of the Nitrogen Atom on the Electronic and Magnetic Couplings","Inorganic Chemistry","2011","50","24","12601","12622","10.1021/ic2016148","","","0.71069","MoKα","","0.0873","0.0544","","","0.1653","0.1743","","","","","","1.034","","","","has coordinates","210346","2020-10-21","18:00:00",""
"4327118","14.22","0.002","31.379","0.003","14.747","0.002","90","","116.663","0.008","90","","5880.5","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H57 N O P Re S6 -","- C69 H57 N O P Re S6 -","- C276 H228 N4 O4 P4 Re4 S24 -","4","1","","Stephen Sproules; Thomas Weyhermüller; Richard Goddard; Karl Wieghardt","The Rhenium Tris(dithiolene) Electron Transfer Series: Calibrating Covalency","Inorganic Chemistry","2011","50","","12623","12631","10.1021/ic2016534","","","0.71073","MoKα","","0.0402","0.0337","","","0.0751","0.0783","","","","","","1.047","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327119","14.173","0.001","31.364","0.003","14.7187","0.0012","90","","116.539","0.004","90","","5853.4","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H59 N O P Re S6 -","- C70 H59 N O P Re S6 -","- C280 H236 N4 O4 P4 Re4 S24 -","4","1","","Stephen Sproules; Thomas Weyhermüller; Richard Goddard; Karl Wieghardt","The Rhenium Tris(dithiolene) Electron Transfer Series: Calibrating Covalency","Inorganic Chemistry","2011","50","","12623","12631","10.1021/ic2016534","","","0.71073","MoKα","","0.0538","0.0499","","","0.1094","0.1116","","","","","","1.325","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327120","20.032","0.008","15.316","0.006","18.062","0.007","90","","90","","90","","5542","4","150","2","150","","","","","","","","dichloromethane/pentane","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 N6 P2 Re S6 -","- C60 H40 N6 P2 Re S6 -","- C240 H160 N24 P8 Re4 S24 -","4","0.5","","Stephen Sproules; Thomas Weyhermüller; Richard Goddard; Karl Wieghardt","The Rhenium Tris(dithiolene) Electron Transfer Series: Calibrating Covalency","Inorganic Chemistry","2011","50","","12623","12631","10.1021/ic2016534","","","0.8","synchrotron","","0.0482","0.0363","","","0.0778","0.0841","","","","","","1.224","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327121","11.2357","0.0014","12.9285","0.0017","16.999","0.002","75.682","0.005","74.773","0.004","78.656","0.004","2285.6","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H55 B Cl6 Cu N6 P S3 -","- C36 H55 B Cl6 Cu N6 P S3 -","- C72 H110 B2 Cl12 Cu2 N12 P2 S6 -","2","1","","Gernot Nuss; Gerald Saischek; Bastian N. Harum; Manuel Volpe; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Pyridazine Based Scorpionate Ligand in a Copper Boratrane Compound","Inorganic Chemistry","2011","50","","12632","12640","10.1021/ic201666w","","","0.71073","MoKα","","0.0432","0.0372","","","0.099","0.1084","","","","","","1.085","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327122","9.3659","0.0004","22.7579","0.0009","17.5854","0.0007","90","","95.193","0.002","90","","3732.9","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.75 H36.5 B Cl4.5 Cu N6 S3 -","- C25.743 H36.486 B Cl4.486 Cu N6 S3 -","- C102.972 H145.944 B4 Cl17.944 Cu4 N24 S12 -","4","1","","Gernot Nuss; Gerald Saischek; Bastian N. Harum; Manuel Volpe; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Pyridazine Based Scorpionate Ligand in a Copper Boratrane Compound","Inorganic Chemistry","2011","50","","12632","12640","10.1021/ic201666w","","","0.71073","MoKα","","0.0745","0.054","","","0.1529","0.1757","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327123","9.7963","0.0004","9.9745","0.0004","19.2362","0.0008","82.217","0.002","81.372","0.002","85.079","0.002","1837.12","0.13","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","","bis(6-tert-butyl-3(2H)-pyridazinethionato-S)-chloro-(tricyclohexylphos- phine)-copper(I)","","- C34 H57 Cl Cu N4 P S2 -","- C34 H57 Cl Cu N4 P S2 -","- C68 H114 Cl2 Cu2 N8 P2 S4 -","2","1","","Gernot Nuss; Gerald Saischek; Bastian N. Harum; Manuel Volpe; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Pyridazine Based Scorpionate Ligand in a Copper Boratrane Compound","Inorganic Chemistry","2011","50","","12632","12640","10.1021/ic201666w","","","0.71073","MoKα","","0.0614","0.0372","","","0.0784","0.0874","","","","","","1.006","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327124","16.5494","0.0006","17.6573","0.0007","24.1261","0.0009","90","","107.479","0.0009","90","","6724.5","0.4","100","2","100","2","","","","","","","synthetical product","7","C 1 2/c 1","-C 2yc","15","","bis(mu2-hydrogen-tris(3-mercapto-6-tert-butyl-pyridazin-2-yl)borato-S,S', S'')-di-copper(I) dichloromethane solvate (1:3)","","- C51 H74 B2 Cl6 Cu2 N12 S6 -","- C51 H74 B2 Cl6 Cu2 N12 S6 -","- C204 H296 B8 Cl24 Cu8 N48 S24 -","4","0.5","","Gernot Nuss; Gerald Saischek; Bastian N. Harum; Manuel Volpe; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Pyridazine Based Scorpionate Ligand in a Copper Boratrane Compound","Inorganic Chemistry","2011","50","","12632","12640","10.1021/ic201666w","","","0.71073","MoKα","","0.0373","0.0298","","","0.0762","0.0811","","","","","","1.023","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327125","9.4486","0.0001","9.4486","0.0001","6.94259","0.00011","90","","90","","120","","536.769","0.012","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca10 F2 O24 S3 Si3 -","- Ca10 F2 O24 S3 Si3 -","- Ca10 F2 O24 S3 Si3 -","1","0.0833333","","Yanan Fang; Clemens Ritter; Tim White","The Crystal Chemistry of Ca10-y(SiO4)3(SO4)3Cl2-x-2yFx Ellestadite","Inorganic Chemistry","2011","50","","12641","12650","10.1021/ic201673r","powder diffraction","neutron","1.38994","neutron","","","","","","","","","","0.89","","","","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327126","9.6702","0.0003","9.6702","0.0003","6.8543","0.0003","90","","90","","120","","555.09","0.03","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca9.82 Cl1.64 O24 S3 Si3 -","- Ca9.816 Cl1.64 O24 S3 Si3 -","- Ca9.816 Cl1.64 O24 S3 Si3 -","1","0.0833333","","Yanan Fang; Clemens Ritter; Tim White","The Crystal Chemistry of Ca10-y(SiO4)3(SO4)3Cl2-x-2yFx Ellestadite","Inorganic Chemistry","2011","50","","12641","12650","10.1021/ic201673r","powder diffraction","neutron","1.38994","neutron","","","","","","","","","","0.84","","","","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327127","9.6239","0.0003","9.6239","0.0003","6.8774","0.0003","90","","90","","120","","551.64","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca9.72 Cl1.04 F0.4 O24 S3 Si3 -","- Ca9.718 Cl1.04 F0.398 O24 S3 Si3 -","- Ca9.718 Cl1.04 F0.398 O24 S3 Si3 -","1","0.0833333","","Yanan Fang; Clemens Ritter; Tim White","The Crystal Chemistry of Ca10-y(SiO4)3(SO4)3Cl2-x-2yFx Ellestadite","Inorganic Chemistry","2011","50","","12641","12650","10.1021/ic201673r","powder diffraction","neutron","1.38994","neutron","","","","","","","","","","0.58","","","","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327128","9.5772","0.0002","9.5772","0.0002","6.895","0.001","90","","90","","120","","547.7","0.08","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca9.87 Cl0.94 F0.8 O24 S3 Si3 -","- Ca9.868 Cl0.93 F0.796 O24 S3 Si3 -","- Ca9.868 Cl0.93 F0.796 O24 S3 Si3 -","1","0.0833333","","Yanan Fang; Clemens Ritter; Tim White","The Crystal Chemistry of Ca10-y(SiO4)3(SO4)3Cl2-x-2yFx Ellestadite","Inorganic Chemistry","2011","50","","12641","12650","10.1021/ic201673r","powder diffraction","neutron","1.38994","neutron","","","","","","","","","","0.61","","","","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327129","9.5312","0.0002","9.5312","0.0002","6.9181","0.0002","90","","90","","120","","544.27","0.02","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca9.92 Cl0.63 F1.21 O24 S3 Si3 -","- Ca9.922 Cl0.624 F1.214 O24 S3 Si3 -","- Ca9.922 Cl0.624 F1.214 O24 S3 Si3 -","1","0.0833333","","Yanan Fang; Clemens Ritter; Tim White","The Crystal Chemistry of Ca10-y(SiO4)3(SO4)3Cl2-x-2yFx Ellestadite","Inorganic Chemistry","2011","50","","12641","12650","10.1021/ic201673r","powder diffraction","neutron","1.38994","neutron","","","","","","","","","","0.73","","","","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327130","9.5064","0.0002","9.5064","0.0002","6.9263","0.0001","90","","90","","120","","542.081","0.018","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca10 Cl0.4 F1.6 O24 S3 Si3 -","- Ca10 Cl0.4 F1.6 O24 S3 Si3 -","- Ca10 Cl0.4 F1.6 O24 S3 Si3 -","1","0.0833333","","Yanan Fang; Clemens Ritter; Tim White","The Crystal Chemistry of Ca10-y(SiO4)3(SO4)3Cl2-x-2yFx Ellestadite","Inorganic Chemistry","2011","50","","12641","12650","10.1021/ic201673r","powder diffraction","neutron","1.38994","neutron","","","","","","","","","","0.74","","","","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327131","17.1486","0.0016","11.4474","0.0011","14.5026","0.0014","90","","109.012","0.002","90","","2691.7","0.4","193","2","193","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 N4 -","- C32 H36 N4 -","- C128 H144 N16 -","4","0.5","","Yu He; John D. Gorden; Christian R. Goldsmith","Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes","Inorganic Chemistry","2011","50","","12651","12660","10.1021/ic201695a","","x-ray","0.71073","MoKα","","0.1109","0.08","","","0.1914","0.2093","","","","","","1.123","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327132","10.3334","0.0006","16.4848","0.0009","18.6221","0.001","90","","90","","90","","3172.2","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 Cl2 Mn N5 -","- C34 H39 Cl2 Mn N5 -","- C136 H156 Cl8 Mn4 N20 -","4","1","","Yu He; John D. Gorden; Christian R. Goldsmith","Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes","Inorganic Chemistry","2011","50","","12651","12660","10.1021/ic201695a","","","0.71073","MoKα","","0.0935","0.0391","","","0.0588","0.07","","","","","","0.67","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327133","10.3299","0.001","16.3604","0.0016","18.4921","0.0018","90","","90","","90","","3125.2","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 Cl2 Fe N5 -","- C34 H39 Cl2 Fe N5 -","- C136 H156 Cl8 Fe4 N20 -","4","1","","Yu He; John D. Gorden; Christian R. Goldsmith","Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes","Inorganic Chemistry","2011","50","","12651","12660","10.1021/ic201695a","","","0.71073","MoKα","","0.0634","0.0509","","","0.0961","0.1018","","","","","","1.065","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327134","14.9875","0.0007","16.5523","0.0008","19.8461","0.001","90","","90","","90","","4923.4","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 F12 Fe N6 Sb2 -","- C36 H42 F12 Fe N6 Sb2 -","- C144 H168 F48 Fe4 N24 Sb8 -","4","1","","Yu He; John D. Gorden; Christian R. Goldsmith","Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes","Inorganic Chemistry","2011","50","","12651","12660","10.1021/ic201695a","","","0.71073","MoKα","","0.0644","0.048","","","0.1088","0.1155","","","","","","0.975","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327135","10.2508","0.0011","11.8558","0.0012","15.8754","0.0016","71.418","0.002","85.954","0.002","76.263","0.002","1776.4","0.3","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C34 H36 F6 Fe N4 O6 S2 -","- C34 H36 F6 Fe N4 O6 S2 -","- C68 H72 F12 Fe2 N8 O12 S4 -","2","1","","Yu He; John D. Gorden; Christian R. Goldsmith","Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes","Inorganic Chemistry","2011","50","","12651","12660","10.1021/ic201695a","","x-ray","0.71073","MoKα","","0.0796","0.0585","","","0.1711","0.1879","","","","","","1.05","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327136","16.8114","0.0012","29.958","0.0019","33.691","0.002","90","","90","","90","","16968","1.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H64 Ag17 O32 S17 -","- C112 H64 Ag17 O32 S17 -","- C448 H256 Ag68 O128 S68 -","4","1","","Di Sun; Fu-Jing Liu; Rong-Bin Huang; Lan-Sun Zheng","Anionic Heptadecanuclear Silver(I) Cluster Constructed from in Situ Generated 2-Mercaptobenzoic Acid and a Sulfide Anion","Inorganic Chemistry","2011","50","","12393","12395","10.1021/ic201746q","","","1.54178","CuKα","","0.1016","0.0818","","","0.2288","0.2394","","","","","","1.115","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327137","11.529","0.003","18.656","0.005","14.69","0.004","90","","94.713","0.008","90","","3148.9","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H58 N4 O -","- C30 H58 N4 O -","- C120 H232 N16 O4 -","4","1","","John A. T. Norman; Melanie Perez; M. S. Kim; Xinjian Lei; Sergei Ivanov; Agnes Derecskei-Kovacs; Laura Matz; Iain Buchanan; Arnold L. Rheingold","New Volatile Strontium and Barium Imidazolate Complexes for the Deposition of Group 2 Metal Oxides","Inorganic Chemistry","2011","50","","12396","12398","10.1021/ic201751q","","","0.71073","MoKα","","0.1293","0.0747","","","0.1628","0.1899","","","","","","1.022","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327138","10.106","0.0007","11.0806","0.0008","14.7829","0.001","95.888","0.006","105.336","0.005","97.627","0.006","1565.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H108 Ba2 N8 -","- C60 H108 Ba2 N8 -","- C60 H108 Ba2 N8 -","1","0.5","","John A. T. Norman; Melanie Perez; M. S. Kim; Xinjian Lei; Sergei Ivanov; Agnes Derecskei-Kovacs; Laura Matz; Iain Buchanan; Arnold L. Rheingold","New Volatile Strontium and Barium Imidazolate Complexes for the Deposition of Group 2 Metal Oxides","Inorganic Chemistry","2011","50","","12396","12398","10.1021/ic201751q","","","1.54178","CuKα","","0.0644","0.0528","","","0.132","0.1406","","","","","","1.055","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327139","10.2482","0.0012","19.567","0.002","17.162","0.002","90","","91.631","0.002","90","","3440","0.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H126 N8 Sr2 -","- C68 H126 N8 Sr2 -","- C136 H252 N16 Sr4 -","2","0.5","","John A. T. Norman; Melanie Perez; M. S. Kim; Xinjian Lei; Sergei Ivanov; Agnes Derecskei-Kovacs; Laura Matz; Iain Buchanan; Arnold L. Rheingold","New Volatile Strontium and Barium Imidazolate Complexes for the Deposition of Group 2 Metal Oxides","Inorganic Chemistry","2011","50","","12396","12398","10.1021/ic201751q","","","0.71073","MoKα","","0.0842","0.0657","","","0.1668","0.1801","","","","","","1.052","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327140","11.125","0.002","16.014","0.003","19.036","0.003","90","","93.203","0.007","90","","3386.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 N4 Sr -","- C34 H62 N4 Sr -","- C136 H248 N16 Sr4 -","4","1","","John A. T. Norman; Melanie Perez; M. S. Kim; Xinjian Lei; Sergei Ivanov; Agnes Derecskei-Kovacs; Laura Matz; Iain Buchanan; Arnold L. Rheingold","New Volatile Strontium and Barium Imidazolate Complexes for the Deposition of Group 2 Metal Oxides","Inorganic Chemistry","2011","50","","12396","12398","10.1021/ic201751q","","","1.54178","CuKα","","0.1376","0.0954","","","0.2261","0.267","","","","","","1.116","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327141","10.405","0.0005","18.4032","0.0009","19.5021","0.0009","75.013","0.001","85.288","0.001","75.095","0.001","3485.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H124 Ba2 N8 -","- C68 H124 Ba2 N8 -","- C136 H248 Ba4 N16 -","2","1","","John A. T. Norman; Melanie Perez; M. S. Kim; Xinjian Lei; Sergei Ivanov; Agnes Derecskei-Kovacs; Laura Matz; Iain Buchanan; Arnold L. Rheingold","New Volatile Strontium and Barium Imidazolate Complexes for the Deposition of Group 2 Metal Oxides","Inorganic Chemistry","2011","50","","12396","12398","10.1021/ic201751q","","","0.71073","MoKα","","0.0333","0.0286","","","0.0727","0.076","","","","","","1.035","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327142","8.5676","0.0004","10.8811","0.0004","11.4797","0.0005","72.819","0.002","89.461","0.003","77.03","0.002","994.49","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Dichlorido(dimethyl sulfoxide)(4-formylphenoxyacetyl-hapto^6^-benzylamide) ruthenium(II)","","- C18 H22 Cl2 N O4.5 Ru S -","- C18 H21 Cl2 N O4.5 Ru S -","- C36 H42 Cl4 N2 O9 Ru2 S2 -","2","1","","Iryna N. Stepanenko; Angela Casini; Fabio Edafe; Maria S. Novak; Vladimir B. Arion; Paul J. Dyson; Michael A. Jakupec; Bernhard K. Keppler","Conjugation of Organoruthenium(II) 3-(1H-Benzimidazol-2-yl)pyrazolo[3,4-b]pyridines and Indolo[3,2-d]benzazepines to Recombinant Human Serum Albumin: a Strategy To Enhance Cytotoxicity in Cancer Cells","Inorganic Chemistry","2011","50","","12669","12679","10.1021/ic201801e","","","0.71073","MoKα","","0.059","0.0461","","","0.12","0.1264","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327143","8.5399","0.0004","10.2371","0.0006","18.5633","0.0011","90","","94.712","0.004","90","","1617.39","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(1H-benzimidazol-2-yl)-5-bromo-1H-pyrazolo[3,4-b]pyridine dimethyl sulfoxide","","- C15 H14 Br N5 O S -","- C15 H14 Br N5 O S -","- C60 H56 Br4 N20 O4 S4 -","4","1","","Iryna N. Stepanenko; Angela Casini; Fabio Edafe; Maria S. Novak; Vladimir B. Arion; Paul J. Dyson; Michael A. Jakupec; Bernhard K. Keppler","Conjugation of Organoruthenium(II) 3-(1H-Benzimidazol-2-yl)pyrazolo[3,4-b]pyridines and Indolo[3,2-d]benzazepines to Recombinant Human Serum Albumin: a Strategy To Enhance Cytotoxicity in Cancer Cells","Inorganic Chemistry","2011","50","","12669","12679","10.1021/ic201801e","","","0.71073","MoKα","","0.0792","0.0428","","","0.0894","0.0978","","","","","","0.965","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327144","7.8726","0.0006","11.1638","0.0009","13.0422","0.001","97.546","0.005","94.461","0.005","106.202","0.005","1083.29","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","{3-(1H-benzimidazol-kappaN-2-yl)-1H-pyrazolo-kappaN-[3,4-b]pyridine} dichloridobis(dimethyl sulfoxide)ruthenium(II) hydrate","","- C17 H23 Cl2 N5 O3 Ru S2 -","- C17 H23 Cl2 N5 O3 Ru S2 -","- C34 H46 Cl4 N10 O6 Ru2 S4 -","2","1","","Iryna N. Stepanenko; Angela Casini; Fabio Edafe; Maria S. Novak; Vladimir B. Arion; Paul J. Dyson; Michael A. Jakupec; Bernhard K. Keppler","Conjugation of Organoruthenium(II) 3-(1H-Benzimidazol-2-yl)pyrazolo[3,4-b]pyridines and Indolo[3,2-d]benzazepines to Recombinant Human Serum Albumin: a Strategy To Enhance Cytotoxicity in Cancer Cells","Inorganic Chemistry","2011","50","","12669","12679","10.1021/ic201801e","","","0.71073","MoKα","","0.0795","0.0519","","","0.1277","0.139","","","","","","1.005","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327145","11.8408","0.0009","12.9306","0.001","17.9286","0.0011","90","","108.707","0.004","90","","2600","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","{3-(1H-benzimidazol-kappaN-2-yl)-5-bromo-pyrazolo-kappaN-[3,4-b] pyridin-1-ide}chlorido-tris(dimethyl sufoxide)ruthenium(II) hydrate","","- C19 H27 Br Cl N5 O4 Ru S3 -","- C19 H27 Br Cl N5 O4 Ru S3 -","- C76 H108 Br4 Cl4 N20 O16 Ru4 S12 -","4","1","","Iryna N. Stepanenko; Angela Casini; Fabio Edafe; Maria S. Novak; Vladimir B. Arion; Paul J. Dyson; Michael A. Jakupec; Bernhard K. Keppler","Conjugation of Organoruthenium(II) 3-(1H-Benzimidazol-2-yl)pyrazolo[3,4-b]pyridines and Indolo[3,2-d]benzazepines to Recombinant Human Serum Albumin: a Strategy To Enhance Cytotoxicity in Cancer Cells","Inorganic Chemistry","2011","50","","12669","12679","10.1021/ic201801e","","","0.71073","MoKα","","0.0684","0.0355","","","0.0693","0.0817","","","","","","0.994","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327146","15.2333","0.0003","10.8726","0.0002","13.3242","0.0003","90","","91.468","0.0018","90","","2206.1","0.08","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- As7 Cu3 I3 P S7 -","- As7 Cu3 I3 P S7 -","- As28 Cu12 I12 P4 S28 -","4","1","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","Suppression of Realgar Cage Degradation during Complexation: Formation of Hybrid Coordination Polymers with As4S4, PAs3S3, and Cu(I) Halide Building Blocks","Inorganic Chemistry","2011","50","","12692","12696","10.1021/ic2018049","","x-ray","1.5418","CuKα","","0.0484","0.0412","","","0.1225","0.1248","","","","","","1.064","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327147","9.531","0.0002","13.2011","0.0003","13.5631","0.0003","90","","96.22","0.002","90","","1696.46","0.06","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- As7 Cl Cu P S7 -","- As7 Cl Cu P S7 -","- As28 Cl4 Cu4 P4 S28 -","4","1","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","Suppression of Realgar Cage Degradation during Complexation: Formation of Hybrid Coordination Polymers with As4S4, PAs3S3, and Cu(I) Halide Building Blocks","Inorganic Chemistry","2011","50","","12692","12696","10.1021/ic2018049","","x-ray","1.54184","CuKα","","0.0348","0.0307","","","0.0832","0.0855","","","","","","1.036","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327148","9.6304","0.0002","13.2951","0.0003","13.7378","0.0005","90","","96.578","0.003","90","","1747.37","0.08","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- As7 Br Cu P S7 -","- As7 Br Cu P S7 -","- As28 Br4 Cu4 P4 S28 -","4","1","","Patrick Schwarz; Joachim Wachter; Manfred Zabel","Suppression of Realgar Cage Degradation during Complexation: Formation of Hybrid Coordination Polymers with As4S4, PAs3S3, and Cu(I) Halide Building Blocks","Inorganic Chemistry","2011","50","","12692","12696","10.1021/ic2018049","","x-ray","1.54184","CuKα","","0.0302","0.0256","","","0.0666","0.0686","","","","","","0.999","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327149","13.43","0.003","14.799","0.003","21.553","0.004","87.39","0.03","74.19","0.03","77.21","0.03","4018.9","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H87 Cl2 Fe2 N15 O27 Y2 -","- C63 H87 Cl2 Fe2 N15 O27 Y2 -","- C126 H174 Cl4 Fe4 N30 O54 Y4 -","2","1","","Asamanjoy Bhunia; Yanhua Lan; Valeriu Mereacre; Michael T. Gamer; Annie K. Powell; Peter W. Roesky","Salen-Based Coordination Polymers of Iron and the Rare Earth Elements","Inorganic Chemistry","2011","50","","12697","12704","10.1021/ic2018264","","","0.71073","MoKα","","0.1756","0.0869","","","0.2002","0.2457","","","","","","0.93","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327150","13.616","0.003","14.823","0.003","21.566","0.004","87.36","0.03","74.43","0.03","76.62","0.03","4078.5","1.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H87 Cl2 Eu2 Fe2 N15 O27 -","- C63 H87 Cl2 Eu2 Fe2 N15 O27 -","- C126 H174 Cl4 Eu4 Fe4 N30 O54 -","2","1","","Asamanjoy Bhunia; Yanhua Lan; Valeriu Mereacre; Michael T. Gamer; Annie K. Powell; Peter W. Roesky","Salen-Based Coordination Polymers of Iron and the Rare Earth Elements","Inorganic Chemistry","2011","50","","12697","12704","10.1021/ic2018264","","","0.71073","MoKα","","0.0666","0.043","","","0.0987","0.1055","","","","","","0.932","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327151","13.614","0.003","14.83","0.003","21.566","0.004","87.37","0.03","74.37","0.03","76.58","0.03","4077.9","1.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H87 Cl2 Fe2 Gd2 N15 O27 -","- C63 H87 Cl2 Fe2 Gd2 N15 O27 -","- C126 H174 Cl4 Fe4 Gd4 N30 O54 -","2","1","","Asamanjoy Bhunia; Yanhua Lan; Valeriu Mereacre; Michael T. Gamer; Annie K. Powell; Peter W. Roesky","Salen-Based Coordination Polymers of Iron and the Rare Earth Elements","Inorganic Chemistry","2011","50","","12697","12704","10.1021/ic2018264","","","0.71073","MoKα","","0.0713","0.0505","","","0.1235","0.1321","","","","","","0.947","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327152","13.603","0.003","14.829","0.003","21.588","0.004","87.4","0.03","74.33","0.03","76.73","0.03","4080.3","1.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H87 Cl2 Fe2 N15 O27 Tb2 -","- C63 H87 Cl2 Fe2 N15 O27 Tb2 -","- C126 H174 Cl4 Fe4 N30 O54 Tb4 -","2","1","","Asamanjoy Bhunia; Yanhua Lan; Valeriu Mereacre; Michael T. Gamer; Annie K. Powell; Peter W. Roesky","Salen-Based Coordination Polymers of Iron and the Rare Earth Elements","Inorganic Chemistry","2011","50","","12697","12704","10.1021/ic2018264","","","0.71073","MoKα","","0.055","0.0401","","","0.1013","0.1059","","","","","","1.019","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327153","13.582","0.003","14.723","0.003","21.432","0.004","87.03","0.03","74.25","0.03","76.1","0.03","4003.6","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H87 Cl2 Dy2 Fe2 N15 O27 -","- C63 H87 Cl2 Dy2 Fe2 N15 O27 -","- C126 H174 Cl4 Dy4 Fe4 N30 O54 -","2","1","","Asamanjoy Bhunia; Yanhua Lan; Valeriu Mereacre; Michael T. Gamer; Annie K. Powell; Peter W. Roesky","Salen-Based Coordination Polymers of Iron and the Rare Earth Elements","Inorganic Chemistry","2011","50","","12697","12704","10.1021/ic2018264","","","0.71073","MoKα","","0.0804","0.0678","","","0.1694","0.1768","","","","","","0.999","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327154","7.4526","0.0014","14.722","0.003","7.7698","0.0014","90","","90","","90","","852.5","0.3","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La0.75 Si4 Y4.24 -","- La0.754 Si4 Y4.246 -","- La3.016 Si16 Y16.984 -","4","0.5","","Hui Wang; Fei Wang; Karah Jones; Gordon J. Miller","Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La5-xYxSi4 (0 <=x<= 5)","Inorganic Chemistry","2011","50","","12714","12723","10.1021/ic201840q","","","0.71073","MoKα","","0.0632","0.0365","","","0.0568","0.0642","","","","","","1.061","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327155","7.4262","0.0012","14.647","0.003","7.7337","0.0014","90","","90","","90","","841.2","0.3","273","2","273","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La0.48 Si4 Y4.52 -","- La0.484 Si4 Y4.516 -","- La1.936 Si16 Y18.064 -","4","0.5","","Hui Wang; Fei Wang; Karah Jones; Gordon J. Miller","Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La5-xYxSi4 (0 <=x<= 5)","Inorganic Chemistry","2011","50","","12714","12723","10.1021/ic201840q","","","0.71073","MoKα","","0.1044","0.0532","","","0.0827","0.0978","","","","","","1.019","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327156","7.808","0.0011","7.808","0.0011","14.396","0.003","90","","90","","90","","877.7","0.3","273","2","273","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- La1.85 Si4 Y3.15 -","- La1.856 Si4 Y3.144 -","- La7.424 Si16 Y12.576 -","4","0.5","","Hui Wang; Fei Wang; Karah Jones; Gordon J. Miller","Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La5-xYxSi4 (0 <=x<= 5)","Inorganic Chemistry","2011","50","","12714","12723","10.1021/ic201840q","","","0.71073","MoKα","","0.062","0.0408","","","0.0628","0.0684","","","","","","1.005","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327157","7.9727","0.0015","7.9727","0.0015","15.013","0.004","90","","90","","90","","954.3","0.4","298","2","298","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- La3.97 Si4 Y1.02 -","- La3.976 Si4 Y1.024 -","- La15.904 Si16 Y4.096 -","4","0.5","","Hui Wang; Fei Wang; Karah Jones; Gordon J. Miller","Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La5-xYxSi4 (0 <=x<= 5)","Inorganic Chemistry","2011","50","","12714","12723","10.1021/ic201840q","","","0.71073","MoKα","","0.06","0.04","","","0.0662","0.0709","","","","","","1.094","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327158","18.804","0.002","10.1968","0.0012","14.8753","0.0017","90","","92.448","0.003","90","","2849.6","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Coenox2-bpy-H2O","","","- C22 H28 Co2 N6 O17 -","- C22 H28 Co2 N6 O17 -","- C88 H112 Co8 N24 O68 -","4","1","","M. Jaya Prakash; Slavi C. Sevov","Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers","Inorganic Chemistry","2011","50","","12739","12746","10.1021/ic2018715","","","0.71073","MoKα","","0.0417","0.0315","","","0.0789","0.0851","","","","","","1.023","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327159","24.49","0.003","7.1666","0.0009","23.967","0.003","90","","109.581","0.003","90","","3963.2","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Coenox2-BPY-BP","","","- C34 H46 Co2 N6 O23 -","- C34 H46 Co2 N6 O23 -","- C136 H184 Co8 N24 O92 -","4","1","","M. Jaya Prakash; Slavi C. Sevov","Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers","Inorganic Chemistry","2011","50","","12739","12746","10.1021/ic2018715","","","0.71073","MoKα","","0.0876","0.0426","","","0.0938","0.111","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327160","6.9527","0.0005","11.1455","0.0008","13.9779","0.0009","94.164","0.001","103.116","0.001","96.828","0.001","1041.86","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Coenox2-BPY-MP","","","- C18 H23 Co N3 O11 -","- C18 H23 Co N3 O11 -","- C36 H46 Co2 N6 O22 -","2","1","","M. Jaya Prakash; Slavi C. Sevov","Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers","Inorganic Chemistry","2011","50","","12739","12746","10.1021/ic2018715","","","0.71073","MoKα","","0.0257","0.0236","","","0.0591","0.0605","","","","","","1.046","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327161","7.6147","0.0007","9.5563","0.0009","14.0275","0.0013","83.879","0.002","82.156","0.002","74.29","0.002","970.83","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Coenox2-BPY-DMB","","","- C17.5 H13 Co N3 O9 -","- C17.5 H13 Co N3 O9 -","- C35 H26 Co2 N6 O18 -","2","1","","M. Jaya Prakash; Slavi C. Sevov","Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers","Inorganic Chemistry","2011","50","","12739","12746","10.1021/ic2018715","","","0.71073","MoKα","","0.08","0.0606","","","0.1647","0.1802","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327162","7.6517","0.0017","9.726","0.002","13.855","0.003","84.74","0.004","83.334","0.004","73.42","0.004","979.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Coenox2-BPY-DMN","","","- C17 H12 Co N3 O10 -","- C17 H12 Co N3 O10 -","- C34 H24 Co2 N6 O20 -","2","1","","M. Jaya Prakash; Slavi C. Sevov","Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers","Inorganic Chemistry","2011","50","","12739","12746","10.1021/ic2018715","","","0.71073","MoKα","","0.0773","0.0677","","","0.187","0.1963","","","","","","1.061","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327163","6.7369","0.0006","11.7201","0.001","12.3229","0.0011","63.138","0.001","77.106","0.002","80.187","0.002","843.39","0.13","119","2","119","2","","","","","","","","5","P -1","-P 1","2","Coenox2-BPYE-H2O","","","- C12 H14 Co N3 O11 -","- C12 H14 Co N3 O11 -","- C24 H28 Co2 N6 O22 -","2","1","","M. Jaya Prakash; Slavi C. Sevov","Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers","Inorganic Chemistry","2011","50","","12739","12746","10.1021/ic2018715","","","0.71073","MoKα","","0.0414","0.0392","","","0.0982","0.0996","","","","","","1.078","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327164","6.9094","0.0006","13.4452","0.0012","13.4974","0.0013","96.748","0.002","92.489","0.002","101.009","0.002","1219.49","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Coenox2-BPYE-NA","","","- C19 H21 Co N4 O14 -","- C19 H21 Co N4 O14 -","- C38 H42 Co2 N8 O28 -","2","1","","M. Jaya Prakash; Slavi C. Sevov","Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers","Inorganic Chemistry","2011","50","","12739","12746","10.1021/ic2018715","","","0.71073","MoKα","","0.0708","0.0452","","","0.1088","0.1195","","","","","","1.072","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327165","12.003","0.002","13.933","0.003","19.372","0.004","90","","96.89","0.03","90","","3216.3","1.1","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","<i>bis</i>{η^5^-Pentamethylcyclopentadienyl- (μ-pyridine-2-thiolate-κ^2^ N,S)-ruthenium (III)} tetraphenylborate","","- C39 H39 B N Ru S -","- C39 H39 B N Ru S -","- C156 H156 B4 N4 Ru4 S4 -","4","1","","Manuel Jiménez-Tenorio; M. Carmen Puerta; Pedro Valerga","Facile O-H Bond Activation in Alcohols by [Cp*RuCl(iPr2PSX)] (X = Pyridyl, Quinolyl): a Route to Ruthenium(IV) Hydrido(alkoxo) Derivatives","Inorganic Chemistry","2011","50","","12399","12401","10.1021/ic201912b","","x-ray","0.71073","MoKα","","0.0704","0.06","","","0.1336","0.1393","","","","","","1.066","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327166","15.762","0.004","14.032","0.004","17.582","0.005","90","","113.187","0.004","90","","3574.5","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 Cl Mn3 N4 O16 -","- C24 H50 Cl Mn3 N4 O16 -","- C96 H200 Cl4 Mn12 N16 O64 -","4","1","","Arpita Saha; Khalil A. Abboud; George Christou","New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10","Inorganic Chemistry","2011","50","","12774","12784","10.1021/ic201916d","","","0.71073","MoKα","","0.045","0.0372","","","0.0979","0.1025","","","","","","1.033","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327167","26.757","0.002","10.7825","0.0009","15.793","0.0013","90","","91.931","0.002","90","","4553.8","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cl6 Mn5 N6 O10 -","- C32 H52 Cl6 Mn5 N6 O10 -","- C128 H208 Cl24 Mn20 N24 O40 -","4","0.5","","Arpita Saha; Khalil A. Abboud; George Christou","New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10","Inorganic Chemistry","2011","50","","12774","12784","10.1021/ic201916d","","","0.71073","MoKα","","0.0493","0.0419","","","0.1144","0.1187","","","","","","1.048","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327168","23.5084","0.0017","14.4661","0.0011","20.257","0.0015","90","","104.264","0.005","90","","6676.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H47 Mn3 N5 O11 -","- C25 H47 Mn3 N5 O11 -","- C200 H376 Mn24 N40 O88 -","8","1","","Arpita Saha; Khalil A. Abboud; George Christou","New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10","Inorganic Chemistry","2011","50","","12774","12784","10.1021/ic201916d","","","0.71073","MoKα","","0.1152","0.053","","","0.1124","0.1324","","","","","","0.822","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327169","12.682","0.002","12.716","0.002","14.595","0.003","90.132","0.004","96.501","0.003","115.491","0.003","2107.5","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H94 Mn10 N26 Na2 O28 -","- C50 H94 Mn10 N26 Na2 O28 -","- C50 H94 Mn10 N26 Na2 O28 -","1","0.5","","Arpita Saha; Khalil A. Abboud; George Christou","New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10","Inorganic Chemistry","2011","50","","12774","12784","10.1021/ic201916d","","","0.71073","MoKα","","0.0553","0.0417","","","0.1107","0.1168","","","","","","1.032","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4327170","13.058","0.003","16.551","0.003","22.339","0.005","82.451","0.004","82.488","0.007","66.784","0.007","4382","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H117.5 Mn10 N27.5 O25.5 -","- C58 H117.532 Mn10 N27.404 O25.532 -","- C116 H235.064 Mn20 N54.808 O51.064 -","2","1","","Arpita Saha; Khalil A. Abboud; George Christou","New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10","Inorganic Chemistry","2011","50","","12774","12784","10.1021/ic201916d","","","0.71073","MoKα","","0.0658","0.0403","","","0.0896","0.1021","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327171","5.6639","0.0004","18.2454","0.0012","19.7061","0.0013","90","","90","","90","","2036.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 S2 -","- C24 H20 N2 O2 S2 -","- C96 H80 N8 O8 S8 -","4","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.0451","0.0351","","","0.0836","0.0884","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327172","8.8245","0.0018","10.045","0.002","13.898","0.003","80.52","0.03","74.17","0.03","67.92","0.03","1095.6","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl N2 O2 P S2 -","- C24 H18 Cl N2 O2 P S2 -","- C48 H36 Cl2 N4 O4 P2 S4 -","2","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.0599","0.0411","","","0.1177","0.1416","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327173","8.7034","0.0004","13.3155","0.0006","19.8063","0.0009","90","","104.181","0.002","90","","2225.41","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 As Cl N2 O2 S2 -","- C24 H18 As Cl N2 O2 S2 -","- C96 H72 As4 Cl4 N8 O8 S8 -","4","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.0266","0.0223","","","0.0565","0.0583","","","","","","1.033","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327174","9.862","0.0004","14.3596","0.0006","17.3069","0.0007","66.669","0.002","89.298","0.002","86.426","0.002","2245.92","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl N2 O2 S2 Sb -","- C24 H18 Cl N2 O2 S2 Sb -","- C96 H72 Cl4 N8 O8 S8 Sb4 -","4","2","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.0281","0.0222","","","0.0577","0.0667","","","","","","1.119","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327175","10.27","0.002","11.016","0.002","12.46","0.003","90","","112.43","0.03","90","","1303","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H18 F3 N2 O5 P S3 -","- C25 H18 F3 N2 O5 P S3 -","- C50 H36 F6 N4 O10 P2 S6 -","2","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.1452","0.0632","","","0.1439","0.1962","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327176","10.342","0.002","10.994","0.002","12.477","0.003","90","","111.88","0.03","90","","1316.4","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H18 As F3 N2 O5 S3 -","- C25 H18 As F3 N2 O5 S3 -","- C50 H36 As2 F6 N4 O10 S6 -","2","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.0729","0.0501","","","0.1234","0.1428","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327177","9.1339","0.0005","11.8823","0.0007","16.8352","0.001","81.367","0.002","79.485","0.002","71.365","0.002","1694.01","0.17","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H29 Cl2 F3 N2 O5 P S3 Sb -","- C29 H29 Cl2 F3 N2 O5 P S3 Sb -","- C58 H58 Cl4 F6 N4 O10 P2 S6 Sb2 -","2","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.0501","0.0311","","","0.0604","0.0673","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327178","19.897","0.004","11.949","0.002","25.874","0.005","90","","98.91","0.03","90","","6077","2","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62 H49 Cl3 F3 N2 O5 P3 Pt S3 -","- C62 H49 Cl3 F3 N2 O5 P3 Pt S3 -","- C248 H196 Cl12 F12 N8 O20 P12 Pt4 S12 -","4","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.0646","0.0388","","","0.1009","0.1329","","","","","","1.063","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327179","11.5899","0.0008","13.2732","0.001","17.7278","0.0013","85.961","0.002","83.564","0.002","84.914","0.002","2694.3","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C61 H48 As F3 N2 O5 P2 Pt S3 -","- C61 H48 As F3 N2 O5 P2 Pt S3 -","- C122 H96 As2 F6 N4 O10 P4 Pt2 S6 -","2","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.1091","0.0498","","","0.0669","0.0798","","","","","","0.972","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327180","5.6831","0.0011","12.394","0.003","16.849","0.003","90","","90","","90","","1186.8","0.4","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Bi2 I4 O13 -","- Bi2 I4 O13 -","- Bi8 I16 O52 -","4","1","","Zhenbo Cao; Yinchao Yue; Jiyong Yao; Zheshuai Lin; Ran He; Zhanggui Hu","Bi2(IO4)(IO3)3: A New Potential Infrared Nonlinear Optical Material Containing [IO4]3- Anion","Inorganic Chemistry","2011","50","","12818","12822","10.1021/ic201991m","","x-ray","0.71073","MoKα","","0.0304","0.0258","","","0.0529","0.0546","","","","","","0.567","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327181","10.9527","0.0005","8.636","0.0004","16.0493","0.0006","90","","95.49","0.002","90","","1511.1","0.11","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H40 Cl2 N8 Ni O11 -","- C21 H40 Cl2 N8 Ni O11 -","- C42 H80 Cl4 N16 Ni2 O22 -","2","1","","Mingfeng Yu; Jason R. Price; Paul Jensen; Carrie J. Lovitt; Todd Shelper; Sandra Duffy; Louisa C. Windus; Vicky M. Avery; Peter J. Rutledge; Matthew H. Todd","Copper, Nickel, and Zinc Cyclam-Amino Acid and Cyclam-Peptide Complexes May Be Synthesized with ""Click"" Chemistry and Are Noncytotoxic","Inorganic Chemistry","2011","50","","12823","12835","10.1021/ic2020012","","","0.71069","MoKα","","0.0548","0.0407","","","0.1034","0.1145","","","","","","1.056","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327182","9.451","0.001","21.342","0.002","15.342","0.002","90","","95.237","0.001","90","","3081.6","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Cu F12 N8 O P2 -","- C22 H36 Cu F12 N8 O P2 -","- C88 H144 Cu4 F48 N32 O4 P8 -","4","1","","Mingfeng Yu; Jason R. Price; Paul Jensen; Carrie J. Lovitt; Todd Shelper; Sandra Duffy; Louisa C. Windus; Vicky M. Avery; Peter J. Rutledge; Matthew H. Todd","Copper, Nickel, and Zinc Cyclam-Amino Acid and Cyclam-Peptide Complexes May Be Synthesized with ""Click"" Chemistry and Are Noncytotoxic","Inorganic Chemistry","2011","50","","12823","12835","10.1021/ic2020012","","","0.71073","MoKα","","0.0608","0.0465","","","0.1196","0.1323","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327183","20.2684","0.0009","20.2432","0.0009","15.6451","0.0007","90","","90.478","0.003","90","","6418.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H21 Ag Cl3 F3 N4 -","- C38 H21 Ag Cl3 F3 N4 -","- C304 H168 Ag8 Cl24 F24 N32 -","8","1","","Kolle E. Thomas; Abraham B. Alemayehu; Jeanet Conradie; Christine Beavers; Abhik Ghosh","Synthesis and Molecular Structure of Gold Triarylcorroles","Inorganic Chemistry","2011","50","","12844","12851","10.1021/ic202023r","","","0.7749","synchrotron","","0.0709","0.0516","","","0.1319","0.1437","","","","","","1.029","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327184","21.0234","0.0017","19.9239","0.0016","15.85","0.0013","90","","91.42","0.001","90","","6637","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H27 Au F3 N4 -","- C40 H27 Au F3 N4 -","- C320 H216 Au8 F24 N32 -","8","1","","Kolle E. Thomas; Abraham B. Alemayehu; Jeanet Conradie; Christine Beavers; Abhik Ghosh","Synthesis and Molecular Structure of Gold Triarylcorroles","Inorganic Chemistry","2011","50","","12844","12851","10.1021/ic202023r","","","0.7749","synchrotron","","0.0354","0.0311","","","0.0918","0.0955","","","","","","1.03","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327185","17.696","0.007","5.806","0.002","11.419","0.004","90","","90","","90","","1173.2","0.7","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ga2 Ge La2 S8 -","- Ga2 Ge La2 S8 -","- Ga8 Ge4 La8 S32 -","4","0.5","","Mei-Chun Chen; Peng Li; Liu-Jiang Zhou; Long-Hua Li; Ling Chen","Structure Change Induced by Terminal Sulfur in Noncentrosymmetric La2Ga2GeS8 and Eu2Ga2GeS7 and Nonlinear-Optical Responses in Middle Infrared","Inorganic Chemistry","2011","50","","12402","12404","10.1021/ic2020513","","","0.71073","MoKα","","0.0233","0.0213","","","0.0506","0.0805","","","","","","1.042","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327186","9.6376","0.0006","9.6376","0.0006","6.3085","0.0007","90","","90","","90","","585.95","0.08","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Eu2 Ga2 Ge S7 -","- Eu2 Ga2 Ge S7 -","- Eu4 Ga4 Ge2 S14 -","2","0.25","","Mei-Chun Chen; Peng Li; Liu-Jiang Zhou; Long-Hua Li; Ling Chen","Structure Change Induced by Terminal Sulfur in Noncentrosymmetric La2Ga2GeS8 and Eu2Ga2GeS7 and Nonlinear-Optical Responses in Middle Infrared","Inorganic Chemistry","2011","50","","12402","12404","10.1021/ic2020513","","","0.71073","MoKα","","0.0372","0.0356","","","0.0703","0.0716","","","","","","1.056","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327187","12.6138","0.0004","13.9393","0.0004","16.8356","0.0005","82.597","0.002","73.703","0.003","63.213","0.003","2536.32","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H88 Mn6 O110 W19 Zn3 -","- Mn6 O110 W19 Zn3 -","- Mn6 O110 W19 Zn3 -","1","0.5","","Lian-Xu Shi; Wen-Feng Zhao; Xuan Xu; Jing Tang; Chuan-De Wu","From 1D to 3D Single-Crystal-to-Single-Crystal Structural Transformations Based on Linear Polyanion [Mn4(H2O)18WZnMn2(H2O)2(ZnW9O34)2]4-","Inorganic Chemistry","2011","50","","12387","12389","10.1021/ic2020572","","","0.71073","MoKα","","0.1009","0.0896","","","0.2254","0.2328","","","","","","1.338","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327188","11.889","0.0011","12.2712","0.0008","16.2733","0.0014","77.537","0.007","87.576","0.007","69.196","0.007","2165.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Co2 H68 Mn6 O102 W19 Zn3 -","- Co2 Mn6 O102 W19 Zn3 -","- Co2 Mn6 O102 W19 Zn3 -","1","0.5","","Lian-Xu Shi; Wen-Feng Zhao; Xuan Xu; Jing Tang; Chuan-De Wu","From 1D to 3D Single-Crystal-to-Single-Crystal Structural Transformations Based on Linear Polyanion [Mn4(H2O)18WZnMn2(H2O)2(ZnW9O34)2]4-","Inorganic Chemistry","2011","50","","12387","12389","10.1021/ic2020572","","","1.54178","CuKα","","0.0865","0.0673","","","0.1643","0.1833","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327189","11.9163","0.0014","12.2608","0.0012","16.2768","0.0015","77.604","0.008","87.472","0.008","69.13","0.01","2168.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 H68 Mn6 O102 W19 Zn3 -","- Cu2 Mn6 O102 W19 Zn3 -","- Cu2 Mn6 O102 W19 Zn3 -","1","0.5","","Lian-Xu Shi; Wen-Feng Zhao; Xuan Xu; Jing Tang; Chuan-De Wu","From 1D to 3D Single-Crystal-to-Single-Crystal Structural Transformations Based on Linear Polyanion [Mn4(H2O)18WZnMn2(H2O)2(ZnW9O34)2]4-","Inorganic Chemistry","2011","50","","12387","12389","10.1021/ic2020572","","","1.54178","CuKα","","0.1643","0.1271","","","0.2747","0.2978","","","","","","1.357","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327190","10.8857","0.0003","4.7378","0.0001","19.6051","0.0005","90","","92.726","0.002","90","","1009.97","0.04","100","2","100","2","","","","","","","Alex Whyte","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cu N2 O4 -","- C22 H28 Cu N2 O4 -","- C44 H56 Cu2 N4 O8 -","2","0.5","","Alexander M. Whyte; Benjamin Roach; David K. Henderson; Peter A. Tasker; Michio M. Matsushita; Kunio Awaga; Fraser J. White; Patricia Richardson; Neil Robertson","Structural, Magnetic, and Electronic Properties of Phenolic Oxime Complexes of Cu and Ni","Inorganic Chemistry","2011","50","","12867","12876","10.1021/ic2020644","","","0.71073","MoKα","","0.0477","0.0385","","","0.1017","0.1077","","","","","","1.028","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327191","10.8277","0.0005","4.6891","0.0002","19.8063","0.001","90","","92.13","0.002","90","","1004.91","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 Ni O4 -","- C22 H28 N2 Ni O4 -","- C44 H56 N4 Ni2 O8 -","2","0.5","","Alexander M. Whyte; Benjamin Roach; David K. Henderson; Peter A. Tasker; Michio M. Matsushita; Kunio Awaga; Fraser J. White; Patricia Richardson; Neil Robertson","Structural, Magnetic, and Electronic Properties of Phenolic Oxime Complexes of Cu and Ni","Inorganic Chemistry","2011","50","","12867","12876","10.1021/ic2020644","","","0.71073","MoKα","","0.0283","0.0254","","0.0754","0.0707","0.0754","","","","","","0.9742","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327192","8.042","0.0004","12.851","0.0008","17.672","0.001","99.417","0.004","97.842","0.003","104.953","0.003","1709.88","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H54 Cu N2 O5 S -","- C34 H54 Cu N2 O5 S -","- C68 H108 Cu2 N4 O10 S2 -","2","1","","Alexander M. Whyte; Benjamin Roach; David K. Henderson; Peter A. Tasker; Michio M. Matsushita; Kunio Awaga; Fraser J. White; Patricia Richardson; Neil Robertson","Structural, Magnetic, and Electronic Properties of Phenolic Oxime Complexes of Cu and Ni","Inorganic Chemistry","2011","50","","12867","12876","10.1021/ic2020644","","x-ray","0.71073","MoKα","","0.0849","0.0539","","0.1636","0.1325","0.1636","","","","","","1.0029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327193","21.7524","0.0005","9.95251","0.00018","14.7187","0.0003","90","","107.396","0.002","90","","3040.72","0.11","100","","100","","","","100","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N2 Ni O4 -","- C32 H48 N2 Ni O4 -","- C128 H192 N8 Ni4 O16 -","4","0.5","","Alexander M. Whyte; Benjamin Roach; David K. Henderson; Peter A. Tasker; Michio M. Matsushita; Kunio Awaga; Fraser J. White; Patricia Richardson; Neil Robertson","Structural, Magnetic, and Electronic Properties of Phenolic Oxime Complexes of Cu and Ni","Inorganic Chemistry","2011","50","","12867","12876","10.1021/ic2020644","","","0.71073","MoKα","","0.0433","0.0374","","0.1056","0.1034","0.1056","","","","","","0.9812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327194","6.1722","0.0002","13.2067","0.0004","18.4654","0.0004","90","","99.182","0.001","90","","1485.91","0.07","100","2","100","2","","","","","","","Alex Whyte","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cu N2 O4 -","- C32 H48 Cu N2 O4 -","- C64 H96 Cu2 N4 O8 -","2","0.5","","Alexander M. Whyte; Benjamin Roach; David K. Henderson; Peter A. Tasker; Michio M. Matsushita; Kunio Awaga; Fraser J. White; Patricia Richardson; Neil Robertson","Structural, Magnetic, and Electronic Properties of Phenolic Oxime Complexes of Cu and Ni","Inorganic Chemistry","2011","50","","12867","12876","10.1021/ic2020644","","","0.71073","MoKα","","0.0328","0.0299","","","0.0819","0.0841","","","","","","1.058","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327195","6.8978","0.0002","13.1462","0.0007","23.8569","0.0016","90","","90","","90","","2163.3","0.2","298","2","298","2","","","","","","","","8","I b a 2","I 2 -2c","45","","","","- C8 H10 Br2 Cl4 N4 Ni O2 Re -","- C8 H6 Br2 Cl4 N4 Ni O2 Re -","- C32 H24 Br8 Cl16 N16 Ni4 O8 Re4 -","4","0.5","","José Martínez-Lillo; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus","First Magnetostructural Study on a Heterodinuclear 2,2'-Bipyrimidine-Bridged Complex","Inorganic Chemistry","2011","50","","12405","12407","10.1021/ic202088s","","","0.71073","MoKα","","0.1068","0.0973","","","0.2992","0.3162","","","","","","1.515","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327196","13.188","0.003","14.913","0.003","18.002","0.003","100.778","0.003","108.108","0.003","106.802","0.003","3068.8","1.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H64 N8 O3 P4 Ti -","- C68 H48 N8 O3 P4 Ti -","- C136 H96 N16 O6 P8 Ti2 -","2","1","","Wenjun Zheng; Ibon Alkorta; Dongming Yang; Li Wan; Mingang Zhao; José Elguero","Synthesis and Structural Characterization of 1,2,4-Diazaphospholide Complexes of Titanium(IV) and Titanium(III)","Inorganic Chemistry","2011","50","","12408","12410","10.1021/ic2021066","","","0.7107","MoKα","","0.1658","0.1015","","","0.2324","0.2751","","","","","","1.126","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327197","10.321","0.005","12.592","0.006","16.792","0.008","77.521","0.007","76.365","0.008","70.433","0.007","1975.8","1.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H54 N6 P3 Ti -","- C30 H54 N6 P3 Ti -","- C60 H108 N12 P6 Ti2 -","2","1","","Wenjun Zheng; Ibon Alkorta; Dongming Yang; Li Wan; Mingang Zhao; José Elguero","Synthesis and Structural Characterization of 1,2,4-Diazaphospholide Complexes of Titanium(IV) and Titanium(III)","Inorganic Chemistry","2011","50","","12408","12410","10.1021/ic2021066","","","0.71073","MoKα","","0.1511","0.0992","","","0.211","0.2402","","","","","","1.094","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327198","11.5743","0.0006","17.6392","0.001","16.0109","0.0009","90","","100.99","0.001","90","","3208.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 B N2 -","- C40 H41 B N2 -","- C160 H164 B4 N8 -","4","1","","Leïla Boubekeur-Lecaque; Benjamin J. Coe; James A. Harris; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Stijn Foerier; Thierry Verbiest","Incorporation of Amphiphilic Ruthenium(II) Ammine Complexes into Langmuir-Blodgett Thin Films with Switchable Quadratic Nonlinear Optical Behavior","Inorganic Chemistry","2011","50","","12886","12899","10.1021/ic202145b","","","0.71073","MoKα","","0.0497","0.0365","","","0.0937","0.0972","","","","","","1.037","","","","has coordinates,has disorder","179374","2020-10-21","18:00:00",""
"4327199","11.615","0.0002","14.631","0.0002","22.587","0.0006","90","","91.255","0.0007","90","","3837.49","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 F3 N2 O3 S -","- C17 H21 F3 N2 O3 S -","- C136 H168 F24 N16 O24 S8 -","8","2","","Leïla Boubekeur-Lecaque; Benjamin J. Coe; James A. Harris; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Stijn Foerier; Thierry Verbiest","Incorporation of Amphiphilic Ruthenium(II) Ammine Complexes into Langmuir-Blodgett Thin Films with Switchable Quadratic Nonlinear Optical Behavior","Inorganic Chemistry","2011","50","","12886","12899","10.1021/ic202145b","","","0.71073","MoKα","","0.1309","0.0835","","","0.2236","0.2842","","","","","","1.009","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327200","9.55","0.003","13.767","0.005","31.619","0.01","89.948","0.004","84.223","0.004","89.51","0.003","4136","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H270 Cl12 N28 O15 Ru4 -","- C128 H240 Cl12 N28 O15 Ru4 -","- C128 H240 Cl12 N28 O15 Ru4 -","1","0.5","","Leïla Boubekeur-Lecaque; Benjamin J. Coe; James A. Harris; Madeleine Helliwell; Inge Asselberghs; Koen Clays; Stijn Foerier; Thierry Verbiest","Incorporation of Amphiphilic Ruthenium(II) Ammine Complexes into Langmuir-Blodgett Thin Films with Switchable Quadratic Nonlinear Optical Behavior","Inorganic Chemistry","2011","50","","12886","12899","10.1021/ic202145b","","","0.671","synchrotron","","0.1374","0.0814","","","0.1861","0.2111","","","","","","1.023","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327201","22.3106","0.0002","22.3106","0.0002","43.183","0.0005","90","","90","","120","","18615.1","0.3","153","","153","","","","","","","","","6","R 3 :H","R 3","146","","","","- C144 Al6 N9 O117 Si3 W30 -","- C143.88 Al6 N9 O117 Si3 W30 -","- C431.64 Al18 N27 O351 Si9 W90 -","3","0.333333","","Yuji Kikukawa; Kazuya Yamaguchi; Mitsuhiro Hibino; Noritaka Mizuno","Layered Assemblies of a Dialuminum-Substituted Silicotungstate Trimer and the Reversible Interlayer Cation-Exchange Properties","Inorganic Chemistry","2011","50","","12411","12413","10.1021/ic2022648","","x-ray","0.71069","MoKα","","","0.0481","","","","0.1435","","","","","","1.062","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327202","22.3183","0.0002","22.3183","0.0002","13.2925","0.0001","90","","90","","120","","5734.02","0.08","153","","153","","","","","","","","","6","P 3","P 3","143","","","","- C48 Al6 N3 O117 Si3 W30 -","- C48 Al6 N3 O117 Si3 W30 -","- C48 Al6 N3 O117 Si3 W30 -","1","0.333333","","Yuji Kikukawa; Kazuya Yamaguchi; Mitsuhiro Hibino; Noritaka Mizuno","Layered Assemblies of a Dialuminum-Substituted Silicotungstate Trimer and the Reversible Interlayer Cation-Exchange Properties","Inorganic Chemistry","2011","50","","12411","12413","10.1021/ic2022648","","x-ray","0.71069","MoKα","","","0.0743","","","","0.2038","","","","","","1.086","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4500013","27.3388","0.001","7.1786","0.0003","19.9614","0.0007","90","","120.433","0.001","90","","3377.8","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C128 H128 N96 -","16","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0415","0.0408","","","0.0986","0.099","","","","","","1.092","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500014","8.4261","0.0006","10.1297","0.0007","12.2194","0.001","75.928","0.004","87.136","0.004","70.451","0.004","952.79","0.13","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C17 H20 N12 O -","- C17 H20 N12 O -","- C34 H40 N24 O2 -","2","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0523","0.0453","","","0.1339","0.1387","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500015","12.063","0.004","19.226","0.005","7.016","0.002","90","","95.029","0.002","90","","1620.9","0.8","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C64 H64 N48 -","8","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0518","0.0516","","","0.1202","0.1203","","","","","","1.096","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500016","6.8585","0.0002","13.2958","0.0004","18.505","0.0005","90","","90","","90","","1687.46","0.08","150","","150","","","","","","","","Synthesized by the authors. See text","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C64 H64 N48 -","8","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0338","0.0307","","","0.0808","0.0835","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500017","11.9471","0.0009","6.9732","0.0006","21.0822","0.0018","90","","101.59","0.004","90","","1720.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C64 H64 N48 -","8","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0538","0.0514","","","0.1569","0.1586","","","","","","1.078","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500018","11.7704","0.0001","9.0941","0.0001","11.8294","0.0001","90","","97.16","0.001","90","","1256.36","0.02","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N6 O S -","- C10 H14 N6 O S -","- C40 H56 N24 O4 S4 -","4","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0371","0.036","","","0.0992","0.0963","","","","","","1.046","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500019","9.5053","0.0005","14.2146","0.0007","19.4909","0.0009","98.831","0.002","94.263","0.002","104.765","0.002","2498.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C14 H12 N6 -","- C14 H12 N6 -","- C112 H96 N48 -","8","4","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.1026","0.0721","","","0.1876","0.205","","","","","","1.029","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500020","16.915","0.0007","8.6926","0.0004","17.8433","0.0007","90","","109.956","0.002","90","","2466.06","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N6 -","- C14 H12 N6 -","- C112 H96 N48 -","8","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0391","0.0383","","","0.1104","0.1113","","","","","","1.032","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500021","9.31","0.001","9.719","0.001","15.859","0.002","96.589","0.002","99.854","0.002","111.024","0.003","1295.3","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C56 H56 N24 O4 -","4","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0372","0.0371","","","0.088","0.0881","","","","","","1.087","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500022","7.2112","0.0002","49.9305","0.0013","11.9101","0.0003","90","","103.679","0.001","90","","4166.7","0.19","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C168 H192 N72 O24 -","12","3","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.075","0.0549","","","0.135","0.147","","","","","","1.04","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500023","7.0142","0.0002","18.5089","0.0004","18.5309","0.0004","90","","90","","90","","2405.78","0.1","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N6 -","- C14 H12 N6 -","- C112 H96 N48 -","8","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0322","0.0314","","","0.0845","0.0855","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500024","10.5537","0.0008","7.544","0.0006","18.6318","0.0014","90","","115.3","0.004","90","","1341.13","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H22 Ag Cl N14 O4 -","- C20 H22 Ag Cl N14 O4 -","- C40 H44 Ag2 Cl2 N28 O8 -","2","0.5","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0658","0.0652","","","0.1555","0.1558","","","","","","1.099","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500025","9.0902","0.0006","6.8526","0.0004","12.999","0.0008","90","","103.304","0.003","90","","788","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N7 -","- C7 H7 N7 -","- C28 H28 N28 -","4","1","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0423","0.0359","","","0.1021","0.1178","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500026","7.7","0.0004","16.4473","0.0009","15.7512","0.0008","90","","93.649","0.003","90","","1990.75","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Ag Cl N14 O4 -","- C14 H14 Ag Cl N14 O4 -","- C56 H56 Ag4 Cl4 N56 O16 -","4","1","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0324","0.0293","","","0.0808","0.0846","","","","","","1.083","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500027","7.8","0.0002","7.8","0.0002","13.6369","0.0003","90","","90","","90","","829.67","0.04","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 43 21 2","P 4nw 2abw","96","","","","- C7 H7 N7 -","- C7 H7 N7 -","- C28 H28 N28 -","4","0.5","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0274","0.0274","","","0.0735","0.0735","","","","","","1.071","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500028","7.3464","0.0003","15.6714","0.0005","16.961","0.0006","90","","91.854","0.002","90","","1951.67","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Ag B F4 N14 -","- C14 H14 Ag B F4 N14 -","- C56 H56 Ag4 B4 F16 N56 -","4","2","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0253","0.025","","","0.0635","0.0641","","","","","","1.028","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500029","8.5605","0.0005","11.7582","0.0006","11.9111","0.0007","90","","103.195","0.002","90","","1167.27","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Ag Cl N7 O4 -","- C7 H7 Ag Cl N7 O4 -","- C28 H28 Ag4 Cl4 N28 O16 -","4","1","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0358","0.0357","","","0.0978","0.0979","","","","","","1.034","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500030","11.6531","0.0003","14.1616","0.0003","12.6255","0.0003","90","","93.576","0.001","90","","2079.49","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ag Cl N12 O4 -","- C16 H16 Ag Cl N12 O4 -","- C64 H64 Ag4 Cl4 N48 O16 -","4","1","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0459","0.0402","","","0.1071","0.1122","","","","","","1.028","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500084","13.0092","0.0008","11.8179","0.0004","17.1152","0.0009","90","","108.824","0.0019","90","","2490.6","0.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 B N7 O2 -","- C32 H16 B N7 O2 -","- C128 H64 B4 N28 O8 -","4","1","","Morse, Graham E.; Castrucci, Jeffery S.; Helander, Michael G.; Lu, Zheng-Hong; Bender, Timothy P.","Phthalimido-boronsubphthalocyanines: new derivatives of boronsubphthalocyanine with bipolar electrochemistry and functionality in OLEDs.","ACS applied materials & interfaces","2011","3","9","3538","3544","10.1021/am200758w","","","0.71073","MoKα","","0.1536","0.0623","","","0.1371","0.1768","","","","","","0.999","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500085","17.325","0.0006","8.147","0.0003","20.9925","0.0007","90","","100.815","0.002","90","","2910.39","0.18","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H17 B Cl3 N7 O2 -","- C33 H17 B Cl3 N7 O2 -","- C132 H68 B4 Cl12 N28 O8 -","4","1","","Morse, Graham E.; Castrucci, Jeffery S.; Helander, Michael G.; Lu, Zheng-Hong; Bender, Timothy P.","Phthalimido-boronsubphthalocyanines: new derivatives of boronsubphthalocyanine with bipolar electrochemistry and functionality in OLEDs.","ACS applied materials & interfaces","2011","3","9","3538","3544","10.1021/am200758w","","","0.71073","MoKα","","0.097","0.0574","","","0.1458","0.1744","","","","","","1.031","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500086","11.8635","0.0006","13.2132","0.0008","18.4565","0.001","90","","108.523","0.003","90","","2743.3","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H12 B Cl4 N7 O2 -","- C32 H12 B Cl4 N7 O2 -","- C128 H48 B4 Cl16 N28 O8 -","4","1","","Morse, Graham E.; Castrucci, Jeffery S.; Helander, Michael G.; Lu, Zheng-Hong; Bender, Timothy P.","Phthalimido-boronsubphthalocyanines: new derivatives of boronsubphthalocyanine with bipolar electrochemistry and functionality in OLEDs.","ACS applied materials & interfaces","2011","3","9","3538","3544","10.1021/am200758w","","","0.71073","MoKα","","0.1344","0.0639","","","0.1538","0.1903","","","","","","1.039","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500087","11.859","0.003","12.047","0.004","16.767","0.005","70.009","0.004","74.84","0.004","68.7","0.004","2071.4","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cl N O5 -","- C21 H28 Cl N O5 -","- C84 H112 Cl4 N4 O20 -","4","2","","Day, James E. H.; Sharp, Swee Y.; Rowlands, Martin G.; Aherne, Wynne; Hayes, Angela; Raynaud, Florence I.; Lewis, William; Roe, S. Mark; Prodromou, Chrisostomos; Pearl, Laurence H.; Workman, Paul; Moody, Christopher J.","Targeting the Hsp90 molecular chaperone with novel macrolactams. Synthesis, structural, binding, and cellular studies.","ACS chemical biology","2011","6","12","1339","1347","10.1021/cb200196e","","","0.71073","MoKα","","0.1475","0.1297","","","0.3166","0.3317","","","","","","1.127","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500088","14.572","0.004","5.3275","0.0016","19.39","0.005","90","","99.986","0.007","90","","1482.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 N4 O6 S2 -","- C11 H12 N4 O6 S2 -","- C44 H48 N16 O24 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1843","0.053","","","0.0622","0.0823","","","","","","0.731","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500089","28.535","0.003","7.8893","0.0009","15.4803","0.0017","90","","104.618","0.002","90","","3372.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl8 Cu2 N4 S4 -","- C22 H24 Cl8 Cu2 N4 S4 -","- C88 H96 Cl32 Cu8 N16 S16 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.072","0.0367","","","0.0815","0.0985","","","","","","1.017","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500090","8.2421","0.0008","25.079","0.002","13.4368","0.0012","90","","97.209","0.002","90","","2755.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 Cl3 Cu N4 S4 -","- C22 H21 Cl3 Cu N4 S4 -","- C88 H84 Cl12 Cu4 N16 S16 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1048","0.0396","","","0.0604","0.0697","","","","","","0.83","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500091","10.458","0.0016","14.53","0.002","18.41","0.003","90","","92.112","0.003","90","","2795.6","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl4 Cu N4 O0 S4 -","- C22 H22 Cl4 Cu N4 S4 -","- C88 H88 Cl16 Cu4 N16 S16 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1748","0.054","","","0.1187","0.1723","","","","","","0.976","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500092","17.659","0.004","13.109","0.003","12.019","0.002","90","","122.62","0.03","90","","2343.4","1.2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Cl2 Cu N4 O2 S2 -","- C17 H24 Cl2 Cu N4 O2 S2 -","- C68 H96 Cl8 Cu4 N16 O8 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1129","0.0658","","","0.13","0.1452","","","","","","1.084","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500093","18.746","0.002","11.9969","0.0015","11.619","0.0016","90","","121.424","0.002","90","","2229.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl2 Cu N2 S2 -","- C11 H10 Cl2 Cu N2 S2 -","- C44 H40 Cl8 Cu4 N8 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1469","0.0634","","","0.1441","0.1592","","","","","","0.765","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500094","7.9828","0.0004","10.9899","0.0008","14.7699","0.0011","68.585","0.003","87.3","0.004","79.219","0.004","1184.7","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(isonicotinamide).(nicotinamide)","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","4","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0542","0.0366","","","0.086","0.095","","","","","","1.021","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500095","6.9843","0.0002","15.8948","0.0005","16.2722","0.0005","110.079","0.002","99.792","0.002","95.324","0.002","1649.48","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(isonicotinamide).(clofibric acid)","","- C16 H17 Cl N2 O4 -","- C16 H17 Cl N2 O4 -","- C64 H68 Cl4 N8 O16 -","4","2","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0389","0.0324","","","0.0847","0.0896","","","","","","1.02","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500096","7.4641","0.0003","8.8223","0.0002","14.8006","0.0006","89.144","0.002","87.628","0.002","82.788","0.002","966.04","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(isonicotinamide).(diclofenac)","","- C20 H17 Cl2 N3 O3 -","- C20 H17 Cl2 N3 O3 -","- C40 H34 Cl4 N6 O6 -","2","1","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0548","0.0456","","","0.12","0.1281","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500097","7.418","0.002","10.774","0.003","16.608","0.005","90","","92.686","0.007","90","","1325.9","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(isonicotinamide) hydrate Form I","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C48 H64 N16 O16 -","8","2","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0414","0.0362","","","0.1136","0.1226","","","","","","1.119","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500098","19.0991","0.0017","7.4858","0.0007","22.7304","0.0015","90","","123.792","0.005","90","","2700.8","0.4","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(isonicotinamide) hydrate Form II","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C96 H128 N32 O32 -","16","8","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0632","0.035","","","0.0916","0.1108","","","","","","1.033","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500099","9.733","0.003","5.7183","0.0017","10.359","0.003","90","","93.193","0.004","90","","575.6","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O4 S2 Zn -","- C8 H12 N2 O4 S2 Zn -","- C16 H24 N4 O8 S4 Zn2 -","2","1","","Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan","Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2011","11","1","93","","10.1021/cg1009175","","","0.71073","MoKα","","0.0506","0.039","","","0.0887","0.0979","","","","","","0.867","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500100","21.746","0.004","8.954","0.0018","6.159","0.0012","90","","90","","90","","1199.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd N2 O4 S2 -","- C8 H12 Cd N2 O4 S2 -","- C32 H48 Cd4 N8 O16 S8 -","4","1","","Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan","Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2011","11","1","93","","10.1021/cg1009175","","","0.71073","MoKα","","0.036","0.0316","","","0.0672","0.0699","","","","","","1.007","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500101","5.897","0.006","10.146","0.011","10.077","0.01","90","","90.165","0.006","90","","602.9","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 Ni O4 S2 -","- C8 H12 N2 Ni O4 S2 -","- C16 H24 N4 Ni2 O8 S4 -","2","1","","Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan","Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2011","11","1","93","","10.1021/cg1009175","","","0.71073","MoKα","","0.1743","0.0646","","","0.106","0.1346","","","","","","0.997","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500102","22.2229","0.0011","16.1021","0.0008","26.9252","0.0014","90","","90.062","0.001","90","","9634.8","0.8","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C94 H80 N2 S15 Zn8 -","- C94 H80 N2 S15 Zn8 -","- C376 H320 N8 S60 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.0654","0.0543","","","0.1367","0.1455","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500103","20.663","0.003","16.514","0.002","31.871","0.004","90","","106.104","0.002","90","","10449","2","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C106 H88 N2 S17 Zn8 -","- C106 H88 N2 S17 Zn8 -","- C424 H352 N8 S68 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.0949","0.0832","","","0.1741","0.1804","","","","","","1.178","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500104","60.797","0.016","19.604","0.005","18.548","0.005","90","","102.58","0.005","90","","21576","10","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C106 H88 N2 S17 Zn8 -","- C106 H83 N2 S17 Zn8 -","- C848 H664 N16 S136 Zn64 -","8","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.1144","0.0968","","","0.1835","0.1911","","","","","","1.266","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500105","26.183","0.012","12.963","0.006","28.952","0.013","90","","91.984","0.009","90","","9821","8","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H78 I2 N2 S15 Zn8 -","- C94 H78 I2 N2 S15 Zn8 -","- C376 H312 I8 N8 S60 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.1176","0.0683","","","0.1513","0.1677","","","","","","1.05","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500106","25.9261","0.0014","13.2222","0.0007","31.9549","0.0016","90","","101.894","0.001","90","","10719","1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H96 N2 S15 Zn8 -","- C102 H96 N2 S15 Zn8 -","- C408 H384 N8 S60 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.1022","0.0481","","","0.0839","0.0951","","","","","","1.06","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500107","13.4355","0.0013","27.915","0.003","55.873","0.005","90","","91.919","0.002","90","","20944","4","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H88 N2 S15 Zn8 -","- C110 H88 N2 S15 Zn8 -","- C880 H704 N16 S120 Zn64 -","8","2","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.2064","0.1143","","","0.2402","0.2695","","","","","","0.973","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500108","8.6109","0.0006","9.0319","0.0006","9.9523","0.0007","84.481","0.002","83.279","0.002","74.652","0.002","739.56","0.09","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","catena-{L-histidinium-κO-(μ~3~hydrogenphosphato)(μ~4~phosphato)- dizinc(II)} hydrate","","- C6 H13 N3 O11 P2 Zn2 -","- C6 H13 N3 O11 P2 Zn2 -","- C12 H26 N6 O22 P4 Zn4 -","2","1","","Mekhatria, Djilali; Rigolet, Séverinne; Janiak, Christoph; Simon-Masseron, Angélique; Hasnaoui, Mohammed Abdelkrim; Bengueddach, Abdelkader","A New Inorganic−Organic Hybrid Zinc Phosphate Prepared withl-Histidine with an Unusual Stability in Water","Crystal Growth & Design","2011","11","2","396","","10.1021/cg100952q","","","0.71073","MoKα","","0.0364","0.033","","","0.0665","0.0679","","","","","","1.089","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500109","10.1155","0.0009","21.3388","0.0018","27.37","0.002","90","","90","","90","","5907.9","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H60 Cd2 N8 O8 -","- C66 H60 Cd2 N8 O8 -","- C264 H240 Cd8 N32 O32 -","4","1","","Farnum, Gregory A.; Pochodylo, Amy L.; LaDuca, Robert L.","Tether Length Control of Topology in Cadmium 4-Methylphthalate Two-Dimensional Coordination Polymers: An Acentric Buckled Grid and a Rare Self-Catenated Layer","Crystal Growth & Design","2011","11","3","678","","10.1021/cg100972s","","","0.71073","MoKα","","0.0325","0.0281","","","0.0664","0.0688","","","","","","1.042","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500110","22.0525","0.0017","23.1373","0.0018","10.1729","0.0008","90","","90","","90","","5190.6","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H54 Cd2 N6 O8 -","- C57 H54 Cd2 N6 O8 -","- C228 H216 Cd8 N24 O32 -","4","0.5","","Farnum, Gregory A.; Pochodylo, Amy L.; LaDuca, Robert L.","Tether Length Control of Topology in Cadmium 4-Methylphthalate Two-Dimensional Coordination Polymers: An Acentric Buckled Grid and a Rare Self-Catenated Layer","Crystal Growth & Design","2011","11","3","678","","10.1021/cg100972s","","","0.71073","MoKα","","0.0571","0.0405","","","0.0912","0.1001","","","","","","1.061","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500111","13.5715","0.0017","13.5715","0.0017","8.7125","0.0012","90","","90","","120","","1389.7","0.3","213","2","213","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","","","- C15 H36 Cu3 Mo N7 O4 S3 -","- C15 H36 Cu3 Mo N7 O4 S3 -","- C30 H72 Cu6 Mo2 N14 O8 S6 -","2","0.166667","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Zhou, Yimeng; Cao, Yuan; Li, Jianghua; Zhao, Huajian; Hu, Jingchun; Wu, Jinhua; Humphrey, Mark G.; Zhang, Chi","Syntheses, Structural, Theoretical, and Nonlinear Optical Studies of Non-Interpenetrating Three-Dimensional Nest-Shaped-Cluster [MoOS3Cu3]-Based Coordination Polymers","Crystal Growth & Design","2011","11","1","100","","10.1021/cg1009779","","","0.7107","MoKα","","0.0292","0.0291","","","0.0785","0.0785","","","","","","1.117","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500112","27.543","0.004","13.7619","0.0018","17.35","0.002","90","","99.34","0.004","90","","6489.2","1.5","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H50 Cu6 Mo2 N14 O4 S6 -","- C43 H32 Cu6 Mo2 N11 O2 S6 -","- C172 H128 Cu24 Mo8 N44 O8 S24 -","4","0.5","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Zhou, Yimeng; Cao, Yuan; Li, Jianghua; Zhao, Huajian; Hu, Jingchun; Wu, Jinhua; Humphrey, Mark G.; Zhang, Chi","Syntheses, Structural, Theoretical, and Nonlinear Optical Studies of Non-Interpenetrating Three-Dimensional Nest-Shaped-Cluster [MoOS3Cu3]-Based Coordination Polymers","Crystal Growth & Design","2011","11","1","100","","10.1021/cg1009779","","","0.7107","MoKα","","0.0939","0.076","","","0.1536","0.1623","","","","","","1.226","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500113","27.55","0.005","13.281","0.003","20.356","0.004","90","","97.03","0.03","90","","7392","3","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 Cu6 Mo2 N14 O4 S6 -","- C51 Cu6 Mo2 N11 O2 S6 -","- C204 Cu24 Mo8 N44 O8 S24 -","4","0.5","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Zhou, Yimeng; Cao, Yuan; Li, Jianghua; Zhao, Huajian; Hu, Jingchun; Wu, Jinhua; Humphrey, Mark G.; Zhang, Chi","Syntheses, Structural, Theoretical, and Nonlinear Optical Studies of Non-Interpenetrating Three-Dimensional Nest-Shaped-Cluster [MoOS3Cu3]-Based Coordination Polymers","Crystal Growth & Design","2011","11","1","100","","10.1021/cg1009779","","","0.71073","MoKα","","0.0807","0.0653","","","0.14","0.1488","","","","","","1.148","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500114","7.943","0.002","23.633","0.006","4.8675","0.0012","90","","104.864","0.006","90","","883.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C32 H36 N12 O12 -","4","1","","Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw","Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide","Crystal Growth & Design","2011","11","6","2074","","10.1021/cg100989t","","","0.71073","MoKα","","0.0374","0.0316","","","0.0791","0.083","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500115","7.962","0.003","24.157","0.009","4.8805","0.0018","90","","104.597","0.009","90","","908.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C32 H36 N12 O12 -","4","1","","Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw","Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide","Crystal Growth & Design","2011","11","6","2074","","10.1021/cg100989t","","","0.71073","MoKα","","0.0507","0.0361","","","0.0884","0.0976","","","","","","1.032","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500116","12.7022","0.0011","3.8175","0.0002","17.3647","0.0016","90","","91.632","0.007","90","","841.68","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C32 H36 N12 O12 -","4","1","","Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw","Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide","Crystal Growth & Design","2011","11","6","2074","","10.1021/cg100989t","","","0.71073","MoKα","","0.0623","0.0448","","","0.1545","0.1597","","","","","","1.176","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500117","22.6561","0.0014","11.7274","0.0007","7.3264","0.0004","90","","102.933","0.005","90","","1897.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C64 H88 N24 O32 -","8","1","","Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw","Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide","Crystal Growth & Design","2011","11","6","2074","","10.1021/cg100989t","","","0.71073","MoKα","","0.0521","0.0319","","","0.0737","0.0773","","","","","","0.877","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500118","9.1295","0.0002","18.6869","0.0005","9.7902","0.0002","90","","90","","90","","1670.23","0.07","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","picric acid","","- C6 H3 N3 O7 -","- C6 H3 N3 O7 -","- C48 H24 N24 O56 -","8","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0526","0.0401","","","0.0899","0.0963","","","","","","1.026","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500119","13.5569","0.0003","20.4528","0.0005","9.4315","0.0002","90","","110.883","0.0012","90","","2443.34","0.1","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","acetamidinium picrate","","- C8 H9 N5 O7 -","- C8 H9 N5 O7 -","- C64 H72 N40 O56 -","8","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0737","0.0543","","","0.1556","0.1708","","","","","","1.063","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500120","5.9114","0.0001","13.7255","0.0004","20.7588","0.0007","90","","90","","90","","1684.31","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-phenylpyridinium picrate","","- C17 H12 N4 O7 -","- C17 H12 N4 O7 -","- C68 H48 N16 O28 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0615","0.0415","","","0.0989","0.1093","","","","","","1.043","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500121","8.2179","0.0001","13.5852","0.0003","11.8314","0.0002","90","","102.024","0.0009","90","","1291.9","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-aminopyridinium picrate","","- C11 H9 N5 O7 -","- C11 H9 N5 O7 -","- C44 H36 N20 O28 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0716","0.0569","","","0.1611","0.1741","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500122","8.5133","0.0002","11.3464","0.0002","14.3375","0.0003","90","","104.199","0.0008","90","","1342.62","0.05","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminopyridinium picrate","","- C11 H9 N5 O7 -","- C11 H9 N5 O7 -","- C44 H36 N20 O28 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0605","0.0427","","","0.1098","0.1197","","","","","","1.03","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500123","5.9086","0.0002","8.043","0.0003","13.868","0.0007","88.8722","0.0016","81.3468","0.0014","89.619","0.003","651.41","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-aminopyrimidinium picrate","","- C10 H8 N6 O7 -","- C10 H8 N6 O7 -","- C20 H16 N12 O14 -","2","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0732","0.0466","","","0.1215","0.1392","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500124","7.4694","0.0004","8.0532","0.0004","13.7314","0.0008","81.205","0.002","78.66","0.002","90.01","0.003","799.94","0.08","295","","295","","","","","","","","","4","P 1","P 1","1","","8-aminoquinolinium picrate","","- C15 H11 N5 O7 -","- C15 H11 N5 O7 -","- C30 H22 N10 O14 -","2","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0917","0.0886","","","0.2379","0.2427","","","","","","1.039","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500125","7.5976","0.0001","27.1229","0.0005","8.2111","0.0001","90","","110.502","0.0009","90","","1584.88","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-dimethyl-3,4-dihydropyrimidinium picrate hydrate","","- C12 H13 N5 O9 -","- C12 H13 N5 O9 -","- C48 H52 N20 O36 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0676","0.0479","","","0.1271","0.1397","","","","","","1.065","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500126","11.2042","0.0003","8.3035","0.0002","15.9837","0.0004","90","","90.1988","0.001","90","","1487.02","0.07","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-oxo-3,4-dihydroquinazolium picrate","","- C14 H9 N5 O8 -","- C14 H9 N5 O8 -","- C56 H36 N20 O32 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0748","0.0537","","","0.1406","0.158","","","","","","1.028","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500127","8.1074","0.0002","13.306","0.0003","24.6747","0.0007","90","","96.6479","0.0008","90","","2643.94","0.12","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-5-methyl-1H-pyrazol-2-ium picrate","","- C10 H9 N5 O8 -","- C10 H9 N5 O8 -","- C80 H72 N40 O64 -","8","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.1158","0.0746","","","0.1978","0.2263","","","","","","1.057","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500128","12.3573","0.0003","3.7312","0.0001","27.6064","0.0007","90","","93.0759","0.0009","90","","1271.03","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-hydroxypyridinium picrate","","- C11 H8 N4 O8 -","- C11 H8 N4 O8 -","- C44 H32 N16 O32 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0679","0.0452","","","0.1158","0.1283","","","","","","1.034","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500129","7.3174","0.0002","15.2404","0.0004","12.6802","0.0004","90","","96.9655","0.001","90","","1403.66","0.07","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-hydroxy-6-methylpyridinium picrate","","- C12 H10 N4 O8 -","- C12 H10 N4 O8 -","- C48 H40 N16 O32 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0967","0.084","","","0.23","0.2433","","","","","","1.106","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500130","11.0933","0.0005","11.2083","0.0006","11.6431","0.0007","93.833","0.002","102.105","0.002","98.328","0.003","1393.46","0.13","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-4-methylpyridinium picrate","","- C12 H10 N4 O8 -","- C12 H10 N4 O8 -","- C48 H40 N16 O32 -","4","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.1373","0.0835","","","0.2125","0.2646","","","","","","1.029","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500131","10.5264","0.0003","5.1071","0.0001","37.6367","0.0014","90","","90.169","0.001","90","","2023.32","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-hydroxy-4-methylpyridinium picrate, 4-methylpyridin-2(1H)-one","","- C18 H17 N5 O9 -","- C18 H17 N5 O9 -","- C72 H68 N20 O36 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.1411","0.0463","","","0.0808","0.1032","","","","","","0.903","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500132","15.214","0.0004","8.2542","0.0002","23.416","0.0007","90","","97.4066","0.001","90","","2916.03","0.14","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-nitropyridine-N-oxide, picric acid","","- C11 H7 N5 O10 -","- C11 H7 N5 O10 -","- C88 H56 N40 O80 -","8","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0689","0.0427","","","0.1029","0.1188","","","","","","1.051","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500133","14.2726","0.0004","8.647","0.0003","21.3133","0.0008","90","","95.9812","0.0014","90","","2616.07","0.15","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C120 H128 N16 O16 -","8","2","","Long, Sihui; Siegler, Maxime A.; Mattei, Alessandra; Li, Tonglei","Phase Transition from TwoZ′ = 1 Forms to aZ′ = 2 Form of a Concomitant Conformational Polymorphic System","Crystal Growth & Design","2011","11","2","414","","10.1021/cg101009g","","","0.71073","MoKα","","0.1147","0.0536","","","0.1243","0.1524","","","","","","0.951","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500134","7.5301","0.0002","7.5301","0.0002","20.6215","0.001","90","","90","","120","","1012.63","0.06","90","0.2","90","0.2","","","","","","","","4","P 32","P 32","145","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C45 H48 N6 O6 -","3","1","","Long, Sihui; Siegler, Maxime A.; Mattei, Alessandra; Li, Tonglei","Phase Transition from TwoZ′ = 1 Forms to aZ′ = 2 Form of a Concomitant Conformational Polymorphic System","Crystal Growth & Design","2011","11","2","414","","10.1021/cg101009g","","","0.71073","MoKα","","0.1048","0.051","","","0.1128","0.136","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500135","9.2035","0.0003","14.083","0.0004","10.6939","0.0004","90","","100.741","0.0012","90","","1361.78","0.08","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Long, Sihui; Siegler, Maxime A.; Mattei, Alessandra; Li, Tonglei","Phase Transition from TwoZ′ = 1 Forms to aZ′ = 2 Form of a Concomitant Conformational Polymorphic System","Crystal Growth & Design","2011","11","2","414","","10.1021/cg101009g","","","0.71073","MoKα","","0.0884","0.051","","","0.1211","0.1386","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500136","20.027","0.004","12.024","0.002","22.675","0.005","90","","107.23","0.03","90","","5215","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Anhydrous Lithium Acetate","Anhydrous Lithium Acetate","","- C30 H45 Li15 O30 -","- C30 H45 Li15 O30 -","- C120 H180 Li60 O120 -","4","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7379","Synchrotron","","0.0372","0.0354","","","0.0961","0.0977","","","","","","1.023","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500137","20.424","0.004","12.081","0.002","22.735","0.005","90","","107.92","0.03","90","","5338","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Anhydrous Lithium Acetate","Anhydrous Lithium Acetate","","- C30 H45 Li15 O30 -","- C30 H45 Li15 O30 -","- C120 H180 Li60 O120 -","4","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7379","Synchrotron","","0.0557","0.0504","","","0.1415","0.1471","","","","","","1.051","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500138","23.488","0.005","27.709","0.006","29.963","0.006","99.59","0.03","91.8","0.03","106.93","0.03","18329","8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Anhydrous Lithium Acetate","Anhydrous Lithium Acetate","","- C216 H324 Li108 O216 -","- C216 H324 Li108 O216 -","- C432 H648 Li216 O432 -","2","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.9803","Synchrotron","","0.0877","0.0749","","","0.2071","0.2231","","","","","","1.01","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500139","7.689","0.0015","11.959","0.002","13.881","0.003","72.28","0.03","88.93","0.03","89.08","0.03","1215.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","hepta-lithium acetate trihydrate","Lithium acetate hydrate (0.429)","","- C14 H26 Li7 O17 -","- C14 H26 Li7 O17 -","- C28 H52 Li14 O34 -","2","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7293","Synchrotron","","0.0391","0.0383","","","0.1083","0.1094","","","","","","0.918","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500140","7.087","0.0014","14.514","0.003","15.298","0.003","90","","99.8","0.03","90","","1550.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium acetate monohydrate","Lithium acetate monohydrate","","- C8 H20 Li4 O12 -","- C8 H20 Li4 O12 -","- C32 H80 Li16 O48 -","4","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7293","Synchrotron","","0.048","0.0449","","","0.1233","0.1282","","","","","","0.996","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500141","6.734","0.0013","10.885","0.002","6.565","0.0013","90","","90","","90","","481.21","0.16","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","Lithium acetate dihydrate","Lithium acetate dihydrate","","- C2 H7 Li O4 -","- C2 H7.08 Li O4 -","- C8 H28.32 Li4 O16 -","4","0.25","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7293","Synchrotron","","0.0356","0.0354","","","0.079","0.0792","","","","","","1.112","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500142","8.8195","0.0011","5.0838","0.0006","11.78","0.0015","90","","109.4","0.001","90","","498.19","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H4 Cu N3 S -","- C3 H4 Cu N3 S -","- C12 H16 Cu4 N12 S4 -","4","1","","Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei","Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","1","130","","10.1021/cg101018b","","","0.71073","MoKα","","0.035","0.033","","","0.091","0.093","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500143","5.871","0.003","13.107","0.006","10.051","0.005","90","","96.792","0.008","90","","768","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Cu I N3 S -","- C3 H5 Cu I N3 S -","- C12 H20 Cu4 I4 N12 S4 -","4","1","","Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei","Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","1","130","","10.1021/cg101018b","","","0.71073","MoKα","","0.0695","0.0525","","","0.1284","0.1908","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500144","15.6513","0.0015","16.1222","0.0015","16.0671","0.0015","90","","90","","90","","4054.3","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cu6 I4 N6 S2 -","- C6 H8 Cu6 I4 N6 S2 -","- C48 H64 Cu48 I32 N48 S16 -","8","1","","Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei","Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","1","130","","10.1021/cg101018b","","","0.71073","MoKα","","0.0607","0.038","","","0.0805","0.0899","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500145","7.1138","0.0007","11.0894","0.0011","11.8195","0.0012","104.967","0.001","92.262","0.001","100.764","0.001","881.15","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 Cu I N9 S3 -","- C9 H13 Cu I N9 S3 -","- C18 H26 Cu2 I2 N18 S6 -","2","1","","Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei","Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","1","130","","10.1021/cg101018b","","","0.71073","MoKα","","0.0699","0.0409","","","0.0792","0.0901","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500146","10.9375","0.0014","6.7299","0.0009","18.584","0.002","90","","90","","90","","1367.9","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Ca N O6 -","- C11 H11 Ca N O6 -","- C44 H44 Ca4 N4 O24 -","4","0.5","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.097","0.0666","","","0.1898","0.2037","","","","","","1.044","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500147","6.9707","0.0002","17.9921","0.0007","10.008","0.0004","90","","90","","90","","1255.18","0.08","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H12 Ca N2 O5 -","- C11 H12 Ca N2 O5 -","- C44 H48 Ca4 N8 O20 -","4","0.5","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0591","0.0466","","","0.1328","0.141","","","","","","1.058","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500148","16.614","0.002","13.1785","0.0017","15.63","0.002","90","","91.528","0.003","90","","3420.9","0.7","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H30 Ca3 N2 O19 -","- C24 H30 Ca3 N2 O19 -","- C96 H120 Ca12 N8 O76 -","4","1","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0666","0.0635","","","0.1707","0.1725","","","","","","1.194","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500149","8.3328","0.0004","8.6794","0.0004","9.9393","0.0005","70.52","0.002","84.459","0.003","73.722","0.002","650.53","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Ca N O7 -","- C11 H11 Ca N O7 -","- C22 H22 Ca2 N2 O14 -","2","1","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0703","0.057","","","0.1607","0.1755","","","","","","1.079","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500150","17.9698","0.0006","10.2569","0.0003","9.665","0.0003","90","","95.204","0.002","90","","1774.06","0.1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Ca N2 O8 -","- C14 H18 Ca N2 O8 -","- C56 H72 Ca4 N8 O32 -","4","0.5","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0678","0.0641","","","0.1889","0.1946","","","","","","1.051","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500151","6.0146","0.0002","7.6214","0.0003","11.0855","0.0005","104.367","0.002","93.316","0.002","91.769","0.002","490.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 Ca O8 -","- C8 H8 Ca O8 -","- C16 H16 Ca2 O16 -","2","1","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0261","0.025","","","0.0716","0.0726","","","","","","1.099","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500152","20.5194","0.0019","8.6326","0.0008","17.3333","0.0016","90","","115.009","0.001","90","","2782.5","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br2 N2 O11 Zn2 -","- C26 H20 Br2 N2 O11 Zn2 -","- C104 H80 Br8 N8 O44 Zn8 -","4","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.0304","0.0261","","","0.0607","0.0629","","","","","","1.036","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500153","14.3379","0.0015","18.9193","0.0019","16.5885","0.0017","90","","100.739","0.001","90","","4421","0.8","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Br Cd N2 O5 -","- C21 H19 Br Cd N2 O5 -","- C168 H152 Br8 Cd8 N16 O40 -","8","1","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.0655","0.0355","","","0.0673","0.078","","","","","","1.002","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500154","10.0154","0.0016","14.546","0.002","9.2314","0.0015","90","","97.496","0.002","90","","1333.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br2 N2 O9 Zn2 -","- C26 H16 Br2 N2 O9 Zn2 -","- C52 H32 Br4 N4 O18 Zn4 -","2","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.05","0.0406","","","0.1053","0.1116","","","","","","1.038","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500155","10.997","0.006","14.578","0.008","12.963","0.007","90","","105.993","0.006","90","","1997.7","1.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br N2 O5 Zn -","- C20 H17 Br N2 O5 Zn -","- C80 H68 Br4 N8 O20 Zn4 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.0458","0.0309","","","0.0698","0.0749","","","","","","1.045","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500156","10.173","0.002","17.211","0.003","11.681","0.002","90","","99.371","0.002","90","","2017.9","0.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br Cd N2 O4 -","- C21 H17 Br Cd N2 O4 -","- C84 H68 Br4 Cd4 N8 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.0829","0.0566","","","0.1532","0.1728","","","","","","1.105","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500157","4.092","0.0004","4.092","0.0004","9.91","0.001","90","","90","","90","","165.94","0.03","198","2","198","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ce Cu2 Si2 -","- Ce Cu2 Si2 -","- Ce2 Cu4 Si4 -","2","0.0625","","Cao, Chongde; Deppe, Micha; Behr, Günter; Löser, Wolfgang; Wizent, Nadja; Kataeva, Olga; Büchner, Bernd","Single Crystal Growth of the CeCu2Si2Intermetallic Compound by a Vertical Floating Zone Method","Crystal Growth & Design","2011","11","2","431","","10.1021/cg101128w","","","0.71073","MoKα","","0.0199","0.0194","","","0.0479","0.0481","","","","","","1.292","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500158","23.1978","0.0004","5.5469","0.0001","5.198","0.0001","90","","92.215","0.001","90","","668.36","0.02","","","298","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","beta resoryclic acid form I","2,4-hidyroxybenzoic acid form I","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","powder diffraction","","","","","","","","","","","","","2.877","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500159","7.027","0.0004","9.5449","0.0004","11.1763","0.0005","96.684","0.004","104.319","0.005","98.903","0.004","708.15","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","beta resoryclic acid hemihydrate","2,4-hidyroxybenzoic acid hemihydrate","","- C14 H14 O9 -","- C14 H14 O9 -","- C28 H28 O18 -","2","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","","","0.71073","MoKα","","0.0527","0.0382","","","0.0941","0.0996","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500160","11.7363","0.0004","8.5691","0.0002","11.831","0.0004","90","","115.973","0.005","90","","1069.67","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","beta resoryclate pyridinium salt","2,4-dihydroxybenzoate pyridinium salt","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","","","0.71073","MoKα","","0.0436","0.0337","","","0.0839","0.0874","","","","","","1.033","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500161","6.39832","0.00012","11.7099","0.0003","23.2362","0.0005","90","","90","","90","","1740.94","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","beta resoryclic DMSO hemisolvate","2,4-hidyroxybenzoic acid DMSO hemisolvate","","- C16 H18 O9 S -","- C16 H18 O9 S -","- C64 H72 O36 S4 -","4","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","","","0.71073","MoKα","","0.0431","0.0367","","","0.0863","0.0887","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500162","5.0643","0.0002","8.3299","0.0003","7.4469","0.0003","90","","107.585","0.002","90","","299.47","0.02","120","","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Lithium hydrogen L-tartrate","","","- C4 H5 Li O6 -","- C4 H5 Li O6 -","- C8 H10 Li2 O12 -","2","1","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.71073","MoKα","","0.0356","0.0326","","","0.0683","0.0704","","","","","","1.109","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500163","5.0445","0.0003","14.93","0.0012","16.1053","0.0012","90","","90","","90","","1212.96","0.15","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dilithium L-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C32 H32 Li16 O48 -","8","2","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","1.5418","CuKα","","0.0517","0.0402","","","0.1005","0.1049","","","","","","0.946","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500164","5.58","0.0006","9.1055","0.0006","12.018","0.0011","90","","90","","90","","610.62","0.1","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Dilithium L-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","0.5","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.71073","MoKα","","0.0644","0.0462","","","0.1193","0.1337","","","","","","0.916","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500165","6.0522","0.0009","5.3351","0.0008","9.8636","0.0014","90","","100.474","0.009","90","","313.18","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dilithium meso-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C8 H8 Li4 O12 -","2","0.5","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.71073","MoKα","","0.1059","0.081","","","0.1736","0.1906","","","","","","1.014","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500166","15.988","0.01","5.0193","0.0014","15.02","0.008","90","","101.5","0.05","90","","1181.1","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Dilithium D,L-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C32 H32 Li16 O48 -","8","1","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.7709","synchrotron","","0.093","0.0673","","","0.1886","0.2069","","","","","","1.062","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500167","27.042","0.004","15.42","0.003","8.98","0.0015","90","","104.943","0.003","90","","3617.9","1.1","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H31 Cd N9 O11 -","- C27 H31 Cd N9 O11 -","- C108 H124 Cd4 N36 O44 -","4","1","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0718","0.0571","","","0.1154","0.1178","","","","","","1.068","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500168","16.0155","0.001","16.0155","0.001","26.675","0.003","90","","90","","120","","5925.4","0.8","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H66 Cl2 Co N14 O12 -","- C54 H66 Cl2 Co N14 O11.9998 -","- C162 H198 Cl6 Co3 N42 O35.9994 -","3","0.166667","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0713","0.0529","","","0.1162","0.1203","","","","","","1.056","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500169","9.731","0.002","18.145","0.005","18.588","0.005","90","","96.984","0.005","90","","3257.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Co N7 O7 -","- C35 H29 Co N7 O7 -","- C140 H116 Co4 N28 O28 -","4","1","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0652","0.0504","","","0.1327","0.1398","","","","","","1.001","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500170","18.1535","0.0012","18.3033","0.0014","25.2354","0.0019","90","","90","","90","","8384.9","1.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C140 H122 Cd4 N28 O31 -","- C140 H122 Cd4 N28 O31 -","- C280 H244 Cd8 N56 O62 -","2","0.5","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0713","0.054","","","0.1019","0.1054","","","","","","1.005","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500171","10.198","0.004","12.33","0.005","19.818","0.008","81.068","0.006","86.281","0.006","84.809","0.007","2448.4","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","CoMo8-DMF","","","- C18 H57 Cl Co Mo8 N10 O32 -","- C18 H57 Cl Co Mo8 N10 O32 -","- C36 H114 Cl2 Co2 Mo16 N20 O64 -","2","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.0413","0.0335","","","0.0944","0.1231","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500172","14.395","0.003","19.836","0.004","28.009","0.005","90","","90","","90","","7998","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CoMo12P-DEF","","","- C36 H90 Co Mo12 N12 O46 P -","- C36 H90 Co Mo12 N12 O46 P -","- C144 H360 Co4 Mo48 N48 O184 P4 -","4","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.0886","0.0604","","","0.1041","0.1125","","","","","","0.944","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500173","12.1","0.002","23.4858","0.0013","24.259","0.003","83.935","0.003","79.012","0.003","86.859","0.003","6725.4","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","CoMo12P-DMF","","","- C45 H112 Co2 Mo24 N23 O91 P2 -","- C45 H112 Co2 Mo24 N23 O91 P2 -","- C90 H224 Co4 Mo48 N46 O182 P4 -","2","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.079","0.0704","","","0.1696","0.1746","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500174","14.538","0.003","19.929","0.004","28.151","0.006","90","","90","","90","","8156","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CoW12P-DEF","","","- C31 H24 Co N12 O46 P W12 -","- C31 H24 Co N12 O46 P W12 -","- C124 H96 Co4 N48 O184 P4 W48 -","4","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.1062","0.0907","","","0.2071","0.2201","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500175","15.55","0.003","19.059","0.003","23.026","0.004","90","","97.121","0.003","90","","6772","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CoW12P-DMF","","","- C24 H66 Co N12 O46 P W12 -","- C24 H66 Co N12 O46 P W12 -","- C96 H264 Co4 N48 O184 P4 W48 -","4","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.1127","0.0984","","","0.2309","0.2423","","","","","","1.185","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500176","14.0765","0.0011","41.183","0.003","22.7696","0.0018","90","","93.713","0.001","90","","13172.1","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","CoW12Si-DEF","","","- C98 H232 Co4 N38 O139 Si3 W36 -","- C98 H232 Co4 N38 O139 Si3 W36 -","- C196 H464 Co8 N76 O278 Si6 W72 -","2","0.5","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.0964","0.0804","","","0.1893","0.1987","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500177","13.1948","0.0011","20.9672","0.0018","29.02","0.003","93.34","0.001","95.474","0.001","97.373","0.002","7905.7","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","CoW12Si-DMF","","","- C54 H156 Cl Co3 N30 O95 Si2 W24 -","- C54 H156 Cl Co3 N30 O95 Si2 W24 -","- C108 H312 Cl2 Co6 N60 O190 Si4 W48 -","2","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.0933","0.0782","","","0.2046","0.2179","","","","","","1.027","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500178","7.5822","0.0012","25.215","0.006","10.554","0.003","90","","105.878","0.008","90","","1940.8","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dihydrocarbamazepine saccharin","","","- C22 H19 N3 O4 S -","- C22 H19 N3 O4 S -","- C88 H76 N12 O16 S4 -","4","1","","Oliveira, Mark A.; Peterson, Matthew L.; Davey, Roger J.","Relative Enthalpy of Formation for Co-Crystals of Small Organic Molecules","Crystal Growth & Design","2011","11","2","449","","10.1021/cg101214m","","x-ray","0.71073","MoKα","","0.0524","0.0426","","","0.1385","0.15","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500179","7.7883","0.0003","24.709","0.0009","10.5827","0.0004","90","","106.951","0.002","90","","1948.07","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyheptamide saccharin","","","- C23 H20 N2 O4 S -","- C23 H20 N2 O4 S -","- C92 H80 N8 O16 S4 -","4","1","","Oliveira, Mark A.; Peterson, Matthew L.; Davey, Roger J.","Relative Enthalpy of Formation for Co-Crystals of Small Organic Molecules","Crystal Growth & Design","2011","11","2","449","","10.1021/cg101214m","","x-ray","0.71073","MoKα","","0.0486","0.0399","","","0.1251","0.1339","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500180","28.057","0.006","30.504","0.006","23.961","0.005","90","","90","","90","","20507","7","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H48 N7 O65 P2 W18 -","- C24 H48 N7 O65.02 P2 W18 -","- C192 H384 N56 O520.16 P16 W144 -","8","1","","Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo","Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions","Crystal Growth & Design","2011","11","2","458","","10.1021/cg101224r","","","0.71073","MoKα","","0.1986","0.0816","","","0.164","0.2062","","","","","","0.957","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500181","14.661","0.003","26.008","0.005","25.117","0.007","90","","122.75","0.02","90","","8055","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Cu N14 O62 P2 W18 -","- C35 H49 Cu N14 O62 P2 W18 -","- C140 H196 Cu4 N56 O248 P8 W72 -","4","1","","Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo","Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions","Crystal Growth & Design","2011","11","2","458","","10.1021/cg101224r","","","0.71073","MoKα","","0.0674","0.0488","","","0.087","0.0941","","","","","","1.046","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500182","18.54","0.004","13.302","0.003","43.6","0.012","90","","113.68","0.03","90","","9847","5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H108 Cu5 N32 O130 P4 W36 -","- C76 H108 Cu5 N32 O130 P4 W36 -","- C152 H216 Cu10 N64 O260 P8 W72 -","2","0.5","","Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo","Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions","Crystal Growth & Design","2011","11","2","458","","10.1021/cg101224r","","","0.71073","MoKα","","0.1376","0.0873","","","0.1598","0.1822","","","","","","1.055","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500183","13.042","0.003","14.212","0.003","28.03","0.006","96.1","0.03","90.76","0.03","117.09","0.03","4588","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 Cu N16 O62 P2 W18 -","- C29 H30 Cu N16 O62 P2 W18 -","- C58 H60 Cu2 N32 O124 P4 W36 -","2","1","","Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo","Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions","Crystal Growth & Design","2011","11","2","458","","10.1021/cg101224r","","","0.71073","MoKα","","0.107","0.0645","","","0.1661","0.1816","","","","","","0.86","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500184","12.5852","0.0006","8.8884","0.0004","17.8848","0.0006","90","","124.586","0.002","90","","1647.07","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Zheng, Sai-Li; Chen, Jia-Mei; Zhang, Wei-Xiong; Lu, Tong-Bu","Structures of Polymorphic Agomelatine and Its Cocrystals with Acetic Acid and Ethylene Glycol","Crystal Growth & Design","2011","11","2","466","","10.1021/cg101234p","","","0.71073","MoKα","","0.0592","0.0403","","","0.1293","0.1569","","","","","","1.164","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500185","15.43","0.0012","9.2934","0.0007","20.8558","0.0013","90","","115.241","0.004","90","","2705.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","2","","Zheng, Sai-Li; Chen, Jia-Mei; Zhang, Wei-Xiong; Lu, Tong-Bu","Structures of Polymorphic Agomelatine and Its Cocrystals with Acetic Acid and Ethylene Glycol","Crystal Growth & Design","2011","11","2","466","","10.1021/cg101234p","","","0.71073","MoKα","","0.1061","0.0714","","","0.1988","0.2273","","","","","","1.036","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500186","12.751","0.0019","8.482","0.0017","11.579","0.0012","90","","99.45","0.019","90","","1235.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C48 H40 N8 O16 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.71073","MoKα","","0.072","0.0389","","","0.0881","0.1031","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500187","5.7526","0.0011","15.465","0.003","30.087","0.006","90","","90","","90","","2676.7","0.9","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N3 O4 S -","- C12 H11 N3 O4 S -","- C96 H88 N24 O32 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.7107","MoKα","","","0.0543","","","","0.0692","","","","","","1.149","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500188","26.764","0.006","24.756","0.005","8.0027","0.0017","90","","100.543","0.004","90","","5212.8","1.9","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C208 H176 N48 O32 S16 -","16","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.7107","MoKα","","","0.0626","","","","0.067","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500189","8.8551","0.0019","8.8551","0.0019","30.282","0.007","90","","90","","90","","2374.5","0.9","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C96 H88 N8 O16 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.7107","MoKα","","","0.0615","","","","0.0537","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500190","7.3056","0.0012","11.9291","0.0019","13.974","0.002","90","","101.169","0.003","90","","1194.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Co N8 O4 -","- C26 H22 Co N8 O4 -","- C52 H44 Co2 N16 O8 -","2","0.5","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71073","MoKα","","0.0482","0.0402","","","0.0932","0.0966","","","","","","1.047","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500191","7.2995","0.0007","11.8735","0.0012","13.8868","0.0014","90","","101.268","0.002","90","","1180.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N8 Ni O4 -","- C26 H22 N8 Ni O4 -","- C52 H44 N16 Ni2 O8 -","2","0.5","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71073","MoKα","","0.0354","0.0327","","","0.0838","0.0855","","","","","","1.006","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500192","14.314","0.003","14.314","0.003","6.2872","0.0012","90","","90","","90","","1288.2","0.5","291","2","291","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C24 H22 Co N8 O2 -","- C24 H22 Co N8 O2 -","- C48 H44 Co2 N16 O4 -","2","0.25","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71073","MoKα","","0.0506","0.0449","","","0.1093","0.1119","","","","","","1.017","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500193","9.943","0.002","21.71","0.005","13.266","0.003","90","","97.638","0.004","90","","2838.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N8 Ni O6 S -","- C24 H16 N8 Ni O6 S -","- C96 H64 N32 Ni4 O24 S4 -","4","1","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71073","MoKα","","0.0677","0.0523","","","0.1383","0.1474","","","","","","0.998","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500194","12.692","0.008","8.213","0.004","11.99","0.006","90","","118.75","0.02","90","","1095.8","1.1","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[Ag2(A)]","","- C12 H8 Ag2 N4 -","- C12 H8 Ag2 N4 -","- C48 H32 Ag8 N16 -","4","0.5","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71075","MoKα","","0.0221","0.021","","","0.0525","0.053","","","","","","1.104","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500195","15.616","0.0012","17.365","0.0013","19.962","0.0015","75.813","0.001","89.468","0.0009","76.036","0.0009","5085.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H70 Ag7 N20 O63 P2 W18 -","- C50 H70 Ag7 N20 O63 P2 W18 -","- C100 H140 Ag14 N40 O126 P4 W36 -","2","1","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan; Su, Zhong-min","An Interpenetrating Architecture Based on the Wells‒Dawson Polyoxometalate and AgI···AgIInteractions","Crystal Growth & Design","2011","11","7","2736","","10.1021/cg1012445","","","0.71069","MoKα","","0.0595","0.0442","","","0.1325","0.1512","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500196","29.084","0.005","18.553","0.005","20.463","0.005","90","0.005","107.775","0.005","90","0.005","10515","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N8 O10 Zn2 -","- C58 H44 N8 O10 Zn2 -","- C464 H352 N64 O80 Zn16 -","8","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0794","0.0534","","","0.1476","0.1572","","","","","","1.087","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500197","11.715","0.002","16.47","0.003","12.837","0.003","90","","107.714","0.003","90","","2359.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N4 O4 Zn -","- C26 H16 N4 O4 Zn -","- C104 H64 N16 O16 Zn4 -","4","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0771","0.0445","","","0.0981","0.1112","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500198","16.722","0.005","6.451","0.005","25.122","0.005","90","0.005","104.131","0.005","90","0.005","2628","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd N4 O6 -","- C26 H16 Cd N4 O6 -","- C104 H64 Cd4 N16 O24 -","4","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.065","0.0559","","","0.1495","0.1554","","","","","","1.05","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500199","24.175","0.006","11.436","0.003","18.386","0.005","90","","101.507","0.004","90","","4981","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 N5 O4 Zn -","- C29 H20 N5 O4 Zn -","- C232 H160 N40 O32 Zn8 -","8","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0845","0.0575","","","0.1018","0.1107","","","","","","1.114","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500200","14.8013","0.0013","6.3249","0.0005","28.897","0.002","90","","93.569","0.001","90","","2700","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cd N2 O5 -","- C14 H10 Cd N2 O5 -","- C112 H80 Cd8 N16 O40 -","8","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0629","0.0561","","","0.1385","0.1439","","","","","","1.098","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500201","33.9988","0.001","5.6638","0.0001","16.5382","0.0005","90","","101.437","0.003","90","","3121.4","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 N4 O14 Zn5 -","- C28 H21 N4 O14 Zn5 -","- C112 H84 N16 O56 Zn20 -","4","0.5","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0644","0.0443","","","0.1174","0.1219","","","","","","1.115","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500202","13.001","0.003","26.347","0.006","13.131","0.003","90","","117.311","0.004","90","","3996.5","1.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 F6 N4 O4 Zn -","- C31 H22 F6 N4 O4 Zn -","- C124 H88 F24 N16 O16 Zn4 -","4","1","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0793","0.0437","","","0.0894","0.0997","","","","","","1.069","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500203","7.4302","0.0009","25.077","0.003","13.2325","0.0016","90","","102.193","0.002","90","","2410","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cd F6 N2 O4 -","- C24 H15 Cd F6 N2 O4 -","- C96 H60 Cd4 F24 N8 O16 -","4","1","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0722","0.0492","","","0.1473","0.1584","","","","","","1","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500204","14.253","0.002","29.965","0.005","18.34","0.003","90","","112.87","","90","","7217","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H59 F12 N9 O9 Zn2 -","- C77 H59 F12 N9 O9 Zn2 -","- C308 H236 F48 N36 O36 Zn8 -","4","1","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0967","0.0558","","","0.113","0.1222","","","","","","1.037","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500205","23.685","0.003","14.647","0.002","29.08","0.004","90","","101.867","0.002","90","","9873","2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H30 F6 N4 O4 Zn -","- C45 H30 F6 N4 O4 Zn -","- C360 H240 F48 N32 O32 Zn8 -","8","1","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0662","0.0493","","","0.1315","0.1363","","","","","","1.048","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500206","13.9275","0.0015","16.4116","0.0017","17.7029","0.0019","110.472","0.002","96.531","0.002","109.872","0.002","3438.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H104 Cd4 F24 N12 O19 -","- C152 H104 Cd4 F24 N12 O19 -","- C152 H104 Cd4 F24 N12 O19 -","1","0.5","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0695","0.0435","","","0.0712","0.0744","","","","","","1.001","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500207","12.4893","0.0011","10.3565","0.0009","12.0625","0.0011","90","","115.579","0.001","90","","1407.3","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Fe I N2 -","- C14 H15 Fe I N2 -","- C56 H60 Fe4 I4 N8 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0205","0.0172","","","0.041","0.0426","","","","","","1.053","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500208","9.4333","0.0009","7.3718","0.0007","24.192","0.002","90","","96.023","0.001","90","","1673","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Fe I N3 -","- C16 H20 Fe I N3 -","- C64 H80 Fe4 I4 N12 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0259","0.0223","","","0.0556","0.0574","","","","","","1.172","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500209","36.863","0.002","5.8375","0.0003","13.9186","0.0008","90","","97.828","0.001","90","","2967.2","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Fe I N2 -","- C15 H17 Fe I N2 -","- C120 H136 Fe8 I8 N16 -","8","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0358","0.026","","","0.0597","0.0762","","","","","","1.087","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500210","17.167","0.004","7.3457","0.0015","16.854","0.004","90","","116.777","0.002","90","","1897.4","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Fe I N2 O -","- C20 H19 Fe I N2 O -","- C80 H76 Fe4 I4 N8 O4 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0591","0.0512","","","0.1176","0.1207","","","","","","1.197","","","","has coordinates,has disorder","179533","2020-10-21","18:00:00",""
"4500211","15.0403","0.0014","15.055","0.0014","18.998","0.0018","90","","90.773","0.002","90","","4301.4","0.7","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 Fe I N2 -","- C23 H25 Fe I N2 -","- C184 H200 Fe8 I8 N16 -","8","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0792","0.0613","","","0.1938","0.2034","","","","","","1.026","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500212","15.4138","0.0015","13.9173","0.0011","9.6697","0.0008","90","","97.185","0.005","90","","2058","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Fe I N3 -","- C22 H24 Fe I N3 -","- C88 H96 Fe4 I4 N12 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.1142","0.113","","","0.3168","0.3174","","","","","","2.067","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500213","10.3373","0.0007","7.6643","0.0005","26.9445","0.0019","90","","90","","90","","2134.8","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Fe N2 -","- C13 H12 Fe N2 -","- C104 H96 Fe8 N16 -","8","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.026","0.0221","","","0.056","0.0588","","","","","","1.062","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500214","15.0084","0.0012","7.7066","0.0006","12.8364","0.001","90","","104.69","0.001","90","","1436.2","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Fe N2 -","- C19 H16 Fe N2 -","- C76 H64 Fe4 N8 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0576","0.0408","","","0.0955","0.1032","","","","","","1.039","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500215","11.8","0.002","4.911","0.001","8.846","0.0018","90","","91.41","0.03","90","","512.47","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium butyrate","Lithium butanoate","","- C4 H7 Li O2 -","- C4 H7 Li O2 -","- C16 H28 Li4 O8 -","4","1","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","","","0.7514","Synchrotron","","0.0884","0.075","","","0.2006","0.2201","","","","","","1.045","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500216","12.153","0.002","4.928","0.001","8.905","0.0018","90","","91.58","0.03","90","","533.12","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium butyrate","Lithium butanoate","","- C4 H7 Li O2 -","- C4 H7 Li O2 -","- C16 H28 Li4 O8 -","4","1","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","","","0.7513","Synchrotron","","0.0805","0.065","","","0.1862","0.207","","","","","","1.112","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500217","15.56795","0.00016","7.26249","0.00005","4.80093","0.00004","90","","96.9765","0.0007","90","","538.784","0.008","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) butyrate","Lead(II) butanoate","","- C8 H14 O4 Pb -","- C8 H14 O4 Pb -","- C16 H28 O8 Pb2 -","2","0.5","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","powder diffraction","","0.8266","","","","","","","","","","4.7202","1.86","","","","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500218","18.052","0.003","18.052","0.003","19.523","0.004","90","","90","","90","","6362","2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Lithium and Lead(II) Butanoate","Lithium and Lead(II) Tributanoate","","- C12 H21 Li O6 Pb -","- C12 H21 Li O6 Pb -","- C192 H336 Li16 O96 Pb16 -","16","1","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","","","0.7379","Synchrotron","","0.0864","0.0731","","","0.1949","0.2133","","","","","","1.061","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500219","18.417","0.003","18.417","0.003","19.88","0.004","90","","90","","90","","6743","2","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Lithium and Lead(II) Butanoate","Lithium and Lead(II) Tributanoate","","- C12 H21 Li O6 Pb -","- C12 H21 Li O6 Pb -","- C192 H336 Li16 O96 Pb16 -","16","1","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","","","0.7513","Synchrotron","","0.0405","0.0376","","","0.0991","0.1021","","","","","","1.092","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500220","7.0692","0.0004","8.0877","0.0004","20.819","0.001","90.126","0.003","94.01","0.003","98.789","0.003","1173.34","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N6 O12 -","- C21 H20 N6 O12 -","- C42 H40 N12 O24 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.0564","0.049","","","0.1565","0.1635","","","","","","1.172","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500221","8.1862","0.0005","9.7027","0.0005","20.4351","0.0011","97.385","0.004","95.162","0.003","107.772","0.003","1518.43","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N6 O7 -","- C12 H14 N6 O7 -","- C48 H56 N24 O28 -","4","2","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.0746","0.0453","","","0.1159","0.1418","","","","","","0.819","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500222","7.0067","0.0003","8.5496","0.0004","14.864","0.0007","81.218","0.002","76.958","0.002","76.769","0.002","839.62","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N5 O7 -","- C15 H17 N5 O7 -","- C30 H34 N10 O14 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.0743","0.0421","","","0.1129","0.1279","","","","","","0.947","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500223","7.5311","0.0007","7.8947","0.0006","14.2199","0.0012","78.166","0.006","75.128","0.006","66.75","0.006","745.63","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.062","0.0407","","","0.0937","0.1007","","","","","","0.953","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500224","9.6071","0.0004","10.373","0.0004","15.3939","0.0007","76.39","0.003","81.941","0.003","66.586","0.003","1366.35","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N8 O10 -","- C25 H26 N8 O10 -","- C50 H52 N16 O20 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.1018","0.072","","","0.2149","0.2461","","","","","","1.086","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500225","20.2347","0.0016","8.9073","0.0007","14.6957","0.0011","90","","95.062","0.001","90","","2638.4","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Cl N2 Pd S -","- C13 H11 Cl N2 Pd S -","- C104 H88 Cl8 N16 Pd8 S8 -","8","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0315","0.0302","","","0.073","0.0735","","","","","","1.307","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500226","20.471","0.003","9.0564","0.0011","14.5722","0.0018","90","","94.027","0.002","90","","2694.9","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Br N2 Pd S -","- C13 H11 Br N2 Pd S -","- C104 H88 Br8 N16 Pd8 S8 -","8","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0274","0.0247","","","0.0793","0.0807","","","","","","1.244","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500227","8.765","0.002","11.551","0.001","14.331","0.014","90","","106.951","0.017","90","","1387.9","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 Pd S -","- C13 H11 I N2 Pd S -","- C52 H44 I4 N8 Pd4 S4 -","4","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0584","0.052","","","0.1243","0.1391","","","","","","1.27","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500228","12.525","0.005","8.55","0.003","26.157","0.01","90","","90","","90","","2801.1","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N3 O3 Pd S -","- C13 H11 N3 O3 Pd S -","- C104 H88 N24 O24 Pd8 S8 -","8","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.1017","0.0929","","","0.1566","0.1602","","","","","","1.354","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500229","13.571","0.002","6.8775","0.0011","19.372","0.003","90","","100.397","0.003","90","","1778.4","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N3 O4 Pd S -","- C15 H14 Cl N3 O4 Pd S -","- C60 H56 Cl4 N12 O16 Pd4 S4 -","4","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0968","0.0888","","","0.1647","0.1682","","","","","","1.28","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500230","7.369","0.003","8.716","0.004","10.981","0.005","105.397","0.007","92.893","0.007","95.948","0.007","674.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cl2 N2 Pd S -","- C13 H10 Cl2 N2 Pd S -","- C26 H20 Cl4 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0238","0.0235","","","0.0625","0.0627","","","","","","1.255","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500231","7.4604","0.0009","8.9195","0.001","11.2089","0.0013","106.434","0.002","93.494","0.003","96.418","0.002","707.56","0.14","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H10 Br Cl N2 Pd S -","- C13 H10 Br Cl N2 Pd S -","- C26 H20 Br2 Cl2 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0348","0.0344","","","0.0896","0.0899","","","","","","1.212","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500232","7.506","0.002","10.282","0.001","19.63","0.03","90","","90","","90","","1515","2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H10 Cl I N2 Pd S -","- C13 H10 Cl I N2 Pd S -","- C52 H40 Cl4 I4 N8 Pd4 S4 -","4","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0447","0.0435","","","0.1094","0.1121","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500233","7.398","0.01","8.812","0.012","11.091","0.015","105.26","0.02","93.73","0.02","97.35","0.02","688.1","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Cl N2 Pd S -","- C14 H13 Cl N2 Pd S -","- C28 H26 Cl2 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0354","0.035","","","0.1083","0.1102","","","","","","1.149","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500234","7.421","0.002","8.975","0.003","11.242","0.003","106.21","0.004","93.895","0.005","97.039","0.004","709.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Br N2 Pd S -","- C14 H13 Br N2 Pd S -","- C28 H26 Br2 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0283","0.0259","","","0.0674","0.0689","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500235","7.5061","0.0009","9.3051","0.0011","11.5247","0.0014","107.556","0.002","95.126","0.002","96.755","0.002","755.47","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 I N2 Pd S -","- C14 H13 I N2 Pd S -","- C28 H26 I2 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.033","0.0311","","","0.0756","0.0765","","","","","","1.325","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500236","18.605","0.003","11.0738","0.0015","15.988","0.002","90","","113.911","0.002","90","","3011.3","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl N2 Pd S -","- C15 H15 Cl N2 Pd S -","- C120 H120 Cl8 N16 Pd8 S8 -","8","2","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0625","0.0527","","","0.1355","0.1407","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500237","18.713","0.005","11.191","0.003","16.218","0.004","90","","114","0.004","90","","3102.7","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Br N2 Pd S -","- C15 H15 Br N2 Pd S -","- C120 H120 Br8 N16 Pd8 S8 -","8","2","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0462","0.0387","","","0.0845","0.0874","","","","","","1.114","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500238","21.27","0.02","11.464","0.004","16.749","0.005","90","","127.517","0.017","90","","3239","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 I N2 Pd S -","- C15 H15 I N2 Pd S -","- C120 H120 I8 N16 Pd8 S8 -","8","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.1002","0.0681","","","0.1296","0.1412","","","","","","1.06","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500239","22.3848","0.0017","22.3848","0.0017","3.7128","0.0003","90","","90","","90","","1860.4","0.3","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H4 Ag Cl4 N8 -","- C16 H4 Ag Cl4 N8 -","- C64 H16 Ag4 Cl16 N32 -","4","0.25","","Naito, Toshio; Kakizaki, Akihiro; Inabe, Tamotsu; Sakai, Riu; Nishibori, Eiji; Sawa, Hiroshi","Growth of Nanocrystals in a Single Crystal of Different Materials: A Way of Giving Function to Molecular Crystals","Crystal Growth & Design","2011","11","2","501","","10.1021/cg101295p","","","0.71073","MoKα","","0.0538","0.044","","0.0884","0.0859","0.0859","","","","","","0.9189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500240","22.377","0.0011","22.377","0.0011","3.7289","0.0002","90","","90","","90","","1867.17","0.16","300","","300","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H4 Ag Cl4 N8 -","- C16 H4 Ag Cl4 N8 -","- C64 H16 Ag4 Cl16 N32 -","4","0.25","","Naito, Toshio; Kakizaki, Akihiro; Inabe, Tamotsu; Sakai, Riu; Nishibori, Eiji; Sawa, Hiroshi","Growth of Nanocrystals in a Single Crystal of Different Materials: A Way of Giving Function to Molecular Crystals","Crystal Growth & Design","2011","11","2","501","","10.1021/cg101295p","","","0.71073","MoKα","","0.0505","0.0392","","0.0322","0.0319","0.0319","","","","","","1.6109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500241","22.4002","0.0019","22.4002","0.0019","3.7333","0.0003","90","","90","","90","","1873.3","0.3","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H4 Ag Cl4 N8 -","- C16 H4 Ag Cl4 N8 -","- C64 H16 Ag4 Cl16 N32 -","4","0.25","","Naito, Toshio; Kakizaki, Akihiro; Inabe, Tamotsu; Sakai, Riu; Nishibori, Eiji; Sawa, Hiroshi","Growth of Nanocrystals in a Single Crystal of Different Materials: A Way of Giving Function to Molecular Crystals","Crystal Growth & Design","2011","11","2","501","","10.1021/cg101295p","","","0.71073","MoKα","","0.0711","0.0665","","0.072","0.0719","0.0719","","","","","","1.0788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500242","27.2264","0.0019","13.8822","0.001","18.0322","0.0011","90","","123.734","0.001","90","","5667.9","0.7","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H78 Fe2 N20 Ni2 O5 -","- C42 H78 Fe2 N20 Ni2 O5 -","- C168 H312 Fe8 N80 Ni8 O20 -","4","0.5","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0801","0.0559","","","0.1369","0.1535","","","","","","1.092","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500243","19.2199","0.0006","19.2199","0.0006","15.8463","0.0007","90","","90","","120","","5069.4","0.3","153","2","153","2","","","","","","","","6","P 61","P 61","169","","","","- C21 H40 Fe N10 Ni O3 -","- C21 H36 Fe N10 Ni O3 -","- C126 H216 Fe6 N60 Ni6 O18 -","6","1","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0795","0.0461","","","0.0997","0.1286","","","","","","1.084","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500244","19.2182","0.0003","19.2182","0.0003","15.842","0.0004","90","","90","","120","","5067.18","0.17","153","2","153","2","","","","","","","","6","P 65","P 65","170","","","","- C21 H40 Fe N10 Ni O3 -","- C21 H36 Fe N10 Ni O3 -","- C126 H216 Fe6 N60 Ni6 O18 -","6","1","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0486","0.0359","","","0.0748","0.0831","","","","","","1.062","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500245","10.2422","0.0006","10.2422","0.0006","23.343","0.0016","90","","90","","120","","2120.7","0.2","153","2","153","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C21 H38 Fe N10 Ni O2 -","- C21 H38 Fe N10 Ni O2 -","- C63 H114 Fe3 N30 Ni3 O6 -","3","0.5","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.1114","0.0469","","","0.0905","0.1298","","","","","","1.095","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500246","10.2272","0.0006","10.2272","0.0006","23.3035","0.0014","90","","90","","120","","2110.9","0.2","153","2","153","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C21 H38 Fe N10 Ni O2 -","- C21 H38 Fe N10 Ni O2 -","- C63 H114 Fe3 N30 Ni3 O6 -","3","0.5","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0309","0.0279","","","0.0646","0.0659","","","","","","1.036","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500247","6.3217","0.0002","8.5303","0.0003","15.5713","0.0006","80.929","0.002","89.67","0.002","69.818","0.002","777.21","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N4 O10 -","- C32 H34 N4 O10 -","- C32 H34 N4 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.0532","0.0465","","","0.1318","0.1382","","","","","","1.068","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500248","9.4527","0.0005","9.474","0.0004","9.7186","0.0004","104.394","0.003","101.121","0.003","106.048","0.003","777.52","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O10 S2 -","- C30 H32 N2 O10 S2 -","- C30 H32 N2 O10 S2 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.1029","0.0809","","","0.228","0.2534","","","","","","1.025","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500249","14.9497","0.0005","8.8863","0.0003","12.1128","0.0004","90","","98.096","0.002","90","","1593.12","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O8 -","- C36 H30 N4 O8 -","- C72 H60 N8 O16 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.0603","0.04","","","0.0983","0.1074","","","","","","0.997","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500250","8.79","0.003","12.746","0.004","15.13","0.005","101.03","0.013","91.205","0.014","99.449","0.012","1638.8","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H62 N8 O8 -","- C80 H62 N8 O8 -","- C80 H62 N8 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.1664","0.0585","","","0.1175","0.1475","","","","","","1.016","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500251","23.4842","0.0015","5.0207","0.0004","25.7292","0.0016","90","","115.859","0.004","90","","2729.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","2","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.086","0.0452","","","0.1081","0.1324","","","","","","0.925","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500252","26.316","0.011","7.329","0.004","7.737","0.003","90","","90","","90","","1492.2","1.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.0529","0.0476","","","0.117","0.1207","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500253","8.665","0.0017","12.644","0.002","12.964","0.002","77.925","0.009","86.183","0.008","87.733","0.009","1385.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N3 O4 -","- C34 H27 N3 O4 -","- C68 H54 N6 O8 -","2","1","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.0907","0.0673","","","0.1995","0.2204","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500254","12.824","0.003","16.867","0.003","17.66","0.004","90","","94.5","0.03","90","","3808.1","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Cu N4 O13 -","- C34 H50 Cu N4 O13 -","- C136 H200 Cu4 N16 O52 -","4","1","","Luo, Geng-Geng; Xiong, Hong-Bo; Dai, Jing-Cao","Syntheses, Structural Characterization, and Properties of {[Cu(bpp)2(H2O)2](tp)·7H2O} and {[Cu(bpp)2(H2O)](ip)·7H2O} Complexes. New Examples of the Organic Anionic Template Effect on Induced Assembly of Water Clusters (bpp = 1,3-Bis(4-pyridyl)propane, tp = Terephthalate, ip = Isophthalate)†","Crystal Growth & Design","2011","11","2","507","","10.1021/cg1013208","","","0.71073","MoKα","","0.0442","0.0351","","","0.0869","0.0914","","","","","","1.059","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500255","10.439","0.002","16.863","0.003","11.302","0.002","90","","107.84","0.03","90","","1893.9","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H48 Cu N4 O12 -","- C34 H48 Cu N4 O12 -","- C68 H96 Cu2 N8 O24 -","2","1","","Luo, Geng-Geng; Xiong, Hong-Bo; Dai, Jing-Cao","Syntheses, Structural Characterization, and Properties of {[Cu(bpp)2(H2O)2](tp)·7H2O} and {[Cu(bpp)2(H2O)](ip)·7H2O} Complexes. New Examples of the Organic Anionic Template Effect on Induced Assembly of Water Clusters (bpp = 1,3-Bis(4-pyridyl)propane, tp = Terephthalate, ip = Isophthalate)†","Crystal Growth & Design","2011","11","2","507","","10.1021/cg1013208","","","0.71073","MoKα","","0.0957","0.0373","","","0.0708","0.1092","","","","","","1.126","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500256","17.5949","0.0003","17.5949","0.0003","22.5436","0.0013","90","","90","","120","","6044","0.4","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C18 H36 Cu7 I7 N6 -","- C18 H36 Cu7 I7 N6 -","- C108 H216 Cu42 I42 N36 -","6","0.5","","Zhang, Ying; He, Xinwei; Zhang, Jian; Feng, Pingyun","CuI Cluster-Based Organic Frameworks with Unusual 4- and 5-Connected Topologies","Crystal Growth & Design","2011","11","1","29","","10.1021/cg101321u","","","0.71073","MoKα","","0.0356","0.0303","","","0.073","0.0754","","","","","","1.071","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500257","15.2229","0.0001","15.2229","0.0001","6.8862","0.0001","90","","90","","120","","1381.99","0.02","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C20 H36 Cu8 I6 N8 -","- C20.06 Cu8 I6 N8 -","- C20.06 Cu8 I6 N8 -","1","0.0833333","","Zhang, Ying; He, Xinwei; Zhang, Jian; Feng, Pingyun","CuI Cluster-Based Organic Frameworks with Unusual 4- and 5-Connected Topologies","Crystal Growth & Design","2011","11","1","29","","10.1021/cg101321u","","","0.71073","MoKα","","0.066","0.0467","","","0.1342","0.1441","","","","","","1.116","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500258","33.758","0.007","23.128","0.005","21.937","0.004","90","","124.48","0.03","90","","14119","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H124 Mn9 N32 O55 -","- C128 H84 Mn9 N32 O55 -","- C512 H336 Mn36 N128 O220 -","4","0.5","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.093","0.0624","","","0.1422","0.1558","","","","","","1.06","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500259","11.135","0.002","11.234","0.002","21.495","0.004","96.09","0.03","94.38","0.03","92.4","0.03","2662.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H47 Mn3.5 N12 O21 -","- C48 H30 Mn3.5 N12 O21 -","- C96 H60 Mn7 N24 O42 -","2","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.1422","0.1087","","","0.2714","0.2864","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500260","23.817","0.005","10.971","0.002","17.866","0.004","90","","127.26","0.03","90","","3715","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12.75 Cu N4 O5.37 -","- C16 H11.25 Cu N4 O5.375 -","- C128 H90 Cu8 N32 O43 -","8","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0806","0.062","","","0.1594","0.1702","","","","","","1.063","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500261","15.241","0.003","9.853","0.002","15.122","0.003","90","","96.02","0.03","90","","2258.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H18.75 N5.25 O5 Zn -","- C19.5 H17.25 N5.25 O5 Zn -","- C78 H69 N21 O20 Zn4 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.1741","0.0769","","","0.1927","0.2584","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500262","23.987","0.005","16.74","0.003","16.896","0.003","90","","95.55","0.03","90","","6753","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H32.5 N10.5 O9 Zn2 -","- C43.5 H27.5 N10.5 O9 Zn2 -","- C174 H110 N42 O36 Zn8 -","4","0.5","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0901","0.0623","","","0.1983","0.2173","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500263","15.656","0.003","19.749","0.004","16.405","0.003","90","","114.35","0.03","90","","4621.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H47.5 N12 O14.75 Zn2 -","- C42 H40 N12 O14.75 Zn2 -","- C168 H160 N48 O59 Zn8 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.1057","0.0708","","","0.1723","0.1855","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500264","7.3126","0.0015","31.409","0.006","15.622","0.003","90","","93.06","0.03","90","","3583","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cd2 N8 O15.5 -","- C32 H35 Cd2 N8 O15.5 -","- C128 H140 Cd8 N32 O62 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0875","0.0615","","","0.1536","0.1648","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500265","8.6342","0.0017","22.139","0.004","12.024","0.002","90","","102.26","0.03","90","","2246","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22.5 Cd N4 O10.25 -","- C16 H22 Cd N4 O10.25 -","- C64 H88 Cd4 N16 O41 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0884","0.0627","","","0.182","0.2012","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500266","11.7859","0.0011","24.442","0.002","9.9888","0.0008","90","","110.577","0.005","90","","2693.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Cd N6 O4 -","- C29 H24 Cd N6 O4 -","- C116 H96 Cd4 N24 O16 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0535","0.035","","","0.0828","0.0919","","","","","","1.054","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500267","24.878","0.005","13.989","0.003","14.758","0.003","90","","118.03","0.03","90","","4534","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Cd2 N12 O14 -","- C42 H32 Cd2 N12 O14 -","- C168 H128 Cd8 N48 O56 -","4","0.5","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0342","0.0288","","","0.0782","0.0803","","","","","","1.08","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500268","7.8015","0.0006","8.4145","0.0007","14.759","0.0011","82.508","0.001","79.936","0.001","77.708","0.001","927.71","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl4 N8 O4 Zn2 -","- C36 H28 Cl4 N8 O4 Zn2 -","- C36 H28 Cl4 N8 O4 Zn2 -","1","0.5","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.031","0.027","","","0.0768","0.0794","","","","","","1.038","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500269","7.8225","0.0009","8.4218","0.0009","14.8851","0.0016","82.023","0.002","80.663","0.002","78.46","0.002","942.32","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Br4 N8 O4 Zn2 -","- C36 H28 Br4 N8 O4 Zn2 -","- C36 H28 Br4 N8 O4 Zn2 -","1","0.5","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.0448","0.0334","","","0.0761","0.0807","","","","","","1.035","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500270","7.9309","0.0016","8.821","0.002","15.17","0.003","83.763","0.011","81.709","0.011","80.531","0.011","1031.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 I4 N8 O4 Zn2 -","- C36 H28 I4 N8 O4 Zn2 -","- C36 H28 I4 N8 O4 Zn2 -","1","0.5","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.0882","0.066","","","0.1812","0.2259","","","","","","1.058","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500271","16.352","0.004","7.805","0.002","17.651","0.005","90","","113.737","0.005","90","","2062.2","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N4 O4 Zn -","- C18 H14 Cl2 N4 O4 Zn -","- C72 H56 Cl8 N16 O16 Zn4 -","4","1","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.1061","0.0971","","","0.2899","0.2935","","","","","","1.222","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500272","8.671","0.011","9.631","0.013","13.505","0.017","74.014","0.015","74.102","0.016","68.061","0.015","987","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Cl2 N4 O3 Zn -","- C19 H14 Cl2 N4 O3 Zn -","- C38 H28 Cl4 N8 O6 Zn2 -","2","1","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.0995","0.0813","","","0.2237","0.239","","","","","","1.07","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500273","8.7547","0.0003","9.6918","0.0004","13.655","0.0005","73.332","0.001","74.563","0.001","67.67","0.001","1010.41","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br2 N4 O3 Zn -","- C19 H17 Br2 N4 O3 Zn -","- C38 H34 Br4 N8 O6 Zn2 -","2","1","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.043","0.0328","","","0.0785","0.0833","","","","","","1.048","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500274","10.0495","0.0002","11.0245","0.0004","18.1435","0.0004","81.327","0.007","78.6","0.005","79.416","0.006","1923.23","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Eu3 N4 O26 S -","- C28 H23 Eu3 N4 O26 S -","- C56 H46 Eu6 N8 O52 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0444","0.0364","","","0.092","0.0998","","","","","","1.113","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500275","10.6886","0.0005","16.4787","0.0007","12.4214","0.0006","90","","100.007","0.004","90","","2154.55","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Ce2 N2 O16 S -","- C14 H14 Ce2 N2 O16 S -","- C56 H56 Ce8 N8 O64 S4 -","4","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0579","0.0496","","","0.1391","0.1642","","","","","","1.223","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500276","10.6611","0.0009","16.4266","0.0011","12.4018","0.0008","90","","99.793","0.007","90","","2140.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O16 Pr2 S -","- C14 H14 N2 O16 Pr2 S -","- C56 H56 N8 O64 Pr8 S4 -","4","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0743","0.0684","","","0.1671","0.1777","","","","","","1.102","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500277","10.623","0.003","16.369","0.005","12.362","0.004","90","","99.655","0.006","90","","2119.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 Nd2 O16 S -","- C14 H14 N2 Nd2 O16 S -","- C56 H56 N8 Nd8 O64 S4 -","4","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0389","0.0324","","","0.0812","0.0952","","","","","","1.281","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500278","10.577","0.005","16.299","0.008","12.333","0.006","90","","99.566","0.01","90","","2096.6","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O16 S Sm2 -","- C14 H14 N2 O16 S Sm2 -","- C56 H56 N8 O64 S4 Sm8 -","4","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0517","0.0437","","","0.1146","0.1404","","","","","","1.199","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500279","10.701","0.007","10.737","0.007","27.233","0.017","95.068","0.008","101.078","0.005","103.937","0.009","2950","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Ce5 N7 O35 S2 -","- C44 H32 Ce5 N7 O35 S2 -","- C88 H64 Ce10 N14 O70 S4 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.1047","0.0757","","","0.1974","0.2287","","","","","","1.085","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500280","9.7665","0.0002","19.3844","0.0009","20.3345","0.0009","90","","90","","90","","3849.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N O9 U -","- C16 H21 N O9 U -","- C128 H168 N8 O72 U8 -","8","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0505","0.0416","","","0.0933","0.0961","","","","","","1.135","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500281","7.1987","0.0005","11.4136","0.0004","17.2888","0.0011","90","","101.806","0.003","90","","1390.45","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O9 U -","- C10 H10 O9 U -","- C40 H40 O36 U4 -","4","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0368","0.028","","","0.074","0.0764","","","","","","1.082","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500282","11.106","0.0004","13.2861","0.0005","15.3098","0.0005","77.361","0.002","84.741","0.003","71.863","0.002","2094.11","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 N2 O23.5 U2 -","- C36 H41 N2 O23.5 U2 -","- C72 H82 N4 O47 U4 -","2","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0321","0.025","","","0.0556","0.0573","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500283","13.2377","0.0011","8.1731","0.0007","18.1071","0.0016","90","","91.195","0.006","90","","1958.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 N2 O13 U -","- C14 H26 N2 O13 U -","- C56 H104 N8 O52 U4 -","4","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0633","0.0539","","","0.1197","0.1239","","","","","","1.137","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500284","18.0451","0.0018","15.0183","0.0008","18.8449","0.0016","90","","90","","90","","5107.1","0.7","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H25 N2 O12.5 U -","- C14 H22 N2 O12.5 U -","- C112 H176 N16 O100 U8 -","8","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.1021","0.0721","","","0.1858","0.1982","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500285","12.002","0.0009","12.6829","0.0005","27.185","0.002","90","","90","","90","","4138.1","0.5","150","2","150","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C14 H21 N2 Na O11 U -","- C14 H19 N2 Na1.00005 O11 U -","- C112 H152 N16 Na8.0004 O88 U8 -","8","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0414","0.037","","","0.1014","0.1045","","","","","","1.037","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500286","10.719","0.007","17.883","0.005","8.208","0.003","90","","105.072","0.005","90","","1519.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cd I N4 O3 -","- C13 H11 Cd I N4 O3 -","- C52 H44 Cd4 I4 N16 O12 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0522","0.0357","","","0.0837","0.0966","","","","","","1.071","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500287","10.395","0.004","16.766","0.005","9.492","0.003","90","","102.088","0.004","90","","1617.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O5 Zn -","- C15 H14 N4 O5 Zn -","- C60 H56 N16 O20 Zn4 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0508","0.0405","","","0.0981","0.1187","","","","","","1.154","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500288","11.818","0.005","7.566","0.004","16.475","0.004","90","0.006","93.607","0.005","90","0.003","1470.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N4 O4 Zn -","- C15 H12 N4 O4 Zn -","- C60 H48 N16 O16 Zn4 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0677","0.046","","","0.1193","0.1822","","","","","","1.201","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500289","12.392","0.005","13.697","0.006","7.612","0.006","90","","93.127","0.006","90","","1290.1","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 N5 O5 Zn -","- C13 H9 N5 O5 Zn -","- C52 H36 N20 O20 Zn4 -","4","0.5","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0391","0.0327","","","0.0794","0.0851","","","","","","1.119","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500290","6.673","0.004","14.874","0.003","12.472","0.004","90","","90","","90","","1237.9","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H11 Cu N4 O3 -","- C13 H11 Cu N4 O3 -","- C52 H44 Cu4 N16 O12 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0918","0.0636","","","0.1669","0.237","","","","","","1.102","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500291","10.619","0.004","11.171","0.005","13.429","0.004","70.495","0.005","67.445","0.005","88.465","0.003","1377.3","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N8 Ni O9 -","- C26 H28 N8 Ni O9 -","- C52 H56 N16 Ni2 O18 -","2","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0817","0.0547","","","0.1311","0.1746","","","","","","1.102","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500292","7.171","0.004","9.352","0.003","9.55","0.003","92.794","0.005","92.096","0.005","91.414","0.004","639","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Co N4 O4 -","- C13 H12 Co N4 O4 -","- C26 H24 Co2 N8 O8 -","2","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.1319","0.1069","","","0.2748","0.3067","","","","","","1.091","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500293","14.423","0.003","13.523","0.003","14.776","0.004","90","","100.451","0.004","90","","2834.1","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N9 O8 Pb2 -","- C26 H19 N9 O8 Pb2 -","- C104 H76 N36 O32 Pb8 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0731","0.0441","","","0.1094","0.1546","","","","","","1.111","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500294","24.4141","0.0009","17.7598","0.0004","12.7352","0.0004","90","","116.051","0.004","90","","4960.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Cl2 K2 N20 O13.5 -","- C40 H50 Cl2 K2 N20 O13.5 -","- C160 H200 Cl8 K8 N80 O54 -","4","0.5","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.0933","0.0661","","","0.202","0.2162","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500295","24.5971","0.0013","17.9071","0.0007","13.102","0.0007","90","","115.756","0.007","90","","5197.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H116 Cl4 K4 N40 O43 -","- C80 H116 Cl4 K4 N40 O43 -","- C160 H232 Cl8 K8 N80 O86 -","2","0.25","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.1134","0.0581","","","0.138","0.1558","","","","","","0.916","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500296","22.222","0.004","18.009","0.004","12.897","0.003","90","","97.08","0.03","90","","5122","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 K2 N22 O13 S2 -","- C42 H50 K2 N22 O11.5 S2 -","- C168 H200 K8 N88 O46 S8 -","4","1","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.1747","0.0882","","","0.2217","0.2663","","","","","","1.036","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500297","17.271","0.003","14.611","0.003","28.685","0.006","90","","101.7","0.004","90","","7088","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 K2 Mo8 N20 Na2 O42 -","- C40 H50 K2 Mo8 N20 Na2 O42 -","- C160 H200 K8 Mo32 N80 Na8 O168 -","4","0.5","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.0835","0.0692","","","0.2","0.2314","","","","","","1.168","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500298","17.323","0.004","14.597","0.003","28.741","0.007","90","","100.931","0.004","90","","7136","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Mo8 N20 Na2 O42 Rb2 -","- C40 H50 Mo8 N20 Na2 O42 Rb2 -","- C160 H200 Mo32 N80 Na8 O168 Rb8 -","4","0.5","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.0736","0.0623","","","0.1581","0.1755","","","","","","1.164","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500299","33.015","0.004","12.0251","0.0016","25.366","0.003","90","","93.295","0.002","90","","10054","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 Cd3 N8 O13 -","- C54 H34 Cd3 N8 O13 -","- C432 H272 Cd24 N64 O104 -","8","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0724","0.0502","","","0.1119","0.1256","","","","","","1.035","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500300","18.8457","0.0016","13.6944","0.0016","20.315","0.002","90","","90","","90","","5242.9","0.9","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","[Co3(G1)2(DPA)2(OH2)2]-H2O","","- C54 H40 Co3 N8 O15 -","- C54 H34 Co3 N8 O15 -","- C216 H136 Co12 N32 O60 -","4","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71075","MoKα","","0.0781","0.0736","","","0.1869","0.1928","","","","","","1.062","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500301","6.011","0.0008","17.257","0.002","14.755","0.002","90","","90.591","0.003","90","","1530.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cd N4 O4 -","- C17 H14 Cd N4 O4 -","- C68 H56 Cd4 N16 O16 -","4","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0427","0.0333","","","0.0699","0.0723","","","","","","1.012","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500302","27.266","0.004","7.5708","0.0011","21.833","0.003","90","","126.51","0.005","90","","3622.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Cd N4 O5 -","- C19 H15 Cd N4 O5 -","- C152 H120 Cd8 N32 O40 -","8","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0432","0.0394","","","0.0942","0.0964","","","","","","0.936","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500303","10.3889","0.001","16.1517","0.0016","11.3055","0.0011","90","","99.822","0.002","90","","1869.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cd N4 O5 -","- C18 H11 Cd N4 O5 -","- C72 H44 Cd4 N16 O20 -","4","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0388","0.0339","","","0.0842","0.0873","","","","","","1.034","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500304","10.3885","0.0011","16.1515","0.0016","11.3054","0.0011","90","","99.812","0.002","90","","1869.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cd N4 O5 -","- C18 H9 Cd N4 O5 -","- C72 H36 Cd4 N16 O20 -","4","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0634","0.0468","","","0.1114","0.118","","","","","","1.026","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500305","5.3419","0.0005","9.5609","0.0008","23.528","0.003","90","","91.294","0.009","90","","1201.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","salicylic acid/benzamide co-crystal","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.1166","0.0668","","","0.1411","0.1554","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500306","16.2626","0.0011","6.8717","0.0004","11.98","0.0008","90","","107.429","0.007","90","","1277.32","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-nitrobenzoic acid/benzamide co-crystal","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C56 H48 N8 O20 -","4","1","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.0684","0.0423","","","0.1015","0.1095","","","","","","0.945","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500307","8.6105","0.0007","5.0229","0.0003","30.253","0.005","90","","98.77","0.01","90","","1293.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy3-nitrobenzoic acid/benzamide co-crystal","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.0601","0.0448","","","0.1033","0.1078","","","","","","1.05","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500308","8.4617","0.0018","10.738","0.002","16.049","0.003","90","","99.334","0.007","90","","1438.9","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O7 -","- C14 H11 N3 O7 -","- C56 H44 N12 O28 -","4","1","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.0529","0.0384","","0.098","0.0931","0.098","","","","","","0.9018","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500309","6.5876","0.0005","13.517","0.0008","8.0345","0.0005","90","","90","","90","","715.43","0.08","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Phloroglucinol dihyrate","1, 3, 5-trihydroxybenzene dihydrate","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","0.5","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.0599","0.0463","","","0.1167","0.1215","","","","","","0.934","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500310","21.561","0.003","14.717","0.002","17.745","0.003","90","","90","","90","","5630.7","1.5","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C23 H15 Cu F6 N O4 -","- C23 H15 Cu F6 N O4 -","- C184 H120 Cu8 F48 N8 O32 -","8","","","Pachfule, Pradip; Das, Raja; Poddar, Pankaj; Banerjee, Rahul","Solvothermal Synthesis, Structure, and Properties of Metal Organic Framework Isomers Derived from a Partially Fluorinated Link","Crystal Growth & Design","2011","11","4","1215","","10.1021/cg101414x","","","0.71073","MoKα","","0.0529","0.066","","","0.141","0.1638","","","","","","1.067","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500311","21.626","0.002","14.6622","0.0017","17.777","0.003","90","","90","","90","","5636.8","1.3","298","2","298","2","","","","","","","","6","C m c 21","C 2c -2","36","Zn-F-MOF-4A","","","- C29 H22 F5.92 N2 O4 Zn -","- C29 H22.5 F5.92 N2 O4 Zn -","- C232 H180 F47.36 N16 O32 Zn8 -","8","1","","Pachfule, Pradip; Das, Raja; Poddar, Pankaj; Banerjee, Rahul","Solvothermal Synthesis, Structure, and Properties of Metal Organic Framework Isomers Derived from a Partially Fluorinated Link","Crystal Growth & Design","2011","11","4","1215","","10.1021/cg101414x","","","0.71073","MoKα","","0.0967","0.0596","","","0.1345","0.1542","","","","","","0.949","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500312","26.154","0.005","15.106","0.005","16.753","0.005","90","0.005","118.632","0.005","90","0.005","5809","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H34 Cd N7 O9 P -","- C21 H34 Cd N7 O9 P -","- C168 H272 Cd8 N56 O72 P8 -","8","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71069","MoKα","","0.0434","0.0373","","","0.0956","0.0997","","","","","","1.049","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500313","8.661","0.005","14.334","0.005","15.004","0.005","61.642","0.005","78.645","0.005","78.346","0.005","1594.3","1.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H29 Cd Cl3 N9 O10 P -","- C19 H29 Cd Cl3 N9 O10 P -","- C38 H58 Cd2 Cl6 N18 O20 P2 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71069","MoKα","","0.0839","0.0668","","","0.182","0.2014","","","","","","1.019","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500314","9.413","0.005","14.99","0.005","15.112","0.005","116.842","0.005","97.929","0.005","94.084","0.005","1862.8","1.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H31 Cd Cl3 N11 O8 P -","- C27 H31 Cd Cl3 N11 O8 P -","- C54 H62 Cd2 Cl6 N22 O16 P2 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71069","MoKα","","0.0937","0.0772","","","0.2091","0.2309","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500315","9.507","0.003","11.992","0.004","12.418","0.004","66.833","0.005","68.149","0.005","88.919","0.006","1194.5","0.7","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H24 Cl2 N7 O3 P Zn -","- C17 H24 Cl2 N7 O3 P Zn -","- C34 H48 Cl4 N14 O6 P2 Zn2 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71073","MoKα","","0.0621","0.0501","","","0.1344","0.1446","","","","","","1.053","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500316","17.251","0.005","20.112","0.005","11.419","0.005","90","0.005","97.786","0.005","90","0.005","3925","2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Mn N14 O4 P2 -","- C32 H40 Cl2 Mn N14 O4 P2 -","- C128 H160 Cl8 Mn4 N56 O16 P8 -","4","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71069","MoKα","","0.0853","0.0533","","","0.1194","0.1365","","","","","","0.986","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500317","17.462","0.007","20.228","0.009","11.371","0.005","90","","96.936","0.008","90","","3987","3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Co N14 O4 P2 -","- C32 H40 Cl2 Co N14 O4 P2 -","- C128 H160 Cl8 Co4 N56 O16 P8 -","4","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71073","MoKα","","0.1391","0.0549","","","0.1132","0.1449","","","","","","0.907","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500318","8.136","0.002","11.986","0.002","21.178","0.004","90","","98.029","0.002","90","","2045","0.7","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 O2 -","- C26 H32 O2 -","- C104 H128 O8 -","4","0.5","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels","Crystal Growth & Design","2011","11","2","542","","10.1021/cg101427k","","","0.71073","MoKα","","0.0504","0.0406","","","0.1049","0.112","","","","","","1.06","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500319","6.909","0.001","10.591","0.002","14.238","0.004","108.02","0.003","97.455","0.003","102.059","0.002","947.5","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 Br2 O2 -","- C22 H22 Br2 O2 -","- C44 H44 Br4 O4 -","2","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels","Crystal Growth & Design","2011","11","2","542","","10.1021/cg101427k","","","0.71073","MoKα","","0.0429","0.0351","","","0.0959","0.0996","","","","","","1.074","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500320","26.384","0.002","6.4107","0.0005","27.2","0.003","90","","117.2","0.001","90","","4091.9","0.6","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H22.5 Cl3.5 O2 -","- C22.5 H22.5 Cl3.5 O2 -","- C180 H180 Cl28 O16 -","8","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels","Crystal Growth & Design","2011","11","2","542","","10.1021/cg101427k","","","0.71073","MoKα","","0.0554","0.0405","","","0.0985","0.1087","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500321","6.354","0.001","12.695","0.002","13.196","0.003","117.671","0.002","90.941","0.002","99.691","0.002","923.8","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22.5 H24.5 Cl1.5 O2 -","- C22.5 H24.5 Cl1.5 O2 -","- C45 H49 Cl3 O4 -","2","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels","Crystal Growth & Design","2011","11","2","542","","10.1021/cg101427k","","","0.71073","MoKα","","0.0521","0.0461","","","0.1219","0.1249","","","","","","1.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500322","9.5174","0.0003","12.5384","0.0003","16.3714","0.0004","80.008","0.001","81.419","0.001","69.005","0.001","1788.22","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 La N2 O12 -","- C36 H36 La N2 O12 -","- C72 H72 La2 N4 O24 -","2","1","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0227","0.0206","","","0.0534","0.0549","","","","","","1.084","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500323","12.8612","0.0012","10.2716","0.0009","28.254","0.002","90","","112.5","0.004","90","","3448.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Ce N3 O11 -","- C34 H34 Ce N3 O11 -","- C136 H136 Ce4 N12 O44 -","4","1","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0433","0.0329","","","0.0916","0.0963","","","","","","1.076","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500324","12.9343","0.0007","8.2555","0.0004","24.1694","0.0013","90","","102.518","0.001","90","","2519.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O8 Tb -","- C26 H21 N O8 Tb -","- C104 H84 N4 O32 Tb4 -","4","1","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0435","0.0366","","","0.0864","0.09","","","","","","0.964","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500325","10.139","","17.804","","20.01","","90","","90","","90","","3612.1","","296","2","296","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C38 H33 La N2 O12 -","- C38 H33 La N2 O12 -","- C152 H132 La4 N8 O48 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.1502","0.0802","","","0.1766","0.2109","","","","","","1.004","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500326","17.7412","0.0008","19.8116","0.0007","10.0546","0.0003","90","","90","","90","","3534","0.2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H33 Eu N2 O12 -","- C38 H33 Eu N2 O12 -","- C152 H132 Eu4 N8 O48 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0493","0.0266","","","0.0513","0.0579","","","","","","1.024","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500327","10.04","","17.788","","19.786","","90","","90","","90","","3533.61","","296","2","296","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C38 H33 Gd N2 O12 -","- C38 H33 Gd N2 O12 -","- C152 H132 Gd4 N8 O48 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0749","0.0399","","","0.091","0.1093","","","","","","1.051","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500328","17.7423","0.0005","19.7457","0.0005","10.0389","0.0003","90","","90","","90","","3516.97","0.17","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H33 N2 O12 Tb -","- C38 H33 N2 O12 Tb -","- C152 H132 N8 O48 Tb4 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.029","0.0194","","","0.0439","0.0458","","","","","","0.945","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500329","21.989","0.008","13.251","0.005","11.174","0.004","90","","97.15","0.005","90","","3231","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O5 S2 Zn -","- C12 H6 N2 O5 S2 Zn -","- C96 H48 N16 O40 S16 Zn8 -","8","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.0832","0.0727","","","0.2088","0.2153","","","","","","1.153","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500330","8.33","0.004","10.652","0.006","12.045","0.006","69.424","0.006","76.87","0.007","79.897","0.007","969.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N3 O4 S2 Zn -","- C18 H12 N3 O4 S2 Zn -","- C36 H24 N6 O8 S4 Zn2 -","2","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.1434","0.1293","","","0.4124","0.4234","","","","","","1.742","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500331","7.9715","0.0018","11.701","0.003","15.038","0.003","72.375","0.003","82.931","0.003","75.442","0.003","1292.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 N4 O4 S2 Zn -","- C25 H20 N4 O4 S2 Zn -","- C50 H40 N8 O8 S4 Zn2 -","2","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.1032","0.0563","","","0.1391","0.1761","","","","","","0.941","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500332","21.328","0.006","13.794","0.006","22.592","0.008","90","","114.387","0.008","90","","6054","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cd N5 O5 S2 -","- C30 H26 Cd N5 O5 S2 -","- C240 H208 Cd8 N40 O40 S16 -","8","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.1127","0.076","","","0.2241","0.2619","","","","","","1.071","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500333","16.2439","0.0011","12.9649","0.0009","22.5736","0.0015","90","","106.404","0.001","90","","4560.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Cd2 N6 O15 S4 -","- C37 H40 Cd2 N6 O15 S4 -","- C148 H160 Cd8 N24 O60 S16 -","4","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.0433","0.032","","","0.0749","0.0813","","","","","","1.027","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500334","11.1121","0.0013","10.9483","0.0012","3.8187","0.0005","90","","90","","90","","464.58","0.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H4 Ag N3 -","- C3 H4 Ag N3 -","- C12 H16 Ag4 N12 -","4","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0253","0.0235","","","0.0623","0.0636","","","","","","1.079","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500335","7.1495","0.0004","8.1326","0.0004","9.5939","0.0005","90","","90","","90","","557.83","0.05","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 Ag N3 -","- C4 H6 Ag N3 -","- C16 H24 Ag4 N12 -","4","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0119","0.0119","","","0.0302","0.0302","","","","","","1.037","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500336","13.1876","0.001","21.3132","0.0015","11.7034","0.0008","90","","122.828","0.001","90","","2764.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Ag4 N12 O -","- C16 H26 Ag4 N12 O -","- C64 H104 Ag16 N48 O4 -","4","0.5","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0347","0.0284","","","0.0686","0.0726","","","","","","1.042","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500337","13.0358","0.0014","21.135","0.002","11.7194","0.0013","90","","122.184","0.001","90","","2732.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Ag4 N12 -","- C16 H24 Ag4 N12 -","- C64 H96 Ag16 N48 -","4","0.5","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.085","0.052","","","0.1144","0.1313","","","","","","1.048","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500338","12.9651","0.0008","21.4537","0.0014","11.7302","0.0007","90","","122.632","0.001","90","","2747.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 Ag4 Cl2 N12 -","- C17 H26 Ag4 Cl2 N12 -","- C68 H104 Ag16 Cl8 N48 -","4","0.5","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0315","0.0266","","","0.0663","0.0701","","","","","","1.008","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500339","11.9318","0.0006","21.3866","0.001","11.6563","0.0006","90","","113.844","0.001","90","","2720.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Ag4 N13 -","- C18 H27 Ag4 N13 -","- C72 H108 Ag16 N52 -","4","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0426","0.0284","","","0.0575","0.065","","","","","","1.024","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500340","13.625","0.0015","21.181","0.0016","11.9294","0.0011","90","","124.107","0.004","90","","2850.5","0.5","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Ag2 N6 -","- C10 H16 Ag2 N6 -","- C80 H128 Ag16 N48 -","8","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0434","0.0369","","","0.0829","0.0872","","","","","","1.046","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500341","19.381","0.003","11.5405","0.0015","21.545","0.003","90","","93.601","0.002","90","","4809.4","1.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(2-methoxy-5-phenyl-3-thienyl)perfluorocyclopentene (1a)","","- C27 H18 F6 O2 S2 -","- C27 H18 F6 O2 S2 -","- C216 H144 F48 O16 S16 -","8","2","","Kobatake, Seiya; Hasegawa, Hiroki; Miyamura, Kentaro","High-Convertible Photochromism of a Diarylethene Single Crystal Accompanying the Crystal Shape Deformation","Crystal Growth & Design","2011","11","4","1223","","10.1021/cg101448m","","","0.71073","MoKα","","0.0519","0.0335","","","0.082","0.0887","","","","","","1.007","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500342","16.2352","0.0016","10.4609","0.001","15.2238","0.0015","90","","112.103","0.002","90","","2395.5","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-dimethoxy-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^] pentadeca-4,6(7),11(12),13-tetraene (1b)","","- C27 H18 F6 O2 S2 -","- C27 H18 F6 O2 S2 -","- C108 H72 F24 O8 S8 -","4","1","","Kobatake, Seiya; Hasegawa, Hiroki; Miyamura, Kentaro","High-Convertible Photochromism of a Diarylethene Single Crystal Accompanying the Crystal Shape Deformation","Crystal Growth & Design","2011","11","4","1223","","10.1021/cg101448m","","","0.71073","MoKα","","0.0427","0.0325","","","0.0827","0.0886","","","","","","1.028","","","","has coordinates,has disorder","211399","2020-10-21","18:00:00",""
"4500343","9.272","0.002","10.852","0.003","11.186","0.003","87.315","0.006","72.896","0.006","69.683","0.006","1006.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N5 O6 Zn -","- C19 H17 N5 O6 Zn -","- C38 H34 N10 O12 Zn2 -","2","1","","Lee, Jhen-Yi; Chen, Chih-Yuan; Lee, Hon Man; Passaglia, Elisa; Vizza, Francesco; Oberhauser, Werner","Zinc Coordination Polymers with 2,6-Bis(imidazole-1-yl)pyridine and Benzenecarboxylate:Pseudo-Supramolecular Isomers with and without Interpenetration and Unprecedented Trinodal Topology","Crystal Growth & Design","2011","11","4","1230","","10.1021/cg101453m","","x-ray","0.71073","MoKα","","0.1264","0.0687","","","0.1669","0.1977","","","","","","1.024","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500344","6.5769","0.0011","10.8765","0.0018","15.686","0.003","98.094","0.005","101.276","0.003","96.389","0.004","1078.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N6 O5 Zn -","- C22 H20 N6 O5 Zn -","- C44 H40 N12 O10 Zn2 -","2","1","","Lee, Jhen-Yi; Chen, Chih-Yuan; Lee, Hon Man; Passaglia, Elisa; Vizza, Francesco; Oberhauser, Werner","Zinc Coordination Polymers with 2,6-Bis(imidazole-1-yl)pyridine and Benzenecarboxylate:Pseudo-Supramolecular Isomers with and without Interpenetration and Unprecedented Trinodal Topology","Crystal Growth & Design","2011","11","4","1230","","10.1021/cg101453m","","x-ray","0.71073","MoKα","","0.0806","0.051","","","0.1187","0.1316","","","","","","1.022","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500345","11.526","0.002","14.485","0.003","13.108","0.003","90","","95.727","0.004","90","","2177.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N5 O8 Zn2 -","- C20 H13 N5 O8 Zn2 -","- C80 H52 N20 O32 Zn8 -","4","1","","Lee, Jhen-Yi; Chen, Chih-Yuan; Lee, Hon Man; Passaglia, Elisa; Vizza, Francesco; Oberhauser, Werner","Zinc Coordination Polymers with 2,6-Bis(imidazole-1-yl)pyridine and Benzenecarboxylate:Pseudo-Supramolecular Isomers with and without Interpenetration and Unprecedented Trinodal Topology","Crystal Growth & Design","2011","11","4","1230","","10.1021/cg101453m","","x-ray","0.71073","MoKα","","0.1233","0.0678","","","0.1686","0.2047","","","","","","1.024","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500346","11.579","0.002","12.429","0.003","16.887","0.004","98.589","0.004","92.109","0.004","111.937","0.003","2217.7","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H144 Na4 O32 Ta4 -","- C60 H132 Na4 O32 Ta4 -","- C60 H132 Na4 O32 Ta4 -","1","0.5","","Nunes, Giovana G.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Crystal Engineering of Nanomorphology for Complex Oxide Materials via Thermal Decomposition of Metal−Organic Frameworks. Case Study of Sodium Tantalate","Crystal Growth & Design","2011","11","4","1238","","10.1021/cg101456w","","","0.71073","MoKα","","0.055","0.0537","","","0.1626","0.1656","","","","","","1.169","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500347","17.394","0.012","10.049","0.007","8.404","0.006","90","","90.18","0.008","90","","1468.9","1.8","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H60 Na O12 Ta -","- C30 Na O12 Ta -","- C60 Na2 O24 Ta2 -","2","0.25","","Nunes, Giovana G.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Crystal Engineering of Nanomorphology for Complex Oxide Materials via Thermal Decomposition of Metal−Organic Frameworks. Case Study of Sodium Tantalate","Crystal Growth & Design","2011","11","4","1238","","10.1021/cg101456w","","","0.71073","MoKα","","0.0312","0.0306","","","0.0767","0.0774","","","","","","1.372","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500348","9.3917","0.0011","14.1197","0.0016","15.313","0.0017","90","","90","","90","","2030.6","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H22 Co N4 O4 -","- C20 H22 Co N4 O4 -","- C80 H88 Co4 N16 O16 -","4","1","","Liu, Jian-Qiang; Huang, Yun-Sheng; Zhao, Ying-Yong; Jia, Zhen-Bin","Molecular Tectonics of Entangled Metal−Organic Frameworks Based on Different Conformational Carboxylates Mixed with a Flexible N,N′-Type Ligand","Crystal Growth & Design","2011","11","2","569","","10.1021/cg101461w","","","0.71073","MoKα","","0.0442","0.0375","","","0.099","0.106","","","","","","0.86","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500349","17.721","0.003","52.356","0.008","8.5857","0.0012","90","","90","","90","","7966","2","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C34 H54 Co2 N8 O11 -","- C34 H52 Co2 N8 O11 -","- C272 H416 Co16 N64 O88 -","8","0.5","","Liu, Jian-Qiang; Huang, Yun-Sheng; Zhao, Ying-Yong; Jia, Zhen-Bin","Molecular Tectonics of Entangled Metal−Organic Frameworks Based on Different Conformational Carboxylates Mixed with a Flexible N,N′-Type Ligand","Crystal Growth & Design","2011","11","2","569","","10.1021/cg101461w","","","0.71073","MoKα","","0.026","0.024","","","0.0595","0.0607","","","","","","1.054","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500350","8.4306","0.0004","10.866","0.0005","10.9357","0.0005","100.654","0.001","103.878","0.001","111.91","0.001","859.41","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Co N2 O5 -","- C16 H19 Co N2 O5 -","- C32 H38 Co2 N4 O10 -","2","1","","Liu, Jian-Qiang; Huang, Yun-Sheng; Zhao, Ying-Yong; Jia, Zhen-Bin","Molecular Tectonics of Entangled Metal−Organic Frameworks Based on Different Conformational Carboxylates Mixed with a Flexible N,N′-Type Ligand","Crystal Growth & Design","2011","11","2","569","","10.1021/cg101461w","","","0.71073","MoKα","","0.029","0.0264","","","0.0793","0.0803","","","","","","1.091","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500351","14.799","0.0003","15.7385","0.0003","19.0145","0.0005","90","","90","","90","","4428.74","0.17","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Dy2 N3 O16 -","- C18 H17 Dy2 N3 O16 -","- C144 H136 Dy16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0572","0.0277","","","0.0418","0.0439","","","","","","0.938","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500352","14.8594","0.0002","15.8477","0.0002","19.0553","0.0003","90","","90","","90","","4487.28","0.11","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Gd2 N3 O16 -","- C18 H17 Gd2 N3 O16 -","- C144 H136 Gd16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0292","0.0198","","","0.0444","0.0457","","","","","","0.95","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500353","14.8267","0.0007","15.7817","0.0003","19.0579","0.0007","90","","90","","90","","4459.4","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N3 O16 Tb2 -","- C18 H17 N3 O16 Tb2 -","- C144 H136 N24 O128 Tb16 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0328","0.0222","","","0.0477","0.0492","","","","","","0.921","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500354","14.8656","0.0016","15.9425","0.0018","19.175","0.002","90","","90","","90","","4544.4","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Eu2 N3 O16 -","- C18 H17 Eu2 N3 O16 -","- C144 H136 Eu16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0817","0.0404","","","0.0682","0.074","","","","","","0.969","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500355","14.7597","0.0005","15.7023","0.0006","18.9885","0.0009","90","","90","","90","","4400.8","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Ho2 N3 O16 -","- C18 H17 Ho2 N3 O16 -","- C144 H136 Ho16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0301","0.0192","","","0.034","0.0346","","","","","","1.004","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500356","13.358","0.004","22.436","0.007","33.343","0.01","90","","90.006","0.006","90","","9993","5","293","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","trimethyltin hydroxide","","","- C24 H72 O8 Sn8 -","- C24 H72 O8 Sn8 -","- C192 H576 O64 Sn64 -","8","4","","Anderson, Kirsty M.; Tallentire, Sarah E.; Probert, Michael R.; Goeta, Andrés E.; Mendis, Budhika G.; Steed, Jonathan W.","Trimethyltin Hydroxide: A Crystallographic and HighZ′ Curiosity","Crystal Growth & Design","2011","11","3","820","","10.1021/cg101464j","","","0.71073","MoKα","","0.3136","0.0681","","","0.2221","0.3569","","","","","","0.91","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500357","10.793","0.002","6.6883","0.0013","8.3828","0.0017","90","","90.13","0.003","90","","605.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Me3snoh","","","- C3 H10 O Sn -","- C3 H10 O Sn -","- C12 H40 O4 Sn4 -","4","1","","Anderson, Kirsty M.; Tallentire, Sarah E.; Probert, Michael R.; Goeta, Andrés E.; Mendis, Budhika G.; Steed, Jonathan W.","Trimethyltin Hydroxide: A Crystallographic and HighZ′ Curiosity","Crystal Growth & Design","2011","11","3","820","","10.1021/cg101464j","","","0.71073","MoKα","","0.0791","0.0387","","","0.0718","0.0819","","","","","","1.174","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500358","6.0867","0.0019","10.568","0.003","12.745","0.004","105.127","0.005","101.795","0.005","98.292","0.006","757.6","0.4","115","2","115","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Nishiguchi, Noriaki; Sato, Tomohiro; Kinuta, Takafumi; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Crystal Structures and Solid-State Optical Properties of Supramolecular Organic Fluorophore Composed of 1D Columnar Network Structure Consisting of Fluorescent 2-Naphthalenecarboxylic Acid","Crystal Growth & Design","2011","11","3","827","","10.1021/cg101480x","","","0.71073","MoKα","","0.0861","0.0708","","","0.1877","0.2039","","","","","","1.034","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500359","5.693","0.0005","9.1762","0.0008","30.95","0.003","90","","94.519","0.002","90","","1611.8","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Nishiguchi, Noriaki; Sato, Tomohiro; Kinuta, Takafumi; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Crystal Structures and Solid-State Optical Properties of Supramolecular Organic Fluorophore Composed of 1D Columnar Network Structure Consisting of Fluorescent 2-Naphthalenecarboxylic Acid","Crystal Growth & Design","2011","11","3","827","","10.1021/cg101480x","","","0.71073","MoKα","","0.0685","0.0584","","","0.1313","0.1367","","","","","","1.098","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500360","7.2024","0.0005","6.0955","0.0004","37.705","0.003","90","","90.524","0.001","90","","1655.3","0.2","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Nishiguchi, Noriaki; Sato, Tomohiro; Kinuta, Takafumi; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Crystal Structures and Solid-State Optical Properties of Supramolecular Organic Fluorophore Composed of 1D Columnar Network Structure Consisting of Fluorescent 2-Naphthalenecarboxylic Acid","Crystal Growth & Design","2011","11","3","827","","10.1021/cg101480x","","","0.71073","MoKα","","0.053","0.0457","","","0.1147","0.1192","","","","","","1.013","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500361","10.0243","0.001","16.3867","0.0018","9.0352","0.001","90","","90","","90","","1484.2","0.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H2 Br4 N2 S4 Tl -","- C6 H2 Br4 N2 S4 Tl -","- C24 H8 Br16 N8 S16 Tl4 -","4","0.5","","Fujita, Wataru; Takahashi, Kazuyuki; Kobayashi, Hayao","Structural and Magnetic Studies on Two-Dimensional Square Planar Lattice Magnets Composed of Organic Radical Cation Salts (Benzo[1,2-d:4,5-d′]Bis[1,3,2]dithiazolyl-2-zolium)·X (X = TlBr4, TlI4, and InI4)","Crystal Growth & Design","2011","11","2","575","","10.1021/cg101481c","","","0.7107","MoKα","","0.0432","0.0402","","","0.075","0.0759","","","","","","1.269","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500362","12.243","0.002","18.452","0.003","7.4456","0.0017","90","","90","","90","","1682","0.5","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H2 I4 N2 S4 Tl -","- C6 H2 I4 N2 S4 Tl -","- C24 H8 I16 N8 S16 Tl4 -","4","0.5","","Fujita, Wataru; Takahashi, Kazuyuki; Kobayashi, Hayao","Structural and Magnetic Studies on Two-Dimensional Square Planar Lattice Magnets Composed of Organic Radical Cation Salts (Benzo[1,2-d:4,5-d′]Bis[1,3,2]dithiazolyl-2-zolium)·X (X = TlBr4, TlI4, and InI4)","Crystal Growth & Design","2011","11","2","575","","10.1021/cg101481c","","","0.7107","MoKα","","0.0775","0.0664","","","0.1774","0.1847","","","","","","1.141","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500363","12.1161","0.0012","18.8319","0.0018","7.4905","0.0007","90","","90","","90","","1709.1","0.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H2 I4 In N2 S4 -","- C6 H2 I4 In N2 S4 -","- C24 H8 I16 In4 N8 S16 -","4","0.5","","Fujita, Wataru; Takahashi, Kazuyuki; Kobayashi, Hayao","Structural and Magnetic Studies on Two-Dimensional Square Planar Lattice Magnets Composed of Organic Radical Cation Salts (Benzo[1,2-d:4,5-d′]Bis[1,3,2]dithiazolyl-2-zolium)·X (X = TlBr4, TlI4, and InI4)","Crystal Growth & Design","2011","11","2","575","","10.1021/cg101481c","","","0.7107","MoKα","","0.0453","0.0389","","","0.0983","0.1006","","","","","","1.228","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500364","24.25","0.007","18.765","0.006","17.72","0.005","90","","107.673","0.004","90","","7683","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 N12 Nb10 Ni3 O30 -","- C60 H48 N12 Nb10 Ni3 O30 -","- C240 H192 N48 Nb40 Ni12 O120 -","4","0.5","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.0263","0.022","","","0.0595","0.0614","","","","","","1.039","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500365","14.139","0.003","14.16","0.003","24.201","0.005","80.884","0.003","89.686","0.003","89.727","0.003","4783.9","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H73 N14 Nb10 Ni3 O36.5 -","- C70 H56 N14 Nb10 Ni3 O36.5 -","- C140 H112 N28 Nb20 Ni6 O73 -","2","1","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.0553","0.0384","","","0.1031","0.1102","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500366","27.578","0.01","17.319","0.006","24.646","0.009","90","","121.555","0.006","90","","10031","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 N14 Nb10 Ni3 O36 -","- C84 H56 N14 Nb10 Ni3 O36 -","- C336 H224 N56 Nb40 Ni12 O144 -","4","0.5","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.1251","0.0577","","","0.1305","0.1653","","","","","","1.002","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500367","27.946","0.004","17.356","0.002","24.704","0.003","90","","121.284","0.002","90","","10240","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 N14 Nb10 O36 Zn3 -","- C84 H56 N14 Nb10 O36 Zn3 -","- C336 H224 N56 Nb40 O144 Zn12 -","4","0.5","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.1235","0.0526","","","0.1158","0.1493","","","","","","1.008","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500368","27.771","0.003","17.263","0.002","24.677","0.005","90","","121.158","0.002","90","","10124","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co3 N14 Nb10 O36 -","- C84 H56 Co3 N14 Nb10 O36 -","- C336 H224 Co12 N56 Nb40 O144 -","4","0.5","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.0484","0.036","","","0.1042","0.117","","","","","","1.004","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500369","7.2138","0.0012","8.3667","0.0015","8.8361","0.0013","99.826","0.013","113.825","0.01","110.721","0.011","424.55","0.15","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H6 N6 -","- C9 H6 N6 -","- C18 H12 N12 -","2","1","","Schubert, David M.; Natan, Daniel T.; Wilson, Duane C.; Hardcastle, Kenneth I.","Facile Synthesis and Structures of Cyclic Triimidazole and Its Boric Acid Adduct","Crystal Growth & Design","2011","11","3","843","850","10.1021/cg101489t","","","1.54178","CuKα","","0.0753","0.0551","","","0.1697","0.197","","","","","","1.092","","","","has coordinates","211066","2020-10-21","18:00:00",""
"4500370","7.5608","0.0003","7.5669","0.0005","15.8436","0.0008","84.504","0.003","81.269","0.003","87.038","0.003","891.18","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 N6 O0.5 -","- C9 H7 N6 O0.5 -","- C36 H28 N24 O2 -","4","2","","Schubert, David M.; Natan, Daniel T.; Wilson, Duane C.; Hardcastle, Kenneth I.","Facile Synthesis and Structures of Cyclic Triimidazole and Its Boric Acid Adduct","Crystal Growth & Design","2011","11","3","843","850","10.1021/cg101489t","","","1.54178","CuKα","","0.0482","0.0435","","","0.1163","0.1202","","","","","","1.046","","","","has coordinates","211066","2020-10-21","18:00:00",""
"4500371","10.1186","0.0003","10.1186","0.0003","6.3488","0.0004","90","","90","","120","","562.94","0.04","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C9 H9 B N6 O3 -","- C9 H9 B N6 O3 -","- C18 H18 B2 N12 O6 -","2","0.333333","","Schubert, David M.; Natan, Daniel T.; Wilson, Duane C.; Hardcastle, Kenneth I.","Facile Synthesis and Structures of Cyclic Triimidazole and Its Boric Acid Adduct","Crystal Growth & Design","2011","11","3","843","850","10.1021/cg101489t","","","1.54178","CuKα","","0.0298","0.0284","","","0.0798","0.081","","","","","","1.102","","","","has coordinates","211066","2020-10-21","18:00:00",""
"4500372","13.366","0.003","10.79","0.002","12.769","0.002","90","","93.432","0.004","90","","1838.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Ag B F4 N3 O3 -","- C17 H11 Ag B F4 N3 O3 -","- C68 H44 Ag4 B4 F16 N12 O12 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0744","0.0537","","","0.156","0.1776","","","","","","1.038","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500373","13.4694","0.0019","10.614","0.0015","12.6433","0.0019","90","","92.801","0.003","90","","1805.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Ag N4 O6 -","- C17 H11 Ag N4 O6 -","- C68 H44 Ag4 N16 O24 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.096","0.0469","","","0.1208","0.1528","","","","","","1.005","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500374","6.8745","0.0015","10.444","0.002","25.018","0.005","90","","91.677","0.004","90","","1795.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H24 Ag3 N9 O11 -","- C34 H24 Ag3 N9 O11 -","- C68 H48 Ag6 N18 O22 -","2","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0658","0.0434","","","0.0854","0.0964","","","","","","1.085","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500375","6.8378","0.0018","10.435","0.003","13.23","0.004","96.019","0.005","104.732","0.006","94.695","0.006","902.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H22 Ag2 F12 N6 O4 P2 -","- C34 H22 Ag2 F12 N6 O4 P2 -","- C34 H22 Ag2 F12 N6 O4 P2 -","1","0.5","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.091","0.0691","","","0.1761","0.1923","","","","","","1.044","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500376","8.2974","0.0013","8.4741","0.0012","13.966","0.002","100.676","0.003","94.563","0.003","104.608","0.003","925.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 Ag F3 N3 O4 -","- C19 H11 Ag F3 N3 O4 -","- C38 H22 Ag2 F6 N6 O8 -","2","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0531","0.045","","","0.1195","0.1283","","","","","","1.036","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500377","30.277","0.005","7.0619","0.0013","20.801","0.004","90","","117.585","0.003","90","","3942","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Ag2 F6 N6 O10 S2 -","- C36 H22 Ag2 F6 N6 O10 S2 -","- C144 H88 Ag8 F24 N24 O40 S8 -","4","0.5","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0478","0.0386","","","0.1011","0.1108","","","","","","1.031","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500378","9.399","0.004","9.791","0.005","12.087","0.006","93.867","0.009","102.894","0.008","108.332","0.009","1017.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Ag F5 N3 O4 -","- C20 H11 Ag F5 N3 O4 -","- C40 H22 Ag2 F10 N6 O8 -","2","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0529","0.0456","","","0.1219","0.1318","","","","","","1.04","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500379","7.1978","0.001","7.8299","0.0008","14.7824","0.0014","103.094","0.008","101.379","0.01","91.071","0.01","793.74","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Mn N6 O8 S2 -","- C28 H30 Mn N6 O8 S2 -","- C28 H30 Mn N6 O8 S2 -","1","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","1.54178","CuKα","","0.0865","0.075","","","0.2245","0.2667","","","","","","1.065","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500380","9.527","0.0005","11.2958","0.0007","12.2827","0.0008","64.411","0.006","84.523","0.005","74.411","0.005","1147.98","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Mn N10 O10 S2 -","- C48 H36 Mn N10 O10 S2 -","- C48 H36 Mn N10 O10 S2 -","1","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0648","0.0403","","","0.0911","0.0982","","","","","","0.853","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500381","28.6655","0.0009","13.4822","0.0005","15.6206","0.0006","90","","104.564","0.004","90","","5843","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H32 Mn N10 O14 S2 -","- C55 H32 Mn N10 O14 S2 -","- C220 H128 Mn4 N40 O56 S8 -","4","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","1.54178","CuKα","","0.1201","0.0859","","","0.2275","0.2611","","","","","","1.03","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500382","16.677","0.005","17.547","0.005","12.196","0.005","90","","126.616","0.005","90","","2864.6","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Cd I2 N4 O6.8 -","- C22 H14 Cd I2 N4 O7.2 -","- C88 H56 Cd4 I8 N16 O28.8 -","4","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0758","0.0558","","","0.1643","0.1739","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500383","15.2299","0.0015","10.8222","0.001","15.4087","0.0015","90","","116.394","0.002","90","","2274.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cd I2 N4 O4 -","- C22 H14 Cd I2 N4 O4 -","- C88 H56 Cd4 I8 N16 O16 -","4","1","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0372","0.0266","","","0.0627","0.0676","","","","","","1.081","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500384","5.885","0.005","11.267","0.005","12.9","0.005","68.083","0.005","87.642","0.005","82.567","0.005","786.8","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cd N6 O6 S2 -","- C28 H16 Cd N6 O6 S2 -","- C28 H16 Cd N6 O6 S2 -","1","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0831","0.0743","","","0.2171","0.2233","","","","","","1.054","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500385","18.3308","0.0011","22.5675","0.001","31.7435","0.0013","90","","90","","90","","13131.7","1.1","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C23 H14 Co0.5 N5 O7.5 S -","- C23 H14 Co0.5 N5 O7.5 S -","- C368 H224 Co8 N80 O120 S16 -","16","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","1.54178","CuKα","","0.0907","0.0829","","","0.2143","0.2188","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500386","7.932","0.005","11.356","0.005","14.605","0.005","78.961","0.005","80.467","0.005","79.776","0.005","1258.9","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 Cl6 Co N10 O8 S2 -","- C48 H30 Cl6 Co N10 O8 S2 -","- C48 H30 Cl6 Co N10 O8 S2 -","1","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0614","0.0376","","","0.0542","0.0567","","","","","","1.002","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500387","28.6844","0.0012","13.5805","0.0006","15.5499","0.0006","90","","104.672","0.004","90","","5859.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H32 Co N10 O17 S2 -","- C54 H32 Co N10 O17 S2 -","- C216 H128 Co4 N40 O68 S8 -","4","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.1504","0.1152","","","0.3494","0.3837","","","","","","1.067","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500388","12.581","0.003","12.583","0.003","17.046","0.003","90","","93.32","0.03","90","","2694","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Co N6 O8 -","- C27 H24 Co N6 O8 -","- C108 H96 Co4 N24 O32 -","4","1","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.051","0.0479","","","0.124","0.1265","","","","","","1.123","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500389","17.519","0.004","10.08","0.002","22.931","0.005","90","","98.72","0.03","90","","4002.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 Co3 N18 O20 -","- C72 H66 Co3 N18 O20 -","- C144 H132 Co6 N36 O40 -","2","0.5","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.0998","0.0836","","","0.1887","0.2011","","","","","","1.146","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500390","9.5435","0.0019","14.915","0.003","25.142","0.005","90","","97.06","0.03","90","","3551.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 Co3 N18 O18 -","- C72 H66 Co3 N18 O18 -","- C144 H132 Co6 N36 O36 -","2","0.5","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.0881","0.07","","","0.1343","0.1465","","","","","","1.188","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500391","9.5275","0.0019","14.861","0.003","25.048","0.005","90","","96.92","0.03","90","","3520.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 N18 Ni3 O18 -","- C72 H66 N18 Ni3 O18 -","- C144 H132 N36 Ni6 O36 -","2","0.5","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.1068","0.0834","","","0.1545","0.1678","","","","","","1.163","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500392","10.169","0.002","16.396","0.003","17.484","0.005","90","","119.24","0.02","90","","2543.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cu N6 O6 -","- C27 H20 Cu N6 O6 -","- C108 H80 Cu4 N24 O24 -","4","1","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.0808","0.072","","","0.1499","0.1552","","","","","","1.196","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500393","8.2582","0.0017","11.067","0.002","14.08","0.003","93.68","0.03","105.18","0.03","92.97","0.03","1236.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cu N6 O4 -","- C26 H20 Cu N6 O4 -","- C52 H40 Cu2 N12 O8 -","2","1","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.114","0.0863","","","0.1787","0.196","","","","","","1.16","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500394","6.0292","0.0002","3.8688","0.0001","25.3201","0.0008","90","","92.004","0.002","90","","590.25","0.03","153","2","153","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","4,4'-Dichlorobenzil","1,2-Bis(4-chlorophenyl)ethane-1,2-dione","","- C14 H8 Cl2 O2 -","- C14 H8 Cl2 O2 -","- C28 H16 Cl4 O4 -","2","0.5","","Felsmann, Marika; Eissmann, Frank; Schwarzer, Anke; Weber, Edwin","Competitive Interactions in the Crystal Structures of Benzils Effected by Different Halogen Substitution","Crystal Growth & Design","2011","11","4","982","","10.1021/cg101495f","","","0.71073","MoKα","","0.0389","0.0339","","","0.0799","0.082","","","","","","1.163","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500395","6.0063","0.0012","26.006","0.005","4.0378","0.0008","90","","90","","90","","630.7","0.2","93","2","93","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","4,4'-Dibromobenzil","1,2-Bis(4-bromophenyl)ethane-1,2-dione","","- C14 H8 Br2 O2 -","- C14 H8 Br2 O2 -","- C28 H16 Br4 O4 -","2","0.5","","Felsmann, Marika; Eissmann, Frank; Schwarzer, Anke; Weber, Edwin","Competitive Interactions in the Crystal Structures of Benzils Effected by Different Halogen Substitution","Crystal Growth & Design","2011","11","4","982","","10.1021/cg101495f","","","0.71073","MoKα","","0.0297","0.0243","","","0.0485","0.0496","","","","","","1.105","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500396","5.8782","0.0008","27.12","0.004","4.1474","0.0004","90","","90","","90","","661.17","0.15","153","2","153","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","4,4'-Diiodobenzil","1,2-Bis(4-iodophenyl)ethane-1,2-dione","","- C14 H8 I2 O2 -","- C14 H8 I2 O2 -","- C28 H16 I4 O4 -","2","0.5","","Felsmann, Marika; Eissmann, Frank; Schwarzer, Anke; Weber, Edwin","Competitive Interactions in the Crystal Structures of Benzils Effected by Different Halogen Substitution","Crystal Growth & Design","2011","11","4","982","","10.1021/cg101495f","","","0.71073","MoKα","","0.0232","0.023","","","0.0576","0.0577","","","","","","1.368","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500397","10.224","0.002","13.969","0.002","12.724","0.002","90","","98.996","0.002","90","","1794.9","0.5","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1RS,3SR,4RS)-1-Phenyl-cis-3,4-butano-1-hydro-2,5-benzoxazocine HCl, (1RS,3SR,4RS)-cis-3,4-butano-N-desmethylnefopam HCl","6-Phenyl-11,12-dihydro-6H-5oxa-12-azonia-dibenzo[a,e]cyclooctene hydrogenchloride","","- C20 H24 Cl N O -","- C20 H24 Cl N O -","- C80 H96 Cl4 N4 O4 -","4","2","","Steinberg, Avital; Ergaz, Itzhak; Toscano, Rubén Alfredo; Glaser, Robert","Crystallization of a Racemate Affords aP21Chiral Crystal Structure: Asymmetric Unit of Two Opposite Handed Molecules Simulates AchiralP21/nPacking via Pseudosymmetry","Crystal Growth & Design","2011","11","4","1262","","10.1021/cg1014994","","","0.71073","MoKα","","0.0279","0.0241","","","0.0596","0.0614","","","","","","1.015","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500398","10.036","0.005","19.177","0.01","7.628","0.004","90","","100.228","0.012","90","","1444.8","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(cyclopropylammonium).(terephthalate)","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.1332","0.086","","","0.2156","0.2489","","","","","","1.02","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500399","7.484","0.002","11.332","0.004","11.999","0.004","104.202","0.006","101.783","0.007","106.211","0.007","905.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(cyclobutylammonium).(terephthalate).(H2O)","","- C16 H26 N2 O5 -","- C16 H26 N2 O5 -","- C32 H52 N4 O10 -","2","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.1211","0.0689","","","0.197","0.2229","","","","","","1.106","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500400","10.2924","0.0016","6.3171","0.001","14.574","0.002","90","","106.009","0.011","90","","910.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(cyclopentylammonium).(terephthalate)","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.0657","0.0419","","","0.106","0.1137","","","","","","1.038","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500401","6.4126","0.0002","8.368","0.0003","28.9437","0.0008","95.534","0.002","90.51","0.002","96.869","0.002","1534.47","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(cyclohexylammonium)terepthalate with Disorder Model","","- C20 H32 N2 O4 -","- C20 H32 N2 O4 -","- C60 H96 N6 O12 -","3","1.5","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.1437","0.09","","","0.2697","0.3121","","","","","","1.073","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500402","11.121","0.001","6.2292","0.0005","16.302","0.0014","90","","102.8","0.004","90","","1101.26","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(cycloheptylammonium).(terephthalate)","","- C11 H18 N O2 -","- C11 H18 N O2 -","- C44 H72 N4 O8 -","4","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.0615","0.0469","","","0.1263","0.1355","","","","","","1.032","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500403","6.5205","0.0009","9.0147","0.0013","11.2738","0.0018","67.047","0.008","74.083","0.008","79.039","0.008","584.22","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(cyclooctylammonium).(terephthalate)","","- C12 H20 N O2 -","- C12 H20 N O2 -","- C24 H40 N2 O4 -","2","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.0687","0.0444","","","0.1234","0.1374","","","","","","0.806","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500404","5.4472","0.0001","8.6949","0.0002","16.5626","0.0005","94.434","0.002","93.198","0.002","97.775","0.001","773.17","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(cyclododecylammonium).(terephthalate)","","- C16 H28 N O2 -","- C16 H28 N O2 -","- C32 H56 N2 O4 -","2","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.0462","0.037","","","0.0979","0.103","","","","","","1.055","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500405","8.214","0.001","8.763","0.001","18.791","0.003","80.311","0.001","81.94","0.002","65.782","0.001","1212.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Ag I3 N4 S4 -","- C12 H20 Ag I3 N4 S4 -","- C24 H40 Ag2 I6 N8 S8 -","2","1","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0742","0.0429","","","0.1069","0.1231","","","","","","1.031","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500406","9.328","0.001","15.087","0.001","33.966","0.003","90","","90","","90","","4780.1","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Ag I3 N4 S4 -","- C12 H20 Ag I3 N4 S4 -","- C96 H160 Ag8 I24 N32 S32 -","8","1","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0405","0.0295","","","0.0668","0.0724","","","","","","1.022","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500407","11.382","0.003","9.242","0.003","11.923","0.004","90","","118.18","0.01","90","","1105.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ag2 I2 N4 S4 -","- C12 H20 Ag2 I2 N4 S4 -","- C24 H40 Ag4 I4 N8 S8 -","2","0.5","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0324","0.025","","","0.0634","0.066","","","","","","1.002","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500408","7.597","0.001","16.811","0.002","8.875","0.001","90","","96.872","0.005","90","","1125.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ag2 I2 N4 S4 -","- C12 H20 Ag2 I2 N4 S4 -","- C24 H40 Ag4 I4 N8 S8 -","2","0.5","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0331","0.0251","","","0.0637","0.0676","","","","","","1.016","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500409","8.338","0.001","9.352","0.001","9.884","0.001","104.497","0.001","107.909","0.002","102.916","0.002","671.19","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Ag2 I2 N2 S2 -","- C6 H10 Ag2 I2 N2 S2 -","- C12 H20 Ag4 I4 N4 S4 -","2","1","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0364","0.031","","","0.0749","0.0776","","","","","","1.004","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500410","9.423","0.002","14.624","0.003","11.374","0.003","90","","95.013","0.004","90","","1561.4","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H52 Cl N6 Ni O6.5 -","- C24 H51 Cl N6 Ni O6.5 -","- C48 H102 Cl2 N12 Ni2 O13 -","2","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.0551","0.0416","","","0.0934","0.1003","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500411","9.4346","0.0013","14.612","0.002","11.3735","0.0016","90","","95.137","0.002","90","","1561.6","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H53 Cl N6 Ni O7 -","- C24 H51 Cl N6 Ni O7 -","- C48 H102 Cl2 N12 Ni2 O14 -","2","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.0428","0.0369","","","0.0889","0.0927","","","","","","1.039","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500412","12.352","0.002","12.352","0.002","18.238","0.006","90","","90","","90","","2782.6","1.1","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H48 Cl N5 Ni O6 -","- C22 H48 Cl N5 Ni O6 -","- C88 H192 Cl4 N20 Ni4 O24 -","4","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.1027","0.0496","","","0.0891","0.1064","","","","","","0.992","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500413","12.3421","0.001","12.3421","0.001","18.221","0.003","90","","90","","90","","2775.6","0.6","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C22 H48 Cl N5 Ni O6 -","- C22 H48 Cl N5 Ni O6 -","- C88 H192 Cl4 N20 Ni4 O24 -","4","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.0813","0.0478","","","0.1237","0.1454","","","","","","0.994","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500414","13.0095","0.001","7.0463","0.0006","12.2219","0.0009","90","","115.814","0.001","90","","1008.57","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.0569","0.0421","","","0.1134","0.126","","","","","","1.046","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500415","14.118","0.003","9.424","0.002","7.8733","0.0018","90","","90.938","0.005","90","","1047.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.117","0.0612","","","0.1413","0.174","","","","","","1.047","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500416","4.371","0.002","13.193","0.004","20.695","0.005","90","","98.52","0.03","90","","1180.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C52 H56 N4 O12 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.1571","0.0483","","","0.1213","0.1557","","","","","","0.994","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500417","8.04","0.002","10.806","0.004","15.268","0.005","90","","117.533","0.019","90","","1176.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C52 H56 N4 O12 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.2265","0.0736","","","0.1847","0.2494","","","","","","0.933","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500418","4.389","0.004","15.488","0.001","17.215","0.004","90","","103.9","0.03","90","","1136","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C52 H56 N4 O12 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.0748","0.0343","","","0.0841","0.1008","","","","","","1.019","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500419","8.3457","0.0004","13.5238","0.0006","14.446","0.0007","101.971","0.004","90.161","0.004","93.658","0.004","1591.53","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline)","","- C35 H34 N2 O12 -","- C35 H34 N2 O12 -","- C70 H68 N4 O24 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.1085","0.0545","","","0.1407","0.1538","","","","","","0.885","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500420","8.3651","0.0004","13.7509","0.0005","14.4816","0.0004","90.155","0.003","102.153","0.003","95.522","0.003","1620.44","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.0753","0.0473","","","0.1094","0.1221","","","","","","1.009","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500421","5.1537","0.0003","16.5753","0.0013","16.4182","0.0012","102.806","0.007","96.918","0.006","95.858","0.006","1345.6","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), ethanol","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), ethanol","","- C28 H34 N2 O7 -","- C28 H34 N2 O7 -","- C56 H68 N4 O14 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.1148","0.0758","","","0.1989","0.2327","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500422","4.8205","0.0006","16.355","0.002","17.304","0.003","107.516","0.013","92.098","0.011","94.317","0.01","1294.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.1529","0.0781","","","0.1974","0.2503","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500423","8.2723","0.0007","8.5069","0.0005","18.6062","0.001","85.719","0.004","86.79","0.005","75.736","0.006","1264.48","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.0877","0.0577","","","0.1846","0.1952","","","","","","1.043","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500424","17.6","0.003","8.2122","0.0005","14.321","0.003","90","","132.78","0.03","90","","1519.2","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4,4'-Methylene bis(2,6-dimethylaniline)","4,4'-Methylene bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.118","0.0826","","","0.2998","0.3262","","","","","","1.191","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500425","8.255","0.002","9.132","0.002","11.431","0.003","93.69","0.02","110.27","0.02","108.08","0.02","754","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4,4'-Methylene bis(2,6-dimethylaniline)","4,4'-Methylene bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.0919","0.062","","","0.2146","0.2293","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500426","16.394","0.006","4.859","0.0015","18.591","0.007","90","","98.34","0.05","90","","1465.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Co N4 O2 -","- C14 H12 Co N4 O2 -","- C56 H48 Co4 N16 O8 -","4","0.5","","De la Pinta, Noelia; Fidalgo, M. Luz; Lezama, Luis; Madariaga, Gotzon; Callejo, Lorena; Cortés, Roberto","Ferromagnetic End-to-End Azides and Tetrahedral Cobalt: Unusual Findings in the M-BPA-Pseudohalide2System","Crystal Growth & Design","2011","11","4","1310","","10.1021/cg1015324","","","0.71069","MoKα","","0.1087","0.0357","","","","0.0669","","","","","","0.804","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500427","9.993","0.008","13.395","0.009","10.502","0.006","90","","106.04","0.06","90","","1351","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu N8 -","- C12 H12 Cu N8 -","- C48 H48 Cu4 N32 -","4","1","","De la Pinta, Noelia; Fidalgo, M. Luz; Lezama, Luis; Madariaga, Gotzon; Callejo, Lorena; Cortés, Roberto","Ferromagnetic End-to-End Azides and Tetrahedral Cobalt: Unusual Findings in the M-BPA-Pseudohalide2System","Crystal Growth & Design","2011","11","4","1310","","10.1021/cg1015324","","","0.71073","MoKα","","0.0943","0.0397","","","","0.1136","","","","","","1.004","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500428","10.2023","0.0004","16.4489","0.0007","7.4756","0.0003","90","","102.316","0.002","90","","1225.66","0.09","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Ca O10 -","- C9 H12 Ca O10 -","- C36 H48 Ca4 O40 -","4","1","","Borah, Ballav Moni; Dey, Sandeep Kumar; Das, Gopal","Crystal to Calcite: Fabrication of Pure Calcium Carbonate Polymorph in the Solid State","Crystal Growth & Design","2011","11","7","2773","","10.1021/cg101534n","","","0.71073","MoKα","","0.081","0.0731","","","0.2037","0.2096","","","","","","1.006","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500429","5.0255","0.0013","6.8219","0.0013","12.196","0.003","89.254","0.007","80.804","0.007","79.282","0.005","405.49","0.16","100","2","100","","","","","","","","see text","4","P -1","-P 1","2","4-(acetylamino)-benzoic acid","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71075","MoKα","","0.0502","0.0407","","","0.112","0.1177","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500430","11.662","0.001","9.4694","0.0008","7.3997","0.0006","90","","106.559","0.007","90","","783.27","0.12","100","2","100","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","1-Acetamido-4-methylbenzene","","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71075","MoKα","","0.0509","0.0401","","","0.0955","0.1008","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500431","5.0299","0.0002","6.831","0.0003","12.1945","0.0005","89.227","0.002","80.846","0.002","79.318","0.002","406.43","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","p-acetamidobenzoic acid","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71073","MoKα","","0.035","0.018","","","","0.042","0.022","","","","","1.161","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500432","3.876","0.0003","10.9298","0.0009","16.62","0.001","90","","93.383","0.004","90","","702.86","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","p-methoxy benzoic acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71073","MoKα","","0.037","0.018","","","","0.041","0.022","","","","","1.042","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500433","7.2832","0.0003","7.4255","0.0003","7.81","0.0003","96.067","0.002","108.353","0.002","117.701","0.002","338.6","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","p-methyl benzoic acid","","","- C8 H8 O2 -","- C8 H8 O2 -","- C16 H16 O4 -","2","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71073","MoKα","","0.034","0.021","","","","0.06","0.028","","","","","1.917","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500434","9.371","0.0009","7.7868","0.0008","19.53","0.002","90","","90","","90","","1425.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetanilide","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71073","MoKα","","0.067","0.025","","","","0.042","0.028","","","","","1.314","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500435","8.8802","0.0016","10.421","0.0018","35.019","0.006","90","","97.228","0.003","90","","3214.9","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Mg O8 -","- C14 H18 Mg O8 -","- C112 H144 Mg8 O64 -","8","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.8463","synchrotron","","0.1163","0.0894","","","0.2131","0.23","","","","","","1.032","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500436","11.8003","0.0004","7.1674","0.0002","15.7364","0.0005","90","","99.998","0.002","90","","1310.73","0.07","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 O5 Sr -","- C14 H12 O5 Sr -","- C56 H48 O20 Sr4 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0856","0.0582","","","0.1248","0.1375","","","","","","1.007","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500437","7.598","0.0003","12.9258","0.0005","30.7127","0.0014","90","","94.956","0.002","90","","3005","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Ba O6 -","- C14 H14 Ba O6 -","- C112 H112 Ba8 O48 -","8","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0573","0.035","","","0.0838","0.0988","","","","","","1.202","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500438","7.281","0.0005","6.6002","0.0004","14.6587","0.0009","90","","99.973","0.003","90","","693.79","0.08","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 F2 Mg O6 -","- C14 H12 F2 Mg O6 -","- C28 H24 F4 Mg2 O12 -","2","0.5","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.067","0.0547","","","0.1131","0.1191","","","","","","1.096","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500439","6.7231","0.0003","7.4076","0.0003","16.622","0.001","82.951","0.004","89.38","0.004","84.302","0.004","817.49","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17.48 F2 O8.74 Sr -","- C14 H14 F2 O8.74 Sr -","- C28 H28 F4 O17.48 Sr2 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0886","0.0814","","","0.2213","0.2265","","","","","","1.047","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500440","10.3942","0.0005","7.7929","0.0005","16.1632","0.001","90","","103.679","0.004","90","","1272.1","0.13","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H8 Ba F2 O4 -","- C14 H8 Ba F2 O4 -","- C56 H32 Ba4 F8 O16 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0449","0.0393","","","0.1058","0.1113","","","","","","1.06","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500441","39.806","0.0018","10.387","0.0005","8.848","0.0004","90","","91.039","0.002","90","","3657.7","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl2 Mg O8 -","- C14 H16 Cl2 Mg O8 -","- C112 H128 Cl16 Mg8 O64 -","8","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1489","0.0637","","","0.085","0.1075","","","","","","1.089","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500442","6.5797","0.0009","34.867","0.005","7.1797","0.0011","90","","93.184","0.005","90","","1644.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 Ca Cl2 O7 -","- C14 H14 Ca Cl2 O7 -","- C56 H56 Ca4 Cl8 O28 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1004","0.0706","","","0.175","0.2015","","","","","","1.069","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500443","6.78","0.0002","7.5071","0.0002","17.5087","0.0005","81.9304","0.0014","89.785","0.0015","83.9229","0.0016","877.32","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 O8 Sr -","- C14 H16 Cl2 O8 Sr -","- C28 H32 Cl4 O16 Sr2 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0606","0.0555","","","0.1328","0.1353","","","","","","1.202","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500444","7.0487","0.0005","7.6124","0.0005","17.3085","0.0014","80.425","0.006","89.215","0.006","82.281","0.006","907.46","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Ba Cl2 O8 -","- C14 H16 Ba Cl2 O8 -","- C28 H32 Ba2 Cl4 O16 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0662","0.0604","","","0.1536","0.1569","","","","","","1.03","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500445","6.607","0.002","13.075","0.003","18.444","0.004","90","","90","","90","","1593.3","0.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Ca N2 O6 -","- C14 H16 Ca N2 O6 -","- C56 H64 Ca4 N8 O24 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1372","0.0932","","","0.2044","0.2358","","","","","","1.086","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500446","33.755","0.002","12.908","0.002","7.542","0.002","90","","96.02","0.02","90","","3268","1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16.9 Ba N2 O6.45 -","- C14 H16 Ba N2 O6.45 -","- C112 H128 Ba8 N16 O51.6 -","8","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.7107","MoKα","","0.047","0.0303","","","0.0691","0.0769","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500447","13.8735","0.0006","14.1004","0.0005","14.0354","0.0006","86.534","0.002","62.119","0.002","62.583","0.002","2111.94","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Mg N2 O16 -","- C14 H24 Mg N2 O16 -","- C56 H96 Mg4 N8 O64 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0921","0.0454","","","0.111","0.135","","","","","","1.03","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500448","15.093","0.002","9.949","0.0005","15.713","0.002","90","","94.767","0.002","90","","2351.3","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 Ca N2 O17 -","- C14 H26 Ca N2 O17 -","- C56 H104 Ca4 N8 O68 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0774","0.046","","","0.0825","0.0956","","","","","","1.064","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500449","6.6527","0.0006","11.1343","0.001","31.494","0.003","90","","94.882","0.004","90","","2324.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 N2 O17 Sr -","- C14 H26 N2 O17 Sr -","- C56 H104 N8 O68 Sr4 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1245","0.0541","","","0.0832","0.1063","","","","","","1.045","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500450","6.528","0.0002","10.657","0.0003","28.3021","0.0005","90","","91.156","0.001","90","","1968.55","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ba N2 O13 -","- C14 H18 Ba N2 O13 -","- C56 H72 Ba4 N8 O52 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0573","0.0316","","","0.0534","0.0595","","","","","","1.003","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500451","9.2329","0.0002","10.039","0.0003","15.686","0.0005","101.056","0.001","98.483","0.002","99.498","0.002","1383.06","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Ba O7 -","- C14 H12 Ba O7 -","- C56 H48 Ba4 O28 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0421","0.0253","","","0.0436","0.0477","","","","","","1.035","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500452","5.2497","0.0005","7.6168","0.0008","11.7111","0.0013","81.763","0.004","78.428","0.005","73.836","0.005","438.72","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Mg N2 O12 -","- C14 H16 Mg N2 O12 -","- C14 H16 Mg N2 O12 -","1","0.5","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0487","0.0369","","","0.0896","0.0956","","","","","","1.065","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500453","7.7232","0.0002","10.1673","0.0003","11.1947","0.0003","81.353","0.001","82.231","0.002","89.441","0.002","861.03","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Ca N2 O10 -","- C14 H12 Ca N2 O10 -","- C28 H24 Ca2 N4 O20 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0408","0.0294","","","0.0633","0.0674","","","","","","1.05","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500454","4.0818","0.0003","31.856","0.002","6.8","0.004","90","","94.378","0.003","90","","881.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N2 O12 Sr -","- C14 H16 N2 O12 Sr -","- C28 H32 N4 O24 Sr2 -","2","0.5","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0976","0.0721","","","0.1605","0.1727","","","","","","1.172","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500455","8.2858","0.0002","8.3482","0.0001","13.8501","0.0003","80.492","0.001","85.986","0.001","71.065","0.001","893.6","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Ba N2 O11 -","- C14 H14 Ba N2 O11 -","- C28 H28 Ba2 N4 O22 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0174","0.015","","","0.0329","0.0336","","","","","","1.113","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500456","14.9499","0.0006","8.8062","0.0004","22.3285","0.0009","90","","104.359","0.003","90","","2847.8","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Ca N2 O6.5 -","- C14 H13 Ca N2 O6.5 -","- C112 H104 Ca8 N16 O52 -","8","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1066","0.0465","","","0.0807","0.0988","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500457","15.146","0.001","9.022","0.0006","22.492","0.001","90","","105.794","0.001","90","","2957.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N2 O6.5 Sr -","- C14 H13 N2 O6.5 Sr -","- C112 H104 N16 O52 Sr8 -","8","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0938","0.0476","","","0.0762","0.0885","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500458","13.02","0.0004","4.322","0.0001","15.3326","0.0005","90","","104.74","0.001","90","","834.41","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 Ba N2 O9 -","- C14 H18 Ba N2 O9 -","- C28 H36 Ba2 N4 O18 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71069","MoKα","","0.0313","0.0243","","","0.0416","0.0444","","","","","","1.071","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500459","10.278","0.0004","12.0006","0.0003","21.9936","0.0006","90","","95.19","0.003","90","","2701.62","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Br4 N4 O4 S -","- C21 H26 Br4 N4 O4 S -","- C84 H104 Br16 N16 O16 S4 -","4","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0709","0.0491","","","0.1446","0.1748","","","","","","1.012","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500460","15.8417","0.0006","15.8417","0.0006","19.1079","0.0013","90","","90","","90","","4795.3","0.4","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C17.5 H22 Br4 N2 O5.5 S -","- C17.5 H16 Br4 N2 O5.5 S -","- C140 H128 Br32 N16 O44 S8 -","8","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0797","0.0618","","","0.1717","0.1884","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500461","10.3884","0.0004","11.4896","0.0003","21.6902","0.0006","90","","94.662","0.003","90","","2580.35","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl4 N4 O4 S -","- C21 H26 Cl4 N4 O4 S -","- C84 H104 Cl16 N16 O16 S4 -","4","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0779","0.0501","","","0.14","0.1467","","","","","","1.112","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500462","15.543","0.003","15.543","0.003","19.21","0.005","90","","90","","90","","4640.8","1.8","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C17.5 H22 Cl4 N2 O5.5 S -","- C17.5 H16 Cl4 N2 O5.5 S -","- C140 H128 Cl32 N16 O44 S8 -","8","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0604","0.0541","","","0.1673","0.1819","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500463","13.658","0.003","9.837","0.002","13.586","0.003","90","","92.64","0.03","90","","1823.4","0.7","200","0.2","200","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ca2 N2 O11 -","- C14 H12 Ca2 N2 O11 -","- C56 H48 Ca8 N8 O44 -","4","0.5","","Kim, Min Kyung; Bae, Kyung-Lyul; Ok, Kang Min","From Pincers to Steps: Synthesis, Structure, Characterization, and Transformation of a New Helical Calcium−Organic Framework, Ca[NC5H3(CO2)2](H2O)1.5","Crystal Growth & Design","2011","11","4","930","","10.1021/cg101558e","","","0.71073","MoKα","","0.1128","0.0497","","","0.0906","0.1394","","","","","","1.152","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500464","5.8693","0.0012","17.848","0.004","9.897","0.002","90","","98.62","0.03","90","","1025.1","0.4","200","0.2","200","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Ca N O7 -","- C7 H9 Ca N O7 -","- C28 H36 Ca4 N4 O28 -","4","1","","Kim, Min Kyung; Bae, Kyung-Lyul; Ok, Kang Min","From Pincers to Steps: Synthesis, Structure, Characterization, and Transformation of a New Helical Calcium−Organic Framework, Ca[NC5H3(CO2)2](H2O)1.5","Crystal Growth & Design","2011","11","4","930","","10.1021/cg101558e","","","0.71073","MoKα","","0.0769","0.0442","","","0.0927","0.1163","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500465","11.967","0.0003","11.967","0.0003","28.6669","0.0007","90","","90","","90","","4105.36","0.18","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C18 H11 Ag4 N O8 -","- C18 H11 Ag4 N O8 -","- C144 H88 Ag32 N8 O64 -","8","0.5","","Sun, Di; Wei, Zhan-Hua; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Acetonitrile-Templated Assembly of a Laminar Silver(I) Phthalate Coordination Polymer","Crystal Growth & Design","2011","11","5","1427","","10.1021/cg101562p","","","0.71073","MoKα","","0.0399","0.033","","","0.0834","0.0865","","","","","","1.082","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500466","11.87","0.002","6.5949","0.0013","12.665","0.003","90","","108","0.03","90","","942.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag2 O5 -","- C8 H6 Ag2 O5 -","- C32 H24 Ag8 O20 -","4","1","","Sun, Di; Wei, Zhan-Hua; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Acetonitrile-Templated Assembly of a Laminar Silver(I) Phthalate Coordination Polymer","Crystal Growth & Design","2011","11","5","1427","","10.1021/cg101562p","","","0.71073","MoKα","","0.031","0.0293","","","0.0714","0.0756","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500467","13.144","0.003","13.454","0.003","31.573","0.006","90","","90","","90","","5583","2","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Temazepam","7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C256 H208 Cl16 N32 O32 -","16","2","","Jetti, Ram K. R.; Bhogala, Balakrishna R.; Gorantla, Asha R.; Karusula, Nageswara R.; Datta, Debashish","Structural and Thermodynamic Features of Three Stable Crystal Forms of Temazepam: A Sedative Drug","Crystal Growth & Design","2011","11","6","2039","","10.1021/cg1015675","","","0.71073","MoKα","","0.056","0.0452","","","0.0993","0.1054","","","","","","1.117","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500468","9.789","0.002","12.235","0.002","13.586","0.003","101.6","0.03","104.53","0.03","98.76","0.03","1507.3","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Temazepam","7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin- 2-one","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C64 H52 Cl4 N8 O8 -","4","2","","Jetti, Ram K. R.; Bhogala, Balakrishna R.; Gorantla, Asha R.; Karusula, Nageswara R.; Datta, Debashish","Structural and Thermodynamic Features of Three Stable Crystal Forms of Temazepam: A Sedative Drug","Crystal Growth & Design","2011","11","6","2039","","10.1021/cg1015675","","","0.71073","MoKα","","0.0935","0.0707","","","0.1932","0.2262","","","","","","1.063","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500469","7.227","0.003","23.701","0.011","3.6999","0.0016","90","","90","","90","","633.7","0.5","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H6 N O3.5 -","- C6 H6 N O3.5 -","- C24 H24 N4 O14 -","4","1","","Matias, Elisa P.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","A Robust yet Metastable New Hemihydrate of 4-Hydroxynicotinic Acid","Crystal Growth & Design","2011","11","7","2803","","10.1021/cg1015687","","","0.71073","MoKα","","0.0718","0.0465","","","0.1077","0.1188","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500470","25.117","0.011","26.607","0.012","17.479","0.008","90","","90","","90","","11681","9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H34 N6 O29 Zn7 -","- C44 H24 N6 O29 Zn7 -","- C176 H96 N24 O116 Zn28 -","4","1","","Ling, Yun; Chen, Zhenxia; Zheng, Hua; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Two Novel Zinc(II) Metal‒Organic Frameworks Based on Triazole-Carboxylate Shared Paddle-Wheel Units: Synthesis, Structure, and Gas Adsorption","Crystal Growth & Design","2011","11","7","2811","","10.1021/cg101569a","","","0.71073","MoKα","","0.1606","0.0851","","","0.2212","0.2728","","","","","","1.01","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500471","19.379","0.008","14.639","0.006","19.484","0.007","90","","116.046","0.006","90","","4966","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H39 N9 O27 Zn6 -","- C48 H30 N9 O27 Zn6 -","- C96 H60 N18 O54 Zn12 -","2","1","","Ling, Yun; Chen, Zhenxia; Zheng, Hua; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Two Novel Zinc(II) Metal‒Organic Frameworks Based on Triazole-Carboxylate Shared Paddle-Wheel Units: Synthesis, Structure, and Gas Adsorption","Crystal Growth & Design","2011","11","7","2811","","10.1021/cg101569a","","","0.71073","MoKα","","0.1056","0.0797","","","0.2406","0.2613","","","","","","1.035","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500472","9.5194","0.0007","13.0361","0.0009","31.562","0.002","80.674","0.006","85.783","0.005","68.813","0.006","3603.2","0.5","120","1","120","1","","","","","","","see text","4","P -1","-P 1","2","","2,2'-((9,9-butyl-9H-fluorene-2,7-diyl)bis(4,1 phenylene))bisbenzo[d]thiazole","","- C188 H140 N8 S8 -","- C188 H140 N8 S8 -","- C188 H140 N8 S8 -","1","0.5","","Dikundwar, Amol G.; Dutta, Gitish K.; Guru Row, Tayur N.; Patil, Satish","Polymorphism in Opto-Electronic Materials with a Benzothiazole-fluorene Core: A Consequence of High Conformational Flexibility of π-Conjugated Backbone and Alkyl Side Chains","Crystal Growth & Design","2011","11","5","1615","","10.1021/cg101579f","","x-ray","0.71073","MoKα","","0.2699","0.1691","","","0.4088","0.4643","","","","","","1.29","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500473","17.9801","0.0007","14.3419","0.0005","14.8689","0.0007","90","","109.381","0.005","90","","3617","0.3","120","1","120","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","2,2'-((9,9-butyl-9H-fluorene-2,7-diyl)bis(4,1 phenylene))bisbenzo[d]thiazole","","- C47 H40 N2 S2 -","- C47 H40 N2 S2 -","- C188 H160 N8 S8 -","4","1","","Dikundwar, Amol G.; Dutta, Gitish K.; Guru Row, Tayur N.; Patil, Satish","Polymorphism in Opto-Electronic Materials with a Benzothiazole-fluorene Core: A Consequence of High Conformational Flexibility of π-Conjugated Backbone and Alkyl Side Chains","Crystal Growth & Design","2011","11","5","1615","","10.1021/cg101579f","","x-ray","0.71073","MoKα","","0.093","0.0639","","","0.15","0.167","","","","","","1.061","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500474","16.2922","0.0008","17.2859","0.0008","17.3329","0.0006","88.728","0.003","66.285","0.004","80.992","0.004","4409.6","0.4","120","1","120","1","","","","","","","see text","4","P -1","-P 1","2","","2,2'-((octyl-9H-fluorene-2,7-diyl)bis(4,1 phenylene))bisbenzo[d]thiazole","","- C55 H56 N2 S2 -","- C55 H56 N2 S2 -","- C220 H224 N8 S8 -","4","2","","Dikundwar, Amol G.; Dutta, Gitish K.; Guru Row, Tayur N.; Patil, Satish","Polymorphism in Opto-Electronic Materials with a Benzothiazole-fluorene Core: A Consequence of High Conformational Flexibility of π-Conjugated Backbone and Alkyl Side Chains","Crystal Growth & Design","2011","11","5","1615","","10.1021/cg101579f","","x-ray","0.71073","MoKα","","0.159","0.0733","","","0.1089","0.1383","","","","","","0.933","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500475","8.2872","0.0004","14.9135","0.0009","17.9141","0.001","88.609","0.005","88.098","0.004","86.185","0.005","2207.4","0.2","295","1","295","1","","","","","","","see text","4","P -1","-P 1","2","","2,2'-((octyl-9H-fluorene-2,7-diyl)bis(4,1 phenylene))bisbenzo[d]thiazole","","- C55 H56 N2 S2 -","- C55 H56 N2 S2 -","- C110 H112 N4 S4 -","2","1","","Dikundwar, Amol G.; Dutta, Gitish K.; Guru Row, Tayur N.; Patil, Satish","Polymorphism in Opto-Electronic Materials with a Benzothiazole-fluorene Core: A Consequence of High Conformational Flexibility of π-Conjugated Backbone and Alkyl Side Chains","Crystal Growth & Design","2011","11","5","1615","","10.1021/cg101579f","","x-ray","0.71073","MoKα","","0.1163","0.0597","","","0.1051","0.1306","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500476","7.01","0.005","7.988","0.004","9.281","0.005","86.344","0.005","83.185","0.005","69.55","0.003","483.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Co N10 O8 -","- C14 H20 Co N10 O8 -","- C14 H20 Co N10 O8 -","1","0.5","","Mishra, Ashutosh Kumar; Kumar, Jitendra; Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures of Cobalt Coordination with Modified Adenine Nucleobase Containing Carboxyl Group Pendants","Crystal Growth & Design","2011","11","5","1623","","10.1021/cg101581g","","","0.71069","MoKα","","0.0911","0.0634","","","0.1495","0.2147","","","","","","1.18","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500477","7.937","0.003","12.11","0.004","12.301","0.004","90","","99.007","0.002","90","","1167.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9-carboxypropyladenine cobalt complex","","","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","- C32 H56 Co2 N20 O20 -","2","0.5","","Mishra, Ashutosh Kumar; Kumar, Jitendra; Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures of Cobalt Coordination with Modified Adenine Nucleobase Containing Carboxyl Group Pendants","Crystal Growth & Design","2011","11","5","1623","","10.1021/cg101581g","","","0.71073","MoKα","","0.0966","0.0536","","","0.1126","0.1763","","","","","","1.154","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500478","8.451","0.003","9.032","0.004","13.264","0.005","79.914","0.006","89.183","0.007","81.247","0.007","985.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Co N10 O5 -","- C17 H18 Co N10 O5 -","- C34 H36 Co2 N20 O10 -","2","1","","Mishra, Ashutosh Kumar; Kumar, Jitendra; Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures of Cobalt Coordination with Modified Adenine Nucleobase Containing Carboxyl Group Pendants","Crystal Growth & Design","2011","11","5","1623","","10.1021/cg101581g","","","0.71073","MoKα","","0.0858","0.0639","","","0.1664","0.2237","","","","","","1.104","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500479","3.7321","0.0001","7.7308","0.0002","12.0995","0.0004","77.092","0.002","85.07","0.002","76.459","0.002","330.607","0.017","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-chloro-4-fluoro benzoic acid","","","- C7 H4 Cl F O2 -","- C7 H4 Cl F O2 -","- C14 H8 Cl2 F2 O4 -","2","1","","Hathwar, Venkatesha R.; Guru Row, Tayur N.","Charge Density Analysis of Heterohalogen (Cl···F) and Homohalogen (F···F) Intermolecular Interactions in Molecular Crystals: Importance of the Extent of Polarizability","Crystal Growth & Design","2011","11","4","1338","","10.1021/cg1015862","","x-ray","0.71073","MoKα","","","0.012","","","","0.0306","0.0208","","","","","0.974","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500480","8.8715","0.0003","7.6301","0.0003","9.6077","0.0003","90","","92.576","0.002","90","","649.69","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-fluoro benzamide","","","- C7 H6 F N O -","- C7 H6 F N O -","- C28 H24 F4 N4 O4 -","4","1","","Hathwar, Venkatesha R.; Guru Row, Tayur N.","Charge Density Analysis of Heterohalogen (Cl···F) and Homohalogen (F···F) Intermolecular Interactions in Molecular Crystals: Importance of the Extent of Polarizability","Crystal Growth & Design","2011","11","4","1338","","10.1021/cg1015862","","x-ray","0.71073","MoKα","","","0.0193","","","","0.0451","0.022","","","","","1.167","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500481","10.3197","0.001","19.6947","0.0019","11.0388","0.0011","90","","112.798","0.002","90","","2068.3","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cu N5 O7 S -","- C17 H20 Cu N5 O7 S -","- C68 H80 Cu4 N20 O28 S4 -","4","1","","Kathalikkattil, Amal Cherian; Bisht, Kamal Kumar; Aliaga-Alcalde, Núria; Suresh, Eringathodi","Synthesis, Magnetic Properties, and Structural Investigation of Mixed-Ligand Cu(II) Helical Coordination Polymers with an Amino Acid Backbone and N-Donor Propping: 1-D Helical, 2-D Hexagonal Net (hcb), and 3-DinsTopologies","Crystal Growth & Design","2011","11","5","1631","","10.1021/cg101587h","","","0.71073","MoKα","","0.0956","0.0831","","","0.1619","0.1668","","","","","","1.281","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500482","23.234","0.006","5.1735","0.0012","11.294","0.003","90","","90","","90","","1357.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C11 H12 Cu N3 O5 -","- C11 H12 Cu N3 O5 -","- C44 H48 Cu4 N12 O20 -","4","1","","Kathalikkattil, Amal Cherian; Bisht, Kamal Kumar; Aliaga-Alcalde, Núria; Suresh, Eringathodi","Synthesis, Magnetic Properties, and Structural Investigation of Mixed-Ligand Cu(II) Helical Coordination Polymers with an Amino Acid Backbone and N-Donor Propping: 1-D Helical, 2-D Hexagonal Net (hcb), and 3-DinsTopologies","Crystal Growth & Design","2011","11","5","1631","","10.1021/cg101587h","","","0.71073","MoKα","","0.0888","0.0842","","","0.1778","0.18","","","","","","1.2","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500483","21.49","0.003","6.8822","0.001","7.8075","0.0011","90","","90","","90","","1154.7","0.3","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H7 Cu N2 O4 -","- C9 H7 Cu N2 O4 -","- C36 H28 Cu4 N8 O16 -","4","1","","Kathalikkattil, Amal Cherian; Bisht, Kamal Kumar; Aliaga-Alcalde, Núria; Suresh, Eringathodi","Synthesis, Magnetic Properties, and Structural Investigation of Mixed-Ligand Cu(II) Helical Coordination Polymers with an Amino Acid Backbone and N-Donor Propping: 1-D Helical, 2-D Hexagonal Net (hcb), and 3-DinsTopologies","Crystal Growth & Design","2011","11","5","1631","","10.1021/cg101587h","","","0.71073","MoKα","","0.0678","0.063","","","0.1439","0.146","","","","","","1.158","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500484","5.6238","0.0002","7.3489","0.0003","12.9709","0.0005","90.821","0.002","96.912","0.002","100.159","0.002","523.48","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","La-Sulfate","","","- C5 H5 La N O9 S2 -","- C5 H5 La N O9 S2 -","- C10 H10 La2 N2 O18 S4 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0163","0.0161","","","0.0438","0.0439","","","","","","1.141","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500485","5.0354","0.0001","7.0079","0.0001","16.6321","0.0003","88.5","","87.94","","75.47","","567.679","0.017","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Pr-Sulfate","","","- C5 H5 N O10 Pr S2 -","- C5 H5 N O10 Pr S2 -","- C10 H10 N2 O20 Pr2 S4 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0182","0.0175","","","0.0487","0.049","","","","","","1.12","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500486","8.0119","0.0005","9.4075","0.0006","14.9538","0.0009","79.439","0.001","83.749","0.001","73.988","0.001","1062.99","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Nd-Sulfate","","","- C10 H10 N2 Nd2 O18 S4 -","- C10 H10 N2 Nd2 O18 S4 -","- C20 H20 N4 Nd4 O36 S8 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0249","0.0215","","","0.0538","0.0551","","","","","","1.079","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500487","7.9585","0.0002","9.3752","0.0003","14.927","0.0004","79.327","0.002","83.927","0.002","73.83","0.002","1049.44","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm-Sulfate","","","- C10 H10 N2 O18 S4 Sm2 -","- C10 H10 N2 O18 S4 Sm2 -","- C20 H20 N4 O36 S8 Sm4 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0438","0.042","","","0.1141","0.1154","","","","","","1.042","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500488","7.937","0.0006","9.3612","0.0007","14.9214","0.001","79.348","0.001","83.996","0.001","73.777","0.001","1044.52","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Eu-Sulfate","","","- C10 H10 Eu2 N2 O18 S4 -","- C10 H10 Eu2 N2 O18 S4 -","- C20 H20 Eu4 N4 O36 S8 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0542","0.0534","","","0.14","0.1412","","","","","","1.085","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500489","16.3706","0.0008","16.3706","0.0008","22.5362","0.0014","90","","90","","120","","5230.5","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","Cu-Nitroisophthalate","","","- C9 H5 Cu N3 O6 -","- C9 H5 Cu N3 O6 -","- C162 H90 Cu18 N54 O108 -","18","1","","Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan","High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates","Crystal Growth & Design","2011","11","4","1357","","10.1021/cg1015934","","","0.71073","MoKα","","0.033","0.0278","","","0.0837","0.085","","","","","","1.107","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500490","10.0134","0.0002","6.5861","0.0002","11.4842","0.0003","90","","90.144","0.002","90","","757.37","0.03","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cu-Nitroisophthalate","","","- C9 H5 Cu2 N5 O10 -","- C9 H4 Cu2 N5 O10 -","- C18 H8 Cu4 N10 O20 -","2","0.5","","Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan","High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates","Crystal Growth & Design","2011","11","4","1357","","10.1021/cg1015934","","","0.71073","MoKα","","0.0596","0.0505","","","0.1233","0.1254","","","","","","1.237","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500491","6.4094","0.0015","14.857","0.004","16.066","0.005","90","","90","","90","","1529.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cu-Nitroisophthalate","","","- C9 H5 Cu2 N6 O10 -","- C9 H5 Cu2 N6 O10 -","- C36 H20 Cu8 N24 O40 -","4","1","","Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan","High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates","Crystal Growth & Design","2011","11","4","1357","","10.1021/cg1015934","","","0.71073","MoKα","","0.0656","0.049","","","0.1113","0.1216","","","","","","1.042","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500492","8.256","0.001","9.084","0.001","10.619","0.001","103.73","0.01","102.17","0.01","102.31","0.01","726.62","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N5 O6 -","- C13 H13 N5 O6 -","- C26 H26 N10 O12 -","2","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0352","0.0313","","","0.091","0.0955","","","","","","1.058","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500493","8.586","0.005","10.343","0.006","10.905","0.001","113.51","0.01","108.28","0.01","99.45","0.001","795.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N4 O7 -","- C13 H13 Cl N4 O7 -","- C26 H26 Cl2 N8 O14 -","2","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0679","0.0511","","","0.1409","0.1764","","","","","","1.14","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500494","6.385","0.001","7.828","0.001","14.914","0.002","104.36","0.01","100.1","0.01","93.24","0.01","707.03","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 F6 N8 O6 Si -","- C26 H26 F6 N8 O6 Si -","- C26 H26 F6 N8 O6 Si -","1","0.5","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.03","0.0278","","","0.0736","0.0755","","","","","","1.002","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500495","10.198","0.002","10.25","0.002","16.458","0.003","87.78","0.01","77.01","0.01","72.99","0.01","1602.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 F10 N9 O9 -","- C27 H21 F10 N9 O9 -","- C54 H42 F20 N18 O18 -","2","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0748","0.0439","","","0.0977","0.1115","","","","","","1.035","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500496","10.956","0.001","17.701","0.001","7.498","0.001","90","","90","","90","","1454.1","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H10 F5 N3 O3 -","- C14 H10 F5 N3 O3 -","- C56 H40 F20 N12 O12 -","4","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0252","0.0239","","","0.0609","0.0618","","","","","","1.036","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500497","7.789","0.001","18.282","0.002","18.558","0.002","90","","90","","90","","2642.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H14 F10 N6 O6 S -","- C24 H14 F10 N6 O6 S -","- C96 H56 F40 N24 O24 S4 -","4","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0393","0.0328","","","0.0713","0.0746","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500498","12.2939","0.0001","16.2197","0.0002","13.8075","0.0002","90","","95.703","0.001","90","","2739.63","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cd2 N8 O19 -","- C52 H48 Cd2 N8 O19 -","- C104 H96 Cd4 N16 O38 -","2","0.5","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0317","0.025","","","0.0811","0.083","","","","","","1.039","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500499","16.2998","0.0005","9.1813","0.0002","18.2724","0.0006","90","","113.5","0.004","90","","2507.72","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cd N4 O6 -","- C26 H24 Cd N4 O6 -","- C104 H96 Cd4 N16 O24 -","4","1","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0567","0.0332","","","0.0911","0.0963","","","","","","1.042","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500500","29.482","0.011","9.779","0.003","18.036","0.007","90","","101.689","0.006","90","","5092","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H28 N9 O13 S2 Zn2 -","- C51 H28 N9 O13 S2 Zn2 -","- C204 H112 N36 O52 S8 Zn8 -","4","0.5","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0763","0.0609","","","0.1451","0.1577","","","","","","1.099","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500501","12.341","0.0011","14.0421","0.0013","11.43","0.001","90","","96.641","0.005","90","","1967.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N3 O7 S Zn -","- C16 H12 N3 O7 S Zn -","- C64 H48 N12 O28 S4 Zn4 -","4","1","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0341","0.0309","","","0.0836","0.0858","","","","","","1.116","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500502","20.3856","0.0005","13.8293","0.0003","13.1563","0.0004","90","","103.632","0.003","90","","3604.52","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Cd2 N12 O14 -","- C62 H44 Cd2 N12 O14 -","- C124 H88 Cd4 N24 O28 -","2","0.25","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0553","0.0423","","","0.1808","0.185","","","","","","1.315","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500503","9.5894","0.0003","18.8609","0.0004","13.2876","0.0004","90","","106.102","0.003","90","","2308.98","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O6 Zn -","- C26 H18 N4 O6 Zn -","- C104 H72 N16 O24 Zn4 -","4","1","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0504","0.0333","","","0.0869","0.0911","","","","","","1","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500504","9.253","0.004","21.321","0.01","23.611","0.012","90","","90","","90","","4658","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H69 N7 O11 S -","- C37 H69 N7 O11 S -","- C148 H276 N28 O44 S4 -","4","1","","Duley, Anju; Nethaji, Munirathinam; Ramanathan, Gurunath","A Change in the 310- to α-Helical Transition Point in the Heptapeptides Containing Sulfur and Selenium","Crystal Growth & Design","2011","11","6","2238","","10.1021/cg101604g","","","0.71073","MoKα","","0.1641","0.0694","","","0.1322","0.1752","","","","","","0.942","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500505","11.939","0.002","16.031","0.003","24.64","0.003","90","","90","","90","","4716","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H73 N7 O13 Se -","- C37 H73 N7 O13 Se -","- C148 H292 N28 O52 Se4 -","4","1","","Duley, Anju; Nethaji, Munirathinam; Ramanathan, Gurunath","A Change in the 310- to α-Helical Transition Point in the Heptapeptides Containing Sulfur and Selenium","Crystal Growth & Design","2011","11","6","2238","","10.1021/cg101604g","","","0.71073","MoKα","","0.0822","0.0579","","","0.1207","0.1351","","","","","","1.008","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500506","22.41","0.002","9.218","0.003","23.588","0.002","90","","90","","90","","4872.7","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H71 N7 O11 S -","- C42 H71 N7 O11 S -","- C168 H284 N28 O44 S4 -","4","1","","Duley, Anju; Nethaji, Munirathinam; Ramanathan, Gurunath","A Change in the 310- to α-Helical Transition Point in the Heptapeptides Containing Sulfur and Selenium","Crystal Growth & Design","2011","11","6","2238","","10.1021/cg101604g","","","0.71073","MoKα","","0.0893","0.0598","","","0.1281","0.1601","","","","","","1.04","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500507","5.2586","0.0007","11.7922","0.0014","51.155","0.007","90","","90","","90","","3172.1","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3694-25-06 (209739)","","- C36 H42 N2 O6 -","- C36 H42 N2 O6 -","- C144 H168 N8 O24 -","4","1","","Bethune, Sarah J.; Schultheiss, Nate; Henck, Jan-Olav","Improving the Poor Aqueous Solubility of Nutraceutical Compound Pterostilbene through Cocrystal Formation","Crystal Growth & Design","2011","11","7","2817","","10.1021/cg1016092","","","0.71073","MoKα","","0.1713","0.0545","","","0.0948","0.1255","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500508","7.2644","0.0003","32.8801","0.0016","7.9819","0.0004","90","","96","0.002","90","","1896.07","0.15","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","213357 (3694-54-01)","","- C21 H24 O7 -","- C21 H24 O7 -","- C84 H96 O28 -","4","1","","Bethune, Sarah J.; Schultheiss, Nate; Henck, Jan-Olav","Improving the Poor Aqueous Solubility of Nutraceutical Compound Pterostilbene through Cocrystal Formation","Crystal Growth & Design","2011","11","7","2817","","10.1021/cg1016092","","","0.71073","MoKα","","0.066","0.0472","","","0.1224","0.1396","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500509","9.6721","0.0019","9.6817","0.0019","7.7419","0.0015","99.39","0.03","104.54","0.03","60.72","0.03","611.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Na O9 Zn -","- C9 H9.08 Na O9.04 Zn -","- C18 H18.16 Na2 O18.08 Zn2 -","2","1","","Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","6","2243","","10.1021/cg101610k","","","0.71073","MoKα","","0.0734","0.068","","","0.2192","0.23","","","","","","1.007","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500510","7.5112","0.0015","19.151","0.004","21.213","0.004","90","","93.42","0.03","90","","3046","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Na2 O24 Zn3 -","- C20 H24 Na2 O24 Zn3 -","- C80 H96 Na8 O96 Zn12 -","4","0.5","","Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","6","2243","","10.1021/cg101610k","","","0.71073","MoKα","","0.0842","0.0688","","","0.2245","0.2509","","","","","","1.008","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500511","7.9024","0.0016","9.3784","0.0019","9.7093","0.0019","61.65","0.03","71.6","0.03","80.38","0.03","600.8","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H17 Na O19 Zn3 -","- C19 H17 Na O19 Zn3 -","- C19 H17 Na O19 Zn3 -","1","1","","Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","6","2243","","10.1021/cg101610k","","","0.71073","MoKα","","0.035","0.0308","","","0.0798","0.0823","","","","","","1.002","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500512","7.3529","0.0015","19.332","0.004","16.542","0.003","90","","99","0.03","90","","2322.4","0.8","383","2","383","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Na2 O18 Zn3 -","- C20 H12 Na2 O18 Zn3 -","- C80 H48 Na8 O72 Zn12 -","4","0.5","","Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","6","2243","","10.1021/cg101610k","","","0.71073","MoKα","","0.1307","0.1041","","","0.2638","0.2817","","","","","","1.033","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500513","7.3847","0.0017","15.339","0.004","23.11","0.005","90","","90","","90","","2617.8","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Co O5 -","- C14 H10 Co O5 -","- C112 H80 Co8 O40 -","8","1","","Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.","Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels","Crystal Growth & Design","2011","11","7","2824","","10.1021/cg101618n","","","0.71073","MoKα","","0.0641","0.0476","","","0.1351","0.1513","","","","","","1.03","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500514","24.058","0.006","6.8774","0.0016","7.7918","0.0018","90","","90","","90","","1289.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H10 Co O5 -","- C14 H10 Co O5 -","- C56 H40 Co4 O20 -","4","1","","Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.","Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels","Crystal Growth & Design","2011","11","7","2824","","10.1021/cg101618n","","","0.71073","MoKα","","0.03","0.0249","","","0.0544","0.0569","","","","","","1.067","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500515","6.3985","0.0009","19.848","0.003","21.634","0.003","90","","90","","90","","2747.5","0.7","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H22 Co3 O12 -","- C28 H22 Co3 O12 -","- C112 H88 Co12 O48 -","4","0.5","","Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.","Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels","Crystal Growth & Design","2011","11","7","2824","","10.1021/cg101618n","","","0.71073","MoKα","","0.0225","0.0209","","","0.0506","0.0513","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500516","7.7688","0.0002","8.2084","0.0003","16.5067","0.0005","84.082","0.001","76.977","0.001","79.126","0.001","1005.11","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","2,2'-dithiobisbenzoic acid-2-mercaptobenzoic acid","2,2'-disulfanediyldibenzoic acid-2-sulfanylbenzoic acid","","- C21 H15 O6 S3 -","- C21 H15 O6 S3 -","- C42 H30 O12 S6 -","2","1","","Rowland, Clare E.; Cantos, Paula M.; Toby, Brian H.; Frisch, Mark; Deschamps, Jeffrey R.; Cahill, Christopher L.","Controlling Disulfide Bond Formation and Crystal Growth from 2-Mercaptobenzoic Acid","Crystal Growth & Design","2011","11","4","1370","","10.1021/cg101619y","","","0.71073","MoKα","","0.0772","0.0433","","","0.1076","0.1235","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500517","16.53569","0.00017","12.81311","0.00017","20.98335","0.00021","90","","104.888","0.0014","90","","4296.56","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2'-dithiobisbenzoic acid","2,2'-disulfanediyldibenzoic acid","","- C7 H5 O2 S -","- C7 H5 O2 S -","- C168 H120 O48 S24 -","24","3","","Rowland, Clare E.; Cantos, Paula M.; Toby, Brian H.; Frisch, Mark; Deschamps, Jeffrey R.; Cahill, Christopher L.","Controlling Disulfide Bond Formation and Crystal Growth from 2-Mercaptobenzoic Acid","Crystal Growth & Design","2011","11","4","1370","","10.1021/cg101619y","powder diffraction","x-ray","0.413541","","","","","","","","","0.16296","","","","","","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500518","7.579","0.003","6.4","0.002","31.984","0.006","90","","90","","90","","1551.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 Cd Cl N3 O2 -","- C4 H4 Cd Cl N3 O2 -","- C32 H32 Cd8 Cl8 N24 O16 -","8","2","","Dirtu, Marinela M.; Neuhausen, Christine; Naik, Anil D.; Léonard, Alexandre; Robert, Francois; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","Superlative Scaffold of 1,2,4-Triazole Derivative of Glycine Steering Linear Chain to a Chiral Helicate","Crystal Growth & Design","2011","11","4","1375","","10.1021/cg101634w","","","0.71073","MoKα","","0.0333","0.0226","","","0.0473","0.0488","","","","","","1.079","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500519","12.164","0.002","7.6685","0.0015","15.945","0.003","90","","101.51","0.03","90","","1457.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd Cl N6 O6 -","- C8 H8 Cd Cl N6 O6 -","- C32 H32 Cd4 Cl4 N24 O24 -","4","1","","Dirtu, Marinela M.; Neuhausen, Christine; Naik, Anil D.; Léonard, Alexandre; Robert, Francois; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","Superlative Scaffold of 1,2,4-Triazole Derivative of Glycine Steering Linear Chain to a Chiral Helicate","Crystal Growth & Design","2011","11","4","1375","","10.1021/cg101634w","","","0.71073","MoKα","","0.0548","0.0436","","","0.1134","0.1187","","","","","","1.037","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500520","7.719","0.0002","16.7675","0.0005","12.0414","0.0003","90","","99.798","0.001","90","","1535.77","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(cafH+).(fsu-)","caffeinium tetrafluorosuccinate","","- C12 H12 F4 N4 O6 -","- C12 H12 F4 N4 O6 -","- C48 H48 F16 N16 O24 -","4","1","","Friščić, Tomislav; Reid, David G.; Day, Graeme M.; Duer, Melinda J.; Jones, William","Effect of Fluorination on Molecular Conformation in the Solid State: Tuning the Conformation of Cocrystal Formers","Crystal Growth & Design","2011","11","4","972","","10.1021/cg1016388","","","0.71073","MoKα","","0.0693","0.0436","","","0.1037","0.115","","","","","","1.028","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500521","9.8232","0.0002","13.2644","0.0003","11.2546","0.0003","90","","112.692","0.001","90","","1352.95","0.06","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(caf)2.(Hfad)","caffeine:octafluoroadipic acid 2/1","","- C22 H22 F8 N8 O8 -","- C22 H22 F8 N8 O8 -","- C44 H44 F16 N16 O16 -","2","0.5","","Friščić, Tomislav; Reid, David G.; Day, Graeme M.; Duer, Melinda J.; Jones, William","Effect of Fluorination on Molecular Conformation in the Solid State: Tuning the Conformation of Cocrystal Formers","Crystal Growth & Design","2011","11","4","972","","10.1021/cg1016388","","","0.71073","MoKα","","0.06","0.0465","","","0.1343","0.1447","","","","","","1.069","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500522","10.6924","0.0002","11.6169","0.0002","22.441","0.0003","90","","90","","90","","2787.45","0.08","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hfsu.H2O","tetrafluorosuccinic acid monohydrate","","- C4 H4 F4 O5 -","- C4 H4 F4 O5 -","- C64 H64 F64 O80 -","16","2","","Friščić, Tomislav; Reid, David G.; Day, Graeme M.; Duer, Melinda J.; Jones, William","Effect of Fluorination on Molecular Conformation in the Solid State: Tuning the Conformation of Cocrystal Formers","Crystal Growth & Design","2011","11","4","972","","10.1021/cg1016388","","","0.71073","MoKα","","0.0653","0.0381","","","0.1032","0.1243","","","","","","1.13","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500523","7.7939","0.0019","12.52","0.003","29.982","0.007","90","","92.952","0.004","90","","2921.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Eu N4 O13 Zn -","- C26 H21 Eu N4 O13 Zn -","- C104 H84 Eu4 N16 O52 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.0579","0.0473","","","0.1023","0.108","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500524","7.794","0.003","12.535","0.005","30.012","0.012","90","","92.953","0.005","90","","2928","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N4 O13 Sm Zn -","- C26 H19 N4 O13 Sm Zn -","- C104 H76 N16 O52 Sm4 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.0597","0.0504","","","0.1099","0.1158","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500525","7.819","0.002","12.561","0.003","29.962","0.007","90","","92.663","0.005","90","","2939.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N4 Nd O13 Zn -","- C26 H19 N4 Nd O13 Zn -","- C104 H76 N16 Nd4 O52 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.0476","0.0396","","","0.0826","0.087","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500526","7.766","0.003","12.471","0.005","29.941","0.013","90","","93.191","0.008","90","","2895","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Dy N4 O13 Zn -","- C26 H19 Dy N4 O13 Zn -","- C104 H76 Dy4 N16 O52 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.1203","0.0848","","","0.1601","0.1792","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500527","7.747","0.0017","12.44","0.003","29.949","0.007","90","","93.328","0.004","90","","2881.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Er N4 O13 Zn -","- C26 H19 Er N4 O13 Zn -","- C104 H76 Er4 N16 O52 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.0466","0.0389","","","0.0898","0.0953","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500528","7.777","0.002","12.488","0.003","29.956","0.008","90","","93.123","0.004","90","","2905","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N4 O13 Tb Zn -","- C26 H19 N4 O13 Tb Zn -","- C104 H76 N16 O52 Tb4 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.063","0.0459","","","0.0987","0.1086","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500529","12.04226","0.00017","23.22101","0.00029","5.81899","0.00015","90","","90","","90","","1627.18","0.05","293","","293","","","","","","","","","4","P 21 n b","P -2bc 2a","33","","","","- C2 Ca O9 P -","- C2 Ca O9 P -","- C16 Ca8 O72 P8 -","8","2","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","powder diffraction","x-ray","1.5406","","","","","","","","","0.0924","","3.16","","","","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500530","29.7116","0.0004","8.84842","0.00009","11.31039","0.00009","90","","93.24","0.0008","90","","2968.76","0.06","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 Ca5 O30 P4 -","- C8 Ca5 O30 P4 -","- C32 Ca20 O120 P16 -","4","0.5","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","powder diffraction","x-ray","0.2998","","","","","","","","","0.13181","","4.02","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500531","10.11879","0.00025","8.5936","0.00019","6.07574","0.00016","90","","92.4396","0.0016","90","","527.85","0.02","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 Ca Li O6 P -","- C2 Ca Li O6 P -","- C8 Ca4 Li4 O24 P4 -","4","1","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","powder diffraction","x-ray","1.5406","","","","","","","","","0.08546","","1.48","","","","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500532","6.64","0.0007","8.7164","0.0009","11.5047","0.0012","76.174","0.001","89.574","0.001","75.524","0.001","625.07","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Ca4 Na2 O27 P4 -","- C8 H10 Ca4 Na2 O27 P4 -","- C8 H10 Ca4 Na2 O27 P4 -","1","0.5","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","","","0.71073","MoKα","","0.0585","0.056","","","0.1532","0.1545","","","","","","1.194","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500533","14.896","0.003","21.236","0.003","30.962","0.005","90","","90","","90","","9794","3","296","2","296","2","500000","","","","","","","5","P b c a","-P 2ac 2ab","61","dabcoHI hydarte","1,4-diazabicyclo[2.2.2]octanium iodide hydrate","","- C30 H75 I5 N10 O5 -","- C30 H73 I5 N10 O5 -","- C240 H584 I40 N80 O40 -","8","1","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Hydration of 1,4-Diazabicyclo[2.2.2]octane Hydroiodide (dabcoHI)","Crystal Growth & Design","2011","11","6","2250","","10.1021/cg101653x","","","0.71073","MoKα","","0.2167","0.1822","","","0.3019","0.3151","","","","","","1.421","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500534","10.731","0.0011","8.2648","0.0014","9.6593","0.0017","90","","90","","90","","856.7","0.2","296","2","296","2","1400000","","","","","","","5","P n m a","-P 2ac 2n","62","dabcoHI hydarte","1,4-diazabicyclo[2.2.2]octanium iodide hydrate","","- C6 H15 I N2 O -","- C6 H15 I N2 O -","- C24 H60 I4 N8 O4 -","4","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Hydration of 1,4-Diazabicyclo[2.2.2]octane Hydroiodide (dabcoHI)","Crystal Growth & Design","2011","11","6","2250","","10.1021/cg101653x","","","0.71073","MoKα","","0.044","0.0402","","","0.0914","0.0931","","","","","","1.226","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500535","14.76","0.003","7.3471","0.0015","14.823","0.003","90","","112.13","0.03","90","","1489","0.6","8184","","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C5 H15 Cl5 N2 O Re -","- C5 H15 Cl5 N2 O Re -","- C20 H60 Cl20 N8 O4 Re4 -","4","0.5","","Martínez-Lillo, José; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Faus, Juan; De Munno, Giovanni","Self-Assembled One- and Two-Dimensional Networks Based on NH2Me2[ReX5(DMF)] (X = Cl and Br) Species: Polymorphism and Supramolecular Isomerism in Re(IV) Compounds","Crystal Growth & Design","2011","11","5","1733","","10.1021/cg101658a","","","0.71073","MoKα","","0.0145","0.0136","","","0.0416","0.0423","","","","","","0.928","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500536","6.7652","0.0014","7.4345","0.0015","14.424","0.003","90","","100.63","0.03","90","","713","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H15 Cl5 N2 O Re -","- C5 H15 Cl5 N2 O Re -","- C10 H30 Cl10 N4 O2 Re2 -","2","0.5","","Martínez-Lillo, José; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Faus, Juan; De Munno, Giovanni","Self-Assembled One- and Two-Dimensional Networks Based on NH2Me2[ReX5(DMF)] (X = Cl and Br) Species: Polymorphism and Supramolecular Isomerism in Re(IV) Compounds","Crystal Growth & Design","2011","11","5","1733","","10.1021/cg101658a","","","0.71073","MoKα","","0.0433","0.0421","","","0.1217","0.1226","","","","","","1.081","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500537","28.5337","0.0015","7.679","0.0004","7.228","0.0004","90","","90","","90","","1583.73","0.15","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H15 Br5 N2 O Re -","- C5 H15 Br5 N2 O Re -","- C20 H60 Br20 N8 O4 Re4 -","4","0.5","","Martínez-Lillo, José; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Faus, Juan; De Munno, Giovanni","Self-Assembled One- and Two-Dimensional Networks Based on NH2Me2[ReX5(DMF)] (X = Cl and Br) Species: Polymorphism and Supramolecular Isomerism in Re(IV) Compounds","Crystal Growth & Design","2011","11","5","1733","","10.1021/cg101658a","","","0.71073","MoKα","","0.0529","0.0341","","","0.0823","0.0926","","","","","","1.061","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500538","15.034","0.003","17.99","0.004","13.818","0.003","90","","101.78","0.03","90","","3658.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Co3 N14 O8 -","- C30 H24 Co3 N14 O8 -","- C120 H96 Co12 N56 O32 -","4","0.5","","Yang, Qian; Zhang, Xiao-Feng; Zhao, Jiong-Peng; Hu, Bo-Wen; Bu, Xian-He","Cobalt(II)‒Azido Coordination Polymers with Dicarboxylate and Di(1H-imidazol-1-yl)methane Ligands Exhibiting Ferromagnetic Behaviors","Crystal Growth & Design","2011","11","7","2839","","10.1021/cg1016615","","","0.71073","MoKα","","0.117","0.0722","","","0.0866","0.0953","","","","","","1.173","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500539","10.134","0.002","10.554","0.002","10.689","0.002","99.81","0.03","103.32","0.03","118.2","0.03","927","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Co3 N14 O9 -","- C30 H26 Co3 N14 O9 -","- C30 H26 Co3 N14 O9 -","1","0.5","","Yang, Qian; Zhang, Xiao-Feng; Zhao, Jiong-Peng; Hu, Bo-Wen; Bu, Xian-He","Cobalt(II)‒Azido Coordination Polymers with Dicarboxylate and Di(1H-imidazol-1-yl)methane Ligands Exhibiting Ferromagnetic Behaviors","Crystal Growth & Design","2011","11","7","2839","","10.1021/cg1016615","","","0.71073","MoKα","","0.053","0.0381","","","0.0869","0.0923","","","","","","1.089","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500540","9.833","0.002","12.23","0.002","12.764","0.003","90","","95.47","0.03","90","","1528","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Co N7 O3 -","- C12 H14 Co N7 O3 -","- C48 H56 Co4 N28 O12 -","4","1","","Yang, Qian; Zhang, Xiao-Feng; Zhao, Jiong-Peng; Hu, Bo-Wen; Bu, Xian-He","Cobalt(II)‒Azido Coordination Polymers with Dicarboxylate and Di(1H-imidazol-1-yl)methane Ligands Exhibiting Ferromagnetic Behaviors","Crystal Growth & Design","2011","11","7","2839","","10.1021/cg1016615","","","0.71073","MoKα","","0.1033","0.065","","","0.096","0.106","","","","","","1.127","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500541","6.9718","0.0005","18.1744","0.0013","8.9804","0.0007","90","","96.357","0.001","90","","1130.89","0.14","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O11 Pb2 -","- C20 H22 O11 Pb2 -","- C40 H44 O22 Pb4 -","2","1","","Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu; Zhang, Ya-Nan; Shi, Qi-Zhen; Batten, Stuart R.","Two Unprecedented Three-Dimensional PbIIPolymorphs and Structural Diversities Built on a Kinked Flexible Dicarboxylate Building Block","Crystal Growth & Design","2011","11","4","936","","10.1021/cg101663a","","","0.71073","MoKα","","0.0374","0.0349","","","0.0767","0.0776","","","","","","1.006","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500542","9.1296","0.0008","10.226","0.0009","13.0963","0.0011","103.408","0.001","90.242","0.001","99.456","0.001","1172.03","0.18","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 O11 Pb2 -","- C20 H22 O11 Pb2 -","- C40 H44 O22 Pb4 -","2","1","","Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu; Zhang, Ya-Nan; Shi, Qi-Zhen; Batten, Stuart R.","Two Unprecedented Three-Dimensional PbIIPolymorphs and Structural Diversities Built on a Kinked Flexible Dicarboxylate Building Block","Crystal Growth & Design","2011","11","4","936","","10.1021/cg101663a","","","0.71073","MoKα","","0.0452","0.0318","","","0.0753","0.0784","","","","","","1.011","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500543","6.9383","0.0002","8.3245","0.0003","15.892","0.0006","97.13","","96.34","","91.74","","904.32","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H4 Co O20 P2 U2 -","- C4 H4 Co O20 P2 U2 -","- C8 H8 Co2 O40 P4 U4 -","2","1","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.0208","0.0191","","","0.0474","0.0481","","","","","","1.102","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500544","20.573","0.0013","9.4979","0.0006","13.3841","0.0009","90","","105.219","0.001","90","","2523.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Co O28 P2 U2 -","- C4 H4 Co O28 P2 U2 -","- C16 H16 Co4 O112 P8 U8 -","4","0.5","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.0297","0.0281","","","0.0795","0.0808","","","","","","1.08","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500545","9.3568","0.0009","9.5026","0.001","12.1282","0.0012","90","","103.912","0.001","90","","1046.73","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Co O22 P2 U2 -","- C4 H4 Co O22 P2 U2 -","- C8 H8 Co2 O44 P4 U4 -","2","0.5","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.021","0.0194","","","0.0519","0.0528","","","","","","1.102","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500546","11.1148","0.0005","15.6485","0.0007","18.8376","0.0008","90","","92.647","0.001","90","","3272.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Co0.5 O35.67 P2 U6 -","- C4 H4 Co0.5 O35.67 P2 U6 -","- C16 H16 Co2 O142.68 P8 U24 -","4","1","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.0602","0.0445","","","0.0962","0.1028","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500547","26.3861","0.0003","26.3861","0.0003","26.3861","0.0003","90","","90","","90","","18370.7","0.4","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C6 H42 Co2 O49 P3 U6 -","- C6 H6 Co2 O47.375 P3 U6 -","- C96 H96 Co32 O758 P48 U96 -","16","0.333333","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.0209","0.0176","","","0.042","0.0429","","","","","","1.076","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500548","20.159","0.003","18.84","0.003","21.336","0.003","90","","92.694","0.003","90","","8094","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 F24 Mn3 N2 O16 -","- C80 H60 F24 Mn3 N2 O16 -","- C320 H240 F96 Mn12 N8 O64 -","4","0.5","","Wang, Xiqu; Liu, Lumei; Conato, Marlon; Jacobson, Allan J.","Amine-Templated Anionic Metal‒Organic Frameworks with the 4,4′-(Hexafluoroisopropylidene) Bis(benzoic acid) Ligand","Crystal Growth & Design","2011","11","6","2257","","10.1021/cg1016752","","","0.71073","MoKα","","0.1358","0.0579","","","0.0915","0.1199","","","","","","1.001","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500549","19.9107","0.0008","18.7741","0.0008","25.054","0.001","90","","108.434","0.001","90","","8884.8","0.6","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H74 Co3 F24 N2 O16 -","- C84 H70 Co3 F24 N2 O16 -","- C336 H280 Co12 F96 N8 O64 -","4","0.5","","Wang, Xiqu; Liu, Lumei; Conato, Marlon; Jacobson, Allan J.","Amine-Templated Anionic Metal‒Organic Frameworks with the 4,4′-(Hexafluoroisopropylidene) Bis(benzoic acid) Ligand","Crystal Growth & Design","2011","11","6","2257","","10.1021/cg1016752","","","0.71073","MoKα","","0.053","0.0362","","","0.0958","0.1015","","","","","","1.027","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500550","13.4077","0.0008","25.5075","0.0016","13.7566","0.0009","90","","114.712","0.001","90","","4273.9","0.5","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H58 Co3 F24 N2 O16 -","- C81 H58 Co3 F24 N2 O16 -","- C162 H116 Co6 F48 N4 O32 -","2","0.5","","Wang, Xiqu; Liu, Lumei; Conato, Marlon; Jacobson, Allan J.","Amine-Templated Anionic Metal‒Organic Frameworks with the 4,4′-(Hexafluoroisopropylidene) Bis(benzoic acid) Ligand","Crystal Growth & Design","2011","11","6","2257","","10.1021/cg1016752","","","0.71073","MoKα","","0.0647","0.0379","","","0.0839","0.0923","","","","","","0.867","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500551","8.0552","0.0008","11.557","0.0011","10.2634","0.001","90","","107.105","0.002","90","","913.2","0.15","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 I2 N4 Se2 -","- C10 H16 I2 N4 Se2 -","- C20 H32 I4 N8 Se4 -","2","1","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.0375","0.0305","","","0.0523","0.0548","","","","","","0.957","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500552","11.207","0.002","8.1064","0.0016","30.386","0.006","90","","90","","90","","2760.5","0.9","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Br2 N2 Se -","- C11 H12 Br2 N2 Se -","- C88 H96 Br16 N16 Se8 -","8","1","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.0841","0.0417","","","0.1247","0.1856","","","","","","0.558","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500553","14.661","0.007","8.451","0.004","23.808","0.011","90","","94.135","0.009","90","","2942","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 I2 N2 Se -","- C11 H10 I2 N2 Se -","- C88 H80 I16 N16 Se8 -","8","2","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.1175","0.0717","","","0.1946","0.2197","","","","","","1.111","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500554","7.0137","0.0018","11.257","0.003","35.392","0.009","90","","90","","90","","2794.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Br2 N4 Se2 -","- C8 H12 Br2 N4 Se2 -","- C64 H96 Br16 N32 Se16 -","8","1","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.0947","0.0531","","","0.1542","0.1989","","","","","","0.688","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500555","10.514","0.005","10.655","0.005","12.295","0.006","97.351","0.009","112.286","0.008","113.523","0.008","1103.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","anderson","","","- C24 H20 Cr Mo6 N4 Na O36 -","- C24 H20 Cr Mo6 N4 Na O36 -","- C24 H20 Cr Mo6 N4 Na O36 -","1","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0521","0.0476","","","0.0997","0.1021","","","","","","1.136","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500556","10.5998","0.0012","11.8436","0.0014","13.1423","0.0016","102.363","0.002","111.815","0.003","107.759","0.002","1355","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","anderson","","","- C24 H20 Cr Mo6 N4 Ni O48 -","- C24 H20 Cr Mo6 N4 Ni O48 -","- C24 H20 Cr Mo6 N4 Ni O48 -","1","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0769","0.0647","","","0.1314","0.1383","","","","","","1.108","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500557","10.559","0.004","11.819","0.004","13.105","0.005","102.202","0.006","111.925","0.005","107.706","0.006","1344.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","anderson","","","- C24 H20 Cr Cu Mo6 N4 O46 -","- C24 H20 Cr Cu Mo6 N4 O46 -","- C24 H20 Cr Cu Mo6 N4 O46 -","1","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.1006","0.092","","","0.1806","0.1853","","","","","","1.225","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500558","22.084","0.003","9.4366","0.0011","21.011","0.003","90","","98.517","0.002","90","","4330.4","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","anderson","","","- C24 H20 Cr Mo6 N4 Na O34 -","- C24 H20 Cr Mo6 N4 Na O34 -","- C96 H80 Cr4 Mo24 N16 Na4 O136 -","4","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0429","0.0413","","","0.0851","0.0854","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500559","10.6636","0.0015","17.262","0.003","14.054","0.0019","90","","108.948","0.003","90","","2446.8","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","anderson","","","- C10 H6 Co2 Cr Mo6 N4 O49 -","- C10 H6 Co2 Cr Mo6 N4 O49 -","- C20 H12 Co4 Cr2 Mo12 N8 O98 -","2","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0595","0.0541","","","0.1171","0.1198","","","","","","1.178","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500560","10.8805","0.0017","17.084","0.003","13.59","0.002","90","","107.703","0.003","90","","2406.5","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","anderson","","","- C10 H6 Cr Cu2 Mo6 N4 O49 -","- C10 H6 Cr Cu2 Mo6 N4 O49 -","- C20 H12 Cr2 Cu4 Mo12 N8 O98 -","2","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0608","0.0431","","","0.1073","0.1171","","","","","","1.045","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500561","8.6671","0.0006","11.678","0.001","19.4868","0.0017","81.592","0.004","80.848","0.004","68.625","0.004","1804.9","0.3","230","2","230","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H32 N6 -","- C26 H32 N6 -","- C78 H96 N18 -","3","3","","Carrión, M. Carmen; Ortiz, Isabel M.; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Elguero, José","Ag(I) and Cu(I) [2 ×2] Chiral Grids Containing Pyrimidine Ligands with Camphor Moieties. Arene Encapsulation","Crystal Growth & Design","2011","11","5","1766","","10.1021/cg101709q","","","0.71073","MoKα","","0.1466","0.0713","","","0.167","0.2226","","","","","","0.962","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500562","29.141","0.002","29.141","0.002","17.527","0.003","90","","90","","90","","14884","3","180","2","180","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C130 H156 B4 Cu4 F16 N24 -","- C130 H156 B4 Cu4 F16 N24 -","- C520 H624 B16 Cu16 F64 N96 -","4","0.25","","Carrión, M. Carmen; Ortiz, Isabel M.; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Elguero, José","Ag(I) and Cu(I) [2 ×2] Chiral Grids Containing Pyrimidine Ligands with Camphor Moieties. Arene Encapsulation","Crystal Growth & Design","2011","11","5","1766","","10.1021/cg101709q","","","0.71073","MoKα","","0.1732","0.0712","","","0.1769","0.1956","","","","","","0.811","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500563","29.1306","0.001","29.1306","0.001","18.2305","0.0013","90","","90","","90","","15470.3","1.3","180","2","180","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C118 H142 Ag4 B4 F16 N24 -","- C118 H142 Ag4 B4 F16 N24 -","- C472 H568 Ag16 B16 F64 N96 -","4","0.25","","Carrión, M. Carmen; Ortiz, Isabel M.; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Elguero, José","Ag(I) and Cu(I) [2 ×2] Chiral Grids Containing Pyrimidine Ligands with Camphor Moieties. Arene Encapsulation","Crystal Growth & Design","2011","11","5","1766","","10.1021/cg101709q","","","0.71073","MoKα","","0.113","0.0641","","","0.1508","0.1704","","","","","","0.896","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500564","12.9036","0.0005","11.9095","0.0003","22.3016","0.001","90","","91.791","0.004","90","","3425.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 Cu4 N10 O40 Si W12 -","- C35 H48 Cu4 N10 O40 Si W12 -","- C70 H96 Cu8 N20 O80 Si2 W24 -","2","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.1604","0.0582","","","0.1212","0.1477","","","","","","0.874","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500565","22.254","0.005","11.464","0.005","23.344","0.005","90","0.005","90","0.005","90","0.005","5956","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Cu4 N8 O40 Si W12 -","- C24 H32 Cu4 N8 O40 Si W12 -","- C96 H128 Cu16 N32 O160 Si4 W48 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.1174","0.0694","","","0.1658","0.1838","","","","","","0.997","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500566","24.8","0.005","11.392","0.005","25.025","0.005","90","0.005","116.474","0.005","90","0.005","6329","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu4 N8 O42 Si W12 -","- C24 H32 Cu4 N8 O42 Si W12 -","- C96 H128 Cu16 N32 O168 Si4 W48 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71069","MoKα","","0.0824","0.0389","","","0.0789","0.0872","","","","","","0.892","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500567","12.6564","0.0005","22.9398","0.001","24.7425","0.0009","90","","99.04","0.003","90","","7094.4","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 Cu4 N8 O41 Si W12 -","- C32 H48 Cu4 N8 O41 Si W12 -","- C128 H192 Cu16 N32 O164 Si4 W48 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.086","0.0382","","","0.0656","0.0703","","","","","","0.735","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500568","23.4725","0.0007","12.0745","0.0003","23.1288","0.0007","90","","112.811","0.004","90","","6042.4","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H35 Cu4 Mo12 N8 O41.5 P -","- C24 H32 Cu4 Mo12 N8 O41.5 P -","- C96 H128 Cu16 Mo48 N32 O166 P4 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.092","0.0416","","","0.0867","0.0964","","","","","","0.859","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500569","17.592","0.005","22.091","0.005","15.733","0.005","90","0.005","90","0.005","90","0.005","6114","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H40 Cu3 Mo12 N8 O41 P -","- C28 H40 Cu3 Mo12 N8 O41 P -","- C112 H160 Cu12 Mo48 N32 O164 P4 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71069","MoKα","","0.125","0.0835","","","0.1684","0.1777","","","","","","1.155","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500570","12.8567","0.0004","11.8861","0.0003","22.4652","0.0007","90","","92.158","0.003","90","","3430.61","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cu4 Mo12 N10 O40 P -","- C35 H38 Cu4 Mo12 N10 O40 P -","- C70 H76 Cu8 Mo24 N20 O80 P2 -","2","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.1413","0.0586","","","0.1482","0.1745","","","","","","0.844","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500571","10.049","0.002","15.041","0.003","20.708","0.004","101.561","0.002","93.894","0.003","105.461","0.003","2931","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Zn(bdc)L1]","","","- C28 H16 N2 O4 Zn -","- C28 H16 N2 O4 Zn -","- C112 H64 N8 O16 Zn4 -","4","2","","Yamada, Teppei; Iwakiri, Shoji; Hara, Takafumi; Kanaizuka, Katsuhiko; Kurmoo, Mohamedally; Kitagawa, Hiroshi","Porous Interpenetrating Metal−Organic Frameworks with Hierarchical Nodes","Crystal Growth & Design","2011","11","5","1798","","10.1021/cg1017278","","","0.71073","MoKα","","0.1065","0.0879","","","0.2144","0.2215","","","","","","1.09","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500572","27.406","0.004","14.461","0.002","25.124","0.004","90","","94.255","0.002","90","","9930","3","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[Zn3(bpdc)3L1]","","","- C24 H14 N O4 Zn -","- C19.5789 H11.3684 N0.631579 O3.78947 Zn0.947368 -","- C372 H216 N12 O72 Zn18 -","19","4.75","","Yamada, Teppei; Iwakiri, Shoji; Hara, Takafumi; Kanaizuka, Katsuhiko; Kurmoo, Mohamedally; Kitagawa, Hiroshi","Porous Interpenetrating Metal−Organic Frameworks with Hierarchical Nodes","Crystal Growth & Design","2011","11","5","1798","","10.1021/cg1017278","","","0.71073","MoKα","","0.1476","0.0991","","","0.283","0.3097","","","","","","1.048","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500573","17.83","","23.277","","24.071","","95.14","","90.32","","102.22","","9721.45","","293","2","100","2","","","","","","","","6","P -1","-P 1","2","[Zn2(sbpdc)2L1]","","","- C48 H24 N2 O12 S2 Zn2 -","- C288 H138 N12 O72 S12 Zn12 -","- C288 H138 N12 O72 S12 Zn12 -","1","0.5","","Yamada, Teppei; Iwakiri, Shoji; Hara, Takafumi; Kanaizuka, Katsuhiko; Kurmoo, Mohamedally; Kitagawa, Hiroshi","Porous Interpenetrating Metal−Organic Frameworks with Hierarchical Nodes","Crystal Growth & Design","2011","11","5","1798","","10.1021/cg1017278","","","0.71073","MoKα","","0.1031","0.0501","","","0.1218","0.1344","","","","","","0.829","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500574","13.8963","0.0017","23.221","0.003","18.872","0.002","90","","103.102","0.001","90","","5931.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Zn2(sbpdc)2(bpy)]","","","- C38 H20 N2 O12 S2 Zn2 -","- C38 H20 N2 O12 S2 Zn2 -","- C152 H80 N8 O48 S8 Zn8 -","4","1","","Yamada, Teppei; Iwakiri, Shoji; Hara, Takafumi; Kanaizuka, Katsuhiko; Kurmoo, Mohamedally; Kitagawa, Hiroshi","Porous Interpenetrating Metal−Organic Frameworks with Hierarchical Nodes","Crystal Growth & Design","2011","11","5","1798","","10.1021/cg1017278","","","0.71073","MoKα","","0.036","0.0295","","","0.075","0.0773","","","","","","1.075","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500575","13.488","0.006","24.834","0.013","8.409","0.004","90","","98.917","0.008","90","","2783","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O6 Zn -","- C31 H27 N3 O6 Zn -","- C124 H108 N12 O24 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.0699","0.0577","","","0.1155","0.1257","","","","","","1.015","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500576","13.187","0.008","24.889","0.018","8.666","0.005","90","","102.644","0.011","90","","2775","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H26 N2 O5 Zn -","- C31 H26 N2 O5 Zn -","- C124 H104 N8 O20 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.1055","0.0684","","","0.1595","0.2231","","","","","","1.065","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500577","12.934","0.005","24.97","0.003","8.715","0.004","90","","103.834","0.005","90","","2733","1.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H23 N3 O4 Zn -","- C30 H23 N3 O4 Zn -","- C120 H92 N12 O16 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.1697","0.0797","","","0.154","0.1942","","","","","","0.972","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500578","13.507","0.004","24.837","0.01","8.406","0.003","90","","98.841","0.005","90","","2786.5","1.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O5 Zn -","- C31 H27 N3 O5 Zn -","- C124 H108 N12 O20 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.0828","0.0584","","","0.1438","0.2191","","","","","","1.198","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500579","8.619","0.002","17.959","0.003","8.135","0.002","90","","110.828","0.014","90","","1176.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O9 Pr S -","- C7 H8 O9 Pr S -","- C28 H32 O36 Pr4 S4 -","4","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0498","0.0459","","","0.1206","0.1333","","","","","","1.217","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500580","8.591","0.002","17.914","0.003","8.1002","0.0018","90","","110.854","0.014","90","","1164.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Nd O9 S -","- C7 H8 Nd O9 S -","- C28 H32 Nd4 O36 S4 -","4","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0374","0.0358","","","0.1013","0.1032","","","","","","1.152","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500581","8.554","0.002","17.844","0.005","8.026","0.002","90","","110.587","0.003","90","","1146.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O9 S Sm -","- C7 H8 O9 S Sm -","- C28 H32 O36 S4 Sm4 -","4","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0445","0.0412","","","0.106","0.1191","","","","","","1.095","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500582","8.531","0.002","17.79","0.004","7.979","0.002","90","","110.334","0.004","90","","1135.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Gd O9 S -","- C7 H8 Gd O9 S -","- C28 H32 Gd4 O36 S4 -","4","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0395","0.0383","","","0.1074","0.1088","","","","","","1.151","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500583","19.2794","0.0014","9.8604","0.0005","12.4549","0.001","90","","106.871","0.004","90","","2265.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Dy O9 S -","- C7 H8 Dy O9 S -","- C56 H64 Dy8 O72 S8 -","8","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.042","0.0368","","","0.0923","0.0967","","","","","","1.117","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500584","19.25","0.02","9.796","0.009","12.388","0.013","90","","106.392","0.017","90","","2241","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Er O9 S -","- C7 H8 Er O9 S -","- C56 H64 Er8 O72 S8 -","8","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0681","0.0419","","","0.1251","0.1989","","","","","","1.049","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500585","11.338","0.006","13.308","0.007","20.793","0.008","93.411","0.008","92.971","0.008","98.712","0.008","3090","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C125 H156 N20 O17 P4 -","- C125 H156 N20 O17 P4 -","- C125 H156 N20 O17 P4 -","1","0.5","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1168","0.0762","","","0.1749","0.1936","","","","","","1.032","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500586","11.211","0.003","8.249","0.002","12.563","0.003","90","","102.41","0.03","90","","1134.7","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","1","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1125","0.0864","","","0.2748","0.2981","","","","","","1.143","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500587","8.271","0.001","11.522","0.001","12.058","0.001","101.27","0.01","96.38","0.01","100.33","0.01","1095.9","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","2","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.123","0.0862","","","0.2802","0.2915","","","","","","1.122","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500588","22.836","0.003","8.177","0.001","11.577","0.001","90","","94.29","0.002","90","","2155.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 N5 -","- C21 H37 N5 -","- C84 H148 N20 -","4","1","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1173","0.059","","","0.1427","0.1673","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500589","17.181","0.003","8.113","0.001","11.691","0.002","90","","107.45","0.02","90","","1554.6","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 N5 -","- C15 H23 N5 -","- C60 H92 N20 -","4","1","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.0764","0.053","","","0.1539","0.1647","","","","","","1.111","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500590","5.444","0.002","18.033","0.008","9.563","0.004","90","","99.228","0.008","90","","926.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.0747","0.0596","","","0.1196","0.1264","","","","","","1.128","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500591","8.32","0.001","11.292","0.001","24.911","0.002","102.669","0.006","91.003","0.005","91.806","0.006","2281.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N5 O3 P -","- C23 H24 N5 O3 P -","- C92 H96 N20 O12 P4 -","4","2","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1619","0.0745","","","0.1349","0.1745","","","","","","0.993","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500592","8.209","0.001","17.912","0.002","25.091","0.003","90","","103.615","0.004","90","","3585.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N5 O3 P -","- C15 H24 N5 O3 P -","- C120 H192 N40 O24 P8 -","8","2","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1187","0.0746","","","0.1532","0.175","","","","","","1.031","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500593","11.899","0.0006","12.712","0.0007","14.019","0.0007","67","0.005","72.669","0.004","79.114","0.004","1856.98","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 Cd2 N14 O9 -","- C82 H64 Cd2 N14 O9 -","- C82 H64 Cd2 N14 O9 -","1","0.5","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71073","MoKα","","0.1014","0.0463","","","0.0713","0.0802","","","","","","0.812","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500594","10.1973","0.001","18.464","0.002","18.495","0.002","90","","104.565","0.01","90","","3370.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cd N8 O5 -","- C35 H25 Cd N8 O5 -","- C140 H100 Cd4 N32 O20 -","4","1","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71073","MoKα","","0.1727","0.0701","","","0.1659","0.1847","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500595","12.055","0.0003","9.957","0.0002","29.093","0.0006","90","","98.02","0.002","90","","3457.93","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cd N8 O6 -","- C36 H29 Cd N8 O6 -","- C144 H116 Cd4 N32 O24 -","4","1","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71069","MoKα","","0.0538","0.0329","","","0.0702","0.0749","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500596","14.9127","0.0002","9.2663","0.0003","27.2481","0.0004","90","","98.253","0.001","90","","3726.3","0.14","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H33 Cd N8 O5 -","- C42 H33 Cd N8 O5 -","- C168 H132 Cd4 N32 O20 -","4","1","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","1.54184","CuKα","","0.1039","0.0654","","","0.1606","0.1874","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500597","10.112","0.0003","18.386","0.0007","18.473","0.0006","90","","104.583","0.004","90","","3323.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Mn N8 O5 -","- C35 H24 Mn N8 O5 -","- C140 H96 Mn4 N32 O20 -","4","1","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71073","MoKα","","0.1237","0.0564","","","0.1297","0.1448","","","","","","0.855","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500598","22.466","0.0001","22.466","0.0001","13.387","0.0001","90","","90","","90","","6756.7","0.07","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C124 H108 Cl4 N28 Ni4 O16 -","- C124 H108 Cl4 N28 Ni4 O16 -","- C248 H216 Cl8 N56 Ni8 O32 -","2","0.25","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","1.54184","CuKα","","0.074","0.0591","","","0.1822","0.1963","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500599","11.048","0.0003","11.563","0.0004","16.169","0.0007","76.974","0.004","89.733","0.003","63.126","0.004","1783.8","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H55 N14 Ni2 O21 -","- C74 H50 N14 Ni2 O20.5 -","- C74 H50 N14 Ni2 O20.5 -","1","0.5","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71069","MoKα","","0.0664","0.052","","","0.1487","0.1565","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500600","27.324","0.017","6.433","0.003","14.561","0.008","90","","101.14","0.018","90","","2511","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 N O4 -","- C13 H20 N O4 -","- C104 H160 N8 O32 -","8","1","","André, Vânia; Fernandes, Auguste; Santos, Pedro Paulo; Duarte, M. Teresa","On the Track of New Multicomponent Gabapentin Crystal Forms: Synthon Competition and pH Stability","Crystal Growth & Design","2011","11","6","2325","","10.1021/cg200008z","","","0.71069","MoKα","","0.0922","0.0455","","","0.092","0.1035","","","","","","0.922","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500601","16.526","0.0007","16.929","0.001","6.561","0.001","90","","92.23","0.007","90","","1834.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","GBP_TrimesicAcid_hydrate","","","- C18 H25 N O9 -","- C18 H25 N O9 -","- C72 H100 N4 O36 -","4","1","","André, Vânia; Fernandes, Auguste; Santos, Pedro Paulo; Duarte, M. Teresa","On the Track of New Multicomponent Gabapentin Crystal Forms: Synthon Competition and pH Stability","Crystal Growth & Design","2011","11","6","2325","","10.1021/cg200008z","","","0.71069","MoKα","","0.1579","0.069","","","0.1692","0.1986","","","","","","0.945","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500602","14.341","0.003","9.6028","0.0019","7.2024","0.0014","90","","97.63","0.03","90","","983.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 I O5 -","- C8 H7 I O5 -","- C32 H28 I4 O20 -","4","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0568","0.052","","","0.167","0.1721","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500603","27.451","0.005","9.517","0.0019","16.842","0.003","90","","122.08","0.03","90","","3728.1","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 I2 N4 O9 Zn2 -","- C40 H24 I2 N4 O9 Zn2 -","- C160 H96 I8 N16 O36 Zn8 -","4","0.5","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0587","0.0549","","","0.1473","0.1504","","","","","","1.088","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500604","9.926","0.002","10.815","0.002","13.742","0.003","106.53","0.03","94.87","0.03","111.8","0.03","1282.7","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 I N3 O4 Zn -","- C26 H18 I N3 O4 Zn -","- C52 H36 I2 N6 O8 Zn2 -","2","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.073","0.0515","","","0.0849","0.0937","","","","","","1.038","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500605","10.433","0.005","14.803","0.007","26.493","0.012","90","","109.45","0.017","90","","3858","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H22 Cd2 I2 N4 O8 -","- C40 H22 Cd2 I2 N4 O8 -","- C160 H88 Cd8 I8 N16 O32 -","4","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0613","0.0495","","","0.1212","0.1259","","","","","","1.037","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500606","10.247","0.002","14.609","0.003","26.348","0.007","90","","109.29","0.03","90","","3722.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H22 I2 Mn2 N4 O8 -","- C40 H22 I2 Mn2 N4 O8 -","- C160 H88 I8 Mn8 N16 O32 -","4","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0337","0.0311","","","0.0626","0.0643","","","","","","1.099","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500607","10.2135","0.0005","13.8853","0.0006","18.1964","0.0008","90","","103.173","0.001","90","","2512.7","0.2","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C80 H52 I4 Mn4 N8 O21 -","- C80 H52 I4 Mn4 N8 O21 -","- C80 H52 I4 Mn4 N8 O21 -","1","0.25","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0696","0.0561","","","0.1982","0.2077","","","","","","1.095","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500608","10.22","0.01","14.56","0.01","15.01","0.01","90","","104.85","0.02","90","","2159","3","298","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Co I N4 O4 -","- C22 H17 Co I N4 O4 -","- C88 H68 Co4 I4 N16 O16 -","4","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.1085","0.0545","","","0.0638","0.0705","","","","","","1.02","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500609","24.231","0.0004","10.1656","0.0007","19.5257","0.0003","90","","114.942","0.001","90","","4361.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Co I N4 O4 -","- C22 H17 Co I N4 O4 -","- C176 H136 Co8 I8 N32 O32 -","8","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0543","0.0329","","","0.0699","0.0787","","","","","","1.03","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500610","6.1475","0.0005","13.1349","0.001","10.5981","0.0009","90","","99.16","0.008","90","","844.85","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C36 H44 Cl2 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0511","0.0459","","","0.1092","0.1115","","","","","","1.131","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500611","10.4182","0.0006","8.0374","0.0004","20.2501","0.0014","90","","90","","90","","1695.65","0.17","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C72 H88 Cl4 N4 O12 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.058","0.0396","","","0.0635","0.0669","","","","","","0.895","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500612","5.8119","0.0002","13.1776","0.0003","12.041","0.0004","90","","103.222","0.003","90","","897.74","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0296","0.0259","","","0.0575","0.0584","","","","","","0.978","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500613","15.6457","0.0003","11.2144","0.0002","21.0605","0.0004","90","","90","","90","","3695.22","0.12","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0535","0.0334","","","0.074","0.0774","","","","","","0.917","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500614","5.8318","0.0005","13.0114","0.0007","10.8982","0.0008","90","","97.971","0.004","90","","818.96","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 F N O3 -","- C18 H22 F N O3 -","- C36 H44 F2 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.1174","0.058","","","0.1126","0.1347","","","","","","1.022","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500615","24.2192","0.0013","5.7476","0.0003","23.7497","0.0014","90","","96.799","0.006","90","","3282.8","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 F N O3 -","- C18 H22 F N O3 -","- C144 H176 F8 N8 O24 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0694","0.0412","","","0.0907","0.0962","","","","","","0.88","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500616","5.8311","0.0002","12.9695","0.0004","23.552","0.0009","90","","94.839","0.003","90","","1774.81","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0564","0.0373","","","0.0591","0.0625","","","","","","0.908","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500617","5.8279","0.0007","12.8112","0.0011","23.307","0.003","90","","91.683","0.013","90","","1739.4","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0849","0.0551","","","0.1361","0.1541","","","","","","0.967","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500618","5.9395","0.0008","15.0195","0.0013","9.6906","0.0013","90","","97.506","0.012","90","","857.07","0.18","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0625","0.0319","","","0.0474","0.0505","","","","","","0.779","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500619","8.0447","0.0002","10.4716","0.0002","20.2936","0.0004","90","","90","","90","","1709.55","0.06","120","2","120","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0367","0.0329","","","0.0742","0.076","","","","","","1.058","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500620","7.423","0.0002","11.2355","0.0003","10.5683","0.0002","90","","93.59","0.002","90","","879.68","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C34 H46 N2 O8 S2 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0523","0.0382","","","0.0634","0.0659","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500621","10.4282","0.0002","10.8429","0.0001","14.9671","0.0002","90","","94.601","0.001","90","","1686.91","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0384","0.0307","","","0.0896","0.0917","","","","","","1.109","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500622","5.9219","0.0012","32.974","0.005","7.1591","0.0012","90","","99.465","0.002","90","","1378.9","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 N2 O8 S2 -","- C24 H40 N2 O8 S2 -","- C48 H80 N4 O16 S4 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0366","0.0353","","","0.08","0.0804","","","","","","1.199","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500623","5.9393","0.0005","33.056","0.002","7.3071","0.0006","90","","102.924","0.008","90","","1398.26","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N O4 S -","- C12 H20 N O4 S -","- C48 H80 N4 O16 S4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","1.5418","CuKα","","0.0807","0.0663","","","0.1701","0.1771","","","","","","1.065","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500624","5.8796","0.0006","21.637","0.003","33.84","0.004","90","","90","","90","","4305","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C144 H252 N12 O48 S12 -","12","3","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.1615","0.0963","","","0.1804","0.2209","","","","","","1.073","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500625","5.7618","0.0003","17.4809","0.0011","13.7006","0.0008","90","","95.417","0.005","90","","1373.78","0.14","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0679","0.0387","","","0.0687","0.0727","","","","","","0.804","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500626","6.0452","0.0004","13.2486","0.0007","18.0074","0.0009","90","","90","","90","","1442.22","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 N O6 S -","- C11 H20.5 N O6 S -","- C44 H82 N4 O24 S4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0703","0.0495","","","0.0817","0.0864","","","","","","1.04","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500627","5.8927","0.0002","17.3398","0.0005","13.7513","0.0004","90","","95.424","0.002","90","","1398.79","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H21 N O6 S -","- C11 H21 N O6 S -","- C44 H84 N4 O24 S4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0713","0.0541","","","0.1033","0.1131","","","","","","1.088","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500628","19.9658","0.0005","13.5075","0.0004","5.7764","0.0002","90","","90","","90","","1557.83","0.08","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0581","0.0421","","","0.0864","0.0886","","","","","","0.912","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500629","10.6674","0.0007","24.5551","0.0018","5.9212","0.0003","90","","100.111","0.006","90","","1526.91","0.17","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","1.5418","CuKα","","0.0715","0.0421","","","0.0984","0.1062","","","","","","0.897","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500630","7.8391","0.0005","9.6967","0.0005","11.2005","0.0007","103.35","0.005","100.24","0.005","111.083","0.005","740.34","0.09","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0693","0.0512","","","0.1126","0.1176","","","","","","0.955","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500631","10.1926","0.0012","5.7077","0.0012","13.2031","0.0015","71.63","0.01","80.82","0.009","81.111","0.009","715.2","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","1.5418","CuKα","","0.0597","0.0506","","","0.1421","0.1494","","","","","","1.076","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500632","7.2851","0.0001","9.6672","0.0002","17.2535","0.0003","90","","90","","90","","1215.1","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Br N O -","- C11 H18 Br N O -","- C44 H72 Br4 N4 O4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0186","0.0161","","","0.0345","0.0347","","","","","","1.023","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500633","5.73759","0.00016","30.5983","0.0011","6.9823","0.0002","90","","106.92","0.003","90","","1172.75","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Br N O -","- C11 H18 Br N O -","- C44 H72 Br4 N4 O4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0563","0.0484","","","0.0864","0.0876","","","","","","1.396","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500634","7.1557","0.0002","9.5708","0.0002","16.8627","0.0004","90","","90","","90","","1154.86","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C44 H72 Cl4 N4 O4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0314","0.0267","","","0.0589","0.0598","","","","","","0.984","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500635","33.6032","0.0013","6.9855","0.0002","9.9089","0.0003","90","","95.085","0.002","90","","2316.81","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C88 H144 Cl8 N8 O8 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0558","0.04","","","0.0874","0.0933","","","","","","1.064","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500636","6.6465","0.0002","11.9973","0.0005","23.0394","0.001","90","","90","","90","","1837.16","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl N O4 -","- C18 H24 Cl N O4 -","- C72 H96 Cl4 N4 O16 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0553","0.0346","","","0.0562","0.0592","","","","","","0.865","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500637","24.7872","0.0012","5.8486","0.0002","23.7079","0.0011","90","","97.92","0.004","90","","3404.2","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C144 H176 Cl8 N8 O24 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0768","0.0403","","","0.0862","0.0949","","","","","","0.936","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500638","8.628","0.0002","10.9921","0.0002","18.7914","0.0004","90","","90","","90","","1782.17","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0396","0.0309","","","0.0582","0.0595","","","","","","0.916","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500639","13.9277","0.0003","11.22","0.0003","20.7001","0.0007","90","","90","","90","","3234.78","0.16","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C144 H184 N8 O24 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0546","0.0325","","","0.0692","0.0734","","","","","","0.924","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500640","7.6416","0.0002","25.5067","0.0005","7.8781","0.0002","90","","104.173","0.003","90","","1488.8","0.06","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 I2 N O -","- C11 H18 I2 N O -","- C44 H72 I8 N4 O4 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0573","0.0462","","","0.0648","0.0668","","","","","","1.136","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4500641","7.6216","0.0004","7.6754","0.0004","11.0946","0.0005","83.537","0.004","84.005","0.005","70.642","0.005","606.88","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 I N O -","- C11 H18 I N O -","- C22 H36 I2 N2 O2 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0228","0.0189","","","0.0397","0.0403","","","","","","0.97","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500642","6.1399","0.0001","13.3725","0.0004","10.3002","0.0003","90","","98.217","0.002","90","","837.02","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C34 H46 N2 O10 S2 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.034","0.0316","","","0.0766","0.0783","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500643","10.2179","0.0003","13.6409","0.0004","15.0037","0.0004","64.086","0.003","87.575","0.002","72.856","0.002","1788.26","0.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H24 N O5.5 S -","- C17 H24 N O5.5 S -","- C68 H96 N4 O22 S4 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0656","0.0367","","","0.0785","0.0842","","","","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500644","12.8247","0.0005","7.7239","0.0003","18.065","0.0008","90","","104.569","0.004","90","","1731.92","0.13","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.075","0.0439","","","0.0725","0.0775","","","","","","0.878","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500645","5.9915","0.0001","14.2038","0.0003","9.9003","0.0002","90","","96.679","0.001","90","","836.82","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C36 H44 Cl2 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0441","0.0408","","","0.1012","0.1033","","","","","","1.188","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500646","6.0437","0.0002","14.1258","0.0003","9.9363","0.0003","90","","98.017","0.003","90","","839.99","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.043","0.034","","","0.0663","0.0682","","","","","","0.949","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500647","6.0187","0.0003","5.3451","0.0003","9.9651","0.0004","90","","92.604","0.002","90","","320.25","0.03","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-dichloro 1,4-benzoquinone","","","- C6 H2 Cl2 O2 -","- C6 H2 Cl2 O2 -","- C12 H4 Cl4 O4 -","2","0.5","","Hathwar, Venkatesha R.; Gonnade, Rajesh G.; Munshi, Parthapratim; Bhadbhade, Mohan M.; Guru Row, Tayur N.","Halogen Bonding in 2,5-Dichloro-1,4-benzoquinone: Insights from Experimental and Theoretical Charge Density Analysis","Crystal Growth & Design","2011","11","5","1855","","10.1021/cg2000415","","x-ray","0.71073","MoKα","","0.0157","0.0116","","","","0.016","","","","","","1.003","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500648","27.422","0.003","27.422","0.003","38.087","0.008","90","","90","","120","","24803","6","113.15","","113.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C30 H14 Co3 N4 O17 -","- C30 H14 Co3 N4 O17 -","- C540 H252 Co54 N72 O306 -","18","0.5","","Chang, Ze; Zhang, Da-Shuai; Hu, Tong-Liang; Bu, Xian-He","Microporous Metal‒Organic Framework Based on Supermolecular Building Blocks (SBBs): Structure Analysis and Selective Gas Adsorption Properties","Crystal Growth & Design","2011","11","6","2050","","10.1021/cg200043a","","","0.71073","MoKα","","0.0848","0.0677","","","0.1793","0.1938","","","","","","1.081","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500649","7.4045","0.0001","7.4045","0.0001","12.2053","0.0002","90","","90","","120","","579.523","0.015","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs2 Mo3 O12 Te -","- Cs2 Mo3 O12 Te -","- Cs4 Mo6 O24 Te2 -","2","0.333333","","Zhang, Junjie; Tao, Xutang; Sun, Youxuan; Zhang, Zhonghan; Zhang, Chengqian; Gao, Zeliang; Xia, Haibing; Xia, Shengqing","Top-Seeded Solution Growth, Morphology, and Properties of a Polar Crystal Cs2TeMo3O12","Crystal Growth & Design","2011","11","5","1863","","10.1021/cg200050g","","","0.71073","MoKα","","0.0139","0.0138","","","0.0318","0.0318","","","","","","1.2","","","","has coordinates","202022","2020-10-21","18:00:00",""
"4500650","5.7335","0.0011","10.5","0.002","19.088","0.004","98.09","0.03","93.79","0.03","91.46","0.03","1134.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Eu(OTf)3 3CH3CN","Europium(III)triflate acetonitrile solvate","","- C9 H9 Eu F9 N3 O9 S3 -","- C9 H9 Eu F9 N3 O9 S3 -","- C18 H18 Eu2 F18 N6 O18 S6 -","2","1","","Tang, Sifu; Mudring, Anja-Verena","Ionic Liquids as Crystallization Media: Weakly-Coordinating Anions Do Coordinate in1∞[Eu(OTf)3(CH3CN)3]","Crystal Growth & Design","2011","11","5","1437","","10.1021/cg200064n","","","0.71073","MoKα","","0.0411","0.0332","","","0.0756","0.0783","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500651","6.709","0.002","11.932","0.005","12.869","0.004","107.062","0.013","95.121","0.012","100.054","0.014","958.9","0.6","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Cu3 N12 O18 -","- C40 H26 Cu3 N12 O18 -","- C40 H26 Cu3 N12 O18 -","1","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71075","MoKα","","0.0325","0.0297","","","0.0747","0.0759","","","","","","1.113","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500652","26.458","0.008","6.5936","0.0015","16.939","0.005","90","","118.205","0.012","90","","2604.2","1.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Co N6 O15 -","- C20 H18 Co N6 O15 -","- C80 H72 Co4 N24 O60 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71075","MoKα","","0.0401","0.0368","","","0.0988","0.101","","","","","","1.12","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500653","26.495","0.004","6.6189","0.0011","16.996","0.003","90","","118.296","0.008","90","","2624.4","0.8","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N6 Ni O15 -","- C20 H26 N6 Ni O15 -","- C80 H104 N24 Ni4 O60 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71075","MoKα","","0.0965","0.0625","","","0.1325","0.1476","","","","","","1.056","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500654","17.949","0.003","12.708","0.003","9.6065","0.0016","90","","112.333","0.004","90","","2026.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Mn N6 O8 -","- C20 H12 Mn N6 O8 -","- C80 H48 Mn4 N24 O32 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71073","MoKα","","0.0379","0.0333","","","0.0823","0.0844","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500655","20.064","0.005","7.7666","0.0019","17.11","0.004","90","","122.82","0.004","90","","2240.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu2 N6 O13 -","- C20 H20 Cu2 N6 O13 -","- C80 H80 Cu8 N24 O52 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71073","MoKα","","0.0478","0.0373","","","0.0795","0.0825","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500656","20.555","0.003","7.4526","0.001","17.229","0.003","90","","123.504","0.005","90","","2200.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Co2 N6 O13 -","- C20 H20 Co2 N6 O13 -","- C80 H80 Co8 N24 O52 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71073","MoKα","","0.038","0.0354","","","0.0996","0.1016","","","","","","1.067","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500657","20.625","0.004","7.3923","0.0015","17.25","0.003","90","","123.574","0.003","90","","2191.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N6 Ni2 O13 -","- C20 H20 N6 Ni2 O13 -","- C80 H80 N24 Ni8 O52 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71073","MoKα","","0.0367","0.0339","","","0.106","0.1088","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500658","10.531","0.003","14.549","0.006","7.681","0.003","90","","90","","90","","1176.8","0.7","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H11 Mn N3 O7 -","- C10 H11 Mn N3 O7 -","- C40 H44 Mn4 N12 O28 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71075","MoKα","","0.0276","0.0258","","","0.07","0.071","","","","","","1.136","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500659","23.376","0.007","13.341","0.003","23.042","0.005","90","","105.768","0.009","90","","6915","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tris(2,6-dimethyl-4-hydroxyphenyl)benzene","1,3,5-tris(2,6-dimethyl-4-hydroxyphenyl)benzene","","- C81 H84 O6 -","- C81 H84 O6 -","- C324 H336 O24 -","4","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1624","0.0852","","","0.1936","0.2261","","","","","","1.05","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500660","23.562","0.005","13.96","0.005","28.168","0.007","90","","113.151","0.008","90","","8519","4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tris(2,6-dimethyl-4-hydroxyphenyl)benzene","1,3,5-tris(2,6-dimethyl-4-hydroxyphenyl)benzene","","- C88 H124 O23 -","- C88 H118 O23 -","- C352 H472 O92 -","4","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1695","0.1033","","","0.2736","0.3162","","","","","","1.086","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500661","13.932","0.003","11.104","0.002","28.633","0.006","90","","100.752","0.004","90","","4351.8","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tris(2,6-dimethyl-4-hydroxyphenyl)benzene","tris(2,6-dimethyl-4-hydroxyphenyl)benzene","","- C44 H63 N O12 -","- C44 H63 N O12 -","- C176 H252 N4 O48 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1278","0.0656","","","0.1221","0.1398","","","","","","1.034","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500662","23.0586","0.0018","23.0586","0.0018","7.4775","0.0008","90","","90","","90","","3975.8","0.6","100","2","100","2","","","","","","","","3","I 4 c m","I 4 -2c","108","1,3,5-tris(4-hydroxyphenyl)mesitylene","1,3,5-tris(4-hydroxyphenyl)mesitylene","","- C27 H24 O3 -","- C28 H24 O3 -","- C224 H192 O24 -","8","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.0447","0.0401","","","0.0996","0.1027","","","","","","1.046","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500663","10.446","0.005","13.758","0.007","16.201","0.008","108.821","0.007","93.859","0.01","108.646","0.009","2050.1","1.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,3,5-tris(4-hydroxyphenyl)mesitylene","1,3,5-tris(4-hydroxyphenyl)mesitylene","","- C39 H52 O11 -","- C39 H48 O11 -","- C78 H96 O22 -","2","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.2135","0.1315","","","0.3219","0.3736","","","","","","1.092","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500664","21.037","0.003","21.037","0.003","53.66","0.011","90","","90","","120","","20566","6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","tris(2,12-dimethyl-8-hydroxybiphenyl)benzene","1,3,5-tris(2,12-dimethyl-8-hydroxybiphenyl)benzene","","- C276 H375 N3 O72 -","- C276 H327 N3 O71.94 -","- C828 H981 N9 O215.82 -","3","0.166667","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1981","0.118","","","0.3001","0.3498","","","","","","1.134","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500665","34.693","0.005","34.693","0.005","7.198","0.003","90","","90","","90","","8664","4","100","2","100","2","","","","","","","","3","I -4","I -4","82","1,3,5-tris(4-hydroxybiphenyl)mesitylene","1,3,5-tris(4-hydroxybiphenyl)mesitylene","","- C52 H44 O3 -","- C52 H44 O3 -","- C416 H352 O24 -","8","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1527","0.0934","","","0.2188","0.2513","","","","","","1.062","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500666","9.393","0.001","22.498","0.001","37.809","0.009","90","","90","","90","","7990","2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,3,5-tris(4-hydroxybiphenyl)mesitylene","1,3,5-tris(4-hydroxybiphenyl)mesitylene","","- C85 H97 O12 -","- C85 H91 O12 -","- C340 H364 O48 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1927","0.1046","","","0.2318","0.2699","","","","","","1.061","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500667","13.371","0.003","33.458","0.008","36.582","0.009","90","","95.539","0.004","90","","16289","7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- Co6 Cs3 Ge3 H90 K3 O159 W33 -","- Co6 Cs3 Ge3 K3 O159 W33 -","- Co24 Cs12 Ge12 K12 O636 W132 -","4","1","","Chen, Lijuan; Shi, Dongying; Zhao, Junwei; Wang, Yulong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Three Transition-Metal Substituted Polyoxotungstates Containing Keggin Fragments: From Trimer to One-Dimensional Chain to Two-Dimensional Sheet","Crystal Growth & Design","2011","11","5","1913","","10.1021/cg200077r","","","0.71073","MoKα","","0.1012","0.075","","","0.1914","0.2043","","","","","","1.024","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500668","12.722","0.011","17.742","0.016","20.62","0.019","91.844","0.015","107.857","0.015","108.924","0.015","4146","6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- H72 K18 Mn9 O156 Si4 W34 -","- K6 Mn9 O156 Si4 W34 -","- K6 Mn9 O156 Si4 W34 -","1","0.5","","Chen, Lijuan; Shi, Dongying; Zhao, Junwei; Wang, Yulong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Three Transition-Metal Substituted Polyoxotungstates Containing Keggin Fragments: From Trimer to One-Dimensional Chain to Two-Dimensional Sheet","Crystal Growth & Design","2011","11","5","1913","","10.1021/cg200077r","","","0.71073","MoKα","","0.2012","0.1062","","","0.2548","0.3116","","","","","","1.018","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500669","23.838","0.008","12.084","0.004","30.45","0.01","90","","96.985","0.005","90","","8706","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cd6 H56 K8 O96 Si2 W18 -","- Cd6 K8 O96 Si2 W18 -","- Cd24 K32 O384 Si8 W72 -","4","0.5","","Chen, Lijuan; Shi, Dongying; Zhao, Junwei; Wang, Yulong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Three Transition-Metal Substituted Polyoxotungstates Containing Keggin Fragments: From Trimer to One-Dimensional Chain to Two-Dimensional Sheet","Crystal Growth & Design","2011","11","5","1913","","10.1021/cg200077r","","","0.71073","MoKα","","0.0364","0.0325","","","0.0762","0.078","","","","","","1.029","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500670","8.181","0.003","8.421","0.003","10.25","0.004","98.774","0.006","95.521","0.006","114.52","0.006","624.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Br2 N4 O6 S2 -","- C22 H20 Br2 N4 O6 S2 -","- C22 H20 Br2 N4 O6 S2 -","1","0.5","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0329","0.0299","","","0.0747","0.0764","","","","","","1.11","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500671","7.8871","0.0005","7.8871","0.0005","51.1","0.007","90","","90","","90","","3178.7","0.5","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H14 Cl N3 O4 S -","- C16 H14 Cl N3 O4 S -","- C128 H112 Cl8 N24 O32 S8 -","8","1","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0325","0.0325","","","0.078","0.0781","","","","","","1.151","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500672","8.7426","0.0008","5.2061","0.0005","27.7269","0.0019","90","","102.935","0.002","90","","1229.96","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O8 S2 -","- C24 H26 N4 O8 S2 -","- C48 H52 N8 O16 S4 -","2","0.5","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0422","0.0397","","","0.1017","0.1036","","","","","","1.082","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500673","5.2214","0.0004","9.586","0.0008","20.154","0.0017","85.222","0.001","88.759","0.001","74.826","0.001","970.2","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Cl N4 O7 S -","- C18 H17 Cl N4 O7 S -","- C36 H34 Cl2 N8 O14 S2 -","2","1","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0336","0.0317","","","0.0834","0.0849","","","","","","1.038","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500674","10.317","0.0009","12.3913","0.001","20.0553","0.0017","90","","103.728","0.001","90","","2490.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O6 S2 -","- C24 H26 N4 O6 S2 -","- C96 H104 N16 O24 S8 -","4","1","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0362","0.0335","","","0.0878","0.09","","","","","","1.017","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500675","8.023","0.0006","8.3201","0.0006","17.5479","0.0012","77.734","0.001","77.52","0.001","81.286","0.001","1110.71","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Cl N4 O7.5 S -","- C22 H19 Cl N4 O7.25 S -","- C44 H38 Cl2 N8 O14.5 S2 -","2","1","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0406","0.0376","","","0.0953","0.0973","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500676","8.9954","0.0008","9.7521","0.0005","14.1574","0.001","74.025","0.006","75.373","0.007","80.65","0.006","1149.5","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.1395","0.0525","","","0.1139","0.1593","","","","","","0.809","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500677","9.6482","0.0004","9.8674","0.0004","14.1812","0.0007","96.766","0.004","102.504","0.004","116.635","0.004","1141.92","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Mo8 N6 O28 -","- C28 H32 Mo8 N6 O28 -","- C28 H32 Mo8 N6 O28 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.0513","0.0279","","","0.0581","0.0788","","","","","","0.921","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500678","10.398","0.005","35.826","0.005","13.418","0.005","90","0.005","108.416","0.005","90","0.005","4742","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Cu Mo8 N6 O31 -","- C28 H36 Cu Mo8 N6 O31 -","- C112 H144 Cu4 Mo32 N24 O124 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.0479","0.0273","","","0.0614","0.0657","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500679","7.914","0.005","10.423","0.005","13.808","0.005","91.308","0.005","96.509","0.005","100.792","0.005","1110.5","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cu Mo8 N6 O29 -","- C28 H30 Cu Mo8 N6 O29 -","- C28 H30 Cu Mo8 N6 O29 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.037","0.028","","","0.0677","0.0699","","","","","","0.965","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500680","10.9471","0.0003","11.5905","0.0004","14.5109","0.0005","104.956","0.003","95.054","0.002","110.967","0.003","1627.46","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cu Mo8 N12 O26 -","- C56 H50 Cu Mo8 N12 O26 -","- C56 H50 Cu Mo8 N12 O26 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.0942","0.0429","","","0.0929","0.1082","","","","","","0.903","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500681","12.6602","0.0009","12.6602","0.0009","28.733","0.004","90","","90","","120","","3988.3","0.7","291","2","291","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C52 H70 N O9 -","- C52 H70 N O9 -","- C156 H210 N3 O27 -","3","0.5","","Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong","Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives","Crystal Growth & Design","2011","11","7","2684","","10.1021/cg2000975","","","0.71073","MoKα","","0.077","0.0606","","","0.1363","0.1403","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500682","12.6547","0.0012","12.6547","0.0012","28.776","0.005","90","","90","","120","","3990.8","0.9","291","2","291","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C52 H70 N O9 -","- C52 H70 N O9 -","- C156 H210 N3 O27 -","3","0.5","","Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong","Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives","Crystal Growth & Design","2011","11","7","2684","","10.1021/cg2000975","","","0.71073","MoKα","","0.0694","0.0512","","","0.0962","0.0999","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500683","11.9708","0.0013","34.928","0.003","12.444","0.002","90","","110.505","0.001","90","","4873.4","1","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H146 N2 O16 -","- C108 H146 N2 O16 -","- C216 H292 N4 O32 -","2","1","","Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong","Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives","Crystal Growth & Design","2011","11","7","2684","","10.1021/cg2000975","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500684","7.1113","0.0003","13.3625","0.0005","13.6784","0.0005","102.423","0.002","104.864","0.002","101.286","0.002","1182.74","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","potassium uranyl phthalate","","","- C16 H8 K O17 U3 -","- C16 H8 K O17 U3 -","- C32 H16 K2 O34 U6 -","2","1","","Mihalcea, Ionut; Henry, Natacha; Loiseau, Thierry","Revisiting the Uranyl-phthalate System: Isolation and Crystal Structures of Two Types of Uranyl−Organic Frameworks (UOF)","Crystal Growth & Design","2011","11","5","1940","","10.1021/cg200106j","","","0.71073","MoKα","","0.061","0.0443","","","0.1227","0.1352","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500685","7.2962","0.0003","13.3376","0.0004","13.685","0.0004","102.294","0.002","105.175","0.002","101.557","0.002","1208.64","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 N O17 U3 -","- C16 H8 N O17 U3 -","- C32 H16 N2 O34 U6 -","2","1","","Mihalcea, Ionut; Henry, Natacha; Loiseau, Thierry","Revisiting the Uranyl-phthalate System: Isolation and Crystal Structures of Two Types of Uranyl−Organic Frameworks (UOF)","Crystal Growth & Design","2011","11","5","1940","","10.1021/cg200106j","","","0.71073","MoKα","","0.0395","0.0256","","","0.0588","0.0731","","","","","","1.135","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500686","30.5385","0.0007","30.5385","0.0007","5.8489","0.0002","90","","90","","120","","4723.9","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H9 O11 U1.5 -","- C12 H9 O11 U1.5 -","- C144 H108 O132 U18 -","12","0.666667","","Mihalcea, Ionut; Henry, Natacha; Loiseau, Thierry","Revisiting the Uranyl-phthalate System: Isolation and Crystal Structures of Two Types of Uranyl−Organic Frameworks (UOF)","Crystal Growth & Design","2011","11","5","1940","","10.1021/cg200106j","","","0.71073","MoKα","","0.0355","0.0221","","","0.0629","0.0674","","","","","","1.31","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500687","30.181","0.006","9.0918","0.0018","17.92","0.004","90","","125.66","0.03","90","","3995","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H28 Ag N2 O8 -","- C15 H28 Ag N2 O8 -","- C120 H224 Ag8 N16 O64 -","8","1","","Luo, Geng-Geng; Xiong, Hong-Bo; Sun, Di; Wu, Dong-Liang; Huang, Rong-Bin; Dai, Jing-Cao","A Discrete Spirocyclic (H2O)9Cluster and 1D Novel Water Chain with Tetrameric and Octameric Clusters in Cationic Hosts","Crystal Growth & Design","2011","11","5","1948","","10.1021/cg200111j","","","0.71073","MoKα","","0.0446","0.0362","","","0.1236","0.1411","","","","","","1.087","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500688","13.6","0.003","15.107","0.003","33","0.007","90","","90","","90","","6780","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C28 H46 Ag2 N4 O13 -","- C28 H46 Ag2 N4 O13 -","- C224 H368 Ag16 N32 O104 -","8","0.25","","Luo, Geng-Geng; Xiong, Hong-Bo; Sun, Di; Wu, Dong-Liang; Huang, Rong-Bin; Dai, Jing-Cao","A Discrete Spirocyclic (H2O)9Cluster and 1D Novel Water Chain with Tetrameric and Octameric Clusters in Cationic Hosts","Crystal Growth & Design","2011","11","5","1948","","10.1021/cg200111j","","","0.71073","MoKα","","0.0221","0.0207","","","0.0532","0.054","","","","","","1.066","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500689","21.693","0.004","18.321","0.003","22.792","0.004","90","","117.959","0.002","90","","8001","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Co3 N12 O28 -","- C72 H46 Co3 N12 O28 -","- C288 H184 Co12 N48 O112 -","4","0.5","","Zhang, Jian-Yong; Jing, Xue-Hui; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Interpenetration, Self-Catenation, and New Topology in Metal‒Organic Frameworks of Cobalt with Mixed Organic Linkers","Crystal Growth & Design","2011","11","9","3681","","10.1021/cg200120p","","","0.71073","MoKα","","0.092","0.0585","","","0.1534","0.1794","","","","","","0.99","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500690","13.725","0.004","15.197","0.005","20.131","0.009","96.855","0.006","100.123","0.006","113.155","0.004","3717","2","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H55 Co3 N11 O27.5 -","- C72 H52 Co3 N11 O27.5 -","- C144 H104 Co6 N22 O55 -","2","1","","Zhang, Jian-Yong; Jing, Xue-Hui; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Interpenetration, Self-Catenation, and New Topology in Metal‒Organic Frameworks of Cobalt with Mixed Organic Linkers","Crystal Growth & Design","2011","11","9","3681","","10.1021/cg200120p","","","0.71073","MoKα","","0.154","0.0941","","","0.1965","0.2286","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500691","12.923","0.008","19.427","0.013","21.115","0.014","95.816","0.011","93.135","0.011","96.147","0.012","5232","6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H80 Ce Cu3.5 N18 O80 P2 W22 -","- C26 H76 Ce Cu3.5 N18 O80 P2 W22 -","- C52 H152 Ce2 Cu7 N36 O160 P4 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.1637","0.073","","","0.1371","0.1545","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500692","13.0173","0.0006","19.3803","0.0009","21.5028","0.0009","96.007","0.001","95.311","0.001","95.713","0.001","5339","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H93 Cu3.5 N18 O86.5 P2 Pr W22 -","- C26 H72 Cu3.5 N18 O86.5 P2 Pr W22 -","- C52 H144 Cu7 N36 O173 P4 Pr2 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.0669","0.044","","","0.0866","0.0932","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500693","13.7083","0.0016","19.323","0.002","25.369","0.003","105.421","0.002","104.048","0.002","99.871","0.002","6080.9","1.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H101 Cu5 Gd N20 O88 P2 W22 -","- C36 H80 Cu5 Gd N20 O88 P2 W22 -","- C72 H160 Cu10 Gd2 N40 O176 P4 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.0769","0.0641","","","0.1592","0.1669","","","","","","1.015","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500694","13.702","0.0008","19.324","0.001","25.3506","0.0014","105.382","0.001","104.017","0.001","99.958","0.001","6074","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H102 Cu5 N20 O88.5 P2 Tb W22 -","- C36 H80 Cu5 N20 O88.5 P2 Tb W22 -","- C72 H160 Cu10 N40 O177 P4 Tb2 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.0692","0.0443","","","0.0831","0.0913","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500695","13.7089","0.0013","19.2704","0.0018","25.333","0.002","105.13","0.002","104.191","0.001","99.847","0.002","6062.6","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H102 Cu5 Er N20 O88.5 P2 W22 -","- C36 H80 Cu5 Er N20 O88.5 P2 W22 -","- C72 H160 Cu10 Er2 N40 O177 P4 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.0526","0.0381","","","0.0847","0.0894","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500696","15.563","0.012","19.967","0.016","20.922","0.016","116.419","0.015","91.769","0.015","94.845","0.016","5785","8","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H59 Cu3 N12 Na2 Nd O81 P2 W22 -","- C20 H48 Cu3 N12 Na2 Nd O81 P2 W22 -","- C40 H96 Cu6 N24 Na4 Nd2 O162 P4 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.1528","0.0842","","","0.1479","0.157","","","","","","1.003","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500697","26.4013","0.0004","26.4013","0.0004","26.4013","0.0004","90","","90","","90","","18402.5","0.5","100","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C6 H6 Mn2 O47.3 P3 U6 -","- C6 H6 Mn2 O47.3 P3 U6 -","- C96 H96 Mn32 O756.8 P48 U96 -","16","0.333333","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0218","0.0185","","","0.04","0.0411","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500698","12.7708","0.0013","14.5298","0.0014","18.8587","0.0019","82.784","0.001","72.179","0.001","79.385","0.001","3265.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Mn4 O57.75 P6 U5 -","- C12 H12 Mn4 O57.92 P6 U5 -","- C24 H24 Mn8 O115.84 P12 U10 -","2","1","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0474","0.0389","","","0.1013","0.1065","","","","","","0.892","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500699","6.7914","0.0003","17.5941","0.0009","10.1757","0.0005","90","","98.607","0.001","90","","1202.19","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Mn2 O26 P2 U3 -","- C4 H4 Mn2 O26 P2 U3 -","- C8 H8 Mn4 O52 P4 U6 -","2","0.5","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0213","0.0194","","","0.051","0.0517","","","","","","1.133","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500700","20.62","0.004","9.4956","0.0016","13.384","0.002","90","","104.987","0.002","90","","2531.4","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Fe O28 P2 U2 -","- C4 H4 Fe O28 P2 U2 -","- C16 H16 Fe4 O112 P8 U8 -","4","0.5","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0259","0.0243","","","0.0684","0.0696","","","","","","1.104","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500701","7.0208","0.0003","8.2937","0.0003","11.0388","0.0005","80.96","0.001","74.05","0.001","89.85","0.001","609.79","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H4 Fe O26 P2 U2 -","- C4 H4 Fe O26 P2 U2 -","- C4 H4 Fe O26 P2 U2 -","1","0.5","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0198","0.0195","","","0.0495","0.0497","","","","","","1.057","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500702","11.237","0.0005","20.8524","0.0009","14.6189","0.0007","90","","104.997","0.001","90","","3308.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 F2 N2 O39 P8 U6 -","- C32 H40 F2 N2 O39 P8 U6 -","- C64 H80 F4 N4 O78 P16 U12 -","2","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Hydrothermal Synthesis and Structural Characterization of Organically Templated Uranyl Diphosphonate Compounds","Crystal Growth & Design","2011","11","5","1966","","10.1021/cg200129g","","","0.71073","MoKα","","0.0359","0.026","","","0.0512","0.0548","","","","","","1.022","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500703","16.651","0.004","20.376","0.004","8.7419","0.0019","90","","90","","90","","2966","1.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H56 N2 O30 P8 U2 -","- C40 H58 N2 O30 P8 U2 -","- C80 H116 N4 O60 P16 U4 -","2","0.25","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Hydrothermal Synthesis and Structural Characterization of Organically Templated Uranyl Diphosphonate Compounds","Crystal Growth & Design","2011","11","5","1966","","10.1021/cg200129g","","","0.71073","MoKα","","0.0579","0.0391","","","0.0907","0.1004","","","","","","1.057","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500704","8.5409","0.0006","19.1605","0.0013","11.3037","0.0008","90","","110.327","0.001","90","","1734.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C18 H26 F N O19 P4 U3 -","- C17.67 H25.85 F N O19 P4 U3 -","- C35.34 H51.7 F2 N2 O38 P8 U6 -","2","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Hydrothermal Synthesis and Structural Characterization of Organically Templated Uranyl Diphosphonate Compounds","Crystal Growth & Design","2011","11","5","1966","","10.1021/cg200129g","","","0.71073","MoKα","","0.023","0.0185","","","0.0404","0.0417","","","","","","1.054","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500705","12.8912","0.0006","13.1722","0.0005","17.114","0.0007","90","","96.0184","0.0014","90","","2890","0.2","173.1","","173.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cu F12 N4 O P2 -","- C23 H23 Cu F12 N4 O P2 -","- C92 H92 Cu4 F48 N16 O4 P8 -","4","1","","Noro, Shin-ichiro; Fukuhara, Katsuo; Kubo, Kazuya; Nakamura, Takayoshi","Rational Construction of Wide Coordination Space and Control of Adsorption Properties in One-Dimensional Cu(II) Coordination Polymer","Crystal Growth & Design","2011","11","6","2379","","10.1021/cg2001392","","","0.71075","MoKα","","","0.0442","","","","0.0587","","","","","","1.209","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500706","13.135","0.003","13.453","0.004","13.51","0.004","110.197","0.004","92.133","0.003","93.261","0.004","2232.7","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N8 O9 Zn2 -","- C48 H46 N8 O9 Zn2 -","- C96 H92 N16 O18 Zn4 -","2","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0454","0.0385","","","0.1125","0.1266","","","","","","1.207","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500707","16.08","0.006","15.054","0.006","19.34","0.007","90","","90","","90","","4682","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N2 O6 Zn -","- C26 H20 N2 O6 Zn -","- C208 H160 N16 O48 Zn8 -","8","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0972","0.0931","","","0.182","0.184","","","","","","1.388","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500708","16.176","0.012","14.453","0.011","19.137","0.015","90","","90","","90","","4474","6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N2 O6 Zn -","- C24 H20 N2 O6 Zn -","- C192 H160 N16 O48 Zn8 -","8","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0859","0.0727","","","0.222","0.2363","","","","","","1.137","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500709","13.682","0.004","14.692","0.005","6.0405","0.0018","90","","97.086","0.005","90","","1205","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 O5 Zn -","- C14 H10 O5 Zn -","- C56 H40 O20 Zn4 -","4","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0344","0.0289","","","0.0721","0.0756","","","","","","1.09","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500710","8.5027","0.0008","8.6975","0.0008","40.9499","0.0011","93.251","0.005","94.148","0.005","99.009","0.008","2976","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H53 I N2 -","- C27 H53 I N2 -","- C108 H212 I4 N8 -","4","2","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0319","0.0276","","","0.0671","0.0691","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500711","45.831","0.003","9.6888","0.0006","7.355","0.0005","90","","99.224","0.005","90","","3223.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H53 I3 N2 -","- C27 H53 I3 N2 -","- C108 H212 I12 N8 -","4","0.5","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0136","0.0122","","","0.031","0.0315","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500712","5.2631","0.0004","41.705","0.005","33.069","0.004","90","","92.528","0.009","90","","7251.5","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H53 I5 N2 -","- C27 H53 I5 N2 -","- C216 H424 I40 N16 -","8","2","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0868","0.04","","","0.091","0.1071","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500713","7.2671","0.0004","10.106","0.0007","20.7305","0.0007","101.009","0.003","98.259","0.006","91.545","0.006","1476.64","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H53 N5 -","- C29 H53 N5 -","- C58 H106 N10 -","2","1","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0636","0.0424","","","0.1026","0.1122","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500714","7.4686","0.0005","10.051","0.0007","21.4603","0.0014","77.423","0.001","87.537","0.002","88.558","0.001","1570.64","0.18","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H53 N5 -","- C31 H53 N5 -","- C62 H106 N10 -","2","1","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0503","0.0405","","","0.1138","0.1212","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500715","13.909","0.002","6.3867","0.0009","35.945","0.005","90","","100.628","0.003","90","","3138.3","0.8","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H53 F6 N2 Sb -","- C27 H53 F6 N2 Sb -","- C108 H212 F24 N8 Sb4 -","4","1","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","","","0.0466","0.0352","","","0.079","0.0836","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500716","8.8995","0.0005","11.0981","0.0007","18.0698","0.0011","95.577","0.001","92.752","0.001","108","0.001","1683.57","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H53 B N6 -","- C31 H53 B N6 -","- C62 H106 B2 N12 -","2","1","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0691","0.0429","","","0.1041","0.1184","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500717","5.8389","0.0003","8.3195","0.0005","16.9691","0.001","90","","90","","90","","824.3","0.08","100","2","100","2","","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","L-3-phenyllactic acid","(S)-2-hydroxy-3-phenylpropionic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Navare, Pranoti S.; MacDonald, John C.","Investigation of Stability and Structure in Three Homochiral and Heterochiral Crystalline Forms of 3-Phenyllactic Acid","Crystal Growth & Design","2011","11","6","2422","","10.1021/cg200171r","","x-ray","0.71073","MoKα","","0.0304","0.0288","","","0.0718","0.0729","","","","","","1.064","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500718","8.493","0.0006","8.5972","0.0007","11.529","0.0009","90","","109.203","0.002","90","","794.96","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","D/L-3-phenyllactic acid","(rac)-2-hydroxy-3-phenylpropionic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Navare, Pranoti S.; MacDonald, John C.","Investigation of Stability and Structure in Three Homochiral and Heterochiral Crystalline Forms of 3-Phenyllactic Acid","Crystal Growth & Design","2011","11","6","2422","","10.1021/cg200171r","","","0.71073","MoKα","","0.0386","0.0345","","","0.0882","0.0915","","","","","","1.047","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500719","23.941","0.005","18.794","0.004","19.897","0.004","90","","124.96","0.03","90","","7337","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H7 Cu N O7 -","- C16 H7 Cu N O7 -","- C192 H84 Cu12 N12 O84 -","12","1.5","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Consequences of Partial Flexibility in 1,3-Benzenedicarboxylate Linkers: Kagomé Lattice and NbO Supramolecular Isomers from Complexation of a Bulky 1,3-Benzenedicarboxylate to Cu(II) Paddlewheel Moieties","Crystal Growth & Design","2011","11","5","1441","","10.1021/cg200183x","","","0.40663","synchrotron","","0.1326","0.0767","","","0.1691","0.1849","","","","","","1.018","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500720","22.4425","0.0003","22.4425","0.0003","20.1201","0.0007","90","","90","","120","","8776.1","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H16 Cu N2 O7 -","- C20 H16 Cu N2 O7 -","- C360 H288 Cu18 N36 O126 -","18","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Consequences of Partial Flexibility in 1,3-Benzenedicarboxylate Linkers: Kagomé Lattice and NbO Supramolecular Isomers from Complexation of a Bulky 1,3-Benzenedicarboxylate to Cu(II) Paddlewheel Moieties","Crystal Growth & Design","2011","11","5","1441","","10.1021/cg200183x","","","1.54178","CuKα","","0.0777","0.0516","","","0.1329","0.146","","","","","","1.05","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500721","6.5119","0.0014","5.8624","0.0008","20.426","0.005","90","","93.904","0.008","90","","778","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z,Z)-muconic isoprorylammonium","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C24 H48 N4 O8 -","2","0.5","","Nishizawa, Natsuko; Nakamura, Junya; Matsumoto, Akikazu","Single-Crystal-to-Single-Crystal Transformation of Di(isopropylammonium) (Z,Z)-Muconate into the (E,E)-Muconate during One-Way Photoisomerization in the Solid State","Crystal Growth & Design","2011","11","8","3442","","10.1021/cg200184c","","","0.71075","MoKα","","0.0713","0.0531","","","0.1517","0.1641","","","","","","1.096","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500722","6.4631","0.0017","5.9109","0.0019","20.402","0.008","90","","97.1","0.03","90","","773.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EE-iPrAm","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C24 H48 N4 O8 -","2","0.5","","Nishizawa, Natsuko; Nakamura, Junya; Matsumoto, Akikazu","Single-Crystal-to-Single-Crystal Transformation of Di(isopropylammonium) (Z,Z)-Muconate into the (E,E)-Muconate during One-Way Photoisomerization in the Solid State","Crystal Growth & Design","2011","11","8","3442","","10.1021/cg200184c","","","0.71075","MoKα","","0.0633","0.0381","","","0.0897","0.0953","","","","","","0.926","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500723","6.5022","0.0014","5.8929","0.0016","20.534","0.006","90","","94.839","0.01","90","","784","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 N2 O4 -","- C12 H24.648 N2 O4 -","- C24 H49.296 N4 O8 -","2","0.5","","Nishizawa, Natsuko; Nakamura, Junya; Matsumoto, Akikazu","Single-Crystal-to-Single-Crystal Transformation of Di(isopropylammonium) (Z,Z)-Muconate into the (E,E)-Muconate during One-Way Photoisomerization in the Solid State","Crystal Growth & Design","2011","11","8","3442","","10.1021/cg200184c","","","0.71075","MoKα","","0.0942","0.0504","","","0.1187","0.1286","","","","","","0.915","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500724","9.906","0.003","16.193","0.004","17.823","0.006","90","","95.252","0.01","90","","2846.9","1.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 N7 O9 S3 -","- C21 H33 N7 O9 S3 -","- C84 H132 N28 O36 S12 -","4","1","","Işiklan, Muhammet; Saeed, Musabbir A.; Pramanik, Avijit; Wong, Bryan M.; Fronczek, Frank R.; Hossain, Alamgir","A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor.","Crystal growth & design","2011","11","4","959","963","10.1021/cg2001859","","","0.71073","MoKα","","0.0997","0.0618","","","0.1449","0.1665","","","","","","1.019","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500725","10.5433","0.0005","11.4203","0.0006","24.5107","0.0015","90","","90","","90","","2951.3","0.3","90","0.5","90","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 I3 N4 S3 -","- C21 H33 I3 N4 S3 -","- C84 H132 I12 N16 S12 -","4","1","","Işiklan, Muhammet; Saeed, Musabbir A.; Pramanik, Avijit; Wong, Bryan M.; Fronczek, Frank R.; Hossain, Alamgir","A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor.","Crystal growth & design","2011","11","4","959","963","10.1021/cg2001859","","","0.71073","MoKα","","0.048","0.038","","","0.081","0.093","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500726","4.8186","0.0013","14.63","0.004","10.239","0.003","90","","99.81","0.005","90","","711.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Nath, Naba K.; Aggarwal, Himanshu; Nangia, Ashwini","Crystal Structure of Methyl Paraben Polymorph II","Crystal Growth & Design","2011","11","4","967","","10.1021/cg2001909","","","0.71073","MoKα","","0.0884","0.0801","","","0.1564","0.1602","","","","","","1.339","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500727","15.7406","0.0006","15.7406","0.0006","36.836","0.003","90","","90","","120","","7904","0.8","293","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C145 H139 Cl3 F6 O33 Sn6 -","- C145 H126 Cl3 F6 O33 Sn6 -","- C290 H252 Cl6 F12 O66 Sn12 -","2","0.166667","","Chandrasekhar, V.; Thilagar, P.; Steiner, A.","Guest-Assisted Self-assembly of Organostannoxane Nanotubules on a Mica Surface","Crystal Growth & Design","2011","11","5","1446","","10.1021/cg2001927","","","0.71073","MoKα","","0.0761","0.0691","","","0.1732","0.1787","","","","","","0.981","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500728","15.901","0.003","15.901","0.003","35.553","0.014","90","","90","","120","","7785","4","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C145 H137 Br6 Cl3 O35 Sn6 -","- C145 H138 Br6 Cl3 O34.98 Sn6 -","- C290 H276 Br12 Cl6 O69.96 Sn12 -","2","0.166667","","Chandrasekhar, V.; Thilagar, P.; Steiner, A.","Guest-Assisted Self-assembly of Organostannoxane Nanotubules on a Mica Surface","Crystal Growth & Design","2011","11","5","1446","","10.1021/cg2001927","","","0.71073","MoKα","","0.0692","0.0436","","","0.1046","0.1175","","","","","","1.013","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500729","11.6","0.001","13.569","0.0012","23.303","0.002","90","","90.567","0.002","90","","3667.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(m-hydroxybenzoic acid).bis(triphenylphosphine)","","- C43 H36 O5 P2 -","- C43 H36 O5 P2 -","- C172 H144 O20 P8 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Bernstein, Joel","An Investigation of the Hydrogen-Bond Preferences and Co-crystallization Behavior of Three Didonor Compounds.","Crystal Growth & Design","2011","11","5","2011","","10.1021/cg2002145","","","0.71073","MoKα","","0.1598","0.0483","","","0.1104","0.1579","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500730","10.32","0.003","21.133","0.007","7.825","0.003","90","","102.105","0.006","90","","1668.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","((RS)-mandelic acid).(acridine)","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Bernstein, Joel","An Investigation of the Hydrogen-Bond Preferences and Co-crystallization Behavior of Three Didonor Compounds.","Crystal Growth & Design","2011","11","5","2011","","10.1021/cg2002145","","","0.71073","MoKα","","0.0926","0.0488","","","0.1267","0.1553","","","","","","1.095","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500731","30.962","0.004","7.3707","0.001","11.2227","0.0015","90","","107.777","0.006","90","","2438.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4-hydroxybenzoic acid).(nicotinamide)","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C104 H96 N16 O32 -","8","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Bernstein, Joel","An Investigation of the Hydrogen-Bond Preferences and Co-crystallization Behavior of Three Didonor Compounds.","Crystal Growth & Design","2011","11","5","2011","","10.1021/cg2002145","","","0.71073","MoKα","","0.0621","0.0412","","","0.117","0.1307","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500732","10.3512","0.0016","16.252","0.0015","19.239","0.002","72.012","0.009","82.716","0.011","72.597","0.011","2935.3","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H158 F6 N24 Ni3 O25 -","- C102 H130 F6 N24 Ni3 O25 -","- C102 H130 F6 N24 Ni3 O25 -","1","0.5","","Meng, Xian-Rui; Zhong, Di-Chang; Jiang, Long; Li, Huan-Yong; Lu, Tong-Bu","Unprecedented Tuning of Structures and Gas Sorption Properties of Two 2D Nickel Metal−Organic Frameworks via Altering the Positions of Fluorine Atoms in Azamacrocyclic Ligands","Crystal Growth & Design","2011","11","5","2020","","10.1021/cg2002157","","","1.54178","CuKα","","0.1328","0.0893","","","0.2258","0.2553","","","","","","1.051","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500733","16.5659","0.0006","17.3791","0.0005","18.8432","0.0006","112.489","0.003","92.471","0.003","102.115","0.003","4854.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H125 F6 N21 Ni3 O16 -","- C93 H125 F6 N21 Ni3 O16 -","- C186 H250 F12 N42 Ni6 O32 -","2","1","","Meng, Xian-Rui; Zhong, Di-Chang; Jiang, Long; Li, Huan-Yong; Lu, Tong-Bu","Unprecedented Tuning of Structures and Gas Sorption Properties of Two 2D Nickel Metal−Organic Frameworks via Altering the Positions of Fluorine Atoms in Azamacrocyclic Ligands","Crystal Growth & Design","2011","11","5","2020","","10.1021/cg2002157","","","1.54178","CuKα","","0.0496","0.0418","","","0.1181","0.1221","","","","","","1.052","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500734","18.64","0.0018","18.64","0.0018","18.64","0.0019","90","0.0017","90","0.0016","90","0.0016","6476.5","1.1","293","2","293","2","","","","","","","","5","P 41 3 2","P 4bd 2ab 3","213","","","","- C9 H3 Co2 N12 O6 -","- C9 H3 Co2 N12 O6 -","- C36 H12 Co8 N48 O24 -","4","0.166667","","Li, Mei-Na; Du, Dong-Ying; Yang, Guang-Sheng; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Qin, Jun-Sheng; Su, Zhong-Min","3D Chiral Microporous (10,3)-a Topology Metal‒Organic Framework Containing Large Helical Channels","Crystal Growth & Design","2011","11","6","2510","","10.1021/cg2002223","","","0.71069","MoKα","","0.0891","0.0417","","","0.0969","0.1112","","","","","","0.894","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4500735","23.482","0.003","16.7231","0.0018","7.7066","0.0008","90","","104.716","0.002","90","","2927","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 N O10 Zn2 -","- C32 H21 N O10 Zn2 -","- C128 H84 N4 O40 Zn8 -","4","0.5","","Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid","Crystal Growth & Design","2011","11","6","2444","","10.1021/cg200229h","","","0.71073","MoKα","","0.0757","0.0563","","","0.1421","0.1483","","","","","","1.096","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500736","9.3243","0.0009","26.939","0.003","14.4535","0.0014","90","","93.068","0.001","90","","3625.3","0.6","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 O29 Zn4 -","- C60 H54 O29 Zn4 -","- C120 H108 O58 Zn8 -","2","0.5","","Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid","Crystal Growth & Design","2011","11","6","2444","","10.1021/cg200229h","","","0.71073","MoKα","","0.0762","0.0451","","","0.0925","0.0987","","","","","","1.013","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500737","8.6801","0.0011","28.708","0.004","13.9279","0.0018","90","","90.91","0.002","90","","3470.2","0.8","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Mn2 O14 -","- C30 H26 Mn2 O14 -","- C120 H104 Mn8 O56 -","4","1","","Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid","Crystal Growth & Design","2011","11","6","2444","","10.1021/cg200229h","","","0.71073","MoKα","","0.0646","0.0491","","","0.1327","0.138","","","","","","1.077","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500738","10.4542","0.0008","13.814","0.001","13.9456","0.0011","77.074","0.001","78.232","0.001","76.91","0.001","1886.8","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Mn N2 O14 -","- C38 H42 Mn N2 O14 -","- C76 H84 Mn2 N4 O28 -","2","1","","Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid","Crystal Growth & Design","2011","11","6","2444","","10.1021/cg200229h","","","0.71073","MoKα","","0.0802","0.0613","","","0.1403","0.1456","","","","","","1.081","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500739","27.636","0.007","4.7444","0.0011","19.233","0.005","90","","122.929","0.002","90","","2116.6","0.9","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 N4 O9 -","- C18 H28 N4 O9 -","- C72 H112 N16 O36 -","4","0.5","","Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors","Crystal Growth & Design","2011","11","9","3698","","10.1021/cg200232b","","","0.71073","MoKα","","0.0572","0.0381","","","0.0813","0.0905","","","","","","1.028","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500740","4.7129","0.0013","10.011","0.003","12.908","0.004","69.426","0.003","87.476","0.003","81.127","0.003","563.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O8 -","- C22 H24 N4 O8 -","- C22 H24 N4 O8 -","1","0.5","","Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors","Crystal Growth & Design","2011","11","9","3698","","10.1021/cg200232b","","","0.71073","MoKα","","0.0767","0.056","","","0.1431","0.1571","","","","","","1.051","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500741","9.5978","0.0014","9.7222","0.0014","13.736","0.002","85.692","0.002","77.323","0.002","73.387","0.002","1198.2","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N4 O9.5 -","- C22 H20 N4 O9.5 -","- C44 H40 N8 O19 -","2","1","","Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors","Crystal Growth & Design","2011","11","9","3698","","10.1021/cg200232b","","","0.71073","MoKα","","0.0894","0.0592","","","0.1602","0.1813","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500742","7.166","0.002","16.621","0.005","10.8","0.004","90","","107.616","0.004","90","","1226","0.7","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O8 -","- C24 H22 N4 O8 -","- C48 H44 N8 O16 -","2","1","","Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors","Crystal Growth & Design","2011","11","9","3698","","10.1021/cg200232b","","","0.71073","MoKα","","0.0848","0.0553","","","0.1353","0.1524","","","","","","0.993","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500743","13.7495","0.0019","13.7495","0.0019","25.533","0.005","90","","90","","90","","4827","1.3","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C60 H94 N12 Ni4 O25 -","- C60 H94 N12 Ni4 O25 -","- C120 H188 N24 Ni8 O50 -","2","0.25","","Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.","Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits","Crystal Growth & Design","2011","11","7","2695","","10.1021/cg200242n","","","0.71073","MoKα","","0.0979","0.0709","","","0.1696","0.1834","","","","","","1.027","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500744","13.7561","0.0003","13.7561","0.0003","25.5306","0.0012","90","","90","","90","","4831.2","0.3","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C60 H86 Cu4 N12 O21 -","- C60 H86 Cu4 N12 O21 -","- C120 H172 Cu8 N24 O42 -","2","0.25","","Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.","Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits","Crystal Growth & Design","2011","11","7","2695","","10.1021/cg200242n","","","0.71073","MoKα","","0.1297","0.1266","","","0.2867","0.2888","","","","","","1.271","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500745","13.7327","0.0015","13.7327","0.0015","25.466","0.006","90","","90","","90","","4802.6","1.4","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C60 H96 N12 Ni4 O26 -","- C60 H96 N12 Ni4 O26 -","- C120 H192 N24 Ni8 O52 -","2","0.25","","Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.","Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits","Crystal Growth & Design","2011","11","7","2695","","10.1021/cg200242n","","","0.71073","MoKα","","0.187","0.1533","","","0.3268","0.3551","","","","","","1.16","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500746","24.5078","0.0015","6.2205","0.0004","7.2839","0.0005","90","","90","","90","","1110.44","0.12","569","2","569","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Amharar, Youness; Petit, Samuel; Sanselme, Morgane; Cartigny, Yohann; Petit, Marie-Noëlle; Coquerel, Gérard","Crystal Structures, Dehydration Mechanism, and Chiral Discrimination in the Solid State of a Hydantoin Derivative","Crystal Growth & Design","2011","11","6","2453","","10.1021/cg200243y","","x-ray","0.71073","MoKα","","0.0324","0.032","","","0.0885","0.0889","","","","","","1.065","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500747","15.774","0.01","6.181","0.004","16.277","0.008","90","","126.02","0.04","90","","1283.6","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","","Amharar, Youness; Petit, Samuel; Sanselme, Morgane; Cartigny, Yohann; Petit, Marie-Noëlle; Coquerel, Gérard","Crystal Structures, Dehydration Mechanism, and Chiral Discrimination in the Solid State of a Hydantoin Derivative","Crystal Growth & Design","2011","11","6","2453","","10.1021/cg200243y","","","0.71073","MoKα","","0.0878","0.0556","","","0.1534","0.1827","","","","","","1.051","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500748","11.2492","0.0002","11.3536","0.0003","13.3378","0.0008","65.508","0.003","81.846","0.006","60.791","0.002","1349.16","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Ag4 N10 O32 W10 -","- C20 H30 Ag4 N10 O32 W10 -","- C20 H30 Ag4 N10 O32 W10 -","1","0.5","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0267","0.0255","","","0.0609","0.0613","","","","","","1.229","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500749","20.5131","0.0002","20.5131","0.0002","33.4645","0.0005","90","","90","","120","","12194.9","0.2","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H41 Ag4 N12 O60 Sb W18 -","- C24 H36 Ag3.96 N12 O60 Sb W18 -","- C144 H216 Ag23.76 N72 O360 Sb6 W108 -","6","0.166667","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","1.54178","CuKα","","0.0529","0.0452","","","0.1321","0.1405","","","","","","1.125","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500750","20.5547","0.0009","20.5547","0.0009","33.1479","0.0019","90","","90","","120","","12128.6","1","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H36 Ag4 Bi N12 O60 W18 -","- C22.2 H30.6 Ag3.93 Bi N10.2 O60 W18 -","- C133.2 H183.6 Ag23.58 Bi6 N61.2 O360 W108 -","6","0.166667","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0753","0.0543","","","0.1327","0.1571","","","","","","1.122","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500751","13.318","0.003","23.362","0.005","23.198","0.005","90","","95.652","0.009","90","","7183","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H70 N7 O66 Sb W18 -","- C13.5 H47.5 N7 O66 Sb W18 -","- C54 H190 N28 O264 Sb4 W72 -","4","1","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0634","0.0415","","","0.0816","0.0886","","","","","","1.041","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500752","12.8261","0.0006","13.0348","0.0005","13.37","0.0005","73.647","0.003","61.499","0.004","89.952","0.003","1861.13","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H80 Bi N7 O71 W18 -","- C14 Bi N7 O71 W18 -","- C14 Bi N7 O71 W18 -","1","0.5","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0379","0.032","","","0.0801","0.0819","","","","","","1.071","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500753","16.5543","0.0003","20.5284","0.0003","22.6908","0.0003","92.776","0.001","109.43","0.001","108.94","0.001","6771.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H179 N10 O60 Sb W18 -","- C37.7 N6 O60 Sb W18 -","- C75.4 N12 O120 Sb2 W36 -","2","1","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0641","0.0394","","","0.1085","0.1137","","","","","","0.93","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500754","42.0448","0.0003","42.0448","0.0003","15.6967","0.0002","90","","90","","90","","27748.1","0.5","150","2","150","2","","","","","","","","6","I 4","I 4","79","","","","- C86 H192 Bi N8 O60 W18 -","- C58.2 Bi N5 O60 W18 -","- C465.6 Bi8 N40 O480 W144 -","8","1","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0657","0.0389","","","0.0787","0.0822","","","","","","0.903","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500755","25.5852","0.0015","29.62","0.0018","58.413","0.004","90","","90","","90","","44267","5","293","2","293","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C20 H16 Cl Cu3 Mo N4 O S3 -","- C20 H16 Cl Cu3 Mo N4 O S3 -","- C640 H512 Cl32 Cu96 Mo32 N128 O32 S96 -","32","1","","Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting","External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation","Crystal Growth & Design","2011","11","8","3448","","10.1021/cg200250m","","","0.71073","MoKα","","0.1116","0.053","","","0.1492","0.1572","","","","","","1.016","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500756","25.569","0.004","29.638","0.004","58.594","0.009","90","","90","","90","","44403","11","296","2","296","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C20 H16 Cl Cu3 N4 O S3 W -","- C20 H16 Cl Cu3 N4 O S3 W -","- C640 H512 Cl32 Cu96 N128 O32 S96 W32 -","32","1","","Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting","External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation","Crystal Growth & Design","2011","11","8","3448","","10.1021/cg200250m","","","0.71073","MoKα","","0.0945","0.0526","","","0.1172","0.1253","","","","","","1.011","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500757","9.783","0.011","14.226","0.016","19.58","0.02","72.595","0.014","78.897","0.014","87.935","0.014","2551","5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Cu3 Mo N8 O2 S4 -","- C34 H31 Cu3 Mo N8 O2 S4 -","- C68 H62 Cu6 Mo2 N16 O4 S8 -","2","1","","Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting","External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation","Crystal Growth & Design","2011","11","8","3448","","10.1021/cg200250m","","","0.71073","MoKα","","0.1002","0.0547","","","0.1453","0.1614","","","","","","0.958","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500758","40.669","0.003","9.7097","0.0007","24.7394","0.0019","90","","105.023","0.001","90","","9435.3","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 Cu3 N9 O4 S4 W -","- C35 H41 Cu3 N9 O4 S4 W -","- C280 H328 Cu24 N72 O32 S32 W8 -","8","1","","Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting","External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation","Crystal Growth & Design","2011","11","8","3448","","10.1021/cg200250m","","","0.71073","MoKα","","0.0473","0.0358","","","0.1059","0.1149","","","","","","1.009","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500759","7.068","0.005","8.481","0.006","14.32","0.01","84.287","0.009","78.229","0.009","69.272","0.008","785.6","1","250","","250","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C34 H32 N4 O10 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.0851","0.0626","","","0.1812","0.2009","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500760","20.222","0.002","6.6626","0.0007","18.9969","0.0019","90","","114.095","0.001","90","","2336.5","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C108 H96 N16 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.0588","0.0399","","","0.0981","0.1101","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500761","21.787","0.002","6.5789","0.0007","19.458","0.002","90","","115.136","0.001","90","","2524.9","0.4","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.0759","0.0448","","","0.1074","0.1252","","","","","","1.038","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500762","26.1395","0.0011","6.5865","0.0003","19.047","0.0007","90","","101.757","0.003","90","","3210.5","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 N4 O5 -","- C41 H32 N4 O5 -","- C164 H128 N16 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.1636","0.0805","","","0.1688","0.1995","","","","","","1.066","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500763","11.0981","0.0003","11.5988","0.0003","21.6744","0.0006","90","","90","","90","","2790.03","0.13","173","","173","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H29 N5 O8 -","- C28 H29 N5 O8 -","- C112 H116 N20 O32 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.0718","0.0592","","","0.1703","0.183","","","","","","1.039","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500764","11.3891","0.0006","11.3891","0.0006","26.872","0.003","90","","90","","120","","3018.6","0.4","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 Eu Li N3 O8 -","- C20 H15 Eu Li N3 O8 -","- C120 H90 Eu6 Li6 N18 O48 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0167","0.0157","","","0.0366","0.037","","","","","","1.082","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500765","11.3686","0.0003","11.3686","0.0003","26.7353","0.0012","90","","90","","120","","2992.47","0.17","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H15 Li N3 O8 Tb -","- C20 H15 Li N3 O8 Tb -","- C120 H90 Li6 N18 O48 Tb6 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0177","0.0165","","","0.0384","0.0389","","","","","","1.133","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500766","11.6684","0.0003","11.6684","0.0003","27.714","0.0016","90","","90","","120","","3267.8","0.2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H15 Eu N3 Na O8 -","- C20 H15 Eu N3 Na O8 -","- C120 H90 Eu6 N18 Na6 O48 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0586","0.0415","","","0.0803","0.0858","","","","","","1.053","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500767","11.6202","0.0007","11.6202","0.0007","27.55","0.003","90","","90","","120","","3221.7","0.4","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 N3 Na O8 Tb -","- C20 H15 N3 Na O8 Tb -","- C120 H90 N18 Na6 O48 Tb6 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0239","0.0202","","","0.0422","0.0433","","","","","","1.063","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500768","10.6936","0.0009","14.702","0.0012","12.9661","0.0011","90","","106.313","0.001","90","","1956.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 K N2 O8 Tb -","- C16 H14 K N2 O8 Tb -","- C64 H56 K4 N8 O32 Tb4 -","4","1","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0304","0.024","","","0.0544","0.0572","","","","","","1.043","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500769","11.201","0.005","14.943","0.005","21.483","0.005","90","0.005","92.096","0.005","90","0.005","3593","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 N24 Ni2 O41 Si W12 -","- C32 H48 N24 Ni2 O41 Si W12 -","- C64 H96 N48 Ni4 O82 Si2 W24 -","2","0.5","","Wang, Xiu-li; Li, Jin; Tian, Ai-xiang; Zhao, Dan; Liu, Guo-cheng; Lin, Hong-yan","Assembly of Three NiII‒Bis(triazole) Complexes by Exerting the Linkage and Template Roles of Keggin Anions","Crystal Growth & Design","2011","11","8","3456","","10.1021/cg200261j","","","0.71069","MoKα","","0.0878","0.0671","","","0.1889","0.1983","","","","","","1.08","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500770","13.8427","0.0012","18.2148","0.0015","26.861","0.002","90","","94.172","0.001","90","","6754.8","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H110 Mo24 N36 Ni2 O86 P2 -","- C60 H98 Mo24 N36 Ni2 O86 P2 -","- C120 H196 Mo48 N72 Ni4 O172 P4 -","2","0.5","","Wang, Xiu-li; Li, Jin; Tian, Ai-xiang; Zhao, Dan; Liu, Guo-cheng; Lin, Hong-yan","Assembly of Three NiII‒Bis(triazole) Complexes by Exerting the Linkage and Template Roles of Keggin Anions","Crystal Growth & Design","2011","11","8","3456","","10.1021/cg200261j","","","0.71073","MoKα","","0.0855","0.0561","","","0.1045","0.1116","","","","","","1.108","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500771","13.0024","0.0008","13.4765","0.0009","19.0107","0.0013","76.294","0.001","85.284","0.001","74.768","0.001","3121.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H88 Mo24 N30 Ni3 O94 P2 -","- C40 H60 Mo24 N30 Ni3 O94 P2 -","- C40 H60 Mo24 N30 Ni3 O94 P2 -","1","0.5","","Wang, Xiu-li; Li, Jin; Tian, Ai-xiang; Zhao, Dan; Liu, Guo-cheng; Lin, Hong-yan","Assembly of Three NiII‒Bis(triazole) Complexes by Exerting the Linkage and Template Roles of Keggin Anions","Crystal Growth & Design","2011","11","8","3456","","10.1021/cg200261j","","","0.71073","MoKα","","0.0785","0.056","","","0.1456","0.1692","","","","","","1.04","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500772","10.832","0.002","11.363","0.004","13.731","0.004","90","","94.53","0.02","90","","1684.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cu2 N11 O2 -","- C12 H11 Cu2 N11 O2 -","- C48 H44 Cu8 N44 O8 -","4","1","","Pinta, Noelia De la; Serna, Zurine; Madariaga, Gotzon; Urtiaga, M. Karmele; Fidalgo, M. Luz; Cortés, Roberto","Ferromagnetic Interactions in an Unusual 2D Coordination Polymer Including Di-2-pyridylketone-Methoxilated Anion, (1,1)-Azide, and Rare (1,1,3,3)-Azide Bridging Ligands","Crystal Growth & Design","2011","11","5","1458","","10.1021/cg200267x","","","0.71073","MoKα","","0.0634","0.0462","","","","0.1285","","","","","","1.095","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500773","22.6523","0.0006","22.6523","0.0006","65.9502","0.0016","90","","90","","120","","29307","1.3","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Zn4O(Me4BPDC)3","","","- C54 H48 O13 Zn4 -","- C54 H48 O13 Zn4 -","- C648 H576 O156 Zn48 -","12","0.333333","","Park, Tae-Hong; Koh, Kyoungmoo; Wong-Foy, Antek G.; Matzger, Adam J.","Nonlinear Properties in Coordination Copolymers Derived from Randomly Mixed Ligands","Crystal Growth & Design","2011","11","6","2059","","10.1021/cg200271e","","","1.54187","CuKα","","0.1042","0.0824","","","0.2275","0.2391","","","","","","1.381","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500774","10.601","0.002","12.185","0.002","16.651","0.003","78.53","0.03","77.04","0.03","80.68","0.03","2038.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H32 Co2 N6 O6 S3 -","- C50 H32 Co2 N6 O6 S3 -","- C100 H64 Co4 N12 O12 S6 -","2","1","","Morgan, Ian S.; Jennings, Michael; Vindigni, Alessandro; Clérac, Rodolphe; Preuss, Kathryn E.","[TDNQ][CoCp*2] and [TDNQ]3[CoCp2]2; Radical Anions of a 1,2,5-Thiadiazolo-naphthoquinone","Crystal Growth & Design","2011","11","6","2520","","10.1021/cg2002783","","","0.71073","MoKα","","0.0604","0.0419","","","0.0954","0.1043","","","","","","1.041","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500775","10.359","0.003","11.832","0.003","15.753","0.004","90.486","0.005","102.525","0.004","105.695","0.004","1809.9","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H40 Cl6 Co N2 O2 S -","- C33 H40 Cl6 Co N2 O2 S -","- C66 H80 Cl12 Co2 N4 O4 S2 -","2","1","","Morgan, Ian S.; Jennings, Michael; Vindigni, Alessandro; Clérac, Rodolphe; Preuss, Kathryn E.","[TDNQ][CoCp*2] and [TDNQ]3[CoCp2]2; Radical Anions of a 1,2,5-Thiadiazolo-naphthoquinone","Crystal Growth & Design","2011","11","6","2520","","10.1021/cg2002783","","","0.71073","MoKα","","0.1389","0.0668","","","0.1424","0.1727","","","","","","0.998","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500776","8.0336","0.0011","5.5785","0.0007","51.75","0.008","90","","90","","90","","2319.2","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","DH74","","","- C29 H24 O6 Zn -","- C29 H24 O6 Zn -","- C116 H96 O24 Zn4 -","4","1","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.71073","MoKα","","0.0746","0.0708","","","0.1498","0.1517","","","","","","1.153","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500777","48.786","0.009","5.6211","0.0011","16.53","0.003","90","","96.074","0.003","90","","4507.6","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dh17","","","- C52 H42 O14 Zn5 -","- C52 H42 O14 Zn5 -","- C208 H168 O56 Zn20 -","4","0.5","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.71073","MoKα","","0.0684","0.0426","","","0.0969","0.1058","","","","","","1.018","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500778","45.229","0.014","6.5476","0.0019","7.2194","0.0018","90","","90.32","0.02","90","","2137.9","1.1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Mg O6 -","- C26 H18 Mg O6 -","- C104 H72 Mg4 O24 -","4","0.5","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.71073","MoKα","","0.2394","0.2054","","","0.5518","0.5659","","","","","","2.341","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500779","52.27","0.03","5.618","0.003","8.091","0.004","90","","94.773","0.006","90","","2368","2","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H24 O6 Zn -","- C29 H24 O6 Zn -","- C116 H96 O24 Zn4 -","4","1","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.6889","synchrotron","","0.096","0.0608","","","0.115","0.1312","","","","","","1.054","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500780","6.353","0.0002","6.5278","0.0002","8.3716","0.0002","80.297","0.001","78.226","0.001","89.048","0.001","334.956","0.017","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C12 H20 N4 O4 -","2","1","","Chambrier, Marie-Hélène; Bouhmaida, Nouzha; Bonhomme, François; Lebègue, Sébastien; Gillet, Jean-Michel; Jelsch, Christian; Ghermani, Nour Eddine","Electron and Electrostatic Properties of Three Crystal Forms of Piracetam","Crystal Growth & Design","2011","11","6","2528","","10.1021/cg200291t","","","0.71073","MoKα","","0.037","0.0258","","","0.0227","0.0242","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500781","6.4539","0.0005","6.3857","0.0005","16.1814","0.001","90","","92.057","0.005","90","","666.45","0.08","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Chambrier, Marie-Hélène; Bouhmaida, Nouzha; Bonhomme, François; Lebègue, Sébastien; Gillet, Jean-Michel; Jelsch, Christian; Ghermani, Nour Eddine","Electron and Electrostatic Properties of Three Crystal Forms of Piracetam","Crystal Growth & Design","2011","11","6","2528","","10.1021/cg200291t","","","0.71073","MoKα","","0.0352","0.0259","","","0.026","0.0273","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500782","6.9234","0.0002","7.4453","0.0002","9.0909","0.0002","97.948","0.001","103.971","0.001","115.797","0.001","393.225","0.019","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C12 H24 N4 O6 -","2","1","","Chambrier, Marie-Hélène; Bouhmaida, Nouzha; Bonhomme, François; Lebègue, Sébastien; Gillet, Jean-Michel; Jelsch, Christian; Ghermani, Nour Eddine","Electron and Electrostatic Properties of Three Crystal Forms of Piracetam","Crystal Growth & Design","2011","11","6","2528","","10.1021/cg200291t","","","0.71073","MoKα","","0.0296","0.0243","","","0.0274","0.028","","","","","","1.35","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500783","19.973","0.002","38.081","0.004","24.667","0.005","90","","109.31","0.001","90","","17706","4","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H156 Cl5 Cu17 N60 O6 -","- C168 Cl5 Cu17 N60 O6 -","- C672 Cl20 Cu68 N240 O24 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0694","0.064","","","0.2347","0.2511","","","","","","1.034","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500784","20.014","0.005","37.956","0.008","25.085","0.008","90","","109.384","0.003","90","","17976","8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H154 Cl5 Cu17 N60 O5 -","- C168 H144 Cl5 Cu17 N60 O5 -","- C672 H576 Cl20 Cu68 N240 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0459","0.0395","","","0.0996","0.1124","","","","","","1.034","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500785","20.014","0.005","37.956","0.008","25.085","0.008","90","","109.384","0.003","90","","17976","8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H154 Cl5 Cu17 N60 O5 -","- C168 H144 Cl5 Cu17 N60 O5 -","- C672 H576 Cl20 Cu68 N240 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0457","0.04","","","0.1052","0.11","","","","","","1.012","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500786","20.014","0.005","37.956","0.008","25.085","0.008","90","","109.384","0.003","90","","17976","8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H150 Cl5 Cu17 N60 O3 -","- C168 H144 Cl5 Cu17 N60 O3 -","- C672 H576 Cl20 Cu68 N240 O12 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0449","0.0393","","","0.1036","0.1082","","","","","","1.035","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500787","20.014","0.005","37.956","0.008","25.085","0.008","90","","109.384","0.003","90","","17976","8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H154 Br5 Cu17 N60 O5 -","- C168 H144 Br5 Cu17 N60 O5 -","- C672 H576 Br20 Cu68 N240 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0497","0.0463","","","0.1525","0.1571","","","","","","1.089","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500788","20.015","0.003","38.064","0.006","25.197","0.006","90","","109.846","0.003","90","","18056","6","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H150 Br5 Cu17 N60 O3 -","- C168 H144 Br5 Cu17 N60 O3 -","- C672 H576 Br20 Cu68 N240 O12 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0526","0.0438","","","0.1268","0.1363","","","","","","1.036","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500789","15.604","0.003","11.804","0.002","42.692","0.009","90","","92.43","0.03","90","","7856","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C139 H139 Cl2 N25 Nd4 O40 -","- C139 H139 Cl2 N25 Nd4 O40 -","- C278 H278 Cl4 N50 Nd8 O80 -","2","0.5","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.1125","0.0838","","","0.1924","0.2135","","","","","","1.113","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500790","13.003","0.003","16.449","0.003","40.207","0.008","90","","90","","90","","8600","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C122 H95 Cl2 Eu4 N19 O33 -","- C122 H95 Cl2 Eu4 N19 O33 -","- C244 H190 Cl4 Eu8 N38 O66 -","2","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.1043","0.0793","","","0.1654","0.18","","","","","","1.028","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500791","12.768","0.003","16.619","0.003","39.917","0.008","90","","90","","90","","8470","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C120 H92 Cl2 N18 O33 Yb4 -","- C120 H92 Cl2 N18 O33 Yb4 -","- C240 H184 Cl4 N36 O66 Yb8 -","2","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.0879","0.0787","","","0.2166","0.2285","","","","","","1.065","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500792","11.2863","0.0016","11.2863","0.0016","50.133","0.01","90","","90","","90","","6386","1.8","223","2","223","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C61 H50 N10 Nd O16 -","- C61 H50.04 N10 Nd O16 -","- C244 H200.16 N40 Nd4 O64 -","4","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.1059","0.0822","","","0.1651","0.1782","","","","","","1.068","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500793","11.2815","0.0016","11.2815","0.0016","49.769","0.01","90","","90","","90","","6334.2","1.8","223","2","223","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C61 H50 Eu N10 O16 -","- C61 H50.04 Eu N10 O16 -","- C244 H200.16 Eu4 N40 O64 -","4","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.0978","0.0791","","","0.1966","0.2124","","","","","","1.097","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500794","11.3086","0.0016","11.3086","0.0016","49.019","0.01","90","","90","","90","","6268.8","1.8","223","2","223","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C61 H50 N10 O16 Yb -","- C61 H50.04 N10 O16 Yb -","- C244 H200.16 N40 O64 Yb4 -","4","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.0936","0.0771","","","0.1819","0.1935","","","","","","1.143","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500795","20.0403","0.0011","20.0403","0.0011","21.4606","0.0012","90","","90","","90","","8618.9","0.8","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C52 H40 I8 O14 Si8 -","- C48 H32 I8 O12 Si8 -","- C192 H128 I32 O48 Si32 -","4","0.25","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0915","0.074","","","0.2186","0.2302","","","","","","1.134","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500796","28.054","0.002","15.6168","0.0011","22.3246","0.0016","90","","108.859","0.001","90","","9255.7","1.1","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H40 I10 O15 Si10 -","- C60 H40 I10 O15 Si10 -","- C240 H160 I40 O60 Si40 -","4","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0492","0.0461","","","0.1152","0.117","","","","","","1.058","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500797","32.082","0.009","14.704","0.004","28.755","0.008","90","","118.438","0.004","90","","11928","6","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H88 I12 O18 Si12 -","- C104 H88 I12 O18 Si12 -","- C416 H352 I48 O72 Si48 -","4","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.1064","0.0919","","","0.2732","0.2885","","","","","","1.093","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500798","20.5738","0.001","20.5738","0.001","36.261","0.004","90","","90","","90","","15349","2","85","2","85","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H57 Br8 O12 Si8 -","- C64 H52 Br8 O12 Si8 -","- C512 H416 Br64 O96 Si64 -","8","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0626","0.0526","","","0.146","0.153","","","","","","1.089","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500799","12.7172","0.0009","12.7392","0.0009","13.089","0.0009","97.592","0.001","109.075","0.001","116.231","0.001","1699.3","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H24 Br16 O12 S2 Si8 -","- C49 H24 Br16 O12 S2 Si8 -","- C49 H24 Br16 O12 S2 Si8 -","1","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0313","0.027","","","0.0742","0.0765","","","","","","1.045","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500800","15.5726","0.001","20.4685","0.0013","20.6449","0.0013","65.399","0.001","74.616","0.001","82.172","0.001","5766.3","0.6","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H36 Br24 Cl5 O12 Si8 -","- C54 H20 Br24 Cl2 O12 Si8 -","- C108 H40 Br48 Cl4 O24 Si16 -","2","1","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0757","0.0629","","","0.1935","0.2024","","","","","","1.089","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500801","28.33","0.003","27.766","0.003","9.9055","0.0011","90","","90","","90","","7791.8","1.5","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C57 H56 N16 O16 Zn2 -","- C57 H56 N16 O16 Zn2 -","- C228 H224 N64 O64 Zn8 -","4","0.5","","Yao, Xiao-Qiang; Zhang, Ming-Dao; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Two Porous Zinc Coordination Polymers with (10,3) Topological Features Based on a N-Centered Tripodal Ligand and the Conversion of a (10,3)-d Subnet to a (10,3)-a Subnet","Crystal Growth & Design","2011","11","7","3039","","10.1021/cg200315f","","","0.71073","MoKα","","0.0797","0.0506","","","0.0959","0.1","","","","","","1.007","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500802","7.9114","0.0011","14.2572","0.0019","29.557","0.002","90","","90","","90","","3333.9","0.7","291","2","291","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C59 H52 N16 O12 Zn2 -","- C59 H52 N16 O12 Zn2 -","- C118 H104 N32 O24 Zn4 -","2","0.5","","Yao, Xiao-Qiang; Zhang, Ming-Dao; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Two Porous Zinc Coordination Polymers with (10,3) Topological Features Based on a N-Centered Tripodal Ligand and the Conversion of a (10,3)-d Subnet to a (10,3)-a Subnet","Crystal Growth & Design","2011","11","7","3039","","10.1021/cg200315f","","","0.71073","MoKα","","0.0845","0.0678","","","0.1412","0.1452","","","","","","1.067","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500803","9.4124","0.0019","14.645","0.003","12.444","0.004","90","","129.841","0.018","90","","1317.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-ethyl-3-methylimidazolium tetrachloroferrat(III)","","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","1","","Bäcker, Tobias; Breunig, Oliver; Valldor, Martin; Merz, Klaus; Vasylyeva, Vera; Mudring, Anja-Verena","In-Situ Crystal Growth and Properties of the Magnetic Ionic Liquid [C2mim][FeCl4]","Crystal Growth & Design","2011","11","6","2564","","10.1021/cg200326n","","","0.71073","MoKα","","0.159","0.0982","","","0.2509","0.3296","","","","","","1.047","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500804","6.1337","0.0012","14.362","0.003","7.1111","0.0014","90","","91.33","0.03","90","","626.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C12 H22 Cl8 Fe2 N4 -","2","1","","Bäcker, Tobias; Breunig, Oliver; Valldor, Martin; Merz, Klaus; Vasylyeva, Vera; Mudring, Anja-Verena","In-Situ Crystal Growth and Properties of the Magnetic Ionic Liquid [C2mim][FeCl4]","Crystal Growth & Design","2011","11","6","2564","","10.1021/cg200326n","","","0.71073","MoKα","","0.1857","0.1425","","","0.3397","0.3707","","","","","","2.116","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500805","12.3475","0.0005","11.1929","0.0005","28.6734","0.0012","90","","98.816","0.001","90","","3916","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Mg3 N7 O16 -","- C33 H37 Mg3 N7 O16 -","- C132 H148 Mg12 N28 O64 -","4","1","","Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.","Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents","Crystal Growth & Design","2011","11","6","2572","","10.1021/cg200327y","","","0.41328","synchrotron","","0.0769","0.053","","","0.1382","0.1517","","","","","","1.037","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500806","9.9364","0.0005","12.0694","0.0006","7.2763","0.0004","90","","106.497","0.0006","90","","836.7","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Mg N O6 -","- C7 H7 Mg N O6 -","- C28 H28 Mg4 N4 O24 -","4","0.5","","Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.","Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents","Crystal Growth & Design","2011","11","6","2572","","10.1021/cg200327y","","","0.7709","","","0.0537","0.052","","","0.1602","0.1621","","","","","","1.066","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500807","11.4799","0.0014","11.4799","0.0014","14.735","0.003","90","","90","","120","","1681.7","0.4","298","2","298","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C7 H3 Mg N O5 -","- C7 H3 Mg N O5 -","- C42 H18 Mg6 N6 O30 -","6","0.5","","Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.","Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents","Crystal Growth & Design","2011","11","6","2572","","10.1021/cg200327y","","","0.71073","MoKα","","0.0275","0.0251","","","0.0711","0.0719","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500808","13.7442","0.0014","14.2887","0.0015","14.1178","0.0014","90","","104.912","0.002","90","","2679.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Mg4 N8 O26.5 -","- C40 H44 Mg4 N8 O26.504 -","- C80 H88 Mg8 N16 O53.008 -","2","0.5","","Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.","Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents","Crystal Growth & Design","2011","11","6","2572","","10.1021/cg200327y","","","0.71073","MoKα","","0.0766","0.0477","","","0.1246","0.1396","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500809","5.5343","0.0008","14.61","0.002","15.176","0.002","90","","92.342","0.002","90","","1226","0.3","200","2","200","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Waldschmidt, Audrey; Rietveld, Ivo; Couvrat, Nicolas; Dupray, Valérie; Sanselme, Morgane; Berton, Benjamin; Nicolai, Béatrice; Mahé, Nathalie; Petit, Samuel; Céolin, René; Coquerel, Gérard","About Aged Heterogeneous Liquid Inclusions Inside Organic Crystals in Relation to Crystal Formation, Structure, and Morphology","Crystal Growth & Design","2011","11","6","2580","","10.1021/cg200331n","","x-ray","0.71073","MoKα","","0.0414","0.0385","","","0.1042","0.1069","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500810","5.6103","0.0007","14.6856","0.0018","15.5496","0.0019","90","","92.043","0.002","90","","1280.3","0.3","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Waldschmidt, Audrey; Rietveld, Ivo; Couvrat, Nicolas; Dupray, Valérie; Sanselme, Morgane; Berton, Benjamin; Nicolai, Béatrice; Mahé, Nathalie; Petit, Samuel; Céolin, René; Coquerel, Gérard","About Aged Heterogeneous Liquid Inclusions Inside Organic Crystals in Relation to Crystal Formation, Structure, and Morphology","Crystal Growth & Design","2011","11","6","2580","","10.1021/cg200331n","","x-ray","0.71073","MoKα","","0.0528","0.0432","","","0.1242","0.1325","","","","","","1.005","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500811","8.477","0.005","8.795","0.005","8.929","0.005","92.248","0.005","95.825","0.005","98.076","0.005","654.7","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H15 Ga N2 O8 P2 -","- C5 H15 Ga N2 O8 P2 -","- C10 H30 Ga2 N4 O16 P4 -","2","1","","Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates","Crystal Growth & Design","2011","11","7","3065","","10.1021/cg200332y","","","0.71073","MoKα","","0.0285","0.026","","0.0695","0.0677","0.0666","","","","","","1.0017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500812","8.451","0.0019","8.777","0.002","8.928","0.002","92.195","0.003","95.709","0.003","98.509","0.003","650.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H15 Ga N2 O8 P2 -","- C5 H15 Ga N2 O8 P2 -","- C10 H30 Ga2 N4 O16 P4 -","2","1","","Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates","Crystal Growth & Design","2011","11","7","3065","","10.1021/cg200332y","","","0.71073","MoKα","","0.0301","0.027","","0.0749","0.0732","0.0722","","","","","","0.8254","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500813","15.1432","0.0017","8.9454","0.001","8.973","0.001","90","","90","","90","","1215.5","0.2","100","","100","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C5 H15 Ga N2 O8 P2 -","- C5 H15 Ga N2 O8 P2 -","- C20 H60 Ga4 N8 O32 P8 -","4","0.5","","Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates","Crystal Growth & Design","2011","11","7","3065","","10.1021/cg200332y","","","0.71073","MoKα","","0.081","0.0574","","0.1124","0.1014","0.0933","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500814","8.899","0.004","15.087","0.007","8.923","0.004","90","","90.114","0.007","90","","1198","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H15 Ga N2 O8 P2 -","- C5 H15 Ga N2 O8 P2 -","- C20 H60 Ga4 N8 O32 P8 -","4","1","","Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates","Crystal Growth & Design","2011","11","7","3065","","10.1021/cg200332y","","","0.71073","MoKα","","0.1098","0.0654","","0.1494","0.1285","0.1176","","","","","","0.9898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500815","8.006","0.0005","9.3913","0.0005","13.4786","0.0008","74.611","0.003","75.053","0.003","86.102","0.003","944.02","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N4 O5 S -","- C19 H20 N4 O5 S -","- C38 H40 N8 O10 S2 -","2","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0527","0.0458","","","0.118","0.1288","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500816","7.9671","0.0003","9.4629","0.0004","13.9432","0.0006","73.662","0.002","74.468","0.002","87.24","0.002","971.5","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N4 O6 S -","- C19 H20 N4 O6 S -","- C38 H40 N8 O12 S2 -","2","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.049","0.0395","","","0.1312","0.1452","","","","","","1.176","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500817","8.107","0.0004","17.5194","0.0008","14.7732","0.0007","90","","93.767","0.003","90","","2093.7","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 N4 O4 S -","- C19 H18 Cl2 N4 O4 S -","- C76 H72 Cl8 N16 O16 S4 -","4","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0734","0.0411","","","0.1","0.1309","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500818","8.6932","0.0004","17.0624","0.0007","14.2695","0.0006","90","","106.554","0.003","90","","2028.82","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O4 S -","- C18 H22 N4 O4 S -","- C72 H88 N16 O16 S4 -","4","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0562","0.0412","","","0.123","0.1587","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500819","11.4148","0.0007","20.1672","0.0012","14.8653","0.0009","90","","90","","90","","3422.1","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H35 N9 O8 S2 -","- C30 H32 N9 O8 S2 -","- C120 H128 N36 O32 S8 -","4","0.5","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0402","0.0349","","","0.0994","0.1091","","","","","","0.812","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500820","12.1076","0.0008","13.5903","0.0009","14.7508","0.001","77.756","0.001","66.198","0.001","85.237","0.001","2170.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N4 O5 S -","- C23 H22 N4 O5 S -","- C92 H88 N16 O20 S4 -","4","2","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0445","0.0355","","","0.0978","0.1064","","","","","","1.039","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500821","8.4321","0.0007","12.969","0.0011","17.5247","0.0016","90","","94.2","0.006","90","","1911.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N5 O3 S -","- C19 H21 N5 O3 S -","- C76 H84 N20 O12 S4 -","4","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0966","0.086","","","0.2174","0.2253","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500822","9.684","0.004","15.716","0.006","25.31","0.009","90","","90","","90","","3852","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N6 O3 S -","- C18 H20 N6 O3 S -","- C144 H160 N48 O24 S8 -","8","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0862","0.0475","","","0.1094","0.142","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500823","8.3238","0.0006","9.5864","0.0008","14.0808","0.0011","109.249","0.002","95.432","0.002","106.165","0.002","997.06","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N5 O4 S -","- C19 H20 N5 O4 S -","- C38 H40 N10 O8 S2 -","2","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0614","0.0472","","","0.1551","0.1865","","","","","","0.783","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500824","8.5398","0.0004","18.2753","0.0007","13.3498","0.0005","90","","105.792","0.002","90","","2004.83","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N5 O4 S -","- C19 H21 N5 O4 S -","- C76 H84 N20 O16 S4 -","4","2","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0429","0.0361","","","0.0957","0.1014","","","","","","1.04","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500825","6.7701","0.0004","16.6846","0.0011","18.9656","0.0012","90","","90","","90","","2142.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N4 O5 S -","- C23 H22 N4 O5 S -","- C92 H88 N16 O20 S4 -","4","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.029","0.0272","","","0.08","0.083","","","","","","0.895","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500826","9.9016","0.0019","16.818","0.003","23.978","0.005","90","","95.093","0.002","90","","3977.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 Cs2 F O24 P4 U2 -","- C28 H16 Cs2 F O24 P4 U2 -","- C112 H64 Cs8 F4 O96 P16 U8 -","4","1","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.073","0.0385","","","0.0585","0.0635","","","","","","0.868","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500827","14.1905","0.0012","15.1412","0.0013","21.4178","0.0018","85.019","0.001","88.303","0.001","88.252","0.001","4580.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 Cs4 O59 P8 U6 -","- C56 H32 Cs4 O59 P8 U6 -","- C112 H64 Cs8 O118 P16 U12 -","2","1","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.071","0.0396","","","0.0785","0.0851","","","","","","0.912","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500828","22.0556","0.0018","20.5225","0.0016","11.9563","0.0009","90","","90","","90","","5411.9","0.7","103","2","103","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H12 Cs3 O28 P3 U3 -","- C21 H12 Cs3 O28 P3 U3 -","- C84 H48 Cs12 O112 P12 U12 -","4","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.0603","0.0423","","","0.1222","0.1327","","","","","","1.072","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500829","8.2956","0.0008","12.9202","0.0013","23.109","0.002","90","","90","","90","","2476.8","0.4","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H8 Ba F2 O16 P2 U2 -","- C14 H8 Ba F2 O16 P2 U2 -","- C56 H32 Ba4 F8 O64 P8 U8 -","4","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.0515","0.0402","","","0.0837","0.086","","","","","","1.319","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500830","10.9737","0.0006","13.7663","0.0011","14.7029","0.0011","110.812","0.003","98.887","0.005","90.371","0.004","2046.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H94 N26 O40 U4 -","- C56 H90 N26 O40 U4 -","- C56 H90 N26 O40 U4 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0321","0.0263","","","0.0691","0.0716","","","","","","1.027","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500831","10.8119","0.0003","13.8031","0.0003","15.1715","0.0004","72.374","0.001","86.505","0.001","89.934","0.002","2153.5","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H92 N26 O37 U4 -","- C58 H86 N26 O37 U4 -","- C58 H86 N26 O37 U4 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.049","0.0422","","","0.1143","0.117","","","","","","1.1","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500832","13.8427","0.0004","10.8346","0.0006","27.9882","0.0015","90","","97.554","0.003","90","","4161.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H98 N26 O40 U4 -","- C58 H94 N26 O40 U4 -","- C116 H188 N52 O80 U8 -","2","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0872","0.0708","","","0.1588","0.1635","","","","","","1.204","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500833","19.8332","0.0019","17.3585","0.0013","16.4723","0.0013","90","","110.505","0.005","90","","5311.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H104 N34 O46 U4 -","- C70 H96 N34 O46 U4 -","- C140 H192 N68 O92 U8 -","2","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0802","0.0464","","","0.0986","0.1091","","","","","","0.983","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500834","12.573","0.0006","15.38","0.0006","20.3515","0.0009","88.261","0.002","89.67","0.002","73.475","0.002","3771.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N25 O33.5 U3 -","- C52 H69 N25 O33.5 U3 -","- C104 H138 N50 O67 U6 -","2","1","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0568","0.0419","","","0.1143","0.1225","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500835","14.1924","0.0009","14.4051","0.001","17.9721","0.0013","75.762","0.003","71.555","0.004","74.542","0.004","3306.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H166 N28 O45 U4 -","- C104 H164 N28 O45 U4 -","- C104 H164 N28 O45 U4 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.064","0.0464","","","0.1159","0.1229","","","","","","1.055","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500836","11.4855","0.0006","17.7608","0.0009","17.8932","0.0004","81.984","0.003","81.888","0.003","71.627","0.002","3411.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H143 Ca2 N25 O71 U8 -","- C87 H131 Ca2 N25 O71 U8 -","- C87 H131 Ca2 N25 O71 U8 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0531","0.0398","","","0.0917","0.0968","","","","","","1.039","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500837","10.8713","0.0007","16.6696","0.0006","17.9276","0.001","100.306","0.003","95.584","0.003","91.732","0.004","3177.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H147 N27 O62 Sr2 U6 -","- C93 H145 N27 O62 Sr2 U6 -","- C93 H145 N27 O62 Sr2 U6 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0506","0.0428","","","0.1079","0.111","","","","","","1.13","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500838","10.9467","0.0004","17.8697","0.0008","18.8015","0.0008","95.149","0.002","99.457","0.003","90.872","0.003","3611.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H162 N26 O66 Sr2 U8 -","- C102 H150 N26 O66 Sr2 U8 -","- C102 H150 N26 O66 Sr2 U8 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.049","0.0384","","","0.1038","0.1076","","","","","","1.05","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500839","4.9895","0.0003","11.2668","0.0006","13.4131","0.0008","89.004","0.002","97.499","0.002","100.658","0.002","734.66","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O8 -","- C16 H15 N O8 -","- C32 H30 N2 O16 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0718","0.0515","","","0.1243","0.1364","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500840","10.134","0.0004","10.3552","0.0004","10.7436","0.0006","78.1625","0.0016","89.43","0.002","65.239","0.003","998.34","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 La N2 O10 -","- C18 H19 La N2 O10 -","- C36 H38 La2 N4 O20 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.048","0.0365","","","0.0799","0.0848","","","","","","1.031","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500841","9.5211","0.0004","9.9835","0.0004","11.4843","0.0005","96.342","0.002","97.063","0.002","111.763","0.0019","991.6","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 N3 Nd2 O22 -","- C33 H37 N3 Nd2 O22 -","- C33 H37 N3 Nd2 O22 -","1","0.5","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0472","0.0394","","","0.0996","0.1042","","","","","","1.072","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500842","9.6047","0.0004","10.0427","0.0004","11.4589","0.0005","96.126","0.002","97.2065","0.0017","111.858","0.0019","1003.5","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 Ce2 N3 O22 -","- C33 H37 Ce2 N3 O22 -","- C33 H37 Ce2 N3 O22 -","1","0.5","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0538","0.0427","","","0.0972","0.102","","","","","","1.053","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500843","9.9873","0.0003","12.3715","0.0004","15.289","0.0007","98.1485","0.0016","108.836","0.0017","105.377","0.003","1669.55","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 Ni O9 -","- C25 H21 N3 Ni O9 -","- C50 H42 N6 Ni2 O18 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0988","0.0596","","","0.1563","0.1693","","","","","","0.933","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500844","10.0171","0.0003","12.4196","0.0004","15.3363","0.0005","98.9554","0.0015","108.475","0.001","105.042","0.0015","1687.66","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Co N3 O9 -","- C25 H21 Co N3 O9 -","- C50 H42 Co2 N6 O18 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.1061","0.0648","","","0.1723","0.1895","","","","","","0.944","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500845","19.8252","0.0005","22.6037","0.0005","14.7099","0.0004","90","","106.653","0.0013","90","","6315.4","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N3 Ni O10 -","- C27 H23 N3 Ni O10 -","- C216 H184 N24 Ni8 O80 -","8","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.1154","0.0619","","","0.1478","0.1642","","","","","","0.909","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500846","9.7118","0.0002","10.7141","0.0002","12.0639","0.0003","87.8804","0.0006","84.6264","0.0006","69.6892","0.0007","1172.05","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O9 Zn -","- C25 H21 N3 O9 Zn -","- C50 H42 N6 O18 Zn2 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0423","0.0351","","","0.0923","0.0993","","","","","","1.048","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500847","8.88","0.0003","9.563","0.0004","13.438","0.0006","75.128","0.002","73.219","0.003","67.246","0.002","993.84","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N2 O8 Zn -","- C21 H15 N2 O8 Zn -","- C42 H30 N4 O16 Zn2 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.1448","0.0736","","","0.191","0.2285","","","","","","1.07","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500848","8.6344","0.0004","13.7688","0.0006","15.5455","0.0009","89.0045","0.0017","89.3352","0.0019","77.349","0.002","1802.93","0.16","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N4 O9 Zn -","- C33 H30 N4 O9 Zn -","- C66 H60 N8 O18 Zn2 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0933","0.062","","","0.1187","0.1287","","","","","","1.032","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500849","13.3976","0.0002","14.4423","0.0003","14.5635","0.0004","70.3962","0.0007","65.2936","0.0007","68.9087","0.0013","2330.82","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 Ag3 N7 O12 -","- C45 H43 Ag3 N7 O12 -","- C90 H86 Ag6 N14 O24 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0977","0.055","","","0.1298","0.147","","","","","","0.962","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500850","9.8468","0.0002","14.091","0.0003","19.5261","0.0004","85.1605","0.0008","78.4046","0.0009","82.902","0.0012","2628.7","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H57 Ag3 N8 O16 -","- C51 H57 Ag3 N8 O16 -","- C102 H114 Ag6 N16 O32 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.1052","0.0585","","","0.1447","0.1728","","","","","","1.001","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500851","11.211","0.003","12.244","0.003","8.541","0.002","90","","90","","90","","1172.4","0.5","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C17 H27 Cu4 N11 -","- C17 H25 Cu4 N11 -","- C34 H50 Cu8 N22 -","2","0.25","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0529","0.0481","","","0.1109","0.1137","","","","","","1.174","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500852","11.361","0.007","12.393","0.008","8.44","0.006","90","","90","","90","","1188.3","1.4","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C19 H32 Cu4 N11 -","- C19 H30 Cu4 N11 -","- C38 H60 Cu8 N22 -","2","0.25","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0445","0.0345","","","0.1038","0.1216","","","","","","1.266","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500853","16.3232","0.0016","8.7492","0.0009","10.9207","0.0011","90","","90","","90","","1559.6","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H16 Cu3 N7 -","- C11 H16 Cu3 N7 -","- C44 H64 Cu12 N28 -","4","0.5","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0699","0.0586","","","0.1583","0.1651","","","","","","1.069","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500854","14.444","0.0018","12.5254","0.0015","13.3074","0.0016","90","","90","","90","","2407.5","0.5","140","2","140","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H14 Cu4 N8 -","- C12 H15 Cu4 N7 -","- C48 H60 Cu16 N28 -","4","0.5","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0912","0.0861","","","0.2363","0.2539","","","","","","1.184","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500855","49.052","0.006","9.5736","0.0011","20.209","0.002","90","","103.244","0.001","90","","9237.8","1.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H90 Co6 N10 O33 -","- C96 H90 Co6 N10 O33 -","- C384 H360 Co24 N40 O132 -","4","0.5","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","CoIIand ZnIICoordination Frameworks with Benzene-1,2,3-tricarboxylate Tecton and Flexible Dipyridyl Co-Ligand: A New Type of Entangled Architecture and a Unique 4-Connected Topological Network","Crystal Growth & Design","2011","11","8","3309","","10.1021/cg200366a","","","0.71073","MoKα","","0.0499","0.0349","","","0.0803","0.0883","","","","","","1.024","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500856","9.8885","0.0011","10.9627","0.0012","17.946","0.002","90","","91.271","0.001","90","","1945","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O7 Zn2 -","- C21 H16 N2 O7 Zn2 -","- C84 H64 N8 O28 Zn8 -","4","1","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","CoIIand ZnIICoordination Frameworks with Benzene-1,2,3-tricarboxylate Tecton and Flexible Dipyridyl Co-Ligand: A New Type of Entangled Architecture and a Unique 4-Connected Topological Network","Crystal Growth & Design","2011","11","8","3309","","10.1021/cg200366a","","","0.71073","MoKα","","0.0539","0.0356","","","0.0801","0.0892","","","","","","1.031","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500857","21.209","0.002","22.825","0.002","18.1999","0.0018","90","","90","","90","","8810.5","1.4","291","2","291","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C126 H120 F0 N2 O71 Zn14 -","- C126 H120 N2 O71 Zn14 -","- C252 H240 N4 O142 Zn28 -","2","0.25","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Three New Coordination Polymers Based on One Reduced Symmetry Tripodal Linker","Crystal Growth & Design","2011","11","7","3115","","10.1021/cg2003673","","","0.71073","MoKα","","0.0835","0.0544","","","0.1123","0.1187","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500858","7.1422","0.0016","21.211","0.005","22.181","0.005","62.412","0.004","81.392","0.004","89.538","0.004","2937.5","1.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H39 Cd3 N O17 -","- C46 H39 Cd3 N O17 -","- C92 H78 Cd6 N2 O34 -","2","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Three New Coordination Polymers Based on One Reduced Symmetry Tripodal Linker","Crystal Growth & Design","2011","11","7","3115","","10.1021/cg2003673","","","0.71073","MoKα","","0.0856","0.0518","","","0.1452","0.1696","","","","","","1.058","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4500859","24.636","0.003","12.0873","0.0016","24.464","0.003","90","","115.818","0.002","90","","6557.8","1.4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H26 Co N4 O6 -","- C39 H26 Co N4 O6 -","- C312 H208 Co8 N32 O48 -","8","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Three New Coordination Polymers Based on One Reduced Symmetry Tripodal Linker","Crystal Growth & Design","2011","11","7","3115","","10.1021/cg2003673","","","0.71073","MoKα","","0.097","0.0565","","","0.0766","0.0831","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500860","11.226","0.002","21.458","0.004","22.428","0.004","106.694","0.002","92.651","0.002","104.983","0.001","4956.4","1.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C128 H98 O4 -","- C128 H98 O4 -","- C256 H196 O8 -","2","1","","O’Brien, Zachary J.; Natarajan, Arunkumar; Khan, Saeed; Garcia-Garibay, Miguel A.","Synthesis and Solid-State Rotational Dynamics of Molecular Gyroscopes with a Robust and Low Density Structure Built with a Phenylene Rotator and a Tri(meta-terphenyl)methyl Stator","Crystal Growth & Design","2011","11","6","2654","","10.1021/cg200373g","","","0.71073","MoKα","","0.1172","0.0636","","","0.1454","0.1724","","","","","","1.016","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500861","10.1535","0.0004","13.2333","0.0006","23.732","0.0013","90","","90","","90","","3188.7","0.3","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl2 N6 O8 Ru -","- C30 H24 Cl2 N6 O8 Ru -","- C120 H96 Cl8 N24 O32 Ru4 -","4","1","","Cheung, Eugene Y.; Fujii, Kotaro; Guo, Fang; Harris, Kenneth D. M.; Hasebe, Sayoko; Kuroda, Reiko","Structural Chemistry of a New Chiral Anhydrous Phase of Ru(bipy)3(ClO4)2Established from Powder X-ray Diffraction Analysis","Crystal Growth & Design","2011","11","8","3313","","10.1021/cg200379h","powder diffraction","x-ray","1.54056","","","","","","","","","0.05921","","4.84","","","","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500862","18.82","0.016","7.292","0.006","23.444","0.015","90","","123.17","0.05","90","","2693","4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25.5 H13 F9 O6 Zn -","- C25.5 H13 F9 O6 Zn -","- C102 H52 F36 O24 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Fu, Feng; Dong, Wen-Wen; Zhao, Jun; Zou, Kun; Wang, Yao-Yu","Stoichiometry of N-Donor Ligand Mediated Assembly in the ZnII-Hfipbb System: From a 2-Fold Interpenetrating Pillared-Network to Unique (3,4)-Connected Isomeric Nets","Crystal Growth & Design","2011","11","9","3850","","10.1021/cg200389q","","","0.71073","MoKα","","0.1178","0.0987","","","0.2914","0.3077","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500863","12.3826","0.0005","13.7119","0.0005","26.2216","0.001","90","","92.075","0.001","90","","4449.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H26 F12 N2 O9 S Zn2 -","- C44 H26 F12 N2 O9 S Zn2 -","- C176 H104 F48 N8 O36 S4 Zn8 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Fu, Feng; Dong, Wen-Wen; Zhao, Jun; Zou, Kun; Wang, Yao-Yu","Stoichiometry of N-Donor Ligand Mediated Assembly in the ZnII-Hfipbb System: From a 2-Fold Interpenetrating Pillared-Network to Unique (3,4)-Connected Isomeric Nets","Crystal Growth & Design","2011","11","9","3850","","10.1021/cg200389q","","","0.71073","MoKα","","0.0579","0.0511","","","0.1576","0.1654","","","","","","1.044","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500864","24.768","0.004","13.071","0.002","27.906","0.004","90","","97.138","0.002","90","","8964","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H26 F12 N2 O9 S Zn2 -","- C44 H26 F12 N2 O9 S Zn2 -","- C352 H208 F96 N16 O72 S8 Zn16 -","8","1","","Wu, Ya-Pan; Li, Dong-Sheng; Fu, Feng; Dong, Wen-Wen; Zhao, Jun; Zou, Kun; Wang, Yao-Yu","Stoichiometry of N-Donor Ligand Mediated Assembly in the ZnII-Hfipbb System: From a 2-Fold Interpenetrating Pillared-Network to Unique (3,4)-Connected Isomeric Nets","Crystal Growth & Design","2011","11","9","3850","","10.1021/cg200389q","","","0.71073","MoKα","","0.0905","0.0528","","","0.1254","0.138","","","","","","0.998","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500865","7.7757","0.0001","25.7669","0.0004","9.9187","0.0002","90","","90","","90","","1987.27","0.06","293","2","293","2","","","","","","","synthesis as described","5","C m c m","-C 2c 2","63","rp231","","","- C12 Co N10 O4 W -","- C12 Co N10 O4 W -","- C48 Co4 N40 O16 W4 -","4","0.25","","Podgajny, Robert; Choraży, Szymon; Nitek, Wojciech; Budziak, Andrzej; Rams, Michał; Gómez-García, Carlos J.; Oszajca, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Humidity-Driven Reversible Transformation and Guest Inclusion in a Two-Dimensional Coordination Framework Tailored by Organic Polyamine Cation","Crystal Growth & Design","2011","11","9","3866","","10.1021/cg2004062","","x-ray","0.71073","MoKα","","0.0591","0.0382","","","0.0763","0.0836","","","","","","1.111","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500866","8.0583","0.0005","26.3886","0.0015","9.1939","0.0005","90","","90","","90","","1955.1","0.2","353","2","353","2","","","","","","","synthesis as described","4","C m c m","-C 2c 2","63","rp231_353","","","- C24 Co2 N20 W2 -","- C24 Co2 N20 W2 -","- C48 Co4 N40 W4 -","2","0.125","","Podgajny, Robert; Choraży, Szymon; Nitek, Wojciech; Budziak, Andrzej; Rams, Michał; Gómez-García, Carlos J.; Oszajca, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Humidity-Driven Reversible Transformation and Guest Inclusion in a Two-Dimensional Coordination Framework Tailored by Organic Polyamine Cation","Crystal Growth & Design","2011","11","9","3866","","10.1021/cg2004062","","x-ray","0.71073","MoKα","","0.0532","0.0466","","","0.1169","0.1205","","","","","","1.106","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500867","7.922","0.0005","26.552","0.0014","9.2897","0.0004","90","","90","","90","","1954.04","0.18","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C12 Co N10 W -","- C12 Co N10 W -","- C48 Co4 N40 W4 -","4","0.25","","Podgajny, Robert; Choraży, Szymon; Nitek, Wojciech; Budziak, Andrzej; Rams, Michał; Gómez-García, Carlos J.; Oszajca, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Humidity-Driven Reversible Transformation and Guest Inclusion in a Two-Dimensional Coordination Framework Tailored by Organic Polyamine Cation","Crystal Growth & Design","2011","11","9","3866","","10.1021/cg2004062","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500868","18.903","0.007","19.534","0.006","12.847","0.003","90","","129.327","0.011","90","","3670","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Co2(OA)(dib)2(H2O)]","","- C20 H14 Co N4 O5 -","- C20 H14 Co N4 O5 -","- C160 H112 Co8 N32 O40 -","8","1","","Chu, Qian; Su, Zhi; Fan, Jian; Okamura, Taka-aki; Lv, Gao-Chao; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Novel Cobalt(II) Coordination Polymers Constructed from 3,3′,4,4′-Oxydiphthalic Acid and N-Donor Ligands: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2011","11","9","3885","","10.1021/cg200416y","","","0.71075","MoKα","","0.0479","0.0378","","","0.0882","0.0936","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500869","10.81","0.004","24.347","0.006","17.19","0.005","90","","122.205","0.012","90","","3828","2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Co2(OA)(bbi)2]-3(H2O)","","- C36 H40 Co2 N8 O12 -","- C36 H36 Co2 N8 O12 -","- C144 H144 Co8 N32 O48 -","4","1","","Chu, Qian; Su, Zhi; Fan, Jian; Okamura, Taka-aki; Lv, Gao-Chao; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Novel Cobalt(II) Coordination Polymers Constructed from 3,3′,4,4′-Oxydiphthalic Acid and N-Donor Ligands: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2011","11","9","3885","","10.1021/cg200416y","","","0.71075","MoKα","","0.1041","0.0632","","","0.1274","0.1435","","","","","","1.033","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500870","13.503","0.002","8.3507","0.0012","25.517","0.004","90","","101.973","0.003","90","","2814.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 Co3 N4 O26 -","- C56 H50 Co3 N4 O26 -","- C112 H100 Co6 N8 O52 -","2","0.5","","Chu, Qian; Su, Zhi; Fan, Jian; Okamura, Taka-aki; Lv, Gao-Chao; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Novel Cobalt(II) Coordination Polymers Constructed from 3,3′,4,4′-Oxydiphthalic Acid and N-Donor Ligands: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2011","11","9","3885","","10.1021/cg200416y","","","0.71073","MoKα","","0.0895","0.0578","","","0.1122","0.1223","","","","","","1.001","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500871","11.3653","0.001","8.8027","0.0008","26.09","0.002","90","","102.322","0.002","90","","2550.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Co2(OA)(dpe)(H2O)2]","","- C28 H20 Co2 N2 O11 -","- C28 H20 Co2 N2 O11 -","- C112 H80 Co8 N8 O44 -","4","1","","Chu, Qian; Su, Zhi; Fan, Jian; Okamura, Taka-aki; Lv, Gao-Chao; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Novel Cobalt(II) Coordination Polymers Constructed from 3,3′,4,4′-Oxydiphthalic Acid and N-Donor Ligands: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2011","11","9","3885","","10.1021/cg200416y","","","0.71073","MoKα","","0.0575","0.0482","","","0.1163","0.1224","","","","","","1.003","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500872","6.574","0.006","12.213","0.007","31.326","0.009","90","","90","","90","","2515","3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N3 O5 -","- C23 H43 N3 O5 -","- C92 H172 N12 O20 -","4","1","","André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo","First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β","Crystal Growth & Design","2011","11","9","3703","","10.1021/cg200430z","","","0.71069","MoKα","","0.1918","0.1526","","","0.3855","0.4119","","","","","","1.606","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500873","12.203","0.005","6.419","0.003","17.12","0.007","90","","97.065","0.011","90","","1330.8","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H43 N3 O5 -","- C23 H43 N3 O5 -","- C46 H86 N6 O10 -","2","1","","André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo","First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β","Crystal Growth & Design","2011","11","9","3703","","10.1021/cg200430z","","","0.71069","MoKα","","0.3277","0.1185","","","0.2664","0.3283","","","","","","0.861","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4500874","6.578","0.003","12.104","0.005","16.729","0.007","97.92","0.15","94.76","0.16","91.32","0.16","1313.9","1.1","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C46 H86 N6 O12.5 -","- C46 H86 N6 O12.5 -","- C46 H86 N6 O12.5 -","1","1","","André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo","First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β","Crystal Growth & Design","2011","11","9","3703","","10.1021/cg200430z","","","0.71069","MoKα","","0.1259","0.0658","","","0.138","0.1581","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500875","9.43","0.0008","9.43","0.0008","24.337","0.004","90","","90","","120","","1874.2","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","K0.6Mg0.6Mo3O12Sc1.4","","","- K0.6 Mg0.6 Mo3 O12 Sc1.4 -","- K0.6 Mg0.6 Mo3 O12 Sc1.4 -","- K3.6 Mg3.6 Mo18 O72 Sc8.4 -","6","0.166667","","Wang, Guojian; Huang, Yisheng; Zhang, Lizhen; Guo, Shengping; Xu, Gang; Lin, Zhoubin; Wang, Guofu","Growth, Structure, and Optical Properties of the Cr3+:K0.6(Mg0.3Sc0.7)2(MoO4)3Crystal","Crystal Growth & Design","2011","11","9","3895","","10.1021/cg200438p","","","0.71073","MoKα","","0.0156","0.015","","","0.0604","0.061","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500876","13.873","0.0014","13.873","0.0014","13.812","0.003","90","","90","","90","","2658.3","0.7","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C9 H9.5 Cd0.75 Na1.5 O9.25 -","- C9 H9.5 Cd0.75 Na1.5 O9.25 -","- C72 H76 Cd6 Na12 O74 -","8","1","","Fu, Ying; Su, Jie; Zou, Zhibo; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua","Syntheses, Structures, and Gas Adsorption Properties of Two Novel Cadmium‒Sodium Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","8","3529","","10.1021/cg200443p","","","0.71073","MoKα","","0.0711","0.066","","","0.1961","0.2023","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500877","14.644","0.003","13.655","0.003","17.683","0.004","90","","111.63","0.03","90","","3287","1.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H25 Cd3 N Na2 O22 -","- C29 H25 Cd3 N Na2 O22 -","- C116 H100 Cd12 N4 Na8 O88 -","4","1","","Fu, Ying; Su, Jie; Zou, Zhibo; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua","Syntheses, Structures, and Gas Adsorption Properties of Two Novel Cadmium‒Sodium Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","8","3529","","10.1021/cg200443p","","","0.71073","MoKα","","0.043","0.0425","","","0.1616","0.1619","","","","","","1.005","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500878","13.7528","0.0011","10.7643","0.0009","18.0328","0.0014","90","","109.034","0.001","90","","2523.6","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Mn N4 O2 S2 -","- C26 H18 Mn N4 O2 S2 -","- C104 H72 Mn4 N16 O8 S8 -","4","0.5","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0338","0.0312","","","0.0833","0.0853","","","","","","1.016","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4500879","8.148","0.006","13.341","0.009","13.685","0.009","62.342","0.011","87.107","0.013","82.933","0.013","1307.6","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 N4 Ni O2.5 S2 -","- C26 H18 N4 Ni O2.5 S2 -","- C52 H36 N8 Ni2 O5 S4 -","2","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.1448","0.1098","","","0.2355","0.2544","","","","","","1.222","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500880","8.999","0.002","10.75","0.003","13.169","0.003","90","","90.178","0.004","90","","1274","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cu N4 O2 S2 -","- C26 H18 Cu N4 O2 S2 -","- C52 H36 Cu2 N8 O4 S4 -","2","0.5","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0573","0.0376","","","0.1034","0.1225","","","","","","0.774","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500881","13.914","0.003","10.605","0.003","17.861","0.006","90","","108.927","0.007","90","","2493","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N4 O2 S2 Zn -","- C26 H18 N4 O2 S2 Zn -","- C104 H72 N16 O8 S8 Zn4 -","4","0.5","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0319","0.0285","","","0.0919","0.0995","","","","","","0.956","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500882","8.6476","0.0002","12.7504","0.0003","15.8872","0.0004","90","","90","","90","","1751.73","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Mn N7 O -","- C16 H9 Mn N7 O -","- C64 H36 Mn4 N28 O4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0506","0.0353","","","0.0807","0.0879","","","","","","0.992","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4500883","8.4837","0.0002","12.7231","0.0002","15.5816","0.0003","90","","90","","90","","1681.86","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Co N7 O -","- C16 H9 Co N7 O -","- C64 H36 Co4 N28 O4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0302","0.0258","","","0.0582","0.0602","","","","","","1.048","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500884","8.3767","0.0012","12.9906","0.0018","15.469","0.002","90","","90","","90","","1683.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Cu N7 O -","- C16 H9 Cu N7 O -","- C64 H36 Cu4 N28 O4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0293","0.0271","","","0.064","0.0648","","","","","","1.039","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500885","8.4574","0.0011","12.7306","0.0017","15.689","0.002","90","","90","","90","","1689.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 N7 O Zn -","- C16 H9 N7 O Zn -","- C64 H36 N28 O4 Zn4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0323","0.0288","","","0.0721","0.0735","","","","","","1.054","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500886","18.9358","0.0004","81.0567","0.0019","5.8548","0.0001","90","","90","","90","","8986.4","0.3","173","2","173","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C25 H36 Fe N2 O2 -","- C25 H36 Fe N2 O2 -","- C400 H576 Fe16 N32 O32 -","16","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0376","0.0319","","","0.0824","0.0925","","","","","","1.129","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500887","9.6024","0.0002","11.2793","0.0002","13.0451","0.0003","88.804","0.001","79.869","0.001","69.421","0.001","1300.82","0.05","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C28 H42 Fe N2 O2 -","- C28 H42 Fe N2 O2 -","- C56 H84 Fe2 N4 O4 -","2","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0458","0.0397","","","0.0987","0.1033","","","","","","0.995","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500888","12.1788","0.0004","10.3248","0.0003","21.0704","0.0007","90","","90.713","0.002","90","","2649.26","0.15","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Fe N2 O2 -","- C30 H38 Fe N2 O2 -","- C120 H152 Fe4 N8 O8 -","4","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0725","0.0447","","","0.0899","0.1008","","","","","","1.024","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500889","23.8115","0.0008","10.25","0.0003","24.8877","0.0009","90","","98.17","0","90","","6012.6","0.3","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 Fe N2 O2 -","- C33 H44 Fe N2 O2 -","- C264 H352 Fe8 N16 O16 -","8","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0509","0.0391","","","0.0942","0.1015","","","","","","1.024","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500890","12.0543","0.0003","11.6052","0.0002","17.7228","0.0005","90","","90","","90","","2479.29","0.1","173","2","173","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C25 H33 F3 Fe N2 O2 -","- C25 H33 F3 Fe N2 O2 -","- C100 H132 F12 Fe4 N8 O8 -","4","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0465","0.0395","","","0.0967","0.1027","","","","","","0.848","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500891","15.6033","0.0002","15.6033","0.0002","8.8392","0.0001","90","","90","","120","","1863.7","0.04","298","2","293","2","","","","","","","see text","4","P 3 c 1","P 3 -2""c","158","","","","- Cd12.01 Na11.99 O90 S18 -","- Cd12.014 Na11.986 O90.006 S18 -","- Cd12.014 Na11.986 O90.006 S18 -","1","0.166667","","Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N.","Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials","Crystal Growth & Design","2011","11","7","3213","","10.1021/cg2004613","","","0.71073","MoKα","","0.0231","0.0213","","","0.053","0.0536","","","","","","1.039","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500892","5.5314","0.0002","8.4624","0.0003","11.3048","0.0004","90","","99.411","0.004","90","","522.04","0.03","298","2","298","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- Cd H8 Na2 O12 S2 -","- Cd H8 Na2 O12 S2 -","- Cd2 H16 Na4 O24 S4 -","2","0.5","","Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N.","Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials","Crystal Growth & Design","2011","11","7","3213","","10.1021/cg2004613","","","0.71073","MoKα","","0.021","0.018","","","0.043","0.0444","","","","","","1.069","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500893","5.9085","0.0003","13.0165","0.0005","5.5636","0.0002","90","","106.215","0.005","90","","410.86","0.03","293","2","298","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- Cd H4 Na2 O10 S2 -","- Cd H4 Na2 O10 S2 -","- Cd2 H8 Na4 O20 S4 -","2","0.5","","Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N.","Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials","Crystal Growth & Design","2011","11","7","3213","","10.1021/cg2004613","","","0.71073","MoKα","","0.0194","0.0189","","","0.0528","0.0532","","","","","","1.152","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500894","7.3067","0.0004","11.1954","0.0006","11.4438","0.0006","72.426","0.004","73.791","0.004","83.348","0.004","856.45","0.08","293","2","293","2","","","","","","","","6","P 1","P 1","1","catena-[(mu2-4,4^'^-bipyridyl)-(tri-aqua)-(sulfato-zinc(II))] [(mu2-4,4^'^-bipyridyl)-(di-aqua)-(di-sulfato-zinc(II))] [hexa-aqua-zinc(II)]","catena-[(mu2-4,4^'^-bipyridyl)-(tri-aqua)-(sulfato-zinc(II))] [(mu2-4,4^'^-bipyridyl)-(di-aqua)-(di-sulfato-zinc(II))] [hexa-aqua-zinc(II)]","","- C20 H38 N4 O23 S3 Zn3 -","- C20 H38 N4 O23 S3 Zn3 -","- C20 H38 N4 O23 S3 Zn3 -","1","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.0271","0.0258","","","0.0613","0.0628","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4500895","20.971","0.0011","9.2303","0.0005","11.4429","0.0008","90","","110.431","0.007","90","","2075.6","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate","catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate","","- C35 H45 N9 O14 S2 Zn2 -","- C35 H38 N9 O14 S2 Zn2 -","- C70 H76 N18 O28 S4 Zn4 -","2","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.0486","0.04","","","0.0693","0.0748","","","","","","1.026","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500896","9.8002","0.0008","9.3425","0.0009","23.47","0.004","90","","91.317","0.011","90","","2148.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-zinc(II))","(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-zinc(II))","","- C18 H22 N4 O6 S Zn -","- C18 H22 N4 O6 S Zn -","- C72 H88 N16 O24 S4 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.1237","0.0769","","","0.1692","0.1832","","","","","","0.972","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500897","9.5841","0.0003","10.0629","0.0003","23.0354","0.0009","90","","90","","90","","2221.62","0.13","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","catena-(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-cadmium(II))","catena-(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-cadmium(II))","","- C18 H22 Cd N4 O6 S -","- C18 H22 Cd N4 O6 S -","- C72 H88 Cd4 N16 O24 S4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.0669","0.0401","","","0.0637","0.0749","","","","","","0.991","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500898","12.2897","0.0005","10.3757","0.0004","16.3811","0.0009","90","","125.598","0.003","90","","1698.47","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C16 H16 N3 O4 S V -","- C16 H16 N3 O4 S V -","- C64 H64 N12 O16 S4 V4 -","4","1","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.0694","0.0368","","","0.0757","0.0812","","","","","","0.886","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500899","7.2239","0.0011","9.693","0.002","13.592","0.003","87.323","0.018","86.732","0.015","71.447","0.017","900.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","ethoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C17 H18 N3 O4 S V -","- C17 H18 N3 O4 S V -","- C34 H36 N6 O8 S2 V2 -","2","1","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.1048","0.0534","","","0.1161","0.1303","","","","","","0.886","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500900","12.4255","0.0003","15.7746","0.0004","18.5559","0.0005","90","","96.51","0.002","90","","3613.64","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ethoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C17 H18 N3 O4 S V -","- C17 H18 N3 O4 S V -","- C136 H144 N24 O32 S8 V8 -","8","2","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.7107","MoKα","","0.0412","0.0279","","","0.0737","0.0765","","","","","","0.966","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500901","12.3684","0.0003","15.9862","0.0004","19.1848","0.0005","90","","97.975","0.002","90","","3756.6","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","propoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C18 H20 N3 O4 S V -","- C18 H20 N3 O4 S V -","- C144 H160 N24 O32 S8 V8 -","8","2","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.0405","0.0284","","","0.0743","0.0772","","","","","","1.059","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500902","9.7545","0.0011","12.9941","0.0014","30.452","0.003","88.183","0.008","80.838","0.009","89.875","0.009","3808.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","propoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C18 H20 N3 O4 S V -","- C18 H20 N3 O4 S V -","- C144 H160 N24 O32 S8 V8 -","8","4","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.1442","0.0827","","","0.195","0.2379","","","","","","0.985","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500903","9.528","0.0004","10.0721","0.0004","10.5449","0.0003","95.344","0.003","110.811","0.004","95.371","0.004","933.06","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-{2-[(2-Hydroxy-4-methoxy-benzylidene)-hydrazono]-4-methyl-3-phenyl- -2,3-dihydro-thiazol-5-yl}-ethanone","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C40 H38 N6 O6 S2 -","2","1","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.0922","0.0508","","","0.1175","0.1393","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500904","27.6739","0.0015","13.1598","0.0006","8.6462","0.0004","90","","95.435","0.003","90","","3134.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cu N2 O6 -","- C11 H13 Cu N2 O6 -","- C88 H104 Cu8 N16 O48 -","8","1","","Dey, Rajdip; Haldar, Ritesh; Maji, Tapas Kumar; Ghoshal, Debajyoti","Three-Dimensional Robust Porous Coordination Polymer with Schiff Base Site on the Pore Wall: Synthesis, Single-Crystal-to-Single-Crystal Reversibility, and Selective CO2Adsorption","Crystal Growth & Design","2011","11","9","3905","","10.1021/cg2004672","","","0.71073","MoKα","","0.0942","0.0503","","","0.1471","0.1877","","","","","","1.036","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500905","27.733","0.002","13.1588","0.0009","8.6333","0.0007","90","","95.217","0.006","90","","3137.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Cu N2 O4 -","- C11 H11 Cu N2 O4 -","- C88 H88 Cu8 N16 O32 -","8","1","","Dey, Rajdip; Haldar, Ritesh; Maji, Tapas Kumar; Ghoshal, Debajyoti","Three-Dimensional Robust Porous Coordination Polymer with Schiff Base Site on the Pore Wall: Synthesis, Single-Crystal-to-Single-Crystal Reversibility, and Selective CO2Adsorption","Crystal Growth & Design","2011","11","9","3905","","10.1021/cg2004672","","","0.71073","MoKα","","0.1122","0.0811","","","0.2238","0.253","","","","","","1.067","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500906","27.633","0.005","13.153","0.005","8.641","0.005","90","","95.5","0.005","90","","3126","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cu N2 O6 -","- C11 H13 Cu N2 O6 -","- C88 H104 Cu8 N16 O48 -","8","1","","Dey, Rajdip; Haldar, Ritesh; Maji, Tapas Kumar; Ghoshal, Debajyoti","Three-Dimensional Robust Porous Coordination Polymer with Schiff Base Site on the Pore Wall: Synthesis, Single-Crystal-to-Single-Crystal Reversibility, and Selective CO2Adsorption","Crystal Growth & Design","2011","11","9","3905","","10.1021/cg2004672","","","0.71073","MoKα","","0.1134","0.0613","","","0.1658","0.1908","","","","","","1.05","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500907","11.6252","0.0005","7.101","0.0003","13.7442","0.0005","90","","106.871","0.003","90","","1085.76","0.08","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- B11 Li6 O22 Rb5 -","- B11 Li6 O22 Rb5 -","- B22 Li12 O44 Rb10 -","2","0.5","","Yang, Yun; Pan, Shilie; Han, Jian; Hou, Xueling; Zhou, Zhongxiang; Zhao, Wenwu; Chen, Zhaohui; Zhang, Min","A New Lithium Rubidium Borate Li6Rb5B11O22with Isolated B11O22Building Blocks","Crystal Growth & Design","2011","11","9","3912","","10.1021/cg200471b","","","0.71073","MoKα","","0.0371","0.0326","","","0.0624","0.0642","","","","","","0.951","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500908","17.3726","0.0007","17.3726","0.0007","10.0243","0.0008","90","","90","","120","","2620.1","0.3","298","0.2","298","0.2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C9 H3 N O9 Sr2 -","- C9 H3 N O9 Sr2 -","- C54 H18 N6 O54 Sr12 -","6","0.5","","Lee, Dong Woo; Jo, Vinna; Ok, Kang Min","Sr2[C6H3(CO2)3(NO3)]·DMF: One-Dimensional Nano-Channel in a New Non-Centrosymmetric Strontium‒Organic Framework with High Thermal Stability","Crystal Growth & Design","2011","11","7","2698","","10.1021/cg200503d","","","0.71073","MoKα","","0.0454","0.0419","","","0.1512","0.1523","","","","","","1.247","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500909","5.955","0.004","9.929","0.009","19.717","0.005","90","","95.841","0.005","90","","1159.8","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cu N3 O5 -","- C9 H13 Cu N3 O5 -","- C36 H52 Cu4 N12 O20 -","4","1","","Seth, Saikat Kumar; Saha, Indranil; Estarellas, Carolina; Frontera, Antonio; Kar, Tanusree; Mukhopadhyay, Subrata","Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]","Crystal Growth & Design","2011","11","7","3250","","10.1021/cg200506q","","","0.71073","MoKα","","0.0412","0.0376","","","0.0973","0.0995","","","","","","1.062","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500910","5.063","0.002","11.085","0.001","11.423","0.002","114.762","0.002","94.467","0.002","91.743","0.001","579","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 N6 Ni O10 -","- C18 H28 N6 Ni O10 -","- C18 H28 N6 Ni O10 -","1","0.5","","Seth, Saikat Kumar; Saha, Indranil; Estarellas, Carolina; Frontera, Antonio; Kar, Tanusree; Mukhopadhyay, Subrata","Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]","Crystal Growth & Design","2011","11","7","3250","","10.1021/cg200506q","","","0.71073","MoKα","","0.0836","0.0608","","","0.1587","0.1919","","","","","","1.216","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500911","12.396","0.009","13.007","0.008","14.582","0.009","63.911","0.018","89.96","0.03","79.954","0.019","2072","2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 Ni4 O32 -","- C24 H24 N2 Ni4 O32 -","- C48 H48 N4 Ni8 O64 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun","Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands","Crystal Growth & Design","2011","11","7","3273","","10.1021/cg200511q","","","0.71073","MoKα","","0.1","0.0711","","","0.171","0.1966","","","","","","1.062","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500912","15.3745","0.001","20.4521","0.0014","18.0331","0.0013","90","","93.104","0.004","90","","5662","0.7","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N3 Ni1.5 O14.5 -","- C22 H16 N3 Ni1.5 O14.5 -","- C176 H128 N24 Ni12 O116 -","8","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun","Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands","Crystal Growth & Design","2011","11","7","3273","","10.1021/cg200511q","","","0.71073","MoKα","","0.0788","0.0661","","","0.1985","0.2117","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500913","12.4225","0.0004","12.9981","0.0002","14.779","0.0001","64.384","0.008","80.885","0.012","79.562","0.012","2107.54","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H44 N3 Ni4 O30 -","- C29 H44 N3 Ni4 O30 -","- C58 H88 N6 Ni8 O60 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun","Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands","Crystal Growth & Design","2011","11","7","3273","","10.1021/cg200511q","","","0.71073","MoKα","","0.0529","0.0452","","","0.1176","0.128","","","","","","1.069","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500914","17.6574","0.0004","17.6574","0.0004","18.6518","0.0009","90","","90","","90","","5815.3","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H21 N3 Ni2 O10.5 -","- C25 H21 N3 Ni2 O10.5 -","- C200 H168 N24 Ni16 O84 -","8","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun","Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands","Crystal Growth & Design","2011","11","7","3273","","10.1021/cg200511q","","","0.71073","MoKα","","0.051","0.0471","","","0.1336","0.1402","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500915","12.1207","0.0006","18.8019","0.0009","13.2832","0.0007","90","","91.632","0.001","90","","3025.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1","","","- C24 H34 N10 Na O7 S0.5 -","- C24 H34 N10 Na O7 S0.5 -","- C96 H136 N40 Na4 O28 S2 -","4","1","","Rajbanshi, Arbin; Moyer, Bruce A.; Custelcean, Radu","Sulfate Separation from Aqueous Alkaline Solutions by Selective Crystallization of Alkali Metal Coordination Capsules","Crystal Growth & Design","2011","11","7","2702","","10.1021/cg200515w","","","0.71073","MoKα","","0.0678","0.0513","","","0.1153","0.1248","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500916","11.9118","0.0007","18.5604","0.0011","12.836","0.0007","90","","91.64","0.001","90","","2836.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2","","","- C24 H32 K N10 O6 S0.5 -","- C24 H32 K N10 O6 S0.5 -","- C96 H128 K4 N40 O24 S2 -","4","1","","Rajbanshi, Arbin; Moyer, Bruce A.; Custelcean, Radu","Sulfate Separation from Aqueous Alkaline Solutions by Selective Crystallization of Alkali Metal Coordination Capsules","Crystal Growth & Design","2011","11","7","2702","","10.1021/cg200515w","","","0.71073","MoKα","","0.0688","0.0471","","","0.1086","0.1198","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500917","8.4436","0.0005","12.2377","0.0008","13.6622","0.0008","95.355","0.001","100.076","0.001","105.052","0.001","1327.89","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","L1-2H2O","","","- C24 H34 N10 O5 -","- C24 H34 N10 O5 -","- C48 H68 N20 O10 -","2","1","","Rajbanshi, Arbin; Moyer, Bruce A.; Custelcean, Radu","Sulfate Separation from Aqueous Alkaline Solutions by Selective Crystallization of Alkali Metal Coordination Capsules","Crystal Growth & Design","2011","11","7","2702","","10.1021/cg200515w","","","0.71073","MoKα","","0.0855","0.0625","","","0.1286","0.1421","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500918","12.1305","0.0004","12.3277","0.0003","15.7747","0.0005","90","","106.318","0.004","90","","2263.94","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Br8 N6 O4 -","- C38 H46 Br8 N6 O4 -","- C76 H92 Br16 N12 O8 -","2","0.5","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.1522","0.0416","","","0.0595","0.067","","","","","","0.858","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500919","12.557","0.004","19.349","0.005","8.173","0.003","90","","97.837","0.004","90","","1967.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Br8 N2 O8 -","- C32 H38 Br8 N2 O8 -","- C64 H76 Br16 N4 O16 -","2","0.5","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.0515","0.0425","","","0.0973","0.1023","","","","","","1.095","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500920","13.9298","0.0005","15.3719","0.0005","17.7673","0.0008","90","","105.553","0.004","90","","3665.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br8 N2 O5 -","- C32 H30 Br8 N2 O5 -","- C128 H120 Br32 N8 O20 -","4","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.109","0.0323","","","0.0689","0.091","","","","","","0.574","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500921","8.0454","0.0003","11.2431","0.0006","12.4087","0.0007","99.128","0.004","104.349","0.004","91.335","0.004","1071.34","0.1","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 Br4 N4 O2 -","- C19 H20 Br4 N4 O2 -","- C38 H40 Br8 N8 O4 -","2","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.0685","0.0364","","","0.0698","0.0738","","","","","","0.902","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500922","7.3315","0.0004","11.6404","0.0008","14.9647","0.0011","103.659","0.006","102.636","0.005","90.701","0.005","1208.18","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br4 N4 O2 -","- C21 H24 Br4 N4 O2 -","- C42 H48 Br8 N8 O4 -","2","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.1041","0.0452","","","0.0958","0.1054","","","","","","0.908","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500923","13.575","0.0019","16.7167","0.0019","18.585","0.003","64.667","0.004","81.375","0.006","72.956","0.006","3643","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24.667 Br4 N4 O2.333 -","- C21 H24.6667 Br4 N4 O2.33333 -","- C126 H148 Br24 N24 O14 -","6","3","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","3557","10.1021/cg200520w","","","0.71073","MoKα","","0.0653","0.0397","","","0.0774","0.084","","","","","","0.809","","","","has coordinates","211064","2020-10-21","18:00:00",""
"4500924","10.3963","0.0016","13.3282","0.0019","13.693","0.004","65.698","0.018","78.834","0.018","71.073","0.013","1631.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 Ag4 N30 O8 -","- C60 H58 Ag4 N30 O8 -","- C60 H58 Ag4 N30 O8 -","1","0.5","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0329","0.0288","","","0.0834","0.0982","","","","","","1.176","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500925","10.553","0.002","13.529","0.003","14.104","0.003","107.6","0.03","104.36","0.03","110.89","0.03","1643.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H58 Ag4 N30 O8 -","- C62 H58 Ag4 N30 O8 -","- C62 H58 Ag4 N30 O8 -","1","0.5","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0403","0.0288","","","0.068","0.0918","","","","","","0.907","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500926","12.864","0.003","14.555","0.003","11.752","0.002","90","","90","","90","","2200.4","0.8","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C22 H20 Ag N10 O2 -","- C22 H20 Ag N10 O2 -","- C88 H80 Ag4 N40 O8 -","4","0.5","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.1057","0.0841","","","0.2323","0.2595","","","","","","1.161","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500927","8.95","0.0018","9.3917","0.0019","10.029","0.002","71.54","0.03","68.88","0.03","74.74","0.03","735.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 Ag N5 O3 -","- C13 H17 Ag N5 O3 -","- C26 H34 Ag2 N10 O6 -","2","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0399","0.0299","","","0.0771","0.1091","","","","","","1.133","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500928","20.9002","0.0009","7.5329","0.0003","19.6558","0.0007","90","","96.561","0.001","90","","3074.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Ag N5 O3 -","- C14 H15 Ag N5 O3 -","- C112 H120 Ag8 N40 O24 -","8","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0337","0.0293","","","0.0782","0.082","","","","","","0.843","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500929","21.698","0.004","7.4193","0.0015","19.443","0.004","90","","101.59","0.03","90","","3066.2","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Ag N5 O4 -","- C12 H10.5 Ag N5 O4 -","- C96 H84 Ag8 N40 O32 -","8","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0411","0.0378","","","0.1203","0.1415","","","","","","1.101","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500930","13.387","0.0014","32.4616","0.0016","10.381","0.002","90","0.002","118.94","0.002","90","0.002","3947.9","0.9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H31 Ag2 N15 O13 -","- C35 H31 Ag2 N15 O13 -","- C140 H124 Ag8 N60 O52 -","4","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0277","0.0275","","","0.0701","0.0703","","","","","","0.979","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500931","9.6559","0.0007","11.2106","0.0009","12.0882","0.001","81.934","0.002","81.997","0.002","77.019","0.0019","1254.58","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Ag2 N10 O5 -","- C23 H21 Ag2 N10 O5 -","- C46 H42 Ag4 N20 O10 -","2","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0789","0.0502","","","0.1295","0.1736","","","","","","1.153","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500932","26.9173","0.0003","22.13","0.0002","11.3881","0.0001","90","","90","","90","","6783.66","0.11","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H58 N29 Na3 O43 U2 -","- C36 H56 N29 Na3 O43 U2 -","- C144 H224 N116 Na12 O172 U8 -","4","0.5","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0512","0.0339","","","0.0971","0.1033","","","","","","1.053","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500933","12.549","0.0004","16.2908","0.001","21.7839","0.0013","98.551","0.002","105.403","0.003","102.939","0.003","4080.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H71.5 N24 Na1.5 O52 U6 -","- C39.5 H45.5 N24 Na1.5 O52 U6 -","- C79 H91 N48 Na3 O104 U12 -","2","1","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0714","0.0569","","","0.1557","0.1625","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500934","27.3529","0.0013","27.3529","0.0013","12.2825","0.0005","90","","90","","120","","7958.4","0.6","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C120 H153 K3 N75 O64.5 U3 -","- C120 H147 K3 N75 O64.5 U3 -","- C240 H294 K6 N150 O129 U6 -","2","0.333333","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0606","0.0462","","","0.1161","0.1221","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500935","13.4555","0.0002","15.234","0.0002","17.7989","0.0003","69.0525","0.0005","89.3447","0.0005","88.9214","0.0011","3406.66","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H112 Cs4 N56 O84 U6 -","- C72 H100 Cs4 N56 O84 U6 -","- C72 H100 Cs4 N56 O84 U6 -","1","0.5","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0519","0.0464","","","0.1356","0.1396","","","","","","1.032","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500936","15.1238","0.0002","21.4542","0.0005","26.8055","0.0006","90","","90","","90","","8697.6","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H92 N25 Na3 O60 S4 U2 -","- C48 H86 N25 Na3 O60 S4 U2 -","- C192 H344 N100 Na12 O240 S16 U8 -","4","1","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0415","0.0327","","","0.0714","0.0736","","","","","","1.032","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500937","15.4467","0.0005","15.8288","0.0003","16.1585","0.0005","90","","113.284","0.002","90","","3629.03","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 N24 Na2 O44 S4 U2 -","- C48 H66 N24 Na2 O44 S4 U2 -","- C96 H132 N48 Na4 O88 S8 U4 -","2","0.5","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.038","0.0262","","","0.0607","0.0636","","","","","","0.995","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500938","15.4882","0.0004","16.1531","0.0005","16.2434","0.0004","90","","113.876","0.002","90","","3716.05","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 K2 N24 O44 S4 U2 -","- C48 H66 K2 N24 O44 S4 U2 -","- C96 H132 K4 N48 O88 S8 U4 -","2","0.5","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0332","0.0245","","","0.0603","0.0624","","","","","","1.049","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500939","24.7397","0.0002","7.5123","0.0001","14.976","0.0002","90","","90.949","0.001","90","","2782.94","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-amino-4,6-dimethylpyrimidine-2-methylbenzoic acid","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C112 H136 N24 O16 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.1213","0.056","","","0.1484","0.1779","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500940","26.9424","0.0012","7.3192","0.0003","14.3603","0.0006","90","","92.473","0.004","90","","2829.2","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-amino-4,6-dimethylpyrimidine-3-methylbenzoic acid","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C112 H136 N24 O16 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.1035","0.0598","","","0.1814","0.2134","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500941","26.6684","0.0004","7.3762","0.0001","14.249","0.0002","90","","99.869","0.002","90","","2761.46","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-amino-4-chloro-6-methylpyrimidine-4-chlorobenzoic acid","","- C12 H11 Cl2 N3 O2 -","- C12 H11 Cl2 N3 O2 -","- C96 H88 Cl16 N24 O16 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0926","0.0484","","","0.1283","0.1522","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500942","26.502","0.0004","7.4361","0.0001","14.3922","0.0002","90","","98.915","0.001","90","","2802.03","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-amino-4,6-dimethylpyrimidine-4-chlorobenzoic acid","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C104 H112 Cl8 N24 O16 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0637","0.0471","","","0.133","0.1473","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500943","7.5335","0.0013","8.1173","0.0012","21.321","0.002","90","","103.213","0.006","90","","1269.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-benzoic acid","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C48 H48 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0688","0.0482","","","0.1481","0.1668","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500944","7.526","0.005","8.809","0.005","21.362","0.005","90","","102.732","0.015","90","","1381.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-3-methylbenzoic acid","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.1208","0.0613","","","0.1443","0.1741","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500945","7.851","0.0001","24.191","0.0004","8.3116","0.0001","90","","120.591","0.001","90","","1358.87","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethylpyrimidine-2-chlorobenzoic acid","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0785","0.0481","","","0.1295","0.1467","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500946","7.7594","0.0003","24.3335","0.0007","8.2817","0.0003","90","","120.61","0.003","90","","1345.8","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-2-chlorobenzoic acid","","- C12 H11 Cl2 N3 O2 -","- C12 H11 Cl2 N3 O2 -","- C48 H44 Cl8 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0883","0.0509","","","0.1333","0.1535","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500947","7.9118","0.0001","24.0539","0.0004","8.2112","0.0001","90","","119.926","0.001","90","","1354.32","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-2-methylbenzoic acid","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0719","0.0486","","","0.1409","0.156","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500948","6.8705","0.0012","7.4812","0.0014","13.716","0.002","81.763","0.009","80.563","0.009","84.009","0.009","685.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethylpyrimidine-4-nitrobenzoic acid","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C26 H28 N8 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0676","0.047","","","0.1256","0.1385","","","","","","1.056","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500949","6.9797","0.0004","7.3469","0.0004","13.7131","0.0007","80.291","0.003","78.448","0.003","85.491","0.003","678.35","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4-chloro-6-methylpyrimidine-4-nitrobenzoic acid","","- C12 H11 Cl N4 O4 -","- C12 H11 Cl N4 O4 -","- C24 H22 Cl2 N8 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0706","0.0514","","","0.1422","0.16","","","","","","1.066","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500950","6.9651","0.0001","7.5279","0.0002","13.2985","0.0003","94.254","0.001","92.751","0.001","98.482","0.001","686.52","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethylpyrimidine-3-nitrobenzoic acid","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C26 H28 N8 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0657","0.05","","","0.1496","0.1666","","","","","","1.071","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500951","11.1623","0.0005","7.4613","0.0003","17.0269","0.0008","90","","93.404","0.003","90","","1415.59","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidinephthalic acid","","- C13 H12 Cl N3 O4 -","- C13 H12 Cl N3 O4 -","- C52 H48 Cl4 N12 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0764","0.0547","","","0.1463","0.1648","","","","","","1.042","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500952","6.0521","0.0012","7.965","0.0016","30.415","0.005","90","","97.137","0.011","90","","1454.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidinecinnamic acid","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C56 H56 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0897","0.0517","","","0.1662","0.1991","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500953","9.8924","0.0003","15.0036","0.0004","11.3404","0.0004","90","","121.196","0.002","90","","1439.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-3-nitrobenzoic acid","","- C12 H11 Cl N4 O4 -","- C12 H11 Cl N4 O4 -","- C48 H44 Cl4 N16 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0567","0.0426","","","0.1216","0.1363","","","","","","1.054","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500954","7.5499","0.0001","8.9221","0.0001","11.1715","0.0002","104.4","0.001","99.632","0.001","94.909","0.001","712.204","0.018","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4-chloro-6-methylpyrimidine-anisic acid","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C26 H28 Cl2 N6 O6 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0902","0.0486","","","0.1445","0.1737","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500955","8.6811","0.0001","11.5513","0.0002","11.5896","0.0002","87.227","0.001","77.166","0.001","81.834","0.001","1121.49","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethylpyrimidine-cinnamic acid (1/2)","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C48 H50 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.1042","0.0492","","","0.127","0.1525","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500956","7.094","0.0008","7.6307","0.0008","10.9005","0.0012","70.738","0.002","83.647","0.002","65.339","0.002","505.98","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 H8 O2 -","- C4 H8 O2 -","- C16 H32 O8 -","4","2","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0372","0.0349","","","0.0759","0.0772","","","","","","1.002","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500957","20.9055","0.0009","13.4391","0.0006","9.3136","0.0004","90","","90","","90","","2616.7","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H10 O3 -","- C5 H10 O3 -","- C80 H160 O48 -","16","4","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0282","0.0245","","","0.0566","0.0584","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500958","13.787","0.003","5.9735","0.0011","16.925","0.003","90","","90","","90","","1393.9","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C64 H64 O16 -","8","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0446","0.0379","","","0.0849","0.0894","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500959","5.8124","0.0004","7.532","0.0005","16.655","0.0011","90","","90","","90","","729.14","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0272","0.0264","","","0.064","0.0647","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500960","7.2","0.004","10.03","0.005","11.485","0.006","69.285","0.007","88.979","0.008","72.307","0.007","735.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 F4 Hg2 O2 -","- C10 H8 Cl2 F4 Hg2 O2 -","- C20 H16 Cl4 F8 Hg4 O4 -","2","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0416","0.0335","","","0.075","0.0768","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500961","20.4533","0.0013","7.3948","0.0005","26.5695","0.0018","90","","91.684","0.001","90","","4016.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl4 F8 Hg4 O3 -","- C17 H10 Cl4 F8 Hg4 O3 -","- C102 H60 Cl24 F48 Hg24 O18 -","6","1.5","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0621","0.0416","","","0.0867","0.0947","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500962","16.4902","0.0018","15.8412","0.0017","6.7903","0.0007","90","","111.642","0.001","90","","1648.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H8 Cl2 F4 Hg2 O2 -","- C14 H8 Cl2 F4 Hg2 O2 -","- C56 H32 Cl8 F16 Hg8 O8 -","4","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0291","0.0261","","","0.0558","0.0571","","","","","","1.026","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500963","7.024","0.005","7.837","0.005","31.1","0.02","88.446","0.007","88.373","0.006","89.507","0.007","1711","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl2 F4 Hg2 O2 -","- C14 H8 Cl2 F4 Hg2 O2 -","- C56 H32 Cl8 F16 Hg8 O8 -","4","2","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.1586","0.1385","","","0.3005","0.3109","","","","","","1.054","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500964","15.775","0.005","9.796","0.002","20.695","0.005","90","","94.896","0.011","90","","3186.4","1.4","223.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C42 H31 O4 -","- C42 H31 O4 -","- C168 H124 O16 -","4","1","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","","","0.71075","MoKα","","","0.0431","","","","0.0107","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500965","9.3881","0.0019","26.515","0.006","11.103","0.003","90","","97.768","0.01","90","","2738.5","1.1","223.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 Cl2 O4 -","- C34 H24 Cl2 O4 -","- C136 H96 Cl8 O16 -","4","2","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","","","0.71075","MoKα","","","0.0604","","","","0.0985","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500966","9.343","0.004","11.137","0.006","14.234","0.006","112.231","0.018","96.642","0.014","98.164","0.019","1333.7","1.1","223.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 O5 -","- C35 H28 O5 -","- C70 H56 O10 -","2","1","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","","","0.71075","MoKα","","","0.0658","","","","0.2158","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500967","21.60117","0.00018","12.83936","0.00012","8.86864","0.00006","90","","90","","90","","2459.67","0.04","","","293","","","","101.3","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H22 O4 -","- C33 H22 O4 -","- C132 H88 O16 -","4","1","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","powder diffraction","x-ray","1.1961","synchrotron","","","","","","","","0.05861","","1.78","","","","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500968","10.846","0.002","13.732","0.003","14.625","0.003","63.47","0.03","86.17","0.03","70.77","0.03","1831.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H60 N14 O20 Pr2 S4 -","- C66 H60 N14 O20 Pr2 S4 -","- C66 H60 N14 O20 Pr2 S4 -","1","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.0514","0.0426","","","0.0932","0.1101","","","","","","1.123","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500969","11.081","0.002","13.384","0.003","14.003","0.003","64.73","0.03","77.09","0.03","79.67","0.03","1822.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H56 N14 Nd2 O19 S4 -","- C65 H56 N14 Nd2 O19 S4 -","- C65 H56 N14 Nd2 O19 S4 -","1","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.0659","0.0537","","","0.1455","0.1643","","","","","","1.022","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500970","10.865","0.002","13.541","0.003","14.535","0.003","63.62","0.03","86.44","0.03","70.7","0.03","1799","0.9","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H60 Ho2 N14 O20 S4 -","- C66 H60 Ho2 N14 O20 S4 -","- C66 H60 Ho2 N14 O20 S4 -","1","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.0409","0.0315","","","0.0642","0.0674","","","","","","1.005","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500971","14.868","0.006","16.93","0.007","22.725","0.01","90","","99.218","0.005","90","","5646","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Cu12 N12 O28 S6 -","- C66 H54 Cu12 N12 O28 S6 -","- C132 H108 Cu24 N24 O56 S12 -","2","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.1577","0.0713","","","0.1736","0.1905","","","","","","1.024","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500972","11.199","0.0007","11.199","0.0007","26.231","0.004","90","","90","","120","","2849.1","0.5","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C34 H34 Cu3 N4 O10 S2 -","- C34 H34 Cu3 N4 O10 S2 -","- C102 H102 Cu9 N12 O30 S6 -","3","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.0369","0.028","","","0.0414","0.0426","","","","","","1.061","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500973","7.7286","0.0004","10.0328","0.0006","13.4998","0.0008","90","","90","","90","","1046.77","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Ag N4 O4 P -","- C6 H12 Ag N4 O4 P -","- C24 H48 Ag4 N16 O16 P4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Smoleński, Piotr; Pombeiro, Armando J. L.","1,3,5-Triaza-7-phosphaadamantane-7-oxide (PTA═O): New Diamondoid Building Block for Design of Three-Dimensional Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","7","2711","","10.1021/cg200571y","","","0.71073","MoKα","","0.0169","0.0165","","","0.048","0.0481","","","","","","1.166","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500974","16.6597","0.0007","10.3551","0.0004","6.9008","0.0003","90","","90","","90","","1190.48","0.09","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H14 Ag2 N3 O6 P S -","- C6 H14 Ag2 N3 O6 P S -","- C24 H56 Ag8 N12 O24 P4 S4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Smoleński, Piotr; Pombeiro, Armando J. L.","1,3,5-Triaza-7-phosphaadamantane-7-oxide (PTA═O): New Diamondoid Building Block for Design of Three-Dimensional Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","7","2711","","10.1021/cg200571y","","","0.71073","MoKα","","0.0193","0.0188","","","0.0465","0.0468","","","","","","0.956","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500975","3.9","0.001","20.07","0.004","14.489","0.003","90","","97.58","0.03","90","","1124.2","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phenanthridine fumaric acid 2:1","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.1024","0.0462","","0.1681","0.1088","0.1088","","","","","","0.9876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500976","11.299","0.002","13.591","0.003","15.293","0.003","78.55","0.03","75.83","0.03","75.89","0.03","2184.1","0.9","173","","173","","","","","","","","","4","P -1","-P 1","2","","phenanthridine fumaric acid 4:1.5","","- C58 H42 N4 O6 -","- C58 H42 N4 O6 -","- C116 H84 N8 O12 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.1284","0.0609","","0.1896","0.1506","0.1536","","","","","","1.0412","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500977","4.901","0.001","17.21","0.003","13.989","0.003","90","","90.9","0.03","90","","1179.8","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenanthridine succinic acid 2:1","","- C15 H12 N O2 -","- C15 H12 N O2 -","- C60 H48 N4 O8 -","4","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.7107","MoKα","","0.0806","0.0375","","0.1308","0.099","0.0962","","","","","","1.0653","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500978","11.915","0.002","3.8719","0.0008","17.285","0.004","90","","91.79","0.03","90","","797","0.3","173","","173","","","","","","","","","4","P 1 c 1","P -2yc","7","","phenanthridine isophthalic acid 1:1","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C42 H30 N2 O8 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.0625","0.0437","","0.117","0.1056","0.112","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500979","5.712","0.001","8.131","0.002","14.943","0.003","90","","93.42","0.03","90","","692.8","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","phenanthridinium maleate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C34 H26 N2 O8 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.0452","0.0342","","0.0891","0.0851","0.0829","","","","","","1.0103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500980","5.584","0.001","10.23","0.002","10.962","0.002","75.17","0.03","84.53","0.03","86.35","0.03","602.1","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","phenanthridinium oxalate","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C30 H22 N2 O8 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.0889","0.0448","","0.1378","0.106","0.1011","","","","","","1.0248","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500981","7.557","0.002","9.469","0.002","18.562","0.004","90","","95.51","0.03","90","","1322.1","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phenanthridinium oxalate monohydrate","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.7107","MoKα","","0.0803","0.0384","","0.0925","0.0772","0.0772","","","","","","1.0274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500982","21.6735","0.0005","21.6735","0.0005","21.6735","0.0005","90","","90","","90","","10180.9","0.4","150","2","150","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C30 H23 N3 Ni3 O15 -","- C30 H19 N3 Ni3 O14.99 -","- C240 H152 N24 Ni24 O119.92 -","8","0.166667","","Jiang, Guiyuan; Wu, Tao; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Bu, Xianhui; Feng, Pingyun","A Nine-Connected Mixed-Ligand Nickel-Organic Framework and Its Gas Sorption Properties","Crystal Growth & Design","2011","11","9","3713","","10.1021/cg200579j","","","0.71073","MoKα","","0.0587","0.0521","","","0.1635","0.1738","","","","","","1.137","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500983","18.1284","0.0007","8.8472","0.0003","26.6561","0.0009","90","","108.349","0.004","90","","4057.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H74 Co4 N8 O29 -","- C82 H72 Co4 N8 O29 -","- C164 H144 Co8 N16 O58 -","2","0.25","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.0581","0.0291","","","0.0376","0.0397","","","","","","0.725","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500984","9.9686","0.0012","9.3686","0.0007","24.551","0.003","90","","90.215","0.011","90","","2292.8","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H39 N4 Ni2 O18 -","- C41 H30.994 N4 Ni2 O18 -","- C82 H61.988 N8 Ni4 O36 -","2","0.5","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.1362","0.0598","","","0.1305","0.1442","","","","","","0.81","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500985","10.1977","0.0008","9.3925","0.0007","24.4616","0.0017","90","","91.926","0.007","90","","2341.7","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C41 H37 Co2 N4 O17 -","- C41 H31 Co2 N4 O17 -","- C82 H62 Co4 N8 O34 -","2","1","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.1598","0.0668","","","0.1552","0.1797","","","","","","0.768","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500986","16.8478","0.0008","17.0353","0.0009","8.0615","0.0005","90","","90","","90","","2313.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C86 H70 Cu4 N8 O35 -","- C86 H64 Cu4 N8 O35 -","- C86 H64 Cu4 N8 O35 -","1","0.25","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.0809","0.0441","","","0.1026","0.1099","","","","","","0.707","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500987","16.272","0.005","16.272","0.005","29.936","0.005","90","0.005","90","0.005","90","0.005","7926","4","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C45 H28 Co2 N4 O20 -","- C45 H20 Co2 N4 O20 -","- C360 H160 Co16 N32 O160 -","8","0.25","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71069","MoKα","","0.0888","0.0365","","","0.0711","0.0758","","","","","","0.788","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500988","14.8271","0.0007","14.287","0.0007","27.5557","0.0014","90","","97.689","0.005","90","","5784.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 Cd N4 O29 -","- C52 H38 Cd N4 O29 -","- C208 H152 Cd4 N16 O116 -","4","1","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.1768","0.0841","","","0.1539","0.1844","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500989","12.1799","0.0007","16.0955","0.0012","21.5932","0.0018","90","","90","","90","","4233.2","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H56 Ge4 N12 Ni2 O S10 -","- C18 H56 Ge4 N12 Ni2 O S10 -","- C72 H224 Ge16 N48 Ni8 O4 S40 -","4","1","","Liu, Guang-Ning; Lin, Jian-Di; Xu, Zhong-Ning; Liu, Zhi-Fa; Guo, Guo-Cong; Huang, Jin-Shun","Spontaneous Resolution of a New Thiogermanate Containing Chiral Binuclear Nickel(II) Complexes with Achiral Triethylenetetramine Ligands: A Unique Water-Mediated Supramolecular Hybrid Helix","Crystal Growth & Design","2011","11","8","3318","","10.1021/cg2005826","","","0.71073","MoKα","","0.078","0.0496","","","0.1114","0.1273","","","","","","0.999","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500990","12.151","0.002","15.996","0.003","21.588","0.004","90","","90","","90","","4196","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H56 Ge4 N12 Ni2 O S10 -","- C18 H56 Ge4 N12 Ni2 O S10 -","- C72 H224 Ge16 N48 Ni8 O4 S40 -","4","1","","Liu, Guang-Ning; Lin, Jian-Di; Xu, Zhong-Ning; Liu, Zhi-Fa; Guo, Guo-Cong; Huang, Jin-Shun","Spontaneous Resolution of a New Thiogermanate Containing Chiral Binuclear Nickel(II) Complexes with Achiral Triethylenetetramine Ligands: A Unique Water-Mediated Supramolecular Hybrid Helix","Crystal Growth & Design","2011","11","8","3318","","10.1021/cg2005826","","","0.71073","MoKα","","0.0418","0.0379","","","0.103","0.1065","","","","","","1.009","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4500991","22.266","0.005","22.266","0.005","22.266","0.005","90","","90","","90","","11039","4","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C50 H90 N2 O18 Zn2 -","- C18 H6 O12 Zn2 -","- C144 H48 O96 Zn16 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.5418","CuKα","","0.1037","0.0978","","","0.2731","0.2795","","","","","","1.086","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500992","22.2434","0.0011","22.2434","0.0011","22.2434","0.0011","90","","90","","90","","11005.3","0.9","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C50 H92 Co2 N2 O19 -","- C18 H6 Co2 O12 -","- C144 H48 Co16 O96 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1545","0.125","","","0.3577","0.3805","","","","","","1.238","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500993","23.4246","0.0006","23.4246","0.0006","21.3264","0.0012","90","","90","","90","","11702","0.8","130","2","130","2","","","","","","","","5","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- C50 H104 Mn2 N2 O25 -","- C18 H6 Mn2 O12 -","- C144 H48 Mn16 O96 -","8","0.25","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1509","0.1252","","","0.3471","0.3675","","","","","","1.196","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500994","22.1014","0.0013","22.1014","0.0013","22.1014","0.0013","90","","90","","90","","10795.9","1.1","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C50 H86 N2 Ni2 O16 -","- C18 H6 Ni2 O12 -","- C144 H48 Ni16 O96 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1121","0.1048","","","0.3997","0.4083","","","","","","1.722","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500995","22.1408","0.001","22.1408","0.001","22.1408","0.001","90","","90","","90","","10853.8","0.8","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C50 H96 Fe2 N2 O21 -","- C18 H6 Fe2 O12 -","- C144 H48 Fe16 O96 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1194","0.0991","","","0.2797","0.3104","","","","","","1.089","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500996","22.215","0.003","22.215","0.003","22.215","0.003","90","","90","","90","","10963","3","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C52 H86 N2 O14 Zn2 -","- C18 H6 O12 Zn2 -","- C144 H48 O96 Zn16 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.141","0.0873","","","0.2152","0.2317","","","","","","0.826","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500997","22.7292","0.0006","22.7292","0.0006","22.7292","0.0006","90","","90","","90","","11742.3","0.5","130","2","130","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C58 H104 Cl6 Mn2 N2 O20 -","- C18 Cl6 Mn2 O12 -","- C144 Cl48 Mn16 O96 -","8","0.166667","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1366","0.0954","","","0.2272","0.2441","","","","","","1.077","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500998","5.601","0.0006","13.344","0.001","31.751","0.002","90","","90","","90","","2373.1","0.3","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","Barium uranyl piroarsenate","","","- As6 Ba4 O25 U2 -","- As6 Ba4 O25 U2 -","- As24 Ba16 O100 U8 -","4","1","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Structural Complexity of Barium Uranyl Arsenates: Synthesis, Structure, and Topology of Ba4[(UO2)2(As2O7)3], Ba3[(UO2)2(AsO4)2(As2O7)], and Ba5Ca[(UO2)8(AsO4)4O8]","Crystal Growth & Design","2011","11","7","3295","","10.1021/cg200592s","","","0.71073","MoKα","","0.0475","0.0441","","","0.117","0.1226","","","","","","1.05","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500999","19.246","0.002","9.536","0.001","9.619","0.001","90","","95.585","0.006","90","","1757","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Barium uranyl mixed arsenate","","","- As4 Ba3 O19 U2 -","- As4 Ba3 O19 U2 -","- As16 Ba12 O76 U8 -","4","0.5","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Structural Complexity of Barium Uranyl Arsenates: Synthesis, Structure, and Topology of Ba4[(UO2)2(As2O7)3], Ba3[(UO2)2(AsO4)2(As2O7)], and Ba5Ca[(UO2)8(AsO4)4O8]","Crystal Growth & Design","2011","11","7","3295","","10.1021/cg200592s","","","0.71073","MoKα","","0.0501","0.049","","","0.1309","0.132","","","","","","1.097","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4501000","12.073","0.001","12.838","0.001","13.472","0.001","90","","116.969","0.003","90","","1861","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","barium calcium uranyl arsenate","","","- As4 Ba5 Ca O40 U8 -","- As4 Ba5 Ca O40 U8 -","- As8 Ba10 Ca2 O80 U16 -","2","0.5","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Structural Complexity of Barium Uranyl Arsenates: Synthesis, Structure, and Topology of Ba4[(UO2)2(As2O7)3], Ba3[(UO2)2(AsO4)2(As2O7)], and Ba5Ca[(UO2)8(AsO4)4O8]","Crystal Growth & Design","2011","11","7","3295","","10.1021/cg200592s","","","0.71073","MoKα","","0.0619","0.0584","","","0.1149","0.1169","","","","","","1.333","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501001","4.9382","0.0007","12.6849","0.0018","14.696","0.002","108.041","0.001","92.996","0.002","97.953","0.002","862.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H6 F4 I2 N2 O -","- C17 H6 F4 I2 N2 O -","- C34 H12 F8 I4 N4 O2 -","2","1","","Ji, Baoming; Wang, Weizhou; Deng, Dongsheng; Zhang, Yu","Symmetrical Bifurcated Halogen Bond: Design and Synthesis","Crystal Growth & Design","2011","11","8","3622","","10.1021/cg200603z","","","0.71073","MoKα","","0.0323","0.025","","","0.0585","0.0626","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501002","5.3613","0.0013","15.321","0.004","11.904","0.003","90","","101.207","0.002","90","","959.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H3 F2 I N O -","- C9 H3 F2 I N O -","- C36 H12 F8 I4 N4 O4 -","4","1","","Ji, Baoming; Wang, Weizhou; Deng, Dongsheng; Zhang, Yu","Symmetrical Bifurcated Halogen Bond: Design and Synthesis","Crystal Growth & Design","2011","11","8","3622","","10.1021/cg200603z","","","0.71073","MoKα","","0.0376","0.0267","","","0.0659","0.0732","","","","","","1.008","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501003","13.985","0.002","15.55","0.003","4.6026","0.0007","90","","101.769","0.002","90","","979.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H14 F4 I2 N4 -","- C18 H14 F4 I2 N4 -","- C36 H28 F8 I4 N8 -","2","0.25","","Ji, Baoming; Wang, Weizhou; Deng, Dongsheng; Zhang, Yu","Symmetrical Bifurcated Halogen Bond: Design and Synthesis","Crystal Growth & Design","2011","11","8","3622","","10.1021/cg200603z","","","0.71073","MoKα","","0.0196","0.0183","","","0.0448","0.046","","","","","","1.049","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4501004","8.1331","0.0006","14.6556","0.001","16.8257","0.0012","90","","90","","90","","2005.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O7 S Zn -","- C17 H18 N4 O7 S Zn -","- C68 H72 N16 O28 S4 Zn4 -","4","1","","Liu, Qing-Yan; Wang, Yu-Ling; Zhang, Na; Jiang, Yun-Liang; Wei, Jia-Jia; Luo, Feng","Spontaneous Resolution in the Ionothermal Synthesis of Homochiral Zn(II) Metal‒Organic Frameworks with (10,3)-aTopology Constructed from Achiral 5-Sulfoisophthalate","Crystal Growth & Design","2011","11","9","3717","","10.1021/cg200606r","","","0.71073","MoKα","","0.0495","0.0347","","","0.0695","0.0738","","","","","","1.018","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501005","8.1331","0.0006","14.6556","0.001","16.8257","0.0012","90","","90","","90","","2005.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O7 S Zn -","- C17 H18 N4 O7 S Zn -","- C68 H72 N16 O28 S4 Zn4 -","4","1","","Liu, Qing-Yan; Wang, Yu-Ling; Zhang, Na; Jiang, Yun-Liang; Wei, Jia-Jia; Luo, Feng","Spontaneous Resolution in the Ionothermal Synthesis of Homochiral Zn(II) Metal‒Organic Frameworks with (10,3)-aTopology Constructed from Achiral 5-Sulfoisophthalate","Crystal Growth & Design","2011","11","9","3717","","10.1021/cg200606r","","","0.71073","MoKα","","0.0303","0.0277","","","0.0688","0.0699","","","","","","1.017","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501006","9.4","0.002","7.337","0.002","10.007","0.003","90","","105.25","0.02","90","","665.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C3 H7 Cl N6 -","- C3 H7 Cl N6 -","- C12 H28 Cl4 N24 -","4","1","","Naik, Anil D.; Tinant, Bernard; Léonard, Alexandre; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","(Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons","Crystal Growth & Design","2011","11","9","4034","","10.1021/cg200612j","","","0.71069","MoKα","","0.0344","0.0332","","","0.0825","0.0839","","","","","","1.045","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501007","6.183","0.002","6.205","0.002","8.795","0.003","83.75","0.02","78.82","0.02","86.52","0.02","328.78","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 Cl N5 O -","- C2 H8 Cl N5 O -","- C4 H16 Cl2 N10 O2 -","2","1","","Naik, Anil D.; Tinant, Bernard; Léonard, Alexandre; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","(Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons","Crystal Growth & Design","2011","11","9","4034","","10.1021/cg200612j","","","0.71069","MoKα","","0.0457","0.043","","","0.1146","0.1209","","","","","","1.243","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501008","13.358","0.002","9.694","0.005","10.999","0.003","90","","123.03","0.03","90","","1194.1","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Cl2 N10 Zn -","- C4 H10 Cl2 N10 Zn -","- C16 H40 Cl8 N40 Zn4 -","4","0.5","","Naik, Anil D.; Tinant, Bernard; Léonard, Alexandre; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","(Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons","Crystal Growth & Design","2011","11","9","4034","","10.1021/cg200612j","","","0.71069","MoKα","","0.0409","0.0382","","","0.1004","0.1017","","","","","","1.166","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501009","7.1364","0.0005","11.4297","0.0009","11.7485","0.001","62.658","0.004","75.568","0.005","88.56","0.005","819.91","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C11 H12 Cl Cu K N2 O8 S -","- C11 H12 Cl Cu K N2 O8 S -","- C22 H24 Cl2 Cu2 K2 N4 O16 S2 -","2","1","","Kopylovich, Maximilian N.; Karabach, Yauhen Yu.; Mahmudov, Kamran T.; Haukka, Matti; Kirillov, Alexander M.; Figiel, Paweł J.; Pombeiro, Armando J. L.","Heterometallic Copper(II)‒Potassium 3D Coordination Polymers Driven by Multifunctionalized Azo Derivatives of β-Diketones","Crystal Growth & Design","2011","11","10","4247","","10.1021/cg200615s","","","0.71073","MoKα","","0.0942","0.0697","","","0.1726","0.1894","","","","","","1.069","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501010","12.6476","0.0002","6.6691","0.0001","20.3388","0.0003","90","","96.917","0.001","90","","1703.05","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cu K N3 O11 S -","- C11 H14 Cu K N3 O11 S -","- C44 H56 Cu4 K4 N12 O44 S4 -","4","1","","Kopylovich, Maximilian N.; Karabach, Yauhen Yu.; Mahmudov, Kamran T.; Haukka, Matti; Kirillov, Alexander M.; Figiel, Paweł J.; Pombeiro, Armando J. L.","Heterometallic Copper(II)‒Potassium 3D Coordination Polymers Driven by Multifunctionalized Azo Derivatives of β-Diketones","Crystal Growth & Design","2011","11","10","4247","","10.1021/cg200615s","","","0.71073","MoKα","","0.0391","0.0288","","","0.0714","0.0757","","","","","","1.067","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501011","19.136","0.011","19.813","0.012","5.177","0.003","90","","90","","90","","1963","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Maguire, Anita R.; Lawrence, Simon E.","Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides","Crystal Growth & Design","2011","11","10","4433","","10.1021/cg2006277","","","0.71073","MoKα","","0.0807","0.0431","","","0.0822","0.0942","","","","","","0.999","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501012","18.71","0.11","20.13","0.05","5.197","0.016","90","","90","","90","","1957","14","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Maguire, Anita R.; Lawrence, Simon E.","Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides","Crystal Growth & Design","2011","11","10","4433","","10.1021/cg2006277","","","0.71073","MoKα","","0.0926","0.0466","","","0.0838","0.0991","","","","","","0.985","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501013","18.822","0.003","19.735","0.003","5.1366","0.0006","90","","90","","90","","1908","0.5","135","2","135","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Cl N O2 S -","- C21 H20 Cl N O2 S -","- C84 H80 Cl4 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Maguire, Anita R.; Lawrence, Simon E.","Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides","Crystal Growth & Design","2011","11","10","4433","","10.1021/cg2006277","","","0.71073","MoKα","","0.0723","0.0466","","","0.0866","0.0961","","","","","","1.019","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501014","14.6467","0.001","14.6467","0.001","13.7488","0.0012","90","","90","","90","","2949.5","0.4","173","2","173","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C58 H60 Co2 N2 O12 S4 -","- C58 H60 Co2 N2 O12 S4 -","- C116 H120 Co4 N4 O24 S8 -","2","0.25","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.0952","0.0773","","","0.2159","0.2269","","","","","","1.071","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501015","22.6129","0.0003","22.6129","0.0003","45.2251","0.0006","90","","90","","90","","23125.5","0.5","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C68 H76 Co2 N4 O16 S4 -","- C68 H76 Co2 N4 O16 S4 -","- C544 H608 Co16 N32 O128 S32 -","8","0.25","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.0723","0.0465","","","0.1215","0.128","","","","","","1.014","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501016","12.7259","0.0002","36.7932","0.0006","20.4626","0.0004","90","","116.104","0.001","90","","8603.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H172 Co3 N12 Na2 O38 S8 -","- C144 H164 Co3 N12 Na2 O38 S8 -","- C288 H328 Co6 N24 Na4 O76 S16 -","2","0.5","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.1184","0.0748","","","0.2205","0.2547","","","","","","1.041","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501017","20.3454","0.0016","14.9971","0.0012","22.4622","0.0017","90","","103.852","0.005","90","","6654.4","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H166 Cd4 N8 O32 S8 -","- C120 H166 Cd4 N8 O32 S8 -","- C240 H332 Cd8 N16 O64 S16 -","2","0.5","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.1917","0.0758","","","0.1708","0.234","","","","","","1.032","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501018","7.0118","0.0013","7.3848","0.0017","9.9023","0.0017","95.805","0.002","106.502","0.003","110.677","0.002","448.21","0.15","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4,7-dimethyl-2H-chromen-2-one","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Seth, Saikat Kumar; Sarkar, Debayan; Jana, Atish Dipankar; Kar, Tanusree","On the Possibility of Tuning Molecular Edges To Direct Supramolecular Self-Assembly in Coumarin Derivatives through Cooperative Weak Forces: Crystallographic and Hirshfeld Surface Analyses","Crystal Growth & Design","2011","11","11","4837","","10.1021/cg2006343","","","0.71073","MoKα","","0.0552","0.0424","","","0.116","0.1273","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501019","7.038","0.0011","9.396","0.003","13.358","0.0011","90","","98.932","0.006","90","","872.6","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-4,7-dimethyl-2H-chromen-2-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Jana, Atish Dipankar; Kar, Tanusree","On the Possibility of Tuning Molecular Edges To Direct Supramolecular Self-Assembly in Coumarin Derivatives through Cooperative Weak Forces: Crystallographic and Hirshfeld Surface Analyses","Crystal Growth & Design","2011","11","11","4837","","10.1021/cg2006343","","","0.71073","MoKα","","0.0345","0.0333","","","0.0945","0.0962","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501020","12.529","0.008","12.889","0.003","12.689","0.004","90","","115.679","0.002","90","","1846.7","1.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6-methoxy-7-methyl-2H-chromen-2-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","","Seth, Saikat Kumar; Sarkar, Debayan; Jana, Atish Dipankar; Kar, Tanusree","On the Possibility of Tuning Molecular Edges To Direct Supramolecular Self-Assembly in Coumarin Derivatives through Cooperative Weak Forces: Crystallographic and Hirshfeld Surface Analyses","Crystal Growth & Design","2011","11","11","4837","","10.1021/cg2006343","","","0.71073","MoKα","","0.0597","0.0444","","","0.1221","0.1363","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501021","4.1622","0.0005","10.5891","0.0013","21.932","0.003","90","","91.696","0.004","90","","966.2","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Jana, Atish Dipankar; Kar, Tanusree","On the Possibility of Tuning Molecular Edges To Direct Supramolecular Self-Assembly in Coumarin Derivatives through Cooperative Weak Forces: Crystallographic and Hirshfeld Surface Analyses","Crystal Growth & Design","2011","11","11","4837","","10.1021/cg2006343","","","0.71073","MoKα","","0.0473","0.0365","","","0.0898","0.097","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501022","7.0532","0.0003","14.0806","0.0006","12.0234","0.0006","90","","90.999","0.001","90","","1193.9","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","2","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0304","0.0293","","","0.0756","0.077","","","","","","1.054","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501023","8.3327","0.0003","18.8237","0.0007","7.0193","0.0003","90","","91.799","0.001","90","","1100.45","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O4 -","- C14 H9 N O4 -","- C56 H36 N4 O16 -","4","1","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0443","0.0408","","","0.1084","0.1117","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501024","19.6828","0.0019","9.6776","0.0009","14.1849","0.0014","90","","114.061","0.002","90","","2467.2","0.4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C120 H88 N8 O32 -","8","1","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0551","0.0431","","","0.1145","0.1238","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501025","7.2902","0.0004","11.9959","0.0007","14.9283","0.0009","90","","102.195","0.001","90","","1276.06","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0427","0.0359","","","0.0984","0.1026","","","","","","1.079","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501026","12.7242","0.0006","20.4744","0.001","7.5919","0.0004","90","","114.921","0.001","90","","1793.69","0.15","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","0.5","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0508","0.0416","","","0.1135","0.1201","","","","","","1.079","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501027","23.985","0.0008","23.985","0.0008","26.9081","0.0018","90","","90","","120","","13405.8","1.1","150","2","150","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C19 H11 N O4 -","- C19 H11 N O4 -","- C684 H396 N36 O144 -","36","1","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0679","0.0351","","","0.0628","0.0712","","","","","","0.881","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501028","13.641","0.003","25.222","0.005","17","0.003","90","","103.37","0.03","90","","5690","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hexamanganese(II)hydroxy undecabutyrate","Hexamanganese(II)hydroxy undecabutyrate","","- C44 H78 Mn6 O23 -","- C44 H78 Mn6 O23 -","- C176 H312 Mn24 O92 -","4","1","","Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H.","Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties","Crystal Growth & Design","2011","11","9","4080","","10.1021/cg200649n","","","0.7514","Synchrotron","","0.0836","0.0766","","","0.2464","0.251","","","","","","1.039","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501029","14.65","0.003","25.263","0.005","17.207","0.003","90","","106.9","0.03","90","","6093","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hexamanganese(II)hydroxy undecabutyrate","Hexamanganese(II)hydroxy undecabutyrate","","- C44 H78 Mn6 O23 -","- C44 H78 Mn6 O23 -","- C176 H312 Mn24 O92 -","4","1","","Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H.","Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties","Crystal Growth & Design","2011","11","9","4080","","10.1021/cg200649n","","","0.7514","Synchrotron","","0.0998","0.0889","","","0.2907","0.3003","","","","","","1.061","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501030","40.059","0.005","40.059","0.005","40.059","0.005","90","","90","","90","","64284","14","100","2","100","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","Pentamanganese(II) decabutyrate dihydrate","Manganese(II) butyrate hydrate (0.4)","","- C40 H74 Mn5 O22 -","- C40 H74 Mn5 O22 -","- C1920 H3552 Mn240 O1056 -","48","1","","Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H.","Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties","Crystal Growth & Design","2011","11","9","4080","","10.1021/cg200649n","","","0.7514","Synchrotron","","0.0351","0.0343","","","0.09","0.0905","","","","","","1.026","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501031","40.58","0.005","40.58","0.005","40.58","0.005","90","","90","","90","","66825","14","298","2","298","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","Pentamanganese(II) decabutyrate dihydrate","Manganese(II) butyrate hydrate (0.4)","","- C40 H74 Mn5 O22 -","- C40 H74 Mn5 O22 -","- C1920 H3552 Mn240 O1056 -","48","1","","Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H.","Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties","Crystal Growth & Design","2011","11","9","4080","","10.1021/cg200649n","","","0.7513","Synchrotron","","0.0424","0.0394","","","0.1109","0.1137","","","","","","1.006","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501032","9.9318","0.0012","10.998","0.0008","14.451","0.0004","99.617","0.005","107.067","0.007","103.331","0.007","1420.8","0.2","208","2","208","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H25 B Cl2 Cu F4 N4 P -","- C27 H25 B Cl2 Cu F4 N4 P -","- C54 H50 B2 Cl4 Cu2 F8 N8 P2 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.0478","0.0361","","0.0846","0.0785","0.0846","","","1.054","","","1.054","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501033","10.1515","0.0009","11.1543","0.0017","14.5731","0.0008","101.892","0.011","106.289","0.006","104.671","0.011","1462.5","0.3","208","2","208","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H31 B Cu F4 N4 O P -","- C30 H31 B Cu F4 N4 O P -","- C60 H62 B2 Cu2 F8 N8 O2 P2 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.0764","0.051","","0.1142","0.1036","0.1142","","","1.081","","","1.081","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501034","27.99","0.004","11.112","0.006","17.2816","0.0018","90","","102.175","0.011","90","","5254","3","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 Cl4 Cu N2 O4 P -","- C23 H20 Cl4 Cu N2 O4 P -","- C184 H160 Cl32 Cu8 N16 O32 P8 -","8","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1301","0.0908","","0.259","0.2308","0.259","","","1.028","","","1.028","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501035","9.9525","0.0012","11.0093","0.0011","14.5265","0.0016","99.609","0.006","107.635","0.009","103.227","0.007","1428","0.3","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Cl3 Cu N4 O4 P -","- C27 H25 Cl3 Cu N4 O4 P -","- C54 H50 Cl6 Cu2 N8 O8 P2 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.0732","0.0488","","0.0921","0.0841","0.0921","","","1.084","","","1.084","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501036","19.039","0.003","23.6793","0.0017","26.077","0.004","90","","94.572","0.011","90","","11719","3","208","2","208","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C119 H121 Cl3 Cu3 N9 O17 P3 -","- C119 H121 Cl3 Cu3 N9 O17 P3 -","- C476 H484 Cl12 Cu12 N36 O68 P12 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1015","0.0608","","0.1829","0.1617","0.1829","","","1.087","","","1.087","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501037","11.0417","0.0011","17.3398","0.0014","19.8809","0.0012","90","","102.275","0.006","90","","3719.4","0.5","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Cl5 Cu N3 O4 P -","- C35 H31 Cl5 Cu N3 O4 P -","- C140 H124 Cl20 Cu4 N12 O16 P4 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1032","0.0649","","0.1531","0.1344","0.1531","","","1.051","","","1.051","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501038","12.882","0.0009","15.9637","0.0015","16.7495","0.0014","67.131","0.008","89.524","0.005","72.358","0.009","3000.8","0.5","208","2","208","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H42 B Cl12 Cu F4 N2 P2 -","- C50 H42 B Cl12 Cu F4 N2 P2 -","- C100 H84 B2 Cl24 Cu2 F8 N4 P4 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1522","0.1181","","0.3149","0.2964","0.3149","","","1.085","","","1.085","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501039","11.0271","0.0015","17.337","0.002","19.9735","0.0016","90","","102.459","0.008","90","","3728.5","0.7","208","2","208","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 B Cl4 Cu F4 N3 P -","- C35 H31 B Cl4 Cu F4 N3 P -","- C140 H124 B4 Cl16 Cu4 F16 N12 P4 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.0978","0.0606","","0.1434","0.1249","0.1434","","","1.06","","","1.06","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501040","19.044","0.002","23.6112","0.0008","26.174","0.004","90","","94.589","0.01","90","","11731","2","208","2","208","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C115 H113 B3 Cu3 F12 N9 O4 P3 -","- C115 H113 B3 Cu3 F12 N9 O4 P3 -","- C460 H452 B12 Cu12 F48 N36 O16 P12 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1538","0.1009","","0.3106","0.282","0.3106","","","1.047","","","1.047","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501041","19.0455","0.0015","19.2388","0.0012","24.4262","0.001","90","","90","","90","","8950.1","1","208","2","208","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C50 H46 Cu F6 N2 O P3 -","- C50 H46 Cu F6 N2 O P3 -","- C400 H368 Cu8 F48 N16 O8 P24 -","8","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1409","0.0762","","0.1614","0.1376","0.1614","","","1.083","","","1.083","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501042","11.133","0.0014","17.542","0.002","20.2848","0.0013","90","","103.652","0.006","90","","3849.6","0.7","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Cl4 Cu F6 N3 P2 -","- C35 H31 Cl4 Cu F6 N3 P2 -","- C140 H124 Cl16 Cu4 F24 N12 P8 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71083","MoKα","","0.1461","0.0977","","0.2588","0.2284","0.2588","","","1.052","","","1.052","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501043","14.3","0.003","18.7302","0.0014","22.717","0.004","90","","119.867","0.011","90","","5276.4","1.6","208","2","208","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 B Cu F4 N2 O3 P2 -","- C58 H62 B Cu F4 N2 O3 P2 -","- C232 H248 B4 Cu4 F16 N8 O12 P8 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.13","0.0715","","0.2074","0.1735","0.2074","","","1.047","","","1.047","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501044","19.034","0.004","16.284","0.002","17.279","0.002","90","","92.493","0.012","90","","5350.6","1.4","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 Cl10 Cu N2 O4 P2 -","- C49 H41 Cl10 Cu N2 O4 P2 -","- C196 H164 Cl40 Cu4 N8 O16 P8 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.2081","0.1211","","0.3394","0.288","0.3394","","","1.036","","","1.036","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501045","12.8791","0.0015","15.598","0.003","16.47","0.002","63.679","0.01","79.279","0.012","80.168","0.014","2899.2","0.8","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H42 Cl12 Cu F6 N2 P3 -","- C49.327 H41.327 Cl9.981 Cu F5.358 N2 P2.893 -","- C98.654 H82.654 Cl19.962 Cu2 F10.716 N4 P5.786 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1808","0.1009","","0.2729","0.233","0.2729","","","1.044","","","1.044","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501046","14.3365","0.001","18.757","0.003","22.7858","0.0019","90","","120.536","0.005","90","","5277.5","1.1","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cl Cu N2 O7 P2 -","- C58 H62 Cl Cu N2 O7 P2 -","- C232 H248 Cl4 Cu4 N8 O28 P8 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1134","0.0732","","0.1881","0.1677","0.1881","","","1.055","","","1.055","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501047","10.6227","0.0004","12.5763","0.0016","14.1396","0.0008","63.634","0.006","72.594","0.004","74.095","0.006","1592.8","0.2","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 Cu F6 N4 O P2 -","- C26 H23 Cu F6 N4 P2 -","- C52 H46 Cu2 F12 N8 P4 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1704","0.0986","","0.2247","0.1951","0.2247","","","1.031","","","1.031","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501048","11.512","0.002","11.456","0.002","7.1028","0.0015","90","","90","","90","","936.7","0.3","291","2","291","2","","","","","","","see text","3","A b a 2","A 2 -2ab","41","","(1s,6s)-11,13-dioxatricyclo[4.4.3.0^1,6^]trideca-3,8-dien-12-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","","","Mehta, Goverdhan; Sen, Saikat","Interesting Modes of Self-assembly of Achiral 12-Oxo-11,13-dioxa[4.4.3]propellanes in a Noncentrosymmetric Environment","Crystal Growth & Design","2011","11","9","3721","","10.1021/cg200665w","","","0.71073","MoKa","","0.0567","0.0495","","","0.1176","0.1216","","","","","","1.215","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501049","7.6793","0.0007","10.2749","0.001","12.4329","0.0012","90","","90","","90","","981.01","0.16","291","2","291","2","","","","","","","see text","3","C 2 2 21","C 2c 2","20","","(1s,6s)-11,13-dioxatricyclo[4.4.3.01,6]tridecan-12-one","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","0.5","","Mehta, Goverdhan; Sen, Saikat","Interesting Modes of Self-assembly of Achiral 12-Oxo-11,13-dioxa[4.4.3]propellanes in a Noncentrosymmetric Environment","Crystal Growth & Design","2011","11","9","3721","","10.1021/cg200665w","","","0.71073","MoKa","","0.0366","0.0352","","","0.0866","0.0876","","","","","","1.097","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501050","8.047","0.002","14.343","0.004","7.804","0.002","90","","91.885","0.004","90","","900.2","0.4","291","2","291","2","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","(1s,6s)-11,13-dioxatricyclo[4.4.3.0^1,6^]trideca-2,4,7,9-tetraen-12-one","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","0.5","","Mehta, Goverdhan; Sen, Saikat","Interesting Modes of Self-assembly of Achiral 12-Oxo-11,13-dioxa[4.4.3]propellanes in a Noncentrosymmetric Environment","Crystal Growth & Design","2011","11","9","3721","","10.1021/cg200665w","","","0.71073","MoKa","","0.0577","0.0478","","","0.1121","0.1169","","","","","","1.082","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501051","5.5559","0.0011","10.321","0.002","19.819","0.004","82.82","0.03","88.63","0.03","82.49","0.03","1117.9","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Metaxalone","5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational Polymorphs of a Muscle Relaxant, Metaxalone","Crystal Growth & Design","2011","11","9","4101","","10.1021/cg200678e","","","0.71073","MoKα","","0.0755","0.0709","","","0.1939","0.1997","","","","","","1.098","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501052","10.101","0.002","15.505","0.003","7.1101","0.0014","90","","91.23","0.03","90","","1113.3","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metaxalone","5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational Polymorphs of a Muscle Relaxant, Metaxalone","Crystal Growth & Design","2011","11","9","4101","","10.1021/cg200678e","","","0.71073","MoKα","","0.0955","0.0843","","","0.2315","0.2421","","","","","","1.133","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501053","12.3254","0.0004","13.5063","0.0005","20.0938","0.0007","93.146","0.003","95.493","0.002","92.688","0.002","3320.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cl N10 O15 -","- C27 H25 Cl N10 O15 -","- C108 H100 Cl4 N40 O60 -","4","2","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1085","0.0565","","","0.136","0.1584","","","","","","0.951","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501054","15.1066","0.0006","20.5781","0.0008","22.96","0.0008","90","","102.365","0.002","90","","6971.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br N10 O16 -","- C27 H26 Br N10 O16 -","- C216 H208 Br8 N80 O128 -","8","2","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1445","0.0555","","","0.1456","0.1666","","","","","","0.901","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501055","11.2376","0.0009","11.5873","0.001","16.4312","0.0012","100.305","0.004","106.26","0.004","94.657","0.005","2001.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 Cl N10 O22 S -","- C29 H33 Cl N10 O22 S -","- C58 H66 Cl2 N20 O44 S2 -","2","1","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1163","0.0919","","","0.207","0.2428","","","","","","0.919","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501056","22.249","0.002","11.9035","0.0011","15.5067","0.0013","90","","112.327","0.005","90","","3798.9","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H31 N10 O21 S2 -","- C29 H31 N10 O21 S2 -","- C116 H124 N40 O84 S8 -","4","1","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1015","0.0605","","","0.1432","0.1578","","","","","","0.998","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501057","9.8296","0.0006","19.1561","0.0013","19.1973","0.0013","61.201","0.003","83.109","0.004","89.652","0.004","3139.2","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H72 F N11 O21 S2 -","- C47 H72 F N11 O21 S2 -","- C94 H144 F2 N22 O42 S4 -","2","1","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1536","0.0914","","","0.1859","0.2449","","","","","","1.01","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501058","8.228","0.0012","13.663","0.002","11.852","0.003","90","","101.897","0.018","90","","1303.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-methylpyridinium picrate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1582","0.0646","","","0.1579","0.186","","","","","","0.897","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501059","8.2573","0.0014","24.472","0.003","8.1377","0.0013","90","","119.16","0.02","90","","1436","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-dimethylpyridinium picrate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1184","0.0966","","","0.2175","0.2263","","","","","","1.172","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501060","15.984","0.004","15.327","0.004","6.1356","0.0016","90","","90","","90","","1503.1","0.7","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,5-dimethylpyridinium picrate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.054","0.0364","","","0.0963","0.1027","","","","","","0.952","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501061","4.0152","0.0003","27.818","0.002","13.8747","0.001","90","","95.667","0.007","90","","1542.2","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-trimethylpyridinium picrate","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C56 H56 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1007","0.0407","","","0.0853","0.0957","","","","","","0.837","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501062","12.4255","0.0005","6.8019","0.0003","17.9141","0.0009","90","","95.388","0.004","90","","1507.36","0.12","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","quinolinium picrate","","- C15 H10 N4 O7 -","- C15 H10 N4 O7 -","- C60 H40 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0625","0.0412","","","0.1048","0.1118","","","","","","0.925","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501063","12.074","0.0009","29.58","0.002","3.9708","0.0004","90","","90","","90","","1418.2","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-aminopyridinium picrate monohydrate","","- C11 H11 N5 O8 -","- C11 H11 N5 O8 -","- C44 H44 N20 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1336","0.0296","","","0.0187","0.0231","","","","","","0.608","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501064","8.2291","0.0004","13.59","0.0006","11.8469","0.0005","90","","102.013","0.004","90","","1295.87","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-aminopyridinium picrate","","- C11 H9 N5 O7 -","- C11 H9 N5 O7 -","- C44 H36 N20 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0735","0.0462","","","0.1276","0.1358","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501065","31.4591","0.0016","29.417","0.0012","6.394","0.0003","90","","90","","90","","5917.2","0.5","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2amino-3-nitropyridinium picrate","","- C11 H8 N6 O9 -","- C11 H8 N6 O9 -","- C176 H128 N96 O144 -","16","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0579","0.0335","","","0.0664","0.0704","","","","","","0.877","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501066","10.6595","0.0014","8.8","0.004","14.2786","0.0008","90","","96.352","0.01","90","","1331.2","0.6","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2amino-3-hydroxylpyridinium picrate","","- C11 H9 N5 O8 -","- C11 H9 N5 O8 -","- C44 H36 N20 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0516","0.0408","","","0.1046","0.1077","","","","","","0.941","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501067","35.02","0.004","4.6148","0.0003","29.095","0.002","90","","142.052","0.003","90","","2891.5","0.5","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-pyridylmethylammonium picrate","","- C12 H11 N5 O7 -","- C12 H11 N5 O7 -","- C96 H88 N40 O56 -","8","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0632","0.0463","","","0.1329","0.1393","","","","","","1.027","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501068","4.0563","0.0002","11.071","0.0004","30.9908","0.0012","90","","90","","90","","1391.71","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-methoxypyrid-3-ylammonium picrate","","- C12 H11 N5 O8 -","- C12 H11 N5 O8 -","- C48 H44 N20 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.052","0.0332","","","0.0702","0.095","","","","","","1.12","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501069","5.4207","0.0007","9.964","0.0015","27.53","0.004","90","","90.684","0.015","90","","1486.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-carboxylpyridinium picrate monohydrate","","- C12 H10 N4 O10 -","- C12 H10 N4 O10 -","- C48 H40 N16 O40 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0684","0.0484","","","0.121","0.1265","","","","","","1.037","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501070","15.8742","0.0013","6.7488","0.0003","15.7272","0.0011","90","","115.246","0.009","90","","1524","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-carboxylpyridinium picrate monohydrate","","- C12 H10 N4 O10 -","- C12 H10 N4 O10 -","- C48 H40 N16 O40 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.082","0.0381","","","0.0941","0.101","","","","","","0.805","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501071","9.6343","0.0004","11.6772","0.0005","17.4037","0.0008","88.539","0.004","84.668","0.004","85.152","0.003","1942.19","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","3-carboxylpyridinium picrate - nicotinic acid","","- C18 H13 N5 O11 -","- C18 H13 N5 O11 -","- C72 H52 N20 O44 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.06","0.036","","","0.0837","0.0884","","","","","","0.867","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501072","7.7574","0.0003","14.4873","0.0004","24.7349","0.0007","90","","90","","90","","2779.8","0.15","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-carbamoylpyridinium picrate","","- C12 H9 N5 O8 -","- C12 H9 N5 O8 -","- C96 H72 N40 O64 -","8","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0798","0.0469","","","0.1287","0.1397","","","","","","1.032","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501073","14.0787","0.0011","7.4927","0.0007","16.0945","0.0013","90","","116.394","0.008","90","","1520.8","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(methylcarboxyl)pyridinium picrate","","- C13 H10 N4 O9 -","- C13 H10 N4 O9 -","- C52 H40 N16 O36 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1048","0.0583","","","0.1609","0.1762","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501074","7.8229","0.0004","8.2179","0.0003","12.3931","0.0005","94.175","0.003","104.293","0.004","101.185","0.004","751.27","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","3-(methylcarboxyl)pyridinium picrate","","- C13 H10 N4 O9 -","- C13 H10 N4 O9 -","- C26 H20 N8 O18 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0407","0.0349","","","0.0902","0.0926","","","","","","1.067","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501075","8.0474","0.0004","8.9275","0.0003","13.1323","0.0006","93.371","0.003","100.517","0.004","94.688","0.003","921.89","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-benzoylpyridinium picrate","","- C18 H12 N4 O8 -","- C18 H12 N4 O8 -","- C36 H24 N8 O16 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0464","0.0385","","","0.1118","0.1156","","","","","","1.176","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501076","7.5238","0.0013","10.989","0.002","22.047","0.004","90","","90.787","0.011","90","","1822.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-benzoylpyridinium picrate","","- C18 H12 N4 O8 -","- C18 H12 N4 O8 -","- C72 H48 N16 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0787","0.0518","","","0.1362","0.142","","","","","","1.142","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501077","7.2883","0.0006","8.2345","0.0008","12.1565","0.0012","97.118","0.008","106.61","0.008","91.114","0.007","692.59","0.12","293","2","295","2","","","","","","","","5","P -1","-P 1","2","","3-amino-2-chloropyridinium picrate","","- C11 H8 Cl N5 O7 -","- C11 H8 Cl N5 O7 -","- C22 H16 Cl2 N10 O14 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.048","0.0413","","","0.1229","0.1269","","","","","","1.115","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501078","25.439","0.004","10.5693","0.0016","14.524","0.002","90","","90","","90","","3905.1","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H44 Cd2 N6 O19 -","- C32 H40 Cd2 N6 O19 -","- C128 H160 Cd8 N24 O76 -","4","1","","Farnum, Gregory A.; Gandolfo, Chaun M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Aliphatic Tricarboxylate Dipyridylamine Coordination Polymers with New or Rare Binodal Topologies","Crystal Growth & Design","2011","11","11","4860","","10.1021/cg2006869","","","0.71073","MoKα","","0.0511","0.045","","","0.1033","0.1062","","","","","","1.115","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501079","7.726","0.003","8.87","0.003","14.216","0.005","84.897","0.004","79.723","0.004","73.883","0.004","920.1","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Cd3 N6 O18 -","- C32 H36 Cd3 N6 O18 -","- C32 H36 Cd3 N6 O18 -","1","0.5","","Farnum, Gregory A.; Gandolfo, Chaun M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Aliphatic Tricarboxylate Dipyridylamine Coordination Polymers with New or Rare Binodal Topologies","Crystal Growth & Design","2011","11","11","4860","","10.1021/cg2006869","","","0.71073","MoKα","","0.0641","0.0486","","","0.1031","0.1099","","","","","","1.152","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501080","27.2048","0.0005","8.5966","0.0001","17.9747","0.0003","90","","122.954","0.001","90","","3527.37","0.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N6 O14 Zn3 -","- C32 H32 N6 O14 Zn3 -","- C128 H128 N24 O56 Zn12 -","4","0.5","","Farnum, Gregory A.; Gandolfo, Chaun M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Aliphatic Tricarboxylate Dipyridylamine Coordination Polymers with New or Rare Binodal Topologies","Crystal Growth & Design","2011","11","11","4860","","10.1021/cg2006869","","","0.71073","MoKα","","0.0341","0.0279","","","0.0677","0.0705","","","","","","1.064","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501081","9.877","0.0006","10.7365","0.0006","15.2604","0.0009","90","","101.916","0.003","90","","1583.41","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cu N3 O6 -","- C16 H15 Cu N3 O6 -","- C64 H60 Cu4 N12 O24 -","4","1","","Farnum, Gregory A.; Gandolfo, Chaun M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Aliphatic Tricarboxylate Dipyridylamine Coordination Polymers with New or Rare Binodal Topologies","Crystal Growth & Design","2011","11","11","4860","","10.1021/cg2006869","","","0.71073","MoKα","","0.0683","0.0498","","","0.1075","0.1175","","","","","","1.034","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501082","8.15","0.004","12.611","0.006","13.746","0.007","110.023","0.014","105.456","0.015","98.199","0.015","1236","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H44 N2 O17 -","- C58 H40 N2 O16 -","- C58 H40 N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1886","0.071","","","0.1395","0.1852","","","","","","0.785","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501083","8.154","0.003","13.877","0.005","22.904","0.009","82.541","0.011","87.688","0.012","73.624","0.012","2465.5","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H44 N2 O17 -","- C58 H39 N2 O16 -","- C116 H78 N4 O32 -","2","1","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1761","0.0801","","","0.2014","0.235","","","","","","1.06","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501084","8.0203","0.0011","12.7391","0.0018","14.0636","0.0019","114.499","0.004","100.823","0.004","98.386","0.004","1243.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H40 N2 O16 -","- C60 H40 N2 O16 -","- C60 H40 N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1114","0.0568","","","0.1458","0.1698","","","","","","0.954","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501085","13.5901","0.0012","7.9936","0.0007","21.335","0.0019","90","","90.121","0.003","90","","2317.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 N2 O16 -","- C56 H36 N2 O16 -","- C112 H72 N4 O32 -","2","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.0792","0.0546","","","0.1676","0.1809","","","","","","1.263","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501086","13.799","0.003","8.2058","0.0016","20.873","0.004","90","","90.402","0.006","90","","2363.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H38 N2 O16 -","- C58 H38 N2 O16 -","- C116 H76 N4 O32 -","2","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1898","0.0758","","","0.1672","0.2153","","","","","","0.803","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501087","8.1441","0.0007","12.4229","0.0011","12.5539","0.0017","113.319","0.003","96.264","0.003","106.516","0.002","1082.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 N2 O18 -","- C42 H28 N2 O16 -","- C42 H28 N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.0518","0.0441","","","0.1519","0.1584","","","","","","1.209","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501088","8.103","0.003","12.474","0.008","12.498","0.005","112.704","0.019","106.631","0.014","96.29","0.02","1081.5","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H38 N2 O18 -","- C42 H28 N2 O16 -","- C42 H28 N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.0609","0.0467","","","0.1435","0.155","","","","","","1.169","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501089","12.7869","0.001","14.4399","0.0012","14.8308","0.0012","116.417","0.002","96.957","0.002","109.554","0.002","2189.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H38 N2 O18 -","- C49 H29 N2 O18 -","- C98 H58 N4 O36 -","2","1","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1331","0.0693","","","0.1665","0.1961","","","","","","0.907","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501090","12.872","0.003","14.222","0.004","14.895","0.006","115.035","0.01","96.909","0.01","110.169","0.007","2202.6","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H38 N2 O18 -","- C42 H20 N2 O16 -","- C84 H40 N4 O32 -","2","1","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1194","0.0697","","","0.1747","0.1951","","","","","","0.985","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501091","8.0922","0.001","12.4611","0.0015","12.587","0.002","113.496","0.005","96.338","0.005","106.722","0.004","1077.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H33 Cl N2 O16 -","- C48 H28 Cl N2 O16 -","- C48 H28 Cl N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1418","0.0635","","","0.1455","0.1871","","","","","","0.958","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501092","9.82","0.007","15.382","0.004","17.779","0.008","90","","121.11","0.02","90","","2299","2","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Br2 Cl3 N2 S -","- C23 H15 Br2 Cl3 N2 S -","- C92 H60 Br8 Cl12 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.036","","","","0.044","","","","","","1.3","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501093","9.969","0.006","23.061","0.006","10.47","0.007","90","","110.26","0.03","90","","2258","2","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br2 Cl2 N2 S -","- C23 H16 Br2 Cl2 N2 S -","- C92 H64 Br8 Cl8 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.053","","","","0.058","","","","","","1.68","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501094","9.487","0.004","12.439","0.003","18.869","0.008","90","","118.19","0.02","90","","1962.6","1.3","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 N2 O S -","- C22 H16 Br2 N2 O S -","- C88 H64 Br8 N8 O4 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.04","","","","0.047","","","","","","1.42","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501095","9.835","0.004","10.43","0.005","11.986","0.005","101.67","0.02","91.2","0.03","107.55","0.02","1143.6","0.9","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Br2 N2 O S -","- C26 H18 Br2 N2 O S -","- C52 H36 Br4 N4 O2 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.045","","","","0.086","","","","","","1.79","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501096","10.05","0.004","23.143","0.008","10.601","0.005","90","","111.38","0.03","90","","2296","1.7","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br4 N2 S -","- C23 H16 Br4 N2 S -","- C92 H64 Br16 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.06","","","","0.074","","","","","","1.7","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501097","18.882","0.008","7.719","0.003","13.205","0.005","90","","98.93","0.02","90","","1901.3","1.3","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br2 N2 S -","- C22 H14 Br2 N2 S -","- C88 H56 Br8 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.038","","","","0.051","","","","","","1.69","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501098","19.323","0.005","84.57","0.02","5.0562","0.0013","90","","90","","90","","8263","4","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H30 N2 O7 S -","- C18 H30 N2 O7 S -","- C288 H480 N32 O112 S16 -","16","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Wen, Yi-Mei; Huang, Rong-Bin; Zheng, Lan-Sun","Solvent-Controlled Rare Case of a Triple Helical Molecular Braid Assembled from Proton-Transferred Sebacic Acid","Crystal Growth & Design","2011","11","8","3323","","10.1021/cg2006953","","","0.71073","MoKα","","0.0546","0.0519","","","0.1261","0.1284","","","","","","1.043","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501099","7.283","0.003","10.528","0.004","10.592","0.004","108.699","0.006","103.443","0.006","107.806","0.005","681.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N4 O6 S2 -","- C26 H34 N4 O6 S2 -","- C26 H34 N4 O6 S2 -","1","0.5","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Wen, Yi-Mei; Huang, Rong-Bin; Zheng, Lan-Sun","Solvent-Controlled Rare Case of a Triple Helical Molecular Braid Assembled from Proton-Transferred Sebacic Acid","Crystal Growth & Design","2011","11","8","3323","","10.1021/cg2006953","","","0.71073","MoKα","","0.0538","0.0453","","","0.1249","0.1299","","","","","","1.034","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501100","6.6247","0.0009","8.1841","0.001","31.834","0.004","87.327","0.004","87.833","0.003","89.486","0.004","1722.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Porada, Jan H.; Neudörfl, Jörg; Blunk, Dirk","Synthesis and Supramolecular Organization of 5-(4-Alkylphenyl)isatin","Crystal Growth & Design","2011","11","8","3648","","10.1021/cg200700r","","","0.71073","MoKα","","0.1449","0.053","","","0.1116","0.1473","","","","","","0.968","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501101","27.5139","0.0002","27.5139","0.0002","27.5139","0.0002","90","","90","","90","","20828.4","0.3","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H204 Cl6 Co6 N42 O72 -","- C156 H132 Cl6 Co6 N42 O72 -","- C624 H528 Cl24 Co24 N168 O288 -","4","0.166667","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","1.54178","CuKα","","0.145","0.0888","","","0.2043","0.2282","","","","","","1.067","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501102","27.4578","0.0003","27.4578","0.0003","27.4578","0.0003","90","","90","","90","","20701.3","0.4","571","2","571","2","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C157 H151 B6 Cl3 Co6 F24 N42 O21 -","- C157 H133 B6 Cl3 Co6 F24 N42 O21 -","- C628 H532 B24 Cl12 Co24 F96 N168 O84 -","4","0.166667","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.2071","0.1216","","","0.2637","0.3094","","","","","","1.056","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501103","27.689","0.005","27.689","0.005","27.689","0.005","90","0.005","90","0.005","90","0.005","21229","7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C316 H328 Cl24 N84 O102 Zn12 -","- C316 H268 Cl24 N84 O102 Zn12 -","- C632 H536 Cl48 N168 O204 Zn24 -","2","0.0833333","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71069","MoKα","","0.156","0.0589","","","0.1287","0.1411","","","","","","1.006","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501104","27.314","0.0001","27.314","0.0001","27.314","0.0001","90","","90","","90","","20377.7","0.13","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C156 H236 B6 F24 N42 O64 Zn6 -","- C156 H132 B6 F24 N42 O64 Zn6 -","- C624 H528 B24 F96 N168 O256 Zn24 -","4","0.166667","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.1174","0.0678","","","0.1846","0.198","","","","","","0.968","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501105","12.976","0.003","18.312","0.004","12.976","0.004","90","","93.68","","90","","3077","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H60 Cl2 N14 Ni2 O18 -","- C54 H56 Cl2 N14 Ni2 O18 -","- C108 H112 Cl4 N28 Ni4 O36 -","2","0.5","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.1205","0.0687","","","0.1726","0.2158","","","","","","1.036","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501106","12.7327","0.0002","18.3419","0.0003","13.1949","0.0003","90","","93.415","0.002","90","","3076.09","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H64 B2 F8 N14 Ni2 O10 -","- C56 H64 B2 F8 N14 Ni2 O10 -","- C112 H128 B4 F16 N28 Ni4 O20 -","2","0.5","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.0585","0.0452","","","0.1025","0.109","","","","","","1.05","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501107","11.9528","0.0003","12.8507","0.0002","18.566","0.0004","90","","100.913","0.002","90","","2800.2","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl Mn N7 O8 -","- C27 H27 Cl Mn N7 O8 -","- C108 H108 Cl4 Mn4 N28 O32 -","4","1","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","1.54178","CuKα","","0.0673","0.0467","","","0.1299","0.1499","","","","","","0.985","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501108","11.9008","0.0007","12.8446","0.0005","18.4671","0.0009","90","","101.537","0.005","90","","2765.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 B F4 Mn N7 O4 -","- C27 H25 B F4 Mn N7 O4 -","- C108 H100 B4 F16 Mn4 N28 O16 -","4","1","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.1434","0.0623","","","0.1164","0.1331","","","","","","0.918","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501109","11.9593","0.0003","13.0459","0.0002","18.4832","0.0003","90","","100.952","0.002","90","","2831.22","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cd Cl N7 O8 -","- C27 H28 Cd Cl N7 O8 -","- C108 H112 Cd4 Cl4 N28 O32 -","4","1","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","1.54178","CuKα","","0.0636","0.0478","","","0.1087","0.1176","","","","","","1.095","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501110","11.8611","0.0005","13.0368","0.0003","18.4127","0.0005","90","","101.432","0.004","90","","2790.68","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 B Cd F4 N7 O4 -","- C27 H25 B Cd F4 N7 O4 -","- C108 H100 B4 Cd4 F16 N28 O16 -","4","1","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","1.54178","CuKα","","0.0786","0.0495","","","0.1188","0.1365","","","","","","0.969","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501111","6.4339","0.0005","27.667","0.003","9.9155","0.001","90","","90.12","0.007","90","","1765","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Ca N2 O10 -","- C14 H22 Ca N2 O10 -","- C56 H88 Ca4 N8 O40 -","4","1","","Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.","Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate","Crystal Growth & Design","2011","11","8","3653","","10.1021/cg2007028","","","0.71073","MoKα","","0.0432","0.0288","","","0.0588","0.0609","","","","","","0.976","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501112","17.442","0.002","10.201","0.0014","9.7027","0.0011","90","","102.073","0.009","90","","1688.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Mn N2 O9 -","- C14 H20 Mn N2 O9 -","- C56 H80 Mn4 N8 O36 -","4","1","","Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.","Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate","Crystal Growth & Design","2011","11","8","3653","","10.1021/cg2007028","","","0.71073","MoKα","","0.1809","0.0597","","","0.0869","0.1256","","","","","","0.95","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501113","11.082","0.0013","5.1509","0.0004","17.908","0.002","90","","109.81","0.009","90","","961.74","0.18","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Co N2 O12 -","- C14 H26 Co N2 O12 -","- C28 H52 Co2 N4 O24 -","2","0.5","","Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.","Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate","Crystal Growth & Design","2011","11","8","3653","","10.1021/cg2007028","","","0.71073","MoKα","","0.0243","0.0227","","","0.0663","0.0671","","","","","","1","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501114","9.6718","0.0012","9.9337","0.0012","12.0896","0.0016","78.799","0.01","68.774","0.009","73.441","0.01","1032.4","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 N2 O13 Zn -","- C14 H28 N2 O13 Zn -","- C28 H56 N4 O26 Zn2 -","2","1","","Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.","Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate","Crystal Growth & Design","2011","11","8","3653","","10.1021/cg2007028","","","0.71073","MoKα","","0.0436","0.0274","","","0.0597","0.0625","","","","","","0.987","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501115","7.7321","0.0009","16.199","0.0019","19.558","0.003","90","","101.095","0.012","90","","2403.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O8 -","- C27 H26 O8 -","- C108 H104 O32 -","4","1","","Sanphui, Palash; Goud, N. Rajesh; Khandavilli, U. B. Rao; Nangia, Ashwini","Fast Dissolving Curcumin Cocrystals","Crystal Growth & Design","2011","11","9","4135","","10.1021/cg200704s","","","0.71073","MoKα","","0.1308","0.0687","","","0.1801","0.2029","","","","","","0.983","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501116","7.3706","0.0006","15.8001","0.001","19.8972","0.0014","90","","92.933","0.007","90","","2314.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O9 -","- C27 H26 O9 -","- C108 H104 O36 -","4","1","","Sanphui, Palash; Goud, N. Rajesh; Khandavilli, U. B. Rao; Nangia, Ashwini","Fast Dissolving Curcumin Cocrystals","Crystal Growth & Design","2011","11","9","4135","","10.1021/cg200704s","","","0.71073","MoKα","","0.167","0.0923","","","0.2304","0.2867","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501117","20.6238","0.0006","16.4559","0.0003","21.8274","0.0006","90","","112.992","0.003","90","","6819.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H69 Cu2 N21 O19.5 S4 -","- C56 H64 Cu2 N21 O19.5 S4 -","- C224 H256 Cu8 N84 O78 S16 -","4","1","","Chen, Chun; Ma, Jian-Fang; Liu, Bo; Yang, Jin; Liu, Ying-Ying","Two Unusual 3D Copper(II) Coordination Polymers Constructed by p-Sulfonated Calixarenes and Bis(triazolyl) Ligands","Crystal Growth & Design","2011","11","10","4491","","10.1021/cg2007167","","","0.71073","MoKα","","0.076","0.0371","","","0.0781","0.0832","","","","","","0.823","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501118","13.6903","0.0012","13.2671","0.0012","37.029","0.003","90","","99.371","0.002","90","","6635.8","1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H123 Cu5 N30 O47.5 S8 -","- C96 H72 Cu5 N30 O47.5 S8 -","- C192 H144 Cu10 N60 O95 S16 -","2","0.5","","Chen, Chun; Ma, Jian-Fang; Liu, Bo; Yang, Jin; Liu, Ying-Ying","Two Unusual 3D Copper(II) Coordination Polymers Constructed by p-Sulfonated Calixarenes and Bis(triazolyl) Ligands","Crystal Growth & Design","2011","11","10","4491","","10.1021/cg2007167","","","0.71073","MoKα","","0.1228","0.0721","","","0.1694","0.193","","","","","","1.174","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501119","7.0917","0.0013","12.28","0.003","11.4693","0.0018","90","","90","","90","","998.8","0.3","296","2","293","2","1013.25","","","","","","","4","C m c 21","C 2c -2","36","1,4-diazabicyclo[2.2.2]octane dihydrobromide, dabco dihydrobromide, dabco2HBr","1,4-diazabicyclo[2.2.2]octane dihydrobromide","","- C6 H14 Br2 N2 -","- C6 H14 Br2 N2 -","- C24 H56 Br8 N8 -","4","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.186","0.1259","","","0.3407","0.3557","","","","","","1.175","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501120","14.3848","0.0018","12.4619","0.0012","11.3029","0.0011","90","","90","","90","","2026.2","0.4","296","2","296","2","","","","","","","","5","P b c 21","P 2c -2b","29","1,4-diazabicyclo[2.2.2]octane dihydrobromide semihydrate, dabco2HBr*0.5H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide semihydrate","","- C6 H15 Br2 N2 O0.5 -","- C6 H15 Br2 N2 O0.5 -","- C48 H120 Br16 N16 O4 -","8","2","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.0645","0.0355","","","0.0572","0.0595","","","","","","0.972","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501121","15.015","0.003","12.486","0.002","11.2364","0.0016","90","","90","","90","","2106.6","0.6","293","2","296","2","","","","","","","","5","P b c 21","P 2c -2b","29","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C48 H128 Br16 N16 O8 -","8","2","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.1705","0.1059","","","0.3029","0.3203","","","","","","0.99","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501122","7.185","0.003","12.382","0.006","11.119","0.003","90","","90","","90","","989.2","0.7","296","2","296","2","480000","","","","","","","5","C m c 21","C 2c -2","36","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C24 H64 Br8 N8 O4 -","4","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.0845","0.064","","","0.1349","0.1446","","","","","","1.102","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501123","6.516","0.004","12.037","0.003","6.792","0.003","90","","113.06","0.05","90","","490.2","0.4","296","2","296","2","780000","","","","","","","5","P 1 21 1","P 2yb","4","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C12 H32 Br4 N4 O2 -","2","1","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.049","0.0322","","","0.0577","0.0617","","","","","","1.009","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501124","7.2844","0.0019","10.918","0.004","5.663","0.004","90","","90","","90","","450.4","0.4","296","2","296","2","1500000","","","","","","","5","P m m n :2","-P 2ab 2a","59","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C12 H32 Br4 N4 O2 -","2","0.25","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.0608","0.0532","","","0.1308","0.1396","","","","","","1.175","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501125","14.707","0.011","11.252","0.008","16.704","0.009","90","","117.08","0.05","90","","2461","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cu2 N2 O9 -","- C26 H16 Cu2 N2 O8.999 -","- C104 H64 Cu8 N8 O35.996 -","4","0.5","","Tian, Hua; Wang, Kun; Jia, Qin-Xiang; Sun, Qian; Ma, Yu; Gao, En-Qing","Selective Incorporation of Auxiliary Organic Ligands in Metal‒Organic Frameworks Based on Twisted Π-Shaped Building Blocks","Crystal Growth & Design","2011","11","12","5167","","10.1021/cg200752v","","","0.71073","MoKα","","0.0441","0.0379","","","0.1137","0.1159","","","","","","1.236","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501126","14.8192","0.0005","11.0158","0.0004","16.5703","0.0007","90","","115.472","0.001","90","","2442.08","0.16","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu2 N2 O9 -","- C28 H16 Cu2 N2 O9 -","- C112 H64 Cu8 N8 O36 -","4","0.5","","Tian, Hua; Wang, Kun; Jia, Qin-Xiang; Sun, Qian; Ma, Yu; Gao, En-Qing","Selective Incorporation of Auxiliary Organic Ligands in Metal‒Organic Frameworks Based on Twisted Π-Shaped Building Blocks","Crystal Growth & Design","2011","11","12","5167","","10.1021/cg200752v","","","0.71073","MoKα","","0.0405","0.0368","","","0.103","0.1067","","","","","","1.178","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501127","14.7964","0.0006","11.0068","0.0005","16.5455","0.001","90","","115.37","0.001","90","","2434.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu2 N2 O9 -","- C28 H18 Cu2 N2 O9 -","- C112 H72 Cu8 N8 O36 -","4","0.5","","Tian, Hua; Wang, Kun; Jia, Qin-Xiang; Sun, Qian; Ma, Yu; Gao, En-Qing","Selective Incorporation of Auxiliary Organic Ligands in Metal‒Organic Frameworks Based on Twisted Π-Shaped Building Blocks","Crystal Growth & Design","2011","11","12","5167","","10.1021/cg200752v","","","0.71073","MoKα","","0.0795","0.0462","","","0.1182","0.1388","","","","","","1.034","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501128","14.5281","0.001","21.3432","0.0011","24.6908","0.0013","90","","118.168","0.003","90","","6749.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N2 Ni2 O12 S20 -","- C50 H64 N2 Ni2 O12 S20 -","- C200 H256 N8 Ni8 O48 S80 -","4","1","","Ye, Qiong; Akutagawa, Tomoyuki; Hoshino, Norihisa; Kikuchi, Takemitsu; Noro, Shin-ichiro; Xiong, Ren-Gen; Nakamura, Takayoshi","Polymorphs and Structural Phase Transition of [Ni(dmit)2]−Crystals Induced by Flexible (trans-Cyclohexane-1,4-diammonium)(Benzo[18]crown-6)2Supramolecule","Crystal Growth & Design","2011","11","9","4175","","10.1021/cg2007556","","","0.71075","MoKα","","0.25","0.0832","","","0.1463","0.2075","","","","","","0.888","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501129","10.6","0.0008","12.8561","0.0011","12.9623","0.0011","82.258","0.003","79.614","0.003","89.305","0.003","1721.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 N Ni O6 S10 -","- C25 H32 N Ni O6 S10 -","- C50 H64 N2 Ni2 O12 S20 -","2","1","","Ye, Qiong; Akutagawa, Tomoyuki; Hoshino, Norihisa; Kikuchi, Takemitsu; Noro, Shin-ichiro; Xiong, Ren-Gen; Nakamura, Takayoshi","Polymorphs and Structural Phase Transition of [Ni(dmit)2]−Crystals Induced by Flexible (trans-Cyclohexane-1,4-diammonium)(Benzo[18]crown-6)2Supramolecule","Crystal Growth & Design","2011","11","9","4175","","10.1021/cg2007556","","","0.71075","MoKα","","","0.0403","","","","0.0616","","","","","","1.163","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501130","11.6603","0.0012","13.1917","0.0011","13.4851","0.0012","108.129","0.002","108.401","0.003","103.634","0.003","1737.5","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 N Ni O6 S10 -","- C25 H28 N Ni O6 S10 -","- C50 H56 N2 Ni2 O12 S20 -","2","1","","Ye, Qiong; Akutagawa, Tomoyuki; Hoshino, Norihisa; Kikuchi, Takemitsu; Noro, Shin-ichiro; Xiong, Ren-Gen; Nakamura, Takayoshi","Polymorphs and Structural Phase Transition of [Ni(dmit)2]−Crystals Induced by Flexible (trans-Cyclohexane-1,4-diammonium)(Benzo[18]crown-6)2Supramolecule","Crystal Growth & Design","2011","11","9","4175","","10.1021/cg2007556","","","0.71075","MoKα","","","0.0409","","","","0.1317","","","","","","1.083","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501131","11.5343","0.0008","13.4589","0.0008","23.1051","0.0011","95.3729","0.0017","91.0352","0.0019","108.93","0.0019","3373.4","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 N2 Ni2 O12 S20 -","- C50 H64 N2 Ni2 O12 S20 -","- C100 H128 N4 Ni4 O24 S40 -","2","1","","Ye, Qiong; Akutagawa, Tomoyuki; Hoshino, Norihisa; Kikuchi, Takemitsu; Noro, Shin-ichiro; Xiong, Ren-Gen; Nakamura, Takayoshi","Polymorphs and Structural Phase Transition of [Ni(dmit)2]−Crystals Induced by Flexible (trans-Cyclohexane-1,4-diammonium)(Benzo[18]crown-6)2Supramolecule","Crystal Growth & Design","2011","11","9","4175","","10.1021/cg2007556","","","0.71075","MoKα","","","0.0398","","","","0.0967","","","","","","1.029","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501132","14.7264","0.0006","14.7264","0.0006","14.7264","0.0006","90","","90","","90","","3193.7","0.2","200","2","200","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- K17.7 Si136 -","- K17.776 Si136 -","- K17.776 Si136 -","1","0.00520833","","Stefanoski, Stevce; Nolas, George S.","Synthesis and Structural Characterization of Single-Crystal K7.5Si46and K17.8Si136Clathrates","Crystal Growth & Design","2011","11","10","4533","","10.1021/cg200756r","","","0.71073","MoKα","","0.0294","0.022","","","0.0547","0.0563","","","","","","1.007","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501133","10.2639","0.0003","10.2639","0.0003","10.2639","0.0003","90","","90","","90","","1081.28","0.05","200","2","200","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- K7.46 Si46 -","- K7.464 Si46 -","- K7.464 Si46 -","1","0.0208333","","Stefanoski, Stevce; Nolas, George S.","Synthesis and Structural Characterization of Single-Crystal K7.5Si46and K17.8Si136Clathrates","Crystal Growth & Design","2011","11","10","4533","","10.1021/cg200756r","","","0.71073","MoKα","","0.0131","0.0129","","","0.0337","0.0338","","","","","","1.183","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501134","4.358","0.005","29.45","0.03","6.076","0.005","90","","110.62","0.08","90","","729.9","1.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Tomàs, Salvador; Fujii, Kotaro; Harris, Kenneth D. M.; Alcobé, Xavier; Font-Bardia, Mercè; Barbas, Rafael","Cooperativity in Solid-State Squaramides","Crystal Growth & Design","2011","11","9","3725","","10.1021/cg200772e","","","0.71073","MoKα","","0.093","0.0699","","","0.2093","0.2223","","","","","","1.17","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501135","6.03426","0.00025","10.9211","0.0005","11.9179","0.0006","93.0202","0.0026","103.176","0.0026","92.4776","0.0034","762.43","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N2 O -","- C8 H7 N2 O -","- C32 H28 N8 O4 -","4","2","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Tomàs, Salvador; Fujii, Kotaro; Harris, Kenneth D. M.; Alcobé, Xavier; Font-Bardia, Mercè; Barbas, Rafael","Cooperativity in Solid-State Squaramides","Crystal Growth & Design","2011","11","9","3725","","10.1021/cg200772e","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.12563","","2.3","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501136","7.057","0.003","14.776","0.006","15.408","0.006","66.479","0.012","81.914","0.014","80.739","0.014","1448.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_100K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0444","0.0384","","","0.0859","0.0978","","","","","","1.092","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501137","7.086","0.003","14.79","0.006","15.432","0.006","66.489","0.008","81.896","0.013","80.674","0.014","1458.2","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_150K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0482","0.0404","","","0.0919","0.105","","","","","","1.09","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501138","7.123","0.004","14.809","0.007","15.437","0.007","66.514","0.017","81.938","0.019","80.525","0.018","1468.1","1.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_200K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0538","0.0424","","","0.0929","0.1081","","","","","","1.086","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501139","7.168","0.003","14.836","0.007","15.473","0.008","66.562","0.01","81.888","0.016","80.459","0.017","1483.7","1.2","250","2","250","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_250K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0621","0.0467","","","0.106","0.1201","","","","","","1.092","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501140","7.233","0.005","14.89","0.008","15.528","0.008","66.55","0.02","81.9","0.02","80.25","0.02","1507.1","1.5","300","2","300","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_300K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0755","0.0524","","","0.1127","0.1349","","","","","","1.085","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501141","3.801","0.0006","12.7973","0.0017","14.816","0.003","90","","96.902","0.007","90","","715.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3,4-Trichlorophenol","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C24 H12 Cl12 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0363","0.0326","","","0.0842","0.1027","","","","","","1.159","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501142","32.389","0.003","32.389","0.003","3.8113","0.0006","90","","90","","120","","3462.6","0.7","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","2,3,4-trichlorophenol: MeOH","","","- C7 H3 Cl3 O1.33333 -","- C7 H3 Cl3 O1.33333 -","- C126 H54 Cl54 O24 -","18","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0507","0.0453","","","0.1173","0.1275","","","","","","1.162","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4501143","13.483","0.0014","12.2021","0.0012","16.7125","0.0017","90","","90","","90","","2749.6","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-chlorophenol: 3,4,5-trichlorophenol","","","- C24 H14 Cl10 O4 -","- C24 H14 Cl10 O4 -","- C96 H56 Cl40 O16 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0395","0.0382","","","0.1121","0.113","","","","","","1.18","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501144","7.53","0.0009","14.203","0.0017","14.574","0.0017","81.459","0.006","80.154","0.006","78.092","0.006","1492.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","2,3,4-trichlorophenol: 3,4,5-trichlorophenol","","","- C12 H6 Cl6 O2 -","- C12 H6 Cl6 O2 -","- C48 H24 Cl24 O8 -","4","2","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0767","0.0566","","","0.1278","0.1376","","","","","","1.061","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501145","13.005","0.002","16.031","0.003","8.1275","0.0014","90","","98.51","0.002","90","","1675.8","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl4 O6 Pb -","- C10 H8 Cl4 O6 Pb -","- C40 H32 Cl16 O24 Pb4 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Zhou, Yong-Sheng; Zhou, Wei-You; Li, Yi-Zhi; He, Ming-Yang; Chen, Qun; Du, Miao","Alkali-Metal-Templated Assemblies of New 3D Lead(II) Tetrachloroterephthalate Coordination Frameworks","Crystal Growth & Design","2011","11","9","4190","","10.1021/cg200785g","","","0.71073","MoKα","","0.0264","0.0226","","","0.0489","0.0501","","","","","","1.037","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501146","15.936","0.0014","12.7172","0.0019","8.2753","0.0013","90","","91.752","0.002","90","","1676.3","0.4","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Cl4 Li2 O7 Pb -","- C8 H4 Cl4 Li2 O7 Pb -","- C32 H16 Cl16 Li8 O28 Pb4 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Zhou, Yong-Sheng; Zhou, Wei-You; Li, Yi-Zhi; He, Ming-Yang; Chen, Qun; Du, Miao","Alkali-Metal-Templated Assemblies of New 3D Lead(II) Tetrachloroterephthalate Coordination Frameworks","Crystal Growth & Design","2011","11","9","4190","","10.1021/cg200785g","","","0.71073","MoKα","","0.0457","0.0372","","","0.0702","0.0722","","","","","","1.058","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501147","15.898","0.002","12.678","0.003","8.264","0.003","90","","90.136","0.003","90","","1665.6","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H2 Cl4 Na2 O6 Pb -","- C8 H2 Cl4 Na2 O6 Pb -","- C32 H8 Cl16 Na8 O24 Pb4 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Zhou, Yong-Sheng; Zhou, Wei-You; Li, Yi-Zhi; He, Ming-Yang; Chen, Qun; Du, Miao","Alkali-Metal-Templated Assemblies of New 3D Lead(II) Tetrachloroterephthalate Coordination Frameworks","Crystal Growth & Design","2011","11","9","4190","","10.1021/cg200785g","","","0.71073","MoKα","","0.0402","0.0309","","","0.0548","0.0562","","","","","","0.943","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501148","10.4348","0.0007","19.3313","0.0012","18.8959","0.0014","90","","105.998","0.001","90","","3664","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl8 N3 O11 Pb2 -","- C25 H21 Cl8 N3 O11 Pb2 -","- C100 H84 Cl32 N12 O44 Pb8 -","4","1","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Zhou, Yong-Sheng; Zhou, Wei-You; Li, Yi-Zhi; He, Ming-Yang; Chen, Qun; Du, Miao","Alkali-Metal-Templated Assemblies of New 3D Lead(II) Tetrachloroterephthalate Coordination Frameworks","Crystal Growth & Design","2011","11","9","4190","","10.1021/cg200785g","","","0.71073","MoKα","","0.0679","0.0358","","","0.0712","0.0804","","","","","","1.018","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501149","8.0111","0.0006","30.61","0.003","18.4518","0.0018","90","","97.264","0.004","90","","4488.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H20 N4 O0.5 -","- C32.5 H20 N4 O0.5 -","- C260 H160 N32 O4 -","8","2","","Roy, Xavier; Chong, Jonathan H.; Patrick, Brian O.; MacLachlan, Mark J.","Molecular Scaffolding of Prussian Blue Analogues Using a Phenanthroline-Extended Triptycene Ligand","Crystal Growth & Design","2011","11","10","4551","","10.1021/cg200788f","","","0.71073","MoKα","","0.1438","0.0531","","","0.0915","0.1182","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501150","88.779","0.012","8.234","0.0011","27.418","0.004","90","","102.617","0.001","90","","19559","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H72 Cl4 Cu4 N16 O -","- C128 H72 Cl4 Cu4 N16 O0.5 -","- C1024 H576 Cl32 Cu32 N128 O4 -","8","1","","Roy, Xavier; Chong, Jonathan H.; Patrick, Brian O.; MacLachlan, Mark J.","Molecular Scaffolding of Prussian Blue Analogues Using a Phenanthroline-Extended Triptycene Ligand","Crystal Growth & Design","2011","11","10","4551","","10.1021/cg200788f","","","0.7749","","","0.0902","0.0526","","","0.1192","0.139","","","","","","0.994","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501151","15.5766","0.0014","27.39","0.003","13.5697","0.0012","90","","96.227","0.003","90","","5755.3","1","90","0.1","90","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69.5 H49 Cu2.5 N9.5 O1.5 -","- C69.526 H48.104 Cu2.5 N10.5 O3.526 -","- C278.104 H192.416 Cu10 N42 O14.104 -","4","1","","Roy, Xavier; Chong, Jonathan H.; Patrick, Brian O.; MacLachlan, Mark J.","Molecular Scaffolding of Prussian Blue Analogues Using a Phenanthroline-Extended Triptycene Ligand","Crystal Growth & Design","2011","11","10","4551","","10.1021/cg200788f","","","1.54178","CuKα","","0.0816","0.0733","","","0.1944","0.2011","","","","","","1.126","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501152","8.392","0.004","12.451","0.006","29.364","0.014","90","","93.075","0.009","90","","3064","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Cu4 Mo6 N16 O22 -","- C40 H56 Cu4 Mo6 N16 O22 -","- C80 H112 Cu8 Mo12 N32 O44 -","2","0.5","","Xie, Yi-Ming; Yu, Rong-Ming; Wu, Xiao-Yuan; Wang, Fei; Zhang, Jian; Lu, Can-Zhong","Synthesis, Structure, and Magnetic Properties of a Novel Polyoxometalate‒Organic Framework with Unusual (5,6)-Connected Topology","Crystal Growth & Design","2011","11","11","4739","","10.1021/cg200791k","","","0.71073","MoKα","","0.0983","0.0758","","","0.1885","0.2078","","","","","","1.04","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501153","5.1842","0.0005","8.5087","0.0009","19.5787","0.0019","89.508","0.006","85.077","0.007","80.522","0.006","848.69","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 N4 O10 Zn -","- C36 H38 N4 O10 Zn -","- C36 H38 N4 O10 Zn -","1","0.5","","Hogan, Greg A.; Rath, Nigam P.; Beatty, Alicia M.","A Stable Hydrogen-Bonded Coordination Network with Removable Guests","Crystal Growth & Design","2011","11","9","3740","","10.1021/cg200793f","","","0.71073","MoKα","","0.051","0.0407","","","0.0981","0.1039","","","","","","1.031","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501154","5.2035","0.0002","8.3292","0.0003","19.7543","0.0007","90.091","0.001","94.646","0.001","100.087","0.001","840.06","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N5 O12 Zn -","- C34 H33 N5 O12 Zn -","- C34 H33 N5 O12 Zn -","1","0.5","","Hogan, Greg A.; Rath, Nigam P.; Beatty, Alicia M.","A Stable Hydrogen-Bonded Coordination Network with Removable Guests","Crystal Growth & Design","2011","11","9","3740","","10.1021/cg200793f","","","0.71073","MoKα","","0.0393","0.0362","","","0.0939","0.0962","","","","","","1.05","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501155","5.2571","0.0008","8.2727","0.0013","19.632","0.004","91.072","0.009","96.028","0.009","99.886","0.008","835.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N4 O11 Zn -","- C34 H42 N4 O11 Zn -","- C34 H42 N4 O11 Zn -","1","0.5","","Hogan, Greg A.; Rath, Nigam P.; Beatty, Alicia M.","A Stable Hydrogen-Bonded Coordination Network with Removable Guests","Crystal Growth & Design","2011","11","9","3740","","10.1021/cg200793f","","","0.71073","MoKα","","0.1002","0.0834","","","0.2107","0.2266","","","","","","1.016","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501156","5.175","0.0009","8.3571","0.0013","19.712","0.004","90.174","0.007","95.13","0.007","100.135","0.007","835.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N4 O11 Zn -","- C31 H34 N4 O11 Zn -","- C31 H34 N4 O11 Zn -","1","0.5","","Hogan, Greg A.; Rath, Nigam P.; Beatty, Alicia M.","A Stable Hydrogen-Bonded Coordination Network with Removable Guests","Crystal Growth & Design","2011","11","9","3740","","10.1021/cg200793f","","","0.71073","MoKα","","0.0828","0.0733","","","0.1957","0.206","","","","","","1.042","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501157","11.402","0.005","13.866","0.005","21.902","0.009","75.871","0.013","77.874","0.012","72.202","0.012","3163","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H98 Cd6 N12 O35 -","- C132 H98 Cd6 N12 O35 -","- C132 H98 Cd6 N12 O35 -","1","0.5","","Li, Lina; Luo, Junhua; Wang, Shuyun; Sun, Zhihua; Chen, Tianliang; Hong, Maochun","A Unique Independent One-Dimensional Green Luminescent Coordination Polymer Nanotube Based on an Unsymmetric Tricarboxylate Linker","Crystal Growth & Design","2011","11","9","3744","","10.1021/cg200796h","","","0.71073","MoKα","","0.1132","0.0701","","","0.1645","0.1965","","","","","","1.044","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501158","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Seber, Gonca; Halder, Gregory J.; Schlueter, John A.; Lahti, Paul M.","Pressure Effects on the Quasi-1-D Molecular Ferromagnet 2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","Crystal Growth & Design","2011","11","10","4261","","10.1021/cg200802c","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501159","30.767","0.006","27.684","0.006","11.233","0.002","90","","90.06","0.03","90","","9568","3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium) chloride tetrafluoroborate","","- C42 H66 B Cl F4 I2 N6 -","- C42 H66 B Cl F4 I2 N6 -","- C336 H528 B8 Cl8 F32 I16 N48 -","8","2","","Kilah, Nathan L.; Wise, Matthew D.; Beer, Paul D.","Crystallographic Implications for the Design of Halogen Bonding Anion Receptors","Crystal Growth & Design","2011","11","10","4565","","10.1021/cg200811a","","","0.71073","MoKα","","0.0763","0.0587","","0.0767","0.0699","0.0766","","","","","","0.9543","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501160","12.8238","0.0002","14.1646","0.0002","17.0277","0.0003","90.7462","0.0006","108.134","0.0007","114.279","0.0008","2643.64","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","Bis(4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium) iodide triiodide","","- C42 H66 I6 N6 -","- C42 H66 I6 N6 -","- C84 H132 I12 N12 -","2","1","","Kilah, Nathan L.; Wise, Matthew D.; Beer, Paul D.","Crystallographic Implications for the Design of Halogen Bonding Anion Receptors","Crystal Growth & Design","2011","11","10","4565","","10.1021/cg200811a","","","0.71073","MoKα","","0.0723","0.0458","","0.0902","0.0716","0.0902","","","","","","0.9881","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501161","15.3999","0.0008","16.441","0.0009","23.9879","0.0015","95.308","0.003","99.302","0.003","107.478","0.004","5652.4","0.6","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C114.94 H130 Br Cl3.98 D7.14 I N6 O13.29 -","- C114.94 H130 Br Cl3.975 D7.135 I N6 O13.29 -","- C229.88 H260 Br2 Cl7.95 D14.27 I2 N12 O26.58 -","2","1","","Kilah, Nathan L.; Wise, Matthew D.; Beer, Paul D.","Crystallographic Implications for the Design of Halogen Bonding Anion Receptors","Crystal Growth & Design","2011","11","10","4565","","10.1021/cg200811a","","","0.71073","MoKα","","0.1551","0.1143","","0.2955","0.2602","0.2954","","","","","","0.9557","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501162","36.64","0.02","19.01","0.012","22.836","0.014","90","","95.386","0.012","90","","15836","16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 N6 O17 Pr -","- C54 H52 N6 O17 Pr -","- C432 H416 N48 O136 Pr8 -","8","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.3065","0.0816","","","0.1777","0.2298","","","","","","0.705","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501163","36.7013","0.0013","19.0487","0.0006","22.8374","0.0007","90","","95.746","0.003","90","","15885.7","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H55 N6 Nd O18.5 -","- C54 H55 N6 Nd O18.5 -","- C432 H440 N48 Nd8 O148 -","8","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.1814","0.0563","","","0.1131","0.1501","","","","","","0.804","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501164","12.3793","0.0013","20.387","0.002","20.86","0.002","90","","99.227","0.001","90","","5196.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 N6 O15 Sm -","- C54 H48 N6 O15 Sm -","- C216 H192 N24 O60 Sm4 -","4","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.0912","0.0471","","","0.0841","0.098","","","","","","1.042","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501165","12.3915","0.0009","20.3621","0.0015","20.8378","0.0015","90","","99.494","0.004","90","","5185.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N6 O15 Tb -","- C54 H46 N6 O15 Tb -","- C216 H184 N24 O60 Tb4 -","4","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.095","0.0463","","","0.1067","0.1284","","","","","","0.987","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501166","12.409","0.003","20.477","0.006","20.847","0.006","90","","99.813","0.003","90","","5220","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H45.5 Er N6 O15 -","- C54 H45.5 Er N6 O15 -","- C216 H182 Er4 N24 O60 -","4","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.1158","0.0561","","","0.1064","0.1333","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501167","25.8402","0.0013","11.6244","0.0006","18.1993","0.0016","90","","133.514","0.001","90","","3964.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 N10 O11 Zn -","- C36 H36 N10 O11.02 Zn -","- C144 H144 N40 O44.08 Zn4 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.037","0.0334","","","0.0978","0.101","","","","","","1.086","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501168","11.948","0.002","9.1229","0.0016","21.96","0.004","90","","93.121","0.003","90","","2390.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Co N4 O7 -","- C24 H28 Co N4 O7 -","- C96 H112 Co4 N16 O28 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.045","0.0329","","","0.0758","0.0815","","","","","","1.037","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501169","20.1433","0.0018","18.5739","0.0016","18.3522","0.0016","90","","100.51","0.001","90","","6751.1","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H74 N11 O15.5 Zn2 -","- C65 H73 N11 O15.5 Zn2 -","- C260 H292 N44 O62 Zn8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.0537","0.0413","","","0.1047","0.1141","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501170","10.697","0.012","11.057","0.012","11.274","0.012","107.706","0.018","91.898","0.019","112.709","0.017","1154","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Cu2 N8 O13 S2 -","- C40 H44 Cu2 N8 O13 S2 -","- C40 H44 Cu2 N8 O13 S2 -","1","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.1513","0.0775","","","0.2027","0.2375","","","","","","1.008","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501171","24.1627","0.0009","10.0093","0.0004","18.2995","0.0007","90","","119.895","0.001","90","","3836.9","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cl2 Co N4 O -","- C18 H18 Cl2 Co N4 O -","- C144 H144 Cl16 Co8 N32 O8 -","8","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.0334","0.0265","","","0.0661","0.0707","","","","","","1.045","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501172","9.8741","0.0014","25.089","0.004","17.889","0.003","90","","90.582","0.003","90","","4431.4","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Co0.5 N3 O4.5 -","- C18 H21 Co0.5 N3 O4.5 -","- C144 H168 Co4 N24 O36 -","8","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.1072","0.0814","","","0.2564","0.2795","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501173","10.0385","0.0007","12.6413","0.0009","19.0514","0.0013","90","","100.067","0.001","90","","2380.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N6 O8 Zn -","- C20 H22 N6 O8 Zn -","- C80 H88 N24 O32 Zn4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.0434","0.0314","","","0.0737","0.0799","","","","","","1.021","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501174","6.7486","0.0017","7.1572","0.0018","8.687","0.002","69.818","0.003","80.019","0.003","85.524","0.003","387.79","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 N2 O10 Te2 V2 -","- C6 H16 N2 O10 Te2 V2 -","- C6 H16 N2 O10 Te2 V2 -","1","0.5","","Smith, Matthew D.; Blau, Samuel M.; Chang, Kelvin B.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Beyond Charge Density Matching: The Role of C‒H···O Interactions in the Formation of Templated Vanadium Tellurites","Crystal Growth & Design","2011","11","9","4213","","10.1021/cg2008232","","","0.71073","MoKα","","0.0229","0.0202","","0.0455","0.0441","0.0429","","","","","","1.0047","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501175","19.356","0.003","7.0591","0.0012","13.582","0.002","90","","125.485","0.0017","90","","1511.1","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H14 N2 O10 Te2 V2 -","- C5 H14 N2 O10 Te2 V2 -","- C20 H56 N8 O40 Te8 V8 -","4","0.5","","Smith, Matthew D.; Blau, Samuel M.; Chang, Kelvin B.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Beyond Charge Density Matching: The Role of C‒H···O Interactions in the Formation of Templated Vanadium Tellurites","Crystal Growth & Design","2011","11","9","4213","","10.1021/cg2008232","","","0.71073","MoKα","","0.0171","0.0165","","0.0416","0.0412","0.0407","","","","","","1.0927","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501176","5.606","0.0004","20.251","0.007","8.274","0.0006","90","","108.522","0.011","90","","890.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 O6 P2 Pr -","- C6 H5 O6 P2 Pr -","- C24 H20 O24 P8 Pr4 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","","","0.71073","MoKα","","0.112","0.0541","","","0.1222","0.1507","","","","","","1.053","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501177","5.6184","0.0004","20.1488","0.0012","8.3824","0.0005","90","","108.674","0.003","90","","898.97","0.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 La O6 P2 -","- C6 H4 La O6 P2 -","- C24 H16 La4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","2.6197","32.2","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501178","5.5897","0.0009","20.073","0.003","8.3249","0.0013","90","","108.573","0.007","90","","885.4","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Ce O6 P2 -","- C6 H4 Ce O6 P2 -","- C24 H16 Ce4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","4.4052","59.6","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501179","5.5746","0.0006","20.056","0.002","8.2868","0.0008","90","","108.588","0.004","90","","878.17","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 O6 P2 Pr -","- C6 H4 O6 P2 Pr -","- C24 H16 O24 P8 Pr4 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","3.4835","35.8","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501180","5.5549","0.0011","20.05","0.004","8.2437","0.0015","90","","108.496","0.008","90","","870.7","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Nd O6 P2 -","- C6 H4 Nd O6 P2 -","- C24 H16 Nd4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","4.9142","47.1","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501181","5.5196","0.0009","19.973","0.003","8.1794","0.0013","90","","108.469","0.007","90","","855.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 O6 P2 Sm -","- C6 H4 O6 P2 Sm -","- C24 H16 O24 P8 Sm4 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","3.9245","32.9","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501182","5.4997","0.0007","19.955","0.003","8.1579","0.001","90","","108.353","0.005","90","","849.8","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Eu O6 P2 -","- C6 H4 Eu O6 P2 -","- C24 H16 Eu4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","3.1271","27.5","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501183","5.4805","0.0012","19.943","0.004","8.1317","0.0015","90","","108.367","0.008","90","","843.5","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Gd O6 P2 -","- C6 H4 Gd O6 P2 -","- C24 H16 Gd4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","6.0287","41.6","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501184","5.4735","0.0007","19.894","0.002","8.1157","0.001","90","","108.323","0.005","90","","838.91","0.17","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 O6 P2 Tb -","- C6 H4 O6 P2 Tb -","- C24 H16 O24 P8 Tb4 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","4.5607","50.8","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501185","5.4462","0.0009","19.869","0.003","8.0864","0.0011","90","","108.237","0.006","90","","831.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Dy O6 P2 -","- C6 H4 Dy O6 P2 -","- C24 H16 Dy4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","6.695","125","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501186","5.4309","0.0005","19.8439","0.0015","8.0629","0.0006","90","","108.208","0.003","90","","825.43","0.12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Ho O6 P2 -","- C6 H4 Ho O6 P2 -","- C24 H16 Ho4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","8.1375","264","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501187","12.098","0.002","16.807","0.003","34.29","0.007","90","","90","","90","","6972","2","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C64 H28 Br F6 I4 S8 -","- C64 H28 Br F6 I4 S8 -","- C256 H112 Br4 F24 I16 S32 -","4","0.25","","Lieffrig, Julien; Yamamoto, Hiroshi M.; Kusamoto, Tetsuro; Cui, Henbo; Jeannin, Olivier; Fourmigué, Marc; Kato, Reizo","Halogen-Bonded, Eight-fold PtS-Type Interpenetrated Supramolecular Network. A Study toward Redundant and Cross-Bar Supramolecular Nanowire Crystal","Crystal Growth & Design","2011","11","10","4267","","10.1021/cg200843w","","","0.71073","MoKα","","0.1289","0.075","","","0.1899","0.2163","","","","","","1.126","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501188","11.81","0.002","16.572","0.003","33.961","0.007","90","","90","","90","","6647","2","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C64 H28 Cl F6 I4 S8 -","- C64 H28 Cl F6 I4 S8 -","- C256 H112 Cl4 F24 I16 S32 -","4","0.25","","Lieffrig, Julien; Yamamoto, Hiroshi M.; Kusamoto, Tetsuro; Cui, Henbo; Jeannin, Olivier; Fourmigué, Marc; Kato, Reizo","Halogen-Bonded, Eight-fold PtS-Type Interpenetrated Supramolecular Network. A Study toward Redundant and Cross-Bar Supramolecular Nanowire Crystal","Crystal Growth & Design","2011","11","10","4267","","10.1021/cg200843w","","","0.71073","MoKα","","0.1846","0.0787","","","0.2064","0.2674","","","","","","0.893","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501189","11.038","0.01","9.067","0.008","11.392","0.01","90","","101.86","0.014","90","","1115.8","1.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.71073","MoKα","","0.0648","0.0598","","","0.1827","0.185","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501190","14.2565","0.0016","10.7542","0.0015","14.769","0.003","90","","90","","90","","2264.3","0.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.7107","MoKα","","0.1081","0.0497","","","0.1026","0.1144","","","","","","0.872","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501191","9.0787","0.0011","14.2261","0.0017","17.154","0.002","90","","90","","90","","2215.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.71073","MoKα","","0.0546","0.0521","","","0.1475","0.1488","","","","","","1.185","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501192","9.25","0.004","14.207","0.004","17.509","0.01","90","","90","","90","","2300.9","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.7107","MoKα","","0.1578","0.0646","","","0.135","0.1537","","","","","","0.929","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501193","6.8022","0.0008","10.412","0.0012","23.206","0.003","90","","90","","90","","1643.6","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.71073","MoKα","","0.0442","0.042","","","0.0928","0.094","","","","","","1.162","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501194","7.8","0.0008","13.0415","0.0016","14.0098","0.0015","64.87","0.011","86.132","0.009","85.992","0.009","1286","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N4 O10 -","- C27 H22 N4 O10 -","- C54 H44 N8 O20 -","2","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.7107","MoKα","","0.0616","0.0399","","","0.1033","0.1099","","","","","","1.039","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501195","18.704","0.002","11.6908","0.0013","9.4873","0.001","90","","90","","90","","2074.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Mn N2 O4 -","- C24 H18 Mn N2 O4 -","- C96 H72 Mn4 N8 O16 -","4","0.5","","Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework","Crystal Growth & Design","2011","11","12","5305","","10.1021/cg2008649","","","0.71073","MoKα","","0.0784","0.0521","","","0.1875","0.2034","","","","","","1.19","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501196","11.1137","0.0008","22.3436","0.0017","19.1449","0.0015","90","","96.888","0.001","90","","4719.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Mn2 N8 O16 -","- C48 H32 Mn2 N8 O16 -","- C192 H128 Mn8 N32 O64 -","4","1","","Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework","Crystal Growth & Design","2011","11","12","5305","","10.1021/cg2008649","","","0.71073","MoKα","","0.0755","0.0385","","","0.0801","0.0963","","","","","","1.019","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501197","20.088","0.013","11.676","0.007","9.961","0.006","90","","95.776","0.008","90","","2324","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Mn N4 O8 -","- C24 H16 Mn N4 O8 -","- C96 H64 Mn4 N16 O32 -","4","0.5","","Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework","Crystal Growth & Design","2011","11","12","5305","","10.1021/cg2008649","","","0.71073","MoKα","","0.1049","0.0698","","","0.1697","0.1924","","","","","","1.051","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501198","13.359","0.003","23.502","0.005","7.3675","0.0015","90","","97.269","0.002","90","","2294.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Mn N4 O8 -","- C24 H16 Mn N4 O8 -","- C96 H64 Mn4 N16 O32 -","4","0.5","","Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework","Crystal Growth & Design","2011","11","12","5305","","10.1021/cg2008649","","","0.71073","MoKα","","0.0495","0.0388","","","0.0971","0.1022","","","","","","1.094","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501199","9.7762","0.0008","9.8409","0.0008","10.3044","0.0009","92.625","0.001","114.899","0.001","110.628","0.001","819.26","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 O21 P4 U2 -","- C20 H24 O21 P4 U2 -","- C20 H24 O21 P4 U2 -","1","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.0297","0.0244","","","0.0527","0.0548","","","","","","1.03","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501200","10.089","0.003","11.712","0.004","11.803","0.004","111.964","0.004","107.146","0.004","105.977","0.004","1112.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 O27 P6 U3 -","- C22 H12 O27 P6 U3 -","- C22 H12 O27 P6 U3 -","1","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.0805","0.0583","","","0.1594","0.1761","","","","","","1.297","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501201","10.1004","0.0016","10.6811","0.0017","19.156","0.003","74.492","0.002","84.033","0.002","87.646","0.002","1980.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 F O26 P4 U2 -","- C22 H28 F O26 P4 U2 -","- C44 H56 F2 O52 P8 U4 -","2","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.1234","0.0552","","","0.0861","0.1063","","","","","","0.959","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501202","16.7893","0.0018","10.2105","0.0011","22.087","0.002","90","","92.012","0.001","90","","3784","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 F O25 P4 U2 -","- C24 H32 F O25 P4 U2 -","- C96 H128 F4 O100 P16 U8 -","4","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.0486","0.032","","","0.0635","0.0695","","","","","","1.049","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501203","10.2545","0.0016","19.608","0.003","20.52","0.003","90","","93.156","0.002","90","","4119.7","1.1","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 F K O26 P4 U2 -","- C24 H32 F K O26 P4 U2 -","- C96 H128 F4 K4 O104 P16 U8 -","4","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.0762","0.0396","","","0.075","0.0872","","","","","","0.996","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501204","3.8896","0.0019","9.384","0.005","14.852","0.007","101.784","0.007","95.457","0.007","90.22","0.007","528.1","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C30 H20 O4 -","2","1","","Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.","Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications","Crystal Growth & Design","2011","11","11","4975","","10.1021/cg200883b","","","0.71073","MoKα","","0.1109","0.0882","","","0.2265","0.2399","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501205","9.2885","0.0014","3.765","0.0006","30.373","0.005","90","","97.517","0.003","90","","1053.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Br0.05 F0.95 O2 -","- C15 H9 Br0.0505 F0.9495 O2 -","- C60 H36 Br0.202 F3.798 O8 -","4","1","","Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.","Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications","Crystal Growth & Design","2011","11","11","4975","","10.1021/cg200883b","","","0.71073","MoKα","","0.092","0.0703","","","0.191","0.2078","","","","","","1.083","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501206","8.5743","0.0003","8.2539","0.0003","16.4805","0.0006","90","","94.9243","0.0005","90","","1162.04","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","","Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.","Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications","Crystal Growth & Design","2011","11","11","4975","","10.1021/cg200883b","","","0.71073","MoKα","","0.0532","0.0467","","","0.1405","0.1497","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501207","7.1691","0.0005","13.5819","0.001","30.767","0.002","90","","90","","90","","2995.8","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.","Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications","Crystal Growth & Design","2011","11","11","4975","","10.1021/cg200883b","","","0.71073","MoKα","","0.0731","0.0518","","","0.1243","0.1383","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501208","12.2784","0.0003","9.0581","0.0003","23.5345","0.0006","90","","94.268","0.002","90","","2610.22","0.13","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 F8 I4 N2 S -","- C17 H12 F8 I4 N2 S -","- C68 H48 F32 I16 N8 S4 -","4","0.5","","Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Multinuclear Solid-State Magnetic Resonance and X-ray Diffraction Study of Some Thiocyanate and Selenocyanate Complexes Exhibiting Halogen Bonding","Crystal Growth & Design","2011","11","11","4984","","10.1021/cg200889y","","","0.71073","MoKα","","0.0394","0.0289","","","0.076","0.0826","","","","","","1.022","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501209","9.4954","0.0003","24.6517","0.0008","11.4085","0.0004","90","","103.24","0.001","90","","2599.49","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 F8 I4 N2 Se -","- C17 H12 F8 I4 N2 Se -","- C68 H48 F32 I16 N8 Se4 -","4","1","","Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Multinuclear Solid-State Magnetic Resonance and X-ray Diffraction Study of Some Thiocyanate and Selenocyanate Complexes Exhibiting Halogen Bonding","Crystal Growth & Design","2011","11","11","4984","","10.1021/cg200889y","","","0.71073","MoKα","","0.0379","0.0276","","","0.0621","0.0656","","","","","","1.018","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501210","8.7214","0.0007","11.0795","0.0009","13.4793","0.0011","93.753","0.004","90.429","0.004","97.315","0.004","1288.95","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 F8 I4 N2 Se -","- C17 H12 F8 I4 N2 Se -","- C34 H24 F16 I8 N4 Se2 -","2","1","","Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Multinuclear Solid-State Magnetic Resonance and X-ray Diffraction Study of Some Thiocyanate and Selenocyanate Complexes Exhibiting Halogen Bonding","Crystal Growth & Design","2011","11","11","4984","","10.1021/cg200889y","","","0.71073","MoKα","","0.0255","0.0228","","","0.0573","0.0588","","","","","","1.073","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501211","3.9041","0.0005","13.8156","0.0016","12.1585","0.0014","90","","90.521","0.002","90","","655.77","0.14","86","2","86","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(3-ClPy)2CuBr2","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","0.5","","Awwadi, Firas; Willett, Roger D.; Twamley, Brendan","Tuning Molecular Structures Using Weak Noncovalent Interactions: Theoretical Study and Structure oftrans-Bis(2-chloropyridine)dihalocopper(II) andtrans-Bis(3-chloropyridine)dibromocopper(II)","Crystal Growth & Design","2011","11","12","5316","","10.1021/cg200893n","","","0.71073","MoKα","","0.0478","0.0364","","","0.0783","0.0817","","","","","","1.03","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501212","8.4359","0.0012","8.4865","0.0009","10.5674","0.0014","76.876","0.011","70.044","0.011","70.532","0.01","664.95","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(2-ClPy)2CuCl2","","","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","- C20 H16 Cl8 Cu2 N4 -","2","1","","Awwadi, Firas; Willett, Roger D.; Twamley, Brendan","Tuning Molecular Structures Using Weak Noncovalent Interactions: Theoretical Study and Structure oftrans-Bis(2-chloropyridine)dihalocopper(II) andtrans-Bis(3-chloropyridine)dibromocopper(II)","Crystal Growth & Design","2011","11","12","5316","","10.1021/cg200893n","","","0.71073","MoKα","","0.051","0.0338","","","0.0765","0.0835","","","","","","1.058","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501213","8.4354","0.0013","8.8167","0.0013","11.402","0.003","70.088","0.016","74.565","0.015","62.103","0.012","698.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","(2-ClPy)2CuBr2","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","1","","Awwadi, Firas; Willett, Roger D.; Twamley, Brendan","Tuning Molecular Structures Using Weak Noncovalent Interactions: Theoretical Study and Structure oftrans-Bis(2-chloropyridine)dihalocopper(II) andtrans-Bis(3-chloropyridine)dibromocopper(II)","Crystal Growth & Design","2011","11","12","5316","","10.1021/cg200893n","","","0.71073","MoKα","","0.0918","0.0515","","","0.1079","0.1249","","","","","","1.006","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501214","16.8704","0.0007","21.2935","0.0009","9.5632","0.0004","90","","120.011","0.001","90","","2974.8","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H53 Fe4 Na7 O58 Sb6 -","- C24 H12 Fe4 Na7 O58 Sb6 -","- C48 H24 Fe8 Na14 O116 Sb12 -","2","0.5","","Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.","Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds","Crystal Growth & Design","2011","11","10","4632","","10.1021/cg200899w","","","0.71073","MoKα","","0.0303","0.0301","","","0.0836","0.0838","","","","","","1.02","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501215","19.0892","0.0009","19.0892","0.0009","24.5573","0.0012","90","","90","","120","","7749.7","0.6","298","2","298","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C54 H101 Fe14 K3 N2 O116 Sb12 -","- C48 H24 Fe14 K3 O92.8 Sb12 -","- C96 H48 Fe28 K6 O185.6 Sb24 -","2","0.166667","","Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.","Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds","Crystal Growth & Design","2011","11","10","4632","","10.1021/cg200899w","","","0.71073","MoKα","","0.0457","0.0356","","","0.1298","0.1371","","","","","","1.215","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501216","18.3733","0.0005","18.3733","0.0005","73.386","0.002","90","","90","","120","","21454.5","1","296","2","296","2","","","","","","","","8","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C54 H116 Fe12 K5 N4 Na3 O118 Sb12 -","- C48 Fe11.774 K5 Na3 O169.33 Sb12 -","- C288 Fe70.644 K30 Na18 O1015.98 Sb72 -","6","0.5","","Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.","Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds","Crystal Growth & Design","2011","11","10","4632","","10.1021/cg200899w","","","0.71073","MoKα","","0.1196","0.1082","","","0.275","0.2839","","","","","","1.117","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501217","7.9013","0.0006","5.6116","0.0004","20.1258","0.0016","90","","101.26","0.004","90","","875.18","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PC-4-10e (2-aminopyrazine)2, 1,4-diiodotetrafluorobenzene","","- C14 H10 F4 I2 N6 -","- C14 H10 F4 I2 N6 -","- C28 H20 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Avoiding “Synthon Crossover” in Crystal Engineering with Halogen Bonds and Hydrogen Bonds","Crystal Growth & Design","2011","11","12","5333","","10.1021/cg2009013","","","0.71073","MoKα","","0.0413","0.0336","","","0.0749","0.0808","","","","","","0.739","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501218","5.6316","0.0006","8.1219","0.0009","21.226","0.002","90","","93.035","0.004","90","","969.5","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-11e 2-amino-5-bromopyrazine, 1,4-diiodotetrafluorobenzene","","- C14 H8 Br2 F4 I2 N6 -","- C14 H8 Br2 F4 I2 N6 -","- C28 H16 Br4 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Avoiding “Synthon Crossover” in Crystal Engineering with Halogen Bonds and Hydrogen Bonds","Crystal Growth & Design","2011","11","12","5333","","10.1021/cg2009013","","","0.71073","MoKα","","0.0347","0.0296","","","0.0647","0.0668","","","","","","1.056","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501219","5.6428","0.0004","9.7705","0.0007","10.4014","0.0007","100.821","0.003","103.743","0.003","93.752","0.003","543.49","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-12e (3-amino-2,6-dibromopyrazine)2, 1,4-diiodotetrafluorobenzene","","- C14 H6 Br4 F4 I2 N6 -","- C14 H6 Br4 F4 I2 N6 -","- C14 H6 Br4 F4 I2 N6 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Avoiding “Synthon Crossover” in Crystal Engineering with Halogen Bonds and Hydrogen Bonds","Crystal Growth & Design","2011","11","12","5333","","10.1021/cg2009013","","","0.71073","MoKα","","0.0285","0.0259","","","0.0635","0.0646","","","","","","1.064","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501220","12.299","0.002","15.006","0.003","15.438","0.003","90","","90","","90","","2849.2","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 F4 N4 O12 Zn2 -","- C24 H22 F4 N4 O12 Zn2 -","- C96 H88 F16 N16 O48 Zn8 -","4","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao","Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand","Crystal Growth & Design","2011","11","12","5171","","10.1021/cg200902g","","","0.71073","MoKα","","0.025","0.0219","","","0.0585","0.0599","","","","","","1.045","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501221","13.0654","0.0006","13.0654","0.0006","12.3392","0.001","90","","90","","120","","1824.16","0.19","295","2","295","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C11 H7 Cd Cl F2 N2 O2 -","- C11 H7 Cd Cl F2 N2 O2 -","- C66 H42 Cd6 Cl6 F12 N12 O12 -","6","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao","Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand","Crystal Growth & Design","2011","11","12","5171","","10.1021/cg200902g","","","0.71073","MoKα","","0.0158","0.0149","","","0.0367","0.0371","","","","","","1.031","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501222","13.294","0.003","16.269","0.004","11.18","0.003","90","","99.609","0.004","90","","2384.1","1","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 O9 Zn2 -","- C24 H20 N4 O9 Zn2 -","- C96 H80 N16 O36 Zn8 -","4","0.5","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao","Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand","Crystal Growth & Design","2011","11","12","5171","","10.1021/cg200902g","","","0.71073","MoKα","","0.1449","0.0517","","","0.0942","0.1287","","","","","","0.971","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501223","12.297","0.0005","26.057","0.0012","26.084","0.0012","90","","90","","90","","8357.9","0.6","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H20 Cu4 O24 -","- C37 H20 Cu4 O24 -","- C148 H80 Cu16 O96 -","4","0.5","","Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong","Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands","Crystal Growth & Design","2011","11","10","4284","","10.1021/cg200919m","","","0.71073","MoKα","","0.0873","0.0839","","","0.2668","0.2715","","","","","","1.081","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501224","12.4105","0.0005","26.2172","0.0012","26.2215","0.0012","90","","90","","90","","8531.7","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H20 O24 Zn4 -","- C37 H20 O24 Zn4 -","- C148 H80 O96 Zn16 -","4","0.5","","Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong","Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands","Crystal Growth & Design","2011","11","10","4284","","10.1021/cg200919m","","","0.71073","MoKα","","0.0829","0.0761","","","0.2367","0.2488","","","","","","1.144","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501225","18.326","0.004","19.033","0.004","12.529","0.003","90","","90","","90","","4370.1","1.7","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C55 H62 Cd4 N6 O26 -","- C55 H62 Cd4 N6 O26 -","- C110 H124 Cd8 N12 O52 -","2","0.5","","Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong","Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands","Crystal Growth & Design","2011","11","10","4284","","10.1021/cg200919m","","","0.71073","MoKα","","0.0441","0.0428","","","0.1165","0.1179","","","","","","1.068","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501226","7.6417","0.0004","23.3523","0.0009","9.7987","0.0006","90","","108.017","0.007","90","","1662.85","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","EDT-TTFI2,ClO4","","","- C8 H4 Cl I2 O4 S6 -","- C8 H4 Cl I2 O4 S6 -","- C32 H16 Cl4 I8 O16 S24 -","4","1","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","","0.71073","MoKα","","0.0321","0.0272","","","0.0592","0.0609","","","","","","1.166","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501227","7.755","0.0003","17.4439","0.0005","18.3384","0.0006","67.622","0.002","85.438","0.002","77.408","0.001","2238.76","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTFI2)2 (rac)camphorsulfonate","","","- C26 H23 I4 O4 S13 -","- C26 H23 I4 O4 S13 -","- C52 H46 I8 O8 S26 -","2","1","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","","0.71073","MoKα","","0.0321","0.03","","","0.0896","0.0904","","","","","","1.317","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501228","7.7713","0.0002","14.1238","0.0004","17.1337","0.0005","112.569","0.001","94.867","0.001","105.053","0.001","1640.7","0.08","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(EDT-TTFI2)4,1,5-naphtalene bis(sulfonate)","","","- C42 H22 I8 O6 S26 -","- C42 H22 I8 O6 S26 -","- C42 H22 I8 O6 S26 -","1","0.5","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","x-ray","0.71073","MoKα","","0.031","0.0273","","","0.0643","0.0664","","","","","","1.06","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501229","7.984","0.0007","10.7355","0.0009","11.4398","0.001","101.32","0.003","96.26","0.003","99.933","0.003","936.62","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTFI2)2,2,6-naphtalene bis(sulfonate)","","","- C26 H14 I4 O6 S14 -","- C26 H14 I4 O6 S14 -","- C26 H14 I4 O6 S14 -","1","0.5","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","","0.71073","MoKα","","0.0211","0.0189","","","0.0421","0.0458","","","","","","1.086","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501230","8.2897","0.0005","16.5934","0.001","17.3822","0.0009","69.717","0.002","87.867","0.002","79.992","0.002","2207.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTFI2)4,2,6-anthracene bis(sulfonate)","","","- C54 H28 I10 O6 S32 -","- C54.016 H28.032 I9.984 O6 S32.016 -","- C54.016 H28.032 I9.984 O6 S32.016 -","1","0.5","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","","0.71073","MoKα","","0.0698","0.05","","","0.1356","0.145","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501231","7.11422","0.00013","13.5618","0.0003","25.7091","0.0005","90","","90","","90","","2480.46","0.09","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N O4 -","- C26 H43 N O4 -","- C104 H172 N4 O16 -","4","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.0719","","","","0.2482","","","","","","1.154","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501232","7.2948","0.0003","26.2511","0.0009","13.5197","0.0006","90","","91.019","0.0019","90","","2588.57","0.18","213","","213","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H88 O8 -","- C58 H88 O8 -","- C116 H176 O16 -","2","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.0722","","","","0.202","","","","","","1.05","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501233","7.27171","0.00013","13.271","0.0003","25.7839","0.0005","90","","90","","90","","2488.22","0.09","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N2 O3 -","- C26 H44 N2 O3 -","- C104 H176 N8 O12 -","4","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.0396","","","","0.1077","","","","","","1.067","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501234","7.3377","0.0003","26.4525","0.0009","13.2866","0.0005","90","","91.334","0.002","90","","2578.24","0.17","213.1","","213.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H90 N2 O6 -","- C58 H90 N2 O6 -","- C116 H180 N4 O12 -","2","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.1176","","","","0.3462","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501235","7.745","0.003","9.175","0.004","14.9","0.007","88.982","0.004","77.227","0.005","70.695","0.004","972.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Cl2 N O2 Ru -","- C17 H21 Cl2 N O2 Ru -","- C34 H42 Cl4 N2 O4 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0641","0.0438","","","0.0933","0.1012","","","","","","0.991","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501236","9.967","0.004","21.173","0.009","43.9","0.02","90","","90","","90","","9264","7","293","2","293","2","","","","","","","","6","F 2 d d","F -2d 2","43","","","","- C19 H25 Cl2 N O3 Ru -","- C19 H25 Cl2 N O3 Ru -","- C304 H400 Cl32 N16 O48 Ru16 -","16","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0682","0.065","","","0.1718","0.1739","","","","","","1.18","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501237","9.99","0.01","21.22","0.03","11.34","0.02","90","","107.72","0.02","90","","2290","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl2 N O3 Ru -","- C21 H29 Cl2 N O3 Ru -","- C84 H116 Cl8 N4 O12 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0997","0.0738","","","0.1993","0.2206","","","","","","1.05","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501238","7.723","0.005","9.125","0.005","18.896","0.005","99.575","0.005","98.117","0.005","110.92","0.005","1197.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Cl2 N O3 Ru -","- C22 H29 Cl2 N O3 Ru -","- C44 H58 Cl4 N2 O6 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0993","0.0786","","","0.2074","0.2269","","","","","","1.102","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501239","7.712","0.005","8.864","0.005","14.729","0.005","88.487","0.005","82.809","0.005","68.192","0.005","927.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl2 N O2 Ru -","- C16 H17 Cl2 N O2 Ru -","- C32 H34 Cl4 N2 O4 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0359","0.0285","","","0.0647","0.0681","","","","","","1.001","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501240","7.626","0.008","8.595","0.009","13.219","0.014","99.134","0.015","99.263","0.014","103.57","0.014","813.7","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl2 N O2 Ru -","- C16 H17 Cl2 N O2 Ru -","- C32 H34 Cl4 N2 O4 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0774","0.0623","","","0.1488","0.1571","","","","","","1.039","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501241","8.056","0.006","8.634","0.006","11.505","0.008","86.602","0.01","80.733","0.009","76.736","0.009","768.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl2 N O3 Ru -","- C13 H15 Cl2 N O3 Ru -","- C26 H30 Cl4 N2 O6 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0941","0.0806","","","0.2121","0.2232","","","","","","1.089","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501242","21.421","0.004","11.107","0.002","15.888","0.003","90","","126.51","0.03","90","","3038.3","1.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H30 Cd N4 O5 -","- C34 H30 Cd N4 O5 -","- C136 H120 Cd4 N16 O20 -","4","1","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0705","0.0648","","","0.162","0.1688","","","","","","1.062","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501243","10.938","0.002","20.601","0.004","8.6455","0.0017","90","","99.75","0.03","90","","1920","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cd N2 O4 -","- C22 H19 Cd N2 O4 -","- C88 H76 Cd4 N8 O16 -","4","1","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0452","0.0378","","","0.0813","0.0854","","","","","","1.074","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501244","9.9","0.002","10.868","0.002","15.037","0.003","90","0.03","102.16","0.03","109.35","0.03","1488","0.6","293.15","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cd N4 O4 -","- C34 H30 Cd N4 O4 -","- C68 H60 Cd2 N8 O8 -","2","1","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.045","0.039","","","0.0901","0.0942","","","","","","1.05","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501245","11.941","0.002","13.8","0.003","14.351","0.003","90","","97.81","0.03","90","","2342.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Cd N2 O5 -","- C26 H19 Cd N2 O5 -","- C104 H76 Cd4 N8 O20 -","4","1","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0637","0.0499","","","0.0864","0.0935","","","","","","1.076","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501246","22.289","0.004","9.918","0.002","17.866","0.004","90","","123.07","0.03","90","","3309.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cd N4 O4 -","- C38 H30 Cd N4 O4 -","- C152 H120 Cd4 N16 O16 -","4","0.5","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0402","0.0393","","","0.0947","0.0954","","","","","","1.078","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501247","13.967","0.003","15.1","0.003","17.078","0.003","90","","105.38","0.03","90","","3472.8","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H55 Cd4 N8 O18 -","- C76 H55 Cd4 N8 O18 -","- C152 H110 Cd8 N16 O36 -","2","0.5","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0563","0.0512","","","0.1066","0.11","","","","","","1.064","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501248","13.1497","0.001","14.2074","0.0011","18.4957","0.0014","90","","97.294","0.002","90","","3427.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Cl2 Hg N2 O4 S2 -","- C30 H42 Cl2 Hg N2 O4 S2 -","- C120 H168 Cl8 Hg4 N8 O16 S8 -","4","1","","Casas, José S.; Collazo, Ricardo; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.","Mercury(II) Complexes Containing the [Hg(L)2]2‒, [Hg(L)(HL)]−, and [Hg(HL)2] Units [H2L = 3-(2-Chlorophenyl)-2-sulfanylpropenoic Acid]. Structural and Spectroscopic Effects of the Different Degrees of Ligand Protonation","Crystal Growth & Design","2011","11","12","5370","","10.1021/cg200963g","","","0.71073","MoKα","","0.1866","0.0469","","","0.0608","0.0799","","","","","","0.74","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501249","15.2002","0.0013","10.5386","0.0009","18.6041","0.0015","90","","113.418","0.002","90","","2734.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Cl2 Hg N O4 S2 -","- C24 H27 Cl2 Hg N O4 S2 -","- C96 H108 Cl8 Hg4 N4 O16 S8 -","4","1","","Casas, José S.; Collazo, Ricardo; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.","Mercury(II) Complexes Containing the [Hg(L)2]2‒, [Hg(L)(HL)]−, and [Hg(HL)2] Units [H2L = 3-(2-Chlorophenyl)-2-sulfanylpropenoic Acid]. Structural and Spectroscopic Effects of the Different Degrees of Ligand Protonation","Crystal Growth & Design","2011","11","12","5370","","10.1021/cg200963g","","","0.71073","MoKα","","0.0812","0.0381","","","0.0721","0.0878","","","","","","1.038","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501250","4.0068","0.0001","13.5443","0.0004","24.6328","0.0007","90","","90.326","0.001","90","","1336.78","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl2 Hg O8 S2 -","- C18 H12 Cl2 Hg O8 S2 -","- C36 H24 Cl4 Hg2 O16 S4 -","2","0.5","","Casas, José S.; Collazo, Ricardo; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.","Mercury(II) Complexes Containing the [Hg(L)2]2‒, [Hg(L)(HL)]−, and [Hg(HL)2] Units [H2L = 3-(2-Chlorophenyl)-2-sulfanylpropenoic Acid]. Structural and Spectroscopic Effects of the Different Degrees of Ligand Protonation","Crystal Growth & Design","2011","11","12","5370","","10.1021/cg200963g","","","0.71073","MoKα","","0.0701","0.0501","","","0.1243","0.1369","","","","","","1.143","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501251","3.7181","0.0011","6.76","0.002","10.202","0.003","106.78","0.02","92.74","0.02","92.82","0.03","244.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 F2 O2 Tl -","- C4 F2 O2 Tl -","- C8 F4 O4 Tl2 -","2","1","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0513","0.0417","","","0.1061","0.113","","","","","","1.053","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501252","7.3534","0.0011","8.8387","0.0013","10.4471","0.0016","76.527","0.012","73.958","0.012","68.095","0.011","598.99","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F8 O15 Pb2 -","- C16 H12 F8 O15 Pb2 -","- C16 H12 F8 O15 Pb2 -","1","0.5","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0319","0.0245","","","0.0488","0.0513","","","","","","1.041","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501253","5.1941","0.001","6.4197","0.0013","9.3841","0.0018","73.02","0.02","88.35","0.02","76.35","0.02","290.54","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 F4 O8 Zn -","- C8 H8 F4 O8 Zn -","- C8 H8 F4 O8 Zn -","1","0.5","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0428","0.0339","","","0.0756","0.0783","","","","","","1.045","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501254","5.1691","0.0013","6.4094","0.0016","9.396","0.003","72.66","0.03","88.67","0.03","76.9","0.03","289.09","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Co F4 O8 -","- C8 H8 Co F4 O8 -","- C8 H8 Co F4 O8 -","1","0.5","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0871","0.0759","","","0.1934","0.2084","","","","","","1.042","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501255","8.2336","0.0011","19.402","0.002","9.697","0.0012","90","","101.727","0.015","90","","1516.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 F8 N2 O11 Zn2 -","- C24 H20 F8 N2 O11 Zn2 -","- C48 H40 F16 N4 O22 Zn4 -","2","1","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0686","0.0466","","","0.1017","0.1108","","","","","","0.933","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501256","8.4375","0.001","19.512","0.002","9.7423","0.001","90","","101.824","0.013","90","","1569.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 F8 Mn2 N2 O11 -","- C24 H20 F8 Mn2 N2 O11 -","- C48 H40 F16 Mn4 N4 O22 -","2","1","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0955","0.0558","","","0.1172","0.1322","","","","","","0.904","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501257","10.113","0.0011","10.7154","0.0012","10.7332","0.0012","60.861","0.001","80.486","0.001","76.604","0.001","986.37","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cu3 O28 P4 U2 -","- C28 H16 Cu3 O28 P4 U2 -","- C28 H16 Cu3 O28 P4 U2 -","1","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Heterobimetallic Copper(II) Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","10","4676","","10.1021/cg200978y","","","0.71073","MoKα","","0.0403","0.0322","","","0.1029","0.1123","","","","","","0.861","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501258","9.595","0.003","10.33","0.003","13.67","0.004","75.702","0.003","88.854","0.004","65.345","0.003","1187.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cu2 O33 P4 U3 -","- C28 H16 Cu2 O33 P4 U3 -","- C28 H16 Cu2 O33 P4 U3 -","1","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Heterobimetallic Copper(II) Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","10","4676","","10.1021/cg200978y","","","0.71073","MoKα","","0.0631","0.0435","","","0.1043","0.1114","","","","","","1.243","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501259","18.621","0.003","18.621","0.003","69.793","0.014","90","","90","","120","","20958","6","99","2","99","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Cu N2 O4 -","- C14 H10 Cu N2 O4 -","- C504 H360 Cu36 N72 O144 -","36","1","","Liu, Xinfang; Oh, Minhak; Lah, Myoung Soo","Adsorbate Selectivity of Isoreticular Microporous Metal‒Organic Frameworks with Similar Static Pore Dimensions","Crystal Growth & Design","2011","11","11","5064","","10.1021/cg200983y","","","0.8","synchrotron","","0.0785","0.0734","","","0.2157","0.2209","","","","","","1.072","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4501260","8.4166","0.0004","8.8831","0.0004","10.5541","0.0005","112.742","0.001","90.845","0.001","107.401","0.001","686.77","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H32 Br6 Ce2 O8 -","- C8 H32 Br6 Ce2 O8 -","- C8 H32 Br6 Ce2 O8 -","1","0.5","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0311","0.0253","","","0.0586","0.0606","","","","","","1.024","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501261","9.6245","0.0005","14.2124","0.0007","12.7436","0.0006","90","","90.199","0.001","90","","1743.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Br6 Ce2 O8 -","- C16 H48 Br6 Ce2 O8 -","- C32 H96 Br12 Ce4 O16 -","2","0.5","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0318","0.0245","","","0.0555","0.0583","","","","","","1.024","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501262","6.9877","0.0005","8.7234","0.0006","8.7851","0.0006","66.055","0.001","74.133","0.001","89.17","0.001","467.93","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H10 Ce Cl3 O3 -","- C2 H10 Ce Cl3 O3 -","- C4 H20 Ce2 Cl6 O6 -","2","1","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0215","0.0198","","","0.0467","0.0476","","","","","","1.039","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501263","6.7897","0.0006","8.5362","0.0007","9.1909","0.0008","106.227","0.001","110.362","0.001","99.697","0.001","458.15","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H10 Ce Cl3 O3 -","- C2 H10 Ce Cl3 O3 -","- C4 H20 Ce2 Cl6 O6 -","2","1","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0164","0.0155","","","0.0375","0.038","","","","","","1.042","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501264","22.321","0.0017","9.2553","0.0007","14.2247","0.0011","90","","96.847","0.001","90","","2917.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 Br3 Ce O3 -","- C6 H18 Br3 Ce O3 -","- C48 H144 Br24 Ce8 O24 -","8","1","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0298","0.0259","","","0.0606","0.0623","","","","","","1.042","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501265","10.9064","0.0007","11.6119","0.0008","14.151","0.001","108.177","0.001","111.473","0.001","95.749","0.001","1537.25","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H86 Br10 Ce4 O14 -","- C30 H86 Br10 Ce4 O14 -","- C30 H86 Br10 Ce4 O14 -","1","0.5","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.026","0.0208","","","0.0451","0.0465","","","","","","1.027","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501266","22.383","0.002","8.9005","0.0008","13.7495","0.0012","90","","97.001","0.001","90","","2718.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 Ce Cl3 O3 -","- C6 H18 Ce Cl3 O3 -","- C48 H144 Ce8 Cl24 O24 -","8","1","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0204","0.0183","","","0.0437","0.0445","","","","","","1.057","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501267","7.31","0.002","11.83","0.003","13.276","0.004","83.311","0.004","77.624","0.004","76.431","0.004","1087.4","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","1,3-adamantanedicarboxylic acid 1,3-di(pyridin-4-yl)propane complex","","- C25 H30 N2 O4 -","- C25 H30 N2 O4 -","- C50 H60 N4 O8 -","2","1","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.0451","0.0396","","","0.1003","0.1036","","","","","","1.06","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501268","6.3778","0.0013","25.714","0.005","6.5647","0.0013","90","","110.23","0.03","90","","1010.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1,3-adamantanedicarboxylic acid E-1,2-di(pyridine-4yl)diazene","","- C22 H23 N4 O4 -","- C22 H23 N4 O4 -","- C44 H46 N8 O8 -","2","0.5","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.1563","0.0766","","","0.1857","0.2143","","","","","","1.022","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501269","23.332","0.007","13.044","0.004","13.742","0.004","90","","95.881","0.005","90","","4160","2","297","","297","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-adamantanedicarboxylic acid (E)-2,2'-(ethene-1,2-diyl)dipyridine 1-oxide","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C192 H208 N16 O48 -","8","1","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.0873","0.067","","","0.1595","0.172","","","","","","1.112","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501270","6.8121","0.0011","13.329","0.002","32.622","0.005","90","","90","","90","","2962","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-adamantanedicarboxylic acid and 1,7-phenanthroline complex","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C144 H128 N16 O16 -","4","1","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.068","0.0484","","","0.1057","0.1249","","","","","","1.145","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501271","8.59","0.03","14.65","0.04","24.1","0.07","90","","97.88","0.05","90","","3004","16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-adamantanedicarboxylic acid 1,7-phenanthroline complex","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C144 H128 N16 O16 -","4","1","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.08","0.0655","","","0.1712","0.1836","","","","","","1.238","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501272","9.5177","0.0017","17.235","0.003","10.9094","0.0019","90","","93.011","0.003","90","","1787.1","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.0555","0.0377","","","0.0907","0.1004","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501273","9.4088","0.0012","18.474","0.002","10.9396","0.0013","90","","95.535","0.001","90","","1892.6","0.4","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.048","0.0375","","","0.0867","0.0926","","","","","","1.045","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501274","9.9661","0.0001","18.3254","0.0002","14.3623","0.0002","90","","101.586","0.001","90","","2569.58","0.05","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O6 -","- C29 H26 N2 O6 -","- C116 H104 N8 O24 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","1.54178","CuKα","","0.0387","0.0362","","","0.0963","0.0991","","","","","","1.046","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501275","8.3904","0.0001","15.005","0.0002","22.5231","0.0003","90","","96.43","0.001","90","","2817.77","0.06","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N6 O5 S2 -","- C31 H24 N6 O5 S2 -","- C124 H96 N24 O20 S8 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.0733","0.0456","","","0.1137","0.1263","","","","","","1.048","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501276","11.842","0.003","16.252","0.003","14.325","0.004","90","","109.151","0.002","90","","2604.4","1.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N4 O5 -","- C29 H28 N4 O5 -","- C116 H112 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.0759","0.0469","","","0.1062","0.1191","","","","","","1.127","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501277","22.746","0.003","31.072","0.004","25.14","0.004","90","","115.475","0.001","90","","16041","4","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H97 N16 O26.5 -","- C71 H77 N16 O26.5 -","- C568 H616 N128 O212 -","8","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.096","0.0624","","","0.1729","0.1953","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501278","25.698","0.0004","19.7165","0.0004","30.1786","0.0006","90","","90","","90","","15290.7","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C73 H91 N16 O21.5 -","- C73 H80 N16 O21.5 -","- C584 H640 N128 O172 -","8","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","1.54178","CuKα","","0.0746","0.063","","","0.1801","0.1898","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501279","15.417","0.005","25.356","0.005","14.384","0.005","90","0.005","108.842","0.005","90","0.005","5322","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 N4 O12 Zn -","- C56 H52 N4 O12 Zn -","- C224 H208 N16 O48 Zn4 -","4","0.5","","Bhuyan, Jagannath; Sarkar, Sabyasachi","Self-Assembly of Magnesium and Zinc Trimethoxyphenylporphyrin Polymer as Nanospheres and Nanorods","Crystal Growth & Design","2011","11","12","5410","","10.1021/cg2010002","","","0.71069","MoKα","","0.0672","0.0532","","","0.1402","0.151","","","","","","1.069","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501280","15.491","0.005","25.283","0.005","14.293","0.005","90","0.005","108.877","0.005","90","0.005","5297","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Mg N4 O12 -","- C56 H52 Mg N4 O12 -","- C224 H208 Mg4 N16 O48 -","4","0.5","","Bhuyan, Jagannath; Sarkar, Sabyasachi","Self-Assembly of Magnesium and Zinc Trimethoxyphenylporphyrin Polymer as Nanospheres and Nanorods","Crystal Growth & Design","2011","11","12","5410","","10.1021/cg2010002","","","0.71069","MoKα","","0.1193","0.0743","","","0.2048","0.2369","","","","","","0.984","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501281","8.5224","0.0007","10.6036","0.0009","18.3452","0.0014","103.901","0.007","92.165","0.006","111.942","0.007","1477.6","0.2","453","2","453","2","","","","","","","","6","P -1","-P 1","2","Cu-Sulphoisophthalate","","","- C20 H12 Cu6 N0 O22 S2 -","- C20 H12 Cu6 O22 S2 -","- C40 H24 Cu12 O44 S4 -","2","1","","Sarma, Debajit; Natarajan, Srinivasan","Usefulness of in Situ Single Crystal to Single Crystal Transformation (SCSC) Studies in Understanding the Temperature-Dependent Dimensionality Cross-over and Structural Reorganization in Copper-Containing Metal‒Organic Frameworks (MOFs)","Crystal Growth & Design","2011","11","12","5415","","10.1021/cg201003d","","","0.71073","MoKα","","0.1845","0.0955","","","0.2266","0.2634","","","","","","0.957","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501282","9.855","0.001","10.2262","0.0012","11.2271","0.0012","87.016","0.009","64.142","0.01","68.121","0.01","936.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cu-Nitroisophthalate","","","- C32 H12 Cu5 N4 O26 -","- C32 H12 Cu5 N4 O26 -","- C32 H12 Cu5 N4 O26 -","1","0.5","","Sarma, Debajit; Natarajan, Srinivasan","Usefulness of in Situ Single Crystal to Single Crystal Transformation (SCSC) Studies in Understanding the Temperature-Dependent Dimensionality Cross-over and Structural Reorganization in Copper-Containing Metal‒Organic Frameworks (MOFs)","Crystal Growth & Design","2011","11","12","5415","","10.1021/cg201003d","","","0.71073","MoKα","","0.0717","0.044","","","0.1061","0.1172","","","","","","1.005","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501283","9.0215","0.0011","5.1904","0.0005","33.712","0.003","90","","95.613","0.012","90","","1571","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N5 O4 -","- C16 H15 N5 O4 -","- C64 H60 N20 O16 -","4","1","","McHugh, Charlene; Erxleben, Andrea","Supramolecular Structures and Tautomerism of Carboxylate Salts of Adenine and Pharmaceutically RelevantN6-Substituted Adenine","Crystal Growth & Design","2011","11","11","5096","","10.1021/cg201007m","","","0.71073","MoKα","","0.1237","0.0742","","","0.1288","0.1519","","","","","","1.142","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501284","8.4126","0.0004","11.7538","0.0004","13.5103","0.0006","90","","103.951","0.005","90","","1296.49","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N5 O2 -","- C13 H12 N5 O2 -","- C52 H48 N20 O8 -","4","1","","McHugh, Charlene; Erxleben, Andrea","Supramolecular Structures and Tautomerism of Carboxylate Salts of Adenine and Pharmaceutically RelevantN6-Substituted Adenine","Crystal Growth & Design","2011","11","11","5096","","10.1021/cg201007m","","","0.71073","MoKα","","0.0571","0.0408","","","0.0967","0.1059","","","","","","1.041","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501285","13.8273","0.0009","16.7538","0.0009","13.0832","0.0009","90","","100.822","0.006","90","","2976.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N15 O10 -","- C23 H27 N15 O10 -","- C92 H108 N60 O40 -","4","1","","McHugh, Charlene; Erxleben, Andrea","Supramolecular Structures and Tautomerism of Carboxylate Salts of Adenine and Pharmaceutically RelevantN6-Substituted Adenine","Crystal Growth & Design","2011","11","11","5096","","10.1021/cg201007m","","","0.71073","MoKα","","0.1457","0.0544","","","0.0787","0.1105","","","","","","0.901","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501286","11.0271","0.0003","16.9334","0.0005","9.6188","0.0003","90","","90","","90","","1796.08","0.09","180","","180","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C32 H27 N8 O17.5 Zr -","- C32 H26 N8 O17.5 Zr -","- C64 H52 N16 O35 Zr2 -","2","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.036","0.0302","","0.0396","0.0339","0.033","","","","","","1.1286","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501287","10.699","0.003","16.784","0.006","10.022","0.003","90","","90","","90","","1799.7","1","373","2","373","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H12 N4 O8 Zr0.5 -","- C16 H12 N4 O8 Zr0.5 -","- C64 H48 N16 O32 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.074","0.0551","","","0.1359","0.151","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501288","19.896","0.005","10.154","0.005","21.312","0.005","90","0.005","96.116","0.005","90","0.005","4281","3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N8 O22 Zr -","- C36 H40 N8 O22 Zr -","- C144 H160 N32 O88 Zr4 -","4","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.0353","0.0324","","","0.0945","0.0961","","","","","","1.082","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501289","21.313","0.005","10.974","0.005","18.5","0.005","90","0.005","97.862","0.005","90","0.005","4286","2","180","","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N8 O20 Zr -","- C36 H32 N8 O20 Zr -","- C144 H128 N32 O80 Zr4 -","4","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.0501","0.0444","","","0.1479","0.1517","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501290","15.8577","0.0004","21.8722","0.0007","22.3681","0.0007","90","","90","","90","","7758.2","0.4","100","","100","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C36 H33 N8 O16.5 Zr -","- C36 H32 N8 O16.5 Zr -","- C288 H256 N64 O132 Zr8 -","8","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44–Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.0557","0.0422","","0.0724","0.0407","0.0366","","","","","","1.0717","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4501291","13.8592","0.0004","13.0033","0.0004","22.7481","0.0007","90","","104.311","0.001","90","","3972.3","0.2","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N8 O19 Zr -","- C32 H24 N8 O19 Zr -","- C128 H96 N32 O76 Zr4 -","4","1","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.1139","0.0569","","0.1026","0.06","0.0569","","","","","","0.9823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501292","16.55518","0.0002","5.52088","0.00007","8.88587","0.00008","90","","90","","90","","812.161","0.016","298","","298","","","","","","","","","3","P m 21 n","P -2ab -2","31","","","","- La6 O18 W3 -","- La6 O18 W3 -","- La12 O36 W6 -","2","0.5","","Allix, Mathieu; Chambrier, Marie-Hélène; Véron, Emmanuel; Porcher, Florence; Suchomel, Matthew; Goutenoire, François","Synthesis and Structure Determination of the High Temperature Form of La2WO6","Crystal Growth & Design","2011","11","11","5105","","10.1021/cg201010y","powder diffraction","neutron","1.2254","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.7302","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501293","9.571","0.001","11.412","0.001","15.354","0.001","100.112","0.002","104.855","0.002","107.673","0.002","1484.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N2 Ni O5 -","- C32 H32 N2 Ni O5 -","- C64 H64 N4 Ni2 O10 -","2","1","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.1429","0.1345","","","0.2842","0.2893","","","","","","1.174","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501294","7.991","0.001","9.525","0.001","11.412","0.001","73.263","0.002","69.952","0.002","89.353","0.002","777.72","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 Ni O4 -","- C36 H44 N2 Ni O4 -","- C36 H44 N2 Ni O4 -","1","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.0849","0.0821","","","0.1995","0.2015","","","","","","1.112","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501295","14.479","0.001","7.486","0.001","18.681","0.001","90","","117.004","0.002","90","","1804.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N2 Ni O4 -","- C40 H52 N2 Ni O4 -","- C80 H104 N4 Ni2 O8 -","2","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.109","0.0888","","","0.2071","0.2237","","","","","","1.091","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501296","9.377","0.001","9.594","0.001","11.204","0.001","103.73","0.001","93.568","0.002","108.922","0.002","915.54","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N2 Ni O4 -","- C42 H56 N2 Ni O4 -","- C42 H56 N2 Ni O4 -","1","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.0561","0.0543","","","0.151","0.1526","","","","","","1.059","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501297","30.098","0.002","7.534","0.001","18.595","0.001","90","","94.259","0.003","90","","4204.9","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 N2 Ni O4 -","- C46 H64 N2 Ni O4 -","- C184 H256 N8 Ni4 O16 -","4","1","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.3764","0.3146","","","0.699","0.7293","","","","","","2.699","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501298","9.437","0.001","11.538","0.001","11.999","0.001","105.351","0.001","104.803","0.002","93.052","0.002","1207.79","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H78 N2 Ni O5 -","- C53 H78 N2 Ni O5 -","- C53 H78 N2 Ni O5 -","1","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.0658","0.0622","","","0.1508","0.153","","","","","","1.124","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501299","42.384","0.001","42.384","","5.095","0.001","90","","90","","120","","7926.4","1.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C40 H52 N2 Ni O2.5 -","- C38 H48 N2 Ni O2 -","- C342 H432 N18 Ni9 O18 -","9","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.0665","0.0564","","","0.1449","0.152","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501300","12.637","0.002","13.23","0.005","8.256","0.006","90","","102.01","0.005","90","","1350.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Lama, Prem; Bharadwaj, Parimal K.","Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties","Crystal Growth & Design","2011","11","12","5434","","10.1021/cg201028e","","","0.71073","MoKα","","0.0892","0.0596","","","0.1422","0.1708","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501301","16.499","0.005","16.499","0.005","16.499","0.005","90","","90","","90","","4491","2","298","2","298","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C13 H13.67 Cd1.33 Cl0.67 N5 O2.67 -","- C13 H13.66 Cd1.33333 Cl0.666667 N5 O2.66667 -","- C156 H163.92 Cd16 Cl8 N60 O32 -","12","0.5","","Lama, Prem; Bharadwaj, Parimal K.","Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties","Crystal Growth & Design","2011","11","12","5434","","10.1021/cg201028e","","","0.71073","MoKα","","0.1561","0.075","","","0.1723","0.2222","","","","","","1.003","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501302","16.635","0.003","16.635","0.003","16.635","0.003","90","","90","","90","","4603.3","1.4","298","2","298","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C13 H13.67 Br0.67 Cd1.33 N5 O2.67 -","- C14 H13.66 Br0.666667 Cd1.33333 N5 O2.66667 -","- C168 H163.92 Br8 Cd16 N60 O32 -","12","0.5","","Lama, Prem; Bharadwaj, Parimal K.","Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties","Crystal Growth & Design","2011","11","12","5434","","10.1021/cg201028e","","","0.71073","MoKα","","0.1488","0.0849","","","0.2088","0.2538","","","","","","1.01","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501303","16.614","0.005","16.614","0.005","16.614","0.005","90","","90","","90","","4586","2","298","2","298","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C13 H13.67 Cd1.33 I0.67 N5 O2.67 -","- C13 H13.26 Cd1.33333 I0.666667 N5 O2.66667 -","- C156 H159.12 Cd16 I8 N60 O32 -","12","0.5","","Lama, Prem; Bharadwaj, Parimal K.","Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties","Crystal Growth & Design","2011","11","12","5434","","10.1021/cg201028e","","","0.71073","MoKα","","0.1236","0.0969","","","0.2144","0.2341","","","","","","1.086","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501304","19.641","0.017","19.641","0.017","45.07","0.03","90","","90","","120","","15057","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H33.33 Er3 O30.5 -","- C48 H27 Er3 O30.46 -","- C288 H162 Er18 O182.76 -","6","0.333333","","Yang, Jin; Song, Shu-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yu, Zhen-Tao","Syntheses, Structures, Photoluminescence, and Gas Adsorption of Rare Earth‒Organic Frameworks Based on a Flexible Tricarboxylate","Crystal Growth & Design","2011","11","12","5469","","10.1021/cg2010425","","","0.71073","MoKα","","0.0536","0.0409","","","0.1566","0.1634","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501305","19.7921","0.0009","19.7921","0.0009","45.383","0.0017","90","","90","","120","","15396","1.1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H31 Dy3 O27 -","- C48 H27 Dy3 O26.99 -","- C288 H162 Dy18 O161.94 -","6","0.333333","","Yang, Jin; Song, Shu-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yu, Zhen-Tao","Syntheses, Structures, Photoluminescence, and Gas Adsorption of Rare Earth‒Organic Frameworks Based on a Flexible Tricarboxylate","Crystal Growth & Design","2011","11","12","5469","","10.1021/cg2010425","","","0.71073","MoKα","","0.0823","0.0437","","","0.1445","0.1514","","","","","","0.966","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501306","19.8558","0.0007","19.8558","0.0007","45.5011","0.0014","90","","90","","120","","15535.6","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H31 O27 Tb3 -","- C48 H27 O26.95 Tb3 -","- C288 H162 O161.7 Tb18 -","6","0.333333","","Yang, Jin; Song, Shu-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yu, Zhen-Tao","Syntheses, Structures, Photoluminescence, and Gas Adsorption of Rare Earth‒Organic Frameworks Based on a Flexible Tricarboxylate","Crystal Growth & Design","2011","11","12","5469","","10.1021/cg2010425","","","0.71073","MoKα","","0.0722","0.0499","","","0.178","0.1868","","","","","","1.059","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501307","8.1448","0.001","17.478","0.003","11.1576","0.0015","90","","94.266","0.004","90","","1583.9","0.4","123","2","123","2","","","101.3","","","","","4","C 1 2/c 1","-C 2yc","15","5-aminoisophthalic acid hemihydrate","","","- C8 H8 N O4.5 -","- C8 H8 N O4.5 -","- C64 H64 N8 O36 -","8","1","","Fujii, Kotaro; Sakon, Aya; Sekine, Akiko; Uekusa, Hidehiro","Reversible Color Switching of an Organic Crystal Induced by Organic Solvent Vapors","Crystal Growth & Design","2011","11","10","4305","","10.1021/cg2010437","","x-ray","0.71075","MoKα","","0.0452","0.0403","","","0.1078","0.1118","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501308","3.6585","0.0003","14.7575","0.0012","14.6863","0.0011","90","","90","","90","","792.92","0.11","123","2","123","2","","","101.3","","","","","4","P b c n","-P 2n 2ab","60","5-aminoisophthalic acid","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","0.5","","Fujii, Kotaro; Sakon, Aya; Sekine, Akiko; Uekusa, Hidehiro","Reversible Color Switching of an Organic Crystal Induced by Organic Solvent Vapors","Crystal Growth & Design","2011","11","10","4305","","10.1021/cg2010437","","x-ray","0.71075","MoKα","","0.0519","0.039","","","0.1008","0.1107","","","","","","1.067","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501309","29.31","0.014","7.026","0.003","9.173","0.004","90","","106.564","0.018","90","","1810.6","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C88 H88 N16 O8 -","4","0.5","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Acid Inclusion Properties of Helical Self-Assembly of a 5,5′-Biquinoline Derivative","Crystal Growth & Design","2011","11","11","5131","","10.1021/cg201052k","","","0.71073","MoKα","","0.0763","0.0445","","","0.1113","0.1246","","","","","","0.902","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501310","51.844","0.011","8.1994","0.0019","24.616","0.006","90","","90","","90","","10464","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C22 H24 Cl2 N4 O10 -","- C22 H24 Cl2 N4 O10 -","- C352 H384 Cl32 N64 O160 -","16","0.5","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Acid Inclusion Properties of Helical Self-Assembly of a 5,5′-Biquinoline Derivative","Crystal Growth & Design","2011","11","11","5131","","10.1021/cg201052k","","","0.71073","MoKα","","0.2256","0.1216","","","0.26","0.2872","","","","","","1.972","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501311","14.64","0.005","20.521","0.005","8.322","0.002","90","","90","","90","","2500.2","1.2","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C22 H24 N6 O10 -","- C22 H24 N6 O10 -","- C88 H96 N24 O40 -","4","0.5","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Acid Inclusion Properties of Helical Self-Assembly of a 5,5′-Biquinoline Derivative","Crystal Growth & Design","2011","11","11","5131","","10.1021/cg201052k","","","0.71073","MoKα","","0.2274","0.1038","","","0.2092","0.245","","","","","","1.274","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501312","34.3111","0.001","40.5399","0.0011","20.3265","0.0007","90","","90","","90","","28273.5","1.5","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C138 H92 Cd12 N115 -","- C138 H92 Cd12 N115 -","- C552 H368 Cd48 N460 -","4","0.5","","Pachfule, Pradip; Banerjee, Rahul","Porous Nitrogen Rich Cadmium-Tetrazolate Based Metal Organic Framework (MOF) for H2and CO2Uptake","Crystal Growth & Design","2011","11","12","5176","","10.1021/cg201054f","","","0.71073","MoKα","","0.0687","0.0531","","","0.1478","0.1583","","","","","","1.035","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501313","9.3287","0.0003","17.3921","0.0006","12.0743","0.0003","90","","104.795","0.0009","90","","1894.05","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 N4 O8 Zn -","- C13 H24 N4 O8 Zn -","- C52 H96 N16 O32 Zn4 -","4","1","","Hao, Hong-Jun; Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Discrete Octamer Water Cluster and 1D T5(2) Water Tape Trapped in Two Luminescent Zn(II)/1,2-Bis(imidazol-1′-yl)ethane/Dicarboxylate Hosts: From 2D (4,4) Net to 3D 5-Fold Interpenetrated Diamond Network","Crystal Growth & Design","2011","11","12","5475","","10.1021/cg201067q","","","0.71073","MoKα","","0.0881","0.0764","","","0.223","0.2355","","","","","","0.943","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501314","6.5568","0.0011","15.078","0.003","20.543","0.003","90","","90","","90","","2031","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N4 O7 Zn -","- C16 H28 N4 O7 Zn -","- C64 H112 N16 O28 Zn4 -","4","1","","Hao, Hong-Jun; Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Discrete Octamer Water Cluster and 1D T5(2) Water Tape Trapped in Two Luminescent Zn(II)/1,2-Bis(imidazol-1′-yl)ethane/Dicarboxylate Hosts: From 2D (4,4) Net to 3D 5-Fold Interpenetrated Diamond Network","Crystal Growth & Design","2011","11","12","5475","","10.1021/cg201067q","","","0.71073","MoKα","","0.0331","0.0322","","","0.082","0.0826","","","","","","1.049","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501315","5.5635","0.0012","5.5635","0.0012","13.835","0.004","90","","90","","120","","370.86","0.16","296.1","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Ito, Toshimitsu; Ushiyama, Tomoharu; Yanagisawa, Yuji; Kumai, Reiji; Tomioka, Yasuhide","Growth of Highly Insulating Bulk Single Crystals of Multiferroic BiFeO3and Their Inherent Internal Strains in the Domain-Switching Process","Crystal Growth & Design","2011","11","11","5139","","10.1021/cg201068m","","","0.93868","synchrotron","","","0.0286","","","","0.0852","","","","","","1.249","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501316","11.3439","0.0004","8.9239","0.0003","21.8087","0.0008","90","","102.874","0.002","90","","2152.24","0.13","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","0.7","synchrotron","","","0.0718","","","","0.2028","","","","","","1.133","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501317","11.5094","0.0002","8.92224","0.00016","21.9131","0.0004","90","","102.471","0.0009","90","","2197.15","0.07","213","","213","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","1.54187","CuKα","","","0.0521","","","","0.1484","","","","","","1.087","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501318","10.13","0.0001","13.8586","0.0002","16.1692","0.0003","90","","107.154","0.0006","90","","2168.98","0.06","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","0.7","synchrotron","","","0.0621","","","","0.1776","","","","","","1.104","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501319","9.88125","0.00018","10.12115","0.00018","22.1855","0.0004","95.305","0.0009","93.75","0.0009","91.771","0.001","2203","0.07","213.1","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","2","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","1.54187","CuKα","","","0.0654","","","","0.1578","","","","","","0.848","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501320","25.991","0.004","3.871","0.0003","21.352","0.004","90","","100.522","0.007","90","","2112.1","0.5","93.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","0.7","synchrotron","","","0.1683","","","","0.454","","","","","","2.028","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501321","46.139","0.0008","3.8558","0.0001","28.7157","0.0007","90","","123.614","0.0009","90","","4254.38","0.17","296.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C240 H128 O32 -","8","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","0.7","synchrotron","","","0.0697","","","","0.2038","","","","","","1.034","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501322","8.0151","0.0003","8.2236","0.0003","10.1892","0.0004","97.859","0.002","111.1","0.003","90.847","0.003","619.2","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.0556","0.0388","","","0.1009","0.1113","","","","","","1.144","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501323","13.5546","0.0007","5.0299","0.0002","20.115","0.0009","90","","101.635","0.003","90","","1343.23","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.0766","0.0458","","","0.1261","0.1494","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501324","13.8752","0.0005","7.1838","0.0003","17.8301","0.0008","90","","99.906","0.003","90","","1750.75","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N6 O6 -","- C17 H16 N6 O6 -","- C68 H64 N24 O24 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.06","0.0436","","","0.1264","0.1388","","","","","","1.009","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501325","13.111","0.003","3.7622","0.0008","27.767","0.006","90","","92.905","0.015","90","","1367.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O6 -","- C13 H11 N3 O6 -","- C52 H44 N12 O24 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.146","0.079","","","0.1899","0.2526","","","","","","0.941","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501326","3.6888","0.0005","11.9356","0.0013","14.3954","0.0015","77.356","0.007","87.328","0.007","87.862","0.008","617.52","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N4 O6 -","- C11 H10 N4 O6 -","- C22 H20 N8 O12 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.077","0.0661","","","0.1728","0.1852","","","","","","1.021","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501327","3.7184","0.0003","13.3383","0.0009","25.3647","0.0018","90","","93.4","0.005","90","","1255.8","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O6 -","- C13 H11 N3 O6 -","- C52 H44 N12 O24 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.0956","0.063","","","0.2191","0.235","","","","","","1.081","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501328","11.2517","0.0004","13.7154","0.0004","16.8141","0.0006","90","","106.623","0.004","90","","2486.34","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn2 -","- C24 H20 N4 O7 Zn2 -","- C96 H80 N16 O28 Zn8 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0612","0.0308","","","0.0521","0.0544","","","","","","0.776","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501329","19.6978","0.0009","14.2703","0.0004","18.4545","0.0007","90","","105.249","0.004","90","","5004.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N4 O6 -","- C24 H18 Cd N4 O6 -","- C192 H144 Cd8 N32 O48 -","8","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0669","0.0325","","","0.0688","0.074","","","","","","0.803","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501330","8.6045","0.0003","29.8829","0.001","11.1362","0.0004","90","","112.399","0.004","90","","2647.38","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cd N4 O6 -","- C26 H28 Cd N4 O6 -","- C104 H112 Cd4 N16 O24 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0524","0.0396","","","0.078","0.0834","","","","","","1.058","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501331","21.3725","0.0006","6.6892","0.0002","18.316","0.0005","90","","99.885","0.003","90","","2579.67","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd N4 O6 -","- C26 H16 Cd N4 O6 -","- C104 H64 Cd4 N16 O24 -","4","0.5","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0384","0.0325","","","0.0844","0.0858","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501332","11.4557","0.0005","13.6034","0.0004","17.3626","0.0007","90","","101.6","0.004","90","","2650.46","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 N4 O7 Zn2 -","- C24 H22 Cl2 N4 O7 Zn2 -","- C96 H88 Cl8 N16 O28 Zn8 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0854","0.0343","","","0.0481","0.052","","","","","","0.696","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501333","21.8584","0.0011","6.6597","0.0003","18.0788","0.0009","90","","103.031","0.005","90","","2564","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cd Cl2 N4 O6 -","- C24 H22 Cd Cl2 N4 O6 -","- C96 H88 Cd4 Cl8 N16 O24 -","4","0.5","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0289","0.0246","","","0.0651","0.0662","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501334","22.8165","0.0007","13.3509","0.0003","17.3654","0.0005","90","","102.878","0.003","90","","5156.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 N4 O7 Zn2 -","- C24 H18 Cl2 N4 O7 Zn2 -","- C192 H144 Cl16 N32 O56 Zn16 -","8","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0506","0.03","","","0.0605","0.0627","","","","","","0.87","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501335","8.8008","0.0004","13.2055","0.0007","14.7201","0.0008","75.022","0.005","84.608","0.004","81.718","0.004","1632.51","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cd Cl2 N6 O7 -","- C29 H25 Cd Cl2 N6 O7 -","- C58 H50 Cd2 Cl4 N12 O14 -","2","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.038","0.0308","","","0.0791","0.0806","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501336","23.4341","0.0009","13.3311","0.0005","17.2856","0.0008","90","","103.112","0.004","90","","5259.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Br2 N4 O7 Zn2 -","- C24 H18 Br2 N4 O7 Zn2 -","- C192 H144 Br16 N32 O56 Zn16 -","8","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0713","0.0321","","","0.0546","0.0576","","","","","","0.738","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501337","11.423","0.0005","11.6505","0.0004","12.0593","0.0006","88.882","0.004","65.94","0.004","67.746","0.004","1338.92","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br2 Cd N4 O6 -","- C24 H22 Br2 Cd N4 O6 -","- C48 H44 Br4 Cd2 N8 O12 -","2","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0464","0.0348","","","0.0858","0.0881","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501338","12.5216","0.0005","16.6325","0.0005","18.2844","0.0007","90","","106.623","0.004","90","","3648.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N10 O11 Zn2 -","- C34 H34 N10 O11 Zn2 -","- C136 H136 N40 O44 Zn8 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0423","0.0267","","","0.0563","0.0578","","","","","","0.879","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501339","24.4367","0.0009","15.4726","0.0005","23.1895","0.0009","90","","118.59","0.005","90","","7698.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Cd2 N10 O12 -","- C34 H36 Cd2 N10 O12 -","- C272 H288 Cd16 N80 O96 -","8","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0422","0.0248","","","0.0523","0.0541","","","","","","0.869","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501340","14.9735","0.0006","9.3372","0.0003","14.3187","0.0006","90","","90","","90","","2001.91","0.13","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H19 N4 O6.5 S Zn -","- C17 H18 N4 O6.5 S Zn -","- C68 H72 N16 O26 S4 Zn4 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0356","0.0301","","","0.0751","0.0796","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501341","22.1486","0.0011","22.1486","0.0011","23.6629","0.0013","90","","90","","120","","10052.9","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","[Ni(aepa)2]3Sb6S12","","","- C30 H90 N18 Ni3 S12 Sb6 -","- C30 H90 N18 Ni3 S12 Sb6 -","- C180 H540 N108 Ni18 S72 Sb36 -","6","0.333333","","Seidlhofer, Beatrix; Djamil, John; Näther, Christian; Bensch, Wolfgang","From Zero- to Three-Dimensional Thioantimonates: [Ni(aepa)2]3Sb6S12(aepa = C5H15N3=N-(aminoethyl)-1,3-propandiamine), Containing the Unique [Sb6S12]6‒Cyclic Anion, [Ni(aepa)2]6(Sb3S6)2(SO4)3·2H2O, with Isolated [Sb3S6]3‒anions and [Ni(aepa)2]Sb4S7, Characterized by a Three-Dimensional Network Structure","Crystal Growth & Design","2011","11","12","5554","","10.1021/cg201122e","","","0.71073","MoKα","","0.0481","0.038","","","0.0974","0.1028","","","","","","1.067","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501342","13.3436","0.0008","14.1266","0.0009","18.3991","0.0012","73.635","0.007","85.432","0.007","63.2","0.007","2965.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Ni(aepa)2]6(Sb3S6)2(SO4)3*2H2O","","","- C60 H180 N36 Ni6 O14 S15 Sb6 -","- C60 H180 N36 Ni6 O14 S15 Sb6 -","- C60 H180 N36 Ni6 O14 S15 Sb6 -","1","0.5","","Seidlhofer, Beatrix; Djamil, John; Näther, Christian; Bensch, Wolfgang","From Zero- to Three-Dimensional Thioantimonates: [Ni(aepa)2]3Sb6S12(aepa = C5H15N3=N-(aminoethyl)-1,3-propandiamine), Containing the Unique [Sb6S12]6‒Cyclic Anion, [Ni(aepa)2]6(Sb3S6)2(SO4)3·2H2O, with Isolated [Sb3S6]3‒anions and [Ni(aepa)2]Sb4S7, Characterized by a Three-Dimensional Network Structure","Crystal Growth & Design","2011","11","12","5554","","10.1021/cg201122e","","","0.71073","MoKα","","0.0766","0.0406","","","0.0753","0.085","","","","","","0.935","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501343","14.3884","0.001","12.1193","0.0006","16.1524","0.0011","90","","94.175","0.008","90","","2809.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Ni(aepa)2]Sb4S7","","","- C10 H30 N6 Ni S7 Sb4 -","- C10 H30 N6 Ni S7 Sb4 -","- C40 H120 N24 Ni4 S28 Sb16 -","4","0.5","","Seidlhofer, Beatrix; Djamil, John; Näther, Christian; Bensch, Wolfgang","From Zero- to Three-Dimensional Thioantimonates: [Ni(aepa)2]3Sb6S12(aepa = C5H15N3=N-(aminoethyl)-1,3-propandiamine), Containing the Unique [Sb6S12]6‒Cyclic Anion, [Ni(aepa)2]6(Sb3S6)2(SO4)3·2H2O, with Isolated [Sb3S6]3‒anions and [Ni(aepa)2]Sb4S7, Characterized by a Three-Dimensional Network Structure","Crystal Growth & Design","2011","11","12","5554","","10.1021/cg201122e","","","0.71073","MoKα","","0.025","0.0221","","","0.0545","0.0557","","","","","","1.067","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501344","10.1924","0.0003","11.706","0.0003","16.9698","0.0004","80.3176","0.0008","82.9188","0.0008","64.7791","0.0007","1802.57","0.08","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 Cu3 I8 N24 W2 -","- C56 H32 Cu3 I8 N24 W2 -","- C56 H32 Cu3 I8 N24 W2 -","1","0.5","","Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi","High Thermal Durability of Water-Free Copper-Octacyanotungsten-Based Magnets Containing Halogen Bonds","Crystal Growth & Design","2011","11","12","5561","","10.1021/cg2011265","","","0.71075","MoKα","","","0.0401","","","","0.1134","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501345","10.1695","0.0003","11.7943","0.0003","16.2736","0.0004","81.66","0.0007","82.604","0.0008","64.616","0.0007","1739.95","0.08","296","1","296","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 Br8 Cu3 N24 W2 -","- C56 H32 Br8 Cu3 N24 W2 -","- C56 H32 Br8 Cu3 N24 W2 -","1","0.5","","Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi","High Thermal Durability of Water-Free Copper-Octacyanotungsten-Based Magnets Containing Halogen Bonds","Crystal Growth & Design","2011","11","12","5561","","10.1021/cg2011265","","","0.71075","MoKα","","","0.0419","","","","0.1047","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501346","10.017","0.0002","20.5075","0.0004","15.8952","0.0004","90","","95.677","0.001","90","","3249.23","0.12","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H22 Cl6 Cu3 N22 O6 W2 -","- C46 H22 Cl6 Cu3 N22 O6 W2 -","- C92 H44 Cl12 Cu6 N44 O12 W4 -","2","0.5","","Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi","High Thermal Durability of Water-Free Copper-Octacyanotungsten-Based Magnets Containing Halogen Bonds","Crystal Growth & Design","2011","11","12","5561","","10.1021/cg2011265","","","0.71075","MoKα","","","0.0312","","","","0.0744","","","","","","1.114","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501347","30.0742","0.0007","44.9301","0.0009","18.4571","0.0005","90","","107.961","0.001","90","","23724.5","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H44 Cu3 N6 O15 -","- C57 H44 Cu3 N6 O15 -","- C456 H352 Cu24 N48 O120 -","8","1","","Roberts, John M.; Farha, Omar K.; Sarjeant, Amy A.; Hupp, Joseph T.; Scheidt, Karl A.","Two Azolium Rings Are Better Than One: A Strategy for Controlling Catenation and Morphology in Zn and Cu Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","11","4747","","10.1021/cg2011309","","","1.54178","CuKα","","0.108","0.0802","","","0.2253","0.2471","","","","","","0.939","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501348","42.6542","0.0008","42.6542","0.0008","12.8454","0.0003","90","","90","","120","","20239.6","0.7","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H20 Cu N4 O5 -","- C23.5 H20 Cu N4 O5 -","- C423 H360 Cu18 N72 O90 -","18","0.5","","Roberts, John M.; Farha, Omar K.; Sarjeant, Amy A.; Hupp, Joseph T.; Scheidt, Karl A.","Two Azolium Rings Are Better Than One: A Strategy for Controlling Catenation and Morphology in Zn and Cu Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","11","4747","","10.1021/cg2011309","","","0.71073","MoKα","","0.0986","0.0821","","","0.2594","0.2727","","","","","","1.101","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501349","24.3627","0.0007","23.9175","0.0007","17.0679","0.0005","90","","91.52","0.001","90","","9941.9","0.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C216 H144 N24 O52 Zn16 -","4","0.5","","Roberts, John M.; Farha, Omar K.; Sarjeant, Amy A.; Hupp, Joseph T.; Scheidt, Karl A.","Two Azolium Rings Are Better Than One: A Strategy for Controlling Catenation and Morphology in Zn and Cu Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","11","4747","","10.1021/cg2011309","","","1.54178","CuKα","","0.1416","0.1166","","","0.273","0.2965","","","","","","1.023","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501350","7.967","0.003","10.714","0.004","25.047","0.007","90.457","0.012","47.347","0.015","104.474","0.013","1482.9","1","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H22 Br N4 Ni O4 S2 -","- C32 H22 Br N4 Ni O4 S2 -","- C64 H44 Br2 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1329","0.0577","","","0.1056","0.1269","","","","","","0.937","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501351","7.9949","0.0005","10.5604","0.0006","25.1285","0.001","90.129","0.002","46.516","0.002","104.497","0.002","1446.03","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 N4 Ni O4 S2 -","- C32 H23 N4 Ni O4 S2 -","- C64 H46 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1427","0.0598","","","0.1222","0.1631","","","","","","0.951","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501352","7.914","0.004","10.998","0.007","25.259","0.01","94.67","0.03","47.86","0.02","109.29","0.03","1507.5","1.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 N4 Ni O4 S2 -","- C33 H23 N4 Ni O4 S2 -","- C66 H46 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.245","0.0847","","","0.1624","0.2143","","","","","","0.887","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501353","8.0561","0.0014","10.532","0.003","25.053","0.004","89.246","0.008","46.529","0.009","104.237","0.009","1444.1","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H22.5 N4.5 Ni O4.5 S2 -","- C32.5 H22.5 N4.5 Ni O4.5 S2 -","- C65 H45 N9 Ni2 O9 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1353","0.0579","","","0.0985","0.1153","","","","","","0.918","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501354","8.08","0.003","10.559","0.004","25.127","0.008","90.539","0.014","46.499","0.017","104.295","0.016","1467","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 N4 Ni O4 S2 -","- C33 H23 N4 Ni O4 S2 -","- C66 H46 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1406","0.0562","","","0.0768","0.0919","","","","","","0.89","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501355","7.89","0.006","10.494","0.008","24.94","0.02","88.86","0.05","46.97","0.05","104.38","0.04","1409","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 N4 Ni O4 S2 -","- C33 H23 N4 Ni O4 S2 -","- C66 H46 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1049","0.0612","","","0.1403","0.1584","","","","","","1.005","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501356","7.902","0.008","10.616","0.014","25.3","0.019","88.92","0.05","47.67","0.04","103.08","0.06","1484","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 N4 Ni O4 S2 -","- C33 H24 N4 Ni O4 S2 -","- C66 H48 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.115","0.051","","","0.0855","0.1003","","","","","","0.928","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501357","7.9599","0.0009","10.6979","0.0011","25.101","0.003","91.691","0.006","46.861","0.006","105.439","0.005","1467.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 N4 Ni O4 S2 -","- C26 H18 N4 Ni O4 S2 -","- C52 H36 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.074","0.0469","","","0.1216","0.1288","","","","","","1.028","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501358","8.045","0.005","10.703","0.008","25.238","0.013","92.1","0.03","46.83","0.03","105.62","0.04","1492.3","1.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 N4 Ni O5 S2 -","- C33 H22 N4 Ni O5 S2 -","- C66 H44 N8 Ni2 O10 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.161","0.0673","","","0.1306","0.1631","","","","","","0.951","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501359","7.9188","0.0015","10.94","0.003","25.131","0.004","95.1","0.01","47.478","0.008","109.418","0.01","1484.2","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 N4 Ni O4 S2 -","- C33 H24 N4 Ni O4 S2 -","- C66 H48 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.0721","0.0411","","","0.0843","0.0922","","","","","","1.016","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501360","8.0084","0.0012","10.8831","0.0017","25.266","0.003","94.429","0.007","47.263","0.007","108.899","0.006","1497.6","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 N5 Ni O4 S2 -","- C32 H23 N5 Ni O4 S2 -","- C64 H46 N10 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.0696","0.0392","","","0.0815","0.0886","","","","","","1.022","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501361","8.0119","0.0012","10.6195","0.0019","25.101","0.004","90.643","0.008","46.418","0.009","104.657","0.009","1455.5","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 N4 Ni O4 S2 -","- C26 H18 N4 Ni O4 S2 -","- C52 H36 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.0989","0.0558","","","0.1469","0.1609","","","","","","1.021","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501362","8.017","0.0006","10.9346","0.0011","25.16","0.002","95.529","0.006","47.384","0.005","108.006","0.005","1523.4","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 N4 Ni O4 S2 -","- C35 H24 N4 Ni O4 S2 -","- C70 H48 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.2152","0.0705","","","0.0915","0.117","","","","","","0.893","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501363","8.016","0.003","10.895","0.004","25.054","0.006","95.348","0.016","47.118","0.014","109.109","0.008","1488.2","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 N4 Ni O4 S2 -","- C35 H24 N4 Ni O4 S2 -","- C70 H48 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1022","0.0495","","","0.0905","0.1023","","","","","","0.932","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501364","23.888","0.003","15.07","0.009","31.114","0.004","120.34","0.03","35.968","0.007","136.79","0.04","4403","5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H66 N12 Ni3 O12 S6 -","- C102 H66 N12 Ni3 O12 S6 -","- C204 H132 N24 Ni6 O24 S12 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1291","0.0742","","","0.2107","0.2597","","","","","","1.115","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501365","11.0822","0.0004","20.8637","0.0009","22.935","0.001","90","","90","","90","","5302.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N7 Ni O6 S2 -","- C24 H21 N7 Ni O6 S2 -","- C192 H168 N56 Ni8 O48 S16 -","8","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1223","0.0853","","","0.2323","0.2525","","","","","","1.019","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501366","13.0842","0.0011","13.0842","0.0011","19.878","0.002","90","","90","","120","","2947.1","0.5","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C40 H40 Br2 Cu N8 O6 -","- C40 Br2 Cu N8 O6 -","- C120 Br6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.086","0.0777","","","0.2137","0.2216","","","","","","1.736","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501367","13.6744","0.0008","13.6744","0.0008","15.0225","0.0012","90","","90","","120","","2432.7","0.3","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C28 H38 Br2 Cu N8 O9 -","- C28 H18 Br2 Cu N8 O9 -","- C84 H54 Br6 Cu3 N24 O27 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.08","0.0614","","","0.1591","0.1727","","","","","","1.115","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501368","13.0785","0.001","13.0785","0.001","20.083","0.003","90","","90","","120","","2974.9","0.5","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C34 H44 Br2 Cu N8 O6 -","- C34 H44 Br2 Cu N8 O6 -","- C102 H132 Br6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.0263","0.0229","","","0.0579","0.06","","","","","","1.064","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501369","12.9292","0.0006","12.9292","0.0006","20.1039","0.0011","90","","90","","120","","2910.4","0.2","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C34 H44 Cl2 Cu N8 O6 -","- C34 H44 Cl2 Cu N8 O6 -","- C102 H132 Cl6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.0299","0.0262","","","0.0618","0.064","","","","","","1.041","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501370","8.9583","0.0007","21.06","0.002","8.9583","0.0007","90","","130.337","0.012","90","","1288.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","barbituric acid CaCl2 (H2O)5","","- C4 H14 Ca Cl2 N2 O8 -","- C4 H8 Ca Cl2 N2 O8 -","- C16 H32 Ca4 Cl8 N8 O32 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.0412","0.0318","","","","0.0715","","","","","","1.05","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501371","7.8917","0.0005","7.2632","0.0005","12.9379","0.0008","90","","102.815","0.007","90","","723.12","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","diaceamide CaCl2 (H2O)5","","- C4 H17 Ca Cl2 N O7 -","- C4 H7 Ca Cl2 N O7 -","- C8 H14 Ca2 Cl4 N2 O14 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.0668","0.0551","","","","0.1497","","","","","","1.059","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501372","5.9055","0.0004","8.0258","0.0005","11.5035","0.0006","71.208","0.005","80.134","0.005","85.297","0.005","508.32","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","malonamide CaCl2 (H2O)2","","- C3 H10 Ca Cl2 N2 O4 -","- C3 H10 Ca Cl2 N2 O4 -","- C6 H20 Ca2 Cl4 N4 O8 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.029","0.0251","","","","0.0682","","","","","","0.845","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501373","9.68836","0.00019","9.27808","0.00012","6.19667","0.00011","103.035","0.0016","98.5641","0.0014","107.858","0.0017","502.027","0.017","","","","","","","","","","","","5","P -1","-P 1","2","","nicotinamide CaCl2 H2O","","- C6 Ca Cl2 N2 O2 -","- C6 Ca Cl2 N2 O2 -","- C12 Ca2 Cl4 N4 O4 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501374","21.7401","0.0012","6.8716","0.0003","12.8167","0.0007","90","","117.775","0.007","90","","1694.08","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","nicotinamide2 CaCl2 (H2O)2","","- C12 H16 Ca Cl2 N4 O4 -","- C12 H16 Ca Cl2 N4 O4 -","- C48 H64 Ca4 Cl8 N16 O16 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.0504","0.0384","","","","0.088","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501375","8.89548","0.00008","9.60922","0.00013","11.9274","0.00012","90","","108.059","0.0006","90","","969.314","0.019","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","piracetam2 CaCl2 (H2O)2","","- C12 Ca Cl2 N4 O6 -","- C12 Ca Cl2 N4 O6 -","- C24 Ca2 Cl4 N8 O12 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501376","8.9444","0.0005","9.8519","0.0004","11.8823","0.0007","90","","106.52","0.007","90","","1003.84","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","piracetam2 SrCl2 (H2O)2","","- C12 H24 Cl2 N4 O6 Sr -","- C12 H24 Cl2 N4 O6 Sr -","- C24 H48 Cl4 N8 O12 Sr2 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.0687","0.0377","","","0.0691","0.075","","","","","","0.933","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501377","24.665","0.002","10.7741","0.0009","16.0097","0.0014","90","","93.126","0.001","90","","4248.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N3 O9 Zn -","- C12 H12 N3 O9 Zn -","- C96 H96 N24 O72 Zn8 -","8","1","","Cui, Peipei; Wu, Junling; Zhao, Xiaoliang; Sun, Di; Zhang, Liangliang; Guo, Jie; Sun, Daofeng","Two Solvent-Dependent Zinc(II) Supramolecular Isomers: Rarekgdand Lonsdaleite Network Topologies Based on a Tripodal Flexible Ligand","Crystal Growth & Design","2011","11","12","5182","","10.1021/cg201181s","","","0.71073","MoKα","","0.0372","0.0314","","","0.0854","0.0878","","","","","","1.077","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501378","24.0866","0.0019","4.8855","0.0004","22.2025","0.0017","90","","90","","90","","2612.7","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H34 N6 O11 Zn -","- C20 H34 N6 O11 Zn -","- C80 H136 N24 O44 Zn4 -","4","1","","Cui, Peipei; Wu, Junling; Zhao, Xiaoliang; Sun, Di; Zhang, Liangliang; Guo, Jie; Sun, Daofeng","Two Solvent-Dependent Zinc(II) Supramolecular Isomers: Rarekgdand Lonsdaleite Network Topologies Based on a Tripodal Flexible Ligand","Crystal Growth & Design","2011","11","12","5182","","10.1021/cg201181s","","","0.71073","MoKα","","0.045","0.0354","","","0.0882","0.0941","","","","","","1.029","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501379","20.589","0.0015","20.5391","0.0015","10.4699","0.0008","90","","118.478","0.001","90","","3891.8","0.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H46 N2 O13 U2 -","- C32 H46 N2 O13 U2 -","- C128 H184 N8 O52 U8 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.045","0.0361","","","0.0826","0.0871","","","","","","1.03","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501380","12.534","0.002","16.139","0.003","25.294","0.004","90","","90","","90","","5116.6","1.5","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27 H58 N2 O39 U6 -","- C27 H28 N2 O39 U6 -","- C108 H112 N8 O156 U24 -","4","0.5","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.082","0.0522","","","0.1091","0.1216","","","","","","1.025","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501381","8.9327","0.0005","19.2047","0.0011","11.892","0.0007","90","","94.479","0.001","90","","2033.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N O8 U -","- C18 H24 N O8 U -","- C72 H96 N4 O32 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0288","0.022","","","0.0418","0.0438","","","","","","1.029","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501382","9.6535","0.0009","9.7736","0.0009","17.4401","0.0016","87.842","0.002","75.944","0.001","70.217","0.001","1500.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 N4 O26 U5 -","- C48 H60 N4 O26 U5 -","- C48 H60 N4 O26 U5 -","1","0.5","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0248","0.0191","","","0.0408","0.0423","","","","","","1.031","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501383","8.1535","0.0003","9.4052","0.0003","12.3338","0.0004","108.6","","96.054","0.001","100.771","0.001","866.68","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O6 U -","- C15 H19 N O6 U -","- C30 H38 N2 O12 U2 -","2","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0224","0.0199","","","0.0407","0.0414","","","","","","1.102","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501384","9.4706","0.0004","8.3098","0.0003","17.9773","0.0006","90","","113.185","0.002","90","","1300.53","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O5 U -","- C11 H13 N O5 U -","- C44 H52 N4 O20 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0224","0.0174","","","0.041","0.0428","","","","","","1.052","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501385","25.4837","0.0008","15.9313","0.0005","25.4808","0.0011","90","","118.76","","90","","9068.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H58 N2 O18 U2 -","- C39 H53 N2 O18 U2 -","- C312 H424 N16 O144 U16 -","8","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0411","0.0263","","","0.0515","0.0556","","","","","","1.013","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501386","8.409","0.004","9.724","0.004","9.984","0.004","75.782","0.011","72.52","0.013","65.759","0.012","703","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C28 H32 N8 O4 -","4","2","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.1459","0.0656","","","0.1529","0.1841","","","","","","0.75","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501387","11.936","0.002","9.768","0.002","14.267","0.003","90","","105.84","0.03","90","","1600.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C56 H80 N16 O16 -","8","2","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.1311","0.0673","","","0.1672","0.1983","","","","","","0.973","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501388","7.252","0.003","26.885","0.01","8.724","0.003","90","","94.642","0.012","90","","1695.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N2 O1.5 -","- C8 H10 N2 O1.5 -","- C64 H80 N16 O12 -","8","2","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.1332","0.0639","","","0.1532","0.1768","","","","","","1.099","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501389","15.07","0.009","7.742","0.004","12.065","0.007","90","","91.804","0.018","90","","1406.9","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C56 H64 N16 O8 -","8","1","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0831","0.0527","","","0.123","0.1414","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501390","13.6085","0.0015","8.1708","0.0009","15.5985","0.0017","90","","110.465","0.004","90","","1625","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","2","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.1567","0.0646","","","0.1505","0.1978","","","","","","1.004","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501391","8.256","0.003","10.458","0.003","11.089","0.004","94.863","0.008","104.619","0.008","111.931","0.008","842.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Ag N5 O5 -","- C14 H16 Ag N5 O5 -","- C28 H32 Ag2 N10 O10 -","2","1","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0698","0.059","","","0.1577","0.1671","","","","","","1.099","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4501392","9.1256","0.0011","12.2367","0.0015","17.072","0.002","90","","94.572","0.003","90","","1900.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cu N6 O8 -","- C14 H16 Cu N6 O8 -","- C56 H64 Cu4 N24 O32 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0438","0.0344","","","0.1141","0.1205","","","","","","0.951","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501393","7.6683","0.0007","8.5377","0.0008","8.605","0.0008","73.392","0.003","71.199","0.003","83.191","0.003","510.84","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cu N4 O6 -","- C18 H22 Cu N4 O6 -","- C18 H22 Cu N4 O6 -","1","0.5","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0453","0.0366","","","0.1113","0.1183","","","","","","0.899","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501394","8.403","0.003","8.825","0.004","8.895","0.004","89.555","0.011","67.609","0.009","78.394","0.011","595.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl2 Cu N4 O6 -","- C20 H24 Cl2 Cu N4 O6 -","- C20 H24 Cl2 Cu N4 O6 -","1","0.5","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0482","0.0422","","","0.1455","0.1518","","","","","","1.291","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501395","13.1142","0.0014","20.024","0.002","8.4874","0.0009","90","","97.524","0.003","90","","2209.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cd N4 O7 -","- C18 H24 Cd N4 O7 -","- C72 H96 Cd4 N16 O28 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0425","0.0364","","","0.1181","0.1229","","","","","","1.021","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501396","10.2415","0.0008","11.5816","0.0009","16.2866","0.0012","90","","90.872","0.002","90","","1931.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cd I2 N4 O2 -","- C14 H16 Cd I2 N4 O2 -","- C56 H64 Cd4 I8 N16 O8 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0263","0.0229","","","0.0621","0.0637","","","","","","1.067","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501397","25.8301","0.0013","15.4939","0.0004","5.9465","0.0002","90","","90","","90","","2379.84","0.16","","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","naproxen","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","","Braun, Doris E.; Ardid-Candel, Miguel; D’Oria, Emiliana; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Jones, Alan G.; Price, Sarah L.","Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic Comparison with the Enantiopure Form","Crystal Growth & Design","2011","11","12","5659","","10.1021/cg201203u","powder diffraction","","","","","","","","","","","","","2.344","","","","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501398","19.869","0.003","19.869","0.003","27.47","0.007","90","","90","","120","","9392","3","273","2","273","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C81 H99 N0 O62 Pr6 -","- C81 H99 O62 Pr6 -","- C162 H198 O124 Pr12 -","2","0.166667","","Dai, Fangna; Sun, Di; Sun, Daofeng","Three 3D Lanthanide‒Organic Frameworks Based on Novel Flexible Multicarboxylates: From ssa to rtl Topologies","Crystal Growth & Design","2011","11","12","5670","","10.1021/cg201210p","","","0.71073","MoKα","","0.1238","0.0738","","","0.2135","0.2368","","","","","","0.957","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501399","9.0068","0.0004","22.9837","0.0009","14.8035","0.0006","90","","92.787","0.001","90","","3060.8","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Er N O7 S2 -","- C30 H32 Er N O7 S2 -","- C120 H128 Er4 N4 O28 S8 -","4","1","","Dai, Fangna; Sun, Di; Sun, Daofeng","Three 3D Lanthanide‒Organic Frameworks Based on Novel Flexible Multicarboxylates: From ssa to rtl Topologies","Crystal Growth & Design","2011","11","12","5670","","10.1021/cg201210p","","","0.71073","MoKα","","0.0315","0.0259","","","0.0624","0.0657","","","","","","1.001","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501400","9.0246","0.0018","23.061","0.004","16.967","0.003","90","","119.318","0.008","90","","3078.8","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N O7 S2 Tm -","- C30 H32 N O7 S2 Tm -","- C120 H128 N4 O28 S8 Tm4 -","4","1","","Dai, Fangna; Sun, Di; Sun, Daofeng","Three 3D Lanthanide‒Organic Frameworks Based on Novel Flexible Multicarboxylates: From ssa to rtl Topologies","Crystal Growth & Design","2011","11","12","5670","","10.1021/cg201210p","","","0.71073","MoKα","","0.0509","0.0349","","","0.0783","0.0848","","","","","","1.05","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501401","36.4209","0.0018","36.4209","0.0018","16.7366","0.0016","90","","90","","90","","22201","3","291","2","291","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C84 H86 Mo2 N28 O9 Sm2 -","- C84 H86 Mo2 N28 O9 Sm2 -","- C672 H688 Mo16 N224 O72 Sm16 -","8","0.25","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0461","0.034","","","0.0996","0.1053","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501402","37.021","0.002","37.021","0.002","15.8242","0.0018","90","","90","","90","","21688","3","291","2","291","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C84 H86 Eu2 Mo2 N28 O9 -","- C84 H86 Eu2 Mo2 N28 O9 -","- C672 H688 Eu16 Mo16 N224 O72 -","8","0.25","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0532","0.04","","","0.1149","0.1207","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501403","15.289","0.0015","20.5","0.0016","21.715","0.0012","90","","123.397","0.003","90","","5682.2","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 N14 O4 Sm W -","- C46 H50 N14 O4 Sm W -","- C184 H200 N56 O16 Sm4 W4 -","4","1","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0783","0.0532","","","0.1148","0.1211","","","","","","1.036","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501404","16.9844","0.0012","18.95","0.002","23.4842","0.0016","90","","125.795","0.003","90","","6130.8","0.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 Mo N16 O8 Pr -","- C42 H62 Mo N16 O8 Pr -","- C168 H248 Mo4 N64 O32 Pr4 -","4","1","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0636","0.0503","","","0.1234","0.1272","","","","","","1.065","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501405","17.0136","0.0013","19.237","0.003","23.1634","0.0015","90","","126.1","0.003","90","","6125.5","1.2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 N16 O8 Pr W -","- C42 H62 N16 O8 Pr W -","- C168 H248 N64 O32 Pr4 W4 -","4","1","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0546","0.0423","","","0.0907","0.0937","","","","","","1.047","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501406","5.979","0.0005","18.5907","0.0014","8.1134","0.0006","90","","90.217","0.003","90","","901.83","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Ag N2 O4 -","- C6 H10 Ag N2 O4 -","- C24 H40 Ag4 N8 O16 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.0803","0.0749","","","0.183","0.1847","","","","","","1.146","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501407","8.5611","0.0004","9.6326","0.0005","14.2471","0.0007","90","","98.892","0.002","90","","1160.78","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Ag N2 O4 -","- C8 H14 Ag N2 O4 -","- C32 H56 Ag4 N8 O16 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.052","0.0475","","","0.1306","0.1343","","","","","","1.077","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501408","15.552","0.004","5.1737","0.0013","18.305","0.005","90","","114.02","0.009","90","","1345.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Ag N2 O5 -","- C12 H14 Ag N2 O5 -","- C48 H56 Ag4 N8 O20 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.0331","0.0283","","","0.0722","0.0748","","","","","","1.04","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501409","16.456","0.002","5.2236","0.0007","18.018","0.002","90","","113.186","0.003","90","","1423.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Ag N2 O5 -","- C13 H16 Ag N2 O5 -","- C52 H64 Ag4 N8 O20 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.0397","0.0316","","","0.0886","0.0937","","","","","","1.05","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501410","9.0801","0.0005","8.1551","0.0005","33.2742","0.0018","90","","95.781","0.002","90","","2451.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Ag N3 O7 -","- C24 H28 Ag N3 O7 -","- C96 H112 Ag4 N12 O28 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.0501","0.0356","","","0.0882","0.094","","","","","","1.065","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501411","23.712","0.005","12.822","0.003","10.888","0.002","90","","112.132","0.002","90","","3066.4","1.1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cd Cl2 N6 O2 S2 -","- C29 H24 Cd Cl2 N6 O2 S2 -","- C116 H96 Cd4 Cl8 N24 O8 S8 -","4","0.5","","Xiao, Jing; Chen, Cheng-Xia; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","Cd(II)-Schiff-Base Metal‒Organic Frameworks: Synthesis, Structure, and Reversible Adsorption and Separation of Volatile Chlorocarbons","Crystal Growth & Design","2011","11","12","5696","","10.1021/cg201226t","","","0.71073","MoKα","","0.0483","0.0425","","","0.1006","0.1039","","","","","","1.061","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501412","8.89282","0.00013","9.74543","0.00016","6.8513","0.0001","107.106","0.001","108.351","0.0009","85.6751","0.0009","538.54","0.015","","","","","","","","","","","","2","P -1","-P 1","2","","","","- C3 O7 -","- C3 O7 -","- C12 O28 -","4","2","","Lim, Gin Keat; Fujii, Kotaro; Harris, Kenneth D. M.; Apperley, David C.","Structure Determination from Powder X-ray Diffraction Data of a New Polymorph of a High-Density Organic Hydrate Material, with an Assessment of Hydrogen-Bond Disorder by Rietveld Refinement","Crystal Growth & Design","2011","11","12","5192","","10.1021/cg201230k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501413","13.8818","0.0003","16.0838","0.0006","17.2845","0.0005","90","","90.418","0.002","90","","3859","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H80 N24 O44 S2 U2 -","- C50 H72 N24 O44 S2 U2 -","- C100 H144 N48 O88 S4 U4 -","2","0.5","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0548","0.0379","","","0.0891","0.0937","","","","","","1.044","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501414","12.3287","0.0005","12.7531","0.0006","13.0826","0.0006","117.076","0.002","90.143","0.003","93.097","0.003","1828.01","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 N25 Na O40 S2 U2 -","- C50 H52 N25 Na O40 S2 U2 -","- C50 H52 N25 Na O40 S2 U2 -","1","0.5","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0482","0.0395","","","0.108","0.1115","","","","","","1.069","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501415","12.3792","0.0005","12.7824","0.0006","12.9655","0.0006","117.302","0.002","90.134","0.003","92.964","0.003","1819.84","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H67 Cs N24 O38 S2 U2 -","- C50 H60 Cs N24 O38 S2 U2 -","- C50 H60 Cs N24 O38 S2 U2 -","1","0.5","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0437","0.0384","","","0.1076","0.1107","","","","","","1.093","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501416","18.1419","0.0005","18.9467","0.0005","24.0974","0.0006","90","","94.418","0.002","90","","8258.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H72 Cs2 N24 O43 S3 U2 -","- C57 H63 Cs2 N24 O43 S3 U2 -","- C228 H252 Cs8 N96 O172 S12 U8 -","4","1","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0678","0.0452","","","0.1245","0.1333","","","","","","1.051","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501417","12.3243","0.0005","15.8934","0.0006","39.6333","0.001","90","","90","","90","","7763.2","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H84 K2 N24 O44 S2 U -","- C50 H62 K2 N24 O44 S2 U -","- C200 H248 K8 N96 O176 S8 U4 -","4","1","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0503","0.0417","","","0.1069","0.1101","","","","","","0.999","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501418","12.0599","0.0005","12.2791","0.0005","12.938","0.0006","68.73","0.002","78.639","0.003","75.692","0.003","1717.76","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H66 N24 O42 S2 U4 -","- C38 H66 N24 O42 S2 U4 -","- C38 H66 N24 O42 S2 U4 -","1","0.5","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0395","0.031","","","0.0804","0.0828","","","","","","1.057","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501419","18.076","0.005","30.754","0.008","34.191","0.009","90","","90","","90","","19007","9","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C84 H334 Cl2 K2 N44 O159 -","- C84 H80 Cl2 K2 N44 O32 -","- C336 H320 Cl8 K8 N176 O128 -","4","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1992","0.1063","","","0.283","0.3203","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501420","17.787","0.007","18.343","0.008","49.14","0.02","90","","90","","90","","16033","11","223","2","223","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C54 H86 Cl N24 O40 Rb -","- C54 H48 Cl N24 O26 Rb -","- C432 H384 Cl8 N192 O208 Rb8 -","8","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1929","0.1296","","","0.3751","0.4083","","","","","","1.311","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501421","10.3714","0.0008","18.4416","0.0015","24.7943","0.0019","81.556","0.003","78.978","0.003","81.251","0.003","4566.6","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H78 Cl2 N28 O38 Rb2 -","- C78 H72 Cl2 N28 O38 Rb2 -","- C156 H144 Cl4 N56 O76 Rb4 -","2","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0878","0.0548","","","0.1611","0.1768","","","","","","1.093","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501422","10.8896","0.001","28.942","0.003","21.465","0.0019","90","","97.671","0.003","90","","6704.5","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H63 Cl2 Cs2 N23 O28 -","- C48 H45 Cl2 Cs2 N23 O20 -","- C192 H180 Cl8 Cs8 N92 O80 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0722","0.0589","","","0.1789","0.1881","","","","","","1.071","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501423","10.759","0.001","27.934","0.003","21.294","0.002","90","","96.364","0.003","90","","6360.3","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H67 Ca Cl2 N23 O30 -","- C48 H45 Ca Cl2 N23 O23 -","- C192 H180 Ca4 Cl8 N92 O92 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1307","0.1176","","","0.3066","0.3134","","","","","","1.067","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501424","21.546","0.004","11.056","0.002","30.688","0.006","90","","105.313","0.002","90","","7051","2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Cl2 N24 O34 Sr -","- C54 H50 Cl2 N24 O29 Sr -","- C216 H200 Cl8 N96 O116 Sr4 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0929","0.0567","","","0.1481","0.1642","","","","","","1.01","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501425","20.4952","0.0016","19.6231","0.0016","19.3671","0.0016","90","","103.305","0.002","90","","7580","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 Ba Cl2 N24 O37 -","- C54 H70 Ba Cl2 N24 O32 -","- C216 H280 Ba4 Cl8 N96 O128 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.058","0.051","","","0.1534","0.1603","","","","","","1.084","","","","has coordinates","189193","2020-10-21","18:00:00",""
"4501426","16.725","0.003","11.85","0.002","13.514","0.002","90","","90","","90","","2678.4","0.8","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H50 Br2 K2 N22 O21 -","- C42 H40 Br2 K2 N22 O20 -","- C84 H80 Br4 K4 N44 O40 -","2","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0338","0.029","","","0.0706","0.0728","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501427","16.445","0.004","11.991","0.003","29.729","0.007","90","","96.851","0.003","90","","5820","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H136 I2 K2 N44 O60 -","- C84 H80 I2 K2 N44 O37 -","- C168 H160 I4 K4 N88 O74 -","2","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1052","0.0736","","","0.2046","0.2184","","","","","","1.089","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501428","12.0327","0.0018","16.188","0.002","28.931","0.004","90","","90","","90","","5635.3","1.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 K2 N24 O29 -","- C42 H40 K2 N24 O27 -","- C168 H160 K8 N96 O108 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0647","0.0525","","","0.1375","0.1458","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501429","11.7842","0.0016","24.518","0.003","18.522","0.003","90","","90","","90","","5351.5","1.3","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H53 I2 K2 N21 O22 -","- C36 H35 I2 K2 N21 O16 -","- C144 H140 I8 K8 N84 O64 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0433","0.0374","","","0.0936","0.0969","","","","","","1.035","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501430","11.898","0.002","15.873","0.003","14.603","0.003","90","","90.604","0.002","90","","2757.7","0.9","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H52 K2 N24 O28 -","- C42 H40 K2 N24 O26 -","- C84 H80 K4 N48 O52 -","2","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0435","0.0414","","","0.1132","0.1152","","","","","","1.033","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501431","5.5126","0.0007","11.0763","0.0014","17.406","0.002","90","","94.931","0.004","90","","1058.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.091","0.0577","","","0.1593","0.1773","","","","","","1.149","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501432","8.7244","0.0017","10.227","0.002","14.472","0.003","89.265","0.006","78.105","0.005","74.384","0.006","1215.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu2 I2 N4 -","- C24 H22 Cu2 I2 N4 -","- C48 H44 Cu4 I4 N8 -","2","1","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.0413","0.029","","","0.0942","0.1116","","","","","","0.835","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501433","7.1455","0.0006","8.7718","0.0008","10.462","0.0009","67.487","0.002","87.84","0.002","78.498","0.002","593.07","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu2 I2 N4 -","- C24 H22 Cu2 I2 N4 -","- C24 H22 Cu2 I2 N4 -","1","0.5","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.0411","0.0345","","","0.1115","0.1173","","","","","","0.912","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501434","9.452","0.002","10.3711","0.0011","10.901","0.0012","112.507","0.006","104.459","0.009","97.657","0.009","924.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cd3 Cl6 N6 O2 -","- C30 H36 Cd3 Cl6 N6 O2 -","- C30 H36 Cd3 Cl6 N6 O2 -","1","0.5","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.0827","0.0561","","","0.155","0.1786","","","","","","1.302","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501435","5.7847","0.0007","17.012","0.002","11.2798","0.0014","90","","104.402","0.004","90","","1075.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 Cu N4 -","- C24 H22 Cl2 Cu N4 -","- C48 H44 Cl4 Cu2 N8 -","2","0.5","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.106","0.0584","","","0.1374","0.159","","","","","","0.91","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501436","11.102","0.002","14.458","0.003","23.518","0.004","90","","113.883","0.008","90","","3451.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cd N6 O9 -","- C32 H38 Cd N6 O9 -","- C128 H152 Cd4 N24 O36 -","4","1","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.1186","0.0598","","","0.1565","0.1814","","","","","","1.03","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501437","10.847","0.003","10.99","0.004","11.076","0.004","83.459","0.012","85.689","0.01","84.363","0.011","1302.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 I2 N4 O Zn -","- C25 H25 I2 N4 O Zn -","- C50 H50 I4 N8 O2 Zn2 -","2","1","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.2261","0.077","","","0.156","0.1992","","","","","","0.749","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501438","10.7281","0.0012","11.1802","0.0015","14.3213","0.0019","101.425","0.001","102.836","0.001","112.312","0.002","1471.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C60 H60 N12 O4 S4 -","4","2","","Zhuang, Qi-Ya; Wang, Xiang; Gao, Yuan; Shi, Feng; Jiang, Bo; Tu, Shu-Jiang","Diversity-oriented synthesis of spiro-substituted 1,3-thiazine library via a one-pot, two-step, three-component reaction.","ACS combinatorial science","2011","13","1","84","88","10.1021/co100034v","","","0.71073","MoKα","","0.106","0.0476","","","0.0844","0.094","","","","","","1.027","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501439","6.4434","0.0006","11.249","0.0012","11.3527","0.0014","115.042","0.002","104.481","0.001","94.405","0.001","706.01","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C30 H30 N6 O2 S2 -","2","1","","Zhuang, Qi-Ya; Wang, Xiang; Gao, Yuan; Shi, Feng; Jiang, Bo; Tu, Shu-Jiang","Diversity-oriented synthesis of spiro-substituted 1,3-thiazine library via a one-pot, two-step, three-component reaction.","ACS combinatorial science","2011","13","1","84","88","10.1021/co100034v","","","0.71073","MoKα","","0.079","0.0518","","","0.1226","0.1358","","","","","","1.029","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501440","17.5878","0.0016","10.5568","0.001","16.1787","0.0015","90","","97.404","0.002","90","","2978.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Cl N2 -","- C18 H15 Cl N2 -","- C144 H120 Cl8 N16 -","8","1","","Liu, Guannan; Zhou, Yu; Lin, Daizong; Wang, Jinfang; Zhang, Lei; Jiang, Hualiang; Liu, Hong","Synthesis of Pyrrolo[1,2-a]quinoxalines via gold(I)-mediated cascade reactions.","ACS combinatorial science","2011","13","3","209","213","10.1021/co1000844","","","0.71073","MoKα","","0.0567","0.0465","","","0.1225","0.1292","","","","","","1.044","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501441","7.632","0.0004","18.751","0.0009","11.424","0.0005","90","","97.479","0.001","90","","1620.95","0.14","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 6-(5-fluoro-2-methyl-2,3-dihydrobenzofuran-7-yl)-2-methylnicotinate","","- C18 H18 F N O3 -","- C18 H18 F N O3 -","- C72 H72 F4 N4 O12 -","4","1","","Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan","Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.","ACS combinatorial science","2011","13","4","427","435","10.1021/co2000604","","","0.71073","MoKα","","0.0812","0.0723","","","0.2123","0.2225","","","","","","1.047","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501442","6.1224","0.0006","13.5559","0.0013","17.1158","0.0016","90","","94.031","0.002","90","","1417","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(5-chlorothiophen-2-yl)-6,6-dimethyl-7,8-dihydroquinolin-5(6H)-one","","- C15 H14 Cl N O S -","- C15 H14 Cl N O S -","- C60 H56 Cl4 N4 O4 S4 -","4","1","","Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan","Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.","ACS combinatorial science","2011","13","4","427","435","10.1021/co2000604","","","0.71073","MoKα","","0.0668","0.0595","","","0.1265","0.1304","","","","","","1.245","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501443","8.3406","0.0009","6.4842","0.0007","28.312","0.003","90","","98.158","0.002","90","","1515.7","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6-bis(hydroxymethyl)-2-p-tolyl-7,8-dihydroquinolin-5(6H)-one","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan","Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.","ACS combinatorial science","2011","13","4","427","435","10.1021/co2000604","","","0.71073","MoKα","","0.1013","0.0751","","","0.1385","0.1492","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501444","24.984","0.002","7.5435","0.0006","13.9681","0.0011","90","","90","","90","","2632.5","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Dimethylamino-1-(5-fluoro-2-methyl-2,3-dihydrobenzofuran-7-yl)propenone","","- C14 H16 F N O2 -","- C14 H16 F N O2 -","- C112 H128 F8 N8 O16 -","8","2","","Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan","Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.","ACS combinatorial science","2011","13","4","427","435","10.1021/co2000604","","","0.71073","MoKα","","0.0418","0.0376","","","0.1007","0.1043","","","","","","1.06","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501445","11.89","0.002","17.956","0.004","12.679","0.003","90","","113.643","0.004","90","","2479.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F N O3 -","- C32 H24 F N O3 -","- C128 H96 F4 N4 O12 -","4","1","","Aggarwal, Trapti; Imam, Maryam; Kaushik, Naveen K.; Chauhan, Virander S.; Verma, Akhilesh K.","Pyrano[4,3-b]quinolines library generation via iodocyclization and palladium-catalyzed coupling reactions.","ACS combinatorial science","2011","13","5","530","536","10.1021/co200100z","","","0.71073","MoKα","","0.1605","0.0932","","","0.2091","0.2352","","","","","","1.056","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501446","22.9061","0.0019","22.9061","0.0019","14.7776","0.0013","90","","90","","90","","7753.7","1.1","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H16 Cl N3 O -","- C22 H16 Cl N3 O -","- C352 H256 Cl16 N48 O16 -","16","1","","Wang, Shu-Liang; Ding, Jie; Jiang, Bo; Gao, Yuan; Tu, Shu-Jiang","Microwave-assisted solvent-dependent reaction: chemoselective synthesis of quinoxalin-2(1H)-ones, benzo[d]imidazoles and dipeptides.","ACS combinatorial science","2011","13","5","572","577","10.1021/co2001247","","","0.71073","MoKα","","0.153","0.0491","","","0.0718","0.0853","","","","","","0.952","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501447","16.8818","0.0005","10.7967","0.0003","20.6102","0.0006","90","","99.5901","0.0007","90","","3704.08","0.19","100.2","","100.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl4 N2 O2 Ti -","- C39 H42 Cl4 N2 O2 Ti -","- C156 H168 Cl16 N8 O8 Ti4 -","4","1","","Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori","Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation","ACS Catalysis","2011","1","4","254","","10.1021/cs100148a","","","0.7107","MoKα","","","0.0413","","","","0.1053","","","","","","0.872","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501448","15.976","0.002","25.591","0.002","10.943","0.005","90","","102.3","0.02","90","","4371","2","223.2","","223.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C47 H59 Cl2 N2 O2 Ti -","- C47 H32 Cl2 N2 O2 Ti -","- C188 H128 Cl8 N8 O8 Ti4 -","4","1","","Terao, Hiroshi; Iwashita, Akihiko; Matsukawa, Naoto; Ishii, Seiichi; Mitani, Makoto; Tanaka, Hidetsugu; Nakano, Takashi; Fujita, Terunori","Ethylene and Ethylene/α-Olefin (Co)Polymerization Behavior of Bis(phenoxy−imine)Ti Catalysts: Significant Substituent Effects on Activity and Comonomer Incorporation","ACS Catalysis","2011","1","4","254","","10.1021/cs100148a","","","0.7107","MoKα","","0.0635","0.0635","","","0.1676","0.1676","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501449","7.8416","0.0014","13.964","0.002","9.5724","0.0016","90","","106.198","0.003","90","","1006.6","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Br N4 O5 -","- C20 H19 Br N4 O5 -","- C40 H38 Br2 N8 O10 -","2","1","","Hua, Qiu-Lin; Li, Chao; Wang, Xu-Fan; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing","Enantioselective Synthesis of Chromans with a Quaternary Stereogenic Centre through Catalytic Asymmetric Cascade Reactions","ACS Catalysis","2011","1","3","221","","10.1021/cs100161k","","","0.71073","MoKα","","0.0406","0.034","","","0.0769","0.079","","","","","","0.947","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501450","10.8363","0.0005","13.4156","0.0005","16.1656","0.0007","90","","96.788","0.001","90","","2333.61","0.17","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B N3 O3 Zn -","- C22 H32 B N3 O3 Zn -","- C88 H128 B4 N12 O12 Zn4 -","4","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.0308","0.0245","","","0.067","0.0704","","","","","","1.04","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501451","21.569","0.009","9.896","0.004","15.813","0.007","90","","106.292","0.006","90","","3240","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sad225","","","- C31 H42 B N3 O4.5 Zn -","- C29 H38 B N3 O4 Zn -","- C116 H152 B4 N12 O16 Zn4 -","4","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.056","0.0403","","","0.1033","0.1123","","","","","","0.834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501452","7.821","0.002","8.589","0.003","13.088","0.004","84.193","0.004","86.915","0.004","63.19","0.004","780.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Sad221_David","","","- C17 H20 O2 Si -","- C17 H20 O2 Si -","- C34 H40 O4 Si2 -","2","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.1013","0.0593","","","0.1372","0.1564","","","","","","1.034","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501453","7.7423","0.0004","12.8158","0.0007","13.6032","0.0008","90","","97.565","0.001","90","","1338.01","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sad220","","","- C13 H20 O2 Si -","- C13 H20 O2 Si -","- C52 H80 O8 Si4 -","4","1","","Mukherjee, Debabrata; Thompson, Richard R.; Ellern, Arkady; Sadow, Aaron D.","Coordinatively Saturated Tris(oxazolinyl)borato Zinc Hydride-Catalyzed Cross Dehydrocoupling of Silanes and Alcohols","ACS Catalysis","2011","1","7","698","","10.1021/cs2001016","","","0.71073","MoKα","","0.0405","0.0382","","","0.1036","0.106","","","","","","1.057","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501454","15.694","0.002","16.579","0.002","17.451","0.002","87.054","0.002","88.06","0.002","62.315","0.002","4015.2","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C53.33 H52 Co F6 N4 O6.67 S2.67 Sb -","- C53.3333 H52 Co F6 N4 O6.66667 S2.66667 Sb -","- C160 H156 Co3 F18 N12 O20 S8 Sb3 -","3","1.5","","Venkatasubbaiah, Krishnan; Zhu, Xunjin; Kays, Elizabeth; Hardcastle, Kenneth I.; Jones, Christopher W.","Co(III)-Porphyrin-Mediated Highly Regioselective Ring-Opening of Terminal Epoxides with Alcohols and Phenols","ACS Catalysis","2011","","","489","","10.1021/cs200114x","","","0.71073","MoKα","","0.1526","0.0794","","","0.2154","0.2639","","","","","","1.021","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501455","17.633","0.003","10.0494","0.0016","22.504","0.003","90","","97.714","0.003","90","","3951.6","1.1","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Hf N5 S -","- C41 H55 Hf N5 S -","- C164 H220 Hf4 N20 S4 -","4","1","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.0404","0.0307","","","0.0792","0.0824","","","","","","1.033","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501456","11.2458","0.001","13.4734","0.0011","13.5863","0.0011","67.489","0.002","81.795","0.002","88.766","0.002","1881","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Hf N2 S -","- C38 H46 Hf N2 S -","- C76 H92 Hf2 N4 S2 -","2","1","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.1059","0.0564","","","0.1563","0.1725","","","","","","1.018","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501457","14.4153","0.0019","14.2346","0.0019","16.653","0.002","90","","98.959","0.003","90","","3375.4","0.8","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Hf N4 O S -","- C35 H46 Hf N4 O S -","- C140 H184 Hf4 N16 O4 S4 -","4","1","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.0464","0.0301","","","0.0731","0.0782","","","","","","1.015","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501458","21.626","0.005","19.173","0.004","25.68","0.005","90","","108.965","0.004","90","","10070","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Hf N6 O -","- C48 H72 Hf N6 O -","- C384 H576 Hf8 N48 O8 -","8","2","","Diamond, Gary M.; Hall, Keith A.; LaPointe, Anne M.; Leclerc, Margarete K.; Longmire, James; Shoemaker, James A. W.; Sun, Pu","High-Throughput Discovery and Optimization of Hafnium Heteroaryl-amido Catalysts for the Isospecific Polymerization of Propylene","ACS Catalysis","2011","1","8","887","","10.1021/cs200180x","","","0.71073","MoKα","","0.2164","0.0813","","","0.1783","0.2299","","","","","","0.971","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501459","8.972","0.0002","9.6985","0.0002","18.4616","0.0003","100.458","0.001","94.892","0.001","90.021","0.001","1573.79","0.05","200","2","200","2","","","","","","","","7","P -1","-P 1","2","8 in manuscript","","","- C33 H49 Cl N O P Ru -","- C33 H49 Cl N O P Ru -","- C66 H98 Cl2 N2 O2 P2 Ru2 -","2","1","","Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael","A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica","ACS Catalysis","2011","1","8","872","","10.1021/cs2002109","","","0.71073","MoKα","","0.0861","0.0528","","","0.0828","0.0924","","","","","","1.057","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501460","16.7458","0.0015","16.9502","0.0015","14.9589","0.0013","90","","109.887","0.002","90","","3992.8","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","10 in manuscript","","","- C43 H50 Cl N3 O Ru -","- C43 H50 Cl N3 O Ru -","- C172 H200 Cl4 N12 O4 Ru4 -","4","1","","Schachner, Jörg A.; Cabrera, José; Padilla, Robin; Fischer, Christoph; van der Schaaf, Paul A.; Pretot, Roger; Rominger, Frank; Limbach, Michael","A Set of Olefin Metathesis Catalysts with Extraordinary Stickiness to Silica","ACS Catalysis","2011","1","8","872","","10.1021/cs2002109","","","0.71073","MoKα","","0.0579","0.0463","","","0.1058","0.1106","","","","","","1.096","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501461","7.944","0.004","8.854","0.004","16.032","0.007","79.805","0.009","81.63","0.012","80.763","0.011","1087.4","0.9","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 F5 N4 O4 Zn -","- C18 H20 F6 N4 O4 Zn -","- C36 H40 F12 N8 O8 Zn2 -","2","1","","Maegawa, Yusuke; Ohshima, Takashi; Hayashi, Yukiko; Agura, Kazushi; Iwasaki, Takanori; Mashima, Kazushi","Additive Effect ofN-Heteroaromatics on Transesterification Catalyzed by Tetranuclear Zinc Cluster","ACS Catalysis","2011","1","10","1178","","10.1021/cs200224b","","","0.71075","MoKα","","0.0615","0.0477","","","0.1315","0.1532","","","","","","1.058","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501462","13.76","0.003","24.958","0.006","14.913","0.004","90","","101.799","0.004","90","","5013","2","138","2","138","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 N2 O8 Pd Si2 -","- C42 H78 N2 O8 Pd Si2 -","- C168 H312 N8 O32 Pd4 Si8 -","4","1","","Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don","Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II)","ACS Catalysis","2011","1","10","1166","","10.1021/cs2002719","","","0.71073","MoKα","","0.078","0.0506","","","0.1108","0.1271","","","","","","1.066","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501463","33.989","0.004","9.3744","0.001","28.483","0.003","90","","121.11","0.001","90","","7770.2","1.5","128","2","128","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H54 N2 O4 Pd Si -","- C36.483 H51.669 N2 O4 Pd Si -","- C291.864 H413.352 N16 O32 Pd8 Si8 -","8","1","","Choi, Yeon S.; Moschetta, Eric G.; Miller, Jeffrey T.; Fasulo, Meg; McMurdo, Meredith J.; Rioux, Robert M.; Tilley, T. Don","Highly Dispersed Pd-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pd(II)","ACS Catalysis","2011","1","10","1166","","10.1021/cs2002719","","","0.71073","MoKα","","0.0465","0.0406","","","0.1316","0.1369","","","","","","1.602","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501464","8.8289","0.0008","32.679","0.003","16.3726","0.0015","90","","90","","90","","4723.8","0.7","123","2","123","2","","","","","","","","7","F d d 2","F 2 -2d","43","07218b","","","- C16 H30 F6 Fe N4 O6 S2 -","- C16 H30 F6 Fe N4 O6 S2 -","- C128 H240 F48 Fe8 N32 O48 S16 -","8","0.5","","Feng, Yan; England, Jason; Que, Lawrence","Iron-Catalyzed Olefin Epoxidation and cis-Dihydroxylation by Tetraalkylcyclam Complexes: the Importance of cis-Labile Sites","ACS Catalysis","2011","1","9","1035","","10.1021/cs200292h","","","0.71073","MoKα","","0.0224","0.0213","","","0.0544","0.0551","","","","","","1.097","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501465","7.7306","0.0015","10.879","0.002","13.935","0.003","87.26","0.03","78.61","0.03","82.14","0.03","1137.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl4 N3 Ni O2 -","- C20 H23 Cl4 N3 Ni O2 -","- C40 H46 Cl8 N6 Ni2 O4 -","2","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.0476","0.0443","","","0.1223","0.1246","","","","","","1.229","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501466","9.1206","0.0018","28.489","0.006","9.4194","0.0019","90","","116.45","0.03","90","","2191.3","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl2 N3 Ni O2 -","- C21 H25 Cl2 N3 Ni O2 -","- C84 H100 Cl8 N12 Ni4 O8 -","4","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.061","0.054","","","0.1043","0.1081","","","","","","1.168","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501467","8.4918","0.0017","11.126","0.002","14.794","0.003","107.41","0.03","103.11","0.03","96.34","0.03","1274.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Cl2 N3 Ni O2 -","- C21 H25 Cl2 N3 Ni O2 -","- C42 H50 Cl4 N6 Ni2 O4 -","2","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.0724","0.0644","","","0.1856","0.1924","","","","","","1.064","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501468","9.1269","0.0018","10.212","0.002","12.557","0.003","112.06","0.03","96.8","0.03","98.4","0.03","1053.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl3 N3 Ni0.5 O2 -","- C20 H23 Cl3 N3 Ni0.5 O2 -","- C40 H46 Cl6 N6 Ni O4 -","2","1","","Zhang, Liping; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis, Characterization, and Ethylene Polymerization Behavior of 8-(Nitroarylamino)-5,6,7-trihydroquinolylnickel Dichlorides: Influence of the Nitro Group and Impurities on Catalytic Activity","ACS Catalysis","2011","1","10","1213","","10.1021/cs200308b","","","0.71073","MoKα","","0.0753","0.0643","","","0.159","0.1703","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501469","8.5295","0.0006","10.4269","0.0007","29.0633","0.0019","90","","90","","90","","2584.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Zhang, Ye; Kuang, Yi; Gao, Yuan; Xu, Bing","Versatile small-molecule motifs for self-assembly in water and the formation of biofunctional supramolecular hydrogels.","Langmuir : the ACS journal of surfaces and colloids","2011","27","2","529","537","10.1021/la1020324","","","0.71073","MoKα","","0.0449","0.0354","","","0.0798","0.0835","","","","","","1.025","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501470","36.027","0.008","8.1258","0.0017","18.646","0.004","90","","90.241","0.006","90","","5459","2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-cyano-trans-1,2-bis-(4-carbazolyl)phenylethylene","","- C39 H25 N3 -","- C39 H25 N3 -","- C312 H200 N24 -","8","1","","Upamali, Karasinghe A. N.; Estrada, Leandro A.; De, Puran K.; Cai, Xichen; Krause, Jeanette A.; Neckers, Douglas C.","Carbazole-based cyano-stilbene highly fluorescent microcrystals.","Langmuir : the ACS journal of surfaces and colloids","2011","27","5","1573","1580","10.1021/la103894x","","","0.7749","synchrotron","","0.1061","0.0482","","","0.1082","0.1325","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501471","13.165","0.005","13.484","0.006","14.961","0.007","90","","100.422","0.01","90","","2612","2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H70 Nb2 O24 Re2 Ta2 -","- C28 H70 Nb2.398 O24 Ta3.602 -","- C56 H140 Nb4.796 O48 Ta7.204 -","2","0.5","","Nikonova, Olesya A.; Nedelec, Jean-Marie; Kessler, Vadim G.; Seisenbaeva, Gulaim A.","Precursor-directed assembly of complex oxide nanobeads: the role of strongly coordinated inorganic anions.","Langmuir : the ACS journal of surfaces and colloids","2011","27","18","11622","11628","10.1021/la2028719","","","0.71073","MoKα","","0.1842","0.0944","","","0.1896","0.2116","","","","","","1.072","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501472","14.063","0.006","14.446","0.006","17.076","0.008","90","","100.115","0.009","90","","3415","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H98 Nb4 O24 Re2 -","- C42 H98 Nb4 O24 Re2 -","- C84 H196 Nb8 O48 Re4 -","2","0.5","","Nikonova, Olesya A.; Nedelec, Jean-Marie; Kessler, Vadim G.; Seisenbaeva, Gulaim A.","Precursor-directed assembly of complex oxide nanobeads: the role of strongly coordinated inorganic anions.","Langmuir : the ACS journal of surfaces and colloids","2011","27","18","11622","11628","10.1021/la2028719","","","0.71073","MoKα","","0.1517","0.0928","","","0.2315","0.2484","","","","","","1.174","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501473","10.9918","0.0008","13.0925","0.0009","20.357","0.0013","90","","90","","90","","2929.6","0.3","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 F N6 O9 P -","- C24 H34 F N6 O9 P -","- C96 H136 F4 N24 O36 P4 -","4","1","","Chang, Wonsuk; Bao, Donghui; Chun, Byoung-Kwon; Naduthambi, Devan; Nagarathnam, Dhanapalan; Rachakonda, Suguna; Reddy, P. Ganapati; Ross, Bruce S.; Zhang, Hai-Ren; Bansal, Shalini; Espiritu, Christine L.; Keilman, Meg; Lam, Angela M.; Niu, Congrong; Steuer, Holly Micolochick; Furman, Phillip A.; Otto, Michael J.; Sofia, Michael J.","Discovery of PSI-353661, a Novel Purine Nucleotide Prodrug for the Treatment of HCV Infection","ACS Medicinal Chemistry Letters","2011","2","2","130","","10.1021/ml100209f","","","0.71073","MoKα","","0.0259","0.0244","","","0.0657","0.0669","","","","","","1.059","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501474","13.378","0.003","6.5197","0.0012","22.033","0.004","90","","93.028","0.003","90","","1919","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09047b","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","2","","Leighty, Matthew W.; Georg, Gunda I.","Total Syntheses and Cytotoxicity of (R)- and (S)-Boehmeriasin A.","ACS medicinal chemistry letters","2011","2","4","313","315","10.1021/ml1003074","","","0.71073","MoKα","","0.0617","0.0428","","","0.1058","0.1185","","","","","","1.03","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4510887","7.3934","0.0002","27.5812","0.0006","10.5964","0.0003","90","","109.234","0.003","90","","2040.19","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N2 O2.5 -","- C22 H37 N2 O2.5 -","- C88 H148 N8 O10 -","4","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0379","0.0327","","","0.0701","0.0711","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510888","19.454","0.0007","18.7009","0.0008","10.8348","0.0004","90","","90","","90","","3941.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C168 H256 N16 O8 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0718","0.0487","","","0.1033","0.1149","","","","","","1.024","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510889","10.4243","0.001","7.4432","0.0005","27.018","0.002","90","","94.069","0.009","90","","2091","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22.5 H36.5 N2.5 O2 -","- C22.5 H36.5 N2.5 O2 -","- C90 H146 N10 O8 -","4","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0668","0.0493","","","0.1208","0.1327","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510890","7.1392","0.0005","10.9541","0.0008","26.8891","0.0016","90","","90","","90","","2102.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 N2 O2 -","- C23 H38 N2 O2 -","- C92 H152 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0993","0.055","","","0.0705","0.0894","","","","","","0.892","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510891","10.3775","0.0008","7.4347","0.0006","15.5801","0.0008","90","","91.895","0.006","90","","1201.4","0.15","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H40 N2 O5 -","- C25 H40 N2 O5 -","- C50 H80 N4 O10 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0921","0.0504","","","0.0824","0.09","","","","","","0.875","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510892","24.545","0.001","7.2894","0.0003","15.25","0.0008","90","","122.679","0.007","90","","2296.6","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H40 N2 O2 -","- C24 H40 N2 O2 -","- C96 H160 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0375","0.0318","","","0.0725","0.0739","","","","","","0.98","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510893","7.5672","0.0003","19.6475","0.0009","26.3375","0.0009","90","","90","","90","","3915.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21.5 H32 N2.5 O1.5 -","- C21.5 H32 N2.5 O1.5 -","- C172 H256 N20 O12 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0852","0.0476","","","0.1086","0.1176","","","","","","0.909","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510894","10.5093","0.0003","7.2906","0.0002","15.5622","0.0005","90","","94.812","0.003","90","","1188.16","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H44 N2 O4 -","- C24 H44 N2 O4 -","- C48 H88 N4 O8 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0397","0.0332","","","0.0733","0.0747","","","","","","0.973","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510895","7.3164","0.0004","21.562","0.002","24.0058","0.0011","90","","90","","90","","3787.1","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C168 H256 N16 O8 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.1056","0.038","","","0.0616","0.0703","","","","","","0.756","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510896","7.233","0.002","11.85","0.002","48.672","0.002","90","","90","","90","","4171.7","1.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23.5 H34.5 N2.5 O -","- C23.5 H34.5 N2.5 O -","- C188 H276 N20 O8 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0962","0.0679","","","0.1132","0.1223","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510897","7.2098","0.0005","10.4654","0.0007","26.0313","0.0013","90","","90","","90","","1964.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N2 O2 -","- C21 H34 N2 O2 -","- C84 H136 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.072","0.0372","","","0.0631","0.0676","","","","","","0.801","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510898","25.321","0.002","7.421","0.002","15.393","0.002","90","","123.4","","90","","2414.8","0.7","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H42 N2 O2 -","- C25 H42 N2 O2 -","- C100 H168 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0691","0.0503","","","0.129","0.1418","","","","","","1.039","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510900","6.0397","0.0009","15.037","0.001","18.109","0.002","90","","99.52","0.01","90","","1622","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br8 N4 O4 Sb2 -","- C20 H16 Br8 N4 O4 Sb2 -","- C40 H32 Br16 N8 O8 Sb4 -","2","0.5","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","","0.0389","","","","0.0811","","","","","","1.041","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510901","9.522","0.001","15.132","0.0005","15.646","0.002","116.111","0.006","99.342","0.008","91.892","0.006","1983.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Bi4 Br18 N10 O12 -","- C50 H40 Bi4 Br18 N10 O12 -","- C50 H40 Bi4 Br18 N10 O12 -","1","0.5","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","","0.0631","","","","0.1816","","","","","","1.082","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510902","9.552","0.001","15.0481","0.0005","15.256","0.001","115.358","0.006","98.472","0.007","92.445","0.008","1946.2","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Bi4 Br18 N10 O10 -","- C50 H40 Bi4 Br18 N10 O10 -","- C50 H40 Bi4 Br18 N10 O10 -","1","0.5","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","","0.0471","","","","0.1254","","","","","","1.039","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510903","7.0757","0.0001","16.7851","0.0002","9.8164","0.0001","90","","94.27","0.01","90","","1162.62","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cl2 N2 O2 -","- C10 H10 Cl2 N2 O2 -","- C40 H40 Cl8 N8 O8 -","4","1","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","0.0727","0.0366","","","0.0797","0.0962","","","","","","1.074","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510904","7.3066","0.0008","9.8027","0.0005","16.057","0.001","90","","90","","90","","1150.07","0.16","293","2","293","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C10 H10 Cl2 N2 O2 -","- C10 H10 Cl2 N2 O2 -","- C40 H40 Cl8 N8 O8 -","4","0.5","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","0.0835","0.04","","","0.0718","0.0853","","","","","","1.075","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510906","16.602","0.003","10.546","0.002","7.07","0.0014","90","","99.3","0.03","90","","1221.6","0.4","150","2","150","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","Orcinol:Urea","","","- C9 H16 N4 O4 -","- C9 H16 N4 O4 -","- C36 H64 N16 O16 -","4","0.5","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.1041","0.088","","","0.2638","0.287","","","","","","1.173","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510907","17.213","0.003","8.478","0.0017","21.65","0.004","90","","91.04","0.03","90","","3158.9","1","150","2","150","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","Orcinol:N,NdimethylaminoPyridne","","","- C29 H37 Cl3 N4 O4 -","- C29 H37 Cl3 N4 O4 -","- C116 H148 Cl12 N16 O16 -","4","0.5","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0722","0.0658","","","0.192","0.204","","","","","","1.042","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510908","7.8586","0.0019","8.1455","0.0019","16.239","0.004","83.929","0.006","81.521","0.006","86.524","0.006","1021.3","0.4","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol: N,N-dimethyl,4-aminopyridine","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C42 H56 N8 O4 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.1706","0.1087","","","0.2962","0.3372","","","","","","1.063","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510909","6.9967","0.0014","8.5801","0.0017","13.531","0.003","90","","95.16","0.03","90","","809","0.3","150","2","150","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","Orcinol:Pyrazine","","","- C9 H10 N O2 -","- C9 H10 N O2 -","- C36 H40 N4 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.041","0.0377","","","0.1029","0.1052","","","","","","1.08","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510910","13.845","0.003","9.6116","0.0017","15.059","0.003","90","","97.096","0.007","90","","1988.6","0.7","150","2","150","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","Orcinol:N,NdimethylaminoPyridne","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C84 H112 N16 O8 -","4","0.5","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.054","0.0415","","","0.1055","0.1125","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510911","7.495","0.002","17.596","0.005","14.389","0.004","90","","97.656","0.007","90","","1880.7","0.9","150","2","150","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Orcinol:4-CyanoPyridine","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0682","0.0489","","","0.127","0.1379","","","","","","1.049","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510912","7.837","0.002","9.702","0.003","17.83","0.005","98.229","0.007","100.908","0.007","103.819","0.007","1267.2","0.6","150","2","150","","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Acridine","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.1661","0.107","","","0.272","0.3193","","","","","","1.014","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510913","8.7636","0.0007","10.9081","0.0009","13.3171","0.0011","112.508","0.008","104.169","0.007","92.57","0.007","1126.56","0.18","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Pyrimidine","","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0561","0.0457","","","0.1168","0.1242","","","","","","1.054","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510914","7.2456","0.0012","12.316","0.002","12.59","0.002","90","","96.268","0.007","90","","1116.8","0.3","150","2","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","Orcinol:Piperazine","","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C44 H72 N8 O8 -","4","0.5","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0416","0.0396","","","0.1116","0.1127","","","","","","1.12","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510915","20.06","0.003","20.06","0.003","6.423","0.0013","90","","90","","90","","2584.6","0.8","150","2","150","","","","","","","","see text","3","I -4","I -4","82","Orcinol","","","- C7 H8 O2 -","- C7 H8 O2 -","- C112 H128 O32 -","16","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0826","0.0564","","","0.1439","0.2169","","","","","","1.059","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510916","8.176","0.0016","9.294","0.0019","16.888","0.003","102.32","0.03","102.03","0.03","93.53","0.03","1218.6","0.5","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Phenazine","","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C62 H48 N8 O4 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.1622","0.0804","","","0.1359","0.1747","","","","","","1.061","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510917","9.899","0.002","7.951","0.0016","9.1707","0.0018","90","","96.88","0.03","90","","716.6","0.3","150","2","150","2","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","Orcinol:H2O","","","- C7 H10 O3 -","- C7 H10 O3 -","- C28 H40 O12 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.0525","0.0436","","","0.1267","0.1441","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510918","8.4494","0.0009","12.362","0.0013","19.748","0.002","83.323","0.007","77.689","0.007","89.497","0.006","2001.3","0.4","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol:aminodimethylpyrimidine","","","- C19 H26 N6 O2 -","- C19 H26 N6 O2 -","- C76 H104 N24 O8 -","4","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","","0.71075","MoKα","","0.1331","0.0641","","","0.1584","0.1938","","","","","","1.015","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510919","9.339","0.0007","25.441","0.002","13.7503","0.0011","90","","90","","90","","3267","0.4","150","2","150","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Orcinol:Acridine Hydrate","","","- C20 H18 N O2.5 -","- C20 H18 N O2.5 -","- C160 H144 N8 O20 -","8","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0446","0.041","","","0.0956","0.0976","","","","","","1.06","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510920","13.783","0.007","13.52","0.007","15.981","0.006","90","","124.11","0.03","90","","2466","2","150","2","150","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Orcinol:Phenantrholine","","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C124 H96 N16 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0574","0.047","","","0.1235","0.1373","","","","","","1.116","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510921","7.2","0.0014","7.5989","0.0015","35.894","0.007","90","","91.01","0.03","90","","1963.5","0.7","150","2","150","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","Orcinol:1245Tetracyanobenzene","","","- C22 H11 N6 O2 -","- C22 H11 N6 O2 -","- C88 H44 N24 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.0817","0.0571","","","0.1669","0.1987","","","","","","1.081","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510922","17.572","0.003","21.702","0.004","7.065","0.0014","90","","90","","90","","2694.2","0.9","150","2","150","","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","OrcinolHexamine","","","- C13 H20 N4 O2 -","- C13 H20 N4 O2 -","- C104 H160 N32 O16 -","8","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.0474","0.0408","","","0.1244","0.1421","","","","","","1.11","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510923","10.498","0.008","8.887","0.007","15.557","0.009","90","","113.8","0.04","90","","1328","1.7","150","2","150","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Orcinol:4(N,N-dimethylaminopyridine","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0533","0.0465","","","0.124","0.1295","","","","","","1.069","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510924","7.926","0.0016","12.56","0.003","16.75","0.003","96.16","0.03","99.97","0.03","98.56","0.03","1608.8","0.6","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Nicotinamide","","","- C31 H34 N8 O7 -","- C31 H34 N8 O7 -","- C62 H68 N16 O14 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.3593","0.1323","","","0.2927","0.4461","","","","","","1.007","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510925","13.784","0.014","16.174","0.017","24.55","0.02","90","","90","","90","","5473","9","150","2","150","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","Orcinol form II","","","- C7 H8 O2 -","- C7 H8 O2 -","- C224 H256 O64 -","32","8","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.11","0.0927","","","0.2247","0.2428","","","","","","1.233","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510926","33.63","0.007","7.26","0.0015","15.358","0.003","90","","95.65","0.03","90","","3731.5","1.3","150","","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","Orcinol:Isonicotinamide","","","- C19 H20 N4 O4 -","- C19 H20 N4 O4 -","- C152 H160 N32 O32 -","8","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.0717","0.0554","","","0.1461","0.1661","","","","","","1.161","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510927","8.2817","0.0012","10.9094","0.0012","16.6","0.002","99.961","0.009","96.163","0.007","93.253","0.005","1464.3","0.3","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","(Orcinol:Nicotinamide)","","","- C31 H32 N8 O6 -","- C31 H32 N8 O6 -","- C62 H64 N16 O12 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.1042","0.0537","","","0.116","0.135","","","","","","0.994","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510928","8.29","0.0017","9.99","0.002","12.69","0.003","104.66","0.03","103.82","0.03","96.33","0.03","970.9","0.4","150","2","150","","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Quinoxaline2:1","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.1798","0.1056","","","0.2542","0.338","","","","","","1.087","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510929","7.0702","0.0014","14.274","0.003","19.73","0.004","90","","99.05","0.03","90","","1966.4","0.7","150","2","150","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Orcinol:Quinoxaline","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C92 H80 N16 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.1038","0.0676","","","0.1562","0.1831","","","","","","1.149","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510930","6.5942","0.0004","13.5455","0.0009","8.0423","0.0003","90","","90","","90","","718.35","0.07","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","phloroglucinol dihydrate","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","0.5","","Thomas, Lynne H.; Craig, Gavin A.; Morrison, Carole A.; Reilly, Anthony M.; Wilson, Chick C.","New Route to Local Order Models for Disordered Crystalline Materials: Diffuse Scattering and Computational Modeling of Phloroglucinol Dihydrate","Crystal Growth & Design","2011","11","6","2045","","10.1021/cg101704h","","","0.71075","MoKα","","0.0362","0.0357","","","","0.1086","","","","","","1.132","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510931","7.2028","0.0002","11.7764","0.0003","17.1677","0.0005","90","","90","","90","","1456.22","0.07","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Thomas, Lynne H.; Wales, Craig; Zhao, Lihua; Wilson, Chick C.","Paracetamol Form II: An Elusive Polymorph through Facile Multicomponent Crystallization Routes","Crystal Growth & Design","2011","11","5","1450","","10.1021/cg2002018","","","0.71073","MoKα","","0.0593","0.0471","","","0.1306","0.1394","","","","","","1.206","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510932","12.5115","0.0004","7.3273","0.0002","12.6648","0.0004","90","","100.052","0.002","90","","1143.23","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Zipp, Caitlin F.; Fernandes, Manuel. A.; Marques, Helder M.; Michael, Joseph P.; Perry, Christopher B.","Polymorphs ofN-[2-(Hydroxymethyl)phenyl]benzamide: Structural Characterization and Analysis of Molecule···Molecule Interactions by Means of Atom−Atom Potentials and DFT","Crystal Growth & Design","2011","11","5","1431","","10.1021/cg101733u","","","0.71073","MoKα","","0.0542","0.0417","","","0.0977","0.105","","","","","","1.007","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510933","5.1936","0.0006","13.2328","0.0014","17.0316","0.0017","90","","90.125","0.004","90","","1170.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Zipp, Caitlin F.; Fernandes, Manuel. A.; Marques, Helder M.; Michael, Joseph P.; Perry, Christopher B.","Polymorphs ofN-[2-(Hydroxymethyl)phenyl]benzamide: Structural Characterization and Analysis of Molecule···Molecule Interactions by Means of Atom−Atom Potentials and DFT","Crystal Growth & Design","2011","11","5","1431","","10.1021/cg101733u","","","0.71073","MoKα","","0.1067","0.0555","","","0.1193","0.137","","","","","","1.053","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510935","7.584","0.004","13.088","0.007","6.198","0.003","90","","90","","90","","615.2","0.5","90","1","90","1","","","","","","","see text","3","P n a 21","P 2c -2n","33","","","","- C8 H5 F -","- C8 H5 F -","- C32 H20 F4 -","4","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.0912","0.0636","","","0.1338","0.1435","","","","","","1.024","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510936","6.0163","0.0011","13.997","0.003","22.244","0.004","90","","90.304","0.004","90","","1873.1","0.6","90","1","90","1","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 F -","- C8 H5 F -","- C96 H60 F12 -","12","3","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.1144","0.0595","","","0.133","0.1502","","","","","","1.009","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510937","7.101","0.002","6.5984","0.0018","13.273","0.004","90","","99.882","0.004","90","","612.7","0.3","90","1","90","1","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 F -","- C8 H5 F -","- C32 H20 F4 -","4","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.0438","0.0416","","","0.1027","0.1038","","","","","","1.151","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510938","7.0506","0.0015","5.932","0.0013","7.4848","0.0016","90","","103.46","0.003","90","","304.45","0.11","90","1","90","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.0388","0.0363","","","0.1043","0.106","","","","","","1.087","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510939","3.868","0.003","5.941","0.004","13.486","0.009","90","","98.089","0.012","90","","306.8","0.4","90","1","90","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.1019","0.0673","","","0.1448","0.1582","","","","","","1.009","","","","has coordinates","179656","2020-10-21","18:00:00",""
"7014299","9.2992","0.0019","15.585","0.003","19.286","0.004","91.2","0.03","100.97","0.03","93.38","0.03","2737.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H62 Cu4 N10 O24 -","- C45 H62 Cu4 N10 O24 -","- C90 H124 Cu8 N20 O48 -","2","1","","Zheng, Yue-Qing; Cheng, De-Yi; Liu, Bin-Bin; Huang, Wen-Xiang","New Cu(II) complexes based on the hydroxo-bridged dinuclear [Cu(OH)2Cu] units: step-like di- and trimerizations of [Cu(OH)2Cu] units.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","277","286","10.1039/b916719f","","","0.71073","MoKα","","0.0693","0.0379","","","0.1058","0.1247","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014300","16.771","0.003","14.274","0.003","27.846","0.006","90","","93.9","0.03","90","","6651","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H84 Cu4 N8 O30 -","- C50 H84 Cu4 N8 O30 -","- C200 H336 Cu16 N32 O120 -","4","1","","Zheng, Yue-Qing; Cheng, De-Yi; Liu, Bin-Bin; Huang, Wen-Xiang","New Cu(II) complexes based on the hydroxo-bridged dinuclear [Cu(OH)2Cu] units: step-like di- and trimerizations of [Cu(OH)2Cu] units.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","277","286","10.1039/b916719f","","","0.71073","MoKα","","0.1746","0.1097","","","0.2449","0.2713","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014301","9.5976","0.0019","12.781","0.003","13.532","0.003","79.9","0.03","75.4","0.03","76.63","0.03","1550.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Cu4 N10 O22 -","- C54 H62 Cu4 N10 O22 -","- C54 H62 Cu4 N10 O22 -","1","0.5","","Zheng, Yue-Qing; Cheng, De-Yi; Liu, Bin-Bin; Huang, Wen-Xiang","New Cu(II) complexes based on the hydroxo-bridged dinuclear [Cu(OH)2Cu] units: step-like di- and trimerizations of [Cu(OH)2Cu] units.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","277","286","10.1039/b916719f","","","0.71073","MoKα","","0.0707","0.0545","","","0.1545","0.1628","","","","","","1.332","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014302","10.9","0.002","11.965","0.002","15.477","0.003","98.08","0.03","108.35","0.03","94.36","0.03","1881.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Cu6 N18 O32 -","- C60 H54 Cu6 N18 O32 -","- C60 H54 Cu6 N18 O32 -","1","0.5","","Zheng, Yue-Qing; Cheng, De-Yi; Liu, Bin-Bin; Huang, Wen-Xiang","New Cu(II) complexes based on the hydroxo-bridged dinuclear [Cu(OH)2Cu] units: step-like di- and trimerizations of [Cu(OH)2Cu] units.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","277","286","10.1039/b916719f","","","0.71073","MoKα","","0.1175","0.0754","","","0.2368","0.2722","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014303","16.725","0.003","17.232","0.003","21.155","0.004","92.81","0.03","90.63","0.03","118.6","0.03","5342","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H124 Cu6 N12 O32 -","- C108 H124 Cu6 N12 O32 -","- C216 H248 Cu12 N24 O64 -","2","1","","Zheng, Yue-Qing; Cheng, De-Yi; Liu, Bin-Bin; Huang, Wen-Xiang","New Cu(II) complexes based on the hydroxo-bridged dinuclear [Cu(OH)2Cu] units: step-like di- and trimerizations of [Cu(OH)2Cu] units.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","277","286","10.1039/b916719f","","","0.71073","MoKα","","0.0736","0.0596","","","0.1689","0.1784","","","","","","1.213","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014304","25.099","0.005","15.666","0.005","19.433","0.005","90","0.005","129.327","0.005","90","0.005","5911","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","organotin sulfonate","","","- C28 H32 N2 O8 S2 Sn -","- C28 H32 N2 O8 S2 Sn -","- C224 H256 N16 O64 S16 Sn8 -","8","1","","Chandrasekhar, Vadapalli; Singh, Puja","Reactions of in situ generated hydrated organotin cations with chelating O,O- or O,N-ligands: a possible structure-directing influence of the organic substituent on tin.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","114","123","10.1039/c003339a","","","0.71069","MoKα","","0.0521","0.0429","","","0.1155","0.1276","","","","","","1.083","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014305","18.2329","0.0013","11.0763","0.0008","18.0241","0.0013","90","","99.374","0.001","90","","3591.4","0.4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","organotin sulfonate","","","- C34 H38 N2 O13 S2 Sn -","- C34 H38 N2 O13 S2 Sn -","- C136 H152 N8 O52 S8 Sn4 -","4","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","Reactions of in situ generated hydrated organotin cations with chelating O,O- or O,N-ligands: a possible structure-directing influence of the organic substituent on tin.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","114","123","10.1039/c003339a","","","0.71073","MoKα","","0.0289","0.0271","","","0.0654","0.0665","","","","","","1.075","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014306","10.526","0.005","11.739","0.005","18.285","0.005","92.53","0.005","103.242","0.005","100.479","0.005","2153.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","organotin sulfonate","","","- C42 H40 N4 O14 S2 Sn -","- C42 H40 N4 O14 S2 Sn -","- C84 H80 N8 O28 S4 Sn2 -","2","1","","Chandrasekhar, Vadapalli; Singh, Puja","Reactions of in situ generated hydrated organotin cations with chelating O,O- or O,N-ligands: a possible structure-directing influence of the organic substituent on tin.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","114","123","10.1039/c003339a","","","0.71069","MoKα","","0.0576","0.0473","","","0.1244","0.1356","","","","","","1.029","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014307","33.071","0.005","11.224","0.005","37.192","0.005","90","0.005","114.09","0.005","90","0.005","12603","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","organotin sulfonate","","","- C68 H72 O12 P4 S2 Sn -","- C68 H61 O12 P4 S2 Sn -","- C544 H488 O96 P32 S16 Sn8 -","8","1","","Chandrasekhar, Vadapalli; Singh, Puja","Reactions of in situ generated hydrated organotin cations with chelating O,O- or O,N-ligands: a possible structure-directing influence of the organic substituent on tin.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","114","123","10.1039/c003339a","","","0.71069","MoKα","","0.0857","0.0537","","","0.122","0.139","","","","","","1.007","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014308","15.154","0.005","11.657","0.005","19.051","0.005","90","0.005","112.254","0.005","90","0.005","3114.7","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","organotin sulfonate","","","- C72 H60 O10 P4 S2 Sn -","- C72 H60 O10 P4 S2 Sn -","- C144 H120 O20 P8 S4 Sn2 -","2","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","Reactions of in situ generated hydrated organotin cations with chelating O,O- or O,N-ligands: a possible structure-directing influence of the organic substituent on tin.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","114","123","10.1039/c003339a","","","0.71069","MoKα","","0.055","0.044","","","0.1087","0.1229","","","","","","1.094","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014309","25.783","0.005","8.597","0.005","24.133","0.005","90","0.005","116.27","0.005","90","0.005","4797","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","organotin sulfonate","","","- C44 H58 N2 O10 S2 Sn2 -","- C44 H52 N2 O10 S2 Sn2 -","- C176 H208 N8 O40 S8 Sn8 -","4","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","Reactions of in situ generated hydrated organotin cations with chelating O,O- or O,N-ligands: a possible structure-directing influence of the organic substituent on tin.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","114","123","10.1039/c003339a","","","0.71069","MoKα","","0.0967","0.055","","","0.144","0.1956","","","","","","1.01","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014310","21.609","0.003","12.869","0.002","15.323","0.003","90","","98.35","0.013","90","","4215.9","1.2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","hydro-(tris-3-t-butyl-5-methylpyrazolyl)borate samarium iodide bis THF adduct","","","- C34 H61 B I N6 O2.5 Sm -","- C34 H61 B I N6 O2.5 Sm -","- C136 H244 B4 I4 N24 O10 Sm4 -","4","0.5","","Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef","Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","195","210","10.1039/c0dt00162g","","","0.71073","MoKα","","0.0615","0.0434","","","0.0951","0.1014","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014311","10.581","0.002","21.078","0.006","16.443","0.004","90","","90.7","0.019","90","","3666.9","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(tris-3-t-butyl-5-methylpyrazolyl)borate ytterbium iodide t- butylisonitrile","","","- C29 H49 B I N7 Yb -","- C29 H49 B I N7 Yb -","- C116 H196 B4 I4 N28 Yb4 -","4","1","","Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef","Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","195","210","10.1039/c0dt00162g","","","0.71073","MoKα","","0.0542","0.0385","","","0.0809","0.0878","","","","","","1.088","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014312","12.1033","0.0009","16.3329","0.0013","16.7012","0.0013","65.792","0.001","70.674","0.001","89.696","0.002","2808.7","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H95 B N6 O Si2 Sm -","- C35 H67 B N6 O Si2 Sm -","- C70 H134 B2 N12 O2 Si4 Sm2 -","2","1","","Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef","Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","195","210","10.1039/c0dt00162g","","","0.71073","MoKα","","0.0777","0.0532","","","0.1108","0.1175","","","","","","0.954","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014313","17.8391","0.0018","11.9006","0.0012","24.176","0.003","90","","106.688","0.0017","90","","4916.3","0.9","193","2","193","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C41.5 H71 B N6 Si2 Sm -","- C34.5 H63 B N6 Si2 Sm -","- C138 H252 B4 N24 Si8 Sm4 -","4","1","","Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef","Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","195","210","10.1039/c0dt00162g","","","0.71073","MoKα","","0.0752","0.051","","","0.1273","0.1347","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014314","16.487","0.005","18.263","0.005","27.122","0.008","90","","92.32","0.006","90","","8160","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H64 B N6 O0.5 Si2 Yb -","- C33 H64 B N6 O0.5 Si2 Yb -","- C264 H512 B8 N48 O4 Si16 Yb8 -","8","1","","Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef","Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","195","210","10.1039/c0dt00162g","","","0.71069","MoKα","","0.0494","0.0405","","","0.0953","0.1016","","","","","","1.093","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014315","10.9336","0.0011","13.1957","0.0013","14.0307","0.0012","83.721","0.007","71.087","0.008","86.607","0.008","1902.9","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H59 B N6 O Si Yb -","- C32 H59 B N6 O Si Yb -","- C64 H118 B2 N12 O2 Si2 Yb2 -","2","1","","Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef","Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","195","210","10.1039/c0dt00162g","","","0.71073","MoKα","","0.0453","0.0329","","","0.08","0.084","","","","","","1.032","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014316","14.229","0.007","14.689","0.009","16.264","0.004","90","","90","","90","","3399","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H38 B I N6 O2 Yb -","- C23 B I N6 O2 Yb -","- C92 B4 I4 N24 O8 Yb4 -","4","0.5","","Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef","Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","195","210","10.1039/c0dt00162g","","","0.71073","MoKα","","","0.073","","","0.098","","","","","","","1.93","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014317","13.638","0.0003","23.6172","0.0005","7.2459","0.0001","90","","96.1919","0.0012","90","","2320.23","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cu N3 O7 -","- C23 H25 Cu N3 O7 -","- C92 H100 Cu4 N12 O28 -","4","1","","Monfared, Hassan Hosseini; Vahedpour, Morteza; Yeganeh, Mahdi Mahdavi; Ghorbanloo, Massomeh; Mayer, Peter; Janiak, Christoph","Concentration dependent tautomerism in green [Cu(HL¹)(L²)] and brown [Cu(L¹)(HL²)] with H₂L¹ = (E)-N'-(2-hydroxy-3-methoxybenzylidene)benzoylhydrazone and HL² = pyridine-4-carboxylic (isonicotinic) acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1286","1294","10.1039/c0dt00371a","","","0.71073","MoKα","","0.0511","0.0351","","","0.0862","0.0935","","","","","","1.049","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014318","4.7333","0.0003","16.052","0.001","24.2371","0.001","90","","94.195","0.005","90","","1836.58","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cu N3 O5 -","- C21 H17 Cu N3 O5 -","- C84 H68 Cu4 N12 O20 -","4","1","","Monfared, Hassan Hosseini; Vahedpour, Morteza; Yeganeh, Mahdi Mahdavi; Ghorbanloo, Massomeh; Mayer, Peter; Janiak, Christoph","Concentration dependent tautomerism in green [Cu(HL¹)(L²)] and brown [Cu(L¹)(HL²)] with H₂L¹ = (E)-N'-(2-hydroxy-3-methoxybenzylidene)benzoylhydrazone and HL² = pyridine-4-carboxylic (isonicotinic) acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1286","1294","10.1039/c0dt00371a","","","0.71073","MoKα","","0.0943","0.0404","","","0.0675","0.0773","","","","","","0.871","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014319","9.3095","0.001","13.4294","0.001","17.4556","0.0015","92.96","0.007","101.96","0.008","102.545","0.008","2073.3","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H84 Cl6 F12 K2 N2 O19 P2 -","- C74 H84 Cl6 F12 K2 N2 O19 P2 -","- C74 H84 Cl6 F12 K2 N2 O19 P2 -","1","0.5","","Yen, Ming-Liang; Chen, Nai-Chia; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Controlling the rotation of a complexed guest within a molecular cage.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2163","2166","10.1039/c0dt00375a","","","1.54178","CuKα","","0.2069","0.1417","","","0.3387","0.3727","","","","","","1.953","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014320","12.3293","0.0004","13.3179","0.0005","13.9601","0.0005","106.715","0.003","96.272","0.003","93.438","0.003","2172.18","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H86 Cl2 F6 N2 O22 -","- C77 H86 Cl2 F6 N2 O22 -","- C77 H86 Cl2 F6 N2 O22 -","1","0.5","","Yen, Ming-Liang; Chen, Nai-Chia; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Controlling the rotation of a complexed guest within a molecular cage.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2163","2166","10.1039/c0dt00375a","","","1.54178","CuKα","","0.1786","0.1688","","","0.4053","0.4102","","","","","","1.591","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014321","9.3277","0.0005","13.4654","0.0004","17.3928","0.0006","92.66","0.003","102.016","0.004","102.569","0.004","2075.84","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H82 F12 K2 N2 O18 P2 -","- C72 H82 F12 K2 N2 O18 P2 -","- C72 H82 F12 K2 N2 O18 P2 -","1","0.5","","Yen, Ming-Liang; Chen, Nai-Chia; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Controlling the rotation of a complexed guest within a molecular cage.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2163","2166","10.1039/c0dt00375a","","","1.54178","CuKα","","0.1445","0.1133","","","0.2674","0.2866","","","","","","0.977","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014322","12.3239","0.0018","13.3177","0.0018","13.939","0.002","106.705","0.012","96.177","0.012","93.527","0.012","2168.2","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H84 F6 N2 O22 -","- C76 H84 F6 N2 O22 -","- C76 H84 F6 N2 O22 -","1","0.5","","Yen, Ming-Liang; Chen, Nai-Chia; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Controlling the rotation of a complexed guest within a molecular cage.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2163","2166","10.1039/c0dt00375a","","","1.54178","CuKα","","0.1357","0.129","","","0.3204","0.3262","","","","","","1.209","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014323","9.7344","0.0015","19.113","0.003","20.446","0.003","64.979","0.002","84.17","0.002","88.836","0.002","3428.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H50 N6 O8 Zr2 -","- C24 H50 N6 O8 Zr2 -","- C96 H200 N24 O32 Zr8 -","4","2","","Baumann, Stefan O.; Puchberger, Michael; Schubert, Ulrich","Oximate-substituted zirconium alkoxides.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1401","1406","10.1039/c0dt00384k","","","0.71073","MoKα","","0.0658","0.0459","","","0.1317","0.1389","","","","","","1.069","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014324","14.545","0.002","18.251","0.003","15.208","0.002","90","","101.557","0.002","90","","3955.3","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 N6 O8 Zr2 -","- C30 H62 N6 O8 Zr2 -","- C120 H248 N24 O32 Zr8 -","4","0.5","","Baumann, Stefan O.; Puchberger, Michael; Schubert, Ulrich","Oximate-substituted zirconium alkoxides.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1401","1406","10.1039/c0dt00384k","","","0.71073","MoKα","","0.0573","0.0424","","","0.1141","0.1223","","","","","","1.081","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014325","10.506","0.003","10.728","0.003","10.954","0.003","100.974","0.004","112.554","0.004","91.132","0.004","1113.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H74 N6 O8 Zr2 -","- C42 H74 N6 O8 Zr2 -","- C42 H74 N6 O8 Zr2 -","1","0.5","","Baumann, Stefan O.; Puchberger, Michael; Schubert, Ulrich","Oximate-substituted zirconium alkoxides.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1401","1406","10.1039/c0dt00384k","","","0.71073","MoKα","","0.0885","0.0504","","","0.1086","0.1241","","","","","","1.007","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014326","12.8858","0.0011","25.158","0.002","25.611","0.002","90","","90.299","0.002","90","","8302.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H134 Cl2 N6 O15 Zr4 -","- C69 H134 Cl2 N6 O15 Zr4 -","- C276 H536 Cl8 N24 O60 Zr16 -","4","1","","Baumann, Stefan O.; Puchberger, Michael; Schubert, Ulrich","Oximate-substituted zirconium alkoxides.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1401","1406","10.1039/c0dt00384k","","","0.71073","MoKα","","0.0839","0.0503","","","0.1127","0.1309","","","","","","1.075","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014327","9.7969","0.0003","10.1177","0.0003","12.0404","0.0004","73.675","0.003","84.554","0.002","88.97","0.002","1140.13","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.5 H25 Dy O12 -","- C18.5 H25 Dy O12 -","- C37 H50 Dy2 O24 -","2","1","","Milanov, Andrian P.; Seidel, Rüdiger W; Barreca, Davide; Gasparotto, Alberto; Winter, Manuela; Feydt, Jürgen; Irsen, Stephan; Becker, Hans-Werner; Devi, Anjana","Malonate complexes of dysprosium: synthesis, characterization and application for LI-MOCVD of dysprosium containing thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","62","78","10.1039/c0dt00455c","","","0.71073","MoKα","","0.0356","0.0247","","","0.0389","0.04","","","","","","0.916","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014328","13.6306","0.0003","13.6562","0.0002","14.243","0.0003","86.873","0.002","86.606","0.002","81.801","0.002","2616.67","0.09","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H66 Dy2 O24 -","- C42 H66 Dy2 O24 -","- C84 H132 Dy4 O48 -","2","1","","Milanov, Andrian P.; Seidel, Rüdiger W; Barreca, Davide; Gasparotto, Alberto; Winter, Manuela; Feydt, Jürgen; Irsen, Stephan; Becker, Hans-Werner; Devi, Anjana","Malonate complexes of dysprosium: synthesis, characterization and application for LI-MOCVD of dysprosium containing thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","62","78","10.1039/c0dt00455c","","","0.71073","MoKα","","0.0677","0.0321","","","0.0588","0.0679","","","","","","1.044","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014329","12.4112","0.0002","16.1629","0.0003","17.6679","0.0002","96.373","0.001","97.372","0.001","100.062","0.001","3428.38","0.09","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H90 Dy2 O24 -","- C54 H90 Dy2 O24 -","- C108 H180 Dy4 O48 -","2","1","","Milanov, Andrian P.; Seidel, Rüdiger W; Barreca, Davide; Gasparotto, Alberto; Winter, Manuela; Feydt, Jürgen; Irsen, Stephan; Becker, Hans-Werner; Devi, Anjana","Malonate complexes of dysprosium: synthesis, characterization and application for LI-MOCVD of dysprosium containing thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","62","78","10.1039/c0dt00455c","","","0.71073","MoKα","","0.0324","0.0213","","","0.0451","0.0483","","","","","","1.06","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014330","16.6894","0.0008","12.5519","0.0006","21.8342","0.0014","90","","112.437","0.005","90","","4227.7","0.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H114 Dy2 O24 -","- C66 H114 Dy2 O24 -","- C132 H228 Dy4 O48 -","2","0.5","","Milanov, Andrian P.; Seidel, Rüdiger W; Barreca, Davide; Gasparotto, Alberto; Winter, Manuela; Feydt, Jürgen; Irsen, Stephan; Becker, Hans-Werner; Devi, Anjana","Malonate complexes of dysprosium: synthesis, characterization and application for LI-MOCVD of dysprosium containing thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","62","78","10.1039/c0dt00455c","","","0.71073","MoKα","","0.0546","0.0331","","","0.08","0.0847","","","","","","0.871","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014331","12.4612","0.0006","17.0739","0.0008","21.1623","0.0012","90","","96.932","0.004","90","","4469.6","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H114 Dy2 O24 Si12 -","- C54 H114 Dy2 O24 Si12 -","- C108 H228 Dy4 O48 Si24 -","2","0.5","","Milanov, Andrian P.; Seidel, Rüdiger W; Barreca, Davide; Gasparotto, Alberto; Winter, Manuela; Feydt, Jürgen; Irsen, Stephan; Becker, Hans-Werner; Devi, Anjana","Malonate complexes of dysprosium: synthesis, characterization and application for LI-MOCVD of dysprosium containing thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","62","78","10.1039/c0dt00455c","","","0.71073","MoKα","","0.0627","0.0294","","","0.0544","0.0581","","","","","","0.854","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014332","11.0467","0.0003","23.9085","0.0007","12.967","0.0004","90","","95.412","0.003","90","","3409.45","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Dy N2 O12 -","- C31 H41 Dy N2 O12 -","- C124 H164 Dy4 N8 O48 -","4","1","","Milanov, Andrian P.; Seidel, Rüdiger W; Barreca, Davide; Gasparotto, Alberto; Winter, Manuela; Feydt, Jürgen; Irsen, Stephan; Becker, Hans-Werner; Devi, Anjana","Malonate complexes of dysprosium: synthesis, characterization and application for LI-MOCVD of dysprosium containing thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","62","78","10.1039/c0dt00455c","","","0.71073","MoKα","","0.0512","0.0269","","","0.0432","0.0451","","","","","","0.804","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014333","15.576","0.0006","20.7443","0.0008","20.4233","0.0006","90","","109.574","0.003","90","","6217.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H85 Dy N2 O12 -","- C60.507 H85.008 Dy N2 O12 -","- C242.028 H340.032 Dy4 N8 O48 -","4","1","","Milanov, Andrian P.; Seidel, Rüdiger W; Barreca, Davide; Gasparotto, Alberto; Winter, Manuela; Feydt, Jürgen; Irsen, Stephan; Becker, Hans-Werner; Devi, Anjana","Malonate complexes of dysprosium: synthesis, characterization and application for LI-MOCVD of dysprosium containing thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","62","78","10.1039/c0dt00455c","","","0.71073","MoKα","","0.0825","0.0411","","","0.0898","0.0973","","","","","","0.872","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014334","11.5397","0.0004","15.2934","0.0006","17.4762","0.0008","65.409","0.004","72.152","0.004","73.604","0.003","2626.5","0.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H65 Dy N2 O12 Si6 -","- C37 H65 Dy N2 O12 Si6 -","- C74 H130 Dy2 N4 O24 Si12 -","2","1","","Milanov, Andrian P.; Seidel, Rüdiger W; Barreca, Davide; Gasparotto, Alberto; Winter, Manuela; Feydt, Jürgen; Irsen, Stephan; Becker, Hans-Werner; Devi, Anjana","Malonate complexes of dysprosium: synthesis, characterization and application for LI-MOCVD of dysprosium containing thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","62","78","10.1039/c0dt00455c","","","0.71073","MoKα","","0.0628","0.0373","","","0.0623","0.067","","","","","","0.86","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014335","21.8588","0.0006","21.5855","0.0007","22.2231","0.0008","90","","109.218","0.003","90","","9901.3","0.6","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H62 Dy N O12 Si6 -","- C32 H62 Dy N O12 Si6 -","- C256 H496 Dy8 N8 O96 Si48 -","8","1","","Milanov, Andrian P.; Seidel, Rüdiger W; Barreca, Davide; Gasparotto, Alberto; Winter, Manuela; Feydt, Jürgen; Irsen, Stephan; Becker, Hans-Werner; Devi, Anjana","Malonate complexes of dysprosium: synthesis, characterization and application for LI-MOCVD of dysprosium containing thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","62","78","10.1039/c0dt00455c","","","0.71073","MoKα","","0.0454","0.028","","","0.0597","0.0674","","","","","","1.172","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014336","10.6285","0.0003","13.1359","0.0003","14.5805","0.0003","93.7062","0.0017","102.689","0.002","105.697","0.002","1895.12","0.08","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H33 F6 Ir N4 O2.5 P -","- C44 H27 F6 Ir N4 O2.5 P -","- C88 H54 F12 Ir2 N8 O5 P2 -","2","1","","Lee, Pui-Kei; Liu, Hua-Wei; Yiu, Shek-Man; Louie, Man-Wai; Lo, Kenneth Kam-Wing","Luminescent cyclometallated iridium(iii) bis(quinolylbenzaldehyde) diimine complexes-synthesis, photophysics, electrochemistry, protein cross-linking properties, cytotoxicity and cellular uptake.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2180","2189","10.1039/c0dt00501k","","","0.71073","MoKα","","0.0193","0.017","","","0.0447","0.0452","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014337","11.1167","0.0003","12.1327","0.0004","16.8271","0.0005","82.778","0.003","85.602","0.003","78.438","0.003","2202.77","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H42 F6 Ir N4 O4 P -","- C50.5 H42 F6 Ir N4 O4 P -","- C101 H84 F12 Ir2 N8 O8 P2 -","2","1","","Lee, Pui-Kei; Liu, Hua-Wei; Yiu, Shek-Man; Louie, Man-Wai; Lo, Kenneth Kam-Wing","Luminescent cyclometallated iridium(iii) bis(quinolylbenzaldehyde) diimine complexes-synthesis, photophysics, electrochemistry, protein cross-linking properties, cytotoxicity and cellular uptake.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2180","2189","10.1039/c0dt00501k","","","0.71073","MoKα","","0.0258","0.0209","","","0.0469","0.0476","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014338","15.2806","0.001","15.2806","0.001","15.393","0.002","90","","90","","120","","3112.7","0.5","294","2","294","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H44 Co3 Eu2 N6 O37 -","- C42 H30 Co3 Eu2 N6 O37 -","- C84 H60 Co6 Eu4 N12 O74 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0476","0.0266","","","0.0678","0.078","","","","","","1.096","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014339","15.2196","0.0008","15.2196","0.0008","15.4737","0.0015","90","","90","","120","","3104.1","0.4","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H44 Co3 Dy2 N6 O37 -","- C42 H30 Co3 Dy2 N6 O37 -","- C84 H60 Co6 Dy4 N12 O74 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.041","0.0235","","","0.0588","0.0706","","","","","","1.177","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014340","15.288","0.004","15.288","0.004","15.571","0.009","90","","90","","120","","3152","2","294","2","294","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H42 Co3 N6 O36 Tb2 -","- C42 H30 Co3 N6 O36 Tb2 -","- C84 H60 Co6 N12 O72 Tb4 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0528","0.0273","","","0.0658","0.0781","","","","","","1.071","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014341","15.0144","0.0008","15.0144","0.0008","15.6165","0.0017","90","","90","","120","","3048.8","0.4","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H42 Co3 N6 O36 Yb2 -","- C42 H30 Co3 N6 O36 Yb2 -","- C84 H60 Co6 N12 O72 Yb4 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0397","0.0241","","","0.0739","0.086","","","","","","1.151","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014342","8.939","0.005","24.46","0.014","18.213","0.009","90","","110.34","0.02","90","","3734","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Co2 Dy N3 O24 -","- C21 H22 Co2 Dy N3 O24 -","- C84 H88 Co8 Dy4 N12 O96 -","4","1","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.7107","MoKα","","0.1081","0.0797","","","0.1829","0.2034","","","","","","1.042","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014343","8.9328","0.0018","24.341","0.005","18.192","0.005","90","","110.27","0.03","90","","3710.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Co2 Er N3 O26 -","- C21 H8 Co2 Er N3 O26 -","- C84 H32 Co8 Er4 N12 O104 -","4","1","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.7107","MoKα","","0.0546","0.0455","","","0.1139","0.1196","","","","","","1.049","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014344","15.165","0.007","15.165","0.007","15.713","0.008","90","","90","","120","","3129","3","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H44 Er2 Fe3 N6 O37 -","- C42 H18 Er2 Fe3 N6 O37 -","- C84 H36 Er4 Fe6 N12 O74 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0428","0.0272","","","0.0831","0.0904","","","","","","1.008","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014345","8.9767","0.0004","23.9151","0.001","18.6746","0.0009","90","","111.497","0.004","90","","3730.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 Co2 Eu N3 O31 -","- C21 H40 Co2 Eu N3 O31 -","- C84 H160 Co8 Eu4 N12 O124 -","4","1","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0988","0.0772","","","0.1881","0.1965","","","","","","1.087","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014346","8.8952","0.0018","24.379","0.005","18.159","0.005","90","","109.94","0.03","90","","3701.8","1.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 Co2 Gd N3 O31 -","- C21 H12 Co2 Gd N3 O31 -","- C84 H48 Co8 Gd4 N12 O124 -","4","1","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.7107","MoKα","","0.0728","0.067","","","0.1317","0.1348","","","","","","1.126","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014347","8.9629","0.0018","24.304","0.005","18.353","0.005","90","","110.35","0.03","90","","3748.4","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Co2 Ho N3 O25 -","- C21 H22 Co2 Ho N3 O25 -","- C84 H88 Co8 Ho4 N12 O100 -","4","1","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.7107","MoKα","","0.089","0.0649","","","0.1498","0.1661","","","","","","1.081","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014348","15.187","0.002","15.187","0.002","15.616","0.004","90","","90","","120","","3119.2","1","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H44 Fe3 Ho2 N6 O37 -","- C42 H24 Fe3 Ho2 N6 O37 -","- C84 H48 Fe6 Ho4 N12 O74 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0409","0.0266","","","0.0608","0.0683","","","","","","1.147","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014349","15.329","0.003","15.329","0.003","15.403","0.006","90","","90","","120","","3134.5","1.5","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H44 Fe3 N6 Nd2 O37 -","- C42 H18 Fe3 N6 Nd2 O37 -","- C84 H36 Fe6 N12 Nd4 O74 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0609","0.0381","","","0.0831","0.0918","","","","","","1.138","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014350","15.4997","0.0009","15.4997","0.0009","15.2348","0.0017","90","","90","","120","","3169.7","0.4","294","2","294","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H44 Co3 N6 O37 Pr2 -","- C42 H30 Co3 N6 O37 Pr2 -","- C84 H60 Co6 N12 O74 Pr4 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0394","0.0262","","","0.0725","0.0804","","","","","","1.134","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014351","15.514","0.002","15.514","0.002","15.354","0.004","90","","90","","120","","3200.4","1","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H44 Fe3 N6 O37 Pr2 -","- C42 H18 Fe3 N6 O37 Pr2 -","- C84 H36 Fe6 N12 O74 Pr4 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0432","0.0304","","","0.0901","0.0995","","","","","","1.102","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014352","15.3092","0.0014","15.3092","0.0014","15.346","0.003","90","","90","","120","","3114.8","0.7","294","2","294","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H44 Co3 N6 O37 Sm2 -","- C42 H30 Co3 N6 O37 Sm2 -","- C84 H60 Co6 N12 O74 Sm4 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.067","0.0338","","","0.079","0.0981","","","","","","1.08","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014353","15.405","0.0014","15.405","0.0014","15.456","0.003","90","","90","","120","","3176.5","0.7","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H44 Fe3 N6 O37 Sm2 -","- C42 H18 Fe3 N6 O37 Sm2 -","- C84 H36 Fe6 N12 O74 Sm4 -","2","0.0833333","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0667","0.0343","","","0.085","0.1121","","","","","","0.916","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014354","8.8872","0.0018","23.96","0.005","18.493","0.005","90","","110.57","0.03","90","","3686.8","1.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 Co2 N3 O32 Tb -","- C21 H8 Co2 N3 O32 Tb -","- C84 H32 Co8 N12 O128 Tb4 -","4","1","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.7107","MoKα","","0.0944","0.091","","","0.1995","0.2012","","","","","","1.135","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014355","8.8971","0.0018","23.867","0.005","18.486","0.005","90","","110.72","0.03","90","","3671.6","1.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 Co2 N3 O31 Tm -","- C21 H8 Co2 N3 O31 Tm -","- C84 H32 Co8 N12 O124 Tm4 -","4","1","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.71073","MoKα","","0.0498","0.0481","","","0.1029","0.1038","","","","","","1.12","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014356","8.8997","0.0018","23.845","0.005","18.414","0.005","90","","110.7","0.03","90","","3655.4","1.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 Co2 N3 O31 Yb -","- C21 H22 Co2 N3 O31 Yb -","- C84 H88 Co8 N12 O124 Yb4 -","4","1","","Zhao, Xiao-Qing; Cui, Ping; Zhao, Bin; Shi, Wei; Cheng, Peng","Investigation on structures, luminescent and magnetic properties of Ln(III)-M (M = Fe(II)(HS), Co(II)) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","805","819","10.1039/c0dt00516a","","","0.7107","MoKα","","0.0512","0.0493","","","0.0965","0.0975","","","","","","1.131","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014357","14.0598","0.0011","14.4713","0.0011","16.981","0.0013","76.995","0.002","69.653","0.002","87.282","0.002","3154.5","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1,3-alternate-5,11,17,23-Tetra-tert-butyl-25,27-[1,2- bis(oxyethoxy)benzene]-2,8,14,20-tetra-thiacalix[4]arene","","- C52 H62 Cl4 O6 S4 -","- C52 H62 Cl4 O6 S4 -","- C104 H124 Cl8 O12 S8 -","2","1","","Li, Xiong; Li, Yan; Yang, Wei-Ping; Chen, Yuan-Yin; Gong, Shu-Ling","Different metal-ion-induced dimeric self-assembling cavities based on thiacalix[4]benzocrown-4 isomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","367","376","10.1039/c0dt00543f","","","0.71073","MoKα","","0.1084","0.0823","","","0.2395","0.2623","","","","","","1.041","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014358","17.1148","0.0007","22.5558","0.0009","25.0673","0.0009","90","","90","","90","","9676.9","0.7","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,3-alternate-thiacalix[4]-m-benzocrown-4","1,3-alternate-5,11,17,23-Tetra-tert-butyl-25,27-[1,3- bis(oxyethoxy)benzene]-2,8,14,20-tetra-thiacalix[4]arene","","- C50 H58 O6 S4 -","- C50 H58 O6 S4 -","- C400 H464 O48 S32 -","8","1","","Li, Xiong; Li, Yan; Yang, Wei-Ping; Chen, Yuan-Yin; Gong, Shu-Ling","Different metal-ion-induced dimeric self-assembling cavities based on thiacalix[4]benzocrown-4 isomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","367","376","10.1039/c0dt00543f","","","0.71073","MoKα","","0.1027","0.0762","","","0.1493","0.1598","","","","","","1.173","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014359","13.9789","0.0013","19.0304","0.0018","26.184","0.003","74.579","0.002","75.176","0.002","77.048","0.002","6399.6","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","1,3-alternate-thiacalix[4]-o-benzocrown-4 silver picrate complex","1,3-alternate-5,11,17,23-Tetra-tert-butyl-25,27-[1,2- bis(oxyethoxy)benzene]-2,8,14,20 -tetra-thiacalix[4]arene silver picrate complex","","- C116 H124 Ag2 Cl12 N6 O26 S8 -","- C116 H124 Ag2 Cl12 N6 O26 S8 -","- C232 H248 Ag4 Cl24 N12 O52 S16 -","2","1","","Li, Xiong; Li, Yan; Yang, Wei-Ping; Chen, Yuan-Yin; Gong, Shu-Ling","Different metal-ion-induced dimeric self-assembling cavities based on thiacalix[4]benzocrown-4 isomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","367","376","10.1039/c0dt00543f","","","0.71073","MoKα","","0.0848","0.0621","","","0.1383","0.1627","","","","","","1.068","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014360","13.1544","0.0007","23.6949","0.0012","39.29","0.002","90","","93.955","0.001","90","","12217.2","1.1","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1,3-alternate-thiacalix[4]-m-benzocrown-4 silver picrate complex","1,3-alternate-5,11,17,23-Tetra-tert-butyl-25,27-[1,3- bis(oxyethoxy)benzene]-2,8,14,20 -tetra-thiacalix[4]arene silver picrate complex","","- C114 H124 Ag2 Cl4 N6 O26 S8 -","- C114 H124 Ag2 Cl4 N6 O26 S8 -","- C456 H496 Ag8 Cl16 N24 O104 S32 -","4","1","","Li, Xiong; Li, Yan; Yang, Wei-Ping; Chen, Yuan-Yin; Gong, Shu-Ling","Different metal-ion-induced dimeric self-assembling cavities based on thiacalix[4]benzocrown-4 isomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","367","376","10.1039/c0dt00543f","","","0.71073","MoKα","","0.1564","0.1063","","","0.2631","0.2919","","","","","","1.041","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014361","6.197","0.0003","8.1633","0.0005","12.9784","0.0007","77.605","0.003","82.586","0.002","74.228","0.002","615.36","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H20 Cl2 N2 O5 Pt -","- C3 H20 Cl2 N2 O5 Pt -","- C6 H40 Cl4 N4 O10 Pt2 -","2","1","","Cubo, Leticia; Hambley, Trevor W.; Sanz Miguel, Pablo J.; Carnero, Amancio; Navarro-Ranninger, Carmen; Quiroga, Adoración G","The preparation and characterization of trans-platinum(IV) complexes with unusually high cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","344","347","10.1039/c0dt00565g","","","0.71073","MoKα","","0.0195","0.0166","","","0.0365","0.0376","","","","","","1.047","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014362","8.416","0.0017","7.321","0.0015","18.708","0.005","90","","115.99","0.02","90","","1036.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cl2 N2 O2 Pt -","- C4 H16 Cl2 N2 O2 Pt -","- C16 H64 Cl8 N8 O8 Pt4 -","4","1","","Cubo, Leticia; Hambley, Trevor W.; Sanz Miguel, Pablo J.; Carnero, Amancio; Navarro-Ranninger, Carmen; Quiroga, Adoración G","The preparation and characterization of trans-platinum(IV) complexes with unusually high cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","344","347","10.1039/c0dt00565g","","","0.71073","MoKα","","0.0598","0.0279","","","0.0604","0.0644","","","","","","0.978","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014363","19.785","0.002","16.651","0.002","24.213","0.003","90","","94.18","0.002","90","","7955.5","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H87 Cu2 N O7 P4 S3 -","- C85 H87 Cu2 N O7 P4 S3 -","- C340 H348 Cu8 N4 O28 P16 S12 -","4","1","","Singh, Bandana; Drew, Michael G. B.; Kociok-Kohn, Gabriele; Molloy, Kieran C.; Singh, Nanhai","Unprecedented coordination of dithiocarbimate in multinuclear and heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","623","631","10.1039/c0dt00582g","","","0.71073","MoKα","","0.1319","0.0709","","","0.1691","0.2209","","","","","","1.072","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014364","13.144","0.005","13.801","0.005","25.209","0.005","85.998","0.005","83.325","0.005","81.99","0.005","4491","3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C91 H80 Cl6 Cu2 N2 Ni O4 P4 S6 -","- C91 H80 Cl6 Cu2 N2 Ni O4 P4 S6 -","- C182 H160 Cl12 Cu4 N4 Ni2 O8 P8 S12 -","2","1","","Singh, Bandana; Drew, Michael G. B.; Kociok-Kohn, Gabriele; Molloy, Kieran C.; Singh, Nanhai","Unprecedented coordination of dithiocarbimate in multinuclear and heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","623","631","10.1039/c0dt00582g","","","0.71069","MoKα","","0.1531","0.0883","","","0.2294","0.3193","","","","","","1.092","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014365","16.3447","0.0002","18.3512","0.0002","25.548","0.0003","90","","90","","90","","7662.99","0.15","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H37 N O2 P2 Pd S3 -","- C44 H37 N O2 P2 Pd S3 -","- C352 H296 N8 O16 P16 Pd8 S24 -","8","1","","Singh, Bandana; Drew, Michael G. B.; Kociok-Kohn, Gabriele; Molloy, Kieran C.; Singh, Nanhai","Unprecedented coordination of dithiocarbimate in multinuclear and heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","623","631","10.1039/c0dt00582g","","","0.71073","MoKα","","0.0685","0.0399","","","0.0952","0.1095","","","","","","1.02","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014366","16.3309","0.0001","18.3563","0.0002","25.5228","0.0002","90","","90","","90","","7651.09","0.11","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H37 N O2 P2 Pt S3 -","- C44 H37 N O2 P2 Pt S3 -","- C352 H296 N8 O16 P16 Pt8 S24 -","8","1","","Singh, Bandana; Drew, Michael G. B.; Kociok-Kohn, Gabriele; Molloy, Kieran C.; Singh, Nanhai","Unprecedented coordination of dithiocarbimate in multinuclear and heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","623","631","10.1039/c0dt00582g","","","0.71073","MoKα","","0.0521","0.0289","","","0.0601","0.0679","","","","","","1.031","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014367","14.318","0.003","20.583","0.004","20.796","0.004","81.1","0.03","70.71","0.03","81.21","0.03","5681","2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H108 Au4 F24 N4 O2 P8 S4 -","- C90 H100 Au4 F24 N4 O2 P8 S4 -","- C180 H200 Au8 F48 N8 O4 P16 S8 -","2","1","","Zheng, Ai-Xia; Ren, Zhi-Gang; Li, Ling-Ling; Shang, Hai; Li, Hong-Xi; Lang, Jian-Ping","Reactions of a gold(I) thiolate complex [Au(Tab)(2)](2)(PF(6))(2) (Tab = 4-(trimethylammonio)benzenethiolate) with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","589","596","10.1039/c0dt00620c","","","0.71073","MoKα","","0.1055","0.0826","","","0.1879","0.2021","","","","","","1.159","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014368","8.706","0.003","29.885","0.008","21.926","0.006","90","","104.251","0.011","90","","5529","3","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H62 Au2 Cl2 N2 O4.5 P2 S2 -","- C45.5 H57 Au2 Cl2 N2 O4.5 P2 S2 -","- C182 H228 Au8 Cl8 N8 O18 P8 S8 -","4","1","","Zheng, Ai-Xia; Ren, Zhi-Gang; Li, Ling-Ling; Shang, Hai; Li, Hong-Xi; Lang, Jian-Ping","Reactions of a gold(I) thiolate complex [Au(Tab)(2)](2)(PF(6))(2) (Tab = 4-(trimethylammonio)benzenethiolate) with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","589","596","10.1039/c0dt00620c","","","0.71075","MoKα","","0.1086","0.0698","","","0.1763","0.2045","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014369","14.778","0.003","37.26","0.008","8.9963","0.0018","90","","100.35","0.03","90","","4873","1.8","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C75 H105 Au4 F24 N8 O4 P6 S4 -","- C75 H105 Au4 F24 N8 O4 P6 S4 -","- C150 H210 Au8 F48 N16 O8 P12 S8 -","2","0.5","","Zheng, Ai-Xia; Ren, Zhi-Gang; Li, Ling-Ling; Shang, Hai; Li, Hong-Xi; Lang, Jian-Ping","Reactions of a gold(I) thiolate complex [Au(Tab)(2)](2)(PF(6))(2) (Tab = 4-(trimethylammonio)benzenethiolate) with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","589","596","10.1039/c0dt00620c","","","0.71073","MoKα","","0.1086","0.0795","","","0.1395","0.1545","","","","","","1.173","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014370","15.74","0.003","9.0476","0.0018","30.106","0.009","90","","117.61","0.02","90","","3799.1","1.7","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Au2 Cl2 N4 O3 S3 -","- C30 H50 Au2 Cl2 N4 O3 S3 -","- C120 H200 Au8 Cl8 N16 O12 S12 -","4","1","","Zheng, Ai-Xia; Ren, Zhi-Gang; Li, Ling-Ling; Shang, Hai; Li, Hong-Xi; Lang, Jian-Ping","Reactions of a gold(I) thiolate complex [Au(Tab)(2)](2)(PF(6))(2) (Tab = 4-(trimethylammonio)benzenethiolate) with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","589","596","10.1039/c0dt00620c","","","0.71073","MoKα","","0.0665","0.0504","","","0.1086","0.1183","","","","","","1.1","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014371","9.306","0.0006","9.7224","0.0006","8.8777","0.0005","90","","90","","90","","803.22","0.08","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Neodymium Silicon Aluminum Oxynitride","Neodymium Silicon Aluminum Oxynitride","","- Al1.4 N9.6 Nd O0.4 Si5.6 -","- Al1.4 N9.6 Nd O0.4 Si5.6 -","- Al5.6 N38.4 Nd4 O1.6 Si22.4 -","4","0.5","","Huang, Saifang; Huang, Zhaohui; Liu, Yan-gai; Fang, Minghao","Crystal structure of NdSi(6-z)Al(1+z)O(z)N(10-z) (z = 0.4) determined by single-crystal X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1261","1266","10.1039/c0dt00658k","","","0.71073","MoKα","","0.0297","0.0289","","","0.0734","0.0739","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014372","18.579","0.003","18.579","0.003","15.951","0.003","90","","90","","120","","4768.3","1.4","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C67 H97 Al2 N4 O6 -","- C67 H97 Al2 N4 O6 -","- C201 H291 Al6 N12 O18 -","3","0.5","","George, Michael W.; Hall, Michael B.; Portius, Peter; Renz, Amanda L.; Sun, Xue-Zhong; Towrie, Michael; Yang, Xinzheng","Combined experimental and theoretical investigation into C-H activation of cyclic alkanes by Cp'Rh(CO)(2) (Cp' = η(5)-C(5)H(5) or η(5)-C(5)Me(5)).","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1751","1757","10.1039/c0dt00661k","","","0.71073","MoKα","","0.042","0.0377","","","0.1066","0.1111","","","","","","1.059","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014373","11.798","0.0001","31.288","0.0002","20.6198","0.0002","90","","100.3","0.0003","90","","7488.85","0.11","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H102 Al2 Cl4 N4 O6 -","- C80 H102 Al2 Cl4 N4 O6 -","- C320 H408 Al8 Cl16 N16 O24 -","4","2","","George, Michael W.; Hall, Michael B.; Portius, Peter; Renz, Amanda L.; Sun, Xue-Zhong; Towrie, Michael; Yang, Xinzheng","Combined experimental and theoretical investigation into C-H activation of cyclic alkanes by Cp'Rh(CO)(2) (Cp' = η(5)-C(5)H(5) or η(5)-C(5)Me(5)).","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1751","1757","10.1039/c0dt00661k","","x-ray","0.71073","MoKα","","0.0986","0.0855","","","0.2321","0.2457","","","","","","1.038","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014374","9.4916","0.0004","9.6726","0.0004","18.7808","0.0008","98.772","0.001","92.004","0.001","114.778","0.001","1537.77","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H52 Li2 N4 P2 S2 -","- C22 H52 Li2 N4 P2 S2 -","- C44 H104 Li4 N8 P4 S4 -","2","1","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.0341","0.0266","","","0.0657","0.0693","","","","","","1.054","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014375","9.6236","0.0011","10.1512","0.0012","11.3253","0.0013","73.936","0.002","84.728","0.002","88.96","0.002","1058.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Li2 N4 P2 S2 -","- C42 H60 Li2 N4 P2 S2 -","- C42 H60 Li2 N4 P2 S2 -","1","0.5","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.0564","0.0391","","","0.0976","0.1026","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7014376","37.169","0.008","10.175","0.002","16.851","0.004","90","","90","","90","","6373","2","250","2","250","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H52 Mg N4 P2 S2 -","- C22 H52 Mg N4 P2 S2 -","- C176 H416 Mg8 N32 P16 S16 -","8","0.5","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.0497","0.0462","","","0.1156","0.1172","","","","","","1.148","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014377","10.2715","0.0011","10.356","0.0011","10.4832","0.0011","68.636","0.001","65.728","0.001","60.99","0.001","869.77","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H52 Li2 N4 P2 S2 Si4 -","- C18 H52 Li2 N4 P2 S2 Si4 -","- C18 H52 Li2 N4 P2 S2 Si4 -","1","0.5","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.0236","0.0216","","","0.0607","0.0619","","","","","","0.861","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014378","10.6002","0.0006","10.635","0.001","10.7744","0.0006","100.785","0.001","117.366","0.001","103.446","0.001","986.48","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H64 Li2 N4 P2 S2 Si4 -","- C24 H64 Li2 N4 P2 S2 Si4 -","- C24 H64 Li2 N4 P2 S2 Si4 -","1","0.5","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.0299","0.0277","","","0.0747","0.0768","","","","","","1.068","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014379","10.5006","0.0014","20.753","0.003","8.5699","0.0011","90","","97.279","0.002","90","","1852.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Li2 N4 P2 S2 -","- C32 H56 Li2 N4 P2 S2 -","- C64 H112 Li4 N8 P4 S4 -","2","0.5","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.0325","0.0305","","","0.0778","0.0788","","","","","","1.05","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014380","33.944","0.005","9.5352","0.0013","21.921","0.003","90","","101.895","0.003","90","","6942.7","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H52 Li N4 P S Si2 -","- C27.5 H52 Li N4 P S Si2 -","- C220 H416 Li8 N32 P8 S8 Si16 -","8","1","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.052","0.0382","","","0.0903","0.0974","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014381","10.2563","0.0005","17.8142","0.0008","19.2917","0.0009","90","","99.273","0.001","90","","3478.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H52 Mg N4 P2 S2 Si4 -","- C18 H52 Mg N4 P2 S2 Si4 -","- C72 H208 Mg4 N16 P8 S8 Si16 -","4","1","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.0238","0.0213","","","0.0612","0.063","","","","","","1.019","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014382","12.9937","0.0007","9.9367","0.0006","18.1145","0.001","90","","99.843","0.001","90","","2304.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 N2 P S Si2 -","- C19 H31 N2 P S Si2 -","- C76 H124 N8 P4 S4 Si8 -","4","1","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.0289","0.0278","","","0.0757","0.0767","","","","","","1.052","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014383","11.3435","0.0004","10.0725","0.0004","36.4349","0.0014","90","","90.265","0.001","90","","4162.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 In O6 -","- C42 H60 In O6 -","- C168 H240 In4 O24 -","4","1","","Piskunov, Alexandr V.; Maleeva, Aryna V.; Fukin, Georgii K.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Synthesis and molecular structure of indium complexes based on 3,6-di-tert-butyl-o-benzoquinone. Looking for indium(I) o-semiquinolate.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","718","725","10.1039/c0dt00673d","","","0.71073","MoKα","","0.0371","0.0306","","","0.0675","0.0696","","","","","","1.071","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014384","11.0275","0.0005","18.7637","0.0008","23.0694","0.001","90","","90","","90","","4773.4","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H64 In N2 O4 -","- C52 H64 In N2 O4 -","- C208 H256 In4 N8 O16 -","4","1","","Piskunov, Alexandr V.; Maleeva, Aryna V.; Fukin, Georgii K.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Synthesis and molecular structure of indium complexes based on 3,6-di-tert-butyl-o-benzoquinone. Looking for indium(I) o-semiquinolate.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","718","725","10.1039/c0dt00673d","","","0.71073","MoKα","","0.0428","0.0347","","","0.0712","0.0739","","","","","","1.035","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014385","17.0349","0.0005","17.2131","0.0005","16.1378","0.0005","90","","98.112","0.001","90","","4684.6","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H76 In K N2 O8 -","- C42 H76 In K N2 O8 -","- C168 H304 In4 K4 N8 O32 -","4","0.5","","Piskunov, Alexandr V.; Maleeva, Aryna V.; Fukin, Georgii K.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Synthesis and molecular structure of indium complexes based on 3,6-di-tert-butyl-o-benzoquinone. Looking for indium(I) o-semiquinolate.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","718","725","10.1039/c0dt00673d","","","0.71073","MoKα","","0.0247","0.0224","","","0.055","0.0561","","","","","","1.052","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014386","22.3131","0.0009","9.8806","0.0004","18.2309","0.0008","90","","90","","90","","4019.3","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H56 I2 In2 O6 -","- C36 H56 I2 In2 O6 -","- C144 H224 I8 In8 O24 -","4","0.5","","Piskunov, Alexandr V.; Maleeva, Aryna V.; Fukin, Georgii K.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Synthesis and molecular structure of indium complexes based on 3,6-di-tert-butyl-o-benzoquinone. Looking for indium(I) o-semiquinolate.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","718","725","10.1039/c0dt00673d","","","0.71073","MoKα","","0.0256","0.0225","","","0.0557","0.0571","","","","","","1.054","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014387","9.865","0.003","17.714","0.005","20.325","0.006","70.65","0.03","77.37","0.03","88.48","0.03","3266","1.8","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H54 Mo N3 O3 P Si3 -","- C21 H54 Mo N3 O3 P Si3 -","- C84 H216 Mo4 N12 O12 P4 Si12 -","4","2","","Kovalenko, Oleksandr O.; Boldog, Ishtvan; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of trialkoxynitridomolybdenum with low-coordinate phosphorus compounds containing a P=N double bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","711","717","10.1039/c0dt00694g","","","0.71073","MoKα","","0.1086","0.0437","","","0.0703","0.0792","","","","","","1.005","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014388","10.082","0.004","10.356","0.004","18.523","0.007","83.9","0.04","89.83","0.04","61.91","0.05","1694.1","1.4","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H54 Mo N3 O3 P Si3 -","- C21 H54 Mo N3 O3 P Si3 -","- C42 H108 Mo2 N6 O6 P2 Si6 -","2","1","","Kovalenko, Oleksandr O.; Boldog, Ishtvan; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of trialkoxynitridomolybdenum with low-coordinate phosphorus compounds containing a P=N double bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","711","717","10.1039/c0dt00694g","","","0.71073","MoKα","","0.1064","0.0517","","","0.111","0.1208","","","","","","1.024","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014389","15.557","0.005","11.92","0.003","18.59","0.006","90","","109.73","0.03","90","","3244.9","1.8","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Mo N3 O3 P S Si2 -","- C22 H54 Mo N3 O3 P S Si2 -","- C88 H216 Mo4 N12 O12 P4 S4 Si8 -","4","1","","Kovalenko, Oleksandr O.; Boldog, Ishtvan; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of trialkoxynitridomolybdenum with low-coordinate phosphorus compounds containing a P=N double bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","711","717","10.1039/c0dt00694g","","","0.71073","MoKα","","0.0507","0.0296","","","0.0604","0.0627","","","","","","1.003","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014390","19.393","0.006","17.061","0.005","22.629","0.007","90","","90","","90","","7487","4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H63 Mo N4 O3 P Si4 -","- C24 H63 Mo N4 O3 P Si4 -","- C192 H504 Mo8 N32 O24 P8 Si32 -","8","1","","Kovalenko, Oleksandr O.; Boldog, Ishtvan; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of trialkoxynitridomolybdenum with low-coordinate phosphorus compounds containing a P=N double bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","711","717","10.1039/c0dt00694g","","","0.71073","MoKα","","0.1211","0.0467","","","0.0864","0.1006","","","","","","1.009","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014391","19.01","0.006","16.687","0.005","22.677","0.006","90","","90","","90","","7194","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H57 Mo N4 O3 P Si4 -","- C21 H57 Mo N4 O3 P Si4 -","- C168 H456 Mo8 N32 O24 P8 Si32 -","8","1","","Kovalenko, Oleksandr O.; Boldog, Ishtvan; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of trialkoxynitridomolybdenum with low-coordinate phosphorus compounds containing a P=N double bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","711","717","10.1039/c0dt00694g","","","0.71073","MoKα","","0.0938","0.0397","","","0.0708","0.076","","","","","","1.013","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014392","8.5202","0.001","11.2899","0.0012","12.7502","0.0014","95.894","0.009","102.64","0.009","109.373","0.009","1108.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N3 O6 Ru -","- C21 H28 N3 O6 Ru -","- C42 H56 N6 O12 Ru2 -","2","1","","Singh, Keisham Sarjit; Svitlyk, Volodymyr; Mozharivskyj, Yurij","Mono and dinuclear arene ruthenium(II) triazoles by 1,3-dipolar cycloadditions to a coordinated azide in ruthenium(II) compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1020","1023","10.1039/c0dt00698j","","","0.71073","MoKα","","0.1758","0.0536","","","0.0653","0.085","","","","","","0.664","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014393","9.4032","0.0004","11.5596","0.0005","14.423","0.0006","111.292","0.003","92.407","0.004","109.007","0.003","1358.04","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N3 O6 Ru -","- C27 H33 N3 O6 Ru -","- C54 H66 N6 O12 Ru2 -","2","1","","Singh, Keisham Sarjit; Svitlyk, Volodymyr; Mozharivskyj, Yurij","Mono and dinuclear arene ruthenium(II) triazoles by 1,3-dipolar cycloadditions to a coordinated azide in ruthenium(II) compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1020","1023","10.1039/c0dt00698j","","","0.71073","MoKα","","0.0759","0.0442","","","0.0867","0.0946","","","","","","0.919","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014394","9.8816","0.0011","10.9635","0.0012","11.8619","0.001","111.53","0.003","90.034","0.003","99.352","0.004","1177","0.2","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H30 F6 N6 P Rh -","- C20 H30 F6 N6 P Rh -","- C40 H60 F12 N12 P2 Rh2 -","2","2","","Riederer, Stephanie K. U.; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E","Chiral N-heterocyclic biscarbenes based on 1,2,4-triazole as ligands for metal-catalyzed asymmetric synthesis.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","41","43","10.1039/c0dt00724b","","","0.71073","MoKα","","0.0348","0.0313","","","0.0762","0.0786","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014395","10.272","0.007","25.084","0.015","20.103","0.01","90","","116.91","0.03","90","","4619","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C110 H84 B2 Co2 N14 O4 S4 -","- C110 H84 B2 Co2 N14 O4 S4 -","- C220 H168 B4 Co4 N28 O8 S8 -","2","0.5","","Wang, Ru; Kang, Ling-Chen; Xiong, Jing; Dou, Xiao-Wei; Chen, Xiao-Yu; Zuo, Jing-Lin; You, Xiao-Zeng","Structures and physical properties of oligomeric and polymeric metal complexes based on bis(pyridyl)-substituted TTF ligands and an inorganic analogue.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","919","926","10.1039/c0dt00739k","","","0.71073","MoKα","","0.0959","0.0516","","","0.0914","0.1009","","","","","","1.006","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014396","10.3052","0.0008","25.198","0.002","20.1921","0.0013","90","","117.57","0.003","90","","4647.9","0.6","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C108 H84 B2 Co2 N14 Ni O4 S4 -","- C108 H84 B2 Co2 N14 Ni O4 S4 -","- C216 H168 B4 Co4 N28 Ni2 O8 S8 -","2","0.5","","Wang, Ru; Kang, Ling-Chen; Xiong, Jing; Dou, Xiao-Wei; Chen, Xiao-Yu; Zuo, Jing-Lin; You, Xiao-Zeng","Structures and physical properties of oligomeric and polymeric metal complexes based on bis(pyridyl)-substituted TTF ligands and an inorganic analogue.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","919","926","10.1039/c0dt00739k","","","0.71073","MoKα","","0.0821","0.0534","","","0.1053","0.1125","","","","","","0.983","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014397","20.866","0.003","17.281","0.002","11.1077","0.0014","90","","110.479","0.002","90","","3752.1","0.8","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H18 Cu F6 N2 O4 S6 -","- C32 H18 Cu F6 N2 O4 S6 -","- C128 H72 Cu4 F24 N8 O16 S24 -","4","0.5","","Wang, Ru; Kang, Ling-Chen; Xiong, Jing; Dou, Xiao-Wei; Chen, Xiao-Yu; Zuo, Jing-Lin; You, Xiao-Zeng","Structures and physical properties of oligomeric and polymeric metal complexes based on bis(pyridyl)-substituted TTF ligands and an inorganic analogue.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","919","926","10.1039/c0dt00739k","","","0.71073","MoKα","","0.0898","0.0636","","","0.1769","0.1882","","","","","","0.961","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014398","21.761","0.007","17.151","0.006","10.831","0.003","90","","106.841","0.007","90","","3869","2","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H18 F6 Mn N2 O4 S6 -","- C32 H18 F6 Mn N2 O4 S6 -","- C128 H72 F24 Mn4 N8 O16 S24 -","4","0.5","","Wang, Ru; Kang, Ling-Chen; Xiong, Jing; Dou, Xiao-Wei; Chen, Xiao-Yu; Zuo, Jing-Lin; You, Xiao-Zeng","Structures and physical properties of oligomeric and polymeric metal complexes based on bis(pyridyl)-substituted TTF ligands and an inorganic analogue.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","919","926","10.1039/c0dt00739k","","","0.71073","MoKα","","0.1717","0.0739","","","0.1818","0.2008","","","","","","0.918","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014399","23.563","0.007","5.0739","0.0015","17.06","0.004","90","","98.987","0.015","90","","2014.6","1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Dichloro(1,4,7,10,13,16-hexathiacyclooctadecane- S,S')germanium(ii)","Dichloro(1,4,7,10,13,16-hexathiacyclooctadecane-S,S')germanium(II)","","- C12 H24 Cl2 Ge S6 -","- C12 H24 Cl2 Ge S6 -","- C48 H96 Cl8 Ge4 S24 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.1401","0.077","","","0.1201","0.1433","","","","","","1.186","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014400","13.906","0.003","11.583","0.002","14.273","0.003","90","","98.159","0.01","90","","2275.7","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Chloro(1,4,7-trioxa-10,13,16- trithiacyclooctadecane)germanium(ii) trichlorogermanate","Chloro(1,4,7-trioxa-10,13,16-trithiacyclooctadecane)germanium(II) trichlorogermanate","","- C12 H24 Cl4 Ge2 O3 S3 -","- C12 H24 Cl4 Ge2 O3 S3 -","- C48 H96 Cl16 Ge8 O12 S12 -","4","1","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.1209","0.0738","","","0.1174","0.1338","","","","","","1.182","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014401","14.504","0.004","11.482","0.004","14.671","0.005","90","","115.585","0.015","90","","2203.7","1.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","chloro(1,4,7-trioxa-10,13,16- trithiacyclooctadecane)germanium(ii) trifluoromethanesulfonate","chloro(1,4,7-trioxa-10,13,16-trithiacyclooctadecane)germanium(II) trifluoromethanesulfonate","","- C13 H24 Cl F3 Ge O6 S4 -","- C13 H24 Cl F3 Ge O6 S4 -","- C52 H96 Cl4 F12 Ge4 O24 S16 -","4","1","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.211","0.1093","","","0.1631","0.1987","","","","","","1.165","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014402","8.532","0.001","10.355","0.002","21.696","0.004","90","","99.029","0.01","90","","1893.1","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Chloro(1,4,7-trioxa-10,13- dithiacyclopentadecane)germanium(ii) trichlorogermanate","Chloro(1,4,7-trioxa-10,13-dithiacyclopentadecane)germanium(II) trichlorogermanate","","- C10 H20 Cl4 Ge2 O3 S2 -","- C10 H20 Cl4 Ge2 O3 S2 -","- C40 H80 Cl16 Ge8 O12 S8 -","4","1","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.0404","0.0318","","","0.058","0.0617","","","","","","1.137","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014403","9.049","0.002","11.602","0.003","10.61","0.002","90","","90","","90","","1113.9","0.4","120","2","120","2","","","","","","","","5","C m c 21","C 2c -2","36","(1,5-diselenacyclo-octane-Se,Se')dichlorogermanium(ii)","(1,5-diselenacyclo-octane-Se,Se')dichlorogermanium(II)","","- C6 H12 Cl2 Ge Se2 -","- C6 H12 Cl2 Ge Se2 -","- C24 H48 Cl8 Ge4 Se8 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.0354","0.0302","","","0.0671","0.0704","","","","","","1.047","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014404","15.6517","0.0015","15.6517","0.0015","5.2707","0.0005","90","","90","","90","","1291.2","0.2","120","2","120","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","(1,5,9,13- tetraselenacyclohexadecane)bis(dichlorogermanium(ii)) dichloromethane solvate","(1,5,9,13-tetraselenacyclohexadecane)bis(dichlorogermanium(II)) dichloromethane solvate","","- C13 H26 Cl6 Ge2 Se4 -","- C13 H26 Cl6 Ge2 Se4 -","- C26 H52 Cl12 Ge4 Se8 -","2","0.25","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.0229","0.0199","","","0.0401","0.0414","","","","","","1.124","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014405","13.375","0.004","5.0372","0.001","16.368","0.005","90","","113.22","0.01","90","","1013.4","0.5","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","dibromo(1,5,9,13-tetraselenacyclohexadecane- Se,Se')germanium(ii)","dibromo(1,5,9,13-tetraselenacyclohexadecane-Se,Se')germanium(II)","","- C12 H24 Br2 Ge Se4 -","- C12 H24 Br2 Ge Se4 -","- C24 H48 Br4 Ge2 Se8 -","2","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.0595","0.0409","","","0.0897","0.1015","","","","","","0.921","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014406","16.599","0.004","17.659","0.003","12.181","0.002","90","","105.159","0.01","90","","3446.3","1.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(1,5,9,13-tetraselenacyclohexadecane)bis(di- iodogermanium(ii)) tetraiodogermanium(IV)","(1,5,9,13-tetraselenacyclohexadecane)bis(di-iodogermanium(II)) tetraiodogermanium(IV)","","- C12 H24 Ge3 I8 Se4 -","- C12 H24 Ge3 I8 Se4 -","- C48 H96 Ge12 I32 Se16 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.084","0.0667","","","0.132","0.142","","","","","","1.11","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7014407","10.275","0.0004","13.5295","0.0005","16.2447","0.0004","90","","94.919","0.002","90","","2249.95","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl5 Fe N4 -","- C19 H19 Cl5 Fe N4 -","- C76 H76 Cl20 Fe4 N16 -","4","1","","Jaafar, Hassen; Vileno, Bertrand; Thibon, Aurore; Mandon, Dominique","Tuning the conversion of cyclohexane into cyclohexanol/one by molecular dioxygen, protons and reducing agents at a single non-porphyrinic iron centre and chemical versatility of the tris(2-pyridylmethyl)amine TPAFe(II)Cl2 complex in mild oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","92","106","10.1039/c0dt00756k","","","0.71073","MoKα","","0.0804","0.0486","","","0.1274","0.1437","","","","","","1.081","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014408","9.192","0.0005","15.5454","0.001","15.1189","0.0008","90","","106.52","0.003","90","","2071.2","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H16 Cl4 Fe N4 -","- C18 H16 Cl4 Fe N4 -","- C72 H64 Cl16 Fe4 N16 -","4","1","","Jaafar, Hassen; Vileno, Bertrand; Thibon, Aurore; Mandon, Dominique","Tuning the conversion of cyclohexane into cyclohexanol/one by molecular dioxygen, protons and reducing agents at a single non-porphyrinic iron centre and chemical versatility of the tris(2-pyridylmethyl)amine TPAFe(II)Cl2 complex in mild oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","92","106","10.1039/c0dt00756k","","","0.71073","MoKα","","0.0525","0.0387","","","0.0883","0.0956","","","","","","1.017","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014409","8.6446","0.0005","11.4985","0.0009","13.3214","0.0009","86.774","0.003","75.367","0.004","78.051","0.004","1253.42","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl5 Fe N4 -","- C18 H15 Cl5 Fe N4 -","- C36 H30 Cl10 Fe2 N8 -","2","1","","Jaafar, Hassen; Vileno, Bertrand; Thibon, Aurore; Mandon, Dominique","Tuning the conversion of cyclohexane into cyclohexanol/one by molecular dioxygen, protons and reducing agents at a single non-porphyrinic iron centre and chemical versatility of the tris(2-pyridylmethyl)amine TPAFe(II)Cl2 complex in mild oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","92","106","10.1039/c0dt00756k","","","0.71073","MoKα","","0.0893","0.065","","","0.1844","0.1967","","","","","","1.038","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014410","7.3574","0.0002","9.8123","0.0003","17.6344","0.0005","97.7864","0.001","99.9008","0.0011","100.057","0.0013","1216.74","0.06","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C21 H38 Cl Ir N2 O3 Si -","- C21 H38 Cl Ir N2 O3 Si -","- C42 H76 Cl2 Ir2 N4 O6 Si2 -","2","1","","Dastgir, Sarim; Coleman, Karl S.; Green, Malcolm L. H.","Heterogenised N-heterocyclic carbene complexes: synthesis, characterisation and application for hydroformylation and C-C bond formation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","661","672","10.1039/c0dt00760a","","","0.71073","MoKα","","0.0407","0.0311","","0.0392","0.0341","0.0341","","","","","","1.0899","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014411","7.62","0.002","21.34","0.004","12.83","0.003","90","","99.67","0.03","90","","2056.7","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl N O Ru -","- C22 H30 Cl N O Ru -","- C88 H120 Cl4 N4 O4 Ru4 -","4","1","","Govender, Preshendren; Renfrew, Anna K.; Clavel, Catherine M.; Dyson, Paul J.; Therrien, Bruno; Smith, Gregory S.","Antiproliferative activity of chelating N,O- and N,N-ruthenium(II) arene functionalised poly(propyleneimine) dendrimer scaffolds.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1158","1167","10.1039/c0dt00761g","","","0.71073","MoKα","","0.2884","0.1373","","","0.3016","0.3898","","","","","","0.937","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014412","9.149","0.0009","9.8468","0.0009","12.2766","0.0012","81.583","0.011","79.178","0.011","83.705","0.011","1070.76","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 Cl F6 N2 P Ru -","- C19 H26 Cl F6 N2 P Ru -","- C38 H52 Cl2 F12 N4 P2 Ru2 -","2","1","","Govender, Preshendren; Renfrew, Anna K.; Clavel, Catherine M.; Dyson, Paul J.; Therrien, Bruno; Smith, Gregory S.","Antiproliferative activity of chelating N,O- and N,N-ruthenium(II) arene functionalised poly(propyleneimine) dendrimer scaffolds.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1158","1167","10.1039/c0dt00761g","","","0.71073","MoKα","","0.0305","0.0238","","","0.0589","0.0725","","","","","","1.153","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014413","12.4312","0.001","13.148","0.0012","14.1942","0.001","90","","90","","90","","2320","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl F6 N2 P Ru -","- C21 H30 Cl F6 N2 P Ru -","- C84 H120 Cl4 F24 N8 P4 Ru4 -","4","1","","Govender, Preshendren; Renfrew, Anna K.; Clavel, Catherine M.; Dyson, Paul J.; Therrien, Bruno; Smith, Gregory S.","Antiproliferative activity of chelating N,O- and N,N-ruthenium(II) arene functionalised poly(propyleneimine) dendrimer scaffolds.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1158","1167","10.1039/c0dt00761g","","","0.71073","MoKα","","0.0525","0.0335","","","0.0617","0.0671","","","","","","0.929","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014414","11.553","0.0007","16.4925","0.0011","16.1736","0.0011","90","","91.766","0.002","90","","3080.2","0.3","193.1","","193.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H14 N2 O9 Ru3 S -","- C31 H14 N2 O9 Ru3 S -","- C124 H56 N8 O36 Ru12 S4 -","4","1","","Hirotsu, Masakazu; Tsuboi, Chiaki; Nishioka, Takanori; Kinoshita, Isamu","Carbon-sulfur bond cleavage reactions of dibenzothiophene derivatives mediated by iron and ruthenium carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","785","787","10.1039/c0dt00768d","","","0.71075","MoKα","","","0.0461","","","","0.1086","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014415","8.9173","0.0005","28.4618","0.0014","16.4666","0.001","90","","107.409","0.003","90","","3987.8","0.4","193.1","","193.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H11 Fe2 N O5 S -","- C22 H11 Fe2 N O5 S -","- C176 H88 Fe16 N8 O40 S8 -","8","2","","Hirotsu, Masakazu; Tsuboi, Chiaki; Nishioka, Takanori; Kinoshita, Isamu","Carbon-sulfur bond cleavage reactions of dibenzothiophene derivatives mediated by iron and ruthenium carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","785","787","10.1039/c0dt00768d","","","0.7107","MoKα","","","0.0309","","","","0.0858","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014416","11.0208","0.0006","12.2075","0.0006","19.5614","0.0012","91.059","0.003","91.737","0.003","103.814","0.003","2553.5","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C170 H16 F48 -","- C170 H16 F48 -","- C170 H16 F48 -","1","0.5","","Ovchinnikova, Natalia S.; Goryunkov, Alexey A.; Khavrel, Pavel A.; Belov, Nikita M.; Apenova, Marina G.; Ioffe, Ilya N.; Yurovskaya, Marina A.; Troyanov, Sergey I.; Sidorov, Lev N.; Kemnitz, Erhard","Unexpected fullerene dimerization via [5,6]-bond upon functionalization of C(s)-C70(CF3)8 by the Bingel reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","959","965","10.1039/c0dt00777c","","","0.905","synchrotron","","0.1643","0.0864","","","0.2034","0.2267","","","","","","1.115","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014417","16.389","0.001","23.771","0.003","19.664","0.002","90","","110.5","0.003","90","","7175.6","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C184 H45.81 F48 O18.9 -","- C184 F48 O18.888 -","- C368 F96 O37.776 -","2","0.5","","Ovchinnikova, Natalia S.; Goryunkov, Alexey A.; Khavrel, Pavel A.; Belov, Nikita M.; Apenova, Marina G.; Ioffe, Ilya N.; Yurovskaya, Marina A.; Troyanov, Sergey I.; Sidorov, Lev N.; Kemnitz, Erhard","Unexpected fullerene dimerization via [5,6]-bond upon functionalization of C(s)-C70(CF3)8 by the Bingel reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","959","965","10.1039/c0dt00777c","","","0.905","synchrotron","","0.1829","0.1213","","","0.2886","0.3108","","","","","","1.138","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014418","14.195","0.001","22.181","0.003","18.826","0.002","90","","111.19","0.006","90","","5526.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C176 H20 Cl2 F48 O8 -","- C176 H20 Cl2 F48 O8 -","- C352 H40 Cl4 F96 O16 -","2","0.5","","Ovchinnikova, Natalia S.; Goryunkov, Alexey A.; Khavrel, Pavel A.; Belov, Nikita M.; Apenova, Marina G.; Ioffe, Ilya N.; Yurovskaya, Marina A.; Troyanov, Sergey I.; Sidorov, Lev N.; Kemnitz, Erhard","Unexpected fullerene dimerization via [5,6]-bond upon functionalization of C(s)-C70(CF3)8 by the Bingel reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","959","965","10.1039/c0dt00777c","","","0.905","synchrotron","","0.1433","0.0844","","","0.2088","0.2289","","","","","","1.09","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014419","17.125","0.001","27.043","0.003","15.128","0.002","90","","108.45","0.006","90","","6645.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C190.82 H33.88 Cl6.94 F48 O8 -","- C190.82 H20 Cl6.94 F48 O8.008 -","- C381.64 H40 Cl13.88 F96 O16.016 -","2","0.5","","Ovchinnikova, Natalia S.; Goryunkov, Alexey A.; Khavrel, Pavel A.; Belov, Nikita M.; Apenova, Marina G.; Ioffe, Ilya N.; Yurovskaya, Marina A.; Troyanov, Sergey I.; Sidorov, Lev N.; Kemnitz, Erhard","Unexpected fullerene dimerization via [5,6]-bond upon functionalization of C(s)-C70(CF3)8 by the Bingel reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","959","965","10.1039/c0dt00777c","","","0.905","synchrotron","","0.1788","0.0783","","","0.1979","0.2327","","","","","","1.207","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014420","7.541","0.003","12.107","0.005","13.226","0.005","79.3","0.01","77.552","0.012","87.28","0.012","1158.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Ag4 Mo3 N10 O10 -","- C12 H8 Ag4 Mo3 N10 O10 -","- C24 H16 Ag8 Mo6 N20 O20 -","2","1","","Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen; Chen, Xiao-Hua; Huang, Hua","Inorganic-organic hybrid compounds based on molybdenum oxide chains and tetrazolate-bridged polymeric silver cations.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1866","1872","10.1039/c0dt00781a","","","0.71073","MoKα","","0.0348","0.0291","","","0.0669","0.0707","","","","","","1.042","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014421","9.623","0.003","11.188","0.004","12.212","0.004","71.944","0.007","88.358","0.009","88.491","0.007","1249.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Ag4 Mo4 N10 O13 -","- C12 H8 Ag4 Mo4 N10 O13 -","- C24 H16 Ag8 Mo8 N20 O26 -","2","1","","Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen; Chen, Xiao-Hua; Huang, Hua","Inorganic-organic hybrid compounds based on molybdenum oxide chains and tetrazolate-bridged polymeric silver cations.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1866","1872","10.1039/c0dt00781a","","","0.71073","MoKα","","0.0364","0.0275","","","0.0578","0.0619","","","","","","1.01","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014422","9.69","0.004","10.24","0.005","13.13","0.005","102","0.002","93.61","0.004","110.87","0.006","1177.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Ag4 Mo4 N12 O13 -","- C10 H6 Ag4 Mo4 N12 O13 -","- C20 H12 Ag8 Mo8 N24 O26 -","2","1","","Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen; Chen, Xiao-Hua; Huang, Hua","Inorganic-organic hybrid compounds based on molybdenum oxide chains and tetrazolate-bridged polymeric silver cations.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1866","1872","10.1039/c0dt00781a","","","0.71073","MoKα","","0.0451","0.0356","","","0.0886","0.0958","","","","","","1.036","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014423","8.4666","0.0003","10.5796","0.0005","10.7969","0.0004","89.873","0.004","95.912","0.004","93.725","0.002","959.93","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MnCu(dmopba)(H2O)3.4H2O","","","- C12 H22 Cu Mn N2 O13 -","- C12 H22 Cu Mn N2 O13 -","- C24 H44 Cu2 Mn2 N4 O26 -","2","1","","Pereira, Cynthia L. M.; Pedroso, Emerson F.; Doriguetto, Antônio C; Ellena, Javier A.; Boubekeur, Kamal; Filali, Yasmine; Journaux, Yves; Novak, Miguel A.; Stumpf, Humberto O.","Design of 1D and 2D molecule-based magnets with the ligand 4,5-dimethyl-1,2-phenylenebis(oxamato).","Dalton transactions (Cambridge, England : 2003)","2011","40","3","746","754","10.1039/c0dt00796j","","","0.71073","MoKα","","0.0703","0.0617","","","0.1943","0.2062","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014424","8.558","0.0011","10.173","0.0015","18.201","0.006","93.146","0.017","98.93","0.02","110.158","0.014","1459.4","0.6","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H32 Cu Mn N2 O10 S4 -","- C20 H32 Cu Mn N2 O10 S4 -","- C40 H64 Cu2 Mn2 N4 O20 S8 -","2","1","","Pereira, Cynthia L. M.; Pedroso, Emerson F.; Doriguetto, Antônio C; Ellena, Javier A.; Boubekeur, Kamal; Filali, Yasmine; Journaux, Yves; Novak, Miguel A.; Stumpf, Humberto O.","Design of 1D and 2D molecule-based magnets with the ligand 4,5-dimethyl-1,2-phenylenebis(oxamato).","Dalton transactions (Cambridge, England : 2003)","2011","40","3","746","754","10.1039/c0dt00796j","","","0.71073","MoKα","","0.1013","0.053","","","0.1281","0.1543","","","","","","1.056","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014425","10.527","0.0002","19.8437","0.0004","19.0977","0.0004","90","","89.893","0.002","90","","3989.4","0.14","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Cl N2 O4 P Pd -","- C44 H48 Cl N2 O4 P Pd -","- C176 H192 Cl4 N8 O16 P4 Pd4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Levi, Carlo; Dolmella, Alessandro","Synthesis, characterization, dynamics and reactivity toward amination of η3-allyl palladium complexes bearing mixed ancillary ligands. Evaluation of the electronic characteristics of the ligands from kinetic data.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","966","981","10.1039/c0dt00811g","","","0.71073","MoKα","","0.0744","0.0338","","","0.0586","0.0622","","","","","","0.802","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014426","12.8436","0.0001","13.2013","0.0001","19.899","0.0002","90","","107.063","0.001","90","","3225.41","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl N3 O4 Pd -","- C33 H38 Cl N3 O4 Pd -","- C132 H152 Cl4 N12 O16 Pd4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Levi, Carlo; Dolmella, Alessandro","Synthesis, characterization, dynamics and reactivity toward amination of η3-allyl palladium complexes bearing mixed ancillary ligands. Evaluation of the electronic characteristics of the ligands from kinetic data.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","966","981","10.1039/c0dt00811g","","","0.71073","MoKα","","0.0337","0.0264","","","0.075","0.0769","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014427","9.6236","0.0002","9.6236","0.0002","35.6392","0.0008","90","","90","","120","","2858.47","0.11","295","","295","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C18 H49 K3 N12 Ni3 O17 -","- C18 H45 K3 N12 Ni3 O17 -","- C54 H135 K9 N36 Ni9 O51 -","3","0.5","","Bacco, Dimitri; Bertolasi, Valerio; Dallavalle, Francesco; Galliera, Lorenzo; Marchetti, Nicola; Marchiò, Luciano; Remelli, Maurizio; Tegoni, Matteo","Metallacrowns of Ni(ii) with α-aminohydroxamic acids in aqueous solution: beyond a 12-MC-4, an unexpected (vacant?) 15-MC-5","Dalton Transactions","2011","40","11","2491","","10.1039/c0dt00832j","","","0.71073","MoKα","","0.0485","0.0403","","","0.0937","0.0978","","","","","","1.067","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014428","9.5051","0.0001","16.2268","0.0001","13.0872","0.0001","90","","95.074","0.001","90","","2010.63","0.03","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(Acetonitrile)(dichloro)(nitrosyl)bis(tricyclohexylphosphane)rhenium(I)","","- C38 H69 Cl2 N2 O P2 Re -","- C38 H69 Cl2 N2 O P2 Re -","- C76 H138 Cl4 N4 O2 P4 Re2 -","2","1","","Jiang, Yanfeng; Blacque, Olivier; Berke, Heinz","Probing the catalytic potential of chloro nitrosyl rhenium(i) complexes","Dalton Transactions","2011","40","11","2578","","10.1039/c0dt00842g","","","0.71073","MoKα","","0.0351","0.0296","","","0.0635","0.0658","","","","","","1.036","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014429","10.8035","0.0004","12.528","0.0005","15.6262","0.0006","79.631","0.003","86.029","0.003","75.399","0.003","2012.59","0.14","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","(Acetonitrile)(dichloro)(nitrosyl)bis[tri(4-methylphenyl)]rhenium(I)","","- C44 H45 Cl2 N2 O P2 Re -","- C44 H45 Cl2 N2 O P2 Re -","- C88 H90 Cl4 N4 O2 P4 Re2 -","2","1","","Jiang, Yanfeng; Blacque, Olivier; Berke, Heinz","Probing the catalytic potential of chloro nitrosyl rhenium(i) complexes","Dalton Transactions","2011","40","11","2578","","10.1039/c0dt00842g","","","0.71073","MoKα","","0.0526","0.0345","","","0.0733","0.0767","","","","","","0.981","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014430","9.5536","0.0004","9.5536","0.0004","17.1539","0.0018","90","","90","","90","","1565.66","0.19","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Strontium Tetrahydroxyberyllate","","","- Be H4 O4 Sr -","- Be H4 O4 Sr -","- Be16 H64 O64 Sr16 -","16","0.5","","Littlefield, Benjamin T. R.; Hinde, Christopher; Weller, Mark T.","Structure of the Be(OH)4(2-) anion.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","782","784","10.1039/c0dt00843e","","","0.71073","MoKα","","0.0514","0.0314","","","0.0865","0.1059","","","","","","1.103","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014431","11.6368","0.0013","12.5618","0.0013","14.784","0.002","87.969","0.008","78.924","0.007","64.993","0.004","1919.5","0.4","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H37 Cl3 O P2 Pt S2 -","- C40 H37 Cl3 O P2 Pt S2 -","- C80 H74 Cl6 O2 P4 Pt2 S4 -","2","1","","Mügge, Carolin; Rothenburger, Claudia; Beyer, Antje; Görls, Helmar; Gabbiani, Chiara; Casini, Angela; Michelucci, Elena; Landini, Ida; Nobili, Stefania; Mini, Enrico; Messori, Luigi; Weigand, Wolfgang","Structure, solution chemistry, antiproliferative actions and protein binding properties of non-conventional platinum(ii) compounds with sulfur and phosphorus donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2006","2016","10.1039/c0dt00845a","","","0.71073","MoKα","","0.1701","0.0894","","","0.1486","0.1753","","","","","","1.126","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014432","9.0685","0.0003","28.1277","0.0009","12.3952","0.0003","90","","103.898","0.002","90","","3069.16","0.16","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H34 O2.5 P2 Pt S2 -","- C29.5 H32 O2.5 P2 Pt S2 -","- C118 H128 O10 P8 Pt4 S8 -","4","1","","Mügge, Carolin; Rothenburger, Claudia; Beyer, Antje; Görls, Helmar; Gabbiani, Chiara; Casini, Angela; Michelucci, Elena; Landini, Ida; Nobili, Stefania; Mini, Enrico; Messori, Luigi; Weigand, Wolfgang","Structure, solution chemistry, antiproliferative actions and protein binding properties of non-conventional platinum(ii) compounds with sulfur and phosphorus donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2006","2016","10.1039/c0dt00845a","","","0.71073","MoKα","","0.1072","0.0638","","","0.1612","0.1845","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014433","15.6013","0.0006","18.2591","0.0007","10.9863","0.0004","90","","104.966","0.002","90","","3023.5","0.2","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O P2 Pt S2 -","- C31 H34 O P2 Pt S2 -","- C124 H136 O4 P8 Pt4 S8 -","4","1","","Mügge, Carolin; Rothenburger, Claudia; Beyer, Antje; Görls, Helmar; Gabbiani, Chiara; Casini, Angela; Michelucci, Elena; Landini, Ida; Nobili, Stefania; Mini, Enrico; Messori, Luigi; Weigand, Wolfgang","Structure, solution chemistry, antiproliferative actions and protein binding properties of non-conventional platinum(ii) compounds with sulfur and phosphorus donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2006","2016","10.1039/c0dt00845a","","","0.71073","MoKα","","0.0633","0.0386","","","0.0869","0.0979","","","","","","1.007","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014434","17.8444","0.0014","13.7455","0.0011","28.9636","0.0018","90","","90","","90","","7104.2","0.9","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H44 O P2 Pt S2 Si -","- C35 H44 O P2 Pt S2 Si -","- C280 H352 O8 P16 Pt8 S16 Si8 -","8","1","","Mügge, Carolin; Rothenburger, Claudia; Beyer, Antje; Görls, Helmar; Gabbiani, Chiara; Casini, Angela; Michelucci, Elena; Landini, Ida; Nobili, Stefania; Mini, Enrico; Messori, Luigi; Weigand, Wolfgang","Structure, solution chemistry, antiproliferative actions and protein binding properties of non-conventional platinum(ii) compounds with sulfur and phosphorus donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2006","2016","10.1039/c0dt00845a","","","0.71073","MoKα","","0.1576","0.0876","","","0.215","0.266","","","","","","1.018","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014435","9.1382","0.0003","25.8648","0.0009","12.1756","0.0004","90","","106.278","0.002","90","","2762.43","0.16","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O P2 Pt S2 -","- C29 H30 O P2 Pt S2 -","- C116 H120 O4 P8 Pt4 S8 -","4","1","","Mügge, Carolin; Rothenburger, Claudia; Beyer, Antje; Görls, Helmar; Gabbiani, Chiara; Casini, Angela; Michelucci, Elena; Landini, Ida; Nobili, Stefania; Mini, Enrico; Messori, Luigi; Weigand, Wolfgang","Structure, solution chemistry, antiproliferative actions and protein binding properties of non-conventional platinum(ii) compounds with sulfur and phosphorus donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2006","2016","10.1039/c0dt00845a","","","0.71073","MoKα","","0.1019","0.0569","","","0.1359","0.1598","","","","","","1.023","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014436","8.8038","0.0018","11.541","0.002","12.422","0.003","117.61","0.03","100.91","0.03","96.17","0.03","1070.2","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","diaqua hexaazido bis(1,2-bis(2-pyridyl)ethylene) tricobalt(ii)(1,2-bis(2-pyridyl)ethylene)","diaqua hexaazido bis(1,2-bis(2-pyridyl)ethylene) tricobalt(II)(1,2-bis(2-pyridyl)ethylene)","","- C36 H34 Co3 N24 O2 -","- C36 H34 Co3 N24 O2 -","- C36 H34 Co3 N24 O2 -","1","0.5","","Boonmak, Jaursup; Nakano, Motohiro; Youngme, Sujittra","Structural diversity and magnetic properties in 1D and 2D azido-bridged cobalt(II) complexes with 1,2-bis(2-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1254","1260","10.1039/c0dt00853b","","","0.71073","MoKα","","0.0651","0.0479","","","0.1153","0.156","","","","","","1.184","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014437","8.2902","0.0017","8.3224","0.0017","10.284","0.002","87.99","0.03","67.88","0.03","79.07","0.03","644.9","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","diazido bis(1,2-bis(2-pyridyl)ethylene)cobalt(ii)","diazido bis(1,2-bis(2-pyridyl)ethylene)cobalt(II)","","- C12 H10 Co N8 -","- C12 H10 Co N8 -","- C24 H20 Co2 N16 -","2","1","","Boonmak, Jaursup; Nakano, Motohiro; Youngme, Sujittra","Structural diversity and magnetic properties in 1D and 2D azido-bridged cobalt(II) complexes with 1,2-bis(2-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1254","1260","10.1039/c0dt00853b","","","0.71073","MoKα","","0.0723","0.0393","","","0.0771","0.1317","","","","","","1.263","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014438","6.6149","0.0013","30.137","0.006","8.2217","0.0016","90","","90.14","0.03","90","","1639","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Ca N2 O11 -","- C14 H14 Ca N2 O11 -","- C56 H56 Ca4 N8 O44 -","4","1","","Lazarescu, Ana; Shova, Sergiu; Bartolome, Juan; Alonso, Pablo; Arauzo, Ana; Balu, Alina M.; Simonov, Yuri A.; Gdaniec, Maria; Turta, Constantin; Filoti, George; Luque, Rafael","Heteronuclear (Co-Ca, Co-Ba) 2,3-pyridinedicarboxylate complexes: synthesis, structure and physico-chemical properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","463","471","10.1039/c0dt00858c","","","0.71073","MoKα","","0.098","0.0938","","","0.2235","0.2254","","","","","","1.015","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014439","8.8466","0.0003","11.3244","0.0005","11.4821","0.0004","102.232","0.003","91.49","0.003","106.382","0.003","1074.03","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Ba Co N2 O16 -","- C14 H22 Ba Co N2 O16 -","- C28 H44 Ba2 Co2 N4 O32 -","2","1","","Lazarescu, Ana; Shova, Sergiu; Bartolome, Juan; Alonso, Pablo; Arauzo, Ana; Balu, Alina M.; Simonov, Yuri A.; Gdaniec, Maria; Turta, Constantin; Filoti, George; Luque, Rafael","Heteronuclear (Co-Ca, Co-Ba) 2,3-pyridinedicarboxylate complexes: synthesis, structure and physico-chemical properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","463","471","10.1039/c0dt00858c","","","0.71073","MoKα","","0.02","0.0171","","","0.0409","0.0418","","","","","","1.047","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014440","8.819","0.0003","11.475","0.0003","11.759","0.0005","86.245","0.001","72.785","0.001","89.484","0.001","1134.17","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Ca Co N2 O17 -","- C14 H24 Ca Co N2 O17 -","- C28 H48 Ca2 Co2 N4 O34 -","2","1","","Lazarescu, Ana; Shova, Sergiu; Bartolome, Juan; Alonso, Pablo; Arauzo, Ana; Balu, Alina M.; Simonov, Yuri A.; Gdaniec, Maria; Turta, Constantin; Filoti, George; Luque, Rafael","Heteronuclear (Co-Ca, Co-Ba) 2,3-pyridinedicarboxylate complexes: synthesis, structure and physico-chemical properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","463","471","10.1039/c0dt00858c","","","0.71073","MoKα","","0.1217","0.0765","","","0.1773","0.1999","","","","","","1.074","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014441","14.8013","0.001","14.8132","0.001","15.2203","0.001","116.617","0.002","96.33","0.002","111.626","0.002","2616.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H35 Cu2 Mo3 N10 O14 -","- C50 H35 Cu2 Mo3 N10 O14 -","- C100 H70 Cu4 Mo6 N20 O28 -","2","1","","Li, Zuo-Xi; Ma, Hong; Chen, Shao-Long; Pan, Zhong-Da; Zeng, Yong-Fei; Wang, Xiu-Li; Bu, Xian-He","An unprecedented double-bridging interpenetrating α-Po network based on a new heterometallic cluster {Cu4Mo6}.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","31","34","10.1039/c0dt00860e","","","0.71073","MoKα","","0.075","0.0505","","","0.1064","0.115","","","","","","1.093","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014442","17.1133","0.0017","7.3409","0.0005","6.3272","0.0005","90","","107.724","0.007","90","","757.14","0.11","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","catena((bis(mu2-dicyanamido-N,N')-bis(pyridazine-N)- cobalt(ii))","catena[(bis(μ2-dicyanamido-N,N')-bis(pyridazine-N)-cobalt(II)]","","- C12 H8 Co N10 -","- C12 H8 Co N10 -","- C24 H16 Co2 N20 -","2","0.25","","Wriedt, Mario; Näther, Christian","Directed synthesis of μ-1,3,5 bridged dicyanamides by thermal decomposition of μ-1,5 bridged precursor compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","886","898","10.1039/c0dt00864h","","","0.71073","MoKα","","0.0321","0.0291","","","0.0765","0.0781","","","","","","1.061","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014443","17.234","0.003","7.4195","0.0009","6.378","0.001","90","","107.939","0.019","90","","775.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","catena[(bis(μ2-dicyanamido-N,N')-bis(pyridazine-N)-iron(II)]","","- C12 H8 Fe N10 -","- C12 H8 Fe N10 -","- C24 H16 Fe2 N20 -","2","0.25","","Wriedt, Mario; Näther, Christian","Directed synthesis of μ-1,3,5 bridged dicyanamides by thermal decomposition of μ-1,5 bridged precursor compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","886","898","10.1039/c0dt00864h","","","0.71073","MoKα","","0.0549","0.0474","","","0.111","0.1158","","","","","","1.125","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014444","6.3864","0.0005","7.4686","0.0005","9.0317","0.0007","72.962","0.006","71.112","0.006","87.684","0.006","389","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","catena[(bis(μ2-dicyanamido-N,N')-bis(pyridazine-N)-manganese(II)]","","- C12 H8 Mn N10 -","- C12 H8 Mn N10 -","- C12 H8 Mn N10 -","1","0.5","","Wriedt, Mario; Näther, Christian","Directed synthesis of μ-1,3,5 bridged dicyanamides by thermal decomposition of μ-1,5 bridged precursor compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","886","898","10.1039/c0dt00864h","","","0.71073","MoKα","","0.0329","0.0298","","","0.078","0.0793","","","","","","1.052","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014445","23.0307","0.0008","7.3474","0.0002","6.3121","0.0003","90","","90","","90","","1068.11","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","catena[(μ2-dicyanamido-N,N'')-(μ3-dicyanamido-N,N',N'')-(pyridazine-N)-cobalt(II)]","","- C8 H4 Co N8 -","- C8 H4 Co N8 -","- C32 H16 Co4 N32 -","4","0.5","","Wriedt, Mario; Näther, Christian","Directed synthesis of μ-1,3,5 bridged dicyanamides by thermal decomposition of μ-1,5 bridged precursor compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","886","898","10.1039/c0dt00864h","","","0.71073","MoKα","","0.0478","0.0433","","","0.0781","0.0795","","","","","","1.337","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014446","23.235","0.002","7.4044","0.0007","6.3484","0.0004","90","","90","","90","","1092.19","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","catena[(μ2-dicyanamido-N,N'')-(μ3-dicyanamido-N,N',N'')-(pyridazine-N)-iron(II)]","","- C8 H4 Fe N8 -","- C8 H4 Fe N8 -","- C32 H16 Fe4 N32 -","4","0.5","","Wriedt, Mario; Näther, Christian","Directed synthesis of μ-1,3,5 bridged dicyanamides by thermal decomposition of μ-1,5 bridged precursor compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","886","898","10.1039/c0dt00864h","","","0.71073","MoKα","","0.0433","0.033","","","0.0785","0.0822","","","","","","1.082","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014447","23.3983","0.00017","7.5143","0.0004","6.3676","0.0004","90","","90","","90","","1119.56","0.09","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","catena[(μ2-dicyanamido-N,N'')-(μ3-dicyanamido-N,N',N'')-(pyridazine-N)-manganese(II)]","","- C8 H4 Mn N8 -","- C8 H4 Mn N8 -","- C32 H16 Mn4 N32 -","4","0.5","","Wriedt, Mario; Näther, Christian","Directed synthesis of μ-1,3,5 bridged dicyanamides by thermal decomposition of μ-1,5 bridged precursor compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","886","898","10.1039/c0dt00864h","","","0.71073","MoKα","","0.0386","0.0326","","","0.0819","0.0844","","","","","","1.082","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014448","10.515","0.003","12.939","0.003","13.888","0.004","90","","95.035","0.006","90","","1882.2","0.9","250","2","250","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H37 Cl6 Nb O P Si2 Ta -","- C29 H37 Cl6 Nb O P Si2 Ta -","- C58 H74 Cl12 Nb2 O2 P2 Si4 Ta2 -","2","1","","Reguillo-Carmona, R.; Antiñolo, A.; García-Yuste, S.; López-Solera, I.; Otero, A.","Lewis base character of the phosphorus atom in phosphanido-niobocene complexes. Synthesis of new early‒early homo- and heterobimetallic entities","Dalton Transactions","2011","40","11","2622","","10.1039/c0dt00865f","","","0.71073","MoKα","","0.1064","0.0689","","","0.1283","0.1488","","","","","","1.025","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014449","12.025","0.0018","12.1588","0.0018","15.964","0.002","90.091","0.002","93.465","0.002","90.778","0.003","2329.6","0.6","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H53 Cl5 N Nb2 O2 P Si2 -","- C41 H53 Cl5 N Nb2 O2 P Si2 -","- C82 H106 Cl10 N2 Nb4 O4 P2 Si4 -","2","1","","Reguillo-Carmona, R.; Antiñolo, A.; García-Yuste, S.; López-Solera, I.; Otero, A.","Lewis base character of the phosphorus atom in phosphanido-niobocene complexes. Synthesis of new early‒early homo- and heterobimetallic entities","Dalton Transactions","2011","40","11","2622","","10.1039/c0dt00865f","","","0.71073","MoKα","","0.0952","0.0759","","","0.2044","0.2156","","","","","","1.314","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014450","12.308","0.0017","12.5821","0.0014","16.717","0.002","70.981","0.01","78.757","0.011","68.628","0.01","2270.6","0.5","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C56 H37.5 Cl1.5 N10 O Ti -","- C56 H37.5 Cl1.5 N10 O Ti -","- C112 H75 Cl3 N20 O2 Ti2 -","2","1","","Darwish, Wael; Seikel, Elisabeth; Käsmarker, Ralf; Harms, Klaus; Sundermeyer, Jörg","Synthesis and X-ray crystal structures of imido and ureato derivatives of titanium(iv) phthalocyanine and their application in the catalytic formation of carbodiimides by metathesis from isocyanates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1787","1794","10.1039/c0dt00867b","","x-ray","0.71073","MoKα","","0.1528","0.0678","","","0.1075","0.1321","","","","","","0.924","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014451","10.9544","0.0009","17.0865","0.0009","19.5582","0.0015","90","","104.568","0.006","90","","3543.1","0.5","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H33 N9 Ti -","- C44 H33 N9 Ti -","- C176 H132 N36 Ti4 -","4","1","","Darwish, Wael; Seikel, Elisabeth; Käsmarker, Ralf; Harms, Klaus; Sundermeyer, Jörg","Synthesis and X-ray crystal structures of imido and ureato derivatives of titanium(iv) phthalocyanine and their application in the catalytic formation of carbodiimides by metathesis from isocyanates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1787","1794","10.1039/c0dt00867b","","x-ray","0.71073","MoKα","","0.1001","0.0435","","","0.0748","0.0866","","","","","","0.866","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014452","19.519","0.004","20.011","0.004","11.887","0.002","90","","90","","90","","4643","1.5","113.1","","113.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H63 Mo N3 S5 -","- C46 H63 Mo N3 S5 -","- C184 H252 Mo4 N12 S20 -","4","1","","Sugimoto, Hideki; Tano, Hiroyuki; Suyama, Koichiro; Kobayashi, Tomoya; Miyake, Hiroyuki; Itoh, Shinobu; Mtei, Regina P.; Kirk, Martin L.","Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1119","1131","10.1039/c0dt00871k","","","0.7107","MoKα","","","0.051","","","","0.1261","","","","","","0.953","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014453","12.8056","0.0005","18.2219","0.0008","31.5759","0.0015","90","","90","","90","","7368","0.6","100.1","","100.1","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H52 Mo N2 O8 S5 -","- C28 H46 Mo N2 O8 S5 -","- C224 H368 Mo8 N16 O64 S40 -","8","1","","Sugimoto, Hideki; Tano, Hiroyuki; Suyama, Koichiro; Kobayashi, Tomoya; Miyake, Hiroyuki; Itoh, Shinobu; Mtei, Regina P.; Kirk, Martin L.","Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1119","1131","10.1039/c0dt00871k","","","0.7107","MoKα","","","0.0712","","","","0.1457","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014454","10.628","0.002","19.035","0.004","24.634","0.005","90","","107.256","0.002","90","","4759.2","1.7","113.1","","113.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 Mo N2 O S5 Se -","- C46 H66 Mo N2 O S5 Se -","- C184 H264 Mo4 N8 O4 S20 Se4 -","4","1","","Sugimoto, Hideki; Tano, Hiroyuki; Suyama, Koichiro; Kobayashi, Tomoya; Miyake, Hiroyuki; Itoh, Shinobu; Mtei, Regina P.; Kirk, Martin L.","Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1119","1131","10.1039/c0dt00871k","","","0.7107","MoKα","","","0.0568","","","","0.1686","","","","","","0.962","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014455","12.7676","0.0007","18.3036","0.001","31.9341","0.0017","90","","90","","90","","7462.8","0.7","100.1","","100.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H52 Mo N2 O8 S4 Se -","- C28 H46 Mo N2 O8 S4 Se -","- C224 H368 Mo8 N16 O64 S32 Se8 -","8","1","","Sugimoto, Hideki; Tano, Hiroyuki; Suyama, Koichiro; Kobayashi, Tomoya; Miyake, Hiroyuki; Itoh, Shinobu; Mtei, Regina P.; Kirk, Martin L.","Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1119","1131","10.1039/c0dt00871k","","","0.7107","MoKα","","","0.0566","","","","0.1689","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014456","14.733","0.009","8.778","0.005","17.409","0.011","90","","104.966","0.01","90","","2175","2","113.1","","113.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H60 Mo N2 O S4 -","- C44 H60 Mo N2 O S4 -","- C88 H120 Mo2 N4 O2 S8 -","2","1","","Sugimoto, Hideki; Tano, Hiroyuki; Suyama, Koichiro; Kobayashi, Tomoya; Miyake, Hiroyuki; Itoh, Shinobu; Mtei, Regina P.; Kirk, Martin L.","Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1119","1131","10.1039/c0dt00871k","","","0.71075","MoKα","","","0.0443","","","","0.1097","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014457","10.1409","0.0019","22.136","0.004","8.0822","0.0015","90","","100.913","0.002","90","","1781.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 I3 N2 Pb -","- C12 H11 I3 N2 Pb -","- C48 H44 I12 N8 Pb4 -","4","1","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","0.71073","MoKα","","0.0511","0.0301","","","0.0557","0.0617","","","","","","1.027","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014458","11.8306","0.0007","20.2084","0.0014","7.9333","0.0005","90","","98.925","0.006","90","","1873.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 I3 N2 Pb -","- C13 H13 I3 N2 Pb -","- C52 H52 I12 N8 Pb4 -","4","1","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","1.54178","CuKα","","0.1136","0.1015","","","0.3441","0.3591","","","","","","1.065","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014459","20.114","0.002","20.114","0.002","7.9255","0.0018","90","","90","","120","","2776.9","0.7","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C13 H10 I3 N3 Pb -","- C13 H10 I3 N3 Pb -","- C78 H60 I18 N18 Pb6 -","6","1","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","0.71073","MoKα","","0.1045","0.0584","","","0.1193","0.1412","","","","","","1.106","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014460","12.2054","0.0009","8.1916","0.0005","20.175","0.0011","90","","113.115","0.003","90","","1855.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br I3 N2 Pb -","- C12 H10 Br I3 N2 Pb -","- C48 H40 Br4 I12 N8 Pb4 -","4","1","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","0.71073","MoKα","","0.0867","0.0534","","","0.1235","0.1333","","","","","","0.837","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014461","12.0905","0.0005","8.2004","0.0003","19.9568","0.001","90","","112.369","0.004","90","","1829.77","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl I3 N2 Pb -","- C12 H10 Cl I3 N2 Pb -","- C48 H40 Cl4 I12 N8 Pb4 -","4","1","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","0.71073","MoKα","","0.0395","0.0308","","","0.0831","0.0849","","","","","","1.097","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014462","13.8838","0.0005","16.4673","0.0006","7.8911","0.0003","90","","90.357","0.003","90","","1804.1","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br I3 N2 Pb -","- C12 H10 Br I3 N2 Pb -","- C48 H40 Br4 I12 N8 Pb4 -","4","1","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","0.71073","MoKα","","0.1065","0.0931","","","0.2537","0.2571","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014463","13.819","0.01","16.772","0.012","7.911","0.006","90","","90","","90","","1834","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 I3 N2 Pb -","- C10.4 H10.4 I2.4 N1.6 Pb0.8 -","- C52 H52 I12 N8 Pb4 -","5","1.25","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","0.71073","MoKα","","0.2238","0.1998","","","0.5484","0.5764","","","","","","1.153","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014464","13.8862","0.0016","16.3785","0.0019","7.8922","0.0009","90","","90.884","0.002","90","","1794.7","0.4","296","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl I3 N2 Pb -","- C12 H10 Cl I3 N2 Pb -","- C48 H40 Cl4 I12 N8 Pb4 -","4","1","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","0.71073","MoKα","","0.0463","0.0279","","","0.0625","0.0681","","","","","","0.998","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014465","13.693","0.002","22.527","0.004","15.988","0.003","90","","126.139","0.016","90","","3982.8","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 F I3 N2 Pb -","- C12 H10 F I3 N2 Pb -","- C96 H80 F8 I24 N16 Pb8 -","8","1","","Duan, Hai-Bao; Zhao, Hai-Rong; Ren, Xiao-Ming; Zhou, Hong; Tian, Zheng-Fang; Jin, Wan-Qin","Inorganic-organic hybrid compounds based on face-sharing octahedral [PbI(3)](∞) chains: self-assemblies, crystal structures, and ferroelectric, photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1672","1683","10.1039/c0dt00875c","","","0.71073","MoKα","","0.0826","0.0608","","","0.1561","0.1657","","","","","","0.862","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014466","10.432","0.002","13.442","0.002","12.006","0.002","90","","107.818","0.005","90","","1602.8","0.5","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N O4 P S -","- C15 H18 N O4 P S -","- C60 H72 N4 O16 P4 S4 -","4","1","","Aluri, Bhaskar Reddy; Niaz, Basit; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim","P=C-N-heterocycles: synthesis of biaryl-type 1,3-benzazaphospholes with ortho-substituted phenyl or 2-heteroaryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","211","224","10.1039/c0dt00881h","","","0.71073","MoKα","","0.055","0.0391","","","0.0946","0.1002","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014467","8.32815","0.00009","11.8303","0.00012","20.9186","0.0002","90","","90","","90","","2060.99","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N2 P -","- C12 H9 N2 P -","- C96 H72 N16 P8 -","8","2","","Aluri, Bhaskar Reddy; Niaz, Basit; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim","P=C-N-heterocycles: synthesis of biaryl-type 1,3-benzazaphospholes with ortho-substituted phenyl or 2-heteroaryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","211","224","10.1039/c0dt00881h","","","1.54184","CuKα","","0.0216","0.0214","","","0.0561","0.0562","","","","","","1.034","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014468","12.5385","0.0014","11.329","0.0013","28.96","0.003","90","","102.099","0.004","90","","4022.4","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H36 N3 O3 P3 -","- C51 H36 N3 O3 P3 -","- C204 H144 N12 O12 P12 -","4","1","","Aluri, Bhaskar Reddy; Niaz, Basit; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim","P=C-N-heterocycles: synthesis of biaryl-type 1,3-benzazaphospholes with ortho-substituted phenyl or 2-heteroaryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","211","224","10.1039/c0dt00881h","","","0.71073","MoKα","","0.1367","0.0875","","","0.1528","0.1655","","","","","","1.103","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014469","16.625","0.002","16.625","0.002","21.725","0.005","90","","90","","120","","5200.1","1.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C56 H78 Mo6 N12 O25 -","- C56 H78 Mo6 N12 O25 -","- C168 H234 Mo18 N36 O75 -","3","0.166667","","Guo, Si-Xuan; Xie, Jingli; Gilbert-Wilson, Ryan; Birkett, Stephen L.; Bond, Alan M.; Wedd, Anthony G.","Synthesis and redox properties of triarylmethane dye cation salts of anions [M6O19]2- (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","356","366","10.1039/c0dt00882f","","","0.71073","MoKα","","0.0418","0.0409","","","0.1121","0.1131","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7014470","12.5743","0.0009","14.0029","0.0006","15.1688","0.001","90","","113.043","0.004","90","","2457.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 Fe N6 O4.5 -","- C24 H18 Cl2 Fe N6 O4.5 -","- C96 H72 Cl8 Fe4 N24 O18 -","4","1","","Roy, Amit Saha; Biswas, Manas Kumar; Weyhermüller, Thomas; Ghosh, Prasanta","Unsymmetrical diimine complexes of iron(II) and manganese(II): synthesis, structure and photoluminescence of an isomer.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","146","155","10.1039/c0dt00883d","","","0.71073","MoKα","","0.0658","0.0389","","","0.0736","0.0834","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014471","12.5083","0.0003","14.1086","0.0004","15.2964","0.0004","90","","112.822","0.003","90","","2488.1","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 Mn N6 O4.5 -","- C24 H18 Cl2 Mn N6 O4.5 -","- C96 H72 Cl8 Mn4 N24 O18 -","4","1","","Roy, Amit Saha; Biswas, Manas Kumar; Weyhermüller, Thomas; Ghosh, Prasanta","Unsymmetrical diimine complexes of iron(II) and manganese(II): synthesis, structure and photoluminescence of an isomer.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","146","155","10.1039/c0dt00883d","","","0.71073","MoKα","","0.0616","0.0427","","","0.0986","0.1085","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014472","12.99","0.003","13.619","0.003","19.278","0.004","101.81","0.03","96.14","0.03","93.73","0.03","3305.9","1.3","250","2","250","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H73 Al Mn2 Mo6 N8 O46 -","- C38 H41 Al Mn2 Mo6 N8 O41 -","- C76 H82 Al2 Mn4 Mo12 N16 O82 -","2","2","","Wu, Qiong; Chen, Wei-Lin; Liu, Ding; Liang, Chang; Li, Yang-Guang; Lin, Shi-Wei; Wang, Enbo","New class of organic-inorganic hybrid aggregates based on polyoxometalates and metal-Schiff-base.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","56","61","10.1039/c0dt00884b","","","0.71073","MoKα","","0.0706","0.0514","","","0.1255","0.145","","","","","","1.095","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014473","12.99","0.003","13.619","0.003","19.278","0.004","101.81","0.03","96.14","0.03","93.73","0.03","3305.9","1.3","250","2","250","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H60 Cr Mn2 Mo6 N8 O41 -","- C38 H41 Cr Mn2 Mo6 N8 O40.5 -","- C76 H82 Cr2 Mn4 Mo12 N16 O81 -","2","2","","Wu, Qiong; Chen, Wei-Lin; Liu, Ding; Liang, Chang; Li, Yang-Guang; Lin, Shi-Wei; Wang, Enbo","New class of organic-inorganic hybrid aggregates based on polyoxometalates and metal-Schiff-base.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","56","61","10.1039/c0dt00884b","","","0.71073","MoKα","","0.1213","0.0743","","","0.1726","0.1959","","","","","","1.069","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014474","12.47","0.0015","13.741","0.0019","16.466","0.002","95.73","0.003","104.781","0.003","92.138","0.002","2708.7","0.6","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C32 H60 Cl2 F12 N12 O14 P4 Ru S4 -","- C32 H60 Cl2 F12 N12 O14 P4 Ru S4 -","- C64 H120 Cl4 F24 N24 O28 P8 Ru2 S8 -","2","1","","Girotti, Rugiada; Romerosa, Antonio; Mañas, Sonia; Serrano-Ruiz, Manuel; Perutz, Robin","Photo-aquation of cis-[RuCl2(mPTA)4](CF3SO3)4 in water (mPTA = N-methyl-1,3,5-triaza-7-phosphaadamantane).","Dalton transactions (Cambridge, England : 2003)","2011","40","4","828","836","10.1039/c0dt00885k","","","0.71069","MoKα","","0.1038","0.0668","","","0.1423","0.163","","","","","","1.035","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014475","13.246","0.005","13.399","0.005","14.017","0.005","72.418","0.005","71.313","0.005","89.16","0.005","2237.2","1.4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C24 H45 Cl2 F9 N9 O11 P3 Ru S3 -","- C24 H45 Cl2 F9 N9 O11 P3 Ru S3 -","- C48 H90 Cl4 F18 N18 O22 P6 Ru2 S6 -","2","1","","Girotti, Rugiada; Romerosa, Antonio; Mañas, Sonia; Serrano-Ruiz, Manuel; Perutz, Robin","Photo-aquation of cis-[RuCl2(mPTA)4](CF3SO3)4 in water (mPTA = N-methyl-1,3,5-triaza-7-phosphaadamantane).","Dalton transactions (Cambridge, England : 2003)","2011","40","4","828","836","10.1039/c0dt00885k","","","0.71069","MoKα","","0.0866","0.059","","","0.1759","0.2219","","","","","","1.045","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014476","14.4588","0.0005","14.6814","0.0005","18.7976","0.0006","90","","102.063","0.001","90","","3902.2","0.2","273","2","273","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 Cl3 F6 N9 O7 P3 Ru S2 -","- C23 H45 Cl3 F6 N9 O7 P3 Ru S2 -","- C92 H180 Cl12 F24 N36 O28 P12 Ru4 S8 -","4","1","","Girotti, Rugiada; Romerosa, Antonio; Mañas, Sonia; Serrano-Ruiz, Manuel; Perutz, Robin","Photo-aquation of cis-[RuCl2(mPTA)4](CF3SO3)4 in water (mPTA = N-methyl-1,3,5-triaza-7-phosphaadamantane).","Dalton transactions (Cambridge, England : 2003)","2011","40","4","828","836","10.1039/c0dt00885k","","","0.71073","MoKα","","0.0481","0.0433","","","0.0987","0.106","","","","","","1.136","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014477","14.0188","0.0019","19.074","0.003","20.581","0.003","90","","92.079","0.003","90","","5499.6","1.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C51 H56 Cl2 Cr F20 N3 -","- C51 H56 Cl2 Cr F20 N3 -","- C204 H224 Cl8 Cr4 F80 N12 -","4","1","","Alonso, Pablo J.; Arauzo, Ana B.; García-Monforte, M Angeles; García-Rubio, Inés; Martín, Antonio; Menjón, Babil; Rillo, Conrado","Synthesis, characterisation and magnetic properties of octahedral chromium(III) compounds with six C-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","853","861","10.1039/c0dt00891e","","","0.71073","MoKα","","0.0692","0.0579","","","0.1189","0.1245","","","","","","1.072","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014478","11.969","0.0002","14.2368","0.0002","18.3719","0.0003","88.589","0.001","87.877","0.001","88.956","0.001","3127.01","0.09","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C59.75 H57.5 Cl3.5 Cr F20 N3 -","- C59.75 H57.5 Cl3.5 Cr F20 N3 -","- C119.5 H115 Cl7 Cr2 F40 N6 -","2","1","","Alonso, Pablo J.; Arauzo, Ana B.; García-Monforte, M Angeles; García-Rubio, Inés; Martín, Antonio; Menjón, Babil; Rillo, Conrado","Synthesis, characterisation and magnetic properties of octahedral chromium(III) compounds with six C-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","853","861","10.1039/c0dt00891e","","","0.71073","MoKα","","0.1184","0.0954","","","0.3208","0.3389","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014479","9.2913","0.0003","10.0233","0.0003","15.3463","0.0004","98.56","0.001","100.926","0.001","101.613","0.001","1348.33","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H17 B F6 N4 O8 Pt S2 -","- C22 H17 B F6 N4 O8 Pt S2 -","- C44 H34 B2 F12 N8 O16 Pt2 S4 -","2","1","","Hosseini, Simin S.; Bhadbhade, Mohan; Clarke, Ronald J.; Rutledge, Peter J.; Rendina, Louis M.","Synthesis, carbohydrate- and DNA-binding studies of cationic 2,2':6',2''-terpyridineplatinum(II) complexes containing N- and S-donor boronic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","506","513","10.1039/c0dt00892c","","","0.71073","MoKα","","0.0175","0.0168","","","0.0422","0.0426","","","","","","1.062","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014480","14.967","0.005","14.962","0.005","10.836","0.004","90","","92.494","0.005","90","","2424.3","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N6 O6 Zn -","- C23 H17 N6 O6 Zn -","- C92 H68 N24 O24 Zn4 -","4","1","","Ren, Chen; Hou, Lei; Liu, Bin; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Distinct structures of coordination polymers incorporating flexible triazole-based ligand: topological diversities, crystal structures and property studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","793","804","10.1039/c0dt00894j","","","0.71073","MoKα","","0.2002","0.0815","","","0.1734","0.231","","","","","","1.033","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014481","15.237","0.007","10.469","0.005","15.889","0.007","90","","91.075","0.007","90","","2534","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Co N6 O8 -","- C23 H25 Co N6 O8 -","- C92 H100 Co4 N24 O32 -","4","1","","Ren, Chen; Hou, Lei; Liu, Bin; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Distinct structures of coordination polymers incorporating flexible triazole-based ligand: topological diversities, crystal structures and property studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","793","804","10.1039/c0dt00894j","","","0.71073","MoKα","","0.1105","0.0642","","","0.1427","0.1686","","","","","","1.008","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014482","28.6","0.004","11.5539","0.0014","17.686","0.002","90","","116.123","0.002","90","","5247.2","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cu N6 O5 -","- C23 H17 Cu N6 O5 -","- C184 H136 Cu8 N48 O40 -","8","1","","Ren, Chen; Hou, Lei; Liu, Bin; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Distinct structures of coordination polymers incorporating flexible triazole-based ligand: topological diversities, crystal structures and property studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","793","804","10.1039/c0dt00894j","","","0.71073","MoKα","","0.1037","0.0755","","","0.2246","0.2557","","","","","","1.029","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014483","10.1765","0.0011","16.4109","0.0018","17.349","0.0015","90","","119.258","0.005","90","","2527.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H78 Cu4 N24 O25 -","- C108 H76 Cu4 N24 O25 -","- C108 H76 Cu4 N24 O25 -","1","0.25","","Ren, Chen; Hou, Lei; Liu, Bin; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Distinct structures of coordination polymers incorporating flexible triazole-based ligand: topological diversities, crystal structures and property studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","793","804","10.1039/c0dt00894j","","","0.71073","MoKα","","0.0543","0.0462","","","0.1137","0.1185","","","","","","1.037","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014484","9.301","0.002","10.576","0.003","14.184","0.003","86.683","0.003","84.712","0.004","77.508","0.003","1355.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Co3 N12 O14 -","- C54 H38 Co3 N12 O14 -","- C54 H38 Co3 N12 O14 -","1","0.5","","Ren, Chen; Hou, Lei; Liu, Bin; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Distinct structures of coordination polymers incorporating flexible triazole-based ligand: topological diversities, crystal structures and property studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","793","804","10.1039/c0dt00894j","","","0.71073","MoKα","","0.1141","0.0709","","","0.1913","0.2379","","","","","","1.046","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014485","14.8802","0.0015","18.604","0.0019","9.5356","0.001","90","","90","","90","","2639.8","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Co N6 O6 -","- C27 H20 Co N6 O6 -","- C108 H80 Co4 N24 O24 -","4","0.5","","Ren, Chen; Hou, Lei; Liu, Bin; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Distinct structures of coordination polymers incorporating flexible triazole-based ligand: topological diversities, crystal structures and property studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","793","804","10.1039/c0dt00894j","","","0.71073","MoKα","","0.0862","0.0597","","","0.161","0.1809","","","","","","1.04","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014486","17.3438","0.0012","6.9318","0.0003","21.7275","0.0014","90","","93.486","0.005","90","","2607.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cu N O5 -","- C11 H15 Cu N O5 -","- C88 H120 Cu8 N8 O40 -","8","2","","Puterová, Zita; Valentová, Jindra; Bojková, Zuzana; Kožíšek, Jozef; Devínsky, Ferdinand","Synthesis, crystal structure and antiradical effect of copper(II) Schiff base complexes containing five-, six- and unusual seven-membered rings.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1484","1490","10.1039/c0dt00901f","","","0.71073","MoKα","","0.0481","0.0272","","","0.0478","0.05","","","","","","0.604","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014487","6.1624","0.0002","25.7141","0.001","8.8937","0.0004","90","","109.076","0.004","90","","1331.91","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Puterová, Zita; Valentová, Jindra; Bojková, Zuzana; Kožíšek, Jozef; Devínsky, Ferdinand","Synthesis, crystal structure and antiradical effect of copper(II) Schiff base complexes containing five-, six- and unusual seven-membered rings.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1484","1490","10.1039/c0dt00901f","","","0.71073","MoKα","","0.0572","0.0453","","","0.1204","0.1239","","","","","","1.087","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014488","8.0368","0.0003","5.4782","0.0002","25.5765","0.0009","90","","91.251","0.003","90","","1125.79","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cu N O4 -","- C11 H13 Cu N O4 -","- C44 H52 Cu4 N4 O16 -","4","1","","Puterová, Zita; Valentová, Jindra; Bojková, Zuzana; Kožíšek, Jozef; Devínsky, Ferdinand","Synthesis, crystal structure and antiradical effect of copper(II) Schiff base complexes containing five-, six- and unusual seven-membered rings.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1484","1490","10.1039/c0dt00901f","","","0.71073","MoKα","","0.0667","0.0472","","","0.1167","0.1215","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014489","11.1131","0.0003","7.2051","0.0002","19.4251","0.0005","90","","105.527","0.001","90","","1498.62","0.07","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.0523","0.0444","","","0.1167","0.1227","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014490","12.827","0.0006","12.5383","0.0005","18.626","0.0008","90","","108.777","0.002","90","","2836.2","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C144 H112 N32 -","8","1","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.0552","0.0435","","","0.108","0.1154","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014491","9.2123","0.0004","10.0695","0.0005","13.2746","0.0006","102.508","0.003","93.81","0.003","97.941","0.003","1184.71","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 Ag2 F6 N6 O6 S2 -","- C48 H40 Ag2 F6 N6 O6 S2 -","- C48 H40 Ag2 F6 N6 O6 S2 -","1","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.1111","0.0691","","","0.1682","0.2092","","","","","","1.17","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014492","17.3749","0.0009","12.6487","0.0006","17.0711","0.0008","90","","118.616","0.002","90","","3293.4","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag2 F12 N6 Sb2 -","- C28 H22 Ag2 F12 N6 Sb2 -","- C112 H88 Ag8 F48 N24 Sb8 -","4","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.0947","0.0698","","","0.1206","0.1289","","","","","","1.219","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014493","10.1379","0.0002","9.5859","0.0002","15.9091","0.0004","90","","103.417","0.001","90","","1503.86","0.06","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Ag2 B2 F8 N6 O2 -","- C28 H22 Ag2 B2 F8 N6 O2 -","- C56 H44 Ag4 B4 F16 N12 O4 -","2","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.0335","0.0308","","","0.0674","0.069","","","","","","1.124","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014494","9.8577","0.0004","11.13","0.0004","11.5098","0.0005","118.056","0.001","92.695","0.002","107.912","0.001","1032.41","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H30 Ag2 F6 N6 O6 S2 -","- C42 H30 Ag2 F6 N6 O6 S2 -","- C42 H30 Ag2 F6 N6 O6 S2 -","1","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.043","0.0336","","","0.0688","0.0749","","","","","","1.069","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014495","10.3668","0.0003","13.6996","0.0004","13.8058","0.0004","90","","95.626","0.001","90","","1951.27","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Ag2 F12 N6 P2 -","- C40 H30 Ag2 F12 N6 P2 -","- C80 H60 Ag4 F24 N12 P4 -","2","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.0531","0.0405","","","0.1057","0.1137","","","","","","1.034","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014496","9.312","0.0003","10.4615","0.0003","12.4452","0.0004","112.286","0.002","94.953","0.002","101.894","0.002","1079.46","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Ag2 B2 F8 N8 -","- C44 H36 Ag2 B2 F8 N8 -","- C44 H36 Ag2 B2 F8 N8 -","1","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.0496","0.0449","","","0.1076","0.1105","","","","","","1.091","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014497","10.5431","0.0004","7.2584","0.0003","27.3348","0.0011","90","","93.822","0.002","90","","2087.17","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Ag2 B2 F8 N8 -","- C44 H36 Ag2 B2 F8 N8 -","- C88 H72 Ag4 B4 F16 N16 -","2","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.0533","0.0366","","","0.0888","0.097","","","","","","1.044","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014498","12.7","0.0003","20.4863","0.0005","18.5461","0.0005","90","","103.848","0.001","90","","4685","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Ag2 F6 N11 O6 S2 -","- C44 H34 Ag2 F6 N11 O6 S2 -","- C176 H136 Ag8 F24 N44 O24 S8 -","4","1","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","Dipyrrin based silver [2 + 2] metallamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","437","445","10.1039/c0dt00907e","","","0.71073","MoKα","","0.0485","0.0386","","","0.0821","0.0875","","","","","","1.18","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014499","11.678","0.002","13.501","0.003","22.62","0.005","76.07","0.03","81.03","0.03","86.86","0.03","3418.6","1.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Fe4 N2 O16 S4 -","- C23 H18 Fe4 N2 O16 S4 -","- C92 H72 Fe16 N8 O64 S16 -","4","2","","Song, Li-Cheng; Xie, Zhao-Jun; Liu, Xu-Feng; Ming, Jiang-Bo; Ge, Jian-Hua; Zhang, Xiao-Guang; Yan, Tian-Ying; Gao, Peng","Synthetic and structural studies on new diiron azadithiolate (ADT)-type model compounds for active site of [FeFe]hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","837","846","10.1039/c0dt00909a","","","0.71073","MoKα","","0.0526","0.0377","","","0.0741","0.0803","","","","","","1.023","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014500","9.6024","0.0019","13.745","0.003","26.295","0.005","90","","99.03","0.03","90","","3427.5","1.2","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Fe2 N O9 P S2 -","- C32 H30 Fe2 N O9 P S2 -","- C128 H120 Fe8 N4 O36 P4 S8 -","4","1","","Song, Li-Cheng; Xie, Zhao-Jun; Liu, Xu-Feng; Ming, Jiang-Bo; Ge, Jian-Hua; Zhang, Xiao-Guang; Yan, Tian-Ying; Gao, Peng","Synthetic and structural studies on new diiron azadithiolate (ADT)-type model compounds for active site of [FeFe]hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","837","846","10.1039/c0dt00909a","","","0.71073","MoKα","","0.0945","0.0541","","","0.0878","0.1024","","","","","","1.006","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014501","11.763","0.002","12.631","0.003","15.726","0.003","83.04","0.03","88.31","0.03","86.74","0.03","2315","0.8","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H45 Fe2 N O8 P2 S2 -","- C49 H45 Fe2 N O8 P2 S2 -","- C98 H90 Fe4 N2 O16 P4 S4 -","2","1","","Song, Li-Cheng; Xie, Zhao-Jun; Liu, Xu-Feng; Ming, Jiang-Bo; Ge, Jian-Hua; Zhang, Xiao-Guang; Yan, Tian-Ying; Gao, Peng","Synthetic and structural studies on new diiron azadithiolate (ADT)-type model compounds for active site of [FeFe]hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","837","846","10.1039/c0dt00909a","","","0.71073","MoKα","","0.0513","0.0404","","","0.1044","0.1116","","","","","","1.043","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014502","13.2061","0.0006","13.6364","0.0006","14.9448","0.0007","117.052","0.001","90.389","0.001","113.035","0.001","2148.99","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(Mn4(C48H28O4S4)2)(CHCl3)2","","","- C98 H58 Cl6 Mn4 O8 S8 -","- C98 H58 Cl6 Mn4 O8 S8 -","- C98 H58 Cl6 Mn4 O8 S8 -","1","0.5","","Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie","Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1849","1851","10.1039/c0dt00913j","","","0.71073","MoKα","","0.0782","0.0614","","","0.1615","0.1707","","","","","","1.146","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7014503","15.1007","0.0008","21.8774","0.0011","23.9036","0.0012","90","","99.005","0.001","90","","7799.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mn4(C48H28O4S4)2","","","- C96 H56 Mn4 O8 S8 -","- C96 H56 Mn4 O8 S8 -","- C384 H224 Mn16 O32 S32 -","4","1","","Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie","Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1849","1851","10.1039/c0dt00913j","","","0.71073","MoKα","","0.1031","0.0517","","","0.1137","0.1326","","","","","","1.015","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7014504","56.211","0.003","29.8431","0.0018","30.793","0.0018","90","","90","","90","","51656","5","187","2","187","2","","","","","","","","5","F d d 2","F 2 -2d","43","(Mn4(C48H28O4S4)2)2 (C60)","","","- C252 H112 Mn8 O16 S16 -","- C252 H112 Mn8 O16 S16 -","- C2016 H896 Mn64 O128 S128 -","8","0.5","","Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie","Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1849","1851","10.1039/c0dt00913j","","","0.71073","MoKα","","0.1287","0.0869","","","0.2144","0.2367","","","","","","0.948","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7014505","57.682","0.002","30.0183","0.0012","30.768","0.0013","90","","90","","90","","53275","4","187","2","187","2","","","","","","","","5","F d d 2","F 2 -2d","43","(Mn4(C48H28O4S4)2)2 (C70)","","","- C262 H112 Mn8 O16 S16 -","- C262 H112 Mn8 O16 S16 -","- C2096 H896 Mn64 O128 S128 -","8","0.5","","Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie","Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1849","1851","10.1039/c0dt00913j","","","0.71073","MoKα","","0.1303","0.0877","","","0.2176","0.2387","","","","","","0.956","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7014506","33.47","0.002","14.4254","0.0009","37.212","0.002","90","","90.3","0.001","90","","17966.4","1.8","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Mn4(C48H28O4S4)2) (C60)2","","","- C216 H56 Mn4 O8 S8 -","- C216 H56 Mn4 O8 S8 -","- C864 H224 Mn16 O32 S32 -","4","0.5","","Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie","Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1849","1851","10.1039/c0dt00913j","","","0.71073","MoKα","","0.0871","0.0612","","","0.1718","0.1854","","","","","","0.991","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7014507","13.1865","0.0005","13.2457","0.0005","18.9036","0.0007","96.814","0.003","103.403","0.002","93.479","0.002","3175.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H130 Cu8 N20 O47 -","- C124 H130 Cu8 N20 O47 -","- C124 H130 Cu8 N20 O47 -","1","0.5","","Yan, Shao-Hua; Zheng, Xiang-Jun; Li, Li-Cun; Yuan, Da-Qiang; Jin, Lin-Pei","Self-assembly and characterization of copper 3,4-pyridinedicarboxylate complexes based on a variety of polynuclear hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1758","1767","10.1039/c0dt00917b","","","0.71073","MoKα","","0.0569","0.0389","","","0.0936","0.1029","","","","","","1.022","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014508","19.5404","0.0004","13.6621","0.0003","26.2612","0.0005","90","","108.933","0.001","90","","6631.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H65 Cu4 N10 O23.5 -","- C62 H62 Cu4 N10 O23.5 -","- C248 H248 Cu16 N40 O94 -","4","1","","Yan, Shao-Hua; Zheng, Xiang-Jun; Li, Li-Cun; Yuan, Da-Qiang; Jin, Lin-Pei","Self-assembly and characterization of copper 3,4-pyridinedicarboxylate complexes based on a variety of polynuclear hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1758","1767","10.1039/c0dt00917b","","","0.71073","MoKα","","0.0722","0.0504","","","0.1395","0.1531","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014509","13.6241","0.0001","15.2232","0.0002","32.1128","0.0003","86.281","0.001","78.857","0.001","89.852","0.001","6520.61","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H130 Cu8 N20 O47 -","- C124 H120 Cu8 N20 O47 -","- C248 H240 Cu16 N40 O94 -","2","1","","Yan, Shao-Hua; Zheng, Xiang-Jun; Li, Li-Cun; Yuan, Da-Qiang; Jin, Lin-Pei","Self-assembly and characterization of copper 3,4-pyridinedicarboxylate complexes based on a variety of polynuclear hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1758","1767","10.1039/c0dt00917b","","","0.71073","MoKα","","0.0856","0.0478","","","0.1166","0.1337","","","","","","1.012","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014510","11.0972","0.0001","11.1454","0.0001","11.5068","0.0001","81.482","0.001","84.078","0.001","69.733","0.001","1318.29","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 Cu3.5 N4 O11 -","- C26 H17 Cu3.5 N4 O11 -","- C52 H34 Cu7 N8 O22 -","2","1","","Yan, Shao-Hua; Zheng, Xiang-Jun; Li, Li-Cun; Yuan, Da-Qiang; Jin, Lin-Pei","Self-assembly and characterization of copper 3,4-pyridinedicarboxylate complexes based on a variety of polynuclear hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1758","1767","10.1039/c0dt00917b","","","0.71073","MoKα","","0.0306","0.0254","","","0.0665","0.0691","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014511","15.9776","0.0001","25.1208","0.0001","27.1871","0.0002","113.86","0.001","94.394","0.001","94.259","0.001","9883.66","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(K(2,2,2-crypt))6(In(P7)2)2*7py","[K(2,2,2-crypt)]6[In(P7)2]2*7py","","- C143 H251 In2 K6 N19 O36 P28 -","- C143 H251 In2 K6 N19 O36 P28 -","- C286 H502 In4 K12 N38 O72 P56 -","2","1","","Knapp, Caroline M.; Large, Joseph S.; Rees, Nicholas H.; Goicoechea, Jose M.","A versatile salt-metathesis route to heteroatomic clusters derived from phosphorus and arsenic Zintl anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","735","745","10.1039/c0dt00918k","","","0.71073","MoKα","","0.1057","0.0462","","","0.0905","0.1064","","","","","","1.012","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014512","12.1833","0.0001","20.501","0.0002","25.6093","0.0003","66.999","0.001","79.25","0.001","87.895","0.001","5779.95","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(K(2,2,2-crypt))2(TlP7)*py","[K(2,2,2-crypt)]2[TlP7]*py","","- C41 H77 K2 N5 O12 P7 Tl -","- C41 H77 K2 N5 O12 P7 Tl -","- C164 H308 K8 N20 O48 P28 Tl4 -","4","2","","Knapp, Caroline M.; Large, Joseph S.; Rees, Nicholas H.; Goicoechea, Jose M.","A versatile salt-metathesis route to heteroatomic clusters derived from phosphorus and arsenic Zintl anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","735","745","10.1039/c0dt00918k","","","0.71073","MoKα","","0.1252","0.0672","","","0.181","0.1999","","","","","","1.04","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014513","18.8701","0.0003","11.4835","0.0003","20.8037","0.0003","90","","107.83","0.001","90","","4291.53","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(K(18-crown-6))2(TlAs7)","[K(18-crown-6)]2[TlAs7]","","- C24 H48 As7 K2 O12 Tl -","- C24 H48 As7 K2 O12 Tl -","- C96 H192 As28 K8 O48 Tl4 -","4","1","","Knapp, Caroline M.; Large, Joseph S.; Rees, Nicholas H.; Goicoechea, Jose M.","A versatile salt-metathesis route to heteroatomic clusters derived from phosphorus and arsenic Zintl anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","735","745","10.1039/c0dt00918k","","","0.71073","MoKα","","0.0806","0.0704","","","0.1869","0.191","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014514","23.848","0.0003","24.4219","0.0004","30.8233","0.0004","90","","90","","90","","17951.9","0.4","150","2","150","2","","","","","","","","7","I b c a","-I 2b 2c","73","(K(2,2,2-crypt))3(SnP15)*en","[K(2,2,2-crypt)]3[SnP15]*en","","- C56 H116 K3 N8 O18 P15 Sn -","- C56 H116.02 K3 N8 O18 P15 Sn -","- C448 H928.16 K24 N64 O144 P120 Sn8 -","8","0.5","","Knapp, Caroline M.; Large, Joseph S.; Rees, Nicholas H.; Goicoechea, Jose M.","A versatile salt-metathesis route to heteroatomic clusters derived from phosphorus and arsenic Zintl anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","735","745","10.1039/c0dt00918k","","","0.71073","MoKα","","0.0902","0.0638","","","0.142","0.1603","","","","","","1.026","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014515","23.8547","0.0002","24.2093","0.0002","30.8457","0.0003","90","","90","","90","","17813.6","0.3","150","2","150","2","","","","","","","","7","I b c a","-I 2b 2c","73","(K(2,2,2-crypt))3(PbP15)*en","[K(2,2,2-crypt)]3[PbP15]*en","","- C56 H116 K3 N8 O18 P15 Pb -","- C56 H116.02 K3 N8 O18 P15 Pb -","- C448 H928.16 K24 N64 O144 P120 Pb8 -","8","0.5","","Knapp, Caroline M.; Large, Joseph S.; Rees, Nicholas H.; Goicoechea, Jose M.","A versatile salt-metathesis route to heteroatomic clusters derived from phosphorus and arsenic Zintl anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","735","745","10.1039/c0dt00918k","","","0.71073","MoKα","","0.0947","0.0847","","","0.1748","0.1779","","","","","","1.172","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014516","17.0409","0.0001","18.345","0.0002","30.3204","0.0003","90","","93.783","0.001","90","","9457.97","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(K(2,2,2-crypt))3(SnAs15)*2en","[K(2,2,2-crypt)]3[SnAs15]*2en","","- C58 H124 As15 K3 N10 O18 Sn -","- C58 H124.04 As15 K3 N10 O18 Sn -","- C232 H496.16 As60 K12 N40 O72 Sn4 -","4","1","","Knapp, Caroline M.; Large, Joseph S.; Rees, Nicholas H.; Goicoechea, Jose M.","A versatile salt-metathesis route to heteroatomic clusters derived from phosphorus and arsenic Zintl anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","735","745","10.1039/c0dt00918k","","","0.71073","MoKα","","0.0751","0.0551","","","0.1408","0.1502","","","","","","1.039","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014517","10.035","0.003","13.078","0.004","14.492","0.005","90.443","0.014","100.661","0.012","105.34","0.011","1799.3","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 Co2 N4 O7 -","- C38 H40 Co2 N4 O7 -","- C76 H80 Co4 N8 O14 -","2","1","","Banerjee, Sambuddha; Nandy, Madhusudan; Sen, Soma; Mandal, Sandip; Rosair, Georgina M.; Slawin, Alexandra M. Z.; Gómez García, Carlos J; Clemente-Juan, Juan M; Zangrando, Ennio; Guidolin, Nicol; Mitra, Samiran","Isolation of four new Co(II)/Co(III) and Ni(II) complexes with a pentadentate Schiff base ligand: syntheses, structural descriptions and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1652","1661","10.1039/c0dt00923g","","","0.71073","MoKα","","0.1533","0.1032","","","0.1486","0.165","","","","","","1.159","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014518","10.347","0.005","9.598","0.004","22.172","0.011","90","","90.676","0.015","90","","2201.8","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N4 Ni4 O12 -","- C40 H52 N4 Ni4 O12 -","- C80 H104 N8 Ni8 O24 -","2","0.5","","Banerjee, Sambuddha; Nandy, Madhusudan; Sen, Soma; Mandal, Sandip; Rosair, Georgina M.; Slawin, Alexandra M. Z.; Gómez García, Carlos J; Clemente-Juan, Juan M; Zangrando, Ennio; Guidolin, Nicol; Mitra, Samiran","Isolation of four new Co(II)/Co(III) and Ni(II) complexes with a pentadentate Schiff base ligand: syntheses, structural descriptions and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1652","1661","10.1039/c0dt00923g","","","0.71073","MoKα","","0.0995","0.0441","","","0.1064","0.1452","","","","","","1.041","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014519","11.983","0.003","13.084","0.003","16.634","0.004","86.68","0.02","88.72","0.03","65.55","0.02","2370.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Co4 N6 O18 -","- C40 H52 Co4 N6 O18 -","- C80 H104 Co8 N12 O36 -","2","1","","Banerjee, Sambuddha; Nandy, Madhusudan; Sen, Soma; Mandal, Sandip; Rosair, Georgina M.; Slawin, Alexandra M. Z.; Gómez García, Carlos J; Clemente-Juan, Juan M; Zangrando, Ennio; Guidolin, Nicol; Mitra, Samiran","Isolation of four new Co(II)/Co(III) and Ni(II) complexes with a pentadentate Schiff base ligand: syntheses, structural descriptions and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1652","1661","10.1039/c0dt00923g","","","0.71073","MoKα","","0.0841","0.0533","","","0.1449","0.1574","","","","","","0.926","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014520","4.286","0.001","4.286","0.001","7.557","0.001","90","","90","","120","","120.22","0.04","150","","150","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0257","0.0238","","","0.032","0.0326","","","","1.18","1.18","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014521","4.255","0.001","4.255","0.001","7.498","0.001","90","","90","","120","","117.56","0.04","293","","293","","2120000","","2120000","","","","BaThF6_anharmonic_2.12GPa","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.0531","0.0531","","","0.0539","0.0539","","","","3.57","3.57","3.57","","","","has coordinates","282883","2023-04-27","16:14:28",""
"7014522","4.29","0.001","4.29","0.001","7.56","0.001","90","","90","","120","","120.49","0.04","200","","200","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0257","0.0234","","","0.0319","0.0327","","","","1","1","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014523","4.293","0.001","4.293","0.001","7.568","0.001","90","","90","","120","","120.79","0.04","250","","250","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0244","0.0231","","","0.0325","0.0329","","","","1.87","1.87","1.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014524","4.217","0.001","4.217","0.001","7.431","0.001","90","","90","","120","","114.44","0.04","293","","293","","4090000","","4090000","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.0496","0.0496","","","0.0542","0.0542","","","","3.76","3.76","3.76","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014525","4.296","0.001","4.296","0.001","7.571","0.001","90","","90","","120","","121.01","0.04","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0228","0.0216","","","0.0309","0.0316","","","","1.67","1.67","1.66","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014526","4.286","0.001","4.286","0.001","7.557","0.001","90","","90","","120","","120.22","0.04","150","","150","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0846","0.0737","","","0.2014","0.2031","","","","7.4","7.4","7.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014527","4.255","0.001","4.255","0.001","7.498","0.001","90","","90","","120","","117.56","0.04","293","","293","","2120000","","2120000","","","","BaThF6_ideal_2.12GPa","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.0683","0.0683","","","0.0743","0.0743","","","","4.9","4.9","4.9","","","","has coordinates","282883","2023-04-27","16:14:28",""
"7014528","4.29","0.001","4.29","0.001","7.56","0.001","90","","90","","120","","120.49","0.04","200","","200","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0823","0.0686","","","0.1848","0.1877","","","","5.79","5.79","5.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014529","4.293","0.001","4.293","0.001","7.568","0.001","90","","90","","120","","120.79","0.04","250","","250","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0776","0.07","","","0.2082","0.2093","","","","11.96","11.96","11.58","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014531","4.296","0.001","4.296","0.001","7.571","0.001","90","","90","","120","","121.01","0.04","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6 Th -","- Ba F6 Th -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0778","0.0709","","","0.2179","0.2192","","","","11.79","11.79","11.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014532","4.286","0.001","4.286","0.001","7.557","0.001","90","","90","","120","","120.22","0.04","150","","150","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0261","0.024","","","0.0393","0.0398","","","","1.46","1.46","1.4","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014533","4.255","0.001","4.255","0.001","7.498","0.001","90","","90","","120","","117.56","0.04","293","","293","","2120000","","2120000","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.0511","0.0511","","","0.0497","0.0497","","","","3.34","3.34","3.34","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014534","4.29","0.001","4.29","0.001","7.56","0.001","90","","90","","120","","120.49","0.04","200","","200","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.0257","0.0232","","","0.0368","0.0375","","","","1.16","1.16","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014535","4.293","0.001","4.293","0.001","7.568","0.001","90","","90","","120","","120.79","0.04","250","","250","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.025","0.0234","","","0.0397","0.04","","","","2.3","2.3","2.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014536","4.217","0.001","4.217","0.001","7.431","0.001","90","","90","","120","","114.44","0.04","293","","293","","4090000","","4090000","","","","","3","P 63/m m c","-P 6c 2c","194","barium thorium hexafluorid","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.4","Synchrotron","","0.046","0.046","","","0.0491","0.0491","","","","3.45","3.45","3.45","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014537","4.296","0.001","4.296","0.001","7.571","0.001","90","","90","","120","","121.01","0.04","293","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","barium thorium hexafluorid","","- Ba F6 Th -","- Ba F6.0008 Th1.0002 -","- Ba F6.0008 Th1.0002 -","1","0.0416667","","Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej","Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1902","1910","10.1039/c0dt00924e","","","0.47686","synchrotron","","0.022","0.0206","","","0.0386","0.0391","","","","2.1","2.1","2.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014538","12.593","0.003","18.466","0.005","19.534","0.005","90","","99.92","0.01","90","","4475","2","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Co N2 O2 P4 Se2 -","- C48 H40 Co N2 O2 P4 Se2 -","- C192 H160 Co4 N8 O8 P16 Se8 -","4","1","","Ferentinos, Eleftherios; Maganas, Dimitrios; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Robertson, Neil; Kyritsis, Panayotis","Conversion of tetrahedral to octahedral structures upon solvent coordination: studies on the M[(OPPh2)(SePPh2)N]2 (M = Co, Ni) and [Ni{(OPPh2)(EPPh2)N}2(dmf)2] (E = S, Se) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","169","180","10.1039/c0dt00928h","","","0.71073","MoKα","","0.0712","0.0495","","","0.1193","0.1313","","","","","","1.103","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014539","12.602","0.005","18.425","0.007","19.582","0.008","90","","100.14","0.01","90","","4476","3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N2 Ni O2 P4 Se2 -","- C48 H40 N2 Ni O2 P4 Se2 -","- C192 H160 N8 Ni4 O8 P16 Se8 -","4","1","","Ferentinos, Eleftherios; Maganas, Dimitrios; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Robertson, Neil; Kyritsis, Panayotis","Conversion of tetrahedral to octahedral structures upon solvent coordination: studies on the M[(OPPh2)(SePPh2)N]2 (M = Co, Ni) and [Ni{(OPPh2)(EPPh2)N}2(dmf)2] (E = S, Se) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","169","180","10.1039/c0dt00928h","","","0.71073","MoKα","","0.0871","0.0581","","","0.136","0.1537","","","","","","1.123","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014540","9.3092","0.0002","10.3818","0.0002","13.2729","0.0002","89.175","0.001","85.612","0.001","84.502","0.001","1273.1","0.04","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 N4 Ni O4 P4 S2 -","- C54 H54 N4 Ni O4 P4 S2 -","- C54 H54 N4 Ni O4 P4 S2 -","1","0.5","","Ferentinos, Eleftherios; Maganas, Dimitrios; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Robertson, Neil; Kyritsis, Panayotis","Conversion of tetrahedral to octahedral structures upon solvent coordination: studies on the M[(OPPh2)(SePPh2)N]2 (M = Co, Ni) and [Ni{(OPPh2)(EPPh2)N}2(dmf)2] (E = S, Se) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","169","180","10.1039/c0dt00928h","","","0.71073","MoKα","","0.0251","0.024","","","0.0632","0.0637","","","","","","1.062","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014541","9.326","0.004","10.505","0.005","13.5","0.006","88.89","0.01","86.33","0.01","85.3","0.01","1315.3","1","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 N4 Ni O4 P4 Se2 -","- C54 H54 N4 Ni O4 P4 Se2 -","- C54 H54 N4 Ni O4 P4 Se2 -","1","0.5","","Ferentinos, Eleftherios; Maganas, Dimitrios; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Robertson, Neil; Kyritsis, Panayotis","Conversion of tetrahedral to octahedral structures upon solvent coordination: studies on the M[(OPPh2)(SePPh2)N]2 (M = Co, Ni) and [Ni{(OPPh2)(EPPh2)N}2(dmf)2] (E = S, Se) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","169","180","10.1039/c0dt00928h","","","0.71073","MoKα","","0.0458","0.0394","","","0.1033","0.1088","","","","","","1.062","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014542","9.911","0.002","11.151","0.002","11.534","0.002","88.23","0.03","71.51","0.03","82.74","0.03","1199.2","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cd Cl2 N2 O4 -","- C26 H18 Cd Cl2 N2 O4 -","- C52 H36 Cd2 Cl4 N4 O8 -","2","1","","Liu, Dong; Li, Ni-Ya; Lang, Jian-Ping","Single-crystal to single-crystal transformation of 1D coordination polymer via photochemical [2+2] cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2170","2172","10.1039/c0dt00931h","","","0.71073","MoKα","","0.0277","0.0242","","","0.0576","0.0584","","","","","","1.037","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014543","10.196","0.002","10.634","0.002","11.847","0.002","88.76","0.03","70.26","0.03","83.15","0.03","1200.1","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cd Cl2 N2 O4 -","- C26 H18 Cd Cl2 N2 O4 -","- C52 H36 Cd2 Cl4 N4 O8 -","2","1","","Liu, Dong; Li, Ni-Ya; Lang, Jian-Ping","Single-crystal to single-crystal transformation of 1D coordination polymer via photochemical [2+2] cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2170","2172","10.1039/c0dt00931h","","","0.71073","MoKα","","0.0393","0.0303","","","0.0656","0.0691","","","","","","1.069","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014544","17.419","0.004","9.1351","0.0018","15.583","0.003","90","","90","","90","","2479.6","0.9","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H24 Cd Cl2 N4 O2 -","- C24 H24 Cd Cl2 N4 O2 -","- C96 H96 Cd4 Cl8 N16 O8 -","4","0.5","","Liu, Dong; Li, Ni-Ya; Lang, Jian-Ping","Single-crystal to single-crystal transformation of 1D coordination polymer via photochemical [2+2] cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2170","2172","10.1039/c0dt00931h","","","0.71073","MoKα","","0.0617","0.0536","","","0.1391","0.147","","","","","","1.113","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014545","11.9529","0.0019","13.509","0.002","14.2512","0.0015","87.561","0.002","69.562","0.003","81.836","0.002","2134.4","0.5","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H90 B20 Cl2 Co2 N4 O5 S4 -","- C77 H90 B20 Cl2 Co2 N4 O5 S4 -","- C77 H90 B20 Cl2 Co2 N4 O5 S4 -","1","0.5","","Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong","Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2306","2313","10.1039/c0dt00933d","","","0.71073","MoKα","","0.0806","0.0617","","","0.1223","0.1272","","","","","","1.046","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014546","10.6371","0.0018","24.112","0.004","13.67","0.002","90","","98.048","0.003","90","","3471.6","1","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 B10 Cl2 Co O4 S2 -","- C27 H35 B10 Cl2 Co O4 S2 -","- C108 H140 B40 Cl8 Co4 O16 S8 -","4","1","","Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong","Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2306","2313","10.1039/c0dt00933d","","","0.71073","MoKα","","0.0952","0.0621","","","0.132","0.1401","","","","","","1.034","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014547","12.139","0.004","17.654","0.006","22.922","0.008","83.022","0.005","77.764","0.004","84.995","0.005","4755","3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H33 B10 Co O4 S2 -","- C26 H33 B10 Co O4 S2 -","- C156 H198 B60 Co6 O24 S12 -","6","3","","Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong","Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2306","2313","10.1039/c0dt00933d","","","0.71073","MoKα","","0.0851","0.0561","","","0.1277","0.1334","","","","","","1.098","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014548","12.229","0.003","13.2583","0.0019","14.151","0.003","98.886","0.003","115.027","0.002","99.529","0.003","1984.5","0.7","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H45 B10 Co Fe2 O2 S2 -","- C38 H45 B10 Co Fe2 O2 S2 -","- C76 H90 B20 Co2 Fe4 O4 S4 -","2","1","","Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong","Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2306","2313","10.1039/c0dt00933d","","","0.71073","MoKα","","0.089","0.0643","","","0.1496","0.1549","","","","","","1.155","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014549","11.4165","0.0008","34.409","0.002","11.6256","0.0008","90","","107.41","0.001","90","","4357.7","0.5","291","2","291","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H47 B10 Cl2 Co Fe2 O2 S2 -","- C39 H47 B10 Cl2 Co Fe2 O2 S2 -","- C156 H188 B40 Cl8 Co4 Fe8 O8 S8 -","4","2","","Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong","Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2306","2313","10.1039/c0dt00933d","","","0.71073","MoKα","","0.0805","0.0588","","","0.1342","0.1397","","","","","","1.145","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014550","10.968","0.002","18.694","0.004","18.866","0.003","115.2","0.02","94.599","0.01","107.04","0.03","3251.1","1.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H76 B20 Cl2 Co2 S4 -","- C57 H76 B20 Cl2 Co2 S4 -","- C114 H152 B40 Cl4 Co4 S8 -","2","1","","Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong","Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2306","2313","10.1039/c0dt00933d","","","0.71073","MoKα","","0.0914","0.0613","","","0.1357","0.1465","","","","","","1.091","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014551","18.735","0.002","8.2877","0.0009","19.7558","0.0016","90","","119.171","0.007","90","","2678.4","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 B10 Co O4 S2 -","- C18 H31 B10 Co O4 S2 -","- C72 H124 B40 Co4 O16 S8 -","4","1","","Ye, Hong-De; Ding, Guan-Yu; Xie, Ming-Shi; Li, Yi-Zhi; Yan, Hong","Reactivity of the 16e Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2306","2313","10.1039/c0dt00933d","","","0.71073","MoKα","","0.0652","0.0496","","","0.1035","0.1076","","","","","","1.092","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014552","23.6552","0.0013","25.0045","0.0011","17.5305","0.0011","90","","120.109","0.008","90","","8970","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N4 O2 Pd -","- C24 H26 N4 O2 Pd -","- C384 H416 N64 O32 Pd16 -","16","2","","Deibel, Naina; Schweinfurth, David; Huebner, Ralph; Braunstein, Pierre; Sarkar, Biprajit","'Double redox-activity' in azobenzene-quinonoid palladium(II) complexes: a combined structural, electrochemical and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","431","436","10.1039/c0dt00944j","","","0.71073","MoKα","","0.0569","0.0402","","","0.0875","0.092","","","","","","1.035","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014553","18.772","0.004","17.624","0.004","16.807","0.003","90","","101.33","0.03","90","","5452","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Ag2 N4 O8 -","- C29 H24 Ag2 N4 O8 -","- C232 H192 Ag16 N32 O64 -","8","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Du, Chen-Xia; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, structures and properties of two unusual silver-organic coordination networks: 1D→1D tubular intertwinement and existence of an infinite winding water chain.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","788","792","10.1039/c0dt00949k","","","0.71073","MoKα","","0.0498","0.0439","","","0.0854","0.0888","","","","","","1.088","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014554","12.906","0.003","22.606","0.004","17.613","0.006","90","","126.56","0.02","90","","4128","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Ag3 N6 O14 -","- C39 H43 Ag3 N6 O14 -","- C156 H172 Ag12 N24 O56 -","4","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Du, Chen-Xia; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, structures and properties of two unusual silver-organic coordination networks: 1D→1D tubular intertwinement and existence of an infinite winding water chain.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","788","792","10.1039/c0dt00949k","","","0.71073","MoKα","","0.0709","0.0544","","","0.1066","0.116","","","","","","1.078","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014555","11.4121","0.0019","13.054","0.002","17.391","0.003","103.191","0.003","103.093","0.003","108.014","0.003","2271.9","0.7","291","2","291","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H102 B2 Co2 Cu2 Fe2 N18 O24 P6 -","- C58 H102 B2 Co2 Cu2 Fe2 N18 O24 P6 -","- C58 H102 B2 Co2 Cu2 Fe2 N18 O24 P6 -","1","0.5","","Kang, Ling-Chen; Yao, Min-Xia; Chen, Xin; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hexanuclear Fe(III)(2)Co(III)(2)M(II)(2) (M = Cu, Ni, Mn) clusters based on Kläui's tripodal ligand and tricyanometalates: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2204","2212","10.1039/c0dt00954g","","","0.71073","MoKα","","0.0687","0.0557","","","0.1651","0.1737","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014556","11.66","0.003","14.156","0.004","16.84","0.005","70.254","0.004","86.355","0.004","74.224","0.004","2516.4","1.2","291","2","291","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H112 B2 Co2 Cu2 Fe2 N22 O23 P6 -","- C68 H112 B2 Co2 Cu2 Fe2 N22 O23 P6 -","- C68 H112 B2 Co2 Cu2 Fe2 N22 O23 P6 -","1","0.5","","Kang, Ling-Chen; Yao, Min-Xia; Chen, Xin; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hexanuclear Fe(III)(2)Co(III)(2)M(II)(2) (M = Cu, Ni, Mn) clusters based on Kläui's tripodal ligand and tricyanometalates: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2204","2212","10.1039/c0dt00954g","","","0.71073","MoKα","","0.1275","0.0733","","","0.1955","0.2246","","","","","","0.964","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014557","10.45","0.004","14.919","0.005","17.507","0.009","107.85","0.006","94.917","0.007","109.476","0.004","2395.1","1.7","291","2","291","2","","","","","","","","9","P -1","-P 1","2","","","","- C66 H106 B2 Co2 Fe2 N22 Ni2 O20 P6 -","- C66 H106 B2 Co2 Fe2 N22 Ni2 O20 P6 -","- C66 H106 B2 Co2 Fe2 N22 Ni2 O20 P6 -","1","0.5","","Kang, Ling-Chen; Yao, Min-Xia; Chen, Xin; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hexanuclear Fe(III)(2)Co(III)(2)M(II)(2) (M = Cu, Ni, Mn) clusters based on Kläui's tripodal ligand and tricyanometalates: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2204","2212","10.1039/c0dt00954g","","","0.71073","MoKα","","0.089","0.0554","","","0.1537","0.1651","","","","","","0.988","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014558","17.463","0.01","11.906","0.007","23.852","0.014","90","","107.849","0.013","90","","4720","5","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C66 H102 B2 Co2 Fe2 Mn2 N22 O18 P6 -","- C66 H102 B2 Co2 Fe2 Mn2 N22 O18 P6 -","- C132 H204 B4 Co4 Fe4 Mn4 N44 O36 P12 -","2","0.5","","Kang, Ling-Chen; Yao, Min-Xia; Chen, Xin; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hexanuclear Fe(III)(2)Co(III)(2)M(II)(2) (M = Cu, Ni, Mn) clusters based on Kläui's tripodal ligand and tricyanometalates: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2204","2212","10.1039/c0dt00954g","","","0.71073","MoKα","","0.18","0.0749","","","0.1462","0.1702","","","","","","0.821","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014559","19.7982","0.0019","20.434","0.002","26.698","0.003","90","","90","","90","","10800.8","1.9","291","2","291","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C70 H118 B2 Co2 Cu2 Fe2 N18 O20 P6 -","- C70 H118 B2 Co2 Cu2 Fe2 N18 O20 P6 -","- C280 H472 B8 Co8 Cu8 Fe8 N72 O80 P24 -","4","0.5","","Kang, Ling-Chen; Yao, Min-Xia; Chen, Xin; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hexanuclear Fe(III)(2)Co(III)(2)M(II)(2) (M = Cu, Ni, Mn) clusters based on Kläui's tripodal ligand and tricyanometalates: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2204","2212","10.1039/c0dt00954g","","","0.71073","MoKα","","0.0796","0.0514","","","0.1271","0.1418","","","","","","1.063","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014560","12.666","0.003","17.274","0.004","17.523","0.004","90","","107.667","0.004","90","","3653.1","1.5","93.1","","93.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H20 F16 O10 Ru2 -","- C36 H20 F16 O10 Ru2 -","- C144 H80 F64 O40 Ru8 -","4","1","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.71075","MoKα","","","0.0523","","","","0.1438","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014561","9.1898","0.0005","17.7022","0.0009","11.4563","0.0009","90","","105.975","0.004","90","","1791.7","0.2","103.1","","103.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 F12 O10 Ru2 -","- C36 H24 F12 O10 Ru2 -","- C72 H48 F24 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.71075","MoKα","","","0.0218","","","","0.049","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014562","8.814","0.0017","16.926","0.003","13.077","0.003","90","","109.572","0.002","90","","1838.2","0.6","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F16 O10 Ru2 -","- C36 H20 F16 O10 Ru2 -","- C72 H40 F32 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.062","","","","0.1644","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014563","9.6162","0.0017","11.352","0.002","16.766","0.003","90","","100.046","0.002","90","","1802.2","0.6","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 F12 O10 Ru2 -","- C36 H24 F12 O10 Ru2 -","- C72 H48 F24 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0273","","","","0.0721","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014564","9.172","0.004","28.238","0.012","11.634","0.006","90","","104.482","0.009","90","","2917","2","93.1","","93.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C62 H52 F12 N4 O8 Ru2 -","- C62 H52 F12 N4 O8 Ru2 -","- C124 H104 F24 N8 O16 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0615","","","","0.1184","","","","","","0.956","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014565","9.2572","0.0016","19.413","0.003","10.1835","0.0017","90","","103.33","0.002","90","","1780.8","0.5","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 F12 O10 Ru2 -","- C36 H24 F12 O10 Ru2 -","- C72 H48 F24 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0471","","","","0.113","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014566","8.7241","0.0005","12.0006","0.0008","17.9403","0.0008","90","","101.429","0.002","90","","1841.01","0.18","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 F12 O10 Ru2 -","- C36 H24 F12 O10 Ru2 -","- C72 H48 F24 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0267","","","","0.0655","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014567","12.4495","0.0005","15.2218","0.0007","18.5927","0.0008","90","","90","","90","","3523.4","0.3","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 F8 O10 Ru2 -","- C36 H28 F8 O10 Ru2 -","- C144 H112 F32 O40 Ru8 -","4","1","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0197","","","","0.0441","","","","","","1.066","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014568","12.153","0.005","20.238","0.008","13.955","0.006","90","","109.579","0.005","90","","3234","2","93.1","","93.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C70 H68 F12 N4 O10 Ru2 -","- C70 H68 F12 N4 O10 Ru2 -","- C140 H136 F24 N8 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0434","","","","0.1117","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014569","8.882","0.003","17.855","0.004","12.627","0.003","90","","109.561","0.003","90","","1886.9","0.9","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 F12 O10 Ru2 -","- C36 H8 F12 O10 Ru2 -","- C72 H16 F24 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0389","","","","0.1036","","","","","","1.004","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014570","9.09","0.002","18.451","0.004","11.068","0.003","90","","108.293","0.003","90","","1762.5","0.7","93.1","","93.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 F8 O10 Ru2 -","- C36 H24 F8 O10 Ru2 -","- C72 H48 F16 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0698","","","","0.1853","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014571","10.634","0.003","10.835","0.003","15.883","0.005","90","","95.196","0.004","90","","1822.5","0.9","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 F8 O10 Ru2 -","- C36 H20 F8 O10 Ru2 -","- C72 H40 F16 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0531","","","","0.1212","","","","","","1.019","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014572","10.838","0.004","11.755","0.004","15.517","0.005","77.607","0.009","81.127","0.011","86.496","0.01","1906.9","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H16 F20 O10 Ru2 -","- C36.006 H8 F20 O10 Ru2 -","- C72.012 H16 F40 O20 Ru4 -","2","1","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0282","","","","0.0605","","","","","","1.109","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014573","8.655","0.005","19.076","0.009","10.793","0.006","90","","101.521","0.006","90","","1746.1","1.6","93.1","","93.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 F4 O10 Ru2 -","- C36 H30 F4 O10 Ru2 -","- C72 H60 F8 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0449","","","","0.1076","","","","","","0.888","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014574","19.188","0.007","9.225","0.003","20.991","0.008","90","","111.679","0.005","90","","3453","2","93.1","","93.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 F4 O10 Ru2 -","- C36 H28 F4 O10 Ru2 -","- C144 H112 F16 O40 Ru8 -","4","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0393","","","","0.1178","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014575","9.0627","0.0019","17.772","0.003","11.225","0.002","90","","109.466","0.002","90","","1704.6","0.6","103.1","","103.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F4 O10 Ru2 -","- C36 H32 F4 O10 Ru2 -","- C72 H64 F8 O20 Ru4 -","2","0.5","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.71075","MoKα","","","0.0313","","","","0.0821","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014576","9.4024","0.0001","15.6941","0.0002","18.7797","0.0002","90","","90","","90","","2771.17","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl2 Ir P S2 -","- C30 H32 Cl2 Ir P S2 -","- C120 H128 Cl8 Ir4 P4 S8 -","4","1","","Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Wang, Kang-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Hung, Wen-Yi; Chiu, Hao-Chih","Heteroleptic Ir(III) complexes containing both azolate chromophoric chelate and diphenylphosphinoaryl cyclometalates; reactivities, electronic properties and applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1132","1143","10.1039/c0dt00966k","","","0.71073","MoKα","","0.034","0.0266","","","0.0461","0.0476","","","","","","1.002","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014577","21.5529","0.0004","14.1688","0.0003","29.0378","0.0005","90","","102.315","0.0012","90","","8663.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C89 H72 Cl14 Ir2 N4 P4 -","- C89 H70 Cl14 Ir2 N4 P4 -","- C356 H280 Cl56 Ir8 N16 P16 -","4","1","","Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Wang, Kang-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Hung, Wen-Yi; Chiu, Hao-Chih","Heteroleptic Ir(III) complexes containing both azolate chromophoric chelate and diphenylphosphinoaryl cyclometalates; reactivities, electronic properties and applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1132","1143","10.1039/c0dt00966k","","","0.71073","MoKα","","0.0851","0.0487","","","0.1208","0.1337","","","","","","1.014","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014578","23.3005","0.0005","12.3608","0.0003","33.9148","0.0007","90","","90","","90","","9767.9","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C62 H54 Ir N4 P2 -","- C62 H54 Ir N4 P2 -","- C496 H432 Ir8 N32 P16 -","8","2","","Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Wang, Kang-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Hung, Wen-Yi; Chiu, Hao-Chih","Heteroleptic Ir(III) complexes containing both azolate chromophoric chelate and diphenylphosphinoaryl cyclometalates; reactivities, electronic properties and applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1132","1143","10.1039/c0dt00966k","","","0.71073","MoKα","","0.0755","0.0522","","","0.126","0.1393","","","","","","1.007","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014579","10.6136","0.0005","13.818","0.0006","17.5871","0.0008","83.412","0.001","74.04","0.001","82.624","0.001","2450.81","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H49 Cl2 Ir N4 P2 -","- C60 H49 Cl2 Ir N4 P2 -","- C120 H98 Cl4 Ir2 N8 P4 -","2","1","","Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Wang, Kang-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Hung, Wen-Yi; Chiu, Hao-Chih","Heteroleptic Ir(III) complexes containing both azolate chromophoric chelate and diphenylphosphinoaryl cyclometalates; reactivities, electronic properties and applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1132","1143","10.1039/c0dt00966k","","","0.71073","MoKα","","0.0502","0.0414","","","0.084","0.0923","","","","","","1.068","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014580","11.8887","0.0006","18.6773","0.001","18.6889","0.0011","90","","91.08","0.001","90","","4149.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H35 F3 Ir N5 P2 -","- C51 H35 F3 Ir N5 P2 -","- C204 H140 F12 Ir4 N20 P8 -","4","1","","Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Wang, Kang-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Hung, Wen-Yi; Chiu, Hao-Chih","Heteroleptic Ir(III) complexes containing both azolate chromophoric chelate and diphenylphosphinoaryl cyclometalates; reactivities, electronic properties and applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1132","1143","10.1039/c0dt00966k","","","0.71073","MoKα","","0.0331","0.0279","","","0.0612","0.0634","","","","","","1.041","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014581","13.904","0.0017","15.1495","0.0018","14.0456","0.0018","90","","99.503","0.002","90","","2917.9","0.6","198","1","198","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 As2 F12 N2 O6 S5 -","- C20 H8 As2 F12 N2 O6 S5 -","- C80 H32 As8 F48 N8 O24 S20 -","4","1","","Decken, A.; Mailman, A.; Passmore, J.; Rautiainen, J. M.; Scherer, W.; Scheidt, E.-W.","A prototype hybrid 7π quinone-fused 1,3,2-dithiazolyl radical.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","868","879","10.1039/c0dt00967a","","x-ray","0.71073","MoKα","","0.0425","0.0313","","","0.0812","0.0848","","","","","","1.068","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014582","7.2626","0.001","8.2193","0.0011","9.4223","0.0012","82.359","0.002","79.248","0.003","70.376","0.002","518.98","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 O2 S4 -","- C10 H4 O2 S4 -","- C20 H8 O4 S8 -","2","1","","Decken, A.; Mailman, A.; Passmore, J.; Rautiainen, J. M.; Scherer, W.; Scheidt, E.-W.","A prototype hybrid 7π quinone-fused 1,3,2-dithiazolyl radical.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","868","879","10.1039/c0dt00967a","","x-ray","0.71073","MoKα","","0.0581","0.0428","","","0.1192","0.1276","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014583","8.359","0.002","16.77","0.004","7.1478","0.0018","90","","115.251","0.003","90","","906.2","0.4","198","1","198","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 N O2 S2 -","- C10 H4 N O2 S2 -","- C40 H16 N4 O8 S8 -","4","1","","Decken, A.; Mailman, A.; Passmore, J.; Rautiainen, J. M.; Scherer, W.; Scheidt, E.-W.","A prototype hybrid 7π quinone-fused 1,3,2-dithiazolyl radical.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","868","879","10.1039/c0dt00967a","","x-ray","0.71073","MoKα","","0.0608","0.0375","","","0.0862","0.1015","","","","","","1.157","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014584","8.397","0.002","16.782","0.004","7.2137","0.0019","90","","115.023","0.003","90","","921.1","0.4","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 N O2 S2 -","- C10 H4 N O2 S2 -","- C40 H16 N4 O8 S8 -","4","1","","Decken, A.; Mailman, A.; Passmore, J.; Rautiainen, J. M.; Scherer, W.; Scheidt, E.-W.","A prototype hybrid 7π quinone-fused 1,3,2-dithiazolyl radical.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","868","879","10.1039/c0dt00967a","","x-ray","0.71073","MoKα","","0.0839","0.0418","","","0.0906","0.1191","","","","","","1.137","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014585","9.883","0.0005","9.6562","0.0005","12.5052","0.0007","90","","112.968","0.003","90","","1098.79","0.1","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","(bis(mu-chlorido)-bis(chlorido)-bis(2-(pyrimidin-2-ylamino) - 1,3-thiazole-4-carbaldehyde-k2N:N')dicopper(ii))","[bis(mu-chlorido)-bis(chlorido)-bis(2-(pyrimidin-2-ylamino) -1,3-thiazole-4-carbaldehyde-k2N:N')dicopper(II)]","","- C16 H12 Cl4 Cu2 N8 O2 S2 -","- C16 H12 Cl4 Cu2 N8 O2 S2 -","- C32 H24 Cl8 Cu4 N16 O4 S4 -","2","0.5","","Delgado, Salomé; Gallego, Almudena; Castillo, Oscar; Zamora, Félix","Unexpected multiple bond cleavage and rearrangement of organosulfide ligands in the presence of Cu(II) assisted by solvothermal and solvothermal-microwave conditions.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","847","852","10.1039/c0dt00973c","","","0.71073","MoKα","","0.0349","0.0248","","","0.06","0.0651","","","","","","1.071","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014586","11.967","0.0006","6.8657","0.0004","16.9169","0.0008","90","","110.541","0.003","90","","1301.55","0.12","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","poly-[mu-chlorido-(mu-bis(2-pyrimidyl-disulfide-k2N:N')copper(I)]-methanol (1/1)","","- C16 H12 Cl4 Cu2 N8 S5.8 -","- C16 H12 Cl4 Cu2 N8 S5.796 -","- C32 H24 Cl8 Cu4 N16 S11.592 -","2","0.5","","Delgado, Salomé; Gallego, Almudena; Castillo, Oscar; Zamora, Félix","Unexpected multiple bond cleavage and rearrangement of organosulfide ligands in the presence of Cu(II) assisted by solvothermal and solvothermal-microwave conditions.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","847","852","10.1039/c0dt00973c","","","0.71069","MoKα","","0.0576","0.0475","","","0.1147","0.1189","","","","","","1.176","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014587","5.4675","0.0004","21.7393","0.0016","8.3532","0.0005","90","","120.377","0.004","90","","856.56","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","1","","Delgado, Salomé; Gallego, Almudena; Castillo, Oscar; Zamora, Félix","Unexpected multiple bond cleavage and rearrangement of organosulfide ligands in the presence of Cu(II) assisted by solvothermal and solvothermal-microwave conditions.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","847","852","10.1039/c0dt00973c","","","1.54178","CuKα","","0.0323","0.0313","","","0.084","0.0852","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014588","10.404","0.002","10.427","0.002","18.634","0.004","89.54","0.03","76.65","0.03","60.28","0.03","1694.5","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- Bi6 Cl28 Ga10 S18 -","- Bi6 Cl28 Ga10 S18 -","- Bi6 Cl28 Ga10 S18 -","1","0.5","","Freudenmann, Dominic; Feldmann, Claus","[Bi3GaS5]2[Ga3Cl10]2[GaCl4]2·S8 containing heterocubane-type [Bi3GaS5]2+, star-shaped [Ga3Cl10]-, monomeric [GaCl4]- and crown-like S8.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","452","456","10.1039/c0dt00985g","","","0.71073","MoKα","","0.0695","0.0487","","","0.1136","0.1222","","","","","","0.951","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014589","8.9076","0.0003","8.9076","0.0003","21.4007","0.001","90","","90","","120","","1470.55","0.1","150","2","150","2","","","","","","","","5","P 31","P 31","144","","","","- C19 H20 Cl2 N4 Pd -","- C19 H20 Cl2 N4 Pd -","- C57 H60 Cl6 N12 Pd3 -","3","1","","Chang, Yung-Hung; Liu, Zu-Yin; Liu, Yi-Hung; Peng, Shei-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung","Palladium(II) complexes based on 1,8-naphthyridine functionalized N-heterocyclic carbenes (NHC) and their catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","489","494","10.1039/c0dt00990c","","","0.71073","MoKα","","0.0379","0.0324","","","0.0807","0.0825","","","","","","1.037","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014590","30.3869","0.0006","19.394","0.0004","28.0844","0.0007","90","","111.31","0.003","90","","15419.2","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","nsy","","","- C71 H77 Cl2 I4 N12 O1.5 Pd2 -","- C71 H77 Cl2 I4 N12 O1.5 Pd2 -","- C568 H616 Cl16 I32 N96 O12 Pd16 -","8","1","","Chang, Yung-Hung; Liu, Zu-Yin; Liu, Yi-Hung; Peng, Shei-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung","Palladium(II) complexes based on 1,8-naphthyridine functionalized N-heterocyclic carbenes (NHC) and their catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","489","494","10.1039/c0dt00990c","","","0.71073","MoKα","","0.0964","0.0546","","","0.1665","0.1852","","","","","","1.131","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014591","21.0703","0.0015","11.378","0.0008","15.0859","0.0011","90","","90","","90","","3616.7","0.4","173","2","173","2","","","","","","","","8","P n n 2","P 2 -2n","34","","","","- C38.5 H32 Cl F6 N2 O3 P2 Re -","- C38.5 H32 Cl F6 N2 O3 P2 Re -","- C154 H128 Cl4 F24 N8 O12 P8 Re4 -","4","1","","Lane, Stephanie Renee; Sisay, Nebiat; Carney, Brett; Dannoon, Shorouk; Williams, Stephen; Engelbrecht, Hendrik Petrus; Barnes, Charles Leslie; Jurisson, Silvia Sabine","Re(V) and Re(III) complexes with sal2phen and triphenylphosphine: rearrangement, oxidation and reduction.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","269","276","10.1039/c0dt00993h","","","0.71073","MoKα","","0.0602","0.0374","","","0.0608","0.0662","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014592","11.141","0.0008","11.5874","0.0008","17.7337","0.0012","91.854","0.001","108.169","0.001","115.297","0.001","1929.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H26.5 Cl9.5 N2 O P Re -","- C33.5 H26 Cl9.5 N2 O P Re -","- C67 H52 Cl19 N4 O2 P2 Re2 -","2","1","","Lane, Stephanie Renee; Sisay, Nebiat; Carney, Brett; Dannoon, Shorouk; Williams, Stephen; Engelbrecht, Hendrik Petrus; Barnes, Charles Leslie; Jurisson, Silvia Sabine","Re(V) and Re(III) complexes with sal2phen and triphenylphosphine: rearrangement, oxidation and reduction.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","269","276","10.1039/c0dt00993h","","","0.71073","MoKα","","0.063","0.0515","","","0.1139","0.1204","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014593","19.4392","0.0014","10.9257","0.0008","21.4868","0.0015","90","","90","","90","","4563.5","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Cl4 N2 O3 Re -","- C21 H15 Cl4 N2 O3 Re -","- C168 H120 Cl32 N16 O24 Re8 -","8","1","","Lane, Stephanie Renee; Sisay, Nebiat; Carney, Brett; Dannoon, Shorouk; Williams, Stephen; Engelbrecht, Hendrik Petrus; Barnes, Charles Leslie; Jurisson, Silvia Sabine","Re(V) and Re(III) complexes with sal2phen and triphenylphosphine: rearrangement, oxidation and reduction.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","269","276","10.1039/c0dt00993h","","","0.71073","MoKα","","0.0456","0.035","","","0.0886","0.0949","","","","","","1.046","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014594","23.0805","0.0007","13.1946","0.0004","25.9868","0.0008","90","","104.447","0.001","90","","7663.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 Cl5 N2 O2 P Re -","- C40 H33 Cl5 N2 O2 P Re -","- C320 H264 Cl40 N16 O16 P8 Re8 -","8","2","","Lane, Stephanie Renee; Sisay, Nebiat; Carney, Brett; Dannoon, Shorouk; Williams, Stephen; Engelbrecht, Hendrik Petrus; Barnes, Charles Leslie; Jurisson, Silvia Sabine","Re(V) and Re(III) complexes with sal2phen and triphenylphosphine: rearrangement, oxidation and reduction.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","269","276","10.1039/c0dt00993h","","","0.71073","MoKα","","0.0625","0.0398","","","0.0665","0.0714","","","","","","1.033","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014595","15.7408","0.0013","17.9422","0.001","15.7257","0.0009","90","","119.746","0.001","90","","3856.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 Cl N2 O4 Rh -","- C38 H53 Cl N2 O4 Rh -","- C152 H212 Cl4 N8 O16 Rh4 -","4","1","","Liu, Xiang Y.; Lokare, Kapil S.; Ganesh, Somesh K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, 3rd, William A; Periana, Roy A.","Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","301","304","10.1039/c0dt00997k","","","0.71073","MoKα","","0.0684","0.0467","","","0.1132","0.1237","","","","","","1.03","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014596","11.74","0.003","19.505","0.004","24.825","0.005","90","","90","","90","","5685","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H40 Cl N2 O4 Rh -","- C27 H40 Cl N2 O4 Rh -","- C216 H320 Cl8 N16 O32 Rh8 -","8","1","","Liu, Xiang Y.; Lokare, Kapil S.; Ganesh, Somesh K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, 3rd, William A; Periana, Roy A.","Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","301","304","10.1039/c0dt00997k","","","0.71073","MoKα","","0.0786","0.0511","","","0.1307","0.1504","","","","","","1.026","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014597","9.2566","0.0018","9.2615","0.0018","13.978","0.003","76.053","0.003","77.247","0.003","81.376","0.003","1128.4","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cl N2 O4 Rh -","- C24 H27 Cl N2 O4 Rh -","- C48 H54 Cl2 N4 O8 Rh2 -","2","1","","Liu, Xiang Y.; Lokare, Kapil S.; Ganesh, Somesh K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, 3rd, William A; Periana, Roy A.","Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","301","304","10.1039/c0dt00997k","","","0.71073","MoKα","","0.097","0.0684","","","0.188","0.2514","","","","","","1.045","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014598","10.3395","0.0014","14.753","0.002","23.961","0.003","90","","90","","90","","3655","0.8","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 N2 O5 Rh -","- C31 H34 N2 O5 Rh -","- C124 H136 N8 O20 Rh4 -","4","1","","Liu, Xiang Y.; Lokare, Kapil S.; Ganesh, Somesh K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, 3rd, William A; Periana, Roy A.","Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","301","304","10.1039/c0dt00997k","","","0.71073","MoKα","","0.1005","0.069","","","0.2131","0.2348","","","","","","1.066","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014599","12.3274","0.0005","30.5413","0.0019","24.7472","0.0015","90","","98.232","0.001","90","","9221.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H92 N14 O23 Zn4 -","- C78 H90 N14 O23 Zn4 -","- C312 H360 N56 O92 Zn16 -","4","1","","Sapchenko, Sergey A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Melgunov, Maxim S.; Fedin, Vladimir P.","Microporous sensor: gas sorption, guest exchange and guest-dependant luminescence of metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2196","2203","10.1039/c0dt00999g","","x-ray","0.71073","MoKα","","0.1451","0.1079","","","0.2833","0.2973","","","","","","1.104","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014600","24.8414","0.0006","31.1031","0.0008","12.34","0.0003","90","","97.318","0.001","90","","9456.8","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C63 H55 N9 O17 Zn4 -","- C63 H55 N9 O17 Zn4 -","- C252 H220 N36 O68 Zn16 -","4","1","","Sapchenko, Sergey A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Melgunov, Maxim S.; Fedin, Vladimir P.","Microporous sensor: gas sorption, guest exchange and guest-dependant luminescence of metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2196","2203","10.1039/c0dt00999g","","x-ray","0.71073","MoKα","","0.0423","0.0374","","","0.1271","0.1311","","","","","","1.097","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014601","12.2527","0.0002","31.2515","0.0005","24.7184","0.0004","90","","97.023","0.001","90","","9394","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H91 N9 O17 Zn4 -","- C99 H91 N9 O17 Zn4 -","- C396 H364 N36 O68 Zn16 -","4","1","","Sapchenko, Sergey A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Melgunov, Maxim S.; Fedin, Vladimir P.","Microporous sensor: gas sorption, guest exchange and guest-dependant luminescence of metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2196","2203","10.1039/c0dt00999g","","x-ray","0.71073","MoKα","","0.0492","0.0367","","","0.0879","0.0916","","","","","","1.037","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014602","24.6659","0.0007","31.3085","0.0012","12.2751","0.0005","90","","96.306","0.001","90","","9422.1","0.6","130","2","130","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C103 H95 Fe4 N9 O17 Zn4 -","- C103 H95 Fe4 N9 O17 Zn4 -","- C412 H380 Fe16 N36 O68 Zn16 -","4","1","","Sapchenko, Sergey A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Melgunov, Maxim S.; Fedin, Vladimir P.","Microporous sensor: gas sorption, guest exchange and guest-dependant luminescence of metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2196","2203","10.1039/c0dt00999g","","x-ray","0.71073","MoKα","","0.0482","0.0349","","","0.0672","0.0706","","","","","","1.023","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014603","26.881","0.0017","14.7534","0.0008","10.1208","0.0008","90","","97.115","0.0011","90","","3982.9","0.5","296.1","","296.1","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C28 H40 B3 Cl F4 N14 O3 Ru2 -","- C28 H40 B3 Cl F4 N14 O3 Ru2 -","- C112 H160 B12 Cl4 F16 N56 O12 Ru8 -","4","0.5","","Arikawa, Yasuhiro; Matsumoto, Naoki; Asayama, Taiki; Umakoshi, Keisuke; Onishi, Masayoshi","Conversion of oxido-bridged dinuclear ruthenium complex to dicationic dinitrosyl ruthenium complex using proton and nitric oxide: Completion of NO reduction cycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2148","2150","10.1039/c0dt01002b","","","0.7107","MoKα","","","0.0438","","","","0.0846","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014604","10.146","0.004","15.988","0.007","16.899","0.007","90","","105.768","0.008","90","","2638.1","1.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 Cl Ni P2 -","- C32 H27 Cl Ni P2 -","- C128 H108 Cl4 Ni4 P8 -","4","1","","Duncan, Daniel; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","A recyclable perfluoroalkylated PCP pincer palladium complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1998","2005","10.1039/c0dt01004a","","","0.71073","MoKα","","0.0865","0.0591","","","0.121","0.1308","","","","","","1.048","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014605","11.97","0.005","13.569","0.005","21.61","0.005","74.456","0.005","87.681","0.005","84.415","0.005","3365","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H79 Cl4 N5 O3 -","- C80 H79 Cl4 N5 O3 -","- C160 H158 Cl8 N10 O6 -","2","1","","Sadhu, Kalyan K.; Sen, Susan; Bharadwaj, Parimal K.","Cryptand derived fluorescence signaling systems for sensing Hg(II) ion: A comparative study.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","726","734","10.1039/c0dt01005g","","","0.71069","MoKα","","0.1004","0.0735","","","0.192","0.2354","","","","","","0.849","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014606","5.8048","0.0004","19.8293","0.0012","7.0601","0.0004","90","","95.334","0.001","90","","809.13","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 F O2 W -","- C8 H5 F0.99 O2.01 W -","- C32 H20 F3.96 O8.04 W4 -","4","1","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","47","55","10.1039/c0dt01006e","","","0.71073","MoKα","","0.0257","0.0206","","","0.0371","0.0387","","","","","","1.059","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014607","6.9376","0.001","12.5405","0.0018","7.7025","0.0011","90","","101.873","0.002","90","","655.79","0.16","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 F O2 W -","- C13 H15 F O2 W -","- C26 H30 F2 O4 W2 -","2","0.5","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","47","55","10.1039/c0dt01006e","","","0.71073","MoKα","","0.0206","0.0193","","","0.0458","0.0466","","","","","","1.022","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014608","19.664","0.005","8.982","0.002","19.389","0.005","90","","90","","90","","3424.5","1.5","208","2","208","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H5 Co2 F Mo O8 -","- C14 H5 Co2 F Mo O8 -","- C112 H40 Co16 F8 Mo8 O64 -","8","2","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","47","55","10.1039/c0dt01006e","","","0.71073","MoKα","","0.0339","0.0319","","","0.0731","0.0742","","","","","","1.02","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014609","8.6778","0.0005","11.1284","0.0007","21.9659","0.0013","90","","95.26","0.001","90","","2112.3","0.2","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Co2 Cr F O8 -","- C19 H15 Co2 Cr F O8 -","- C76 H60 Co8 Cr4 F4 O32 -","4","1","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","47","55","10.1039/c0dt01006e","","","0.71073","MoKα","","0.0256","0.0237","","","0.061","0.0621","","","","","","1.112","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014610","8.859","0.002","11.199","0.003","22.19","0.006","90","","93.37","0.005","90","","2197.7","1","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Co2 F O8 W -","- C19 H15 Co2 F O8 W -","- C76 H60 Co8 F4 O32 W4 -","4","1","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","47","55","10.1039/c0dt01006e","","","0.71073","MoKα","","0.034","0.0297","","","0.0668","0.0686","","","","","","1.049","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014611","13.616","0.002","9.1616","0.0015","16.705","0.003","90","","94.271","0.003","90","","2078.1","0.6","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 F Mo O P2 -","- C17 H33 F Mo O P2 -","- C68 H132 F4 Mo4 O4 P8 -","4","1","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","47","55","10.1039/c0dt01006e","","","0.71073","MoKα","","0.0469","0.039","","","0.1052","0.1103","","","","","","1.035","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014612","14.026","0.003","25.042","0.005","12.672","0.002","90","","102.63","0.003","90","","4343.2","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 B N7 Ni S2 -","- C50 H42 B N7 Ni S2 -","- C200 H168 B4 N28 Ni4 S8 -","4","1","","Harding, David J.; Harding, Phimphaka; Dokmaisrijan, Supaporn; Adams, Harry","Redox-active nickel and cobalt tris(pyrazolyl)borate dithiocarbamate complexes: air-stable Co(II) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1313","1321","10.1039/c0dt01010c","","","0.71073","MoKα","","0.0799","0.0483","","","0.1135","0.1278","","","","","","1.014","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014613","13.96","0.005","25.122","0.01","12.649","0.005","90","","102.047","0.005","90","","4338","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 B Co N7 S2 -","- C50 H42 B Co N7 S2 -","- C200 H168 B4 Co4 N28 S8 -","4","1","","Harding, David J.; Harding, Phimphaka; Dokmaisrijan, Supaporn; Adams, Harry","Redox-active nickel and cobalt tris(pyrazolyl)borate dithiocarbamate complexes: air-stable Co(II) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1313","1321","10.1039/c0dt01010c","","","0.71073","MoKα","","0.0563","0.0364","","","0.0888","0.0975","","","","","","1.028","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014614","14.076","0.002","25.405","0.004","12.598","0.0019","90","","103.749","0.009","90","","4376","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 B Co N7 S2 -","- C50 H44 B Co N7 S2 -","- C200 H176 B4 Co4 N28 S8 -","4","1","","Harding, David J.; Harding, Phimphaka; Dokmaisrijan, Supaporn; Adams, Harry","Redox-active nickel and cobalt tris(pyrazolyl)borate dithiocarbamate complexes: air-stable Co(II) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1313","1321","10.1039/c0dt01010c","","","0.71073","MoKα","","0.0971","0.0525","","","0.1012","0.1168","","","","","","1.033","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014615","40.116","0.004","15.0126","0.0013","11.1975","0.0009","90","","90","","90","","6743.6","1","120","2","120","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C48 H60 Cl6 Co3 N12 -","- C48 H60 Cl6 Co3 N12 -","- C192 H240 Cl24 Co12 N48 -","4","0.5","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.0735","0.0551","","","0.1228","0.1308","","","","","","0.942","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014616","40.1816","0.0008","15.0535","0.0003","11.1487","0.0002","90","","90","","90","","6743.6","0.2","120","2","120","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C48 H60 Cl6 Co3 N12 -","- C48 H60 Cl6 Co3 N12 -","- C192 H240 Cl24 Co12 N48 -","4","0.5","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.0445","0.0352","","","0.0871","0.0923","","","","","","0.817","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014617","9.913","0.002","12.452","0.003","19.873","0.008","90","","90","","90","","2453.1","1.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N6 O2 -","- C24 H30 N6 O2 -","- C96 H120 N24 O8 -","4","1","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.1623","0.1007","","","0.2345","0.2662","","","","","","1.1","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014618","9.2994","0.0015","22.066","0.004","13.8764","0.0015","90","","90.412","0.006","90","","2847.4","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Cl2 Co N12 O6 -","- C48 H72 Cl2 Co N12 O6 -","- C96 H144 Cl4 Co2 N24 O12 -","2","0.5","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.296","0.0556","","","0.0664","0.1039","","","","","","0.609","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014619","11.8951","0.0006","11.8951","0.0006","39.232","0.004","90","","90","","120","","4807.4","0.6","120","2","120","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C48 H104 Cl2 Co N12 O22 -","- C48 H60 Co N12 O24 -","- C144 H180 Co3 N36 O72 -","3","0.0833333","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.1264","0.0836","","","0.2103","0.2307","","","","","","1.045","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014620","10.48","0.0003","10.48","0.0003","17.8377","0.0012","90","","90","","120","","1696.65","0.13","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C48 H62 Cl2 Co N12 O -","- C48 H36 Cl2 Co N12 O -","- C48 H36 Cl2 Co N12 O -","1","0.0833333","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.2316","0.1289","","","0.3595","0.3939","","","","","","1.201","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014621","11.8538","0.0005","11.8538","0.0005","38.991","0.004","90","","90","","120","","4744.7","0.6","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","Ni complex","","","- C48 H104 Cl2 N12 Ni O22 -","- C48 H48 N12 Ni O24 -","- C144 H144 N36 Ni3 O72 -","3","0.0833333","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.0894","0.0664","","","0.1743","0.1831","","","","","","1.007","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014622","12.675","0.004","20.932","0.007","9.027","0.003","90","","92.544","0.014","90","","2392.6","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","08srv077","","","- C24 H30 Cl2 Mn N6 -","- C24 H30 Cl2 Mn N6 -","- C96 H120 Cl8 Mn4 N24 -","4","1","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.1894","0.1509","","","0.35","0.3696","","","","","","1.098","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014623","9.1574","0.0012","21.172","0.003","12.8437","0.0015","90","","90","","90","","2490.1","0.6","120","2","120","2","","","","","","","","5","P n a m","-P 2c 2n","62","Cd Complex","","","- C24 H30 Cd Cl2 N6 -","- C24 H30 Cd Cl2 N6 -","- C96 H120 Cd4 Cl8 N24 -","4","0.5","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.1525","0.0581","","","0.0867","0.1063","","","","","","0.764","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014624","11.9461","0.0004","8.0806","0.0003","15.4475","0.0006","90","","92.35","0.001","90","","1489.92","0.09","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Au Cl F2 P -","- C14 H11 Au Cl F2 P -","- C56 H44 Au4 Cl4 F8 P4 -","4","1","","Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E.","Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1743","1750","10.1039/c0dt01014f","","x-ray","0.71073","MoKα","","0.0614","0.036","","","0.0744","0.0832","","","","","","1.003","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014625","10.298","0.0004","9.319","0.0003","16.056","0.0006","90","","100.631","0.002","90","","1514.4","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Au Cl2 F2 P -","- C14 H10 Au Cl2 F2 P -","- C56 H40 Au4 Cl8 F8 P4 -","4","1","","Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E.","Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1743","1750","10.1039/c0dt01014f","","","0.71073","MoKα","","0.1124","0.072","","","0.1671","0.1954","","","","","","1.09","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014626","17.114","0.002","7.333","0.001","16.937","0.002","90","","93.01","0.02","90","","2122.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Au Cl F3 P -","- C6 H10 Au Cl F3 P -","- C48 H80 Au8 Cl8 F24 P8 -","8","1","","Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E.","Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1743","1750","10.1039/c0dt01014f","","","0.71073","MoKα","","0.0718","0.0455","","","0.109","0.123","","","","","","1.025","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014627","9.532","0.004","9.156","0.002","19.213","0.006","90","","102.47","0.03","90","","1637.3","0.9","203","2","203","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Au Cl F3 P -","- C14 H22 Au Cl F3 P -","- C56 H88 Au4 Cl4 F12 P4 -","4","1","","Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E.","Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1743","1750","10.1039/c0dt01014f","","x-ray","0.71073","MoKα","","0.0831","0.0521","","","0.1356","0.1536","","","","","","1.257","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014628","9.1057","0.0003","13.7198","0.0005","11.2174","0.0005","90","","90","","90","","1401.37","0.09","100","2","100","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C13 H10 Au Cl F3 P -","- C13 H10 Au Cl F3 P -","- C52 H40 Au4 Cl4 F12 P4 -","4","1","","Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E.","Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1743","1750","10.1039/c0dt01014f","","x-ray","0.71073","MoKα","","0.0869","0.0631","","","0.1339","0.1507","","","","","","1.15","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014629","16.037","0.002","11.741","0.0009","19.334","0.002","90","","109.717","0.004","90","","3427","0.6","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Au Cl F7 P -","- C15 H10 Au Cl F7 P -","- C120 H80 Au8 Cl8 F56 P8 -","8","1","","Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E.","Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1743","1750","10.1039/c0dt01014f","","x-ray","0.71073","MoKα","","0.1896","0.1061","","","0.2041","0.2484","","","","","","1.267","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014630","14.88","0.0004","15.797","0.0004","15.924","0.0004","90","","95.226","0.001","90","","3727.53","0.17","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Au Cl F9 P -","- C16 H10 Au Cl F9 P -","- C128 H80 Au8 Cl8 F72 P8 -","8","2","","Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E.","Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1743","1750","10.1039/c0dt01014f","","x-ray","0.71073","MoKα","","0.0839","0.058","","","0.1475","0.1688","","","","","","1.034","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014631","11.0805","0.0004","4.7871","0.0002","12.3153","0.0005","90","","103.964","0.002","90","","633.94","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","thiodiethanol-S-oxide","","- C4 H10 O3 S -","- C4 H10 O3 S -","- C16 H40 O12 S4 -","4","1","","Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E.","Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1743","1750","10.1039/c0dt01014f","","x-ray","0.71073","MoKα","","0.0441","0.03","","","0.0686","0.0745","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014632","11.782","0.002","7.1452","0.0013","24.309","0.004","90","","100.926","0.003","90","","2009.4","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Co3 O14 P2 -","- C14 H16 Co3 O14 P2 -","- C56 H64 Co12 O56 P8 -","4","1","","Wang, Peng-Fei; Cao, Deng-Ke; Bao, Song-Song; Jin, Hao-Jun; Li, Yi-Zhi; Wang, Tian-Wei; Zheng, Li-Min","Co₃(2-OOCC₆H₄PO₃)₂(H₂O)₃·H₂O: a layered metal phosphonate showing reversible dehydration-rehydration behavior and ferrimagnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1307","1312","10.1039/c0dt01019g","","","0.71073","MoKα","","0.0505","0.042","","","0.1204","0.1247","","","","","","1.057","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014633","11.764","0.002","7.2014","0.0013","24.274","0.004","90","","100.887","0.003","90","","2019.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O14 P2 Zn3 -","- C14 H16 O14 P2 Zn3 -","- C56 H64 O56 P8 Zn12 -","4","1","","Wang, Peng-Fei; Cao, Deng-Ke; Bao, Song-Song; Jin, Hao-Jun; Li, Yi-Zhi; Wang, Tian-Wei; Zheng, Li-Min","Co₃(2-OOCC₆H₄PO₃)₂(H₂O)₃·H₂O: a layered metal phosphonate showing reversible dehydration-rehydration behavior and ferrimagnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1307","1312","10.1039/c0dt01019g","","","0.71073","MoKα","","0.0691","0.0541","","","0.1217","0.1283","","","","","","1.024","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014634","47.957","0.011","13.286","0.003","19.889","0.005","90","","116.905","0.003","90","","11301","5","173.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H85 Cl3 N Nb O3 -","- C56 H72 Cl3 N Nb O3 -","- C448 H576 Cl24 N8 Nb8 O24 -","8","1","","Akagi, Fumio; Ishida, Yutaka; Matsuo, Tsukasa; Kawaguchi, Hiroyuki","Synthesis and reactivity of niobium complexes having a tripodal triaryloxide ligand in bidentate, tridentate, and tetradentate coordination modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2375","2382","10.1039/c0dt01022g","","","0.7107","MoKα","","","0.0812","","","","0.2241","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014635","12.485","0.005","20.674","0.008","20.252","0.008","90","","116.921","0.005","90","","4661","3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H65 Cl3 N Nb O3 -","- C45 H65 Cl3 N Nb O3 -","- C180 H260 Cl12 N4 Nb4 O12 -","4","1","","Akagi, Fumio; Ishida, Yutaka; Matsuo, Tsukasa; Kawaguchi, Hiroyuki","Synthesis and reactivity of niobium complexes having a tripodal triaryloxide ligand in bidentate, tridentate, and tetradentate coordination modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2375","2382","10.1039/c0dt01022g","","","0.7107","MoKα","","","0.0789","","","","0.1322","","","","","","1.116","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014636","13.987","0.006","20.447","0.008","21.538","0.009","94.951","0.006","99.947","0.005","97.388","0.007","5979","4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H87.5 Cl3 N Nb O3 -","- C59.5 H68 Cl3 N Nb O3 -","- C238 H272 Cl12 N4 Nb4 O12 -","4","2","","Akagi, Fumio; Ishida, Yutaka; Matsuo, Tsukasa; Kawaguchi, Hiroyuki","Synthesis and reactivity of niobium complexes having a tripodal triaryloxide ligand in bidentate, tridentate, and tetradentate coordination modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2375","2382","10.1039/c0dt01022g","","","0.7107","MoKα","","","0.0658","","","","0.152","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014637","22.812","0.007","14.173","0.004","20.084","0.006","90","","106.14","0.004","90","","6238","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H91 Nb O3 -","- C71 H80 Nb O3 -","- C284 H320 Nb4 O12 -","4","1","","Akagi, Fumio; Ishida, Yutaka; Matsuo, Tsukasa; Kawaguchi, Hiroyuki","Synthesis and reactivity of niobium complexes having a tripodal triaryloxide ligand in bidentate, tridentate, and tetradentate coordination modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2375","2382","10.1039/c0dt01022g","","","0.7107","MoKα","","","0.0604","","","","0.1521","","","","","","1.093","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014638","14.679","0.005","11.916","0.004","27.664","0.009","90","","110.455","0.005","90","","4534","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Nb O3 -","- C50 H49 Nb O3 -","- C200 H196 Nb4 O12 -","4","1","","Akagi, Fumio; Ishida, Yutaka; Matsuo, Tsukasa; Kawaguchi, Hiroyuki","Synthesis and reactivity of niobium complexes having a tripodal triaryloxide ligand in bidentate, tridentate, and tetradentate coordination modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2375","2382","10.1039/c0dt01022g","","","0.7107","MoKα","","","0.0684","","","","0.1779","","","","","","1.14","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014639","10.9897","0.001","11.2381","0.0009","12.9222","0.0015","102.7","0.008","105.272","0.009","91.721","0.007","1495.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H50 Cu2 Mo8 N18 O30 -","- C36 H50 Cu2 Mo8 N18 O30 -","- C36 H50 Cu2 Mo8 N18 O30 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Ma, Ji-Cheng","Inorganic-organic hybrid compounds based on octamolybdates and metal-organic fragments with flexible multidentate ligand: syntheses, structures and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","602","613","10.1039/c0dt01024c","","","0.71073","MoKα","","0.1056","0.0396","","","0.0677","0.0744","","","","","","0.71","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014640","10.9539","0.0004","11.4171","0.0004","12.3377","0.0005","85.654","0.003","72.963","0.003","69.624","0.003","1382.36","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Cu4 Mo8 N18 O28 -","- C36 H42 Cu4 Mo8 N18 O28 -","- C36 H42 Cu4 Mo8 N18 O28 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Ma, Ji-Cheng","Inorganic-organic hybrid compounds based on octamolybdates and metal-organic fragments with flexible multidentate ligand: syntheses, structures and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","602","613","10.1039/c0dt01024c","","","0.71073","MoKα","","0.0805","0.0416","","","0.1075","0.116","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014641","13.5986","0.0004","23.7671","0.0006","23.616","0.0006","90","","90.573","0.003","90","","7632.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H61 Cu4 Mo8 N27 O26 -","- C54 H59 Cu4 Mo8 N27 O26 -","- C216 H236 Cu16 Mo32 N108 O104 -","4","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Ma, Ji-Cheng","Inorganic-organic hybrid compounds based on octamolybdates and metal-organic fragments with flexible multidentate ligand: syntheses, structures and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","602","613","10.1039/c0dt01024c","","","1.54184","CuKα","","0.0904","0.0543","","","0.1321","0.1543","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014642","13.4938","0.0005","16.1953","0.0005","15.355","0.0007","90","","107.354","0.005","90","","3202.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Mo8 N18 Ni2 O34 -","- C36 H54 Mo8 N18 Ni2 O34 -","- C72 H108 Mo16 N36 Ni4 O68 -","2","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Ma, Ji-Cheng","Inorganic-organic hybrid compounds based on octamolybdates and metal-organic fragments with flexible multidentate ligand: syntheses, structures and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","602","613","10.1039/c0dt01024c","","","0.71073","MoKα","","0.0816","0.034","","","0.0418","0.0448","","","","","","0.729","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014643","11.5822","0.0004","13.0529","0.0004","19.6111","0.0006","90","","94.749","0.003","90","","2954.65","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Mo8 N18 O28 Zn2 -","- C36 H46 Mo8 N18 O28 Zn2 -","- C72 H92 Mo16 N36 O56 Zn4 -","2","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Ma, Ji-Cheng","Inorganic-organic hybrid compounds based on octamolybdates and metal-organic fragments with flexible multidentate ligand: syntheses, structures and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","602","613","10.1039/c0dt01024c","","","0.71073","MoKα","","0.0735","0.0338","","","0.0451","0.0476","","","","","","0.839","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014644","11.4063","0.0014","11.8303","0.0016","12.227","0.0014","115.199","0.012","93.897","0.01","101.029","0.011","1444.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Ag4 Mo8 N18 O26 -","- C36 H42 Ag4 Mo8 N18 O26 -","- C36 H42 Ag4 Mo8 N18 O26 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Ma, Ji-Cheng","Inorganic-organic hybrid compounds based on octamolybdates and metal-organic fragments with flexible multidentate ligand: syntheses, structures and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","602","613","10.1039/c0dt01024c","","","1.54184","CuKα","","0.0774","0.0519","","","0.1287","0.1441","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014645","11.162","0.005","10.267","0.004","16.098","0.007","90","","95.1531","0.0018","90","","1837.4","1.4","298.1","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Co O4 S2 -","- C16 H21 Co O4 S2 -","- C64 H84 Co4 O16 S8 -","4","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0589","","","","0.1346","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014646","17.3264","0.0005","8.534","0.0002","12.7851","0.0004","90","","90","","90","","1890.45","0.09","298.1","","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H23 O4 Rh S2 -","- C17 H23 O4 Rh S2 -","- C68 H92 O16 Rh4 S8 -","4","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0293","","","","0.0847","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014647","10.878","0.003","11.082","0.004","11.385","0.004","89.724","0.013","70.507","0.01","67.135","0.01","1179.8","0.7","298.1","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31 O4 Rh S2 Si -","- C20 H31 O4 Rh S2 Si -","- C40 H62 O8 Rh2 S4 Si2 -","2","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0542","","","","0.1285","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014648","17.709","0.0009","8.4437","0.0004","12.3013","0.0005","90","","90","","90","","1839.41","0.15","298.1","","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H21 O4 Rh S2 -","- C16 H21 O4 Rh S2 -","- C64 H84 O16 Rh4 S8 -","4","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0366","","","","0.0968","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014649","8.1448","0.0018","9.515","0.002","10.628","0.002","85.328","0.006","70.873","0.005","89.525","0.007","775.4","0.3","298.1","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Co2 N4 Se4 -","- C34 H26 Co2 N4 Se4 -","- C34 H26 Co2 N4 Se4 -","1","0.5","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.032","","","","0.0862","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014650","7.3955","0.0007","11.439","0.0011","18.0505","0.0016","90","","90","","90","","1527","0.2","298.1","","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Co N2 S2 -","- C17 H13 Co N2 S2 -","- C68 H52 Co4 N8 S8 -","4","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0626","","","","0.1425","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014651","8.2278","0.0011","16.183","0.002","9.3757","0.0015","90","","112.322","0.002","90","","1154.8","0.3","298.1","","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H11 Co O2 S2 -","- C10 H11 Co O2 S2 -","- C40 H44 Co4 O8 S8 -","4","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0348","","","","0.0966","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014652","8.7712","0.0004","8.1571","0.0004","16.3244","0.0009","90","","92.9843","0.0009","90","","1166.39","0.1","298.1","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Co2 O4 Se4 -","- C20 H22 Co2 O4 Se4 -","- C40 H44 Co4 O8 Se8 -","2","0.5","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0244","","","","0.0725","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014653","28.715","0.005","12.243","0.002","11.097","0.002","90","","90","","90","","3901.2","1.2","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H36 F9 O15 Rh S9 -","- C15 H36 F9 O15 Rh S9 -","- C60 H144 F36 O60 Rh4 S36 -","4","1","","Abbasi, Alireza; Skripkin, Mikhail Yu; Eriksson, Lars; Torapava, Natallia","Ambidentate coordination of dimethyl sulfoxide in rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1111","1118","10.1039/c0dt01026j","","","0.71073","MoKα","","0.1477","0.0483","","","0.0854","0.1014","","","","","","0.754","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014654","28.1746","0.0019","12.1626","0.0008","11.0466","0.0009","90","","90","","90","","3785.4","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H36 F9 O15 Rh S9 -","- C15 H36 F9 O15 Rh S9 -","- C60 H144 F36 O60 Rh4 S36 -","4","1","","Abbasi, Alireza; Skripkin, Mikhail Yu; Eriksson, Lars; Torapava, Natallia","Ambidentate coordination of dimethyl sulfoxide in rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1111","1118","10.1039/c0dt01026j","","","0.71073","MoKα","","0.0762","0.0519","","","0.1117","0.1165","","","","","","0.924","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014655","27.987","0.008","11.065","0.003","10.176","0.002","90","","90","","90","","3151.3","1.4","295","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H30 Cl F6 O11 Rh S7 -","- C12 H30 Cl F6 O11 Rh S7 -","- C48 H120 Cl4 F24 O44 Rh4 S28 -","4","1","","Abbasi, Alireza; Skripkin, Mikhail Yu; Eriksson, Lars; Torapava, Natallia","Ambidentate coordination of dimethyl sulfoxide in rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1111","1118","10.1039/c0dt01026j","","","0.71073","MoKα","","0.1007","0.0409","","","0.075","0.0882","","","","","","0.81","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014656","12.2513","0.0007","21.0117","0.0012","17.6635","0.001","90","","107.692","0.001","90","","4331.9","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 N2 P Sc Si2 -","- C43 H62 N2 P Sc Si2 -","- C172 H248 N8 P4 Sc4 Si8 -","4","1","","Li, Danfeng; Li, Shihui; Cui, Dongmei; Zhang, Xuequan; Trifonov, Alexander A.","Scandium alkyl complex with phosphinimino-amine ligand: Synthesis, structure and catalysis on ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2151","2153","10.1039/c0dt01030h","","","0.71073","MoKα","","0.0543","0.0438","","","0.1062","0.1133","","","","","","1.036","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014657","27.589","0.0007","27.589","0.0007","13.7636","0.0006","90","","90","","90","","10476.2","0.6","186","2","186","2","","","","","","","","6","I -4","I -4","82","","","","- C53 H42 Cu N3 O2 P2 -","- C53 H41 Cu N3 O2 P2 -","- C424 H328 Cu8 N24 O16 P16 -","8","1","","Min, Junhui; Zhang, Qisheng; Sun, Wei; Cheng, Yanxiang; Wang, Lixiang","Neutral copper(I) phosphorescent complexes from their ionic counterparts with 2-(2'-quinolyl)benzimidazole and phosphine mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","686","693","10.1039/c0dt01031f","","","0.71073","MoKα","","0.0898","0.0684","","","0.178","0.1919","","","","","","1.059","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014658","10.6781","0.0005","11.5317","0.0005","19.6402","0.0008","81.294","0.001","79.7","0.001","77.3","0.001","2305.37","0.17","186","2","186","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H48 Cu N3 O2 P2 -","- C54 H46 Cu N3 O2 P2 -","- C108 H92 Cu2 N6 O4 P4 -","2","1","","Min, Junhui; Zhang, Qisheng; Sun, Wei; Cheng, Yanxiang; Wang, Lixiang","Neutral copper(I) phosphorescent complexes from their ionic counterparts with 2-(2'-quinolyl)benzimidazole and phosphine mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","686","693","10.1039/c0dt01031f","","","0.71073","MoKα","","0.0635","0.0498","","","0.123","0.1329","","","","","","1.024","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014659","10.753","0.0009","14.0616","0.0011","17.4536","0.0014","103.148","0.001","97.912","0.001","90.404","0.001","2543.4","0.4","186","2","186","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H46 B Cl4 Cu F4 N3 P2 -","- C54 H44 B Cl4 Cu F4 N3 P2 -","- C108 H88 B2 Cl8 Cu2 F8 N6 P4 -","2","1","","Min, Junhui; Zhang, Qisheng; Sun, Wei; Cheng, Yanxiang; Wang, Lixiang","Neutral copper(I) phosphorescent complexes from their ionic counterparts with 2-(2'-quinolyl)benzimidazole and phosphine mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","686","693","10.1039/c0dt01031f","","","0.71073","MoKα","","0.0835","0.054","","","0.1148","0.1247","","","","","","1.025","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014660","12.5097","0.0009","13.1767","0.0009","18.4459","0.0013","100.981","0.001","93.107","0.001","114.832","0.001","2678","0.3","186","2","186","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H47 B Cl1.5 Cu F4 N3 O5 P2 -","- C55 H40 B Cl3 Cu F4 N3 O4 P2 -","- C110 H80 B2 Cl6 Cu2 F8 N6 O8 P4 -","2","1","","Min, Junhui; Zhang, Qisheng; Sun, Wei; Cheng, Yanxiang; Wang, Lixiang","Neutral copper(I) phosphorescent complexes from their ionic counterparts with 2-(2'-quinolyl)benzimidazole and phosphine mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","686","693","10.1039/c0dt01031f","","","0.71073","MoKα","","0.0919","0.0678","","","0.1858","0.2037","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014661","11.9513","0.0017","12.3535","0.0018","18.16","0.003","90.838","0.003","91.333","0.003","90.275","0.003","2680.1","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H73 B2 Cu N5 -","- C62 H73 B2 Cu N5 -","- C124 H146 B4 Cu2 N10 -","2","1","","Choi, Yu Jin; Cho, Kyung-Bin; Kubo, Minoru; Ogura, Takashi; Karlin, Kenneth D.; Cho, Jaeheung; Nam, Wonwoo","Spectroscopic and computational characterization of Cu(II)-OOR (R = H or cumyl) complexes bearing a Me(6)-tren ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2234","2241","10.1039/c0dt01036g","","","0.71073","MoKα","","0.0944","0.044","","","0.0803","0.0871","","","","","","0.735","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014662","8.309","0.002","12.521","0.003","19.225","0.006","90","","105.17","0.03","90","","1930.4","0.9","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Bis(mu-(bi(diethylamino)phosphinephosphinideno)-bis- cyclopentadienylo zirconium(IV))","Bis[μ-{bi(diethylamino)phosphinephosphinideno}-bis-cyclopentadienylo zirconium(IV)]","","- C36 H60 N4 P4 Zr2 -","- C36 H60 N4 P4 Zr2 -","- C72 H120 N8 P8 Zr4 -","2","0.5","","Grubba, Rafał; Wiśniewska, Aleksandra; Baranowska, Katarzyna; Matern, Eberhard; Pikies, Jerzy","Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [Cp(2)Hf(Cl){η(1)-(Me(3)Si)P-P(NEt(2))(2)}] and the first zirconocene-phosphanylphosphinidene dimer [Cp(2)Zr{μ(2)-P-P(NEt(2))(2)}(2)ZrCp(2)].","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2017","2024","10.1039/c0dt01040e","","","0.71073","MoKα","","0.1477","0.0586","","","0.1432","0.1856","","","","","","1.044","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014663","11.0239","0.0017","15.008","0.002","16.892","0.003","71.665","0.014","78.786","0.013","81.294","0.013","2590","0.7","120","2","120","2","","","","","","","synthesis as described","7","P -1","-P 1","2","((Bis- diethylaminophosphanyl)(trimethylsilyl)phosphide)(chlorido) (bis- cyclopentadienylo) hafnium(IV)","{(Bis-diethylaminophosphanyl)(trimethylsilyl)phosphide}(chlorido) (bis-cyclopentadienylo) hafnium(IV)","","- C21 H39 Cl Hf N2 P2 Si -","- C21 H39 Cl Hf N2 P2 Si -","- C84 H156 Cl4 Hf4 N8 P8 Si4 -","4","2","","Grubba, Rafał; Wiśniewska, Aleksandra; Baranowska, Katarzyna; Matern, Eberhard; Pikies, Jerzy","Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [Cp(2)Hf(Cl){η(1)-(Me(3)Si)P-P(NEt(2))(2)}] and the first zirconocene-phosphanylphosphinidene dimer [Cp(2)Zr{μ(2)-P-P(NEt(2))(2)}(2)ZrCp(2)].","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2017","2024","10.1039/c0dt01040e","","x-ray","0.71073","MoKα","","0.1372","0.0836","","","0.2156","0.2462","","","","","","0.986","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014664","5.5379","0.0004","14.5782","0.0011","19.5515","0.0014","107.112","0.001","92.475","0.001","91.974","0.001","1505.32","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 N2 S2 -","- C34 H44 N2 S2 -","- C68 H88 N4 S4 -","2","1","","Dai, Feng-Rong; Wu, Wen-Jun; Wang, Qi-Wei; Tian, He; Wong, Wai-Yeung","Heteroleptic ruthenium complexes containing uncommon 5,5'-disubstituted-2,2'-bipyridine chromophores for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2314","2323","10.1039/c0dt01043j","","","0.71073","MoKα","","0.0586","0.0495","","","0.1431","0.1539","","","","","","1.006","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014665","14.9729","0.0015","25.621","0.003","11.2567","0.0011","90","","128.422","0.002","90","","3383.2","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C184 H136 N16 -","4","0.5","","Dai, Feng-Rong; Wu, Wen-Jun; Wang, Qi-Wei; Tian, He; Wong, Wai-Yeung","Heteroleptic ruthenium complexes containing uncommon 5,5'-disubstituted-2,2'-bipyridine chromophores for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2314","2323","10.1039/c0dt01043j","","","0.71073","MoKα","","0.0969","0.0585","","","0.1609","0.1888","","","","","","1.031","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014666","10.7447","0.001","11.8346","0.0011","17.2692","0.0016","95.596","0.002","97.058","0.002","108.418","0.002","2045.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H38 N4 S2 -","- C54 H38 N4 S2 -","- C108 H76 N8 S4 -","2","1","","Dai, Feng-Rong; Wu, Wen-Jun; Wang, Qi-Wei; Tian, He; Wong, Wai-Yeung","Heteroleptic ruthenium complexes containing uncommon 5,5'-disubstituted-2,2'-bipyridine chromophores for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2314","2323","10.1039/c0dt01043j","","","0.71073","MoKα","","0.0665","0.0445","","","0.1148","0.1293","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014667","14.531","0.0009","15.3647","0.001","15.0069","0.001","90","","93.643","0.001","90","","3343.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 N13 O14 Sm -","- C21 H40 N13 O14 Sm -","- C84 H160 N52 O56 Sm4 -","4","1","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.0293","0.0243","","","0.0581","0.0603","","","","","","1.067","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014668","14.54","0.006","15.354","0.006","14.989","0.006","90","","93.25","0.009","90","","3341","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 Eu N13 O14 -","- C21 H40 Eu N13 O14 -","- C84 H160 Eu4 N52 O56 -","4","1","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.0913","0.0718","","","0.1755","0.1889","","","","","","1.174","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014669","10.145","0.001","21.166","0.002","16.3695","0.0017","90","","106.85","0.002","90","","3364.1","0.6","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 Gd N13 O14 -","- C21 H32 Gd N13 O14 -","- C84 H128 Gd4 N52 O56 -","4","1","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.0487","0.0378","","","0.1028","0.1074","","","","","","1.043","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014670","14.4831","0.0007","15.3207","0.0007","14.9738","0.0007","90","","93.346","0.001","90","","3316.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 N13 O14 Tb -","- C21 H34 N13 O14 Tb -","- C84 H136 N52 O56 Tb4 -","4","1","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.0533","0.0513","","","0.1019","0.1027","","","","","","1.343","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014671","14.4882","0.0007","15.3415","0.0007","14.9839","0.0007","90","","93.249","0.001","90","","3325.1","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 Dy N13 O14 -","- C21 H40 Dy N13 O14 -","- C84 H160 Dy4 N52 O56 -","4","1","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.0436","0.0409","","","0.0859","0.0871","","","","","","1.206","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014672","11.0955","0.0013","16.3259","0.0019","17.628","0.002","103.252","0.002","107.393","0.002","103.955","0.002","2796.4","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 N13 O10 Sm -","- C19 H28 N13 O10 Sm -","- C76 H112 N52 O40 Sm4 -","4","2","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.1131","0.0901","","","0.2449","0.264","","","","","","1.015","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014673","11.126","0.004","16.104","0.006","17.585","0.007","102.599","0.006","107.322","0.006","104.235","0.006","2767.2","1.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Eu N13 O10 -","- C19 H28 Eu N13 O10 -","- C76 H112 Eu4 N52 O40 -","4","2","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.1034","0.0769","","","0.1876","0.2068","","","","","","1.059","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014674","11.145","0.004","16.089","0.007","17.548","0.007","102.336","0.006","107.675","0.006","104.145","0.006","2762.4","1.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Gd N13 O10 -","- C19 H28 Gd N13 O10 -","- C76 H112 Gd4 N52 O40 -","4","2","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.1298","0.0929","","","0.1798","0.1954","","","","","","1.117","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014675","11.172","0.003","16.142","0.005","17.528","0.005","101.836","0.005","108.106","0.004","104.166","0.005","2774.2","1.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 N13 O10 Tb -","- C19 H28 N13 O10 Tb -","- C76 H112 N52 O40 Tb4 -","4","2","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.1073","0.076","","","0.1464","0.1579","","","","","","1.09","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014676","11.205","0.003","16.115","0.005","17.472","0.005","100.834","0.005","108.384","0.004","104.729","0.005","2769.2","1.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Dy N13 O10 -","- C19 H28 Dy N13 O10 -","- C76 H112 Dy4 N52 O40 -","4","2","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.0949","0.0677","","","0.1598","0.1789","","","","","","1.057","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014677","8.1731","0.0015","15.354","0.003","39.204","0.007","90","","94.183","0.003","90","","4906.6","1.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 N10 O11 Sm -","- C14 H25 N10 O11 Sm -","- C112 H200 N80 O88 Sm8 -","8","1","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.044","0.0335","","","0.0605","0.0638","","","","","","1.045","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014678","8.1695","0.0014","15.333","0.003","39.165","0.007","90","","94.318","0.003","90","","4892","1.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 Eu N10 O11 -","- C14 H25 Eu N10 O11 -","- C112 H200 Eu8 N80 O88 -","8","1","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.0444","0.0341","","","0.0696","0.0737","","","","","","1.032","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014679","8.1523","0.001","15.2716","0.0017","39.174","0.004","90","","94.396","0.002","90","","4862.8","0.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 Gd N10 O11 -","- C14 H25 Gd N10 O11 -","- C112 H200 Gd8 N80 O88 -","8","1","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.0547","0.0361","","","0.0602","0.0765","","","","","","1.037","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014680","8.1574","0.0019","15.206","0.004","39.097","0.009","90","","94.717","0.003","90","","4833","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 N10 O11 Tb -","- C14 H24 N10 O11 Tb -","- C112 H192 N80 O88 Tb8 -","8","1","","Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki","Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2249","2256","10.1039/c0dt01046d","","","0.71073","MoKα","","0.0464","0.0386","","","0.075","0.0776","","","","","","1.109","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014681","10.0607","0.0003","8.3977","0.0004","17.5907","0.0006","90","","95.1177","0.0007","90","","1480.26","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Mo O3 Si2 -","- C31 H40 Mo O3 Si2 -","- C62 H80 Mo2 O6 Si4 -","2","1","","Komuro, Takashi; Begum, Rockshana; Ono, Rikima; Tobita, Hiromi","Synthesis and characterisation of hydrido molybdenum and tungsten complexes having a hemilabile tridentate Si,Si,O-ligand: observation of stepwise hydrosilylation of a nitrile to form an N-silylimine on the metal centre.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2348","2357","10.1039/c0dt01047b","","","0.71069","MoKα","","0.0491","0.0421","","","0.1099","0.1171","","","","","","1.196","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014682","11.2178","0.0003","14.7149","0.0005","20.419","0.0006","90","","90","","90","","3370.54","0.18","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 Mo N O2 Si2 -","- C35 H49 Mo N O2 Si2 -","- C140 H196 Mo4 N4 O8 Si8 -","4","1","","Komuro, Takashi; Begum, Rockshana; Ono, Rikima; Tobita, Hiromi","Synthesis and characterisation of hydrido molybdenum and tungsten complexes having a hemilabile tridentate Si,Si,O-ligand: observation of stepwise hydrosilylation of a nitrile to form an N-silylimine on the metal centre.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2348","2357","10.1039/c0dt01047b","","","0.71069","MoKα","","0.0339","0.0323","","","0.0848","0.0878","","","","","","1.277","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014683","21.5695","0.0007","8.7738","0.0002","21.5198","0.0007","90","","124.296","0.0012","90","","3364.49","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 N O2 Si2 W -","- C37 H45 N O2 Si2 W -","- C148 H180 N4 O8 Si8 W4 -","4","1","","Komuro, Takashi; Begum, Rockshana; Ono, Rikima; Tobita, Hiromi","Synthesis and characterisation of hydrido molybdenum and tungsten complexes having a hemilabile tridentate Si,Si,O-ligand: observation of stepwise hydrosilylation of a nitrile to form an N-silylimine on the metal centre.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2348","2357","10.1039/c0dt01047b","","","0.71069","MoKα","","0.0402","0.0342","","","0.1023","0.1177","","","","","","1.141","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014684","9.935","0.002","20.917","0.004","12.996","0.003","90","","102.57","0.03","90","","2636","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 P4 Pd2 -","- C60 H66 P4 Pd2 -","- C120 H132 P8 Pd4 -","2","0.5","","Bar, Arun Kumar; Shanmugaraju, Sankarasekaran; Chi, Ki-Whan; Mukherjee, Partha Sarathi","Self-assembly of neutral and cationic Pd(II) organometallic molecular rectangles: synthesis, characterization and nitroaromatic sensing.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2257","2267","10.1039/c0dt01048k","","","0.71073","MoKα","","0.0558","0.0388","","","0.0977","0.1042","","","","","","0.997","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014685","14.9195","0.0004","16.3981","0.0005","21.0942","0.0006","90","","110.127","0.002","90","","4845.6","0.2","298","","298","","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 N4 Sn -","- C50 H70 N4 Sn -","- C200 H280 N16 Sn4 -","4","1","","Phomphrai, Khamphee; Pongchan-O, Chatyapha; Thumrongpatanaraks, Wipavee; Sangtrirutnugul, Preeyanuch; Kongsaeree, Palangpon; Pohmakotr, Manat","Synthesis of high-molecular-weight poly(ε-caprolactone) catalyzed by highly active bis(amidinate) tin(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2157","2159","10.1039/c0dt01050b","","","0.71073","MoKα","","0.0862","0.0554","","","0.1509","0.1761","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014686","8.813","0.004","16.698","0.01","19.73","0.01","99.713","0.005","92.921","0.008","97.42","0.01","2830","3","180","","","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H77 B2 Co F8 N6 O3.5 -","- C56 H75 B2 Co F8 N6 O3.5 -","- C112 H150 B4 Co2 F16 N12 O7 -","2","1","","Hayami, Shinya; Kato, Kazuya; Komatsu, Yasuka; Fuyuhiro, Akira; Ohba, Masaaki","Unique spin transition and wide thermal hysteresis loop for a cobalt(ii) compound with long alkyl chain.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2167","2169","10.1039/c0dt01052a","","","0.7107","MoKα","","","0.075","","","","0.1244","","","","","","1.194","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014687","8.7846","0.0014","9.1746","0.0015","12.361","0.002","90.693","0.003","97.346","0.002","107.751","0.002","939.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N6 O -","- C23 H18 N6 O -","- C46 H36 N12 O2 -","2","1","","Yang, Zhenghao; Yan, Chongchong; Chen, Yuncong; Zhu, Chengcheng; Zhang, Changli; Dong, Xindian; Yang, Weiqi; Guo, Zijian; Lu, Yi; He, Weijiang","A novel terpyridine/benzofurazan hybrid fluorophore: metal sensing behavior and application.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2173","2176","10.1039/c0dt01053g","","","0.71073","MoKα","","0.1313","0.0554","","","0.1044","0.1331","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014688","9.962","0.0002","11.0806","0.0002","16.8565","0.0004","90","","99.891","0.001","90","","1833.05","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N4 V2 -","- C42 H50 N4 V2 -","- C84 H100 N8 V4 -","2","0.5","","Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou","Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2324","2331","10.1039/c0dt01061h","","","0.71073","MoKα","","0.068","0.0508","","","0.1468","0.1636","","","","","","1.078","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014689","11.7457","0.0003","13.2452","0.0003","14.075","0.0004","92.513","0.001","91.647","0.001","91.833","0.001","2185.48","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H66 N4 V2 -","- C50 H66 N4 V2 -","- C100 H132 N8 V4 -","2","1","","Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou","Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2324","2331","10.1039/c0dt01061h","","","0.71073","MoKα","","0.0821","0.0534","","","0.1322","0.1501","","","","","","1.063","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014690","24.8878","0.0012","9.5634","0.0005","25.2169","0.0012","90","","112.559","0.002","90","","5542.7","0.5","200","2","200","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C72 H64 N4 V2 -","- C72 H64 N4 V2 -","- C288 H256 N16 V8 -","4","1","","Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou","Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2324","2331","10.1039/c0dt01061h","","","0.71073","MoKα","","0.1683","0.0714","","","0.1662","0.2118","","","","","","1.012","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014691","12.5137","0.0003","15.6445","0.0003","19.3631","0.0004","90","","97.661","0.001","90","","3756.89","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H55 N2 O V -","- C43 H55 N2 O V -","- C172 H220 N8 O4 V4 -","4","1","","Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou","Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2324","2331","10.1039/c0dt01061h","","","0.71073","MoKα","","0.0749","0.059","","","0.1472","0.1568","","","","","","1.016","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014692","18.054","0.0003","12.1652","0.0002","18.3858","0.0003","90","","108.099","0.001","90","","3838.28","0.11","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H51 N2 S2 V -","- C41 H51 N2 S2 V -","- C164 H204 N8 S8 V4 -","4","1","","Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou","Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2324","2331","10.1039/c0dt01061h","","","0.71073","MoKα","","0.0769","0.0593","","","0.1498","0.1712","","","","","","1.093","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014693","13.2728","0.0011","13.3879","0.0011","14.0552","0.0012","98.915","0.003","117.457","0.004","92.696","0.003","2169.3","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H59 N2 V -","- C53 H59 N2 V -","- C106 H118 N4 V2 -","2","1","","Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou","Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2324","2331","10.1039/c0dt01061h","","","0.71073","MoKα","","0.2764","0.1177","","","0.2258","0.305","","","","","","1.016","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014694","10.5293","0.0007","11.5042","0.0007","15.3296","0.0011","97.626","0.002","107.648","0.002","110.451","0.002","1597.66","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H50 Co5 N2 O24 -","- C66 H50 Co5 N2 O24 -","- C66 H50 Co5 N2 O24 -","1","0.5","","Hu, Sheng; Liu, Jun-Liang; Meng, Zhao-Sha; Zheng, Yan-Zhen; Lan, Yanhua; Powell, Annie K.; Tong, Ming-Liang","Pentacobalt(II) cluster based pcu network exhibits both magnetic slow-relaxation and hysteresis behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","27","30","10.1039/c0dt01062f","","","0.71073","MoKα","","0.0424","0.0327","","","0.0851","0.0906","","","","","","1.051","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014695","15.6452","0.0005","15.6452","0.0005","15.9953","0.0006","90","","90","","90","","3915.2","0.2","100.1","","100.1","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C21 H33 Br4 Cl3 Cu6 N4 S8 -","- C21 H32 Br4 Cl3 Cu6 N4 S8 -","- C84 H128 Br16 Cl12 Cu24 N16 S32 -","4","0.25","","Okubo, Takashi; Tanaka, Naoya; Kim, Kyung Ho; Anma, Haruho; Seki, Shu; Saeki, Akinori; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi","Crystal structure and carrier transport properties of a new 3D mixed-valence Cu(i)-Cu(ii) coordination polymer including pyrrolidine dithiocarbamate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2218","2224","10.1039/c0dt01065k","","","0.71075","MoKα","","","0.0365","","","","0.0872","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014696","10.2059","0.001","16.0954","0.0016","19.955","0.002","90","","95.573","0.002","90","","3262.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Ag2 Br2 N4 -","- C32 H40 Ag2 Br2 N4 -","- C128 H160 Ag8 Br8 N16 -","4","0.5","","Li, Yanbo; Chen, Xiaofeng; Song, Yin; Fang, Ling; Zou, Gang","Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A(3)-reaction of aldehydes, amines and alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2046","2052","10.1039/c0dt01074j","","","0.71073","MoKα","","0.0851","0.0701","","","0.232","0.2451","","","","","","1.098","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014697","9.5958","0.0014","10.0014","0.0014","10.5225","0.0015","78.32","0.002","68.86","0.002","84.966","0.002","922.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Ag Br N2 -","- C20 H22 Ag Br N2 -","- C40 H44 Ag2 Br2 N4 -","2","1","","Li, Yanbo; Chen, Xiaofeng; Song, Yin; Fang, Ling; Zou, Gang","Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A(3)-reaction of aldehydes, amines and alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2046","2052","10.1039/c0dt01074j","","","0.71073","MoKα","","0.0599","0.0539","","","0.1375","0.1412","","","","","","1.023","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014698","10.4641","0.0007","13.1306","0.0009","13.3806","0.0009","67.602","0.001","71.583","0.001","76.576","0.001","1599.59","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 Ag N5 O4 -","- C32 H42 Ag N5 O4 -","- C64 H84 Ag2 N10 O8 -","2","1","","Li, Yanbo; Chen, Xiaofeng; Song, Yin; Fang, Ling; Zou, Gang","Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A(3)-reaction of aldehydes, amines and alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2046","2052","10.1039/c0dt01074j","","","0.71073","MoKα","","0.0383","0.034","","","0.0813","0.083","","","","","","0.991","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014699","10.1326","0.001","16.0862","0.0016","19.984","0.002","90","","94.549","0.002","90","","3247","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Ag2 Cl2 N4 -","- C32 H40 Ag2 Cl2 N4 -","- C128 H160 Ag8 Cl8 N16 -","4","0.5","","Li, Yanbo; Chen, Xiaofeng; Song, Yin; Fang, Ling; Zou, Gang","Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A(3)-reaction of aldehydes, amines and alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2046","2052","10.1039/c0dt01074j","","","0.71073","MoKα","","0.0595","0.0501","","","0.138","0.1442","","","","","","1.099","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014700","8.6763","0.001","9.222","0.0011","12.2495","0.0015","91.356","0.002","105.679","0.002","97.504","0.002","933.78","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Ag Cl N2 -","- C20 H22 Ag Cl N2 -","- C40 H44 Ag2 Cl2 N4 -","2","1","","Li, Yanbo; Chen, Xiaofeng; Song, Yin; Fang, Ling; Zou, Gang","Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A(3)-reaction of aldehydes, amines and alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2046","2052","10.1039/c0dt01074j","","","0.71073","MoKα","","0.0868","0.0773","","","0.2171","0.2278","","","","","","1.069","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014701","13.6859","0.0009","13.6859","0.0009","19.184","0.002","90","","90","","90","","3593.2","0.5","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H32 Co N8 O9 S2 -","- C30 H30 Co N8 O9 S2 -","- C120 H120 Co4 N32 O36 S8 -","4","0.5","","Kawade, Vitthal A.; Kumbhar, Anupa A.; Kumbhar, Avinash S.; Näther, Christian; Erxleben, Andrea; Sonawane, Uddhavesh B.; Joshi, Rajendra R.","Mixed ligand cobalt(II) picolinate complexes: synthesis, characterization, DNA binding and photocleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","639","650","10.1039/c0dt01078b","","","0.71073","MoKα","","0.0983","0.0863","","","0.2283","0.2339","","","","","","1.178","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014702","24.0172","0.0013","17.3052","0.0011","14.1228","0.0007","90","","90","","90","","5869.8","0.6","170","2","170","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H18 Co N6 O4 -","- C30 H18 Co N6 O4 -","- C240 H144 Co8 N48 O32 -","8","1","","Kawade, Vitthal A.; Kumbhar, Anupa A.; Kumbhar, Avinash S.; Näther, Christian; Erxleben, Andrea; Sonawane, Uddhavesh B.; Joshi, Rajendra R.","Mixed ligand cobalt(II) picolinate complexes: synthesis, characterization, DNA binding and photocleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","639","650","10.1039/c0dt01078b","","","0.71073","MoKα","","0.0911","0.0691","","","0.1544","0.1623","","","","","","1.154","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014703","8.5253","0.0005","18.4782","0.0015","13.9892","0.0008","90","","93.898","0.007","90","","2198.7","0.3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Co N6 O4 -","- C26 H16 Co N6 O4 -","- C104 H64 Co4 N24 O16 -","4","1","","Kawade, Vitthal A.; Kumbhar, Anupa A.; Kumbhar, Avinash S.; Näther, Christian; Erxleben, Andrea; Sonawane, Uddhavesh B.; Joshi, Rajendra R.","Mixed ligand cobalt(II) picolinate complexes: synthesis, characterization, DNA binding and photocleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","639","650","10.1039/c0dt01078b","","","0.71073","MoKα","","0.0737","0.0509","","","0.1291","0.1407","","","","","","1.036","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014704","23.3141","0.0006","14.5564","0.0003","36.7535","0.0009","90","","98.262","0.001","90","","12343.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 B2 Fe N10 -","- C75 H78 B2 Fe N10 -","- C600 H624 B16 Fe8 N80 -","8","1","","Ni, Zhaoping; Fiedler, Stephanie R.; Shores, Matthew P.","Investigation of anion-dependence in the spin-state switching properties of [(H2bip)2Fe(6-Mebpy)]X2.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","944","950","10.1039/c0dt01079k","","","0.71073","MoKα","","0.0834","0.06","","","0.1286","0.1384","","","","","","1.101","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014705","23.726","0.005","14.829","0.003","37.103","0.007","90","","98.91","0.03","90","","12897","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 B2 Fe N10 -","- C75 H78 B2 Fe N10 -","- C600 H624 B16 Fe8 N80 -","8","1","","Ni, Zhaoping; Fiedler, Stephanie R.; Shores, Matthew P.","Investigation of anion-dependence in the spin-state switching properties of [(H2bip)2Fe(6-Mebpy)]X2.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","944","950","10.1039/c0dt01079k","","","0.71073","MoKα","","0.0792","0.0574","","","0.1309","0.1414","","","","","","1.128","","","","has coordinates,has disorder","288255","2023-12-12","15:41:27",""
"7014706","11.548","0.005","15.399","0.005","22.187","0.005","71.587","0.005","85.665","0.005","68.815","0.005","3487","2","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C90 H69 B Cl2 Cu F4 Fe N5 -","- C90 H69 B Cl2 Cu F4 Fe N5 -","- C180 H138 B2 Cl4 Cu2 F8 Fe2 N10 -","2","1","","Kume, Shoko; Nishihara, Hiroshi","Synchronized motion and electron transfer of a redox-active rotor.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2299","2305","10.1039/c0dt01084g","","","0.71073","MoKα","","","0.0696","","","","0.197","","","","","","1.063","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014707","10.747","0.005","11.762","0.005","12.896","0.005","75.128","0.005","70.329","0.005","86.267","0.005","1483.2","1.1","113","","113","","","","","","","","","7","P 1","P 1","1","","","","- C77 H57 B Cu F4 Fe N5 -","- C77 H57 B Cu F4 Fe N5 -","- C77 H57 B Cu F4 Fe N5 -","1","1","","Kume, Shoko; Nishihara, Hiroshi","Synchronized motion and electron transfer of a redox-active rotor.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2299","2305","10.1039/c0dt01084g","","","0.71073","MoKα","","","0.052","","","","0.1426","","","","","","1.037","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014708","11.964","0.005","22.314","0.005","24.781","0.005","90","0.005","117.169","0.012","90","0.005","5886","3","113","","113","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H49 B Cl4 Cu F4 Fe N5 -","- C71 H47 B Cl4 Cu F4 Fe N5 -","- C284 H188 B4 Cl16 Cu4 F16 Fe4 N20 -","4","1","","Kume, Shoko; Nishihara, Hiroshi","Synchronized motion and electron transfer of a redox-active rotor.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2299","2305","10.1039/c0dt01084g","","","0.71073","MoKα","","","0.0562","","","","0.1515","","","","","","1.028","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014709","13.539","0.005","19.954","0.005","24.387","0.005","106.434","0.005","91.68","0.005","90.049","0.005","6316","3","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C157 H112 B2 Cl2 Cu2 F8 Fe2 N10 -","- C157 H112 B2 Cl2 Cu2 F8 Fe2 N10 -","- C314 H224 B4 Cl4 Cu4 F16 Fe4 N20 -","2","1","","Kume, Shoko; Nishihara, Hiroshi","Synchronized motion and electron transfer of a redox-active rotor.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2299","2305","10.1039/c0dt01084g","","","0.71073","MoKα","","","0.1253","","","","0.3105","","","","","","1.12","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014710","11.667","0.005","14.676","0.005","16.178","0.005","83.368","0.005","88.056","0.005","75.878","0.005","2668.3","1.7","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H48 B Cl2 Cu F4 Fe N5 -","- C66 H47 B Cl2 Cu F4 Fe N5 -","- C132 H94 B2 Cl4 Cu2 F8 Fe2 N10 -","2","1","","Kume, Shoko; Nishihara, Hiroshi","Synchronized motion and electron transfer of a redox-active rotor.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2299","2305","10.1039/c0dt01084g","","","0.71073","MoKα","","","0.0961","","","","0.2968","","","","","","1.058","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014711","13.743","0.005","18.366","0.005","23.367","0.005","76.822","0.005","77.796","0.005","87.145","0.005","5613","3","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C135.5 H109 B2 Cl Cu2 F8 Fe2 N10 -","- C138.5 H109 B2 Cl Cu2 F8 Fe2 N10 -","- C277 H218 B4 Cl2 Cu4 F16 Fe4 N20 -","2","1","","Kume, Shoko; Nishihara, Hiroshi","Synchronized motion and electron transfer of a redox-active rotor.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2299","2305","10.1039/c0dt01084g","","","0.71073","MoKα","","","0.0643","","","","0.1851","","","","","","1.024","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014712","12.149","0.005","15.017","0.005","17.063","0.005","95.196","0.005","110.753","0.005","107.217","0.005","2713.2","1.6","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H51 B Cu F4 N5 -","- C70 H51 B Cu F4 N5 -","- C140 H102 B2 Cu2 F8 N10 -","2","1","","Kume, Shoko; Nishihara, Hiroshi","Synchronized motion and electron transfer of a redox-active rotor.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2299","2305","10.1039/c0dt01084g","","","0.71073","MoKα","","","0.0985","","","","0.3087","","","","","","1.051","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014713","7.4555","0.0003","13.2831","0.0008","22.2966","0.0007","90","","96.996","0.003","90","","2191.64","0.17","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Au Cl N4 O4 -","- C16 H27 Au Cl N4 O4 -","- C64 H108 Au4 Cl4 N16 O16 -","4","1","","Kunz, Peter C.; Wetzel, Corinna; Kögel, Susanne; Kassack, Matthias U.; Spingler, Bernhard","[(C3H4N2)2Au]Cl‒a bis protic gold(I)-NHC.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","35","37","10.1039/c0dt01089h","","","0.7107","MoKα","","0.0936","0.0657","","","0.1216","0.129","","","","","","1.2","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014714","8.51512","0.00018","14.1757","0.0002","23.3727","0.0005","90","","97.774","0.002","90","","2795.34","0.09","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Au Cl N4 -","- C6 H8 Au Cl N4 -","- C72 H96 Au12 Cl12 N48 -","12","1.5","","Kunz, Peter C.; Wetzel, Corinna; Kögel, Susanne; Kassack, Matthias U.; Spingler, Bernhard","[(C3H4N2)2Au]Cl‒a bis protic gold(I)-NHC.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","35","37","10.1039/c0dt01089h","","","0.7107","MoKα","","0.0512","0.0279","","","0.062","0.0642","","","","","","1.124","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014715","26.301","0.0011","13.4284","0.0007","42.785","0.002","90","","97.201","0.003","90","","14991.6","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59.25 H112 Co6 N4 O29.75 -","- C59.25 H88.5 Co6 N4 O29.75 -","- C474 H708 Co48 N32 O238 -","8","1","","Ferguson, Alan; Schmidtmann, Marc; Brechin, Euan K.; Murrie, Mark","Bis-tris propane as a new multidentate ligand for nickel- and cobalt-based spin clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","334","336","10.1039/c0dt01090a","","","0.71073","MoKα","","0.0967","0.0566","","","0.1394","0.16","","","","","","1.025","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014716","12.392","0.011","20.294","0.011","21.86","0.014","90","","91.3","0.04","90","","5496","7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.75 H87 N4 Ni4 O22.75 -","- C40.75 H75 N4 Ni4 O22.75 -","- C163 H300 N16 Ni16 O91 -","4","1","","Ferguson, Alan; Schmidtmann, Marc; Brechin, Euan K.; Murrie, Mark","Bis-tris propane as a new multidentate ligand for nickel- and cobalt-based spin clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","334","336","10.1039/c0dt01090a","","","0.71073","MoKα","","0.0702","0.0475","","","0.1313","0.1456","","","","","","1.024","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014717","21.3301","0.0018","22.146","0.0018","17.3065","0.0014","90","","95.123","0.002","90","","8142.5","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H74 B2 Fe N11 O2.5 S8 -","- C86 H66 B2 Fe N10 S8 -","- C344 H264 B8 Fe4 N40 S32 -","4","1","","Nihei, Masayuki; Takahashi, Nobukazu; Nishikawa, Hiroyuki; Oshio, Hiroki","Spin-crossover behavior and electrical conduction property in iron(ii) complexes with tetrathiafulvalene moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2154","2156","10.1039/c0dt01092h","","","0.71073","MoKα","","0.2552","0.1026","","","0.2129","0.271","","","","","","0.885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014718","13.6883","0.0015","14.9004","0.0018","18.364","0.002","89.572","0.003","83.176","0.003","74.454","0.003","3581.8","0.7","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H31 B F4 Fe N19 Ni2 S16 -","- C61 H31 B F4 Fe N19 Ni2 S16 -","- C122 H62 B2 F8 Fe2 N38 Ni4 S32 -","2","1","","Nihei, Masayuki; Takahashi, Nobukazu; Nishikawa, Hiroyuki; Oshio, Hiroki","Spin-crossover behavior and electrical conduction property in iron(ii) complexes with tetrathiafulvalene moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2154","2156","10.1039/c0dt01092h","","","0.71073","MoKα","","0.1848","0.0874","","","0.2079","0.2499","","","","","","0.888","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014719","13.828","0.002","15.156","0.002","18.255","0.003","89.772","0.002","83.344","0.002","74.195","0.002","3654.9","0.9","300","2","300","2","","","","","","","","8","P -1","-P 1","2","","","","- C122 H62 B2 F8 Fe2 N38 Ni4 S32 -","- C122 H62 B2 F8 Fe2 N38 Ni4 S32 -","- C122 H62 B2 F8 Fe2 N38 Ni4 S32 -","1","0.5","","Nihei, Masayuki; Takahashi, Nobukazu; Nishikawa, Hiroyuki; Oshio, Hiroki","Spin-crossover behavior and electrical conduction property in iron(ii) complexes with tetrathiafulvalene moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2154","2156","10.1039/c0dt01092h","","","0.71073","MoKα","","0.1132","0.0779","","","0.2196","0.2463","","","","","","0.975","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014720","18.3957","0.0004","18.3957","0.0004","18.3957","0.0004","90","","90","","90","","6225.1","0.2","220","2","220","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","Manganese perchlorate complex","Manganese perchlorate complex","","- C42 H66.82 Cl4 Mn2 N20 O19.41 -","- C42 H60 Cl4 Mn2 N20 O19.412 -","- C168 H240 Cl16 Mn8 N80 O77.648 -","4","0.333333","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","0.71073","MoKα","","0.0567","0.0409","","","0.0809","0.0885","","","","","","1","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014721","12.0249","0.0006","12.2729","0.0006","18.5072","0.0011","103.106","0.001","95.299","0.001","95.477","0.001","2629.6","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H61 F12 Fe2 N20 O P2 -","- C43 H61 F12 Fe2 N20 O P2 -","- C86 H122 F24 Fe4 N40 O2 P4 -","2","1","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","0.71073","MoKα","","0.0592","0.041","","","0.0858","0.0901","","","","","","0.952","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014722","21.3419","0.0003","12.514","0.0002","19.6566","0.0003","90","","93.0491","0.0013","90","","5242.31","0.14","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H57 B2 F8 Fe2 N20 -","- C42 H57 B2 F8 Fe2 N20 -","- C168 H228 B8 F32 Fe8 N80 -","4","0.5","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","1.54184","CuKα","","0.0678","0.0539","","","0.1536","0.1632","","","","","","1.02","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014723","21.4341","0.0014","12.4832","0.0006","19.5995","0.0007","90","","92.713","0.005","90","","5238.3","0.5","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H59 B2 Co F8 Fe N20 -","- C42 H59.014 B2 Co F8 Fe N20 -","- C168 H236.056 B8 Co4 F32 Fe4 N80 -","4","0.5","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","1.54184","CuKα","","0.0772","0.0544","","","0.1405","0.1508","","","","","","0.935","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014724","21.2022","0.0004","12.3477","0.0002","19.3014","0.0004","90","","92.5681","0.0019","90","","5048","0.16","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H28.5 B Co0.5 F4 Fe0.5 N10 -","- C21 H28.5 B Co0.5 F4 Fe0.5 N10 -","- C168 H228 B8 Co4 F32 Fe4 N80 -","8","1","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","1.54184","CuKα","","0.0593","0.0498","","","0.1431","0.1493","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014725","21.1965","0.0015","12.4243","0.0008","19.3105","0.0015","90","","92.783","0.007","90","","5079.5","0.6","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H29.5 B F4 Fe N10 O0.5 -","- C21 H29.5 B F4.0003 Fe N10 O0.5 -","- C168 H236 B8 F32.0024 Fe8 N80 O4 -","8","1","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","1.54178","CuKα","","0.0696","0.0479","","","0.1199","0.1282","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014726","21.2482","0.0009","12.2583","0.0005","22.2844","0.001","90","","92.653","0.004","90","","5798.1","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 B2 F8 Fe N10 -","- C21 H30 B2 F8 Fe N10 -","- C168 H240 B16 F64 Fe8 N80 -","8","1","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","1.54178","CuKα","","0.1184","0.0844","","","0.2221","0.2412","","","","","","0.978","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014727","21.327","0.004","12.677","0.002","20.069","0.003","90","","92.904","0.003","90","","5418.9","1.6","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","Cobalt Manganese complex","Cobalt Manganese complex","","- C42 H58.3 Cl2 Co Mn N20 O8.65 -","- C42 H57 Cl2 Co Mn N20 O8.656 -","- C168 H228 Cl8 Co4 Mn4 N80 O34.624 -","4","1","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","0.71073","MoKα","","0.0817","0.0574","","","0.1077","0.1156","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014728","12.4408","0.0002","21.6681","0.0005","21.9574","0.0011","90","","90","","90","","5919","0.3","123","2","123","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H57 Cl2 Co Mn N20 O8 -","- C42 H57 Cl2 Co Mn N20 O8 -","- C168 H228 Cl8 Co4 Mn4 N80 O32 -","4","0.5","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","1.54184","CuKα","","0.1177","0.076","","","0.2294","0.2581","","","","","","1.06","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014729","11.586","0.001","17.078","0.001","25.013","0.001","90","","90","","90","","4949.2","0.6","198","2","198","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H88 N6 O6 Zn5 -","- C36 H88 N6 O6 Zn5 -","- C144 H352 N24 O24 Zn20 -","4","0.5","","Ullrich, Matthias; Berger, Raphael J. F.; Jana, Surajit; Pape, Tania; Fröhlich, Roland; Mitzel, Norbert W.","Organozinc hydroxylamides: on the bulk-dependent interplay of nuclearity, structure and dynamics.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1144","1157","10.1039/c0dt01100b","","","0.71073","MoKα","","0.0528","0.0373","","","0.0714","0.0752","","","","","","1.065","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014730","9.171","0.001","17.464","0.001","19.446","0.001","90","","102.82","0.01","90","","3036.9","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H52 N4 O4 Zn4 -","- C20 H52 N4 O4 Zn4 -","- C80 H208 N16 O16 Zn16 -","4","1","","Ullrich, Matthias; Berger, Raphael J. F.; Jana, Surajit; Pape, Tania; Fröhlich, Roland; Mitzel, Norbert W.","Organozinc hydroxylamides: on the bulk-dependent interplay of nuclearity, structure and dynamics.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1144","1157","10.1039/c0dt01100b","","","0.71073","MoKα","","0.038","0.0275","","","0.0602","0.0635","","","","","","1.034","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014731","10.196","0.001","12.391","0.001","13.381","0.001","94.64","0.01","93.39","0.01","90.32","0.01","1682","0.2","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H59 N3 O4 Zn4 -","- C24 H59 N3 O4 Zn4 -","- C48 H118 N6 O8 Zn8 -","2","1","","Ullrich, Matthias; Berger, Raphael J. F.; Jana, Surajit; Pape, Tania; Fröhlich, Roland; Mitzel, Norbert W.","Organozinc hydroxylamides: on the bulk-dependent interplay of nuclearity, structure and dynamics.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1144","1157","10.1039/c0dt01100b","","","0.71073","MoKα","","0.053","0.04","","","0.0883","0.0939","","","","","","1.051","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014732","11.462","0.002","11.462","0.002","17.651","0.005","90","","90","","120","","2008.3","0.8","153","2","153","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H45 N3 O4 Zn4 -","- C17 H44.94 N3 O4 Zn4 -","- C51 H134.82 N9 O12 Zn12 -","3","0.333333","","Ullrich, Matthias; Berger, Raphael J. F.; Jana, Surajit; Pape, Tania; Fröhlich, Roland; Mitzel, Norbert W.","Organozinc hydroxylamides: on the bulk-dependent interplay of nuclearity, structure and dynamics.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1144","1157","10.1039/c0dt01100b","","","0.71073","MoKα","","0.0323","0.0304","","","0.0657","0.0662","","","","","","0.987","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014733","14.5266","0.0002","16.8586","0.0001","17.1335","0.0002","101.202","0.001","103.197","0.001","113.487","0.001","3550.37","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H150 I14 N12 P2 Pt -","- C84 H150 I14 N12 P2 Pt -","- C84 H150 I14 N12 P2 Pt -","1","0.5","","Snelders, Dennis J. M.; Siegler, Maxime A.; von Chrzanowski, Lars S.; Spek, Anthony L.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Coulombic inter-ligand repulsion effects on the Pt(ii) coordination chemistry of oligocationic, ammonium-functionalized triarylphosphines","Dalton Transactions","2011","40","11","2588","","10.1039/c0dt01105c","","","0.71073","MoKα","","0.0466","0.0394","","","0.1132","0.1172","","","","","","1.104","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014734","17.2539","0.0005","17.4111","0.0005","41.5254","0.0009","90","","90.209","0.001","90","","12474.5","0.6","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H79 I8 N6 O2 P Pt -","- C42 H79 I8.0005 N6 O2 P Pt -","- C336 H632 I64.004 N48 O16 P8 Pt8 -","8","1","","Snelders, Dennis J. M.; Siegler, Maxime A.; von Chrzanowski, Lars S.; Spek, Anthony L.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Coulombic inter-ligand repulsion effects on the Pt(ii) coordination chemistry of oligocationic, ammonium-functionalized triarylphosphines","Dalton Transactions","2011","40","11","2588","","10.1039/c0dt01105c","","","0.71073","MoKα","","0.0499","0.0369","","","0.0813","0.0862","","","","","","1.085","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014735","6.7876","0.0003","10.5043","0.0004","17.6083","0.0009","102.867","0.003","93.234","0.003","106.608","0.002","1163.14","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Al N3 O -","- C22 H30 Al N3 O -","- C44 H60 Al2 N6 O2 -","2","1","","Li, Chen-Yu; Tsai, Chen-Yen; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis, structural characterization and reactivity of aluminium complexes supported by benzotriazole phenoxide ligands: air-stable alumoxane as an efficient catalyst for ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1880","1887","10.1039/c0dt01108h","","","0.71073","MoKα","","0.1044","0.06","","","0.1676","0.2049","","","","","","1.018","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014736","13.4849","0.0005","13.9078","0.0005","17.8632","0.0006","78.436","0.002","70.643","0.002","66.815","0.002","2896.04","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H67 Al N6 O2 -","- C68 H67 Al N6 O2 -","- C136 H134 Al2 N12 O4 -","2","1","","Li, Chen-Yu; Tsai, Chen-Yen; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis, structural characterization and reactivity of aluminium complexes supported by benzotriazole phenoxide ligands: air-stable alumoxane as an efficient catalyst for ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1880","1887","10.1039/c0dt01108h","","","0.71073","MoKα","","0.1378","0.0609","","","0.1595","0.1968","","","","","","1.018","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014737","21.7765","0.0008","22.162","0.0008","24.9183","0.0008","90","","112.629","0.002","90","","11100","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C131 H120 Al2 N12 O5 -","- C131 H120 Al2 N12 O5 -","- C524 H480 Al8 N48 O20 -","4","1","","Li, Chen-Yu; Tsai, Chen-Yen; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis, structural characterization and reactivity of aluminium complexes supported by benzotriazole phenoxide ligands: air-stable alumoxane as an efficient catalyst for ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1880","1887","10.1039/c0dt01108h","","","0.71073","MoKα","","0.1978","0.064","","","0.1157","0.1555","","","","","","1.014","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014738","8.8348","0.0018","15.403","0.003","16.015","0.003","117.33","0.03","101.66","0.03","91.24","0.03","1879.7","0.9","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H27 Bi Cl2 Si3 -","- C10 H27 Bi Cl2 Si3 -","- C40 H108 Bi4 Cl8 Si12 -","4","2","","Traut, Stephan; Hähnel, Alexander Peter; von Hänisch, Carsten","Dichloro organosilicon bismuthanes as precursors for rare compounds with a bismuth-pnictogen or bismuth-tellurium bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1365","1371","10.1039/c0dt01111h","","","0.71073","MoKα","","0.0707","0.0645","","","0.1721","0.1774","","","","","","1.075","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014739","15.174","0.003","62.037","0.012","18.027","0.004","90","","113.73","0.03","90","","15535","7","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H184 As8 Li16 Si8 -","- C112 H184 As8 Li16 Si8 -","- C448 H736 As32 Li64 Si32 -","4","1","","Traut, Stephan; Hähnel, Alexander Peter; von Hänisch, Carsten","Dichloro organosilicon bismuthanes as precursors for rare compounds with a bismuth-pnictogen or bismuth-tellurium bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1365","1371","10.1039/c0dt01111h","","","0.71073","MoKα","","0.0949","0.0453","","","0.0799","0.088","","","","","","0.768","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014740","8.8043","0.0018","24.572","0.005","19.441","0.004","90","","97.62","0.03","90","","4168.7","1.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H61 Bi2 Cl2 P Si5 -","- C28 H61 Bi2 Cl2 P Si5 -","- C112 H244 Bi8 Cl8 P4 Si20 -","4","1","","Traut, Stephan; Hähnel, Alexander Peter; von Hänisch, Carsten","Dichloro organosilicon bismuthanes as precursors for rare compounds with a bismuth-pnictogen or bismuth-tellurium bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1365","1371","10.1039/c0dt01111h","","","0.71073","MoKα","","0.0369","0.0296","","","0.0674","0.0698","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014741","8.7598","0.0018","24.845","0.005","19.494","0.004","90","","98.14","0.03","90","","4199.9","1.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H61 As Bi2 Cl2 Si5 -","- C28 H61 As Bi2 Cl2 Si5 -","- C112 H244 As4 Bi8 Cl8 Si20 -","4","1","","Traut, Stephan; Hähnel, Alexander Peter; von Hänisch, Carsten","Dichloro organosilicon bismuthanes as precursors for rare compounds with a bismuth-pnictogen or bismuth-tellurium bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1365","1371","10.1039/c0dt01111h","","","0.71073","MoKα","","0.0438","0.0351","","","0.0781","0.0814","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014742","12.71","0.003","19.475","0.004","16.513","0.003","90","","103.84","0.03","90","","3968.7","1.5","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H59 As Bi2 Cl2 Si5 -","- C23 H59 As Bi2 Cl2 Si5 -","- C92 H236 As4 Bi8 Cl8 Si20 -","4","1","","Traut, Stephan; Hähnel, Alexander Peter; von Hänisch, Carsten","Dichloro organosilicon bismuthanes as precursors for rare compounds with a bismuth-pnictogen or bismuth-tellurium bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1365","1371","10.1039/c0dt01111h","","","0.71073","MoKα","","0.0358","0.0264","","","0.057","0.0593","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014743","9.4714","0.0019","12.499","0.003","13.486","0.003","95.73","0.03","102","0.03","93.67","0.03","1547.9","0.6","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H76 As2 Bi4 Cl4 Si8 -","- C28 H76 As2 Bi4 Cl4 Si8 -","- C28 H76 As2 Bi4 Cl4 Si8 -","1","0.5","","Traut, Stephan; Hähnel, Alexander Peter; von Hänisch, Carsten","Dichloro organosilicon bismuthanes as precursors for rare compounds with a bismuth-pnictogen or bismuth-tellurium bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1365","1371","10.1039/c0dt01111h","","","0.71073","MoKα","","0.057","0.0436","","","0.1162","0.1208","","","","","","1.013","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014744","9.3558","0.0019","30.934","0.006","17.645","0.004","90","","90.67","0.03","90","","5106.3","1.8","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H73 Bi Si10 Te2 -","- C25 H73 Bi Si10 Te2 -","- C100 H292 Bi4 Si40 Te8 -","4","1","","Traut, Stephan; Hähnel, Alexander Peter; von Hänisch, Carsten","Dichloro organosilicon bismuthanes as precursors for rare compounds with a bismuth-pnictogen or bismuth-tellurium bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1365","1371","10.1039/c0dt01111h","","","0.71073","MoKα","","0.0714","0.0616","","","0.1626","0.1697","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014745","9.0696","0.0018","17.556","0.004","19.768","0.004","70.34","0.03","88.12","0.03","86.74","0.03","2959","1.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H81 Bi O Si11 Te2 -","- C32 H90 Bi O Si11 Te2 -","- C64 H180 Bi2 O2 Si22 Te4 -","2","1","","Traut, Stephan; Hähnel, Alexander Peter; von Hänisch, Carsten","Dichloro organosilicon bismuthanes as precursors for rare compounds with a bismuth-pnictogen or bismuth-tellurium bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1365","1371","10.1039/c0dt01111h","","","0.71073","MoKα","","0.0832","0.0538","","","0.1113","0.1206","","","","","","0.971","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014746","9.9433","0.0017","14.206","0.002","15.379","0.003","90.458","0.002","98.89","0.003","92.966","0.003","2143.1","0.6","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H56 Cu2 F12 N6 O22 S4 Tb2 -","- C72 H56 Cu2 F12 N6 O22 S4 Tb2 -","- C72 H56 Cu2 F12 N6 O22 S4 Tb2 -","1","0.5","","Shiga, Takuya; Miyasaka, Hitoshi; Yamashita, Masahiro; Morimoto, Masakazu; Irie, Masahiro","Copper(ii)-terbium(iii) Single-Molecule Magnets linked by photochromic ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2275","2282","10.1039/c0dt01119c","","","0.71075","MoKα","","0.0349","0.0301","","","0.0801","0.0841","","","","","","1.002","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014747","13.91","0.005","15.097","0.005","18.928","0.009","87.86","0.02","85.12","0.02","68.33","0.02","3680","3","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C93 H73 Cu2 F18 N4 O21 S6 Tb2 -","- C93 H73 Cu2 F18 N4 O21 S6 Tb2 -","- C93 H73 Cu2 F18 N4 O21 S6 Tb2 -","1","0.5","","Shiga, Takuya; Miyasaka, Hitoshi; Yamashita, Masahiro; Morimoto, Masakazu; Irie, Masahiro","Copper(ii)-terbium(iii) Single-Molecule Magnets linked by photochromic ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2275","2282","10.1039/c0dt01119c","","","0.71075","MoKα","","0.1272","0.0971","","","0.2759","0.3027","","","","","","1.021","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014748","9.1476","0.0002","17.3437","0.0003","17.1771","0.0003","90","","99.939","0.002","90","","2684.3","0.09","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B2 Br N12 Ru -","- C24 H23 B2 Br N12 Ru -","- C96 H92 B8 Br4 N48 Ru4 -","4","1","","Zagermann, Johannes; Molon, Mariusz; Metzler-Nolte, Nils","Microwave-assisted synthesis of the Tp sandwich compound TpRu(p-Br-C6H4Tp) and application of its benzoic acid derivative TpRu(p-(CO2H)-C6H4Tp) in the covalent labelling of biomolecules.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1011","1015","10.1039/c0dt01121e","","","0.71073","MoKα","","0.0292","0.0232","","","0.0556","0.0565","","","","","","0.979","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014749","6.9794","0.0015","22.703","0.005","10.259","0.002","90","","105.843","0.003","90","","1563.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cu N3 O3 S -","- C15 H15 Cu N3 O3 S -","- C60 H60 Cu4 N12 O12 S4 -","4","1","","Chi, Yan-Hui; Yu, Li; Shi, Jing-Min; Zhang, Yi-Quan; Hu, Tai-Qiu; Zhang, Gui-Qiu; Shi, Wei; Cheng, Peng","π-π Stacking and ferromagnetic coupling mechanism on a binuclear Cu(II) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1453","1462","10.1039/c0dt01127d","","","0.71073","MoKα","","0.0746","0.0535","","","0.1317","0.1399","","","","","","1.032","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014750","15.8084","0.001","15.7072","0.0009","33.206","0.0016","90","","102.529","0.0016","90","","8048.9","0.8","173.1","","173.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H86 Cu2 F24 N8 O5 P4 -","- C63 H86 Cu2 F24 N8 O5 P4 -","- C252 H344 Cu8 F96 N32 O20 P16 -","4","1","","Noro, Shin-Ichiro; Ohba, Tomonori; Fukuhara, Katsuo; Takahashi, Yukiko; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Diverse structures and adsorption properties of quasi-Werner-type copper(ii) complexes with flexible and polar axial bonds.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2268","2274","10.1039/c0dt01129k","","","0.71075","MoKα","","","0.091","","","","0.129","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014751","15.9844","0.001","15.7733","0.0013","33.098","0.003","90","","102.242","0.0019","90","","8155.1","1.1","173.1","","173.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H92 Cu2 F24 N8 O4.5 P4 -","- C66 H89 Cu2 F24 N8 O4.5 P4 -","- C264 H356 Cu8 F96 N32 O18 P16 -","4","1","","Noro, Shin-Ichiro; Ohba, Tomonori; Fukuhara, Katsuo; Takahashi, Yukiko; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Diverse structures and adsorption properties of quasi-Werner-type copper(ii) complexes with flexible and polar axial bonds.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2268","2274","10.1039/c0dt01129k","","","0.71075","MoKα","","","0.0998","","","","0.1633","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014752","11.3833","0.0006","11.465","0.0005","16.2264","0.0008","75.6619","0.0017","83.2147","0.0015","89.1992","0.0014","2037.11","0.17","173.1","","173.1","","","","","","","","","7","P 1","P 1","1","","","","- C72 H82 Cu2 F24 N8 O P4 -","- C72 H80 Cu2 F24 N8 O P4 -","- C72 H80 Cu2 F24 N8 O P4 -","1","1","","Noro, Shin-Ichiro; Ohba, Tomonori; Fukuhara, Katsuo; Takahashi, Yukiko; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Diverse structures and adsorption properties of quasi-Werner-type copper(ii) complexes with flexible and polar axial bonds.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2268","2274","10.1039/c0dt01129k","","","0.71075","MoKα","","","0.0583","","","","0.1014","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014753","15.7382","0.0005","16.4401","0.0006","15.7189","0.0005","90","","90","","90","","4067.1","0.2","100","","100","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C36 H40 Cu F12 N4 P2 -","- C36 H40 Cu F12 N4 P2 -","- C144 H160 Cu4 F48 N16 P8 -","4","0.5","","Noro, Shin-Ichiro; Ohba, Tomonori; Fukuhara, Katsuo; Takahashi, Yukiko; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Diverse structures and adsorption properties of quasi-Werner-type copper(ii) complexes with flexible and polar axial bonds.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2268","2274","10.1039/c0dt01129k","","","0.71075","MoKα","","","0.0535","","","","0.1848","","","","","","1.075","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014754","7.8629","0.0008","15.2","0.0014","13.2641","0.0014","90","","101.879","0.012","90","","1551.3","0.3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 Cl2 Cr F10 N2 -","- C12 Cl2 Cr F10 N2 -","- C48 Cl8 Cr4 F40 N8 -","4","1","","Rufanov, Konstantin A.; Kipke, Jennifer; Sundermeyer, Jörg","Sulfinylamine metathesis at oxo metal species - convenient entry into imido metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1990","1997","10.1039/c0dt01133a","","","0.71073","MoKα","","0.0685","0.0376","","","0.0657","0.0727","","","","","","0.913","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014755","14.2157","0.0006","8.5808","0.0005","14.6107","0.0008","90","","96.439","0.005","90","","1771","0.16","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 Cl8 Cr N2 -","- C12 H4 Cl8 Cr N2 -","- C48 H16 Cl32 Cr4 N8 -","4","0.5","","Rufanov, Konstantin A.; Kipke, Jennifer; Sundermeyer, Jörg","Sulfinylamine metathesis at oxo metal species - convenient entry into imido metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1990","1997","10.1039/c0dt01133a","","","0.71073","MoKα","","0.0299","0.0258","","","0.0651","0.0676","","","","","","1.104","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014756","12.052","0.0005","5.4998","0.0002","11.4291","0.0004","90","","94.626","0.004","90","","755.09","0.05","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 2","","","- C8 H F4 N O2 -","- C8 H F4 N O2 -","- C32 H4 F16 N4 O8 -","4","1","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.056","0.0436","","","0.097","0.1028","","","","","","1.129","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014757","9.5135","0.0008","24.759","0.002","10.7793","0.0006","90","","91.391","0.006","90","","2538.3","0.3","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 4","","","- C11 H9 F4 N O2 Si -","- C11 H9 F4 N O2 Si -","- C88 H72 F32 N8 O16 Si8 -","8","2","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.1449","0.0516","","","0.0388","0.0495","","","","","","0.869","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014758","19.1926","0.0006","6.6264","0.0002","20.1512","0.0007","90","","90.257","0.003","90","","2562.76","0.14","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 5","","","- C11 H9 F4 N O2 Sn -","- C11 H9 F4 N O2 Sn -","- C88 H72 F32 N8 O16 Sn8 -","8","2","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.05","0.0288","","","0.0555","0.0583","","","","","","0.912","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014759","7.93961","0.00012","26.9636","0.0004","10.48883","0.00015","90","","105.245","0.002","90","","2166.44","0.06","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 6","","","- C20 H6 Ag2 F8 N4 O4 -","- C20 H6 Ag2 F8 N4 O4 -","- C80 H24 Ag8 F32 N16 O16 -","4","1","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.0305","0.0247","","","0.0496","0.0508","","","","","","1.181","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014760","9.4073","0.0007","6.303","0.0005","10.1518","0.001","90","","108.929","0.009","90","","569.39","0.09","140","1","140","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Compound 7","","","- C10 H3 F4 I N2 O2 -","- C10 H3 F4 I N2 O2 -","- C20 H6 F8 I2 N4 O4 -","2","0.5","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.0786","0.0566","","","0.1159","0.1228","","","","","","1.063","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014761","13.79281","0.00011","12.00838","0.00011","28.109","0.0003","90","","100.414","0.001","90","","4578.98","0.08","140","1","140","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 8a","","","- C26 H15 Au F4 N O2 P -","- C26 H15 Au F4 N O2 P -","- C208 H120 Au8 F32 N8 O16 P8 -","8","2","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.0716","0.0522","","","0.0702","0.0737","","","","","","1.214","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014762","11.3527","0.0008","11.7282","0.0009","11.9341","0.0009","74.895","0.006","69.615","0.007","72.833","0.006","1400.86","0.19","140","1","140","1","","","","","","","","7","P -1","-P 1","2","Compound 8b","","","- C29.5 H37 Au F4 N O2 P -","- C29.5 H37 Au F4 N O2 P -","- C59 H74 Au2 F8 N2 O4 P2 -","2","1","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.0377","0.0314","","","0.0788","0.0833","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014763","11.867","0.0017","23.7634","0.0014","6.6297","0.0005","90","","90.071","0.009","90","","1869.6","0.3","140","1","140","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 9","","","- C19 H16 Au F4 N O2 S -","- C19 H16 Au F4 N O2 S -","- C76 H64 Au4 F16 N4 O8 S4 -","4","1","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.0824","0.0524","","","0.0915","0.0991","","","","","","1.043","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014764","8.24928","0.00009","9.4915","0.00015","16.8812","0.0003","94.1577","0.0013","94.4125","0.0011","111.36","0.0012","1220.11","0.03","140","1","140","1","","","","","","","","7","P -1","-P 1","2","Compound 10","","","- C22 H9 Ag Au F8 N5 O4 -","- C22 H9 Ag Au F8 N5 O4 -","- C44 H18 Ag2 Au2 F16 N10 O8 -","2","1","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","Mo-Kα","","0.0211","0.0174","","","0.0411","0.0418","","","","","","1.042","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014765","15.4133","0.0011","32.505","0.002","16.4236","0.0012","90","","89.997","0.002","90","","8228.4","1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Compound 11","","","- C86 H42 Au B2 F34 N O3.5 P2 -","- C87.35 H30 Au B2 F34 N O2 P2 -","- C349.4 H120 Au4 B8 F136 N4 O8 P8 -","4","1","","Savjani, Nicky; Lancaster, Simon J.; Bew, Sean; Hughes, David L.; Bochmann, Manfred","Synthesis and structures of gold perfluorophthalimido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1079","1090","10.1039/c0dt01134g","","","0.71073","MoKα","","0.1111","0.0878","","","0.1794","0.1924","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014766","16.2199","0.0008","24.6037","0.0012","26.3241","0.0013","90","","90.22","0.001","90","","10505.1","0.9","130","2","130","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C78 H147.5 Fe2 N3 O36.25 Zr6 -","- C78 H147 Fe2 N3 O36.25 Zr6 -","- C312 H588 Fe8 N12 O145 Zr24 -","4","2","","Malaestean, Iurii L.; Speldrich, Manfred; Ellern, Arkady; Baca, Svetlana G.; Kögerler, Paul","Heterometal expansion of oxozirconium carboxylate clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","331","333","10.1039/c0dt01136c","","","0.71073","MoKα","","0.0547","0.0387","","","0.0683","0.071","","","","","","0.827","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014767","14.35","0.015","16.034","0.017","23.32","0.02","102.439","0.018","95.803","0.018","115.106","0.016","4631","8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H124 Mn2 N2 O38 Zr6 -","- C64 H124 Mn2 N2 O38 Zr6 -","- C128 H248 Mn4 N4 O76 Zr12 -","2","1","","Malaestean, Iurii L.; Speldrich, Manfred; Ellern, Arkady; Baca, Svetlana G.; Kögerler, Paul","Heterometal expansion of oxozirconium carboxylate clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","331","333","10.1039/c0dt01136c","","","0.71073","MoKα","","0.1149","0.0574","","","0.127","0.1519","","","","","","1.045","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014768","20.3626","0.0007","31.919","0.0011","47.5022","0.0017","90","","90","","90","","30874.2","1.9","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73.33 H141 N3.67 Ni3 O38 Zr6 -","- C73.3333 H141 N3.66667 Ni3 O38 Zr6 -","- C880 H1692 N44 Ni36 O456 Zr72 -","12","3","","Malaestean, Iurii L.; Speldrich, Manfred; Ellern, Arkady; Baca, Svetlana G.; Kögerler, Paul","Heterometal expansion of oxozirconium carboxylate clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","331","333","10.1039/c0dt01136c","","","0.71073","MoKα","","0.0911","0.0596","","","0.1357","0.1528","","","","","","1.087","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014769","14.945","0.003","15.548","0.003","25.356","0.005","77.22","0.03","75.05","0.03","64.91","0.03","5113","2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H141 N5 Ni3 O36 Zr6 -","- C80 H141 N5 Ni3 O36 Zr6 -","- C160 H282 N10 Ni6 O72 Zr12 -","2","1","","Malaestean, Iurii L.; Speldrich, Manfred; Ellern, Arkady; Baca, Svetlana G.; Kögerler, Paul","Heterometal expansion of oxozirconium carboxylate clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","331","333","10.1039/c0dt01136c","","","0.71073","MoKα","","0.0651","0.0467","","","0.1296","0.1429","","","","","","1.038","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014770","15.2692","0.0007","17.907","0.0008","28.7434","0.0012","83.343","0.001","75.143","0.001","76.45","0.001","7371.9","0.6","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H216 N8 Ni6 O54 Zr6 -","- C120 H216 N8 Ni6 O54 Zr6 -","- C240 H432 N16 Ni12 O108 Zr12 -","2","1","","Malaestean, Iurii L.; Speldrich, Manfred; Ellern, Arkady; Baca, Svetlana G.; Kögerler, Paul","Heterometal expansion of oxozirconium carboxylate clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","331","333","10.1039/c0dt01136c","","","0.71073","MoKα","","0.0529","0.0363","","","0.0903","0.1049","","","","","","1.04","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014771","11.33","0.006","6.557","0.003","11.33","0.006","90","","110.84","","90","","786.6","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cobalt-Manganese carboxylate","","","- C18 H6 Co Mn2 N0 O12 -","- C18 H6 Co Mn2 O12 -","- C36 H12 Co2 Mn4 O24 -","2","0.5","","Mahata, Partha; Sarma, Debajit; Madhu, C.; Sundaresen, A.; Natarajan, Srinivasan","CoMn(2)O(4) spinel from a MOF: synthesis, structure and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1952","1960","10.1039/c0dt01137a","","","0.71073","MoKα","","0.112","0.0591","","","0.111","0.1256","","","","","","0.944","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014772","9.1437","0.0007","16.5084","0.001","26.4142","0.0017","90","","101.367","0.002","90","","3909","0.5","173","0.2","173","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Cr F Mn N2 O19 -","- C35 H37 Cr F Mn N2 O19 -","- C140 H148 Cr4 F4 Mn4 N8 O76 -","4","1","","Endo, Toru; Akutagawa, Tomoyuki; Noro, Shin-ichiro; Nakamura, Takayoshi","Supramolecular cations of the m-fluoroanilinium(dibenzo[18]crown-6) in ferromagnetic salt.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1491","1496","10.1039/c0dt01140a","","","0.71075","MoKα","","","0.0501","","","","0.0769","","","","","","1.176","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014773","14.0305","0.0006","17.8271","0.0007","21.7559","0.0008","66.035","0.002","71.542","0.003","80.82","0.003","4713.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H110 B2 Cl2 N14 P2 Ru2 -","- C92 H110 B2 Cl2 N14 P2 Ru2 -","- C184 H220 B4 Cl4 N28 P4 Ru4 -","2","1","","Tsoureas, Nikolaos; Nunn, Joshua; Bevis, Thomas; Haddow, Mairi F.; Hamilton, Alex; Owen, Gareth R.","Strong agostic-type interactions in ruthenium benzylidene complexes containing 7-azaindole based scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","951","958","10.1039/c0dt01148g","","","0.71073","MoKα","","0.1368","0.0839","","","0.225","0.2526","","","","","","0.949","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014774","12.6383","0.0013","12.9075","0.0013","13.6888","0.0015","83.13","0.007","83.887","0.007","81.991","0.007","2186.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H55 B Cl N6 P Ru -","- C46 H55 B Cl N6 P Ru -","- C92 H110 B2 Cl2 N12 P2 Ru2 -","2","1","","Tsoureas, Nikolaos; Nunn, Joshua; Bevis, Thomas; Haddow, Mairi F.; Hamilton, Alex; Owen, Gareth R.","Strong agostic-type interactions in ruthenium benzylidene complexes containing 7-azaindole based scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","951","958","10.1039/c0dt01148g","","","0.71073","MoKα","","0.0726","0.0498","","","0.1116","0.1216","","","","","","0.945","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014775","11.1108","0.0004","20.4596","0.0008","20.6296","0.0008","111.67","0.002","99.766","0.002","102.853","0.002","4081.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H55 B Cl N4 P Ru -","- C45 H55 B Cl N4 P Ru -","- C180 H220 B4 Cl4 N16 P4 Ru4 -","4","2","","Tsoureas, Nikolaos; Nunn, Joshua; Bevis, Thomas; Haddow, Mairi F.; Hamilton, Alex; Owen, Gareth R.","Strong agostic-type interactions in ruthenium benzylidene complexes containing 7-azaindole based scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","951","958","10.1039/c0dt01148g","","","0.71073","MoKα","","0.0586","0.0386","","","0.0852","0.0941","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014776","17.0169","0.0004","20.4376","0.0005","21.4837","0.0005","90","","90","","90","","7471.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42.5 H51 B Cl N6 P Ru -","- C42.5 H51 B Cl N6 P Ru -","- C340 H408 B8 Cl8 N48 P8 Ru8 -","8","2","","Tsoureas, Nikolaos; Nunn, Joshua; Bevis, Thomas; Haddow, Mairi F.; Hamilton, Alex; Owen, Gareth R.","Strong agostic-type interactions in ruthenium benzylidene complexes containing 7-azaindole based scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","951","958","10.1039/c0dt01148g","","","0.71073","MoKα","","0.0696","0.0466","","","0.0905","0.1007","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014777","10.8012","0.0019","19.746","0.004","15.23","0.003","90","","90","","90","","3248.3","1.1","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","[CNC-i-Pr]PdI (7a)","","","- C36 H38 I N5 Pd -","- C24 H26 I N5 Pd -","- C96 H104 I4 N20 Pd4 -","4","0.5","","Cross, Warren B.; Daly, Christopher G.; Ackerman, Rachel L.; George, Ian R.; Singh, Kuldip","N-heterocyclic carbene tethered amido complexes of palladium and platinum.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","495","505","10.1039/c0dt01149e","","","0.71073","MoKα","","0.0277","0.026","","","0.0661","0.0667","","","","","","1.064","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014778","29.37","0.005","20.178","0.003","10.3042","0.0017","90","","90","","90","","6106.6","1.7","150","2","150","2","","","","","","","","5","A b a 2","A 2 -2ab","41","[CNC-n-Bu]PdI (7b)","","","- C32 H36 I N5 Pd -","- C32 H36 I N5 Pd -","- C256 H288 I8 N40 Pd8 -","8","","","Cross, Warren B.; Daly, Christopher G.; Ackerman, Rachel L.; George, Ian R.; Singh, Kuldip","N-heterocyclic carbene tethered amido complexes of palladium and platinum.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","495","505","10.1039/c0dt01149e","","","0.71073","MoKα","","0.0594","0.0457","","","0.0751","0.079","","","","","","0.934","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014779","10.372","0.004","11.933","0.005","26.284","0.011","101.593","0.01","94.15","0.009","95.257","0.01","3160","2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","{[CNC-i-Pr]Pdpy}OTf (9a)","","","- C30.75 H32.5 Cl1.5 F3 N6 O3 Pd S -","- C30 H31 F3 N6 O3 Pd S -","- C120 H124 F12 N24 O12 Pd4 S4 -","4","2","","Cross, Warren B.; Daly, Christopher G.; Ackerman, Rachel L.; George, Ian R.; Singh, Kuldip","N-heterocyclic carbene tethered amido complexes of palladium and platinum.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","495","505","10.1039/c0dt01149e","","","0.71073","MoKα","","0.1872","0.091","","","0.1639","0.1958","","","","","","0.795","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014780","13.616","0.009","15.293","0.01","18.724","0.013","73.804","0.012","73.014","0.012","64.088","0.012","3302","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[C,NH]PdI2py (10)","","","- C31 H40.5 Cl I2 N4 Pd -","- C29 H36 I2 N4 Pd -","- C116 H144 I8 N16 Pd4 -","4","2","","Cross, Warren B.; Daly, Christopher G.; Ackerman, Rachel L.; George, Ian R.; Singh, Kuldip","N-heterocyclic carbene tethered amido complexes of palladium and platinum.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","495","505","10.1039/c0dt01149e","","","0.71073","MoKα","","0.0825","0.0589","","","0.1341","0.1428","","","","","","0.952","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014781","13.412","0.003","15.242","0.003","18.357","0.004","95.858","0.004","104.069","0.004","114.812","0.004","3214.1","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[C,NH]PtI2py (11)","","","- C29 H36 I2 N4 Pt -","- C29 H36 I2 N4 Pt -","- C116 H144 I8 N16 Pt4 -","4","2","","Cross, Warren B.; Daly, Christopher G.; Ackerman, Rachel L.; George, Ian R.; Singh, Kuldip","N-heterocyclic carbene tethered amido complexes of palladium and platinum.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","495","505","10.1039/c0dt01149e","","","0.71073","MoKα","","0.1104","0.0602","","","0.1004","0.113","","","","","","0.897","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014782","19.443","0.002","19.443","0.002","25.426","0.004","90","","90","","90","","9612","2","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","{[C,N]Pd(mu-OH)}2 (12)","","","- C53 H74 N6 O2 Pd2 -","- C48 H62 N6 O2 Pd2 -","- C384 H496 N48 O16 Pd16 -","8","0.5","","Cross, Warren B.; Daly, Christopher G.; Ackerman, Rachel L.; George, Ian R.; Singh, Kuldip","N-heterocyclic carbene tethered amido complexes of palladium and platinum.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","495","505","10.1039/c0dt01149e","","","0.71073","MoKα","","0.0497","0.0378","","","0.0914","0.096","","","","","","1.029","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014783","23.3121","0.001","9.3925","0.0004","27.8933","0.0015","90","","90","","90","","6107.5","0.5","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C34 H33 Br Cl2 P2 W -","- C34 H33 Br Cl2 P2 W -","- C272 H264 Br8 Cl16 P16 W8 -","8","1","","Lancashire, Hannah N.; Brown, Neil J.; Carthy, Laura; Collison, David; Fitzgerald, Emma C.; Edge, Ruth; Helliwell, Madeleine; Holden, Mark; Low, Paul J.; McDouall, Joseph J. W.; Whiteley, Mark W.","Synthesis, spectroscopy and electronic structure of the vinylidene and alkynyl complexes [W(C=CHR)(dppe)(η-C₇H₇)](+) and [W(C≡CR)(dppe)(η-C₇H₇](n+) (n = 0 or 1).","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1267","1278","10.1039/c0dt01150a","","","0.71069","MoKα","","0.1054","0.0731","","","0.2154","0.2322","","","","","","1.083","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014784","33.25","0.005","12.061","0.005","18.645","0.005","90","0.005","104.641","0.005","90","0.005","7234","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 F6 P3 W -","- C41 H37 F6 P3 W -","- C328 H296 F48 P24 W8 -","8","2","","Lancashire, Hannah N.; Brown, Neil J.; Carthy, Laura; Collison, David; Fitzgerald, Emma C.; Edge, Ruth; Helliwell, Madeleine; Holden, Mark; Low, Paul J.; McDouall, Joseph J. W.; Whiteley, Mark W.","Synthesis, spectroscopy and electronic structure of the vinylidene and alkynyl complexes [W(C=CHR)(dppe)(η-C₇H₇)](+) and [W(C≡CR)(dppe)(η-C₇H₇](n+) (n = 0 or 1).","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1267","1278","10.1039/c0dt01150a","","","0.71069","MoKα","","0.088","0.0512","","","0.0954","0.1113","","","","","","1.011","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014785","30.276","0.005","8.8492","0.0011","19.47","0.003","90","","113.26","0.003","90","","4792.4","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Cu N2 O4 S6 -","- C20 H14 Cu N2 O4 S6 -","- C160 H112 Cu8 N16 O32 S48 -","8","1","","Zhu, Qin-Yu; Wang, Jin-Po; Qin, Yu-Rong; Shi, Zheng; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Metal-carboxylate coordination polymers with redox-active moiety of tetrathiafulvalene (TTF).","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1977","1983","10.1039/c0dt01152e","","","0.71075","MoKα","","0.1032","0.0824","","","0.1831","0.1968","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014786","27.153","0.004","10.4726","0.0019","16.681","0.003","90","","103.026","0.005","90","","4621.4","1.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Mn N2 O4 S6 -","- C20 H14 Mn N2 O4 S6 -","- C160 H112 Mn8 N16 O32 S48 -","8","1","","Zhu, Qin-Yu; Wang, Jin-Po; Qin, Yu-Rong; Shi, Zheng; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Metal-carboxylate coordination polymers with redox-active moiety of tetrathiafulvalene (TTF).","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1977","1983","10.1039/c0dt01152e","","","0.71075","MoKα","","0.0569","0.0411","","","0.0763","0.0828","","","","","","1.013","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014787","10.2322","0.0007","11.9875","0.0008","12.0255","0.0009","78.587","0.005","81.446","0.005","73.947","0.004","1382.54","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Mn N3 O5 S6 -","- C22 H14 Mn N3 O5 S6 -","- C44 H28 Mn2 N6 O10 S12 -","2","1","","Zhu, Qin-Yu; Wang, Jin-Po; Qin, Yu-Rong; Shi, Zheng; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Metal-carboxylate coordination polymers with redox-active moiety of tetrathiafulvalene (TTF).","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1977","1983","10.1039/c0dt01152e","","","0.71075","MoKα","","0.0647","0.0519","","","0.1524","0.1654","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014788","10.1856","0.0009","11.8627","0.0009","12.0826","0.0012","78.587","0.009","80.8","0.009","73.103","0.008","1361.1","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 N3 O5 S6 Zn -","- C22 H8 N3 O5 S6 Zn -","- C44 H16 N6 O10 S12 Zn2 -","2","1","","Zhu, Qin-Yu; Wang, Jin-Po; Qin, Yu-Rong; Shi, Zheng; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie","Metal-carboxylate coordination polymers with redox-active moiety of tetrathiafulvalene (TTF).","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1977","1983","10.1039/c0dt01152e","","","0.71075","MoKα","","0.0778","0.0564","","","0.1393","0.1549","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014789","6.0834","0.0005","12.8715","0.0011","13.5851","0.0012","101.212","0.003","91.969","0.003","97.795","0.002","1031.78","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Ag2 N4 O6 -","- C21 H22 Ag2 N4 O6 -","- C42 H44 Ag4 N8 O12 -","2","1","","Deng, Zhao-Peng; Huo, Li-Hua; Xu, Hui; Zhao, Hui; Ng, Seik Weng; Gao, Shan","The first metal-organic framework containing an unprecedented in situ-generated C-substituted hexamethylenetetramine ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1224","1226","10.1039/c0dt01153c","","","0.71073","MoKα","","0.0978","0.0697","","","0.187","0.2196","","","","","","1.094","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014790","8.6678","0.0014","9.4087","0.0015","13.727","0.002","77.734","0.003","87.897","0.004","87.815","0.004","1092.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N2 P S2 -","- C25 H21 N2 P S2 -","- C50 H42 N4 P2 S4 -","2","1","","Aleksanyan, D. V.; Kozlov, V. A.; Nelyubina, Y. V.; Lyssenko, K. A.; Puntus, L. N.; Gutsul, E. I.; Shepel, N. E.; Vasil'ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Synthesis, catalytic activity, and photophysical properties of 5,6-membered Pd and Pt SCS'-pincer complexes based on thiophosphorylated 3-amino(hydroxy)benzoic acid thioanilides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1535","1546","10.1039/c0dt01154a","","","0.71073","MoKα","","0.0473","0.0367","","","0.0864","0.0922","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014791","8.5061","0.0006","9.2117","0.0007","17.5787","0.0013","101.584","0.002","94.219","0.001","90.813","0.001","1345.09","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H26 Cl N2 O P Pd S3 -","- C27 H26 Cl N2 O P Pd S3 -","- C54 H52 Cl2 N4 O2 P2 Pd2 S6 -","2","1","","Aleksanyan, D. V.; Kozlov, V. A.; Nelyubina, Y. V.; Lyssenko, K. A.; Puntus, L. N.; Gutsul, E. I.; Shepel, N. E.; Vasil'ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Synthesis, catalytic activity, and photophysical properties of 5,6-membered Pd and Pt SCS'-pincer complexes based on thiophosphorylated 3-amino(hydroxy)benzoic acid thioanilides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1535","1546","10.1039/c0dt01154a","","","0.71073","MoKα","","0.0344","0.0268","","","0.0533","0.0551","","","","","","1.004","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014792","13.7874","0.001","9.621","0.0007","21.4447","0.0015","90","","107.12","0.001","90","","2718.6","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl N O2 P Pd S3 -","- C27 H25 Cl N O2 P Pd S3 -","- C108 H100 Cl4 N4 O8 P4 Pd4 S12 -","4","2","","Aleksanyan, D. V.; Kozlov, V. A.; Nelyubina, Y. V.; Lyssenko, K. A.; Puntus, L. N.; Gutsul, E. I.; Shepel, N. E.; Vasil'ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Synthesis, catalytic activity, and photophysical properties of 5,6-membered Pd and Pt SCS'-pincer complexes based on thiophosphorylated 3-amino(hydroxy)benzoic acid thioanilides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1535","1546","10.1039/c0dt01154a","","","0.71073","MoKα","","0.0321","0.027","","","0.0445","0.0457","","","","","","1","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014793","13.7922","0.0009","9.6927","0.0006","21.3471","0.0013","90","","107.334","0.001","90","","2724.2","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl N O2 P Pt S3 -","- C27 H25 Cl N O2 P Pt S3 -","- C108 H100 Cl4 N4 O8 P4 Pt4 S12 -","4","2","","Aleksanyan, D. V.; Kozlov, V. A.; Nelyubina, Y. V.; Lyssenko, K. A.; Puntus, L. N.; Gutsul, E. I.; Shepel, N. E.; Vasil'ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Synthesis, catalytic activity, and photophysical properties of 5,6-membered Pd and Pt SCS'-pincer complexes based on thiophosphorylated 3-amino(hydroxy)benzoic acid thioanilides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1535","1546","10.1039/c0dt01154a","","","0.71073","MoKα","","0.0283","0.0259","","","0.0568","0.0577","","","","","","1.01","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014794","13.8148","0.0012","13.8148","0.0012","10.0926","0.0009","90","","90","","90","","1926.2","0.3","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C36 H39 Cl Mo N9 O7 -","- C36 H25 Cl Mo N9 O7 -","- C72 H50 Cl2 Mo2 N18 O14 -","2","0.25","","Darwish, Wael; Seikel, Elisabeth; Harms, Klaus; Burghaus, Olaf; Sundermeyer, Jörg","Synthetic, spectroscopic, and structural studies on organoimido molybdenum, tungsten, and rhenium phthalocyanines.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1183","1188","10.1039/c0dt01166e","","","0.71073","MoKα","","0.0672","0.0497","","","0.093","0.0978","","","","","","1.1","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014795","9.2095","0.0005","9.6233","0.0004","15.0245","0.0006","106.432","0.004","96.593","0.004","100.039","0.004","1238.48","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 Au2 F6 N4 O6 P2 S2 -","- C48 H38 Au2 F6 N4 O6 P2 S2 -","- C48 H38 Au2 F6 N4 O6 P2 S2 -","1","0.5","","Bardají, Manuel; Barrio, Mónica; Espinet, Pablo","Photosensitive azobispyridine gold(i) and silver(i) complexes","Dalton Transactions","2011","40","11","2570","","10.1039/c0dt01167c","","","0.71073","MoKα","","0.0605","0.0392","","","0.0786","0.0833","","","","","","0.953","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014796","25.1997","0.0011","8.7245","0.0004","7.2138","0.0003","90","","103.326","0.004","90","","1543.28","0.12","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C18 H26 Au2 F6 N4 O6 P2 S2 -","- C18 H26 Au2 F6 N4 O6 P2 S2 -","- C36 H52 Au4 F12 N8 O12 P4 S4 -","2","0.25","","Bardají, Manuel; Barrio, Mónica; Espinet, Pablo","Photosensitive azobispyridine gold(i) and silver(i) complexes","Dalton Transactions","2011","40","11","2570","","10.1039/c0dt01167c","","","0.71073","MoKα","","0.0696","0.0543","","","0.1305","0.1379","","","","","","0.987","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014797","9.362","0.006","10.197","0.006","14.119","0.009","101.554","0.011","103.206","0.011","93.791","0.012","1276.8","1.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 Ag2 F6 N4 O6 P2 S2 -","- C48 H38 Ag2 F6 N4 O6 P2 S2 -","- C48 H38 Ag2 F6 N4 O6 P2 S2 -","1","0.5","","Bardají, Manuel; Barrio, Mónica; Espinet, Pablo","Photosensitive azobispyridine gold(i) and silver(i) complexes","Dalton Transactions","2011","40","11","2570","","10.1039/c0dt01167c","","","0.71073","MoKα","","0.1411","0.0576","","","0.1257","0.1621","","","","","","0.959","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014798","13.9256","0.0011","16.5884","0.0013","15.977","0.0013","77.524","0.003","66.951","0.003","82.563","0.004","3311.8","0.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H57 F12 N5 O8 P4 Pd2 -","- C58 H54 F12 N5 O8 P4 Pd2 -","- C116 H108 F24 N10 O16 P8 Pd4 -","2","1","","Murahashi, Tetsuro; Okuno, Taketoshi; Usui, Kentaro; Takase, Kohei; Otani, Toshiaki; Ogoshi, Sensuke; Kurosawa, Hideo","Formation and coordination modes of the C(4)E(4) moiety (E = COOMe) bound to two palladium(ii) moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2383","2387","10.1039/c0dt01169j","","","0.71069","MoKα","","","0.0834","","","","0.0948","","","","","","0.918","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014799","10.6712","0.0003","34.5967","0.001","21.6698","0.0005","90","","100.015","0.0008","90","","7878.3","0.4","296","","296","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 B2 F8 N8 O8 P2 Pd2 -","- C80 H70 B2 F8 N8 O8 P2 Pd2 -","- C320 H280 B8 F32 N32 O32 P8 Pd8 -","4","1","","Murahashi, Tetsuro; Okuno, Taketoshi; Usui, Kentaro; Takase, Kohei; Otani, Toshiaki; Ogoshi, Sensuke; Kurosawa, Hideo","Formation and coordination modes of the C(4)E(4) moiety (E = COOMe) bound to two palladium(ii) moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2383","2387","10.1039/c0dt01169j","","","0.71069","MoKα","","","0.0417","","","","0.0491","","","","","","1.001","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014800","7.9196","0.0007","9.5097","0.001","10.0744","0.0011","91.711","0.009","90.001","0.008","111.22","0.009","706.93","0.13","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cu N4 O2 S -","- C13 H14 Cu N4 O2 S -","- C26 H28 Cu2 N8 O4 S2 -","2","1","","Hickey, James L.; Crouch, Peter J.; Mey, Sithorn; Caragounis, Aphrodite; White, Jonathan M.; White, Anthony R.; Donnelly, Paul S.","Copper(II) complexes of hybrid hydroxyquinoline-thiosemicarbazone ligands: GSK3β inhibition due to intracellular delivery of copper.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1338","1347","10.1039/c0dt01176b","","","1.54184","CuKα","","0.0639","0.0488","","","0.1339","0.1599","","","","","","1.144","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014801","10.3943","0.0012","7.0021","0.0008","16.77","0.002","90","","98.544","0.002","90","","1207","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 O S -","- C12 H12 N4 O S -","- C48 H48 N16 O4 S4 -","4","1","","Hickey, James L.; Crouch, Peter J.; Mey, Sithorn; Caragounis, Aphrodite; White, Jonathan M.; White, Anthony R.; Donnelly, Paul S.","Copper(II) complexes of hybrid hydroxyquinoline-thiosemicarbazone ligands: GSK3β inhibition due to intracellular delivery of copper.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1338","1347","10.1039/c0dt01176b","","","0.71073","MoKα","","0.0474","0.0388","","","0.0949","0.0984","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014802","4.0657","0.0002","14.7702","0.0008","26.2659","0.0011","90","","90","","90","","1577.3","0.13","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cu N4 O2 S -","- C17 H14 Cu N4 O2 S -","- C68 H56 Cu4 N16 O8 S4 -","4","1","","Hickey, James L.; Crouch, Peter J.; Mey, Sithorn; Caragounis, Aphrodite; White, Jonathan M.; White, Anthony R.; Donnelly, Paul S.","Copper(II) complexes of hybrid hydroxyquinoline-thiosemicarbazone ligands: GSK3β inhibition due to intracellular delivery of copper.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1338","1347","10.1039/c0dt01176b","","","1.54184","CuKα","","0.0526","0.0452","","","0.1038","0.1067","","","","","","1.024","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014803","11.7432","0.0004","12.4966","0.0004","13.3411","0.0005","79.341","0.002","66.71","0.002","65.127","0.002","1631.06","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N3 P -","- C19 H16 N3 P -","- C76 H64 N12 P4 -","4","2","","Ballesteros-Garrido, Rafael; Bonnafoux, Laurence; Blanco, Fernando; Ballesteros, Rafael; Leroux, Frédéric R; Abarca, Belén; Colobert, Françoise; Alkorta, Ibon; Elguero, José","[1,2,3]Triazolo[1,5-a]pyridyl phosphines reflecting the influence of phosphorus lone pair orientation on spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1387","1395","10.1039/c0dt01183e","","","0.71073","MoKα","","0.0908","0.0497","","","0.1259","0.1705","","","","","","1.071","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014804","9.4104","0.0005","16.0595","0.001","10.0214","0.0005","90","","99.277","0.003","90","","1494.69","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N3 P -","- C18 H14 N3 P -","- C72 H56 N12 P4 -","4","1","","Ballesteros-Garrido, Rafael; Bonnafoux, Laurence; Blanco, Fernando; Ballesteros, Rafael; Leroux, Frédéric R; Abarca, Belén; Colobert, Françoise; Alkorta, Ibon; Elguero, José","[1,2,3]Triazolo[1,5-a]pyridyl phosphines reflecting the influence of phosphorus lone pair orientation on spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1387","1395","10.1039/c0dt01183e","","","0.71073","MoKα","","0.0834","0.057","","","0.1403","0.172","","","","","","1.15","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014805","6.0164","0.0002","28.2297","0.0013","11.5981","0.0005","90","","105.641","0.002","90","","1896.89","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N3 P -","- C24 H18 N3 P -","- C96 H72 N12 P4 -","4","1","","Ballesteros-Garrido, Rafael; Bonnafoux, Laurence; Blanco, Fernando; Ballesteros, Rafael; Leroux, Frédéric R; Abarca, Belén; Colobert, Françoise; Alkorta, Ibon; Elguero, José","[1,2,3]Triazolo[1,5-a]pyridyl phosphines reflecting the influence of phosphorus lone pair orientation on spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1387","1395","10.1039/c0dt01183e","","","0.71073","MoKα","","0.1177","0.0651","","","0.1647","0.201","","","","","","1.14","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014806","11.1873","0.0007","11.4055","0.0007","16.9232","0.0008","100.619","0.003","90.506","0.003","119.238","0.002","1839.63","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H28 N3 P -","- C19 H28 N3 P -","- C76 H112 N12 P4 -","4","2","","Ballesteros-Garrido, Rafael; Bonnafoux, Laurence; Blanco, Fernando; Ballesteros, Rafael; Leroux, Frédéric R; Abarca, Belén; Colobert, Françoise; Alkorta, Ibon; Elguero, José","[1,2,3]Triazolo[1,5-a]pyridyl phosphines reflecting the influence of phosphorus lone pair orientation on spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1387","1395","10.1039/c0dt01183e","","","0.71073","MoKα","","0.16","0.0714","","","0.1652","0.2208","","","","","","1.052","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014807","15.9046","0.001","11.0103","0.0005","10.0953","0.0007","90","","91.701","0.003","90","","1767.05","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N3 P -","- C18 H26 N3 P -","- C72 H104 N12 P4 -","4","1","","Ballesteros-Garrido, Rafael; Bonnafoux, Laurence; Blanco, Fernando; Ballesteros, Rafael; Leroux, Frédéric R; Abarca, Belén; Colobert, Françoise; Alkorta, Ibon; Elguero, José","[1,2,3]Triazolo[1,5-a]pyridyl phosphines reflecting the influence of phosphorus lone pair orientation on spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1387","1395","10.1039/c0dt01183e","","","0.71073","MoKα","","0.111","0.0823","","","0.2321","0.2527","","","","","","1.17","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014808","9.3421","0.0002","23.3274","0.0005","13.6888","0.0004","90","","104.304","0.002","90","","2890.68","0.12","95","2","95","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H71 Co K N7 O11 -","- C60 H71 Co K N7 O11 -","- C120 H142 Co2 K2 N14 O22 -","2","1","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.0584","0.046","","","0.0904","0.0932","","","","","","0.976","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014809","15.5438","0.001","13.1192","0.0009","26.7367","0.0017","90","","99.309","0.003","90","","5380.4","0.6","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H66 Fe K N6 O10 -","- C58 H66 Fe K N6 O10 -","- C232 H264 Fe4 K4 N24 O40 -","4","2","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.1895","0.0922","","","0.141","0.1766","","","","","","1.136","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014810","9.8734","0.0002","17.1654","0.0003","12.484","0.0002","90","","95.238","0.002","90","","2106.96","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H46 Co K N6 O5 -","- C47 H46 Co K N6 O5 -","- C94 H92 Co2 K2 N12 O10 -","2","1","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.0505","0.035","","","0.0723","0.0748","","","","","","0.942","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014811","10.5953","0.0002","16.0147","0.0002","11.11937","0.00018","90","","106.568","0.0019","90","","1808.41","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H48 Co K N6 O11 -","- C30 H48 Co K N6 O11 -","- C60 H96 Co2 K2 N12 O22 -","2","1","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.0378","0.0336","","","0.0793","0.0803","","","","","","1.006","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014812","15.868","0.0008","10.5601","0.0004","15.6312","0.0007","90","","109.222","0.005","90","","2473.3","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H46 Co N6 O4 S4 -","- C52 H46 Co N6 O4 S4 -","- C104 H92 Co2 N12 O8 S8 -","2","0.5","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","0.71073","MoKα","","0.0658","0.0405","","","0.066","0.0695","","","","","","0.888","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014813","9.5854","0.0001","25.4527","0.0003","9.7448","0.0001","90","","113.302","0.002","90","","2183.56","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 Co N6 O10 S4 -","- C40 H54 Co N6 O10 S4 -","- C80 H108 Co2 N12 O20 S8 -","2","1","","Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter","TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1722","1731","10.1039/c0dt01184c","","","1.54178","CuKα","","0.0319","0.0304","","","0.0802","0.0808","","","","","","1.093","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014814","27.5792","0.0009","27.5792","0.0009","27.5792","0.0009","90","","90","","90","","20977.1","1.2","90","","90","","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C66 H145 N6 O37 P S4 Si4 W9 -","- C65.98 H135 N6 O37 P S3.99 Si4 W9 -","- C527.84 H1080 N48 O296 P8 S31.92 Si32 W72 -","8","0.333333","","Aoki, Shotaro; Kurashina, Takayuki; Kasahara, Yuhki; Nishijima, Tadashi; Nomiya, Kenji","Polyoxometalate (POM)-based, multi-functional, inorganic-organic, hybrid compounds: syntheses and molecular structures of silanol- and/or siloxane bond-containing species grafted on mono- and tri-lacunary Keggin POMs.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1243","1253","10.1039/c0dt01185a","","","0.71073","MoKα","","0.0331","0.0277","","","0.0701","0.0735","","","","","","1.177","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014815","12.856","0.002","21.702","0.004","24.359","0.005","90","","101.684","0.004","90","","6655","2","90","","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H74 N3 O40 P S2 Si2 W11 -","- C30 H12 N3 O40 P S2 Si2 W11 -","- C120 H48 N12 O160 P4 S8 Si8 W44 -","4","1","","Aoki, Shotaro; Kurashina, Takayuki; Kasahara, Yuhki; Nishijima, Tadashi; Nomiya, Kenji","Polyoxometalate (POM)-based, multi-functional, inorganic-organic, hybrid compounds: syntheses and molecular structures of silanol- and/or siloxane bond-containing species grafted on mono- and tri-lacunary Keggin POMs.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1243","1253","10.1039/c0dt01185a","","","0.71073","MoKα","","0.0666","0.053","","","0.1146","0.1225","","","","","","1.046","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014816","13.222","0.003","25.914","0.005","19.506","0.004","90","","107.11","0.03","90","","6388","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 B Br N10 Ni2 O13 -","- C62 H58 B Br N10 Ni2 O13 -","- C248 H232 B4 Br4 N40 Ni8 O52 -","4","1","","Ren, Yan-wei; Lu, Jia-xian; Cai, Bo-wei; Shi, Da-bin; Jiang, Huan-feng; Chen, Jun; Zheng, De; Liu, Bin","A novel asymmetric di-Ni(II) system as a highly efficient functional model for phosphodiesterase: synthesis, structures, physicochemical properties and catalytic kinetics.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1372","1381","10.1039/c0dt01194k","","","0.71073","MoKα","","0.1333","0.065","","","0.1705","0.2095","","","","","","1.013","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014817","14.913","0.003","15.245","0.003","15.72","0.003","93.31","0.03","99.98","0.03","90.46","0.03","3513.4","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H71 B Br N6 Ni2 O9 P2 -","- C72 H71 B Br N6 Ni2 O9 P2 -","- C144 H142 B2 Br2 N12 Ni4 O18 P4 -","2","1","","Ren, Yan-wei; Lu, Jia-xian; Cai, Bo-wei; Shi, Da-bin; Jiang, Huan-feng; Chen, Jun; Zheng, De; Liu, Bin","A novel asymmetric di-Ni(II) system as a highly efficient functional model for phosphodiesterase: synthesis, structures, physicochemical properties and catalytic kinetics.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1372","1381","10.1039/c0dt01194k","","","0.71073","MoKα","","0.245","0.0942","","","0.2153","0.2942","","","","","","1.054","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014818","33.355","0.003","72.867","0.007","12.9923","0.0015","90","","90","","90","","31578","6","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C92 H78 Eu N14 -","- C92 H78 Eu N14 -","- C1472 H1248 Eu16 N224 -","16","1","","Wu, Xingcui; Lv, Wei; Wang, Quanbo; Wang, Hailong; Zhang, Xiaomei; Jiang, Jianzhuang","Sandwich-type mixed (phthalocyaninato)(porphyrinato) rare earth double-decker complexes with decreased molecular symmetry of Cs: single crystal structure and self-assembled nano-structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","107","113","10.1039/c0dt01200a","","","0.71073","MoKα","","0.1209","0.0817","","","0.2033","0.2369","","","","","","1.035","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014819","8.2737","0.0008","8.2737","0.0008","13.4002","0.0013","90","","90","","120","","794.4","0.13","293","2","293","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","","","- C4 H22.4 Cu K N4 O11.2 Zn -","- C4 Cu N4 Zn -","- C8 Cu2 N8 Zn2 -","2","0.166667","","Dan, Hiroki; Nishikiori, Shin-ichi; Yamamuro, Osamu","Tridymite-like host clathrate [K(H2O)n][CuZn(CN)4]: crystal structure, guest molecular motion and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1168","1174","10.1039/c0dt01201g","","","0.710747","MoKα","","","0.049","","","","0.151","","","","","","1.044","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014820","20.844","0.005","20.201","0.005","11.54","0.003","90","","114.492","0.005","90","","4421.9","1.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 O19 Zn3 -","- C42 H58 O19 Zn3 -","- C168 H232 O76 Zn12 -","4","0.5","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.0841","0.0557","","","0.1535","0.1761","","","","","","1.038","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014821","22.602","0.005","14.062","0.003","11.233","0.002","90","","113.45","0.003","90","","3275.3","1.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 N O4 Zn -","- C19 H22 N O4 Zn -","- C152 H176 N8 O32 Zn8 -","8","1","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.0556","0.0366","","","0.0868","0.0919","","","","","","1.003","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014822","11.617","0.004","10.67","0.004","15.83","0.006","90","","108.996","0.006","90","","1855.3","1.2","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C40 H48 N2 O8 Zn2 -","- C40 H48 N2 O8 Zn2 -","- C80 H96 N4 O16 Zn4 -","2","1","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.0769","0.0519","","","0.1266","0.1579","","","","","","0.966","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014823","11.751","0.007","12.311","0.007","14.001","0.014","103.871","0.014","104.149","0.015","103.195","0.01","1816","2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N2 O8 Zn2 -","- C40 H48 N2 O8 Zn2 -","- C80 H96 N4 O16 Zn4 -","2","1","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.185","0.081","","","0.129","0.1506","","","","","","1.011","","","","has coordinates","134499","2020-10-21","18:00:00",""
"7014824","11.7872","0.0015","12.1029","0.0015","14.0397","0.0017","101.69","0.002","105.584","0.002","103.652","0.002","1797.4","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50 N2 O8 Zn2 -","- C41 H50 N2 O8 Zn2 -","- C82 H100 N4 O16 Zn4 -","2","1","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.0769","0.0426","","","0.0858","0.0976","","","","","","1.018","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014825","32.433","0.002","6.955","0.0004","16.9017","0.0011","90","","116.532","0.001","90","","3411","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Cd N2 O8 -","- C38 H46 Cd N2 O8 -","- C152 H184 Cd4 N8 O32 -","4","0.5","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.0453","0.042","","","0.1104","0.1122","","","","","","1.048","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014826","12.0525","0.0007","13.6256","0.0008","22.0015","0.0013","94.677","0.001","103.59","0.001","114.418","0.001","3132","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H84 Cd3 N4 O14 -","- C67 H84 Cd3 N4 O14 -","- C134 H168 Cd6 N8 O28 -","2","1","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.0621","0.0408","","","0.101","0.107","","","","","","1.023","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014827","13.1885","0.0011","18.1129","0.0015","24.841","0.002","90","","90","","90","","5934.1","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H78 Cd2 N4 O15 -","- C54 H64 Cd2 N4 O15 -","- C216 H256 Cd8 N16 O60 -","4","1","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.1039","0.068","","","0.1757","0.2027","","","","","","1.068","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014828","14.338","0.003","14.612","0.003","15.122","0.003","90","","103.05","0.03","90","","3086.3","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H58 Al2 N4 O2 -","- C48 H58 Al2 N4 O2 -","- C96 H116 Al4 N8 O4 -","2","1","","Sun, Wen-Hua; Shen, Miao; Zhang, Wenjuan; Huang, Wei; Liu, Shaofeng; Redshaw, Carl","Methylaluminium 8-quinolinolates: synthesis, characterization and use in ring-opening polymerization (ROP) of ε-caprolactone","Dalton Transactions","2011","40","11","2645","","10.1039/c0dt01207f","","","0.71073","MoKα","","0.1245","0.0939","","","0.2406","0.2637","","","","","","0.985","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014829","14.043","0.003","9.4295","0.0019","15.913","0.003","90","","110.56","0.03","90","","1973","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Al N2 O -","- C22 H25 Al N2 O -","- C88 H100 Al4 N8 O4 -","4","1","","Sun, Wen-Hua; Shen, Miao; Zhang, Wenjuan; Huang, Wei; Liu, Shaofeng; Redshaw, Carl","Methylaluminium 8-quinolinolates: synthesis, characterization and use in ring-opening polymerization (ROP) of ε-caprolactone","Dalton Transactions","2011","40","11","2645","","10.1039/c0dt01207f","","","0.71073","MoKα","","","0.1086","","","0.195","0.2022","","","","","","1.3","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014830","10.237","0.002","15.701","0.003","14.671","0.003","90","","95.25","0.03","90","","2348.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Al N2 O -","- C26 H33 Al N2 O -","- C104 H132 Al4 N8 O4 -","4","1","","Sun, Wen-Hua; Shen, Miao; Zhang, Wenjuan; Huang, Wei; Liu, Shaofeng; Redshaw, Carl","Methylaluminium 8-quinolinolates: synthesis, characterization and use in ring-opening polymerization (ROP) of ε-caprolactone","Dalton Transactions","2011","40","11","2645","","10.1039/c0dt01207f","","","0.71073","MoKα","","","0.096","","","0.2285","0.2351","","","","","","1.274","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014831","29.76","0.016","12.705","0.007","16.265","0.009","90","","104.699","0.007","90","","5949","6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Al2 N2 O -","- C27 H38 Al2 N2 O -","- C216 H304 Al16 N16 O8 -","8","1","","Sun, Wen-Hua; Shen, Miao; Zhang, Wenjuan; Huang, Wei; Liu, Shaofeng; Redshaw, Carl","Methylaluminium 8-quinolinolates: synthesis, characterization and use in ring-opening polymerization (ROP) of ε-caprolactone","Dalton Transactions","2011","40","11","2645","","10.1039/c0dt01207f","","","0.71073","MoKα","","","0.2014","","","0.4507","0.4917","","","","","","1.383","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014832","9.664","0.005","12.003","0.007","20.703","0.011","82.101","0.007","89.724","0.007","78.062","0.007","2327","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 F12 N10 Ni P2 -","- C42 H30 F12 N10 Ni P2 -","- C84 H60 F24 N20 Ni2 P4 -","2","1","","Gu, Shaojin; Xu, Daichao; Chen, Wanzhi","Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1576","1583","10.1039/c0dt01211d","","","0.71073","MoKα","","0.2259","0.1227","","","0.3064","0.3393","","","","","","1.048","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014833","11.6398","0.001","13.6787","0.0014","16.929","0.002","81.067","0.002","73.97","0.001","81.18","0.002","2541.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Co F18 N12 P3 -","- C46 H36 Co F18 N11.76 P3 -","- C92 H72 Co2 F36 N23.52 P6 -","2","1","","Gu, Shaojin; Xu, Daichao; Chen, Wanzhi","Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1576","1583","10.1039/c0dt01211d","","","0.71073","MoKα","","0.1497","0.0691","","","0.1637","0.2115","","","","","","1.001","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014834","14.2205","0.0015","10.3577","0.001","15.2229","0.0017","90","","101.391","0.001","90","","2198","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl F6 N5 P Pt -","- C21 H15 Cl F6 N5 P Pt -","- C84 H60 Cl4 F24 N20 P4 Pt4 -","4","1","","Gu, Shaojin; Xu, Daichao; Chen, Wanzhi","Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1576","1583","10.1039/c0dt01211d","","","0.71073","MoKα","","0.0862","0.0561","","","0.1251","0.1348","","","","","","1.055","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014835","20.7545","0.0019","8.1456","0.0014","28.866","0.003","90","","94.547","0.002","90","","4864.7","1.1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Ag F18 N10 P3 Pd -","- C42 H30 Ag F18 N10 P3 Pd -","- C168 H120 Ag4 F72 N40 P12 Pd4 -","4","1","","Gu, Shaojin; Xu, Daichao; Chen, Wanzhi","Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1576","1583","10.1039/c0dt01211d","","","0.71073","MoKα","","0.1376","0.0892","","","0.1738","0.1872","","","","","","1.134","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014836","21.9896","0.0006","13.9782","0.0004","17.6873","0.0004","90","","100.695","0.002","90","","5342.2","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cu F18 N12 P3 Pd -","- C46 H36 Cu F18 N12 P3 Pd -","- C184 H144 Cu4 F72 N48 P12 Pd4 -","4","1","","Gu, Shaojin; Xu, Daichao; Chen, Wanzhi","Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1576","1583","10.1039/c0dt01211d","","","0.71073","MoKα","","0.0875","0.046","","","0.1021","0.1098","","","","","","1.016","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014837","8.308","0.0011","23.423","0.002","26.169","0.003","90","","97.39","0.002","90","","5050.1","1","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 Cl2 F12 N12 O P2 Pd2 -","- C46 H38 Cl2 F12 N12 O P2 Pd2 -","- C184 H152 Cl8 F48 N48 O4 P8 Pd8 -","4","1","","Gu, Shaojin; Xu, Daichao; Chen, Wanzhi","Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1576","1583","10.1039/c0dt01211d","","","0.71073","MoKα","","0.1166","0.0791","","","0.2014","0.236","","","","","","1.074","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014838","19.4562","0.0005","21.1099","0.0006","23.1829","0.0005","114.304","0.0015","107.092","0.0015","94.3568","0.0013","8079.8","0.4","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C112 H109 Co3 F54 N20 O15.5 P9 -","- C112 H102 Co3 F54 N20 O15.5 P9 -","- C224 H204 Co6 F108 N40 O31 P18 -","2","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus","When is a metallopolymer not a metallopolymer? When it is a metallomacrocycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1524","1534","10.1039/c0dt01216e","","","0.71073","MoKα","","0.197","0.0989","","0.2307","0.1074","0.1277","","","","","","1.0818","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014839","13.6827","0.0007","14.7422","0.0006","15.205","0.0007","101.324","0.003","111.052","0.002","110.394","0.003","2495.1","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H90 Co2 F24 N18 O10 P4 -","- C88 H90 Co2 F24 N18 O10 P4 -","- C88 H90 Co2 F24 N18 O10 P4 -","1","0.5","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus","When is a metallopolymer not a metallopolymer? When it is a metallomacrocycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1524","1534","10.1039/c0dt01216e","","","0.71073","MoKα","","0.1579","0.0957","","0.1326","0.0897","0.0897","","","","","","1.028","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014840","5.8461","0.0002","22.5122","0.001","11.6542","0.0005","90","","94.589","0.003","90","","1528.88","0.11","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N6 O4 -","- C36 H32 N6 O4 -","- C72 H64 N12 O8 -","2","0.5","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus","When is a metallopolymer not a metallopolymer? When it is a metallomacrocycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1524","1534","10.1039/c0dt01216e","","","0.71073","MoKα","","0.1786","0.0906","","0.1225","0.0687","0.0687","","","","","","1.0209","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014841","10.9291","0.0002","12.118","0.0002","20.5108","0.0004","85.1137","0.0012","87.2782","0.0011","72.651","0.001","2582.73","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H94 Co2 F30 N14 O14 P5 -","- C88 H94 Co2 F30 N14 O14 P5 -","- C88 H94 Co2 F30 N14 O14 P5 -","1","0.5","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus","When is a metallopolymer not a metallopolymer? When it is a metallomacrocycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1524","1534","10.1039/c0dt01216e","","","0.71073","MoKα","","0.1105","0.0717","","0.1151","0.0836","0.0836","","","","","","1.0897","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014842","9.6391","0.0006","17.224","0.001","18.7747","0.001","71.629","0.002","80.633","0.002","74.851","0.002","2844.4","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H102 Co2 F36 N22 O10 P6 -","- C96 H102 Co2 F36 N22 O10 P6 -","- C96 H102 Co2 F36 N22 O10 P6 -","1","0.5","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus","When is a metallopolymer not a metallopolymer? When it is a metallomacrocycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1524","1534","10.1039/c0dt01216e","","","0.71073","MoKα","","0.0916","0.0663","","0.0989","0.0758","0.0758","","","","","","1.1505","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014843","11.8008","0.0004","20.211","0.0007","24.1339","0.0008","90","","96.66","0.002","90","","5717.2","0.3","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H106 Co2 F36 N18 O14 P6 -","- C96 H106 Co2 F36 N18 O14 P6 -","- C192 H212 Co4 F72 N36 O28 P12 -","2","0.5","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus","When is a metallopolymer not a metallopolymer? When it is a metallomacrocycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1524","1534","10.1039/c0dt01216e","","","0.71073","MoKα","","0.1269","0.0612","","0.1474","0.0626","0.0626","","","","","","1.1142","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014844","6.9046","0.0011","10.4942","0.0017","12.242","0.002","72.367","0.002","87.269","0.002","76.238","0.003","820.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 O7 Pr -","- C13 H21 O7 Pr -","- C26 H42 O14 Pr2 -","2","1","","Wu, Yinglan; Morton, Scott; Kong, Xiangjian; Nichol, Gary S.; Zheng, Zhiping","Hydrolytic synthesis and structural characterization of lanthanide-acetylacetonato/hydroxo cluster complexes‒a systematic study.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1041","1046","10.1039/c0dt01218a","","","0.71073","MoKα","","0.0301","0.026","","","0.0639","0.0661","","","","","","1.058","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014845","14.517","0.002","19.882","0.003","21.19","0.003","90","","90","","90","","6116","1.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46 H78 O24 Sm4 -","- C46 H68 O24 Sm4 -","- C184 H272 O96 Sm16 -","4","1","","Wu, Yinglan; Morton, Scott; Kong, Xiangjian; Nichol, Gary S.; Zheng, Zhiping","Hydrolytic synthesis and structural characterization of lanthanide-acetylacetonato/hydroxo cluster complexes‒a systematic study.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1041","1046","10.1039/c0dt01218a","","","0.71073","MoKα","","0.0747","0.06","","","0.1451","0.1507","","","","","","1.054","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014846","18.8879","0.0009","18.8879","0.0009","15.3095","0.0007","90","","90","","90","","5461.7","0.4","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C80 H129 O46 Tb9 -","- C80 H121 O42 Tb9 -","- C160 H242 O84 Tb18 -","2","0.25","","Wu, Yinglan; Morton, Scott; Kong, Xiangjian; Nichol, Gary S.; Zheng, Zhiping","Hydrolytic synthesis and structural characterization of lanthanide-acetylacetonato/hydroxo cluster complexes‒a systematic study.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1041","1046","10.1039/c0dt01218a","","","0.71073","MoKα","","0.0553","0.0302","","","0.0578","0.0619","","","","","","0.98","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014847","9.9972","0.0005","16.8148","0.0009","17.4778","0.001","74.056","0.003","86.334","0.003","85.641","0.003","2814","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C27 H47 N O5 Zn -","- C27 H47 N O5 Zn -","- C108 H188 N4 O20 Zn4 -","4","2","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.0565","0.0372","","","0.0925","0.1039","","","","","","0.892","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014848","8.4855","0.0002","14.4219","0.0004","19.461","0.0005","90","","90","","90","","2381.58","0.11","120","2","120","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 N O2 Zn -","- C23 H39 N O2 Zn -","- C92 H156 N4 O8 Zn4 -","4","1","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.0257","0.0218","","","0.052","0.0536","","","","","","1.162","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014849","10.7067","0.0004","13.1381","0.0005","13.956","0.0006","76.371","0.002","72.957","0.002","83.477","0.002","1821.97","0.13","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C31 H60 N2 O5 Si2 Zn -","- C31 H60 N2 O5 Si2 Zn -","- C62 H120 N4 O10 Si4 Zn2 -","2","1","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.0387","0.0303","","","0.0735","0.0772","","","","","","1.056","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014850","8.8637","0.0019","10.15","0.002","40.261","0.009","90","","90","","90","","3622.1","1.3","100","2","100","2","","","","","","","synthesis as described","4","P c a b","-P 2bc 2ac","61","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C152 H248 N8 O16 -","8","1","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.098","0.0682","","","0.1359","0.1481","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014851","10.7292","0.0003","10.7292","","29.5051","0.0009","90","","90","","120","","2941.46","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C21 H35 N O2 -","- C21 H35 N O2 -","- C126 H210 N6 O12 -","6","2","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.0412","0.0367","","","0.0879","0.0903","","","","","","1.198","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014852","13.9506","0.0017","10.7275","0.0007","23.4443","0.0016","90","","95.431","0.004","90","","3492.8","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 N2 O5 Si2 Zn -","- C29 H56 N2 O5 Si2 Zn -","- C116 H224 N8 O20 Si8 Zn4 -","4","1","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.0451","0.0323","","","0.0756","0.0816","","","","","","1.028","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014853","13.7988","0.0004","14.6192","0.0004","18.6856","0.0005","73.213","0.002","80.247","0.002","85.375","0.002","3554.6","0.18","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C60 H96 N4 O23 Zn5 -","- C60 H96 N4 O23 Zn5 -","- C120 H192 N8 O46 Zn10 -","2","1","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.1263","0.0732","","","0.186","0.2211","","","","","","1.021","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014854","13.7465","0.0017","14.055","0.0017","14.399","0.003","106.556","0.004","115.672","0.004","104.826","0.003","2159.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H42 Cl2 Cu4 N16 O19 S4 -","- C20 H42 Cl2 Cu4 N16 O19 S4 -","- C40 H84 Cl4 Cu8 N32 O38 S8 -","2","1","","Chu, Wen-Juan; Yao, Hong-Chang; Fan, Yao-Ting; Hou, Hong-Wei","Anion exchange induced tunable catalysis properties of an uncommon butterfly-like tetranuclear copper(ii) cluster and magnetic characterization","Dalton Transactions","2011","40","11","2555","","10.1039/c0dt01220c","","","0.71073","MoKα","","0.0896","0.0793","","","0.2202","0.2281","","","","","","1.055","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014855","20.6789","0.0018","7.4435","0.0004","25.026","0.002","90","","106.542","0.007","90","","3692.7","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H51.5 Mn N5 O8.75 -","- C32 H48 Mn N5 O8.75 -","- C128 H192 Mn4 N20 O35 -","4","2","","Gandolfi, Claudio; Cotting, Tatiana; Martinho, Paulo N.; Sereda, Olha; Neels, Antonia; Morgan, Grace G.; Albrecht, Martin","Synthesis and self-assembly of spin-labile and redox-active manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1855","1865","10.1039/c0dt01222j","","","0.71073","MoKα","","0.2028","0.1163","","","0.2808","0.3279","","","","","","0.963","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014856","15.997","0.003","14.451","0.004","33.798","0.007","90","","90","","90","","7813","3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36.25 H56.5 Mn N5 O7.75 -","- C34 H52 Mn N5 O7 -","- C272 H416 Mn8 N40 O56 -","8","2","","Gandolfi, Claudio; Cotting, Tatiana; Martinho, Paulo N.; Sereda, Olha; Neels, Antonia; Morgan, Grace G.; Albrecht, Martin","Synthesis and self-assembly of spin-labile and redox-active manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1855","1865","10.1039/c0dt01222j","","","0.71073","MoKα","","0.1395","0.0528","","","0.0939","0.1102","","","","","","0.621","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014857","13.9091","0.0007","10.9326","0.0007","24.285","0.0014","90","","90.88","0.004","90","","3692.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Mn N5 O8 -","- C34 H54 Mn N5 O8 -","- C136 H216 Mn4 N20 O32 -","4","1","","Gandolfi, Claudio; Cotting, Tatiana; Martinho, Paulo N.; Sereda, Olha; Neels, Antonia; Morgan, Grace G.; Albrecht, Martin","Synthesis and self-assembly of spin-labile and redox-active manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1855","1865","10.1039/c0dt01222j","","","0.71073","MoKα","","0.1045","0.0527","","","0.1125","0.1242","","","","","","0.874","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014858","14.6015","0.0007","15.5255","0.0007","17.176","0.0008","90","","97.235","0.001","90","","3862.7","0.3","185","2","185","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Cl4 F8 N2 O2 Ti -","- C38 H28 Cl4 F8 N2 O2 Ti -","- C152 H112 Cl16 F32 N8 O8 Ti4 -","4","1","","Long, Ying-Yun; Ye, Wei-Ping; Tao, Ping; Li, Yue-Sheng","Novel heteroligated titanium complexes with fluorinated salicylaldiminato and β-enaminoketonato ligands: synthesis, characterization and catalytic behavior in vinyl addition polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1610","1618","10.1039/c0dt01225d","","","0.71073","MoKα","","0.066","0.0513","","","0.1496","0.1624","","","","","","1.051","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014859","13.5344","0.0005","12.2293","0.0004","20.854","0.0008","90","","99.946","0.001","90","","3399.8","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H22 Cl4 F8 N2 O2 Ti -","- C33 H22 Cl4 F8 N2 O2 Ti -","- C132 H88 Cl16 F32 N8 O8 Ti4 -","4","1","","Long, Ying-Yun; Ye, Wei-Ping; Tao, Ping; Li, Yue-Sheng","Novel heteroligated titanium complexes with fluorinated salicylaldiminato and β-enaminoketonato ligands: synthesis, characterization and catalytic behavior in vinyl addition polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1610","1618","10.1039/c0dt01225d","","","0.71073","MoKα","","0.0523","0.0354","","","0.0774","0.0855","","","","","","1.026","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014860","21.5519","0.0008","11.7525","0.0005","27.6927","0.0011","90","","96.162","0.001","90","","6973.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 Cl2 F12 N2 O3 Ti -","- C34 H22 Cl2 F12 N2 O3 Ti -","- C272 H176 Cl16 F96 N16 O24 Ti8 -","8","2","","Long, Ying-Yun; Ye, Wei-Ping; Tao, Ping; Li, Yue-Sheng","Novel heteroligated titanium complexes with fluorinated salicylaldiminato and β-enaminoketonato ligands: synthesis, characterization and catalytic behavior in vinyl addition polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1610","1618","10.1039/c0dt01225d","","","0.71073","MoKα","","0.0647","0.0463","","","0.1159","0.1278","","","","","","1.032","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014861","8.6919","0.001","17.638","0.002","18.832","0.003","90","","90","","90","","2887.1","0.7","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N2 O2 -","- C34 H36 N2 O2 -","- C136 H144 N8 O8 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.7107","MoKα","","0.0409","0.0383","","","0.0953","0.0971","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014862","11.68","0.0018","13.465","0.002","13.696","0.002","90","","108.561","0.002","90","","2041.9","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H52 N5 Nb O2 -","- C46 H52 N5 Nb O2 -","- C92 H104 N10 Nb2 O4 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0334","0.0295","","","0.0673","0.0682","","","","","","1.014","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014863","11.687","0.002","13.451","0.003","13.686","0.003","90","","108.63","0.03","90","","2038.7","0.8","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H52 N5 O2 Ta -","- C46 H52 N5 O2 Ta -","- C92 H104 N10 O4 Ta2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71073","MoKα","","0.0359","0.0351","","","0.0843","0.0849","","","","","","1.116","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014864","11.934","0.002","14.079","0.003","13.534","0.002","90","","111.011","0.009","90","","2122.8","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H60 N5 Nb O2 -","- C46 H60 N5 Nb O2 -","- C92 H120 N10 Nb2 O4 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","1.54187","CuKα","","0.0396","0.0366","","","0.0997","0.1236","","","","","","1.18","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014865","11.832","0.002","14.325","0.003","13.481","0.003","90","","111.28","0.03","90","","2129.1","0.9","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H60 N5 O2 Ta -","- C46 H60 N5 O2 Ta -","- C92 H120 N10 O4 Ta2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0398","0.0349","","","0.0849","0.086","","","","","","0.936","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014866","9.757","0.002","12.302","0.003","15.936","0.003","98.091","0.003","103.416","0.004","90.473","0.004","1840.4","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N5 Nb O2 -","- C40 H52 N5 Nb O2 -","- C80 H104 N10 Nb2 O4 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0343","0.0309","","","0.0814","0.0827","","","","","","1.094","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014867","9.7613","0.0018","12.259","0.002","15.969","0.003","82.373","0.006","77.151","0.005","89.891","0.006","1845.8","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N5 O2 Ta -","- C40 H52 N5 O2 Ta -","- C80 H104 N10 O4 Ta2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0358","0.035","","","0.0863","0.0889","","","","","","1.212","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014868","9.388","0.016","9.44","0.02","9.484","0.017","88.28","0.09","81.19","0.05","89.14","0.09","830","3","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","2","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","1.54178","CuKα","","0.0457","0.042","","","0.1115","0.128","","","","","","1.123","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014869","11.605","0.003","10.657","0.002","13.937","0.002","90","","92.275","0.014","90","","1722.3","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H46 N4 O2 V -","- C38 H46 N4 O2 V -","- C76 H92 N8 O4 V2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0598","0.0594","","","0.1941","0.1945","","","","","","1.213","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014870","15.136","0.0015","16.063","0.0018","17.379","0.002","90","","113.527","0.006","90","","3874.1","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 N5 Nb O4 S2 -","- C38 H52 N5 Nb O4 S2 -","- C152 H208 N20 Nb4 O16 S8 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","1.54187","CuKα","","0.0342","0.0316","","","0.0821","0.0988","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014871","15.181","0.0016","16.052","0.0018","17.371","0.002","90","","113.325","0.001","90","","3887.1","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 N5 O4 S2 Ta -","- C38 H52 N5 O4 S2 Ta -","- C152 H208 N20 O16 S8 Ta4 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","1.54187","CuKα","","0.0306","0.0296","","","0.0771","0.0781","","","","","","1.144","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014872","9.7371","0.0007","19.029","0.002","22.878","0.003","90","","90","","90","","4239","0.8","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 N4 P2 S2 V -","- C48 H44 N4 P2 S2 V -","- C192 H176 N16 P8 S8 V4 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0792","0.0734","","","0.1576","0.1618","","","","","","1.11","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014873","11.0271","0.0011","11.4224","0.0012","14.9238","0.0016","85.963","0.009","85.289","0.011","83.182","0.009","1856.6","0.3","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H50 N4 O2 V -","- C40 H50 N4 O2 V -","- C80 H100 N8 O4 V2 -","2","2","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0524","0.0371","","","0.0766","0.0825","","","","","","0.929","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014874","12.433","0.004","15.427","0.005","15.628","0.005","98.603","0.006","112.406","0.006","94.668","0.006","2708.4","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H66 N4 O2 V -","- C48 H66 N4 O2 V -","- C96 H132 N8 O4 V2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71073","MoKα","","0.123","0.0831","","","0.219","0.2451","","","","","","0.954","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014875","9.55","0.001","10.9436","0.0012","11.4253","0.0014","97.974","0.006","93.029","0.014","99.572","0.009","1162.5","0.2","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C55 H64 N5 Nb O2 -","- C55 H64 N5 Nb O2 -","- C55 H64 N5 Nb O2 -","1","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0442","0.0373","","","0.0769","0.0804","","","","","","1.01","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014876","16.237","0.005","10.878","0.003","21.013","0.006","90","","98.074","0.006","90","","3674.7","1.8","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C89 H94 N6 O2 V -","- C89 H94 N6 O2 V -","- C178 H188 N12 O4 V2 -","2","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0629","0.0534","","","0.1265","0.133","","","","","","1.044","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014877","13.7092","0.0019","18.865","0.003","19.441","0.003","90","","90","","90","","5027.9","1.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H70 N6 O2 V -","- C56 H70 N6 O2 V -","- C224 H280 N24 O8 V4 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0421","0.0384","","","0.0827","0.0844","","","","","","1.047","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014878","13.1691","0.0003","13.4302","0.0004","32.5935","0.0009","90","","90","","90","","5764.6","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H69 N6 Nb O2 -","- C56 H69 N6 Nb O2 -","- C224 H276 N24 Nb4 O8 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0466","0.0433","","","0.1132","0.1153","","","","","","1.068","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014879","13.1663","0.0019","13.4684","0.0019","32.49","0.005","90","","90","","90","","5761.4","1.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H69 N6 O2 Ta -","- C56 H69 N6 O2 Ta -","- C224 H276 N24 O8 Ta4 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.03","0.0285","","","0.0767","0.0775","","","","","","1.069","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014880","24.254","0.005","21.75","0.003","21.964","0.004","90","","115.942","0.004","90","","10419","3","113","2","113","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C84 H96 N6 O4 V2 -","- C84 H96 N6 O4 V2 -","- C336 H384 N24 O16 V8 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","1.54187","CuKα","","0.0404","0.0358","","","0.0853","0.0885","","","","","","0.995","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014881","9.997","0.006","11.386","0.008","12.879","0.009","80.65","0.05","71.77","0.04","73.69","0.05","1331.9","1.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H78 Cl2 Fe2 N2 O4 -","- C54 H78 Cl2 Fe2 N2 O4 -","- C54 H78 Cl2 Fe2 N2 O4 -","1","0.5","","Qian, Xin; Dawe, Louise N.; Kozak, Christopher M.","Catalytic alkylation of aryl Grignard reagents by iron(III) amine-bis(phenolate) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","933","943","10.1039/c0dt01239d","","","0.71075","MoKα","","0.0961","0.0916","","","0.2463","0.2516","","","","","","1.104","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014882","10.248","0.008","11.616","0.009","14.662","0.012","99.827","0.014","104.057","0.012","92.03","0.02","1663","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H102 Cl2 Fe2 N2 O4 -","- C66 H102 Cl2 Fe2 N2 O4 -","- C66 H102 Cl2 Fe2 N2 O4 -","1","0.5","","Qian, Xin; Dawe, Louise N.; Kozak, Christopher M.","Catalytic alkylation of aryl Grignard reagents by iron(III) amine-bis(phenolate) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","933","943","10.1039/c0dt01239d","","","0.71075","MoKα","","0.1381","0.1327","","","0.3793","0.3897","","","","","","1.627","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014883","13.052","0.003","13.686","0.003","18.072","0.003","100.96","0.002","101.664","0.003","106.866","0.002","2917","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H78 Cl2 Fe2 N2 O4 -","- C62 H78 Cl2 Fe2 N2 O4 -","- C124 H156 Cl4 Fe4 N4 O8 -","2","1","","Qian, Xin; Dawe, Louise N.; Kozak, Christopher M.","Catalytic alkylation of aryl Grignard reagents by iron(III) amine-bis(phenolate) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","933","943","10.1039/c0dt01239d","","","0.71075","MoKα","","0.0382","0.0361","","","0.0928","0.0948","","","","","","1.045","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014884","11.5336","0.0018","16.678","0.003","16.891","0.003","90","","98.51","0.003","90","","3213.3","1","128","2","128","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H44 Br2 Fe N O2 -","- C30.5 H36.5 Br2 Fe N O2 -","- C122 H146 Br8 Fe4 N4 O8 -","4","1","","Qian, Xin; Dawe, Louise N.; Kozak, Christopher M.","Catalytic alkylation of aryl Grignard reagents by iron(III) amine-bis(phenolate) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","933","943","10.1039/c0dt01239d","","","0.71075","MoKα","","0.0618","0.0573","","","0.1639","0.1674","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014885","5.4113","0.0007","21.983","0.003","31.33","0.004","90","","90","","90","","3726.9","0.8","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 Zn -","- C21 H22 N2 O2 Zn -","- C168 H176 N16 O16 Zn8 -","8","2","","Le Roux, Erwan; Merle, Nicolas; Törnroos, Karl W","Synthesis and characterisation of trigonal C(2)-chiral di- and tetra-substituted bis(oxazoline) alkyl zinc complexes and their reactivity towards protic reagents.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1768","1777","10.1039/c0dt01252a","","","0.71073","MoKα","","0.0415","0.0376","","","0.0908","0.0929","","","","","","1.108","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014886","17.0744","0.0009","10.7322","0.0006","19.3548","0.001","90","","107.654","0.001","90","","3379.7","0.3","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33.5 H54.5 N4 O4 Zn -","- C33.5 H54 N4 O4 Zn -","- C134 H216 N16 O16 Zn4 -","4","1","","Le Roux, Erwan; Merle, Nicolas; Törnroos, Karl W","Synthesis and characterisation of trigonal C(2)-chiral di- and tetra-substituted bis(oxazoline) alkyl zinc complexes and their reactivity towards protic reagents.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1768","1777","10.1039/c0dt01252a","","","0.71073","MoKα","","0.0206","0.0203","","","0.0548","0.055","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014887","10.3033","0.0007","16.6104","0.0011","75.385","0.005","90","","90","","90","","12901.5","1.5","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H34 N4 O4 Zn -","- C38 H34 N4 O4 Zn -","- C608 H544 N64 O64 Zn16 -","16","2","","Le Roux, Erwan; Merle, Nicolas; Törnroos, Karl W","Synthesis and characterisation of trigonal C(2)-chiral di- and tetra-substituted bis(oxazoline) alkyl zinc complexes and their reactivity towards protic reagents.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1768","1777","10.1039/c0dt01252a","","","0.71073","MoKα","","0.0679","0.0673","","","0.1484","0.1487","","","","","","1.29","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014888","10.4478","0.001","20.0927","0.0019","13.3732","0.0013","90","","92.491","0.011","90","","2804.7","0.5","180","2","180","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Co2 N4 O30 Tb2 -","- C44 H54 Co2 N4 O30 Tb2 -","- C88 H108 Co4 N8 O60 Tb4 -","2","0.5","","Costes, Jean-Pierre; Vendier, Laure; Wernsdorfer, Wolfgang","Structural and magnetic studies of original tetranuclear Co(II)-Ln(III) complexes (Ln(III) = Gd, Tb, Y).","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1700","1706","10.1039/c0dt01253j","","","0.71073","MoKα","","0.0315","0.0246","","","0.06","0.0614","","","","","","1.023","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014889","10.9145","0.0006","11.0981","0.0007","12.7917","0.0007","72.514","0.003","66.084","0.002","62.621","0.003","1245.29","0.13","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C35 H36 Co2 Gd2 N4 O27 -","- C35 H36 Co2 Gd2 N4 O27 -","- C35 H36 Co2 Gd2 N4 O27 -","1","0.5","","Costes, Jean-Pierre; Vendier, Laure; Wernsdorfer, Wolfgang","Structural and magnetic studies of original tetranuclear Co(II)-Ln(III) complexes (Ln(III) = Gd, Tb, Y).","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1700","1706","10.1039/c0dt01253j","","","0.71073","MoKα","","0.0431","0.0397","","","0.1173","0.1278","","","","","","1.114","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014890","10.915","0.0009","11.098","0.001","12.792","0.0007","72.514","0.003","66.084","0.005","62.621","0.002","1245.36","0.17","180","2","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C35 H36 Co2 N4 O27 Y2 -","- C35 H36 Co2 N4 O27 Y2 -","- C35 H36 Co2 N4 O27 Y2 -","1","0.5","","Costes, Jean-Pierre; Vendier, Laure; Wernsdorfer, Wolfgang","Structural and magnetic studies of original tetranuclear Co(II)-Ln(III) complexes (Ln(III) = Gd, Tb, Y).","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1700","1706","10.1039/c0dt01253j","","","0.71073","MoKα","","0.0806","0.0556","","","0.1634","0.1751","","","","","","1.022","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014891","7.4227","0.0004","8.4007","0.0006","9.1488","0.0006","85.546","0.006","69.109","0.006","81.652","0.005","527.12","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C20 H28 O10 -","2","1","","Shi, Lian-Xu; Zhang, Xian-Wei; Wu, Chuan-De","The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral metal sites in catalytic oxidative cyclization of acetylacetone.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","779","781","10.1039/c0dt01254h","","","1.54178","CuKα","","0.0767","0.0592","","","0.177","0.193","","","","","","1.038","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014892","8.126","0.0012","13.048","0.002","8.621","0.0015","90","","113.676","0.015","90","","837.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Shi, Lian-Xu; Zhang, Xian-Wei; Wu, Chuan-De","The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral metal sites in catalytic oxidative cyclization of acetylacetone.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","779","781","10.1039/c0dt01254h","","","1.54178","CuKα","","0.0726","0.0482","","","0.1211","0.1342","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014893","12.5382","0.0003","13.9382","0.0004","16.7244","0.0005","84.004","0.002","73.969","0.002","63.604","0.003","2515.66","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- H74 Mn4 O105 V2 W19 Zn3 -","- Mn4 O105 V2 W19 Zn3 -","- Mn4 O105 V2 W19 Zn3 -","1","0.5","","Shi, Lian-Xu; Zhang, Xian-Wei; Wu, Chuan-De","The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral metal sites in catalytic oxidative cyclization of acetylacetone.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","779","781","10.1039/c0dt01254h","","","0.71073","MoKα","","0.1143","0.0967","","","0.2451","0.2512","","","","","","1.332","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014894","32.2388","0.0009","14.6184","0.0005","21.7787","0.0007","90","","95.935","0.002","90","","10208.8","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Co4 H104 K2 O121 V2 W19 Zn3 -","- Co4 K2 O121 V2 W19 Zn3 -","- Co16 K8 O484 V8 W76 Zn12 -","4","0.5","","Shi, Lian-Xu; Zhang, Xian-Wei; Wu, Chuan-De","The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral metal sites in catalytic oxidative cyclization of acetylacetone.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","779","781","10.1039/c0dt01254h","","","0.71073","MoKα","","0.0812","0.0667","","","0.1608","0.1651","","","","","","1.221","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014895","32.1482","0.0009","14.5862","0.0004","21.7639","0.0006","90","","96.069","0.002","90","","10148.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- H98 K2 Ni4 O118 V2 W19 Zn3 -","- K2 Ni4 O118 V2 W19 Zn3 -","- K8 Ni16 O472 V8 W76 Zn12 -","4","0.5","","Shi, Lian-Xu; Zhang, Xian-Wei; Wu, Chuan-De","The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral metal sites in catalytic oxidative cyclization of acetylacetone.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","779","781","10.1039/c0dt01254h","","","0.71073","MoKα","","0.0794","0.0649","","","0.1604","0.1646","","","","","","1.15","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014896","18.3337","0.0003","16.1172","0.0003","20.7593","0.0003","90","","90","","90","","6134.12","0.18","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tri-tert-butylphosphonium cyclohexylbis(pentafluorophenyl)hydridoborate","Tri-tert-butylphosphonium cyclohexylbis(pentafluorophenyl)hydridoborate","","- C30 H40 B F10 P -","- C30 H40 B F10 P -","- C240 H320 B8 F80 P8 -","8","1","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Reversible, metal-free hydrogen activation by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1091","1097","10.1039/c0dt01255f","","","0.71073","MoKα","","0.0895","0.0427","","","0.0918","0.0999","","","","","","0.864","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014897","9.4346","0.0002","11.4068","0.0003","14.4546","0.0003","74.034","0.002","87.133","0.002","68.809","0.002","1392.33","0.06","183","2","183","2","","","","","","","","5","P -1","-P 1","2","2,2,6,6-Tetramethylpiperidinium phenethylbis(pentafluorophenyl)hydridoborate","2,2,6,6-Tetramethylpiperidinium phenethylbis(pentafluorophenyl)hydridoborate","","- C29 H30 B F10 N -","- C29 H30 B F10 N -","- C58 H60 B2 F20 N2 -","2","1","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Reversible, metal-free hydrogen activation by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1091","1097","10.1039/c0dt01255f","","","0.71073","MoKα","","0.0781","0.0562","","","0.172","0.1814","","","","","","1.094","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014898","15.4874","0.0004","7.0384","0.0002","13.2612","0.0005","90","","90.997","0.002","90","","1445.34","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N2 O2 Zn -","- C14 H10 Cl2 N2 O2 Zn -","- C56 H40 Cl8 N8 O8 Zn4 -","4","1","","Jones, Roderick C.; Chojnacka, Maja W.; Quail, J. Wilson; Gardiner, Michael G.; Decken, Andreas; Yates, Brian F.; Gossage, Robert A.","Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1594","1600","10.1039/c0dt01266a","","","0.71073","MoKα","","0.0569","0.0422","","","0.0965","0.1036","","","","","","1.133","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014899","15.9848","0.0004","7.038","0.0002","13.5346","0.0003","90","","91.279","0.002","90","","1522.28","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 N2 O2 Zn -","- C14 H10 Br2 N2 O2 Zn -","- C56 H40 Br8 N8 O8 Zn4 -","4","1","","Jones, Roderick C.; Chojnacka, Maja W.; Quail, J. Wilson; Gardiner, Michael G.; Decken, Andreas; Yates, Brian F.; Gossage, Robert A.","Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1594","1600","10.1039/c0dt01266a","","","0.71073","MoKα","","0.0482","0.0322","","","0.066","0.0729","","","","","","1.043","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014900","9.522","0.007","25.846","0.019","7.222","0.005","90","","108.101","0.01","90","","1689","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br2 N2 O2 Zn -","- C16 H14 Br2 N2 O2 Zn -","- C64 H56 Br8 N8 O8 Zn4 -","4","1","","Jones, Roderick C.; Chojnacka, Maja W.; Quail, J. Wilson; Gardiner, Michael G.; Decken, Andreas; Yates, Brian F.; Gossage, Robert A.","Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1594","1600","10.1039/c0dt01266a","","","0.71073","MoKα","","0.0398","0.0314","","","0.0763","0.0809","","","","","","1.048","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014901","9.5706","0.0005","6.5091","0.0004","14.8273","0.0008","90","","118.1","0.003","90","","814.8","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N2 O2 Pd -","- C16 H14 Cl2 N2 O2 Pd -","- C32 H28 Cl4 N4 O4 Pd2 -","2","0.5","","Jones, Roderick C.; Chojnacka, Maja W.; Quail, J. Wilson; Gardiner, Michael G.; Decken, Andreas; Yates, Brian F.; Gossage, Robert A.","Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1594","1600","10.1039/c0dt01266a","","","0.71073","MoKα","","0.0448","0.0317","","","0.0727","0.0788","","","","","","1.026","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014902","12.005","0.004","18.804","0.0014","19.233","0.0014","90","","92.225","0.002","90","","4338.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 O4 Pd -","- C26 H22 N4 O4 Pd -","- C208 H176 N32 O32 Pd8 -","8","2","","Jones, Roderick C.; Chojnacka, Maja W.; Quail, J. Wilson; Gardiner, Michael G.; Decken, Andreas; Yates, Brian F.; Gossage, Robert A.","Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1594","1600","10.1039/c0dt01266a","","","0.77487","Synchrotron","","0.0384","0.035","","","0.0925","0.0945","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014903","8.8213","0.0014","9.2284","0.0015","9.3398","0.0015","80.219","0.002","75.043","0.002","62.591","0.002","650.94","0.18","155","2","155","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H17 N3 -","- C15 H17 N3 -","- C30 H34 N6 -","2","1","","Crimmin, Mark R.; Colby, Denise A.; Ellman, Jonathan A.; Bergman, Robert G.","Synthesis and coordination chemistry of tri-substituted benzamidrazones.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","514","522","10.1039/c0dt01267j","","","0.71073","MoKα","","0.0537","0.0364","","","0.0833","0.0902","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014904","10.3261","0.0007","13.8183","0.0009","17.4025","0.0012","90","","90","","90","","2483.1","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl4 N3 Ru -","- C21 H29 Cl4.001 N3 Ru -","- C84 H116 Cl16.004 N12 Ru4 -","4","1","","Crimmin, Mark R.; Colby, Denise A.; Ellman, Jonathan A.; Bergman, Robert G.","Synthesis and coordination chemistry of tri-substituted benzamidrazones.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","514","522","10.1039/c0dt01267j","","","0.71073","MoKα","","0.0632","0.051","","","0.1077","0.1151","","","","","","1.083","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014905","9.7105","0.0011","12.4005","0.0013","16.6567","0.0018","90","","90","","90","","2005.7","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MRC_III_CpIrLCl","","","- C20 H29 Cl Ir N3 -","- C20 H29 Cl Ir N3 -","- C80 H116 Cl4 Ir4 N12 -","4","1","","Crimmin, Mark R.; Colby, Denise A.; Ellman, Jonathan A.; Bergman, Robert G.","Synthesis and coordination chemistry of tri-substituted benzamidrazones.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","514","522","10.1039/c0dt01267j","","","0.71069","MoKα","","0.035","0.0301","","","0.0599","0.0624","","","","","","1.082","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014906","9.437","0.005","10.703","0.005","11.94","0.005","110.278","0.005","90.291","0.005","106.338","0.005","1078.5","0.9","123","2","123","2","","","","","","","","5","P -1","-P 1","2","MRC_II_055A1","","","- C22 H32 Cl N3 Ru -","- C22 H32 Cl N3 Ru -","- C44 H64 Cl2 N6 Ru2 -","2","1","","Crimmin, Mark R.; Colby, Denise A.; Ellman, Jonathan A.; Bergman, Robert G.","Synthesis and coordination chemistry of tri-substituted benzamidrazones.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","514","522","10.1039/c0dt01267j","","","0.71073","MoKα","","0.0265","0.0257","","","0.0976","0.0997","","","","","","1.087","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014907","9.0889","0.0018","14.676","0.003","16.295","0.003","90","","94.18","0.03","90","","2167.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 B2 N2 S2 -","- C52 H52 B2 N2 S2 -","- C104 H104 B4 N4 S4 -","2","0.5","","Li, Di; Zhang, Zuolun; Zhao, Shanshan; Wang, Yue; Zhang, Hongyu","Diboron-containing fluorophores with extended ladder-type π-conjugated skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1279","1285","10.1039/c0dt01269f","","","0.71073","MoKα","","0.2464","0.1086","","","0.2","0.2605","","","","","","1.064","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014908","5.735","0.004","5.124","0.003","23.138","0.0016","90","","101.01","0.03","90","","667.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 S2 -","- C16 H10 N2 S2 -","- C32 H20 N4 S4 -","2","0.5","","Li, Di; Zhang, Zuolun; Zhao, Shanshan; Wang, Yue; Zhang, Hongyu","Diboron-containing fluorophores with extended ladder-type π-conjugated skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1279","1285","10.1039/c0dt01269f","","","0.71073","MoKα","","0.0439","0.0395","","","0.1135","0.1176","","","","","","1.069","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014909","34.311","0.005","10.0678","0.0018","11.3809","0.0004","90","","93.87","0.008","90","","3922.4","0.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","h5-(3-p-Methoxyphenyl-2-methoxycyclohexadienyl)Mn(CO)3","h5-(3-p-Methoxyphenyl-2-methoxycyclohexadienyl)Mn(CO)3","","- C23 H19 Mn O5 -","- C23 H19 Mn O5 -","- C184 H152 Mn8 O40 -","8","1","","Rose-Munch, Françoise; Marti, Alex; Cetiner, Derya; Tranchier, Jean-Philippe; Rose, Eric","New access to (η(5)-cyclohexadienyl)Mn(CO)3 and cationic (η(6)-arene)Mn(CO)3 complexes by Suzuki-Miyaura reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1567","1575","10.1039/c0dt01270j","","","0.71073","MoKα","","0.0568","0.0336","","","0.0804","0.0915","","","","","","1.013","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014910","18.588","0.002","9.445","0.0011","20.114","0.0017","90","","90.137","0.008","90","","3531.3","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(h6-(1-p-fluorophenyl-4-methoxyphenyl)Mn(CO)3)BF4","[h6-(1-p-fluorophenyl-4-methoxyphenyl)Mn(CO)3]BF4","","- C16.5 H13 B F5 Mn O4.5 -","- C16.5 H11 B F5 Mn O4.5 -","- C132 H88 B8 F40 Mn8 O36 -","8","1","","Rose-Munch, Françoise; Marti, Alex; Cetiner, Derya; Tranchier, Jean-Philippe; Rose, Eric","New access to (η(5)-cyclohexadienyl)Mn(CO)3 and cationic (η(6)-arene)Mn(CO)3 complexes by Suzuki-Miyaura reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1567","1575","10.1039/c0dt01270j","","","0.71073","MoKα","","0.0962","0.0601","","","0.174","0.2009","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014911","14.456","0.002","11.0059","0.0011","16.369","0.002","90","","106.218","0.011","90","","2500.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H21 B Li O2 -","- C11 H21 B Li O2 -","- C88 H168 B8 Li8 O16 -","8","1","","Franz, Daniel; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents","Dalton Transactions","2011","40","11","2433","","10.1039/c0dt01271h","","","0.71073","MoKα","","0.0759","0.0642","","","0.1711","0.1808","","","","","","1.052","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014912","8.8448","0.0008","9.0494","0.0008","9.1349","0.0009","73.851","0.007","68.733","0.007","66.814","0.007","618.47","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 B2 Li2 O4 -","- C22 H42 B2 Li2 O4 -","- C22 H42 B2 Li2 O4 -","1","0.5","","Franz, Daniel; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents","Dalton Transactions","2011","40","11","2433","","10.1039/c0dt01271h","","","0.71073","MoKα","","0.0755","0.0679","","","0.1865","0.1927","","","","","","1.075","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014913","10.3561","0.001","10.8699","0.0006","12.2614","0.001","90","","94.386","0.007","90","","1376.22","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H54 B2 N2 -","- C26 H54 B2 N2 -","- C52 H108 B4 N4 -","2","0.5","","Franz, Daniel; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents","Dalton Transactions","2011","40","11","2433","","10.1039/c0dt01271h","","","0.71073","MoKα","","0.0653","0.0495","","","0.1231","0.1302","","","","","","1.029","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014914","12.5723","0.0011","9.5902","0.0006","13.5233","0.0011","90","","108.187","0.006","90","","1549.1","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 B2 -","- C34 H56 B2 -","- C68 H112 B4 -","2","0.5","","Franz, Daniel; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents","Dalton Transactions","2011","40","11","2433","","10.1039/c0dt01271h","","","0.71073","MoKα","","0.0795","0.0579","","","0.154","0.1646","","","","","","1.07","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014915","8.3824","0.0008","9.8427","0.0009","12.8041","0.0012","102.329","0.007","96.038","0.008","110.013","0.007","951.26","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 B2 O4 -","- C18 H28 B2 O4 -","- C36 H56 B4 O8 -","2","1","","Franz, Daniel; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents","Dalton Transactions","2011","40","11","2433","","10.1039/c0dt01271h","","","0.71073","MoKα","","0.0494","0.0385","","","0.0928","0.0973","","","","","","1.024","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014916","6.6943","0.0006","7.8948","0.0008","9.8024","0.0009","109.19","0.007","99.292","0.007","108.45","0.007","443.28","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 Br2 -","- C18 H28 Br2 -","- C18 H28 Br2 -","1","0.5","","Franz, Daniel; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents","Dalton Transactions","2011","40","11","2433","","10.1039/c0dt01271h","","","0.71073","MoKα","","0.0257","0.0243","","","0.0592","0.0597","","","","","","1.077","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014917","7.6693","0.0009","9.4074","0.001","11.9721","0.0013","76.715","0.008","86.255","0.009","73.941","0.008","807.84","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H52 B2 O4 -","- C30 H52 B2 O4 -","- C30 H52 B2 O4 -","1","0.5","","Franz, Daniel; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents","Dalton Transactions","2011","40","11","2433","","10.1039/c0dt01271h","","","0.71073","MoKα","","0.1003","0.0841","","","0.2535","0.2677","","","","","","1.112","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014918","9.2666","0.001","14.2673","0.0015","15.983","0.0019","67.763","0.008","76.707","0.009","75.464","0.009","1871.7","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H66 B2 Li2 O4 -","- C34 H66 B2 Li2 O4 -","- C68 H132 B4 Li4 O8 -","2","1","","Franz, Daniel; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents","Dalton Transactions","2011","40","11","2433","","10.1039/c0dt01271h","","","0.71073","MoKα","","0.1275","0.0572","","","0.0961","0.1117","","","","","","0.829","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014919","15.608","0.006","19.1","0.009","16.182","0.004","90","","103.07","0.04","90","","4699","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98.55 H85.82 Mn6 N13.27 O18 -","- C98.548 H85.822 Mn6 N13.274 O18 -","- C197.096 H171.644 Mn12 N26.548 O36 -","2","0.5","","Kotzabasaki, Vasiliki; Inglis, Ross; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","Hexametallic manganese clusters with bulky derivatised salicylaldoximes.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1693","1699","10.1039/c0dt01273d","","","0.71073","MoKα","","0.1705","0.0484","","","0.0492","0.0608","","","","","","0.652","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014920","13.004","0.005","12.887","0.005","26.36","0.009","90","","101.58","0.03","90","","4328","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H88 Mn6 N6 O22 -","- C92 H88 Mn6 N6 O22 -","- C184 H176 Mn12 N12 O44 -","2","0.5","","Kotzabasaki, Vasiliki; Inglis, Ross; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","Hexametallic manganese clusters with bulky derivatised salicylaldoximes.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1693","1699","10.1039/c0dt01273d","","","0.71073","MoKα","","0.0948","0.0402","","","0.0508","0.0553","","","","","","0.896","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014921","13.8863","0.0004","14.4013","0.0004","15.7519","0.0005","116.391","0.001","90.639","0.002","117.465","0.001","2409.38","0.13","150","","150","","","","","","","","Ross Inglis, RI1308","5","P -1","-P 1","2","","","","- C104 H100 Mn6 N6 O22 -","- C104 H100 Mn6 N6 O22 -","- C104 H100 Mn6 N6 O22 -","1","0.5","","Kotzabasaki, Vasiliki; Inglis, Ross; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","Hexametallic manganese clusters with bulky derivatised salicylaldoximes.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1693","1699","10.1039/c0dt01273d","","","0.71073","MoKα","","0.0962","0.0678","","0.1652","0.1322","0.1652","","","","","","0.9012","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014922","13.7188","0.0004","14.4624","0.0005","14.99","0.0005","95.712","0.002","116.428","0.002","110.512","0.002","2375.9","0.16","150","2","150","2","","","","","","","Ross Inglis","5","P -1","-P 1","2","","","","- C97 H99 Mn6 N6 O22.5 -","- C97 H99 Mn6 N6 O22.5 -","- C97 H99 Mn6 N6 O22.5 -","1","0.5","","Kotzabasaki, Vasiliki; Inglis, Ross; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.","Hexametallic manganese clusters with bulky derivatised salicylaldoximes.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1693","1699","10.1039/c0dt01273d","","","0.71073","MoKα","","0.0666","0.051","","","0.1225","0.1308","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014923","18.657","0.004","24.38","0.005","11.4","0.002","90","","90","","90","","5185.4","1.8","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C76 H124 Co3 N14 O46 -","- C76 H124 Co3 N14 O46 -","- C152 H248 Co6 N28 O92 -","2","0.5","","Chen, Zilu; Liu, Xianlin; Zhang, Chuanbing; Zhang, Zhong; Liang, Fupei","Structure, adsorption and magnetic properties of chiral metal-organic frameworks bearing linear trinuclear secondary building blocks.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1911","1918","10.1039/c0dt01278e","","","0.71073","MoKα","","0.0966","0.0721","","","0.1533","0.1725","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014924","18.663","0.004","24.329","0.005","11.395","0.002","90","","90","","90","","5173.9","1.8","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C76 H124 Co3 N14 O46 -","- C76 H124 Co3 N14 O46 -","- C152 H248 Co6 N28 O92 -","2","0.5","","Chen, Zilu; Liu, Xianlin; Zhang, Chuanbing; Zhang, Zhong; Liang, Fupei","Structure, adsorption and magnetic properties of chiral metal-organic frameworks bearing linear trinuclear secondary building blocks.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1911","1918","10.1039/c0dt01278e","","","0.71073","MoKα","","0.0995","0.0736","","","0.1547","0.1746","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014925","18.495","0.004","24.215","0.005","11.297","0.002","90","","90","","90","","5059.4","1.8","213","2","213","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H108 N14 Ni3 O34 -","- C80 H100 N14 Ni3 O30 -","- C160 H200 N28 Ni6 O60 -","2","0.5","","Chen, Zilu; Liu, Xianlin; Zhang, Chuanbing; Zhang, Zhong; Liang, Fupei","Structure, adsorption and magnetic properties of chiral metal-organic frameworks bearing linear trinuclear secondary building blocks.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1911","1918","10.1039/c0dt01278e","","","0.71073","MoKα","","0.0496","0.0454","","","0.1145","0.1173","","","","","","1.035","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014926","9.864","0.003","12.77","0.003","17.926","0.004","101.9","0.03","95.65","0.03","96.1","0.03","2180.1","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(tris((4-methylpiperazin-1-yl)methyl) phosphine-P)-copper(I) cyclohexane, dichloromethane, water solvate","Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(tris((4-methylpiperazin-1-yl)methyl) phosphine-P)-copper(I) cyclohexane, dichloromethane, water solvate","","- C35.78 H62.56 Cl2 Cu I N8 O2 P -","- C35.782 H62.564 Cl2.002 Cu I N8 O2 P -","- C71.564 H125.128 Cl4.004 Cu2 I2 N16 O4 P2 -","2","1","","Starosta, Radosław; Puchalska, Małgorzata; Cybińska, Joanna; Barys, Maciej; Mudring, Anja V.","Structures, electronic properties and solid state luminescence of Cu(I) iodide complexes with 2,9-dimethyl-1,10-phenanthroline and aliphatic aminomethylphosphines or triphenylphosphine","Dalton Transactions","2011","40","11","2459","","10.1039/c0dt01284j","","","0.71073","MoKα","","0.0664","0.0403","","","0.0881","0.0948","","","","","","1.007","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014927","9.818","0.003","19.049","0.004","17.201","0.003","90","","98.53","0.02","90","","3181.4","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(tris(morpholinomethyl)phosphine-P)-copper(I)","Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(tris(morpholinomethyl)phosphine-P)-copper(I)","","- C29 H42 Cu I N5 O3 P -","- C29 H42 Cu I N5 O3 P -","- C116 H168 Cu4 I4 N20 O12 P4 -","4","1","","Starosta, Radosław; Puchalska, Małgorzata; Cybińska, Joanna; Barys, Maciej; Mudring, Anja V.","Structures, electronic properties and solid state luminescence of Cu(I) iodide complexes with 2,9-dimethyl-1,10-phenanthroline and aliphatic aminomethylphosphines or triphenylphosphine","Dalton Transactions","2011","40","11","2459","","10.1039/c0dt01284j","","","0.71073","MoKα","","0.0335","0.0216","","","0.0432","0.0465","","","","","","1.003","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014928","17.873","0.004","9.582","0.002","21.537","0.004","90","","97.73","0.03","90","","3654.9","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(triphenylphosphine-P)-copper(I), trichloromethane solvate","Iodo-(2,9-dimethyl-1,10-phenanthroline-N,N')-(triphenylphosphine-P)-copper(I), trichloromethane solvate","","- C34 H29 Cl6 Cu I N2 P -","- C34 H29 Cl6 Cu I N2 P -","- C136 H116 Cl24 Cu4 I4 N8 P4 -","4","1","","Starosta, Radosław; Puchalska, Małgorzata; Cybińska, Joanna; Barys, Maciej; Mudring, Anja V.","Structures, electronic properties and solid state luminescence of Cu(i) iodide complexes with 2,9-dimethyl-1,10-phenanthroline and aliphatic aminomethylphosphines or triphenylphosphine","Dalton Transactions","2011","40","11","2459","","10.1039/c0dt01284j","","","0.71073","MoKα","","0.0863","0.0453","","","0.092","0.0989","","","","","","0.983","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014929","18.2265","0.0003","9.9967","0.0002","19.4434","0.0004","90","","90","","90","","3542.68","0.12","123","1","123","1","","","","","","","","7","P c a 21","P 2c -2ac","29","(Yb(ttfpz)2(thf)4)","[Yb(ttfpz)2(thf)4]","","- C32 H40 F6 N4 O4 S2 Yb -","- C32 H40 F6 N4 O4 S2 Yb -","- C128 H160 F24 N16 O16 S8 Yb4 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.0265","0.0246","","","0.0583","0.0594","","","","","","1.068","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014930","18.1794","0.0003","9.9826","0.0002","19.4586","0.0004","90","","90","","90","","3531.3","0.12","123","1","123","1","","","","","","","","7","P c a 21","P 2c -2ac","29","(Ca(ttfpz)2(thf)4)","[Ca(ttfpz)2(thf)4]","","- C32 H40 Ca F6 N4 O4 S2 -","- C32.004 H40 Ca F6 N4 O4 S2 -","- C128.016 H160 Ca4 F24 N16 O16 S8 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.1035","0.0726","","","0.1452","0.1584","","","","","","1.051","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014931","18.4622","0.0003","10.0965","0.0002","19.3001","0.0004","90","","90","","90","","3597.61","0.12","123","1","123","1","","","","","","","","7","P c a 21","P 2c -2ac","29","(Sr(ttfpz)2(thf)4)","[Sr(ttfpz)2(thf)4]","","- C32 H40 F6 N4 O4 S2 Sr -","- C32 H40 F6 N4 O4 S2 Sr -","- C128 H160 F24 N16 O16 S8 Sr4 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.0389","0.029","","","0.0647","0.0681","","","","","","1.029","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014932","18.766","0.0003","10.2146","0.0002","19.262","0.0004","90","","90","","90","","3692.28","0.12","123","1","123","1","","","","","","","","7","P c a 21","P 2c -2ac","29","(Ba(ttfpz)2(thf)4)","[Ba(ttfpz)2(thf)4]","","- C32 H40 Ba F6 N4 O4 S2 -","- C32 H40 Ba F6 N4 O4 S2 -","- C128 H160 Ba4 F24 N16 O16 S8 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.0365","0.0339","","","0.0958","0.0986","","","","","","1.052","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014933","7.7619","0.0002","18.993","0.0006","19.8639","0.0007","90","","99.619","0.001","90","","2887.2","0.16","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Ca(ttfpz)2(dme)2)","[Ca(ttfpz)2(dme)2]","","- C24 H28 Ca F6 N4 O4 S2 -","- C24 H28 Ca F6 N4 O4 S2 -","- C96 H112 Ca4 F24 N16 O16 S8 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.053","0.047","","","0.1221","0.127","","","","","","1.044","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014934","7.918","0.0016","19.131","0.004","19.896","0.004","90","","98.82","0.03","90","","2978.2","1.1","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Sr(ttfpz)2(dme)2)","[Sr(ttfpz)2(dme)2]","","- C24 H28 F6 N4 O4 S2 Sr -","- C24 H28 F6 N4 O4 S2 Sr -","- C96 H112 F24 N16 O16 S8 Sr4 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.1598","0.0983","","","0.1889","0.2119","","","","","","1.08","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014935","11.4592","0.0004","13.7915","0.0005","18.5391","0.0007","90","","90.903","0.002","90","","2929.55","0.18","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Yb(ttfpz)2(dme)2)","[Yb(ttfpz)2(dme)2]","","- C24 H28 F6 N4 O4 S2 Yb -","- C24 H28 F6 N4 O4 S2 Yb -","- C96 H112 F24 N16 O16 S8 Yb4 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.0244","0.0235","","","0.0578","0.0582","","","","","","1.079","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014936","20.2283","0.0003","19.7677","0.0003","36.87","0.0006","90","","101.292","0.001","90","","14457.7","0.4","123","1","123","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(Ba(ttfpz)2(dme)3)","[Ba(ttfpz)2(dme)3]","","- C28 H38 Ba F6 N4 O6 S2 -","- C28 H38 Ba F6 N4 O6 S2 -","- C448 H608 Ba16 F96 N64 O96 S32 -","16","2","","Deacon, Glen B.; Junk, Peter C.; Urbatsch, Aron","Divalent metal complexes (Ca, Sr, Ba, Yb) of the unsymmetrical 3-(2'-thienyl)-5-(trifluoromethyl)pyrazolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1601","1609","10.1039/c0dt01289k","","","0.71073","MoKα","","0.0386","0.0285","","","0.0562","0.0598","","","","","","1.031","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014937","9.4576","0.0004","11.4589","0.0005","15.3668","0.0007","93.896","0.002","104.356","0.002","93.28","0.002","1604.89","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C38 H42 Mg N4 -","- C38 H42 Mg N4 -","- C76 H84 Mg2 N8 -","2","1","","Drouin, Frédéric; Whitehorne, Todd J. J.; Schaper, Frank","Nacnac(Bn)MgOtBu: a diketiminate-based catalyst for the polymerisation of rac-lactide with slight isotactic preference.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1396","1400","10.1039/c0dt01294g","","","1.54178","CuKα","","0.044","0.0391","","","0.1112","0.1149","","","","","","1.031","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014938","10.0643","0.0002","10.7726","0.0002","11.8549","0.0002","69.265","0.001","77.085","0.001","64.629","0.001","1082.18","0.04","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C46 H60 Mg2 N4 O2 -","- C46 H60 Mg2 N4 O2 -","- C46 H60 Mg2 N4 O2 -","1","0.5","","Drouin, Frédéric; Whitehorne, Todd J. J.; Schaper, Frank","Nacnac(Bn)MgOtBu: a diketiminate-based catalyst for the polymerisation of rac-lactide with slight isotactic preference.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1396","1400","10.1039/c0dt01294g","","","1.54178","CuKα","","0.0568","0.0498","","","0.1386","0.1435","","","","","","1.074","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014939","9.943","0.002","21.275","0.004","13.874","0.003","90","","107.19","0.03","90","","2803.8","1.1","298","2","298","2","","","101.33","","","","synthesized by the authors","6","P 1 21 1","P 2yb","4","","","","- C27 H35 B Cu F4 N3 -","- C27 H35 B Cu F4 N3 -","- C108 H140 B4 Cu4 F16 N12 -","4","2","","Allen, John J.; Barron, Andrew R.","Demonstration of remote steric differentiation of cis/trans alkene coordination in copper(I) complexes of aryl-substituted bis(2-pyridyl)amine.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1189","1194","10.1039/c0dt01301c","","x-ray","0.71073","MoKα","","0.1712","0.0937","","","0.2139","0.235","","","","","","1.235","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014940","21.7675","0.0014","21.7675","0.0014","37.171","0.003","90","","90","","120","","15252.9","1.9","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.67 H24.67 Cl6 Dy N3 O6.67 -","- C29.6633 H16 Cl6 Dy N3 O6.68 -","- C533.94 H288 Cl108 Dy18 N54 O120.24 -","18","1","","Chen, Zhen-Feng; Song, Xiao-Yan; Peng, Yan; Hong, Xue; Liu, Yan-Cheng; Liang, Hong","High cytotoxicity of dihalo-substituted 8-quinolinolato-lanthanides.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1684","1692","10.1039/c0dt01310b","","","0.71075","MoKα","","0.0537","0.0478","","","0.1176","0.1211","","","","","","1.165","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014941","21.7263","0.0014","21.7263","0.0014","37.099","0.002","90","","90","","120","","15165.8","1.6","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.67 H24.67 Cl6 Er N3 O6.67 -","- C29.6633 H16 Cl6 Er N3 O6.68 -","- C533.94 H288 Cl108 Er18 N54 O120.24 -","18","1","","Chen, Zhen-Feng; Song, Xiao-Yan; Peng, Yan; Hong, Xue; Liu, Yan-Cheng; Liang, Hong","High cytotoxicity of dihalo-substituted 8-quinolinolato-lanthanides.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1684","1692","10.1039/c0dt01310b","","","0.71075","MoKα","","0.0715","0.0534","","","0.1217","0.1322","","","","","","1.105","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014942","22.246","0.002","22.246","0.002","37.488","0.006","90","","90","","120","","16067","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.67 H24.67 Br6 Gd N3 O6.67 -","- C29.6633 H16 Br6 Gd N3 O6.68 -","- C533.94 H288 Br108 Gd18 N54 O120.24 -","18","1","","Chen, Zhen-Feng; Song, Xiao-Yan; Peng, Yan; Hong, Xue; Liu, Yan-Cheng; Liang, Hong","High cytotoxicity of dihalo-substituted 8-quinolinolato-lanthanides.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1684","1692","10.1039/c0dt01310b","","","0.71075","MoKα","","0.126","0.0801","","","0.171","0.1958","","","","","","1.12","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014943","15.88","0.01","19.871","0.012","29.233","0.018","90","","90","","90","","9225","10","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C40 H52 Cl2 Ir2 N8 O12 -","- C40 H36 Cl2 Ir2 N8 O4 -","- C320 H288 Cl16 Ir16 N64 O32 -","8","0.25","","Davies, David L.; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Tuning emission wavelength and redox properties through position of the substituent in iridium(III) cyclometallated complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1028","1030","10.1039/c0dt01311k","","","0.71073","MoKα","","0.0445","0.0308","","","0.0777","0.0824","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7014944","9.043","0.003","14.043","0.004","14.902","0.004","63.333","0.004","85.257","0.004","84.437","0.004","1681.5","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","work","","","- C33 H38 Au N4 O5 P -","- C33 H38 Au N4 O5 P -","- C66 H76 Au2 N8 O10 P2 -","2","1","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.1191","0.0869","","","0.1701","0.1828","","","","","","1.14","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014945","8.4","0.002","10.22","0.003","11.474","0.003","72.765","0.003","72.896","0.003","78.1","0.003","891.5","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H6 Cl F12 P -","- C16 H6 Cl F12 P -","- C32 H12 Cl2 F24 P2 -","2","1","","Capel, Victoria L.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.; Zorina, Natalia V.","Stereochemically inactive lone pairs in phosphorus(iii) compounds: the characterisation of some derivatives with the 2,5-(CF(3))(2)C(6)H(3) (Ar) substituent and their complexation behaviour towards Pt(ii) species.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1808","1816","10.1039/c0dt01313g","","x-ray","0.71073","MoKα","K-L~3~","0.1108","0.0591","","","0.1085","0.1253","","","","","","1.029","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014946","16.1273","0.0003","8.2646","0.0002","25.3157","0.0005","90","","90","","90","","3374.22","0.12","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H7 F12 O P -","- C16 H7 F12 O P -","- C128 H56 F96 O8 P8 -","8","1","","Capel, Victoria L.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.; Zorina, Natalia V.","Stereochemically inactive lone pairs in phosphorus(iii) compounds: the characterisation of some derivatives with the 2,5-(CF(3))(2)C(6)H(3) (Ar) substituent and their complexation behaviour towards Pt(ii) species.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1808","1816","10.1039/c0dt01313g","","","0.71073","MoKα","","0.0433","0.0406","","","0.1079","0.11","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014947","12.8361","0.0006","16.8192","0.0008","8.1211","0.0004","90","","99.455","0.001","90","","1729.47","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 F24 O4 P2 -","- C32 H14 F23.94 O4 P2 -","- C64 H28 F47.88 O8 P4 -","2","0.5","","Capel, Victoria L.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.; Zorina, Natalia V.","Stereochemically inactive lone pairs in phosphorus(iii) compounds: the characterisation of some derivatives with the 2,5-(CF(3))(2)C(6)H(3) (Ar) substituent and their complexation behaviour towards Pt(ii) species.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1808","1816","10.1039/c0dt01313g","","x-ray","0.71073","MoKα","K-L~3~","0.0559","0.0461","","","0.112","0.118","","","","","","1.065","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014948","9.9017","0.0006","14.8952","0.0009","18.3713","0.0011","100.382","0.001","93.644","0.001","108.896","0.001","2499.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H9 F18 P -","- C24 H9 F18 P -","- C96 H36 F72 P4 -","4","2","","Capel, Victoria L.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.; Zorina, Natalia V.","Stereochemically inactive lone pairs in phosphorus(iii) compounds: the characterisation of some derivatives with the 2,5-(CF(3))(2)C(6)H(3) (Ar) substituent and their complexation behaviour towards Pt(ii) species.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1808","1816","10.1039/c0dt01313g","","x-ray","0.71073","MoKα","K-L~3~","0.082","0.0507","","","0.1052","0.1162","","","","","","1.028","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014949","14.7462","0.0009","16.4284","0.0009","21.4266","0.0012","90","","106.021","0.003","90","","4989.1","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 F18 Ir N8 O2 P3 -","- C48 H40 F18 Ir N8 O2 P3 -","- C192 H160 F72 Ir4 N32 O8 P12 -","4","0.5","","Goldstein, Daniel C.; Cheng, Yuen Yap; Schmidt, Timothy W.; Bhadbhade, Mohan; Thordarson, Pall","Photophysical properties of a new series of water soluble iridium bisterpyridine complexes functionalised at the 4' position.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2053","2061","10.1039/c0dt01317j","","","0.71073","MoKα","","0.031","0.027","","","0.0781","0.0843","","","","","","0.696","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014950","15.579","0.009","16.28","0.007","21.289","0.012","90","","104.5","0.03","90","","5227","5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H39 F18 Ir N9 O P3 -","- C45 H39 F18 Ir N9 O P3 -","- C180 H156 F72 Ir4 N36 O4 P12 -","4","0.5","","Goldstein, Daniel C.; Cheng, Yuen Yap; Schmidt, Timothy W.; Bhadbhade, Mohan; Thordarson, Pall","Photophysical properties of a new series of water soluble iridium bisterpyridine complexes functionalised at the 4' position.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2053","2061","10.1039/c0dt01317j","","","0.71073","MoKα","","0.0876","0.0519","","","0.105","0.1197","","","","","","1.023","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014951","14.7636","0.0004","16.2915","0.0005","21.4687","0.0005","90","","105.491","0.001","90","","4976.1","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H39 F18 Ir N9 O P3 -","- C47 H39 F18 Ir N9 O P3 -","- C188 H156 F72 Ir4 N36 O4 P12 -","4","0.5","","Goldstein, Daniel C.; Cheng, Yuen Yap; Schmidt, Timothy W.; Bhadbhade, Mohan; Thordarson, Pall","Photophysical properties of a new series of water soluble iridium bisterpyridine complexes functionalised at the 4' position.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2053","2061","10.1039/c0dt01317j","","","0.71073","MoKα","","0.0279","0.0242","","","0.0554","0.0569","","","","","","1.05","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014952","10.456","0.003","37.587","0.012","14.754","0.004","90","","101.04","0.005","90","","5691","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H38 Eu F6 N5 O10 S3 -","- C45.5 H32 Eu F6 N5 O10 S3 -","- C182 H128 Eu4 F24 N20 O40 S12 -","4","1","","Zhang, Xiaolin; Jiao, Yang; Jing, Xu; Wu, Hongmei; He, Guangjie; Duan, Chunying","pH-sensitive fluorescent sensors based on europium(iii) complexes","Dalton Transactions","2011","40","11","2522","","10.1039/c0dt01325k","","","0.71073","MoKα","","0.0913","0.0671","","","0.177","0.1915","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014953","30.186","0.002","10.5923","0.0007","22.4853","0.0016","90","","93.478","0.001","90","","7176.2","0.8","100","2","100","2","","","101.3","","","","","4","C 1 2/c 1","-C 2yc","15","tris(3,5-dimethylphenyl(tertbutyl)amido)-(cyano)-molybdenum","tris(3,5-dimethylphenyl(tertbutyl)amido)-(cyano)-molybdenum","","- C37 H54 Mo N4 -","- C37 H54 Mo N4 -","- C296 H432 Mo8 N32 -","8","1","","Curley, John J.; Cozzolino, Anthony F.; Cummins, Christopher C.","Nitrogen fixation to cyanide at a molybdenum center","Dalton Transactions","2011","40","11","2429","","10.1039/c0dt01326a","","x-ray","0.71073","MoKα","","0.0366","0.0287","","","0.0691","0.0745","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014954","11.6455","0.0008","25.1555","0.0017","15.647","0.001","90","","90.994","0.001","90","","4583.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Cl3 F3 Mo N4 O4 S -","- C40 H60 Cl3 F3 Mo N4 O4 S -","- C160 H240 Cl12 F12 Mo4 N16 O16 S4 -","4","1","","Curley, John J.; Cozzolino, Anthony F.; Cummins, Christopher C.","Nitrogen fixation to cyanide at a molybdenum center","Dalton Transactions","2011","40","11","2429","","10.1039/c0dt01326a","","","0.71073","MoKα","","0.0421","0.0322","","","0.0729","0.0788","","","","","","1.054","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014955","9.6203","0.0019","10.122","0.002","11.824","0.002","79.28","0.03","73.28","0.03","64.71","0.03","994.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 N3 Ni O2 -","- C20 H20 Cl2 N3 Ni O2 -","- C40 H40 Cl4 N6 Ni2 O4 -","2","1","","Liu, Hao; Zhang, Liping; Chen, Langqiu; Redshaw, Carl; Li, Yan; Sun, Wen-Hua","Synthesis, characterization and ethylene oligomerization behavior of 2-benzoimidazol-8-ethoxyquinolylnickel dihalides","Dalton Transactions","2011","40","11","2614","","10.1039/c0dt01331e","","","0.71073","MoKα","","0.0603","0.0535","","","0.1383","0.1483","","","","","","1.183","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014956","10.661","0.002","14.747","0.003","12.948","0.003","90","","95.21","0.03","90","","2027.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl3 N3 Ni O -","- C21 H20 Cl3 N3 Ni O -","- C84 H80 Cl12 N12 Ni4 O4 -","4","1","","Liu, Hao; Zhang, Liping; Chen, Langqiu; Redshaw, Carl; Li, Yan; Sun, Wen-Hua","Synthesis, characterization and ethylene oligomerization behavior of 2-benzoimidazol-8-ethoxyquinolylnickel dihalides","Dalton Transactions","2011","40","11","2614","","10.1039/c0dt01331e","","","0.71073","MoKα","","","0.0667","","","0.1583","0.1625","","","","","","1.293","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014957","9.3745","0.0019","9.859","0.002","11.024","0.002","87.77","0.03","84.15","0.03","86.62","0.03","1011.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Br2 Cl N3 Ni O -","- C20 H18 Br2 Cl N3 Ni O -","- C40 H36 Br4 Cl2 N6 Ni2 O2 -","2","1","","Liu, Hao; Zhang, Liping; Chen, Langqiu; Redshaw, Carl; Li, Yan; Sun, Wen-Hua","Synthesis, characterization and ethylene oligomerization behavior of 2-benzoimidazol-8-ethoxyquinolylnickel dihalides","Dalton Transactions","2011","40","11","2614","","10.1039/c0dt01331e","","","0.71073","MoKα","","","0.0354","","","0.0733","0.0794","","","","","","1.14","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014958","15.7127","0.0002","13.9213","0.0002","18.6454","0.0003","90","","94.2687","0.0007","90","","4067.2","0.1","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H82 Cl4 Fe4 N2 O8 P4 S4 -","- C76 H82 Cl4 Fe4 N2 O8 P4 S4 -","- C152 H164 Cl8 Fe8 N4 O16 P8 S8 -","2","0.5","","Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi","Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction","Dalton Transactions","2011","40","11","2528","","10.1039/c0dt01332c","","","0.71073","MoKα","","0.0772","0.0445","","","0.1119","0.1254","","","","","","1.001","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014959","13.288","0.0006","21.5592","0.0009","21.8668","0.0009","90","","102.76","0.001","90","","6109.7","0.5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 Cl4 Fe4 N2 O10 P2 S4 -","- C52 H58 Cl4 Fe4 N2 O10 P2 S4 -","- C208 H232 Cl16 Fe16 N8 O40 P8 S16 -","4","1","","Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi","Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction","Dalton Transactions","2011","40","11","2528","","10.1039/c0dt01332c","","","0.71073","MoKα","","0.0722","0.0557","","","0.1287","0.138","","","","","","1.068","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014960","10.632","0.0001","17.8511","0.0002","20.8444","0.0002","110.075","0.0006","96.6827","0.0006","106.159","0.0006","3469.12","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H68 Fe4 O8 P4 S4 -","- C70 H68 Fe4 O8 P4 S4 -","- C140 H136 Fe8 O16 P8 S8 -","2","1","","Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi","Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction","Dalton Transactions","2011","40","11","2528","","10.1039/c0dt01332c","","","0.71073","MoKα","","0.0491","0.0322","","","0.0749","0.0825","","","","","","1.017","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014961","17.133","0.003","13.281","0.002","23.904","0.004","90","","107.252","0.008","90","","5194.5","1.5","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C90 H108 Cl8 F6 Fe4 N2 O14 P4 S4 -","- C90 H108 Cl8 F6 Fe4 N2 O14 P4 S4 -","- C180 H216 Cl16 F12 Fe8 N4 O28 P8 S8 -","2","0.5","","Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi","Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction","Dalton Transactions","2011","40","11","2528","","10.1039/c0dt01332c","","","0.71073","MoKα","","0.1806","0.092","","","0.2289","0.2928","","","","","","1.031","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014962","16.4839","0.0005","17.0452","0.0005","21.2654","0.0004","94.232","0.0002","108.732","0.0014","113.541","0.0011","5045.1","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C87.5 H103 Cl3 F6 Fe4 N4 O15 P4 S6 -","- C87.5 H103 Cl3 F6 Fe4 N4 O15 P4 S6 -","- C175 H206 Cl6 F12 Fe8 N8 O30 P8 S12 -","2","1","","Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi","Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction","Dalton Transactions","2011","40","11","2528","","10.1039/c0dt01332c","","","0.71073","MoKα","","0.1789","0.1006","","","0.2871","0.3409","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014963","15.5258","0.0004","15.5258","0.0004","33.505","0.0008","90","","90","","90","","8076.4","0.4","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C78 H86 Fe4 N2 O9 P4 S4 -","- C78 H86 Fe4 N2 O9 P4 S4 -","- C312 H344 Fe16 N8 O36 P16 S16 -","4","0.5","","Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi","Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction","Dalton Transactions","2011","40","11","2528","","10.1039/c0dt01332c","","","0.71073","MoKα","","0.0706","0.0487","","","0.1344","0.1466","","","","","","1.068","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014964","37.7214","0.0007","13.5805","0.0003","21.1039","0.0004","90","","123.261","0.0012","90","","9040","0.3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C88 H106 Fe4 N2 O12 P4 S4 -","- C88 H106 Fe4 N2 O12 P4 S4 -","- C352 H424 Fe16 N8 O48 P16 S16 -","4","1","","Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi","Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction","Dalton Transactions","2011","40","11","2528","","10.1039/c0dt01332c","","","0.71073","MoKα","","0.0862","0.0511","","","0.1119","0.1279","","","","","","1.03","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014965","8.023","0.001","11.997","0.0016","19.429","0.002","90","","90","","90","","1870.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Co F6 O6 -","- C15 H15 Co F6 O6 -","- C60 H60 Co4 F24 O24 -","4","1","","Sato, Hisako; Uno, Hidemitsu; Nakano, Haruyuki","Identification of geometrical isomers using vibrational circular dichroism spectroscopy: a series of mixed-ligand complexes of diamagnetic Co(III) ions.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1332","1337","10.1039/c0dt01342k","","","0.7107","MoKα","","0.1075","0.0735","","","0.1588","0.2031","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014966","8.8879","0.0012","8.3485","0.0011","20.363","0.003","90","","93.057","0.002","90","","1508.8","0.4","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Co N4 O2 -","- C34 H38 Co N4 O2 -","- C68 H76 Co2 N8 O4 -","2","0.5","","Cibian, Mihaela; Derossi, Sofia; Hanan, Garry S.","Synthesis and crystal structure of a rare square-planar Co(II) complex of a hydroxyamidinate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1038","1040","10.1039/c0dt01365j","","","0.71073","MoKα","","0.0512","0.0367","","","0.1008","0.1066","","","","","","0.975","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014967","10.3179","0.0019","29.712","0.005","14.5167","0.0019","90","","125.309","0.008","90","","3631.7","1.1","200","","200","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H43 Co N5 O2 -","- C39 H43 Co N5 O2 -","- C156 H172 Co4 N20 O8 -","4","0.5","","Cibian, Mihaela; Derossi, Sofia; Hanan, Garry S.","Synthesis and crystal structure of a rare square-planar Co(II) complex of a hydroxyamidinate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1038","1040","10.1039/c0dt01365j","","","0.71073","MoKα","","0.1169","0.0587","","","0.1475","0.1744","","","","","","1.042","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014968","18.466","0.009","10.009","0.005","18.204","0.01","90","","105.668","0.013","90","","3240","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 Ir N4 O2 -","- C40 H31 Ir N4 O2 -","- C160 H124 Ir4 N16 O8 -","4","1","","Wu, Huazhou; Yang, Tianshe; Zhao, Qiang; Zhou, Jing; Li, Chunyan; Li, Fuyou","A cyclometalated iridium(iii) complex with enhanced phosphorescence emission in the solid state (EPESS): synthesis, characterization and its application in bioimaging.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1969","1976","10.1039/c0dt01366h","","","0.71073","MoKα","","0.0646","0.0366","","","0.0724","0.081","","","","","","0.813","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014969","12.577","0.003","11.248","0.002","27.694","0.006","90","","95.95","0.03","90","","3896.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Cl4 Ir N4 O2 -","- C41 H33 Cl4 Ir N4 O2 -","- C164 H132 Cl16 Ir4 N16 O8 -","4","1","","Wu, Huazhou; Yang, Tianshe; Zhao, Qiang; Zhou, Jing; Li, Chunyan; Li, Fuyou","A cyclometalated iridium(iii) complex with enhanced phosphorescence emission in the solid state (EPESS): synthesis, characterization and its application in bioimaging.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1969","1976","10.1039/c0dt01366h","","","0.71073","MoKα","","0.0646","0.0372","","","0.0672","0.0723","","","","","","0.885","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014970","12.798","0.002","13.354","0.002","13.476","0.002","74.497","0.003","63.096","0.002","69.015","0.003","1902.2","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H41 Cl N3 O8 Os P -","- C39 H41 Cl N3 O8 Os P -","- C78 H82 Cl2 N6 O16 Os2 P2 -","2","1","","Chen, Gui; Man, Wai-Lun; Yiu, Shek-Man; Wong, Tsz-Wing; Szeto, Lap; Wong, Wing-Tak; Lau, Tai-Chu","Binuclear (salen)osmium phosphinidine and phosphiniminato complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1938","1944","10.1039/c0dt01367f","","","0.71073","MoKα","","0.0494","0.0357","","","0.0788","0.0837","","","","","","0.978","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014971","11.4181","0.0002","19.5201","0.0004","18.4402","0.0004","90","","104.891","0.002","90","","3971.97","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 F6 N5 O2 Os P2 -","- C42 H40 F6 N5 O2 Os P2 -","- C168 H160 F24 N20 O8 Os4 P8 -","4","1","","Chen, Gui; Man, Wai-Lun; Yiu, Shek-Man; Wong, Tsz-Wing; Szeto, Lap; Wong, Wing-Tak; Lau, Tai-Chu","Binuclear (salen)osmium phosphinidine and phosphiniminato complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1938","1944","10.1039/c0dt01367f","","","0.71073","MoKα","","0.0449","0.0277","","","0.0603","0.0631","","","","","","0.953","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014972","14.2178","0.0003","14.952","0.0003","20.6258","0.0005","69.1705","0.0019","84.0361","0.0017","68.108","0.0018","3800.55","0.16","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C77.5 H75 Cl3 F12 N6 O5 Os2 P4 -","- C77.5 H74 Cl3 F12 N6 O5 Os2 P4 -","- C155 H148 Cl6 F24 N12 O10 Os4 P8 -","2","1","","Chen, Gui; Man, Wai-Lun; Yiu, Shek-Man; Wong, Tsz-Wing; Szeto, Lap; Wong, Wing-Tak; Lau, Tai-Chu","Binuclear (salen)osmium phosphinidine and phosphiniminato complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1938","1944","10.1039/c0dt01367f","","","1.5418","CuKα","","0.0588","0.0455","","","0.1162","0.1215","","","","","","0.968","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014973","21.63349","0.00015","23.90315","0.00017","15.8906","0.00013","90","","90.6675","0.0008","90","","8216.61","0.11","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C81.75 H80 Cl3.5 F12 N8 O4.25 Os2 P4 -","- C81.75 H79.5 Cl3.5 F12 N8 O4.25 Os2 P4 -","- C327 H318 Cl14 F48 N32 O17 Os8 P16 -","4","1","","Chen, Gui; Man, Wai-Lun; Yiu, Shek-Man; Wong, Tsz-Wing; Szeto, Lap; Wong, Wing-Tak; Lau, Tai-Chu","Binuclear (salen)osmium phosphinidine and phosphiniminato complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1938","1944","10.1039/c0dt01367f","","","1.5418","CuKα","","0.0442","0.0362","","","0.0861","0.0889","","","","","","1.082","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014974","19.3433","0.0004","16.2405","0.0003","25.737","0.0005","90","","105.477","0.002","90","","7792","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H75.5 F12 N8.5 O6 Os2 P4 -","- C73 H75.5 F12 N8.5 O6 Os2 P4 -","- C292 H302 F48 N34 O24 Os8 P16 -","4","1","","Chen, Gui; Man, Wai-Lun; Yiu, Shek-Man; Wong, Tsz-Wing; Szeto, Lap; Wong, Wing-Tak; Lau, Tai-Chu","Binuclear (salen)osmium phosphinidine and phosphiniminato complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1938","1944","10.1039/c0dt01367f","","","0.71073","MoKα","","0.0723","0.0353","","","0.0648","0.0696","","","","","","0.97","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014975","11.698","0.004","12.23","0.004","13.216","0.004","85.212","0.006","69.354","0.005","64.352","0.005","1589.6","0.9","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H56 Cl2 Fe N6 O4 Os2 P2 -","- C74 H56 Cl2 Fe N6 O4 Os2 P2 -","- C74 H56 Cl2 Fe N6 O4 Os2 P2 -","1","0.5","","Chen, Gui; Man, Wai-Lun; Yiu, Shek-Man; Wong, Tsz-Wing; Szeto, Lap; Wong, Wing-Tak; Lau, Tai-Chu","Binuclear (salen)osmium phosphinidine and phosphiniminato complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1938","1944","10.1039/c0dt01367f","","","0.71073","MoKα","","0.0513","0.0367","","","0.0792","0.0836","","","","","","0.968","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014976","6.2517","0.0002","11.4326","0.0004","24.1372","0.0009","90","","90","","90","","1725.16","0.1","165","2","165","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Ag N O6 S -","- C17 H22 Ag N O6 S -","- C68 H88 Ag4 N4 O24 S4 -","4","1","","Guo, Peng","Three 2D Ag(I)-framework isomers with helical structures controlled by the chirality of camphor-10-sulfonic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1716","1721","10.1039/c0dt01384f","","","0.71073","MoKα","","0.0215","0.0205","","","0.0509","0.0514","","","","","","1.076","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014977","15.1059","0.0007","6.1847","0.0003","18.7605","0.0009","90","","97.099","0.001","90","","1739.27","0.14","165","2","165","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Ag N O6 S -","- C17 H22 Ag N O6 S -","- C68 H88 Ag4 N4 O24 S4 -","4","1","","Guo, Peng","Three 2D Ag(I)-framework isomers with helical structures controlled by the chirality of camphor-10-sulfonic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1716","1721","10.1039/c0dt01384f","","","0.71073","MoKα","","0.0389","0.028","","","0.0664","0.0714","","","","","","1.042","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014978","6.2347","0.0004","11.4209","0.0007","24.0805","0.0015","90","","90","","90","","1714.67","0.19","165","2","165","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Ag N O6 S -","- C17 H22 Ag N O6 S -","- C68 H88 Ag4 N4 O24 S4 -","4","1","","Guo, Peng","Three 2D Ag(I)-framework isomers with helical structures controlled by the chirality of camphor-10-sulfonic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1716","1721","10.1039/c0dt01384f","","","0.71073","MoKα","","0.036","0.0299","","","0.0541","0.0565","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014979","8.3577","0.0002","8.4155","0.0002","18.1329","0.0005","97.089","0.001","98.188","0.001","118.421","0.001","1083.11","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H32 Cr N2 -","- C23 H32 Cr N2 -","- C46 H64 Cr2 N4 -","2","1","","Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.","Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","337","339","10.1039/c0dt01399d","","","0.71073","MoKα","","0.0375","0.0294","","","0.0715","0.0761","","","","","","1.023","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014980","19.6228","0.0014","7.4584","0.0006","20.531","0.0016","90","","98.57","0.004","90","","2971.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cr I O2 -","- C15 H14 Cr I O2 -","- C120 H112 Cr8 I8 O16 -","8","2","","Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.","Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","337","339","10.1039/c0dt01399d","","","0.71073","MoKα","","0.0511","0.0305","","","0.0579","0.0643","","","","","","1.008","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014981","8.981","0.0008","10.443","0.0009","12.6068","0.0011","92.002","0.004","107.735","0.004","91.342","0.005","1124.77","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cr I N O -","- C24 H27 Cr I N O -","- C48 H54 Cr2 I2 N2 O2 -","2","1","","Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.","Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","337","339","10.1039/c0dt01399d","","","0.71069","MoKα","","0.0328","0.027","","","0.0719","0.0757","","","","","","1.11","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014982","13.518","0.009","16.712","0.008","21.148","0.016","90","","90","","90","","4778","5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Cr F3 N O4 S -","- C24 H23 Cr F3 N O4 S -","- C192 H184 Cr8 F24 N8 O32 S8 -","8","1","","Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.","Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","337","339","10.1039/c0dt01399d","","","0.71073","MoKα","","0.05","0.032","","","0.0772","0.0873","","","","","","1.056","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014983","14.3796","0.0011","15.9373","0.0012","18.4488","0.0013","90","","90","","90","","4227.9","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H32 Cr N2 -","- C23 H32 Cr N2 -","- C184 H256 Cr8 N16 -","8","1","","Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.","Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","337","339","10.1039/c0dt01399d","","","0.71073","MoKα","","0.0726","0.0371","","","0.0885","0.1059","","","","","","1.035","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014984","11.5521","0.0005","13.9206","0.0005","14.6207","0.0006","90","","110.507","0.001","90","","2202.19","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 Cr I N2 -","- C23 H32 Cr I N2 -","- C92 H128 Cr4 I4 N8 -","4","1","","Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.","Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","337","339","10.1039/c0dt01399d","","","0.71073","MoKα","","0.0254","0.0217","","","0.0519","0.0537","","","","","","1.058","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014985","8.3398","0.0008","11.887","0.0012","12.6085","0.0012","94.928","0.005","93.544","0.004","108.619","0.005","1174.9","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 Cr2 -","- C28 H32 Cr2 -","- C56 H64 Cr4 -","2","1","","Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.","Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","337","339","10.1039/c0dt01399d","","","0.71073","MoKα","","0.0466","0.0394","","","0.0996","0.1025","","","","","","1.186","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014986","19.2547","0.0005","20.3882","0.0005","14.5824","0.0004","90","","100.886","0.002","90","","5621.6","0.3","140","1","140","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.4 H37 Cu F18 N2 P2 -","- C61.4 H37 Cu F18 N2 P2 -","- C245.6 H148 Cu4 F72 N8 P8 -","4","0.5","","Carrera, Nora; Savjani, Nicky; Simpson, Jason; Hughes, David L.; Bochmann, Manfred","Syntheses and structures of thermally stable diketiminato complexes of gold and copper.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1016","1019","10.1039/c0dt01422b","","","0.71073","Mo-Kα","","0.0582","0.0356","","","0.0833","0.0873","","","","","","0.924","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014987","18.0973","0.0013","7.9809","0.0005","15.6913","0.001","90","","92.109","0.006","90","","2264.8","0.3","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H8 F18 N2 -","- C21 H8 F18 N2 -","- C84 H32 F72 N8 -","4","0.5","","Carrera, Nora; Savjani, Nicky; Simpson, Jason; Hughes, David L.; Bochmann, Manfred","Syntheses and structures of thermally stable diketiminato complexes of gold and copper.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1016","1019","10.1039/c0dt01422b","","","0.71073","Mo-Kα","","0.0758","0.0429","","","0.1006","0.1085","","","","","","0.977","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014988","19.7418","0.0005","16.0248","0.0004","25.9858","0.0009","90","","111.892","0.003","90","","7628","0.4","140","1","140","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H22 Au F18 N2 P -","- C39 H22 Au F18 N2 P -","- C312 H176 Au8 F144 N16 P8 -","8","1","","Carrera, Nora; Savjani, Nicky; Simpson, Jason; Hughes, David L.; Bochmann, Manfred","Syntheses and structures of thermally stable diketiminato complexes of gold and copper.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1016","1019","10.1039/c0dt01422b","","","0.71073","Mo-Kα","","0.0766","0.0457","","","0.098","0.1049","","","","","","1.023","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014989","10.0942","0.001","16.6159","0.0013","13.3973","0.0013","90","","101.878","0.003","90","","2198.9","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H64 Ce2 N16 Se8 Sn2 -","- C16 H64 Ce2 N16 Se8 Sn2 -","- C32 H128 Ce4 N32 Se16 Sn4 -","2","0.5","","Liang, Jingjing; Chen, Jiangfang; Zhao, Jing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effects of lanthanide metal size and amino ligand denticity on the solvothermal systems Ln/Sn/Se/en and Ln/Sn/Se/dien (Ln = lanthanide)","Dalton Transactions","2011","40","11","2631","","10.1039/c0dt01424a","","","0.71073","MoKα","","0.0317","0.025","","","0.0571","0.0591","","","","","","1.032","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014990","10.1968","0.0011","11.7622","0.0009","15.4969","0.0016","90","","98.967","0.003","90","","1835.9","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H50 N12 O2 Pr2 Se6 Sn2 -","- C12 H44 N12 O2 Pr2 Se6 Sn2 -","- C24 H88 N24 O4 Pr4 Se12 Sn4 -","2","0.5","","Liang, Jingjing; Chen, Jiangfang; Zhao, Jing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effects of lanthanide metal size and amino ligand denticity on the solvothermal systems Ln/Sn/Se/en and Ln/Sn/Se/dien (Ln = lanthanide)","Dalton Transactions","2011","40","11","2631","","10.1039/c0dt01424a","","","0.71073","MoKα","","0.0299","0.0235","","","0.0588","0.0606","","","","","","1.12","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014991","10.1764","0.0018","11.7725","0.0019","15.47","0.003","90","","99.128","0.004","90","","1829.9","0.6","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H50 N12 Nd2 O2 Se6 Sn2 -","- C12 H38 N12 Nd2 O2 Se6 Sn2 -","- C24 H76 N24 Nd4 O4 Se12 Sn4 -","2","0.5","","Liang, Jingjing; Chen, Jiangfang; Zhao, Jing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effects of lanthanide metal size and amino ligand denticity on the solvothermal systems Ln/Sn/Se/en and Ln/Sn/Se/dien (Ln = lanthanide)","Dalton Transactions","2011","40","11","2631","","10.1039/c0dt01424a","","","0.71073","MoKα","","0.081","0.0609","","","0.169","0.1822","","","","","","1.091","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014992","9.9927","0.0013","11.8421","0.0015","15.313","0.002","90","","99.979","0.003","90","","1784.6","0.4","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H50 Gd2 N12 O2 Se6 Sn2 -","- C12 H42 Gd2 N12 O2 Se6 Sn2 -","- C24 H84 Gd4 N24 O4 Se12 Sn4 -","2","0.5","","Liang, Jingjing; Chen, Jiangfang; Zhao, Jing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effects of lanthanide metal size and amino ligand denticity on the solvothermal systems Ln/Sn/Se/en and Ln/Sn/Se/dien (Ln = lanthanide)","Dalton Transactions","2011","40","11","2631","","10.1039/c0dt01424a","","","0.71073","MoKα","","0.0351","0.0307","","","0.0634","0.0654","","","","","","1.148","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014993","10.2333","0.0006","13.079","0.0009","15.7663","0.0009","80.422","0.004","73.738","0.003","88.376","0.004","1997.1","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H104 Ce4 N24 Se15 Sn4 -","- C32 H104 Ce4 N24 Se15 Sn4 -","- C32 H104 Ce4 N24 Se15 Sn4 -","1","0.5","","Liang, Jingjing; Chen, Jiangfang; Zhao, Jing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effects of lanthanide metal size and amino ligand denticity on the solvothermal systems Ln/Sn/Se/en and Ln/Sn/Se/dien (Ln = lanthanide)","Dalton Transactions","2011","40","11","2631","","10.1039/c0dt01424a","","","0.71073","MoKα","","0.0531","0.0399","","","0.073","0.0771","","","","","","0.938","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014994","10.1844","0.0011","12.9795","0.0017","15.751","0.0016","80.448","0.006","73.991","0.006","88.552","0.007","1973.1","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H104 N24 Nd4 Se15 Sn4 -","- C32 H104 N24 Nd4 Se15 Sn4 -","- C32 H104 N24 Nd4 Se15 Sn4 -","1","0.5","","Liang, Jingjing; Chen, Jiangfang; Zhao, Jing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effects of lanthanide metal size and amino ligand denticity on the solvothermal systems Ln/Sn/Se/en and Ln/Sn/Se/dien (Ln = lanthanide)","Dalton Transactions","2011","40","11","2631","","10.1039/c0dt01424a","","","0.71073","MoKα","","0.0525","0.0371","","","0.0695","0.0731","","","","","","0.916","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014995","10.3004","0.0015","9.4257","0.0011","13.875","0.002","90","","101.678","0.004","90","","1319.2","0.3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H40 Gd N9 Se4 Sn -","- C12 H26 Gd N9 Se4 Sn -","- C24 H52 Gd2 N18 Se8 Sn2 -","2","0.5","","Liang, Jingjing; Chen, Jiangfang; Zhao, Jing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effects of lanthanide metal size and amino ligand denticity on the solvothermal systems Ln/Sn/Se/en and Ln/Sn/Se/dien (Ln = lanthanide)","Dalton Transactions","2011","40","11","2631","","10.1039/c0dt01424a","","","0.71073","MoKα","","0.0393","0.0308","","","0.0772","0.081","","","","","","1.052","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014996","13.0861","0.0002","8.07835","0.0001","15.9059","0.0003","90","","111.752","0.0019","90","","1561.75","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl3 F N Pt -","- C15 H15 Cl3 F N Pt -","- C60 H60 Cl12 F4 N4 Pt4 -","4","1","","Crosby, Sarah H.; Deeth, Robert J.; Clarkson, Guy J.; Rourke, Jonathan P.","Platinum(IV) centres with agostic interactions from either sp² or sp³ C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1227","1229","10.1039/c0dt01428a","","","0.71073","MoKα","","0.027","0.0204","","","0.042","0.0428","","","","","","0.972","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014997","10.608","0.002","10.799","0.002","32.098","0.006","90","","96.47","0.03","90","","3653.6","1.2","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(iPr2Im)1(SiHPh2)2Ni(ii)","(iPr2Im)1(SiHPh2)2Ni(II)","","- C34 H56 N4 Ni O Si2 -","- C34 H56 N4 Ni O Si2 -","- C136 H224 N16 Ni4 O4 Si8 -","4","1","","Zell, Thomas; Schaub, Thomas; Radacki, Krzysztof; Radius, Udo","Si-H Activation of hydrosilanes leading to hydrido silyl and bis(silyl) nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1852","1854","10.1039/c0dt01442g","","","0.71073","MoKα","","0.0731","0.056","","","0.151","0.1787","","","","","","1.142","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014998","9.8713","0.0008","28.291","0.002","11.4697","0.0009","90","","105.117","0.002","90","","3092.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(iPr2Im)1(SiMePh2)(H)Ni(ii)","(iPr2Im)1(SiMePh2)(H)Ni(II)","","- C31 H46 N4 Ni Si -","- C31 H46 N4 Ni Si -","- C124 H184 N16 Ni4 Si4 -","4","1","","Zell, Thomas; Schaub, Thomas; Radacki, Krzysztof; Radius, Udo","Si-H Activation of hydrosilanes leading to hydrido silyl and bis(silyl) nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1852","1854","10.1039/c0dt01442g","","","0.71073","MoKα","","0.0303","0.0268","","","0.0685","0.0707","","","","","","1.049","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014999","23.756","0.004","14.302","0.002","12.3243","0.0019","90","","92.207","0.002","90","","4184.2","1.1","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- B6 H35 Mn3 N6 O43 P9 -","- B6 H3 Mn3 N6 O43 P9 -","- B24 H12 Mn12 N24 O172 P36 -","4","1","","Yang, Weiting; Li, Jiyang; Na, Tianyi; Xu, Jin; Wang, Lei; Yu, Jihong; Xu, Ruren","(NH4)6[Mn3B6P9O36(OH)3]·4H2O: A new open-framework manganese borophosphate synthesized by using boric acid flux method","Dalton Transactions","2011","40","11","2549","","10.1039/c0dt01475c","","","0.71073","MoKα","","0.0625","0.0588","","","0.1583","0.1625","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015000","9.2548","0.0004","13.447","0.0009","15.312","0.0009","87.438","0.003","86.721","0.004","88.908","0.004","1900.29","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Cr O6 P -","- C17 H19 Cr O6 P -","- C68 H76 Cr4 O24 P4 -","4","2","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0948","0.0572","","","0.137","0.1496","","","","","","1.03","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015001","9.3112","0.0003","13.6564","0.0003","15.4475","0.0003","87.2385","0.0015","86.4875","0.0015","89.1165","0.0013","1958.15","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Mo O6 P -","- C17 H19 Mo O6 P -","- C68 H76 Mo4 O24 P4 -","4","2","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0474","0.0288","","","0.0548","0.0587","","","","","","0.937","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015002","8.6335","0.0004","10.2535","0.0005","11.938","0.0006","94.29","0.002","96.136","0.002","90.618","0.002","1047.61","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Cr O6 P -","- C19 H23 Cr O6 P -","- C38 H46 Cr2 O12 P2 -","2","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0597","0.0584","","","0.1421","0.143","","","","","","1.067","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015003","10.618","0.0003","12.6169","0.0004","16.8383","0.0005","90.3709","0.0016","106.219","0.0015","101.549","0.0018","2117.46","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Cr O6 P -","- C19 H23 Cr O6 P -","- C76 H92 Cr4 O24 P4 -","4","2","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0623","0.0477","","","0.121","0.1286","","","","","","1.043","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015004","9.5334","0.0003","10.1367","0.0004","13.1037","0.0005","101.172","0.002","110.283","0.002","102.683","0.002","1107.27","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Cr O6 P -","- C22 H21 Cr O6 P -","- C44 H42 Cr2 O12 P2 -","2","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0403","0.0341","","","0.0928","0.0962","","","","","","1.059","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015005","8.7299","0.0004","10.5893","0.0005","11.8257","0.0006","85.069","0.003","83.532","0.003","89.728","0.003","1082.22","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Cr O6 P -","- C20 H25 Cr O6 P -","- C40 H50 Cr2 O12 P2 -","2","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0765","0.0493","","","0.1104","0.1201","","","","","","0.989","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015006","9.2872","0.0003","18.4261","0.0008","13.4718","0.0004","90","","91.258","0.002","90","","2304.83","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Cr O6 P Si2 -","- C16 H27 Cr O6 P Si2 -","- C64 H108 Cr4 O24 P4 Si8 -","4","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0546","0.033","","","0.0718","0.0775","","","","","","0.946","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015007","8.8967","0.0006","10.5532","0.0006","13.9398","0.0009","86.974","0.005","88.606","0.005","67.43","0.005","1206.85","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H25 Cr O6 P Si2 -","- C19 H25 Cr O6 P Si2 -","- C38 H50 Cr2 O12 P2 Si4 -","2","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.1181","0.0586","","","0.1319","0.15","","","","","","0.854","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015008","9.6685","0.0006","11.1803","0.0006","22.454","0.0012","90","","91.611","0.003","90","","2426.2","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Mo O6 P Si2 -","- C16 H27 Mo O6 P Si2 -","- C64 H108 Mo4 O24 P4 Si8 -","4","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0804","0.0495","","","0.1149","0.1221","","","","","","1.21","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015009","8.8987","0.0002","10.6956","0.0003","13.9288","0.0005","87.1032","0.0012","88.3077","0.0013","68.9673","0.0017","1235.7","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H25 Mo O6 P Si2 -","- C19 H25 Mo O6 P Si2 -","- C38 H50 Mo2 O12 P2 Si4 -","2","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0715","0.0377","","","0.0549","0.0606","","","","","","0.886","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015010","9.5254","0.0002","18.8531","0.0007","13.6767","0.0003","90","","91.3656","0.0015","90","","2455.41","0.12","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Mo O6 P Si2 -","- C17 H29 Mo O6 P Si2 -","- C68 H116 Mo4 O24 P4 Si8 -","4","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0303","0.0231","","","0.0559","0.0581","","","","","","1.043","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015011","9.4496","0.0003","10.3509","0.0003","13.0818","0.0004","101.544","0.002","109.683","0.002","102.938","0.002","1120.03","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Mo O6 P -","- C22 H21 Mo O6 P -","- C44 H42 Mo2 O12 P2 -","2","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0309","0.0252","","","0.0592","0.0618","","","","","","1.036","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015012","8.7742","0.0004","10.7422","0.0004","11.7769","0.0005","85.712","0.002","84.477","0.002","89.652","0.002","1101.78","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Mo O6 P -","- C20 H25 Mo O6 P -","- C40 H50 Mo2 O12 P2 -","2","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0242","0.0233","","","0.0571","0.058","","","","","","1.049","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015013","17.0457","0.0009","9.8476","0.0004","14.5174","0.0009","90","","109.103","0.003","90","","2302.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl Cr O6 P -","- C22 H22 Cl Cr O6 P -","- C88 H88 Cl4 Cr4 O24 P4 -","4","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.0735","0.0387","","","0.079","0.0883","","","","","","0.942","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015014","17.3419","0.0014","9.871","0.0009","14.7056","0.001","90","","109.209","0.005","90","","2377.2","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl Mo O6 P -","- C22 H22 Cl Mo O6 P -","- C88 H88 Cl4 Mo4 O24 P4 -","4","1","","Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer","First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions","Dalton Transactions","2011","40","11","2654","","10.1039/c0dt01509a","","","0.71073","MoKα","","0.1124","0.0437","","","0.0837","0.1008","","","","","","0.912","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015015","16.5179","0.0005","18.8624","0.0006","24.3868","0.0007","97.653","0.003","98.711","0.003","109.593","0.003","6936.2","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.6 H28.4 F6 N2 O7 Rh Sb -","- C12 H6 F6 N2 O4 Rh Sb -","- C120 H60 F60 N20 O40 Rh10 Sb10 -","10","5","","Conifer, Christopher M.; Taylor, Russell A.; Law, David J.; Sunley, Glenn J.; White, Andrew J. P.; Britovsek, George J. P.","First metal complexes of 6,6'-dihydroxy-2,2'-bipyridine: from molecular wires to applications in carbonylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1031","1033","10.1039/c0dt01526a","","","1.54184","CuKα","","0.0975","0.0507","","","0.1193","0.1305","","","","","","0.785","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015016","16.193","0.002","12.7858","0.0018","31.398","0.005","90","","104.475","0.002","90","","6294.3","1.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","09179m","","","- C21 H47 Cl F3 Fe P5 Si -","- C21 H47 Cl F3 Fe P5 Si -","- C168 H376 Cl8 F24 Fe8 P40 Si8 -","8","2","","Thoreson, Kristen A.; McNeill, Kristopher","Vicinal dichlorine elimination at dichloroalkenes promoted by a well-defined iron(0) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1646","1648","10.1039/c0dt01532f","","","0.71073","MoKα","","0.0849","0.0633","","","0.1654","0.1778","","","","","","1.021","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015017","9.2709","0.0011","17.719","0.002","21.296","0.002","90","","90","","90","","3498.3","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H51 N2 O Si2 Y -","- C31 H51 N2 O Si2 Y -","- C124 H204 N8 O4 Si8 Y4 -","4","1","","Lu, Erli; Gan, Wei; Chen, Yaofeng","Monoalkyl and monoanilide yttrium complexes containing tridentate pyridyl-1-azaallyl dianionic ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2366","2374","10.1039/c0dt01539c","","","0.71073","MoKα","","0.1015","0.042","","","0.0722","0.0841","","","","","","0.863","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015018","12.1821","0.0011","13.4126","0.0012","20.8185","0.0018","90","","95.134","0.002","90","","3388","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 N2 O Si Y -","- C34 H47 N2 O Si Y -","- C136 H188 N8 O4 Si4 Y4 -","4","1","","Lu, Erli; Gan, Wei; Chen, Yaofeng","Monoalkyl and monoanilide yttrium complexes containing tridentate pyridyl-1-azaallyl dianionic ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2366","2374","10.1039/c0dt01539c","","","0.71073","MoKα","","0.126","0.0453","","","0.0712","0.0801","","","","","","0.835","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015019","9.6805","0.0011","17.37","0.0019","11.7004","0.0013","90","","98.877","0.002","90","","1943.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H54 N3 O Y -","- C42 H54 N3 O Y -","- C84 H108 N6 O2 Y2 -","2","1","","Lu, Erli; Gan, Wei; Chen, Yaofeng","Monoalkyl and monoanilide yttrium complexes containing tridentate pyridyl-1-azaallyl dianionic ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2366","2374","10.1039/c0dt01539c","","","0.71073","MoKα","","0.0851","0.0503","","","0.0996","0.1071","","","","","","0.821","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015020","23.224","0.006","16.478","0.005","31.844","0.009","90","","96.782","0.003","90","","12101","6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H91 N4 O8 Ti2 -","- C59 H91 N4 O8 Ti2 -","- C472 H728 N32 O64 Ti16 -","8","2","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2033","2037","10.1039/c0dt01542c","","","0.6889","Synchrotron","","0.1017","0.0727","","","0.18","0.2005","","","","","","1.061","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015021","9.596","0.0005","23.189","0.0014","11.421","0.0008","90","","91.398","0.003","90","","2540.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 N2 O8 Ti2 -","- C46 H82 N2 O8 Ti2 -","- C92 H164 N4 O16 Ti4 -","2","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2033","2037","10.1039/c0dt01542c","","","0.71073","MoKα","","0.0852","0.0572","","","0.1373","0.1525","","","","","","1.049","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015022","10.826","0.0006","18.893","0.0009","14.533","0.001","90","","104.05","0.002","90","","2883.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H94 N2 O8 Ti2 -","- C52 H94 N2 O8 Ti2 -","- C104 H188 N4 O16 Ti4 -","2","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2033","2037","10.1039/c0dt01542c","","","0.71073","MoKα","","0.0682","0.0434","","","0.0873","0.0985","","","","","","1.064","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015023","9.441","0.0003","10.011","0.0003","15.158","0.0005","79.509","0.001","84.676","0.001","87.797","0.001","1402.28","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H96 N2 O8 Ti2 -","- C52 H96 N2 O8 Ti2 -","- C52 H96 N2 O8 Ti2 -","1","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2033","2037","10.1039/c0dt01542c","","","0.71073","MoKα","","0.0796","0.0599","","","0.1525","0.1701","","","","","","1.025","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015024","11.045","0.001","13.255","0.0011","13.914","0.0014","115.99","0.005","109.683","0.005","91.805","0.005","1685","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H116 N2 O8 Ti2 -","- C62 H116 N2 O8 Ti2 -","- C62 H116 N2 O8 Ti2 -","1","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2033","2037","10.1039/c0dt01542c","","","0.71073","MoKα","","0.0903","0.059","","","0.1504","0.1713","","","","","","1.017","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015025","9.246","0.0001","24.306","0.0003","26.284","0.0003","90","","91.599","0.001","90","","5904.59","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H96 N2 O8 Ti2 -","- C53 H94 N2 O8 Ti2 -","- C212 H376 N8 O32 Ti8 -","4","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2033","2037","10.1039/c0dt01542c","","","0.71073","MoKα","","0.1055","0.0851","","","0.2225","0.2403","","","","","","1.049","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015026","9.414","0.0004","9.925","0.0004","13.971","0.0012","92.55","0.002","94.487","0.001","92.879","0.003","1298.18","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H83 N2 O8 Ti2 -","- C47 H83 N2 O8 Ti2 -","- C47 H83 N2 O8 Ti2 -","1","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2033","2037","10.1039/c0dt01542c","","","0.71073","MoKα","","0.0677","0.0604","","","0.1663","0.1747","","","","","","1.137","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015027","14.222","0.0003","15.374","0.0004","17.408","0.0004","69.625","0.001","89.943","0.002","62.866","0.001","3118.09","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H103 N2 O8 Ti2 -","- C56 H103 N2 O8 Ti2 -","- C112 H206 N4 O16 Ti4 -","2","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2033","2037","10.1039/c0dt01542c","","","0.71073","MoKα","","0.0976","0.0607","","","0.1579","0.1847","","","","","","1.006","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015028","8.496","0.0003","12.883","0.0003","8.996","0.0003","90","","102.393","0.002","90","","961.7","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C44 H60 N4 O4 -","2","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Crystallographic characterisation of Ti(iv) piperazine complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2033","2037","10.1039/c0dt01542c","","","0.71073","mokα","","0.06","0.044","","","0.1186","0.1293","","","","","","1.04","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015029","11.618","0.002","11.666","0.002","13.214","0.003","88.508","0.002","71.869","0.002","69.296","0.002","1585","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cl2 Mn N8 O8 -","- C24 H32 Cl2 Mn N8 O8 -","- C48 H64 Cl4 Mn2 N16 O16 -","2","1","","Geiger, Robert A.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A.","Nucleophilic reactivity of a series of peroxomanganese(iii) complexes supported by tetradentate aminopyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1707","1715","10.1039/c0dt01570a","","","0.71073","MoKα","","0.0728","0.0589","","","0.1607","0.1699","","","","","","1.071","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015030","16.801","0.007","8.582","0.004","19.054","0.008","90","","99.02","0.007","90","","2713","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 F6 Mn N4 O6 S2 -","- C21 H26 F6 Mn N4 O6 S2 -","- C84 H104 F24 Mn4 N16 O24 S8 -","4","1","","Geiger, Robert A.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A.","Nucleophilic reactivity of a series of peroxomanganese(iii) complexes supported by tetradentate aminopyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1707","1715","10.1039/c0dt01570a","","","0.71073","MoKα","","0.05","0.0431","","","0.1146","0.1175","","","","","","1.082","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015031","9.0119","0.0017","8.3049","0.0015","34.494","0.006","90","","92.618","0.003","90","","2578.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl2 Mn N4 O8 -","- C25 H26 Cl2 Mn N4 O8 -","- C100 H104 Cl8 Mn4 N16 O32 -","4","1","","Geiger, Robert A.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A.","Nucleophilic reactivity of a series of peroxomanganese(iii) complexes supported by tetradentate aminopyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1707","1715","10.1039/c0dt01570a","","","0.71073","MoKα","","0.0526","0.044","","","0.109","0.113","","","","","","1.041","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015032","13.546","0.003","10.3239","0.0019","19.34","0.004","90","","99.912","0.003","90","","2664.3","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 F6 Mn N4 O6 S2 -","- C22 H28 F6 Mn N4 O6 S2 -","- C88 H112 F24 Mn4 N16 O24 S8 -","4","0.5","","Geiger, Robert A.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A.","Nucleophilic reactivity of a series of peroxomanganese(iii) complexes supported by tetradentate aminopyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1707","1715","10.1039/c0dt01570a","","","0.71073","MoKα","","0.0312","0.0303","","","0.0841","0.0848","","","","","","1.052","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015033","14.7305","0.0017","17.692","0.002","8.7518","0.001","90","","95.547","0.001","90","","2270.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl2 Mn N4 O8 -","- C18 H24 Cl2 Mn N4 O8 -","- C72 H96 Cl8 Mn4 N16 O32 -","4","1","","Geiger, Robert A.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A.","Nucleophilic reactivity of a series of peroxomanganese(iii) complexes supported by tetradentate aminopyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1707","1715","10.1039/c0dt01570a","","","0.71073","MoKα","","0.0434","0.0369","","","0.0919","0.0948","","","","","","1.057","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015034","26.3739","0.0006","11.1334","0.0003","10.7486","0.0002","90","","90","","90","","3156.12","0.13","133.1","","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H48 N2 Ni O2 -","- C33 H48 N2 Ni O2 -","- C132 H192 N8 Ni4 O8 -","4","0.5","","Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim","Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes","Dalton Transactions","2011","40","11","2469","","10.1039/c0dt01574a","","","0.71075","MoKα","","","0.0525","","","","0.1597","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015035","11.3915","0.0002","15.786","0.0003","24.3478","0.0005","85.886","0.0007","84.356","0.0007","72.89","0.0007","4160.09","0.14","133.1","","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H52 F6 N2 Ni O2 Sb -","- C40 H52 F6 N2 Ni O2 Sb -","- C160 H208 F24 N8 Ni4 O8 Sb4 -","4","2","","Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim","Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes","Dalton Transactions","2011","40","11","2469","","10.1039/c0dt01574a","","","0.71075","MoKα","","","0.0498","","","","0.1668","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015036","26.671","0.0013","11.3844","0.0005","10.1169","0.0005","90","","90","","90","","3071.8","0.3","133.1","","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H48 N2 O2 Pd -","- C33 H46 N2 O2 Pd -","- C132 H184 N8 O8 Pd4 -","4","0.5","","Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim","Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes","Dalton Transactions","2011","40","11","2469","","10.1039/c0dt01574a","","","0.71075","MoKα","","","0.0724","","","","0.2252","","","","","","0.948","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015037","11.6784","0.0005","17.5605","0.0006","18.3113","0.0009","90","","109.816","0.002","90","","3532.9","0.3","133.2","","133","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C33 H48 F6 N2 O2 Pd Sb -","- C33 H48 F6 N2 O2 Pd Sb -","- C132 H192 F24 N8 O8 Pd4 Sb4 -","4","1","","Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim","Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes","Dalton Transactions","2011","40","11","2469","","10.1039/c0dt01574a","","","0.7107","MoKα","","","0.0479","","","","0.1586","","","","","","1.882","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015038","16.7129","0.0005","16.7862","0.0005","29.5078","0.0008","90","","98.5939","0.0009","90","","8185.4","0.4","128.1","","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 F6 N2 O2 Pt Sb -","- C40 H52 F6 N2 O2 Pt Sb -","- C320 H416 F48 N16 O16 Pt8 Sb8 -","8","2","","Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim","Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes","Dalton Transactions","2011","40","11","2469","","10.1039/c0dt01574a","","","0.71075","MoKα","","","0.0487","","","","0.1315","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015039","27.469","0.007","11.691","0.004","9.564","0.003","90","","94.92","0.01","90","","3060.1","1.6","133.2","","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H48 N2 O2 Pt -","- C33 H46 N2 O2 Pt -","- C132 H184 N8 O8 Pt4 -","4","0.5","","Shimazaki, Yuichi; Arai, Natsumi; Dunn, Tim J.; Yajima, Tatsuo; Tani, Fumito; Ramogida, Caterina F.; Storr, Tim","Influence of the chelate effect on the electronic structure of one-electron oxidized group 10 metal(ii)-(disalicylidene)diamine complexes","Dalton Transactions","2011","40","11","2469","","10.1039/c0dt01574a","","","0.7107","MoKα","","","0.0463","","","","0.1465","","","","","","1.855","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015040","8.5776","0.0002","29.8122","0.0004","9.6766","0.0002","90","","107.589","0.002","90","","2358.79","0.08","123","","123","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 As2 Fe4 O12 Se2 -","- C14 H6 As2 Fe4 O12 Se2 -","- C56 H24 As8 Fe16 O48 Se8 -","4","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","x-ray","0.71073","MoKα","","0.0521","0.0315","","","0.0556","0.0587","","","","","","0.931","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015041","10.397","0.002","17.966","0.004","15.416","0.003","90","","92.02","0.03","90","","2877.8","1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 As2 Cl2 Fe4 O12 Se2 -","- C15 H6 As2 Cl2 Fe4 O12 Se2 -","- C60 H24 As8 Cl8 Fe16 O48 Se8 -","4","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","","0.56087","AgKα","","0.1395","0.0778","","","0.1985","0.2399","","","","","","1.252","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015042","10.2566","0.0014","17.71","0.003","15.4128","0.0017","90","","92.092","0.014","90","","2797.8","0.7","123","1","123","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 As2 Cl2 Fe4 O12 Te2 -","- C14.92 H7.76 As1.92 Cl2 Fe4 O12 Te2 -","- C59.68 H31.04 As7.68 Cl8 Fe16 O48 Te8 -","4","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","x-ray","0.71073","MoKα","","0.071","0.0359","","","0.0761","0.0954","","","","","","1.078","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015043","13.021","0.003","9.977","0.002","19.555","0.004","90","","90.08","0.03","90","","2540.4","0.9","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 As2 Fe4 O12 Te2 -","- C14 H6 As2 Fe4 O12 Te2 -","- C56 H24 As8 Fe16 O48 Te8 -","4","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","","0.56087","AgKα","","0.049","0.0325","","","0.069","0.0744","","","","","","1.032","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015044","26.694","0.003","16.95","0.002","11.046","0.002","90","","90","","90","","4997.9","1.2","203","2","203","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C14 H6 As2 Fe4 O12 Te2 -","- C14 H6 As2 Fe4 O12 Te2 -","- C112 H48 As16 Fe32 O96 Te16 -","8","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","","0.56087","AgKα","","0.0407","0.033","","","0.0761","0.0798","","","","","","1.033","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015045","17.7104","0.0004","11.0072","0.0002","31.0735","0.0006","90","","92.1845","0.0018","90","","6053.1","0.2","123","","123","","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H14 As4 Cl2 Fe12 O30 Te4 -","- C35 H14 As4 Cl2 Fe12 O30 Te4 -","- C140 H56 As16 Cl8 Fe48 O120 Te16 -","4","0.5","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","x-ray","0.71073","MoKα","","0.0557","0.034","","","0.0618","0.0662","","","","","","1.007","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015046","9.9663","0.0004","10.5051","0.0004","10.6381","0.0005","85.208","0.004","85.591","0.004","79.623","0.004","1089.56","0.08","123","1","123","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C14 H6 As2 Fe4 O12 Se -","- C14 H6 As2 Fe4 O12 Se -","- C28 H12 As4 Fe8 O24 Se2 -","2","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","x-ray","1.54178","CuKα","","0.0421","0.029","","","0.0619","0.0673","","","","","","0.972","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015047","10.6982","0.0004","12.3724","0.0004","13.0665","0.0004","90","","90","","90","","1729.51","0.1","123","","123","","","","","","","","see text","5","C m c 21","C 2c -2","36","","","","- C11 H6 As2 Fe3 O9 -","- C11 H6 As2 Fe3 O9 -","- C44 H24 As8 Fe12 O36 -","4","0.5","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","x-ray","0.71073","MoKα","","0.0264","0.0232","","","0.0514","0.0521","","","","","","0.982","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015048","16.1537","0.0017","16.697","0.0012","23.612","0.002","70.172","0.01","82.242","0.012","67.126","0.009","5519.9","1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H95 Cu12 N33 O53 -","- C60 H66 Cu12 N33 O48 -","- C120 H132 Cu24 N66 O96 -","2","1","","Anwar, Muhammad U.; Thompson, Laurence K.; Dawe, Louise N.","Spin frustration in a Cu(II)3 triangle frustrated?","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1437","1440","10.1039/c0dt01606c","","","0.71075","MoKα","","0.12","0.1087","","","0.3281","0.3498","","","","","","1.413","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015049","11.335","0.006","12.183","0.006","14.539","0.007","113.97","0.02","92.95","0.03","108.81","0.03","1697.5","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Cu N4 O9 -","- C36 H38 Cu N4 O9 -","- C72 H76 Cu2 N8 O18 -","2","1","","Kellett, Andrew; O'Connor, Mark; McCann, Malachy; McNamara, Mary; Lynch, Patrick; Rosair, Georgina; McKee, Vickie; Creaven, Bernie; Walsh, Maureen; McClean, Siobhan; Foltyn, Agnieszka; O'Shea, Denis; Howe, Orla; Devereux, Michael","Bis-phenanthroline copper(II) phthalate complexes are potent in vitro antitumour agents with 'self-activating' metallo-nuclease and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1024","1027","10.1039/c0dt01607a","","","0.71073","MoKα","","0.0543","0.0381","","","0.0913","0.098","","","","","","1.032","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015050","10.9068","0.0007","11.8165","0.0008","14.7457","0.001","74.65","0.004","79.904","0.003","68.909","0.002","1703.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H38 Cu N4 O10.5 -","- C34.5 H38 Cu N4 O10.5 -","- C69 H76 Cu2 N8 O21 -","2","1","","Kellett, Andrew; O'Connor, Mark; McCann, Malachy; McNamara, Mary; Lynch, Patrick; Rosair, Georgina; McKee, Vickie; Creaven, Bernie; Walsh, Maureen; McClean, Siobhan; Foltyn, Agnieszka; O'Shea, Denis; Howe, Orla; Devereux, Michael","Bis-phenanthroline copper(II) phthalate complexes are potent in vitro antitumour agents with 'self-activating' metallo-nuclease and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1024","1027","10.1039/c0dt01607a","","","0.71073","MoKα","","0.0477","0.042","","","0.1185","0.1231","","","","","","0.964","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015051","12.598","0.002","12.866","0.002","13.33","0.003","100.665","0.014","108.868","0.015","107.973","0.012","1844.8","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H79 Cu2 N8 O23.5 -","- C68 H77 Cu2 N8 O23.5 -","- C68 H77 Cu2 N8 O23.5 -","1","0.5","","Kellett, Andrew; O'Connor, Mark; McCann, Malachy; McNamara, Mary; Lynch, Patrick; Rosair, Georgina; McKee, Vickie; Creaven, Bernie; Walsh, Maureen; McClean, Siobhan; Foltyn, Agnieszka; O'Shea, Denis; Howe, Orla; Devereux, Michael","Bis-phenanthroline copper(II) phthalate complexes are potent in vitro antitumour agents with 'self-activating' metallo-nuclease and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1024","1027","10.1039/c0dt01607a","","","0.71073","MoKα","","0.0814","0.0592","","","0.1583","0.1713","","","","","","1.081","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015052","14.29","0.0006","18.7692","0.0008","14.7213","0.0006","90","","113.361","0.002","90","","3624.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 Cl N2 P2 Pd -","- C44 H37 Cl N2 P2 Pd -","- C176 H148 Cl4 N8 P8 Pd4 -","4","1","","Sgro, Michael J.; Stephan, Douglas W.","Non-innocent reactivity of bis-phosphinimine pincer ligands in palladium complexes","Dalton Transactions","2011","40","11","2419","","10.1039/c0dt01623c","","","0.71073","MoKα","","0.0304","0.0232","","","0.0554","0.0587","","","","","","1.018","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015053","11.6687","0.0016","24.307","0.004","12.5348","0.0017","90","","116.372","0.006","90","","3185.3","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl N2 P2 Pd -","- C38 H33 Cl N2 P2 Pd -","- C152 H132 Cl4 N8 P8 Pd4 -","4","1","","Sgro, Michael J.; Stephan, Douglas W.","Non-innocent reactivity of bis-phosphinimine pincer ligands in palladium complexes","Dalton Transactions","2011","40","11","2419","","10.1039/c0dt01623c","","","0.71073","MoKα","","0.1359","0.0835","","","0.1846","0.2107","","","","","","1.15","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015054","6.8287","0.0015","26.711","0.005","14.68","0.003","90","","97.025","0.005","90","","2657.6","0.9","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 B Mo N2 O2 -","- C27 H37 B Mo N2 O2 -","- C108 H148 B4 Mo4 N8 O8 -","4","1","","Takaki, Daichi; Okayama, Tetsuya; Shuto, Hiroshi; Matsumoto, Sawako; Yamaguchi, Yoshitaka; Matsumoto, Shinya","Indenyl-functionalised triethylborane adduct of N-heterocyclic carbene: stepwise coordination of indenyl and NHC ligands toward molybdenum fragment.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1445","1447","10.1039/c0dt01641a","","","1.54187","CuKα","","","0.0393","","","","0.113","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015055","8.7708","0.0011","16.5056","0.0017","12.1411","0.0013","90","","91.388","0.01","90","","1757.1","0.3","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Mo N2 O -","- C20 H22 Mo N2 O -","- C80 H88 Mo4 N8 O4 -","4","1","","Takaki, Daichi; Okayama, Tetsuya; Shuto, Hiroshi; Matsumoto, Sawako; Yamaguchi, Yoshitaka; Matsumoto, Shinya","Indenyl-functionalised triethylborane adduct of N-heterocyclic carbene: stepwise coordination of indenyl and NHC ligands toward molybdenum fragment.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1445","1447","10.1039/c0dt01641a","","","1.54187","CuKα","","","0.0334","","","","0.0832","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015056","7.411","0.002","38.544","0.008","13.169","0.003","90","","76.26","0.02","90","","3654.1","1.5","296","1","296","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H38 Mo2 N4 O4 -","- C39 H38 Mo2 N4 O4 -","- C156 H152 Mo8 N16 O16 -","4","1","","Takaki, Daichi; Okayama, Tetsuya; Shuto, Hiroshi; Matsumoto, Sawako; Yamaguchi, Yoshitaka; Matsumoto, Shinya","Indenyl-functionalised triethylborane adduct of N-heterocyclic carbene: stepwise coordination of indenyl and NHC ligands toward molybdenum fragment.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1445","1447","10.1039/c0dt01641a","","","1.54187","CuKα","","","0.0594","","","","0.1044","","","","","","0.87","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015057","8.5144","0.0011","38.37","0.004","8.5993","0.0011","90","","114.672","0.0011","90","","2552.9","0.5","223.1","","223.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 O4 Rh2 S2 -","- C24 H38 O4 Rh2 S2 -","- C96 H152 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Uemura, Shinobu; Miyano, Yousuke; Mizuno, Motohiro; Irie, Masahiro; Isobe, Kiyoshi","Photoreactivity of crystals of a rhodium dithionite complex with ethyltetramethylcyclopentadienyl ligands: Crystal surface morphology changes and degradation.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2177","2179","10.1039/c0dt01645d","","","0.7107","MoKα","","","0.0587","","","","0.1541","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015058","8.0667","0.0001","28.5622","0.0003","14.5669","0.0002","90","","92.7395","0.0005","90","","3352.42","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 N2 S6 Sn -","- C25 H34 N2 S6 Sn -","- C100 H136 N8 S24 Sn4 -","4","1","","Melen, Rebecca L.; McPartlin, Mary; Wright, Dominic S.","An unexpected dependence on the Sn(II) base; reactions of Sn(NR(2))(2) with aromatic dithiols.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1649","1651","10.1039/c0dt01690j","","","0.71073","MoKα","","0.0868","0.0641","","","0.1773","0.1973","","","","","","1.038","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015059","7.7617","0.0001","13.0775","0.0002","28.9361","0.0006","90","","97.77","0.001","90","","2910.15","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N3 S6 Sn -","- C24 H31 N3 S6 Sn -","- C96 H124 N12 S24 Sn4 -","4","1","","Melen, Rebecca L.; McPartlin, Mary; Wright, Dominic S.","An unexpected dependence on the Sn(II) base; reactions of Sn(NR(2))(2) with aromatic dithiols.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1649","1651","10.1039/c0dt01690j","","","0.71073","MoKα","","0.0316","0.0302","","","0.0866","0.0871","","","","","","1.441","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015060","24.0248","0.0012","35.8255","0.0017","11.7851","0.0006","90","","90","","90","","10143.4","0.9","90","2","90","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C56 H80 N2 Zn -","- C56 H80 N2 Zn -","- C448 H640 N16 Zn8 -","8","2","","Blake, Alexander J.; Lewis, William; McMaster, Jonathan; Moorhouse, Rhiannon S.; Moxey, Graeme J.; Kays, Deborah L.","Amido analogues of zincocenes and cadmocenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1641","1645","10.1039/c0dt01710h","","","0.71073","MoKα","","0.0782","0.0448","","","0.0947","0.114","","","","","","1.04","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015061","12.192","0.002","14.983","0.003","16.507","0.003","68.19","0.03","82.75","0.03","81.36","0.03","2759.6","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H88 Cd N2 -","- C63 H88 Cd N2 -","- C126 H176 Cd2 N4 -","2","1","","Blake, Alexander J.; Lewis, William; McMaster, Jonathan; Moorhouse, Rhiannon S.; Moxey, Graeme J.; Kays, Deborah L.","Amido analogues of zincocenes and cadmocenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1641","1645","10.1039/c0dt01710h","","","0.71073","MoKα","","0.103","0.0581","","","0.15","0.179","","","","","","1.02","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015062","8.0495","0.0002","11.8852","0.0005","11.9209","0.0004","79.881","0.002","86.231","0.002","81.912","0.002","1110.58","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 O22 U4 -","- C6 H4 O22 U4 -","- C12 H8 O44 U8 -","2","1","","Lhoste, Jérôme; Henry, Natacha; Roussel, Pascal; Loiseau, Thierry; Abraham, Francis","An uranyl citrate coordination polymer with a 3D open-framework involving uranyl cation-cation interactions","Dalton Transactions","2011","40","11","2422","","10.1039/c0dt01721c","","","0.71073","MoKα","","0.0766","0.0514","","","0.0598","0.0791","","","","3.56","3.56","3.98","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015063","25.4693","0.0008","13.6167","0.0005","25.9759","0.0009","90","","117.403","0.002","90","","7997.8","0.5","213","2","213","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","(Ru(bpy)2(dppcb)PtCl2)(PF6)2","[Ru(bpy)2(dppcb)PtCl2](PF6)2","","- C75.5 H65 Cl9 F12 N4 O0.5 P6 Pt Ru -","- C75.5 H65 Cl9 F12 N4 O0.5 P6 Pt Ru -","- C302 H260 Cl36 F48 N16 O2 P24 Pt4 Ru4 -","4","1","","Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter","Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3815","3829","10.1039/c0dt00253d","","","0.71073","MoKα","","0.0849","0.0497","","","0.1522","0.1797","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015064","25.2396","0.0005","13.4989","0.0003","25.5113","0.0006","90","","118.25","0.001","90","","7656.6","0.3","243","2","243","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","[Ru(bpy)2(dppcb)PdCl2](PF6)2","","- C73.3 H64 Cl4.6 F12 N4 O P6 Pd Ru -","- C73.3 H64 Cl4.6 F12 N4 O P6 Pd Ru -","- C293.2 H256 Cl18.4 F48 N16 O4 P24 Pd4 Ru4 -","4","1","","Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter","Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3815","3829","10.1039/c0dt00253d","","","0.71073","MoKα","","0.0713","0.0486","","","0.1317","0.1789","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015065","21.7459","0.0004","15.6939","0.0003","24.8759","0.0003","90","","91.379","0.001","90","","8487.1","0.2","223","2","223","2","","","","","","","","9","C 1 c 1","C -2yc","9","","[Ru(bpy)2(dppcb)NiCl2](PF6)2","","- C75.7 H65.4 Cl7.4 F12 N4 Ni O2 P6 Ru -","- C75.7 H65.4 Cl7.4 F12 N4 Ni O2 P6 Ru -","- C302.8 H261.6 Cl29.6 F48 N16 Ni4 O8 P24 Ru4 -","4","1","","Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter","Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3815","3829","10.1039/c0dt00253d","","","0.71073","MoKα","","0.0483","0.04","","","0.1145","0.1379","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015066","14.1694","0.0003","21.0307","0.0004","25.9245","0.0003","90","","98.406","0.001","90","","7642.3","0.2","243","2","243","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[Ru(bpy)(CH3CN)2(dppcb)PtCl2](SbF6)2","","- C66 H58 Cl2 F12 N4 P4 Pt Ru Sb2 -","- C66 H58 Cl2 F12 N4 P4 Pt Ru Sb2 -","- C264 H232 Cl8 F48 N16 P16 Pt4 Ru4 Sb8 -","4","1","","Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter","Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3815","3829","10.1039/c0dt00253d","","","0.71073","MoKα","","0.0751","0.0493","","","0.1278","0.1686","","","","","","1.064","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015067","14.4448","0.0006","21.0505","0.0009","26.0985","0.0009","90","","99.057","0.002","90","","7836.8","0.5","243","2","243","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","[Ru(bpy)(CH3CN)2(dppcb)PdCl2](SbF6)2","","- C66 H58 Cl2 F12 N4 O2 P4 Pd Ru Sb2 -","- C66 H58 Cl2 F12 N4 O2 P4 Pd Ru Sb2 -","- C264 H232 Cl8 F48 N16 O8 P16 Pd4 Ru4 Sb8 -","4","1","","Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter","Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3815","3829","10.1039/c0dt00253d","","","0.71073","MoKα","","0.1114","0.0625","","","0.1632","0.2479","","","","","","1.037","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015068","13.5536","0.0004","14.8181","0.0004","28.5615","0.0007","77.347","0.001","86.351","0.002","63.021","0.001","4983.6","0.2","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","[Ru(bpy)(CH3CN)2(dppcb)Os(bpy)2](PF6)4","","- C89 H74 F24 N9.5 Os P8 Ru -","- C89 H74 F24 N9.5 Os P8 Ru -","- C178 H148 F48 N19 Os2 P16 Ru2 -","2","1","","Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter","Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3815","3829","10.1039/c0dt00253d","","","0.71073","MoKα","","0.0889","0.0583","","","0.1488","0.2118","","","","","","1.051","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015069","12.4375","0.0014","17.831","0.002","17.8172","0.0019","90","","100.291","0.003","90","","3887.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl2 Fe N6 O9 -","- C42 H36 Cl2 Fe N6 O9 -","- C168 H144 Cl8 Fe4 N24 O36 -","4","1","","Ramakrishnan, Sethu; Suresh, Eringadothi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar; Palaniandavar, Mallayan","DNA binding, prominent DNA cleavage and efficient anticancer activities of tris(diimine)iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3524","3536","10.1039/c0dt00466a","","","0.71073","MoKα","","0.1452","0.1032","","","0.1823","0.1985","","","","","","1.172","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015070","12.2303","0.0007","35.554","0.002","9.9058","0.0006","90","","106.985","0.001","90","","4119.5","0.4","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl N3 Ni O5 P2 Ru -","- C40 H52 Cl N3 Ni O5 P2 Ru -","- C160 H208 Cl4 N12 Ni4 O20 P8 Ru4 -","4","1","","Mena-Cruz, Adrián; Lorenzo-Luis, Pablo; Passarelli, Vincenzo; Romerosa, Antonio; Serrano-Ruiz, Manuel","Comparative study of [RuClCp(HdmoPTA-κP)(PPh3)][CF3SO3] and the heterobimetallic complexes [RuClCp(PPh3)-μ-dmoPTA-1κP:2κ2N,N'-M(acac-κ2O,O')2] (M=Co, Ni, Zn; dmoPTA=3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3237","3244","10.1039/c0dt00571a","","","0.71073","MoKα","","0.1039","0.0793","","","0.1635","0.1725","","","","","","1.233","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015071","12.2069","0.0014","35.572","0.004","9.9461","0.0012","90","","107.068","0.002","90","","4128.6","0.8","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl N3 O5 P2 Ru Zn -","- C40 H52 Cl N3 O5 P2 Ru Zn -","- C160 H208 Cl4 N12 O20 P8 Ru4 Zn4 -","4","1","","Mena-Cruz, Adrián; Lorenzo-Luis, Pablo; Passarelli, Vincenzo; Romerosa, Antonio; Serrano-Ruiz, Manuel","Comparative study of [RuClCp(HdmoPTA-κP)(PPh3)][CF3SO3] and the heterobimetallic complexes [RuClCp(PPh3)-μ-dmoPTA-1κP:2κ2N,N'-M(acac-κ2O,O')2] (M=Co, Ni, Zn; dmoPTA=3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3237","3244","10.1039/c0dt00571a","","","0.71073","MoKα","","0.0834","0.0773","","","0.1954","0.1984","","","","","","1.204","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015072","10.171","0.0014","10.66","0.0015","10.998","0.0015","102.647","0.002","113.809","0.002","108.044","0.002","952.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mo8 N8 O30 -","- C16 H20 Mo8 N8 O30 -","- C16 H20 Mo8 N8 O30 -","1","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min","Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3176","3182","10.1039/c0dt00656d","","","0.71069","MoKα","","0.0453","0.0363","","","0.0907","0.0964","","","","","","1.023","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015073","11.688","0.005","12.312","0.005","13.805","0.005","104.595","0.005","99.753","0.005","111.665","0.005","1708.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cu2 Mo4 N12 O13 -","- C24 H24 Cu2 Mo4 N12 O13 -","- C48 H48 Cu4 Mo8 N24 O26 -","2","1","","Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min","Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3176","3182","10.1039/c0dt00656d","","","0.71069","MoKα","","0.0481","0.0369","","","0.0867","0.0929","","","","","","1.038","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015074","10.359","0.0012","11.786","0.0014","12.513","0.0014","65.003","0.001","70.155","0.001","83.231","0.002","1301.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Mo4 N6 O14 -","- C18 H17 Mo4 N6 O14 -","- C36 H34 Mo8 N12 O28 -","2","1","","Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min","Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3176","3182","10.1039/c0dt00656d","","","0.71069","MoKα","","0.0548","0.0375","","","0.0748","0.0821","","","","","","1.022","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015075","12.183","0.0014","12.405","0.0015","12.88","0.0015","68.221","0.002","64.875","0.002","89.813","0.002","1608.8","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H42 Co0 Mo8 N16 Na0 Ni O30 -","- C48 H42 Mo8 N16 Ni O30 -","- C48 H42 Mo8 N16 Ni O30 -","1","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min","Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3176","3182","10.1039/c0dt00656d","","","0.71069","MoKα","","0.0663","0.042","","","0.0868","0.0971","","","","","","1.031","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015076","26.5223","0.0008","10.5201","0.0003","20.1433","0.0005","90","","90","","90","","5620.3","0.3","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H31 Cl2 N5 O10 Zn -","- C26 H31 Cl2 N5 O10 Zn -","- C208 H248 Cl16 N40 O80 Zn8 -","8","1","","Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi","Methoxyquinoline-diethylenetriamine conjugate as a fluorescent zinc sensor.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4976","4981","10.1039/c0dt00791a","","","0.7107","MoKα","","0.0457","0.0445","","","0.1069","0.1079","","","","","","1.046","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015077","10.8248","0.0005","8.8552","0.0004","25.3482","0.0013","90","","90","","90","","2429.8","0.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O6 Zn -","- C12 H10 O6 Zn -","- C96 H80 O48 Zn8 -","8","1","","Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen","Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4527","4541","10.1039/c0dt00903b","","","0.71073","MoKα","","0.0637","0.0279","","","0.0473","0.0498","","","","","","1.051","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015078","7.2752","0.0007","13.8489","0.0015","15.5737","0.0014","84.229","0.008","88.532","0.007","84.578","0.008","1554","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H42 N4 O18 Zn5 -","- C68 H42 N4 O18 Zn5 -","- C68 H42 N4 O18 Zn5 -","1","0.5","","Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen","Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4527","4541","10.1039/c0dt00903b","","","0.71073","MoKα","","0.0812","0.0456","","","0.084","0.0866","","","","","","1.061","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015079","22.2072","0.0007","13.016","0.0005","11.4239","0.0007","90","","90","","90","","3302.1","0.3","294","2","294","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C17 H14 N2 O6 Zn -","- C17 H14 N2 O6 Zn -","- C136 H112 N16 O48 Zn8 -","8","","","Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen","Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4527","4541","10.1039/c0dt00903b","","","0.71073","MoKα","","0.0487","0.0325","","","0.0672","0.0691","","","","","","1.001","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015080","17.195","0.004","6.2492","0.0007","10.7732","0.0014","90","","100.507","0.016","90","","1138.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Ag2 O4 -","- C12 H6 Ag2 O4 -","- C48 H24 Ag8 O16 -","4","1","","Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen","Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4527","4541","10.1039/c0dt00903b","","","0.71073","MoKα","","0.0671","0.0419","","","0.0774","0.0798","","","","","","1.048","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015081","10.9218","0.0004","17.1519","0.0005","22.5719","0.0006","90","","99.906","0.003","90","","4165.3","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Ag3 Cl N6 O11 -","- C42 H36 Ag3 Cl N6 O11 -","- C168 H144 Ag12 Cl4 N24 O44 -","4","1","","Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen","Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4527","4541","10.1039/c0dt00903b","","","0.71073","MoKα","","0.0956","0.0372","","","0.048","0.0516","","","","","","0.985","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015082","9.8037","0.0006","12.917","0.0007","13.5314","0.0007","87.233","0.004","79.209","0.005","70.022","0.005","1581.72","0.16","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Ag2 N8 O7 -","- C32 H28 Ag2 N8 O7 -","- C64 H56 Ag4 N16 O14 -","2","1","","Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen","Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4527","4541","10.1039/c0dt00903b","","","0.71073","MoKα","","0.0672","0.0324","","","0.0373","0.0386","","","","","","1.07","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015083","9.4696","0.0002","11.5952","0.0002","9.5469","0.0002","90","","119.389","0.001","90","","913.36","0.03","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H20 Au Cl N2 -","- C19 H20 Au Cl N2 -","- C38 H40 Au2 Cl2 N4 -","2","1","","Bouhrara, Mohamed; Jeanneau, Erwan; Veyre, Laurent; Copéret, Christophe; Thieuleux, Chloé","Dissymmetric gold(I) N-heterocyclic carbene complexes: a key unexpected structural parameter for highly efficient catalysts in the addition of alcohols to internal alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2995","2999","10.1039/c0dt00932f","","","0.71069","MoKα","","0.0225","0.022","","0.0571","0.0567","0.0571","","","","","","1.2724","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015084","11.903","0.004","37.646","0.012","12.111","0.004","90","","99.927","0.006","90","","5346","3","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 F18 N10 O3 P3 Ru2 -","- C41 H45 F18 N10 O2 P3 Ru2 -","- C164 H180 F72 N40 O8 P12 Ru8 -","4","1","","Mola, Joaquim; Dinoi, Chiara; Sala, Xavier; Rodríguez, Montserrat; Romero, Isabel; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni","A new dinuclear Ru-Hbpp based water oxidation catalyst with a trans-disposition of the Ru-OH.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3640","3646","10.1039/c0dt00964d","","","0.71073","MoKα","","0.2088","0.1197","","","0.3414","0.3827","","","","","","1.049","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015085","12.193","0.002","13.033","0.002","16.319","0.003","113.015","0.003","103.473","0.003","99.218","0.003","2227.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 Cl2 F6 N10 P Ru2 -","- C41 H43 Cl2 F6 N10 P Ru2 -","- C82 H86 Cl4 F12 N20 P2 Ru4 -","2","1","","Mola, Joaquim; Dinoi, Chiara; Sala, Xavier; Rodríguez, Montserrat; Romero, Isabel; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni","A new dinuclear Ru-Hbpp based water oxidation catalyst with a trans-disposition of the Ru-OH.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3640","3646","10.1039/c0dt00964d","","","0.71073","MoKα","","0.138","0.0744","","","0.1796","0.2099","","","","","","1.036","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015086","19.404","0.004","16.111","0.003","7.3647","0.0011","90","","90.17","0.02","90","","2302.3","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 Cl2 N6 Ni2 O9 -","- C23 H34 Cl2 N6 Ni2 O9 -","- C46 H68 Cl4 N12 Ni4 O18 -","2","0.5","","Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh","Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2744","2756","10.1039/c0dt00978d","","","0.71073","MoKα","","0.1878","0.087","","","0.2072","0.2305","","","","","","0.804","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015087","9.632","0.005","12.447","0.007","15.37","0.009","87.403","0.017","85.004","0.019","81.392","0.018","1814","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H47 Cl N8 Ni2 O11 -","- C29 H47 Cl N8 Ni2 O11 -","- C58 H94 Cl2 N16 Ni4 O22 -","2","1","","Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh","Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2744","2756","10.1039/c0dt00978d","","","0.71073","MoKα","","0.0896","0.0498","","","0.1009","0.1159","","","","","","1.011","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015088","9.6826","0.0017","33.861","0.01","10.8615","0.0008","90","","110.332","0.013","90","","3339.2","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl N7 Ni2 O10 -","- C26 H40 Cl N7 Ni2 O10 -","- C104 H160 Cl4 N28 Ni8 O40 -","4","1","","Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh","Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2744","2756","10.1039/c0dt00978d","","","0.71073","MoKα","","0.1118","0.0778","","","0.14","0.1491","","","","","","1.101","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015089","16.004","0.003","15.268","0.003","15.745","0.003","90","","90","","90","","3847.3","1.3","150","2","150","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C35 H37 Cl2 N6 Ni3 O9.5 -","- C35 H34 Cl2 N6 Ni3 O9.5 -","- C140 H136 Cl8 N24 Ni12 O38 -","4","0.5","","Naiya, Subrata; Wang, Hui-Sheng; Drew, Michael G. B.; Song, You; Ghosh, Ashutosh","Structural and magnetic studies of Schiff base complexes of nickel(II) nitrite: change in crystalline state, ligand rearrangement and a very rare μ-nitrito-1κO:2κN:3κO' bridging mode.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2744","2756","10.1039/c0dt00978d","","","0.71073","MoKα","","0.0975","0.0721","","","0.1995","0.2122","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015090","13.814","0.0002","13.814","0.0002","19.9012","0.0002","90","","90","","120","","3288.89","0.08","120","2","120","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H47.88 Br1.96 Co28.18 K O69.65 -","- C12 H43 Br1.953 Co28.18 K O69.6504 -","- C24 H86 Br3.906 Co56.36 K2 O139.301 -","2","0.333333","","Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J.","Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2983","2994","10.1039/c0dt01007c","","","0.71073","MoKα","","0.042","0.0405","","","0.099","0.1003","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015091","9.42","0.002","9.42","0.002","10.242","0.004","90","","90","","120","","787.1","0.4","120","2","120","2","","","","","","","","5","P -3","-P 3","147","Catena(octadecahydroxo-trioxalato-(mu -piperazine)-dodeca- cobalt(ii))","Catena(octadecahydroxo-trioxalato-(μ -piperazine)-dodeca- cobalt(II))","","- C5 H14 Co6 N O15 -","- C4.9998 H13.9995 Co6 N O15 -","- C9.9996 H27.999 Co12 N2 O30 -","2","0.333333","","Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J.","Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2983","2994","10.1039/c0dt01007c","","","0.71073","MoKα","","0.2156","0.1209","","","0.2786","0.3334","","","","","","1.048","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015092","13.7854","0.0004","13.7854","0.0004","19.7548","0.0009","90","","90","","120","","3251.2","0.2","150","2","150","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H48.27 Br2.16 Co28.3 Na O69.86 -","- C12 H42.994 Br2.156 Co28.306 Na O69.8584 -","- C24 H85.988 Br4.312 Co56.612 Na2 O139.717 -","2","0.333333","","Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J.","Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2983","2994","10.1039/c0dt01007c","","","0.71073","MoKα","","0.0896","0.0556","","","0.1221","0.1365","","","","","","0.994","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015093","26.1429","0.0005","26.1429","0.0005","31.4567","0.0009","90","","90","","120","","18618.8","0.7","200","2","200","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C35 H33 B I N8 P Ru -","- C35 H33 B I N8 P Ru -","- C630 H594 B18 I18 N144 P18 Ru18 -","18","1","","Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen","Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2711","2715","10.1039/c0dt01091j","","","0.71073","MoKα","","0.0858","0.0657","","","0.1768","0.1921","","","","","","1.06","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015094","9.396","0.0002","16.921","0.0004","19.5683","0.0004","76.967","0.001","85.209","0.001","75.117","0.001","2928.25","0.11","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H52 B2 Cl6 N12 P2 Ru2 -","- C55 H52 B2 Cl6 N12 P2 Ru2 -","- C110 H104 B4 Cl12 N24 P4 Ru4 -","2","1","","Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen","Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2711","2715","10.1039/c0dt01091j","","","0.71073","MoKα","","0.048","0.0399","","","0.0981","0.1046","","","","","","1.05","","","","has coordinates,has disorder","179854","2020-10-21","18:00:00",""
"7015095","8.2392","0.0005","11.7901","0.0006","19.4125","0.0013","107.116","0.004","92.05","0.004","108.142","0.003","1695.7","0.19","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 B Cl N7 P Ru -","- C35 H32 B Cl N7 P Ru -","- C70 H64 B2 Cl2 N14 P2 Ru2 -","2","1","","Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen","Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2711","2715","10.1039/c0dt01091j","","","0.71073","MoKα","","0.0593","0.0433","","","0.1206","0.136","","","","","","0.592","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015096","31.7072","0.0015","9.652","0.0004","18.8073","0.0009","90","","94.419","0.002","90","","5738.6","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 B I N6 P Ru -","- C27 H25 B I N6 P Ru -","- C216 H200 B8 I8 N48 P8 Ru8 -","8","1","","Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen","Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2711","2715","10.1039/c0dt01091j","","","0.71073","MoKα","","0.0823","0.0711","","","0.2086","0.2162","","","","","","1.101","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015097","6.809","0.005","12.003","0.009","12.379","0.01","97.378","0.008","103.656","0.017","94","0.011","969.7","1.3","120.1","","120.1","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N7 O3 S2 -","- C17 H21 N7 O3 S2 -","- C34 H42 N14 O6 S4 -","2","1","","Kobayashi, Atsushi; Ohbayashi, Korin; Aoki, Rie; Chang, Ho-Chol; Kato, Masako","Synthesis, structure and photophysical properties of a flavin-based platinum(II) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3484","3489","10.1039/c0dt01139h","","","0.689","Synchrotron","","","0.0905","","","","0.2767","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015098","10.022","0.003","12.041","0.004","15.252","0.004","66.845","0.014","74.01","0.016","70.156","0.013","1570.2","0.8","150.1","","150.1","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H82 N20 O10 Pt S2 -","- C54 H82 N20 O10 Pt S2 -","- C54 H82 N20 O10 Pt S2 -","1","0.5","","Kobayashi, Atsushi; Ohbayashi, Korin; Aoki, Rie; Chang, Ho-Chol; Kato, Masako","Synthesis, structure and photophysical properties of a flavin-based platinum(II) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3484","3489","10.1039/c0dt01139h","","","0.71075","MoKα","","","0.0412","","","","0.105","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015099","7.293","0.007","15.308","0.013","13.087","0.009","90","","101.46","0.03","90","","1432","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N5 O5 S Zn2 -","- C12 H9 N5 O5 S Zn2 -","- C48 H36 N20 O20 S4 Zn8 -","4","1","","Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing","Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2805","2814","10.1039/c0dt01174f","","","0.7107","MoKα","","0.0526","0.0387","","","0.0768","0.0836","","","","","","1.112","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015100","12.334","0.003","7.84","0.0016","15.597","0.004","90","","101.62","0.005","90","","1477.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cl2 N5 O Zn2 -","- C12 H9 Cl2 N5 O Zn2 -","- C48 H36 Cl8 N20 O4 Zn8 -","4","0.5","","Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing","Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2805","2814","10.1039/c0dt01174f","","","0.7107","MoKα","","0.0287","0.0264","","","0.0589","0.06","","","","","","1.097","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015101","13.2947","0.0013","17.473","0.0018","16.5991","0.0018","90","","95.015","0.003","90","","3841.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 N10 O20 S2 Zn2 -","- C24 H38 N10 O19.99 S2 Zn2 -","- C96 H152 N40 O79.96 S8 Zn8 -","4","1","","Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing","Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2805","2814","10.1039/c0dt01174f","","","0.71075","MoKα","","0.058","0.0524","","","0.1307","0.1347","","","","","","1.103","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015102","6.7324","0.0012","21.804","0.004","9.5103","0.0018","90","","104.592","0.003","90","","1351","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cd N5 O4 S -","- C12 H9 Cd N5 O4 S -","- C48 H36 Cd4 N20 O16 S4 -","4","1","","Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing","Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2805","2814","10.1039/c0dt01174f","","","0.71075","MoKα","","0.0246","0.0205","","","0.047","0.0483","","","","","","1.014","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015103","14.9","0.003","7.6852","0.0014","23.142","0.005","90","","90","","90","","2650","0.9","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cl N5 Zn -","- C12 H8 Cl N5 Zn -","- C96 H64 Cl8 N40 Zn8 -","8","1","","Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing","Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2805","2814","10.1039/c0dt01174f","","","0.71075","MoKα","","0.0607","0.0496","","","0.1126","0.1199","","","","","","1.052","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015104","7.9223","0.0015","14.721","0.003","15.965","0.003","90","","102.897","0.003","90","","1814.9","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Cd N5 O9 S -","- C12 H19 Cd N5 O9 S -","- C48 H76 Cd4 N20 O36 S4 -","4","1","","Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing","Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2805","2814","10.1039/c0dt01174f","","","0.71075","MoKα","","0.0373","0.031","","","0.0614","0.0639","","","","","","1.095","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015105","11.089","0.003","12.471","0.003","17.197","0.004","81.586","0.004","75.624","0.004","67.478","0.004","2124.5","0.9","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 Li2 N6 O2 Si2 -","- C38 H60 Li2 N6 O2 Si2 -","- C76 H120 Li4 N12 O4 Si4 -","2","1","","Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng","A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4236","4241","10.1039/c0dt01177k","","","0.71073","MoKα","","0.1344","0.0754","","","0.1268","0.1462","","","","","","0.991","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015106","10.66","0.004","11.667","0.006","12.924","0.007","115.39","0.04","97.71","0.03","105.45","0.04","1341.5","1.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H60 Li2 N10 Si2 -","- C58 H60 Li2 N10 Si2 -","- C58 H60 Li2 N10 Si2 -","1","0.5","","Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng","A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4236","4241","10.1039/c0dt01177k","","","0.71073","MoKα","","0.0823","0.0705","","","0.1624","0.1697","","","","","","1.181","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015107","14.7016","0.0017","20.676","0.002","26.029","0.003","90","","90.506","0.002","90","","7911.7","1.5","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl3 N5 O2 Si Zr -","- C37 H46 Cl3 N5 O2 Si Zr -","- C296 H368 Cl24 N40 O16 Si8 Zr8 -","8","2","","Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng","A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4236","4241","10.1039/c0dt01177k","","","0.71073","MoKα","","0.1053","0.0737","","","0.1438","0.1561","","","","","","1.129","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015108","9.3783","0.0004","15.2216","0.0006","9.916","0.0004","90","","98.367","0.004","90","","1400.47","0.1","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H33 Cl2 Co N7 O8 -","- C22 H33 Cl2 Co N7 O8 -","- C44 H66 Cl4 Co2 N14 O16 -","2","1","","Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël","trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4514","4526","10.1039/c0dt01191f","","","0.71073","MoKα","","0.0272","0.0265","","","0.0664","0.0671","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7015109","12.176","0.0005","13.3778","0.0006","15.4238","0.0006","90","","93.146","0.004","90","","2508.57","0.18","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Cl2 Cu N6 O8 -","- C20 H30 Cl2 Cu N6 O8 -","- C80 H120 Cl8 Cu4 N24 O32 -","4","1","","Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël","trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4514","4526","10.1039/c0dt01191f","","x-ray","0.71073","MoKα","","0.0558","0.0414","","","0.1041","0.1089","","","","","","1.126","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015110","9.3651","0.0005","15.2293","0.0007","9.9392","0.0005","90","","98.296","0.004","90","","1402.73","0.12","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H33 Cl2 N7 O8 Zn -","- C22 H33 Cl2 N7 O8 Zn -","- C44 H66 Cl4 N14 O16 Zn2 -","2","1","","Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël","trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4514","4526","10.1039/c0dt01191f","","x-ray","0.71073","MoKα","","0.023","0.0226","","","0.058","0.0583","","","","","","1.083","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7015111","13.019","0.002","13.019","0.002","63.286","0.01","90","","90","","120","","9290","2","150","2","150","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C16.5 H33 Cu3 I Mo N6 O1.5 S6 -","- C15 H30 Cu3 I Mo N6 O S6 -","- C180 H360 Cu36 I12 Mo12 N72 O12 S72 -","12","0.333333","","Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca","Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2815","2821","10.1039/c0dt01195a","","","0.71073","MoKα","","0.1054","0.0773","","","0.214","0.2274","","","","","","1.121","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015112","12.8515","0.0015","12.8515","0.0015","12.8515","0.0015","61.399","0.017","61.399","0.017","61.399","0.017","1548","0.5","150","2","150","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C15 H30 Cu3 I N6 O S6 W -","- C15 H30 Cu3 I N6 O S6 W -","- C30 H60 Cu6 I2 N12 O2 S12 W2 -","2","0.333333","","Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca","Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2815","2821","10.1039/c0dt01195a","","","0.71073","MoKα","","0.0738","0.0655","","","0.1625","0.1713","","","","","","1.101","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015113","9.4515","0.0009","25.829","0.005","20.192","0.007","90","","94.017","0.008","90","","4917","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Ag5 I5 N8 S4 -","- C36 H32 Ag5 I5 N8 S4 -","- C144 H128 Ag20 I20 N32 S16 -","4","1","","Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca","Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2815","2821","10.1039/c0dt01195a","","","0.71073","MoKα","","0.0325","0.0242","","","0.0567","0.0611","","","","","","1.092","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015114","21.715","0.001","9.014","0.003","20.493","0.002","90","","116.97","0.01","90","","3575","1.3","200","","200","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H34 F12 N10 P2 Ru -","- C30 H34 F11.999 N10 P2 Ru -","- C120 H136 F47.996 N40 P8 Ru4 -","4","1","","Dinda, Joydev; Liatard, Sébastien; Chauvin, Jérôme; Jouvenot, Damien; Loiseau, Frédérique","Electronic and geometrical manipulation of the excited state of bis-terdentate homo- and heteroleptic ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3683","3688","10.1039/c0dt01197e","","","0.71073","MoKα","","0.0474","0.0474","","0.0481","","0.0481","","","1.795","","","1.795","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015115","37.1","0.01","11.357","0.006","16.695","0.002","90","","116.36","0.02","90","","6303","4","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 Br2 N9 Ru -","- C32 H31 Br2 N9 Ru -","- C256 H248 Br16 N72 Ru8 -","8","1","","Dinda, Joydev; Liatard, Sébastien; Chauvin, Jérôme; Jouvenot, Damien; Loiseau, Frédérique","Electronic and geometrical manipulation of the excited state of bis-terdentate homo- and heteroleptic ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3683","3688","10.1039/c0dt01197e","","","0.71073","MoKα","","0.0372","0.0372","","0.0468","","0.0468","","","1.505","","","1.505","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015116","10.7302","0.0008","11.3642","0.0008","11.7568","0.0009","107.918","0.001","101.754","0.001","95.45","0.001","1316.23","0.17","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H64 Cl4 Co2 Mo6 N8 O19 -","- C32 H64 Cl4 Co2 Mo6 N8 O19 -","- C32 H64 Cl4 Co2 Mo6 N8 O19 -","1","0.5","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19].","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2954","2966","10.1039/c0dt01208d","","","0.71073","MoKα","","0.04","0.0326","","","0.0763","0.0795","","","","","","1.045","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015117","18.1285","0.0013","16.4933","0.0012","12.8503","0.0009","90","","96.554","0.001","90","","3817.1","0.5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 Cl2 N4 Ni O20 S W6 -","- C19 H38 Cl2 N4 Ni O20 S W6 -","- C76 H152 Cl8 N16 Ni4 O80 S4 W24 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19].","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2954","2966","10.1039/c0dt01208d","","","0.71073","MoKα","","0.038","0.0337","","","0.0607","0.0621","","","","","","1.184","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015118","14.799","0.003","11.888","0.002","18.13","0.003","90","","111.842","0.003","90","","2960.6","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Cl2 N8 O19 W6 Zn2 -","- C32 H64 Cl2 N8 O19 W6 Zn2 -","- C64 H128 Cl4 N16 O38 W12 Zn4 -","2","0.5","","Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.","Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19].","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2954","2966","10.1039/c0dt01208d","","","0.71073","MoKα","","0.0417","0.0327","","","0.0653","0.0686","","","","","","1.07","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015119","20.982","0.004","14.49","0.003","22.263","0.005","90","","96.22","0.03","90","","6729","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46.5 Cu2 Mo N16 O5.25 -","- C20 H36 Cu2 Mo N16 O5.25 -","- C160 H288 Cu16 Mo8 N128 O42 -","8","2","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2735","2743","10.1039/c0dt01213k","","","0.71073","MoKα","","0.0516","0.044","","","0.0987","0.1033","","","","","","1.149","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015120","13.055","0.003","24.419","0.005","18.402","0.004","90","","93.8","0.03","90","","5853","2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Cu2 Mo N16 O15 -","- C44 H36 Cu2 Mo N16 O15 -","- C176 H144 Cu8 Mo4 N64 O60 -","4","1","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2735","2743","10.1039/c0dt01213k","","","0.71073","MoKα","","0.1284","0.0915","","","0.1745","0.1919","","","","","","1.271","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015121","14.1417","0.0008","14.424","0.0009","18.5187","0.0005","90","","106.966","0.002","90","","3613","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Cu2 Mo N16 O4 -","- C24 H44 Cu2 Mo N16 O4 -","- C96 H176 Cu8 Mo4 N64 O16 -","4","0.5","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2735","2743","10.1039/c0dt01213k","","","0.71073","MoKα","","0.0669","0.0502","","","0.115","0.1236","","","","","","1.078","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015122","18.132","0.003","17.736","0.002","15.286","0.002","90","","110.075","0.002","90","","4617.1","1.1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cl Cu2 Mo N16 O4 -","- C44 H36 Cl Cu2 Mo N16 O4 -","- C176 H144 Cl4 Cu8 Mo4 N64 O16 -","4","1","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2735","2743","10.1039/c0dt01213k","","","0.71073","MoKα","","0.045","0.0322","","","0.0727","0.0781","","","","","","1.046","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015123","11.193","0.001","8.968","0.001","30.498","0.004","90","","91.082","0.002","90","","3060.8","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H42 Cu2 Mo N16 O5 -","- C16 H32 Cu2 Mo N16 O5 -","- C64 H128 Cu8 Mo4 N64 O20 -","4","1","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2735","2743","10.1039/c0dt01213k","","","0.71073","MoKα","","0.0317","0.0292","","","0.0799","0.082","","","","","","1.097","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015124","13.423","0.003","28.041","0.006","30.947","0.006","90","","90","","90","","11648","4","123","2","123","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C60 H148 Cu6 Mo3 N42 O23 -","- C60 H102 Cu6 Mo3 N42 O23 -","- C240 H408 Cu24 Mo12 N168 O92 -","4","0.5","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2735","2743","10.1039/c0dt01213k","","","0.71073","MoKα","","0.0492","0.0457","","","0.1128","0.1157","","","","","","1.082","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015125","8.859","0.0018","10.339","0.002","17.049","0.003","72.71","0.03","80.79","0.03","75.28","0.03","1436","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H37 Cu2 Mo N14 O3.5 -","- C17 H30 Cu2 Mo N14 O3.5 -","- C34 H60 Cu4 Mo2 N28 O7 -","2","1","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2735","2743","10.1039/c0dt01213k","","","0.71073","MoKα","","0.0497","0.0392","","","0.0912","0.0934","","","","","","0.942","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015126","9.7662","0.0004","9.8685","0.0004","10.144","0.0004","69.106","0.002","68.746","0.002","86.295","0.002","848.89","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 N2 O8 S2 Zn -","- C12 H18 N2 O8 S2 Zn -","- C24 H36 N4 O16 S4 Zn2 -","2","1","","Muesmann, Thomas W. T.; Zitzer, Christina; Mietrach, Andrea; Klüner, Thorsten; Christoffers, Jens; Wickleder, Mathias S.","para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives‒studies towards polyhalogenated metal-organic-frameworks with sulfo analogues of terephthalic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3128","3141","10.1039/c0dt01223h","","","0.71073","MoKα","","0.0423","0.0233","","","0.0582","0.0627","","","","","","0.873","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015127","9.0518","0.0012","9.896","0.001","8.3148","0.0011","91.409","0.016","106.723","0.016","90.44","0.016","713.01","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 Cl4 N4 O10 S2 Zn -","- C18 H28 Cl4 N4 O10 S2 Zn -","- C18 H28 Cl4 N4 O10 S2 Zn -","1","0.5","","Muesmann, Thomas W. T.; Zitzer, Christina; Mietrach, Andrea; Klüner, Thorsten; Christoffers, Jens; Wickleder, Mathias S.","para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives‒studies towards polyhalogenated metal-organic-frameworks with sulfo analogues of terephthalic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3128","3141","10.1039/c0dt01223h","","","0.71073","MoKα","","0.0323","0.0257","","","0.0495","0.0501","","","","","","1.755","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015128","8.8901","0.0003","9.6891","0.0003","16.3307","0.0005","90","","106.524","0.002","90","","1348.58","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H0 F4 N4 O10 S2 Zn2 -","- C18 H28 F4 N4 O10 S2 Zn -","- C36 H56 F8 N8 O20 S4 Zn2 -","2","0.5","","Muesmann, Thomas W. T.; Zitzer, Christina; Mietrach, Andrea; Klüner, Thorsten; Christoffers, Jens; Wickleder, Mathias S.","para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives‒studies towards polyhalogenated metal-organic-frameworks with sulfo analogues of terephthalic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3128","3141","10.1039/c0dt01223h","","","0.71073","MoKα","","0.0884","0.0348","","","0.0679","0.0948","","","","","","0.88","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015129","7.2127","0.0002","21.4781","0.0006","9.7942","0.0003","90","","90","","90","","1517.27","0.08","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl4 Cu O10 S2 -","- C6 H8 Cl4 Cu O10 S2 -","- C24 H32 Cl16 Cu4 O40 S8 -","4","0.5","","Muesmann, Thomas W. T.; Zitzer, Christina; Mietrach, Andrea; Klüner, Thorsten; Christoffers, Jens; Wickleder, Mathias S.","para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives‒studies towards polyhalogenated metal-organic-frameworks with sulfo analogues of terephthalic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3128","3141","10.1039/c0dt01223h","","","0.71073","MoKα","","0.0308","0.0266","","","0.0707","0.0736","","","","","","1.032","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015130","11.5673","0.0016","5.5847","0.0005","10.723","0.0016","90","","91.488","0.017","90","","692.47","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Cl4 Na2 O8 S2 -","- C6 H4 Cl4 Na2 O8 S2 -","- C12 H8 Cl8 Na4 O16 S4 -","2","0.5","","Muesmann, Thomas W. T.; Zitzer, Christina; Mietrach, Andrea; Klüner, Thorsten; Christoffers, Jens; Wickleder, Mathias S.","para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives‒studies towards polyhalogenated metal-organic-frameworks with sulfo analogues of terephthalic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3128","3141","10.1039/c0dt01223h","","","0.71073","MoKα","","0.0234","0.0195","","","0.0515","0.0523","","","","","","1.013","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7015131","5.1045","0.0002","7.4468","0.0003","10.7777","0.0004","85.627","0.002","77.449","0.002","76.015","0.002","387.92","0.03","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Cu F4 O12 S2 -","- C6 H12 Cu F4 O12 S2 -","- C6 H12 Cu F4 O12 S2 -","1","0.5","","Muesmann, Thomas W. T.; Zitzer, Christina; Mietrach, Andrea; Klüner, Thorsten; Christoffers, Jens; Wickleder, Mathias S.","para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives‒studies towards polyhalogenated metal-organic-frameworks with sulfo analogues of terephthalic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3128","3141","10.1039/c0dt01223h","","","0.71073","MoKα","","0.0336","0.0265","","","0.0746","0.077","","","","","","1.059","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015132","12.99","0.005","26.243","0.005","18.903","0.005","90","","109.501","0.005","90","","6074","3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 N4 O16 Re4 S4 -","- C56 H40 N4 O16 Re4 S4 -","- C224 H160 N16 O64 Re16 S16 -","4","1","","Gupta, Deepak; Rajakannu, Palanisamy; Shankar, Bhaskaran; Shanmugam, Ramasamy; Hussain, Firasat; Sarkar, Biprajit; Sathiyendiran, Malaichamy","Furan-decorated neutral Re(i)-based 2D rectangle and 3D trigonal prism.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5433","5435","10.1039/c0dt01227k","","","0.71073","MoKα","","0.0505","0.0266","","","0.0408","0.0434","","","","","","0.867","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015133","23.2217","0.0003","23.2217","0.0003","29.1908","0.0006","90","","90","","120","","13632.2","0.4","183","2","183","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H54 N12 O24 Re6 S6 -","- C84 H54 N12 O24 Re6 S6 -","- C504 H324 N72 O144 Re36 S36 -","6","1","","Gupta, Deepak; Rajakannu, Palanisamy; Shankar, Bhaskaran; Shanmugam, Ramasamy; Hussain, Firasat; Sarkar, Biprajit; Sathiyendiran, Malaichamy","Furan-decorated neutral Re(i)-based 2D rectangle and 3D trigonal prism.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5433","5435","10.1039/c0dt01227k","","","0.71073","MoKα","","0.0985","0.0438","","","0.0395","0.0451","","","","","","0.814","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015134","9.2406","0.0017","9.5665","0.0017","9.8746","0.0018","66.661","0.003","80.464","0.003","67.465","0.003","740.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H34 Co4 O27 -","- C18 H34 Co4 O27 -","- C18 H34 Co4 O27 -","1","0.5","","Huang, Liang-Fang; Ji, Chang-Chun; Lu, Zhen-Zhong; Yao, Xiao-Qiang; Hu, Jin-Song; Zheng, He-Gen","Isomorphic coordination polymers of cobalt(II), zinc(II) with a flexible ligand of cis,cis,cis-1,2,3,4-cyclopentanetetracarboxylic acid and their molecular alloys: crystal structures, thermal decomposition mechanisms and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3183","3190","10.1039/c0dt01230k","","","0.71073","MoKα","","0.0533","0.0483","","","0.1267","0.1305","","","","","","1.017","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015135","9.2129","0.0016","9.6417","0.0016","9.9945","0.0017","65.041","0.003","80.05","0.003","66.997","0.003","740.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H34 O27 Zn4 -","- C18 H35 O27 Zn4 -","- C18 H35 O27 Zn4 -","1","0.5","","Huang, Liang-Fang; Ji, Chang-Chun; Lu, Zhen-Zhong; Yao, Xiao-Qiang; Hu, Jin-Song; Zheng, He-Gen","Isomorphic coordination polymers of cobalt(II), zinc(II) with a flexible ligand of cis,cis,cis-1,2,3,4-cyclopentanetetracarboxylic acid and their molecular alloys: crystal structures, thermal decomposition mechanisms and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3183","3190","10.1039/c0dt01230k","","","0.71073","MoKα","","0.0394","0.0359","","","0.0986","0.1004","","","","","","1.016","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015136","9.224","0.002","9.643","0.002","10.015","0.002","65.055","0.004","80.203","0.004","67.057","0.004","743.8","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Co2 O27 Zn2 -","- C18 H34 Co2 O27 Zn2 -","- C18 H34 Co2 O27 Zn2 -","1","0.5","","Huang, Liang-Fang; Ji, Chang-Chun; Lu, Zhen-Zhong; Yao, Xiao-Qiang; Hu, Jin-Song; Zheng, He-Gen","Isomorphic coordination polymers of cobalt(II), zinc(II) with a flexible ligand of cis,cis,cis-1,2,3,4-cyclopentanetetracarboxylic acid and their molecular alloys: crystal structures, thermal decomposition mechanisms and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3183","3190","10.1039/c0dt01230k","","","0.71073","MoKα","","0.0618","0.0496","","","0.122","0.1275","","","","","","1.016","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015137","12.393","0.006","13.632","0.008","15.539","0.008","104.788","0.014","108.411","0.006","100.221","0.013","2311","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H72 N4 Si4 Y -","- C38 H65 N4 Si4 Y -","- C76 H130 N8 Si8 Y2 -","2","1","","Luo, Yunjie; Fan, Shimin; Yang, Jianping; Fang, Jianghua; Xu, Ping","Rare earth metal bis(amide) complexes bearing amidinate ancillary ligands: synthesis, characterization, and performance as catalyst precursors for cis-1,4 selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3053","3059","10.1039/c0dt01241f","","","0.7107","MoKα","","0.1043","0.079","","","0.1641","0.1781","","","","","","1.117","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015138","12.3218","0.0012","13.9301","0.0013","18.273","0.002","77.021","0.008","81.07","0.008","71.718","0.007","2889.8","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H89 Cl Li Lu N4 O3 Si4 -","- C47 H65 Cl Li Lu N4 O3 Si4 -","- C94 H130 Cl2 Li2 Lu2 N8 O6 Si8 -","2","1","","Luo, Yunjie; Fan, Shimin; Yang, Jianping; Fang, Jianghua; Xu, Ping","Rare earth metal bis(amide) complexes bearing amidinate ancillary ligands: synthesis, characterization, and performance as catalyst precursors for cis-1,4 selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3053","3059","10.1039/c0dt01241f","","","0.7107","MoKα","","0.0721","0.0584","","","0.1367","0.149","","","","","","1.078","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015139","12.388","0.005","13.303","0.005","15.584","0.006","105.451","0.006","109.87","0.006","98.761","0.006","2242.9","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H63 N4 Si4 Y -","- C38.5 H59 N4 Si4 Y -","- C77 H118 N8 Si8 Y2 -","2","1","","Luo, Yunjie; Fan, Shimin; Yang, Jianping; Fang, Jianghua; Xu, Ping","Rare earth metal bis(amide) complexes bearing amidinate ancillary ligands: synthesis, characterization, and performance as catalyst precursors for cis-1,4 selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3053","3059","10.1039/c0dt01241f","","","0.7107","MoKα","","0.116","0.0903","","","0.2126","0.2297","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015140","11.8455","0.0005","17.3967","0.0009","24.6928","0.0011","100.75","0.004","98.088","0.004","108.911","0.004","4617.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H119 Cr6 F7 N2 O24 -","- C66 H119 Cr6 F7 N2 O24 -","- C132 H238 Cr12 F14 N4 O48 -","2","1","","Baker, Michael L.; Bianchi, Alberto; Carretta, Stefano; Collison, David; Docherty, Rebecca J.; McLnnes, Eric J. L.; McRobbie, Andrew; Muryn, Christopher A.; Mutka, Hannu; Piligkos, Stergios; Rancan, Marzio; Santini, Paolo; Timco, Grigore A.; Tregenna-Piggott, Philip L W; Tuna, Floriana; Güdel, Hans U; Winpenny, Richard E. P.","Varying spin state composition by the choice of capping ligand in a family of molecular chains: detailed analysis of magnetic properties of chromium(III) horseshoes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2725","2734","10.1039/c0dt01243b","","","0.71073","MoKα","","0.1402","0.0982","","","0.254","0.2775","","","","","","1.102","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015141","10.7296","0.0002","25.7495","0.0004","11.2096","0.0002","90","","97.289","0.002","90","","3071.98","0.09","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C32 H30 Cl2 F6 Fe3 O P -","- C32 H30 Cl2 F6 Fe3 O P -","- C128 H120 Cl8 F24 Fe12 O4 P4 -","4","2","","Butenschön, Holger; Ma, Jingxiang; Daniliuc, Constantin G.; Nowik, Israel; Herber, Rolfe H.","One electron oxidation of triferrocenylmethanol: synthesis, metal atom dynamics, electron delocalization, and the crystal structure of [Fc3COH](+) PF6⁻.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3671","3676","10.1039/c0dt01248c","","","1.54184","CuKα","","0.0469","0.0434","","","0.1114","0.1131","","","","","","1.107","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015142","10.639","0.002","13.638","0.003","13.834","0.003","71.06","0.03","78.05","0.03","86.37","0.03","1857.4","0.8","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 Ag Al F36 O8 S2 Se3 -","- C16 Ag Al F36 O8 S2 Se3 -","- C32 Ag2 Al2 F72 O16 S4 Se6 -","2","1","","Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping","Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5865","5880","10.1039/c0dt01251c","","x-ray","0.71073","MoKα","","0.1651","0.1104","","","0.2816","0.3321","","","","","","1.087","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015143","19.1532","0.0002","19.1532","0.0002","19.1532","0.0002","90","","90","","90","","7026.26","0.13","213","1","213","1","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- Ag2 F60 O16 S2 Sb2 Se6 Te12 -","- Ag2 F60 O15.96 S2 Sb2 Se6 Te12 -","- Ag8 F240 O63.84 S8 Sb8 Se24 Te48 -","4","0.166667","","Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping","Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5865","5880","10.1039/c0dt01251c","","x-ray","0.71073","MoKα","","0.0673","0.0502","","","0.0802","0.0852","","","","","","1.181","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015144","21.821","0.005","10.748","0.003","10.718","0.003","90","","119.113","0.003","90","","2196.1","1","173","1","173","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag3 F18 Sb3 Se6 -","- Ag3 F18 Sb3 Se6 -","- Ag12 F72 Sb12 Se24 -","4","0.5","","Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping","Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5865","5880","10.1039/c0dt01251c","","x-ray","0.71073","MoKα","","0.0605","0.0381","","","0.0885","0.0957","","","","","","1.095","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015145","9.284","0.009","15.491","0.007","5.29","0.002","90","","92.41","0.1","90","","760.1","0.9","173","1","173","1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag As F6 Se3 -","- Ag As F6 Se3 -","- Ag4 As4 F24 Se12 -","4","0.5","","Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping","Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5865","5880","10.1039/c0dt01251c","","x-ray","0.71073","MoKα","","0.0575","0.0322","","","0.0453","0.0483","","","","","","0.846","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015146","15.379","0.004","22.955","0.005","7.9671","0.0019","90","","97.769","0.004","90","","2786.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl Cr N8 O7 S2 -","- C18 H36 Cl Cr N8 O7 S2 -","- C72 H144 Cl4 Cr4 N32 O28 S8 -","4","1","","Saha, Rajat; Biswas, Susobhan; Steele, Ian M.; Dey, Kamalendu; Mostafa, Golam","A supramolecular spin crossover Fe(III) complex and its Cr(III) isomer: stabilization of water-chloride cluster within supramolecular host.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3166","3175","10.1039/c0dt01256d","","","0.71073","MoKα","","0.0739","0.044","","","0.0834","0.0904","","","","","","0.935","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015147","15.37","0.004","22.703","0.005","7.9312","0.0019","90","","97.217","0.004","90","","2745.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl Fe N8 O7 S2 -","- C18 H36 Cl Fe N8 O7 S2 -","- C72 H144 Cl4 Fe4 N32 O28 S8 -","4","1","","Saha, Rajat; Biswas, Susobhan; Steele, Ian M.; Dey, Kamalendu; Mostafa, Golam","A supramolecular spin crossover Fe(III) complex and its Cr(III) isomer: stabilization of water-chloride cluster within supramolecular host.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3166","3175","10.1039/c0dt01256d","","","0.71073","MoKα","","0.0619","0.0435","","","0.0929","0.0985","","","","","","0.959","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015148","9.7732","0.0002","24.6103","0.0005","10.1615","0.0002","90","","107.095","0.001","90","","2336.08","0.08","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Au2 Cl6 N6 -","- C16 H14 Au2 Cl6 N6 -","- C64 H56 Au8 Cl24 N24 -","4","1","","Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Sarkar, Biprajit; Hartenbach, Ingo; Fiedler, Jan; Kaim, Wolfgang","2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] and [AuCl2]+.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2757","2763","10.1039/c0dt01282c","","","0.71073","MoKα","","0.0473","0.0313","","","0.068","0.0728","","","","","","1.024","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015149","9.0875","0.0005","10.3843","0.0007","14.764","0.0008","90","","105.664","0.003","90","","1341.5","0.14","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N6 -","- C16 H14 N6 -","- C64 H56 N24 -","4","1","","Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Sarkar, Biprajit; Hartenbach, Ingo; Fiedler, Jan; Kaim, Wolfgang","2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] and [AuCl2]+.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2757","2763","10.1039/c0dt01282c","","","0.71073","MoKα","","0.0896","0.0634","","","0.1458","0.1626","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015150","14.5272","0.0005","9.5752","0.0004","13.5829","0.0005","90","","101.724","0.002","90","","1849.98","0.12","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N6 Pt -","- C16 H14 Cl2 N6 Pt -","- C64 H56 Cl8 N24 Pt4 -","4","1","","Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Sarkar, Biprajit; Hartenbach, Ingo; Fiedler, Jan; Kaim, Wolfgang","2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] and [AuCl2]+.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2757","2763","10.1039/c0dt01282c","","","0.71073","MoKα","","0.0596","0.0411","","","0.0985","0.1086","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015151","10.5576","0.0011","11.0223","0.0012","13.6843","0.0014","70.642","0.001","72.35","0.001","63.754","0.001","1324.2","0.2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cl Cu N3 P S2 -","- C26 H24 Cl Cu N3 P S2 -","- C52 H48 Cl2 Cu2 N6 P2 S4 -","2","1","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0661","0.0456","","","0.1324","0.148","","","","","","0.964","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015152","17.7919","0.0007","8.5738","0.0003","12.8045","0.0004","90","","90","","90","","1953.25","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H20 N6 Ni O2 S2 -","- C16 H20 N6 Ni O2 S2 -","- C64 H80 N24 Ni4 O8 S8 -","4","1","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0167","0.0161","","","0.0388","0.0391","","","","","","1.04","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015153","8.6756","0.001","14.178","0.0013","17.316","0.002","90","","93.068","0.008","90","","2126.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 N6 Ni O2 S2 -","- C18 H24 N6 Ni O2 S2 -","- C72 H96 N24 Ni4 O8 S8 -","4","2","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0312","0.0312","","","0.0912","0.0912","","","","","","1.193","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015154","40.74","0.002","18.3113","0.001","11.825","0.0007","90","","100.677","0.002","90","","8668.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N6 Ni O2 S2 -","- C26 H24 N6 Ni O2 S2 -","- C312 H288 N72 Ni12 O24 S24 -","12","1.5","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0364","0.0296","","","0.0746","0.0766","","","","","","1.074","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015155","14.768","0.002","27.394","0.003","4.882","0.0006","90","","90","","90","","1975","0.4","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H20 N6 Ni S4 -","- C16 H20 N6 Ni S4 -","- C64 H80 N24 Ni4 S16 -","4","","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0288","0.0261","","","0.0802","0.0815","","","","","","1.17","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015156","16.0268","0.0009","5.0807","0.0004","14.6896","0.0011","90","","113.493","0.003","90","","1096.99","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H24 N6 Ni S4 -","- C18 H24 N6 Ni S4 -","- C36 H48 N12 Ni2 S8 -","2","0.5","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0501","0.0373","","","0.0689","0.0734","","","","","","1.025","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015157","13.1262","0.0004","7.401","0.0002","20.7051","0.0005","90","","90","","90","","2011.44","0.1","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H24 N6 O3 S2 -","- C16 H24 N6 O3 S2 -","- C64 H96 N24 O12 S8 -","4","0.5","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0588","0.0392","","","0.1061","0.1124","","","","","","1.006","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015158","10.4662","0.0011","11.0814","0.0012","13.6967","0.0015","70.189","0.002","71.693","0.002","63.524","0.002","1312.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Br Cu N3 P S2 -","- C26 H26 Br Cu N3 P S2 -","- C52 H52 Br2 Cu2 N6 P2 S4 -","2","1","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0565","0.0398","","","0.0939","0.1142","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015159","38.531","0.002","12.5358","0.0007","15.0958","0.0009","90","","97.659","0.001","90","","7226.5","0.7","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","((mu-bipyridine)bis-((E)-2-((2- aminoethylimino)methyl)phenolato-methanol-copper(ii)))diperchlorate","((μ-bipyridine)bis-[(E)-2-((2-aminoethylimino)methyl)phenolato-methanol- copper(II)])diperchlorate","","- C30 H38 Cl2 Cu2 N6 O12 -","- C30 H38 Cl2 Cu2 N6 O12 -","- C240 H304 Cl16 Cu16 N48 O96 -","8","1","","Rigamonti, Luca; Forni, Alessandra; Pievo, Roberta; Reedijk, Jan; Pasini, Alessandro","Synthesis, crystal structures and magnetic properties of dinuclear copper(II) compounds with NNO tridentate Schiff base ligands and bridging aliphatic diamine and aromatic diimine linkers.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3381","3393","10.1039/c0dt01304h","","","0.71073","MoKα","","0.0514","0.0352","","","0.0941","0.1031","","","","","","1.027","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015160","7.2758","0.0003","8.7094","0.0004","10.8201","0.0005","93.566","0.001","98.3","0.001","93.424","0.001","675.51","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","((mu-piperazine)bis-((E)-2-((2- aminoethylimino)methyl)phenolato-copper(ii)))diperchlorate","((μ-piperazine)bis-[(E)-2-((2-aminoethylimino)methyl)phenolato- copper(II)])diperchlorate","","- C22 H32 Cl2 Cu2 N6 O10 -","- C22 H32 Cl2 Cu2 N6 O10 -","- C22 H32 Cl2 Cu2 N6 O10 -","1","0.5","","Rigamonti, Luca; Forni, Alessandra; Pievo, Roberta; Reedijk, Jan; Pasini, Alessandro","Synthesis, crystal structures and magnetic properties of dinuclear copper(II) compounds with NNO tridentate Schiff base ligands and bridging aliphatic diamine and aromatic diimine linkers.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3381","3393","10.1039/c0dt01304h","","","0.71073","MoKα","","0.0254","0.0225","","","0.0613","0.0629","","","","","","1.05","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015161","10.0625","0.0009","18.8831","0.0017","20.6196","0.0019","90","","90","","90","","3918","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((mu-bipyridine)bis-((E)-2-((2- aminopropylimino)methyl)phenolato-methanol-copper(ii)))diperchlorate","((μ-bipyridine)bis-[(E)-2-((2-aminopropylimino)methyl)phenolato-methanol- copper(II)])diperchlorate","","- C32 H42 Cl2 Cu2 N6 O12 -","- C32 H42 Cl2 Cu2 N6 O12 -","- C128 H168 Cl8 Cu8 N24 O48 -","4","1","","Rigamonti, Luca; Forni, Alessandra; Pievo, Roberta; Reedijk, Jan; Pasini, Alessandro","Synthesis, crystal structures and magnetic properties of dinuclear copper(II) compounds with NNO tridentate Schiff base ligands and bridging aliphatic diamine and aromatic diimine linkers.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3381","3393","10.1039/c0dt01304h","","","0.71073","MoKα","","0.0743","0.0413","","","0.102","0.1182","","","","","","1.035","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015162","7.8017","0.0005","9.3998","0.0006","10.7936","0.0006","95.374","0.001","106.092","0.001","99.776","0.001","741.16","0.08","294","2","294","2","","","","","","","","6","P -1","-P 1","2","((mu-piperazine)bis-((E)-2-((2- aminopropylimino)methyl)phenolato-copper(ii)))diperchlorate","((μ-piperazine)bis-[(E)-2-((2-aminopropylimino)methyl)phenolato- copper(II)])diperchlorate","","- C24 H36 Cl2 Cu2 N6 O10 -","- C24 H36 Cl2 Cu2 N6 O10 -","- C24 H36 Cl2 Cu2 N6 O10 -","1","0.5","","Rigamonti, Luca; Forni, Alessandra; Pievo, Roberta; Reedijk, Jan; Pasini, Alessandro","Synthesis, crystal structures and magnetic properties of dinuclear copper(II) compounds with NNO tridentate Schiff base ligands and bridging aliphatic diamine and aromatic diimine linkers.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3381","3393","10.1039/c0dt01304h","","","0.71073","MoKα","","0.0328","0.0284","","","0.0782","0.081","","","","","","1.051","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015163","22.441","0.003","8.2417","0.001","19.432","0.002","90","","112.963","0.001","90","","3309.2","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","((mu-bipyridine)bis-((E)-2-((2-aminoethylimino)methyl)4- methoxyphenolato-copper(ii)))diperchlorate","((μ-bipyridine)bis-[(E)-2-((2-aminoethylimino)methyl)4-methoxyphenolato- copper(II)])diperchlorate","","- C30 H34 Cl2 Cu2 N6 O12 -","- C30 H34 Cl2 Cu2 N6 O12 -","- C120 H136 Cl8 Cu8 N24 O48 -","4","0.5","","Rigamonti, Luca; Forni, Alessandra; Pievo, Roberta; Reedijk, Jan; Pasini, Alessandro","Synthesis, crystal structures and magnetic properties of dinuclear copper(II) compounds with NNO tridentate Schiff base ligands and bridging aliphatic diamine and aromatic diimine linkers.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3381","3393","10.1039/c0dt01304h","","","0.71073","MoKα","","0.0434","0.0371","","","0.0995","0.1047","","","","","","1.066","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015164","14.72","0.003","6.101","0.001","15.25","0.003","90","","99.47","0.03","90","","1350.9","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 -","- C15 H14 N4 -","- C60 H56 N16 -","4","1","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.0941","0.0445","","","0.1051","0.1178","","","","","","0.987","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015165","10.882","0.002","9.5745","0.0019","11.431","0.003","90","","100.539","0.007","90","","1170.9","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.1452","0.0681","","","0.1727","0.203","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015166","13.339","0.004","14.079","0.002","14.76","0.002","115.86","0.007","106.66","0.01","95.185","0.01","2313.8","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H37 Cl8 N8 Zn2 -","- C46 H37 Cl8 N8 Zn2 -","- C92 H74 Cl16 N16 Zn4 -","2","1","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.2465","0.0849","","","0.1953","0.2361","","","","","","0.899","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015167","9.1248","0.0013","19.257","0.002","8.5252","0.0013","90","","100.611","0.009","90","","1472.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C68 H64 N16 O4 -","4","1","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.0851","0.0476","","","0.0985","0.1094","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015168","11.524","0.0002","15.475","0.0003","15.8961","0.0003","109.561","0.002","107.565","0.001","101.401","0.001","2401.75","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H39 Cl4 N11 Zn2 -","- C48 H39 Cl4 N11 Zn2 -","- C96 H78 Cl8 N22 Zn4 -","2","1","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.0513","0.0358","","","0.0868","0.0912","","","","","","1.058","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015169","11.897","0.001","13.2519","0.0012","15.2286","0.0018","64.537","0.003","73.91","0.006","76.324","0.004","2063.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Cl4 N9 Zn2 -","- C42 H29 Cl4 N9 Zn2 -","- C84 H58 Cl8 N18 Zn4 -","2","1","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.0711","0.0506","","","0.1431","0.1517","","","","","","1.096","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015170","9.264","0.003","11.425","0.003","16.053","0.005","79.809","0.018","82.01","0.017","83.249","0.019","1648.5","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 N8 -","- C42 H30 N8 -","- C84 H60 N16 -","2","1","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.2017","0.0596","","","0.0997","0.1243","","","","","","0.832","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015171","14.515","0.0018","11.79","0.0014","18.222","0.002","90","","101.602","0.005","90","","3054.7","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N8 -","- C40 H26 N8 -","- C160 H104 N32 -","4","1","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.1021","0.0444","","","0.0894","0.102","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015172","9.91","0.0012","15.452","0.002","15.745","0.002","109.997","0.008","103.44","0.01","94.45","0.008","2170.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H33 Br2 N9 Ni -","- C44 H33 Br2 N9 Ni -","- C88 H66 Br4 N18 Ni2 -","2","1","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.1156","0.0633","","","0.1546","0.1735","","","","","","0.944","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015173","16.0297","0.0017","16.1944","0.0017","17.5912","0.0018","98.066","0.006","97.01","0.01","105.495","0.006","4295.7","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Br2 N8 Ni O2 -","- C42 H30 Br2 N8 Ni O2 -","- C168 H120 Br8 N32 Ni4 O8 -","4","2","","Li, Lidong; Gomes, Clara S. B.; Gomes, Pedro T.; Duarte, M. Teresa; Fan, Zhiqiang","New tetradentate N,N,N,N-chelating α-diimine ligands and their corresponding zinc and nickel complexes: synthesis, characterisation and testing as olefin polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3365","3380","10.1039/c0dt01308k","","x-ray","0.71073","MoKα","","0.1112","0.0641","","","0.1664","0.183","","","","","","0.938","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015174","11.348","0.003","12.09","0.004","8.619","0.003","90","","98.098","0.005","90","","1170.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","work","","","- C9 H17 N3 O3 -","- C9 H17 N3 O3 -","- C36 H68 N12 O12 -","4","1","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.0728","0.0614","","","0.1331","0.139","","","","","","1.11","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015175","6.9494","0.0014","13.498","0.003","14.301","0.003","108.286","0.003","101.346","0.003","91.652","0.003","1242.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","work","","","- C5 H8 N2 S -","- C5 H8 N2 S -","- C40 H64 N16 S8 -","8","4","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.0774","0.0457","","","0.0807","0.0886","","","","","","0.88","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015176","13.684","0.0019","13.5223","0.0018","16.365","0.002","90","","107.753","0.002","90","","2884","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","work","","","- C15 H11 Au F5 N3 -","- C15 H11 Au F5 N3 -","- C120 H88 Au8 F40 N24 -","8","2","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.0504","0.0371","","","0.0742","0.0804","","","","","","1.071","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015177","9.309","0.002","9.355","0.002","11.773","0.003","99.08","0.003","112.817","0.003","96.171","0.003","917","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C18 H16 Au F5 N2 O S -","- C18 H16 Au F5 N2 O S -","- C36 H32 Au2 F10 N4 O2 S2 -","2","1","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.0376","0.0315","","","0.0743","0.0776","","","","","","1.071","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015178","6.7762","0.0014","17.691","0.004","15.393","0.003","90","","114.25","0.03","90","","1682.5","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","work","","","- C14 H14 Au F5 N2 O S -","- C14 H14 Au F5 N2 O S -","- C56 H56 Au4 F20 N8 O4 S4 -","4","1","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.037","0.0278","","","0.0585","0.062","","","","","","0.972","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015179","9.3222","0.0016","15.499","0.003","17.446","0.003","90","","96.825","0.003","90","","2502.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","work","","","- C27 H26 Au N4 O3 P -","- C27 H26 Au N4 O3 P -","- C108 H104 Au4 N16 O12 P4 -","4","1","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.0332","0.0254","","","0.0568","0.061","","","","","","1.081","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015180","8.1497","0.0007","9.4618","0.0011","17.913","0.0016","86.292","0.002","80.051","0.002","64.497","0.002","1227.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C26 H23 Au N3 O3 P S -","- C26 H23 Au N3 O3 P S -","- C52 H46 Au2 N6 O6 P2 S2 -","2","1","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.0574","0.0445","","","0.0839","0.0897","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015181","35.318","0.005","35.318","0.005","11.178","0.002","90","","90","","120","","12075","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","work","","","- C72 H71 Au3 F9 N6 O10 P3 S6 -","- C72 H70.998 Au3 F9 N6 O10 P3 S6 -","- C432 H425.988 Au18 F54 N36 O60 P18 S36 -","6","0.333333","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.0515","0.0343","","","0.0713","0.0768","","","","","","1.032","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015182","9.1086","0.0014","10.9681","0.0016","12.2928","0.0018","86.931","0.002","85.686","0.002","82.015","0.002","1211.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C41 H64 Au2 Cl2 N12 O6 -","- C41 H64 Au2 Cl2 N12 O6 -","- C41 H64 Au2 Cl2 N12 O6 -","1","0.5","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.0274","0.0265","","","0.0646","0.0652","","","","","","1.114","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015183","14.381","0.002","13.755","0.002","20.62","0.003","90","","98.291","0.003","90","","4036.2","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","work","","","- C35 H30 Cl2 F6 N6 O6 S6 -","- C35 H30 Cl2 F6 N6 O6 S6 -","- C140 H120 Cl8 F24 N24 O24 S24 -","4","1","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.126","0.0763","","","0.1656","0.1917","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015184","5.004","0.0003","15.4165","0.0008","15.0856","0.0005","90","","90.843","0.003","90","","1163.64","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br N2 Se -","- C12 H9 Br N2 Se -","- C48 H36 Br4 N8 Se4 -","4","1","","Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.","Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4489","4496","10.1039/c0dt01319f","","","0.71073","MoKα","","0.082","0.0327","","","0.0526","0.0571","","","","","","0.84","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015186","4.7893","0.0002","18.4538","0.001","13.7159","0.0009","90","","91.237","0.006","90","","1211.94","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 I N2 Se -","- C12 H9 I N2 Se -","- C48 H36 I4 N8 Se4 -","4","1","","Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.","Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4489","4496","10.1039/c0dt01319f","","","0.71073","MoKα","","0.1091","0.0509","","","0.1101","0.121","","","","","","0.868","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015187","21.7803","0.0005","7.4278","0.0002","28.0087","0.0008","90","","90","","90","","4531.2","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl N2 Se -","- C12 H9 Cl N2 Se -","- C192 H144 Cl16 N32 Se16 -","16","2","","Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.","Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4489","4496","10.1039/c0dt01319f","","","0.71073","MoKα","","0.1585","0.0639","","","0.1548","0.2254","","","","","","1.094","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015188","6.6012","0.0002","14.1846","0.0005","21.3931","0.0006","90","","91.785","0.003","90","","2002.18","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N4 Se -","- C24 H18 N4 Se -","- C96 H72 N16 Se4 -","4","1","","Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.","Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4489","4496","10.1039/c0dt01319f","","","0.71073","MoKα","","0.1317","0.0817","","","0.1888","0.2109","","","","","","1.112","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015189","9.6472","0.0004","11.744","0.0005","11.9908","0.0005","101.132","0.002","93.506","0.002","106.257","0.001","1270.05","0.09","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C50 H40 Cl6 Mo O6 P2 Re -","- C50 H40 Cl6 Mo O6 P2 Re -","- C50 H40 Cl6 Mo O6 P2 Re -","1","1","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan","Synthesis, crystal structure and magnetic properties of an oxalato-bridged Re(IV)Mo(VI) heterobimetallic complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4818","4820","10.1039/c0dt01323d","","","0.71073","MoKα","","0.0886","0.0822","","","0.2128","0.2193","","","","","","1.082","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015190","12.2047","0.0005","11.7402","0.0005","14.5635","0.0006","90","","114.478","0.001","90","","1899.18","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl N2 O Pd -","- C24 H17 Cl N2 O Pd -","- C96 H68 Cl4 N8 O4 Pd4 -","4","1","","Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis","Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3537","3546","10.1039/c0dt01337d","","","0.71073","MoKα","","0.0242","0.0227","","","0.0543","0.0553","","","","","","1.043","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015191","9.8956","0.0004","28.7252","0.0012","12.3772","0.0005","90","","106.029","0.001","90","","3381.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H27 Cl3 N6 Pd2 S2 -","- C35 H27 Cl3 N6 Pd2 S2 -","- C140 H108 Cl12 N24 Pd8 S8 -","4","1","","Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis","Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3537","3546","10.1039/c0dt01337d","","","0.71073","MoKα","","0.0461","0.0432","","","0.0965","0.0988","","","","","","1.179","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015192","7.732","0.0003","16.2417","0.0007","22.1839","0.001","90","","90","","90","","2785.9","0.2","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C18 H12 N2 O Pd -","- C18 H12 N2 O Pd -","- C144 H96 N16 O8 Pd8 -","8","1","","Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis","Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3537","3546","10.1039/c0dt01337d","","","0.71073","MoKα","","0.0377","0.0361","","","0.0905","0.0916","","","","","","1.106","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015193","8.5048","0.0001","13.0128","0.0003","13.1424","0.0002","90","","95.25","0.001","90","","1448.38","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl2 N3 Zn -","- C13 H15 Cl2 N3 Zn -","- C52 H60 Cl8 N12 Zn4 -","4","1","","Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried","Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5090","5101","10.1039/c0dt01339k","","","0.71073","MoKα","","0.0311","0.0262","","","0.0754","0.0781","","","","","","1.122","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015194","9.2065","0.0018","11.23","0.002","17.138","0.003","90","","101.09","0.03","90","","1738.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 N4 Zn -","- C17 H16 Cl2 N4 Zn -","- C68 H64 Cl8 N16 Zn4 -","4","1","","Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried","Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5090","5101","10.1039/c0dt01339k","","","0.71073","MoKα","","0.0459","0.0292","","","0.0683","0.0789","","","","","","0.873","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015195","9.4941","0.0001","10.8919","0.0002","12.8792","0.0002","100.878","0.001","94.965","0.002","108.341","0.001","1226.14","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 F6 N4 O7 S2 Zn -","- C19 H18 F6 N4 O7 S2 Zn -","- C38 H36 F12 N8 O14 S4 Zn2 -","2","1","","Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried","Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5090","5101","10.1039/c0dt01339k","","","0.71073","MoKα","","0.0479","0.0323","","","0.0856","0.091","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015196","17.762","0.004","20.211","0.004","24.377","0.005","90","","100.35","0.03","90","","8609","3","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C102 H94 B2 Cu2 N12 O -","- C102 H94 B2 Cu2 N12 O -","- C408 H376 B8 Cu8 N48 O4 -","4","1","","Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried","Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5090","5101","10.1039/c0dt01339k","","","0.71073","MoKα","","0.0795","0.0461","","","0.0941","0.1057","","","","","","0.924","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015197","9.2409","0.0018","9.5985","0.0019","10.721","0.002","75.35","0.03","83.59","0.03","88.29","0.03","914.3","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 F3 N4 O4 S -","- C17 H17 F3 N4 O4 S -","- C34 H34 F6 N8 O8 S2 -","2","1","","Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried","Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5090","5101","10.1039/c0dt01339k","","","0.71073","MoKα","","0.0631","0.0573","","","0.1593","0.1656","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015198","15.2535","0.0004","7.4124","0.0001","29.1536","0.0006","90","","92.344","0.002","90","","3293.5","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl2 N4 Zn -","- C16 H14 Cl2 N4 Zn -","- C128 H112 Cl16 N32 Zn8 -","8","1","","Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried","Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5090","5101","10.1039/c0dt01339k","","","0.71073","MoKα","","0.0714","0.0359","","","0.0705","0.0762","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015199","23.404","0.005","12.22","0.002","17.155","0.003","90","","123.83","0.03","90","","4075.6","1.9","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 F6 N8 O8 S2 Zn -","- C36 H36 F6 N8 O8 S2 Zn -","- C144 H144 F24 N32 O32 S8 Zn4 -","4","0.5","","Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried","Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5090","5101","10.1039/c0dt01339k","","","0.71073","MoKα","","0.1456","0.0588","","","0.1183","0.1453","","","","","","0.86","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015200","13.411","0.003","9.53","0.0019","17.636","0.004","90","","95.72","0.03","90","","2242.8","0.9","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cu2 F6 N10 O8 S2 -","- C40 H42 Cu2 F6 N10 O8 S2 -","- C80 H84 Cu4 F12 N20 O16 S4 -","2","0.5","","Beitat, Alexander; Foxon, Simon P.; Brombach, Christoph-Cornelius; Hausmann, Heike; Heinemann, Frank W.; Hampel, Frank; Monkowius, Uwe; Hirtenlehner, Christa; Knör, Günther; Schindler, Siegfried","Syntheses, emission properties and intramolecular ligand exchange of zinc complexes with ligands belonging to the tmpa family.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5090","5101","10.1039/c0dt01339k","","","0.71073","MoKα","","0.0502","0.041","","","0.1126","0.1182","","","","","","1.07","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015201","9.17","0.0008","12.5805","0.0011","19.3814","0.0017","76.431","0.002","81.763","0.002","75.643","0.002","2097","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 Cl Mn N4 O7 -","- C17 H21 Cl Mn N4 O7 -","- C68 H84 Cl4 Mn4 N16 O28 -","4","2","","Seidler-Egdal, Rune Kirk; Nielsen, Anne; Bond, Andrew D.; Bjerrum, Morten J.; McKenzie, Christine J.","High turnover catalysis of water oxidation by Mn(II) complexes of monoanionic pentadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3849","3858","10.1039/c0dt01340d","","","0.71073","MoKα","","0.1498","0.0895","","","0.2364","0.2723","","","","","","1.033","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015202","13.4609","0.0013","9.6079","0.0009","20.2349","0.0019","90","","91.263","0.004","90","","2616.4","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cl Mn N4 O7 -","- C24 H29 Cl Mn N4 O7 -","- C96 H116 Cl4 Mn4 N16 O28 -","4","1","","Seidler-Egdal, Rune Kirk; Nielsen, Anne; Bond, Andrew D.; Bjerrum, Morten J.; McKenzie, Christine J.","High turnover catalysis of water oxidation by Mn(II) complexes of monoanionic pentadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3849","3858","10.1039/c0dt01340d","","","0.71073","MoKα","","0.1014","0.0461","","","0.1028","0.1252","","","","","","1.026","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015203","19.7328","0.0004","11.6301","0.0002","23.732","0.0005","90","","91.481","0.002","90","","5444.54","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H74 Ce N3 O22 P4 -","- C40 H72 Ce N3 O23 P4 -","- C160 H288 Ce4 N12 O92 P16 -","4","0.5","","Hu, Xiong; Dou, Wei; Xu, Chan; Tang, Xiaoliang; Zheng, Jiangrong; Liu, Weisheng","Lanthanide radii controlled one-dimensional polymer and dinuclear complexes and their fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3412","3418","10.1039/c0dt01350a","","","0.71073","MoKα","","0.0555","0.0467","","","0.137","0.146","","","","","","1.041","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015204","7.858","0.006","23.474","0.016","18.026","0.013","90","","101.88","0.008","90","","3254","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Dy N3 O16 P2 -","- C20 H38 Dy N3 O16 P2 -","- C80 H152 Dy4 N12 O64 P8 -","4","1","","Hu, Xiong; Dou, Wei; Xu, Chan; Tang, Xiaoliang; Zheng, Jiangrong; Liu, Weisheng","Lanthanide radii controlled one-dimensional polymer and dinuclear complexes and their fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3412","3418","10.1039/c0dt01350a","","","0.71073","MoKα","","0.0932","0.0514","","","0.0951","0.111","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015205","11.5103","0.0004","15.1444","0.0005","17.5398","0.0006","90.346","0.002","93.762","0.002","95.568","0.002","3036.26","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H58 Er N3 O20 P3 -","- C30 H58 Er N3 O20 P3 -","- C60 H116 Er2 N6 O40 P6 -","2","1","","Hu, Xiong; Dou, Wei; Xu, Chan; Tang, Xiaoliang; Zheng, Jiangrong; Liu, Weisheng","Lanthanide radii controlled one-dimensional polymer and dinuclear complexes and their fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3412","3418","10.1039/c0dt01350a","","","0.71073","MoKα","","0.062","0.0499","","","0.1367","0.1447","","","","","","1.096","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015206","10.562","0.002","16.909","0.004","25.421","0.005","90","","105.468","0.012","90","","4375.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 Eu N3 O18 P3 -","- C30 H54 Eu N3 O18 P3 -","- C120 H216 Eu4 N12 O72 P12 -","4","1","","Hu, Xiong; Dou, Wei; Xu, Chan; Tang, Xiaoliang; Zheng, Jiangrong; Liu, Weisheng","Lanthanide radii controlled one-dimensional polymer and dinuclear complexes and their fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3412","3418","10.1039/c0dt01350a","","","0.71073","MoKα","","0.1397","0.0604","","","0.0955","0.1096","","","","","","1.095","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015207","10.5749","0.0009","16.9082","0.0013","24.7932","0.0019","90","","98.655","0.004","90","","4382.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 N3 Nd O18 P3 -","- C30 H54 N3 Nd O18 P3 -","- C120 H216 N12 Nd4 O72 P12 -","4","1","","Hu, Xiong; Dou, Wei; Xu, Chan; Tang, Xiaoliang; Zheng, Jiangrong; Liu, Weisheng","Lanthanide radii controlled one-dimensional polymer and dinuclear complexes and their fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3412","3418","10.1039/c0dt01350a","","","0.71073","MoKα","","0.0478","0.0319","","","0.0734","0.0817","","","","","","1.048","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015208","10.3803","0.001","10.8448","0.001","24.194","0.002","93.937","0.004","93.343","0.004","113.073","0.005","2489","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H60 N3 O19 P3 Sm -","- C32 H60 N3 O19 P3 Sm -","- C64 H120 N6 O38 P6 Sm2 -","2","1","","Hu, Xiong; Dou, Wei; Xu, Chan; Tang, Xiaoliang; Zheng, Jiangrong; Liu, Weisheng","Lanthanide radii controlled one-dimensional polymer and dinuclear complexes and their fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3412","3418","10.1039/c0dt01350a","","","0.71073","MoKα","","0.0694","0.0496","","","0.1307","0.1475","","","","","","1.072","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015209","21.687","0.005","20.079","0.005","22.8","0.005","90","0.005","114.56","0.005","90","0.005","9030","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","TITANIUM CLUSTER","","","- C108 H180 Cl12 O16 S20 Sn12 Ti12 -","- C108 H180 Cl12 O16 S20 Sn12 Ti12 -","- C216 H360 Cl24 O32 S40 Sn24 Ti24 -","2","0.5","","Singh, Neetu; Bhattacharya, Subrato","Synthesis and structural studies of an electron deficient hexatitanium cluster dication stabilized by novel tritin anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2707","2710","10.1039/c0dt01353f","","","0.71073","MoKα","","0.226","0.0654","","","0.0936","0.1392","","","","","","0.808","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015210","19.115","0.003","19.488","0.003","21.356","0.002","90","","90","","90","","7955.4","1.9","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H90 Cl2 O8 S12 Sn6 Ti6 -","- C54 H90 Cl2 O8 S12 Sn6 Ti6 -","- C216 H360 Cl8 O32 S48 Sn24 Ti24 -","4","0.5","","Singh, Neetu; Bhattacharya, Subrato","Synthesis and structural studies of an electron deficient hexatitanium cluster dication stabilized by novel tritin anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2707","2710","10.1039/c0dt01353f","","","0.71073","MoKα","","0.1387","0.0836","","","0.1605","0.194","","","","","","1.157","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015211","12.4103","0.0013","17.8623","0.0018","17.8807","0.0018","90","","100.416","0.002","90","","3898.4","0.7","100","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Co complexes","Co complexes","","- C42 H38 Cl2 Co N6 O9 -","- C42 H38 Cl2 Co N6 O9 -","- C168 H152 Cl8 Co4 N24 O36 -","4","1","","Ramakrishnan, Sethu; Suresh, Eringadothi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar; Palaniandavar, Mallayan","Interaction of rac-[M(diimine)3]2+ (M=Co, Ni) complexes with CT DNA: role of 5,6-dmp ligand on DNA binding and cleavage and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3245","3256","10.1039/c0dt01360a","","","0.71073","MoKα","","0.104","0.0769","","","0.1437","0.1528","","","","","","1.197","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015212","12.3533","0.0011","17.9463","0.0017","17.7582","0.0016","90","","100.214","0.002","90","","3874.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni complexes","Ni complexes","","- C42 H38 Cl2 N6 Ni O9 -","- C42 H38 Cl2 N6 Ni O9 -","- C168 H152 Cl8 N24 Ni4 O36 -","4","1","","Ramakrishnan, Sethu; Suresh, Eringadothi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar; Palaniandavar, Mallayan","Interaction of rac-[M(diimine)3]2+ (M=Co, Ni) complexes with CT DNA: role of 5,6-dmp ligand on DNA binding and cleavage and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3245","3256","10.1039/c0dt01360a","","","0.71073","MoKα","","0.1323","0.0842","","","0.1523","0.169","","","","","","1.08","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015213","7.468","0.003","18.049","0.007","13.623","0.006","90","","101.915","0.005","90","","1796.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 Ir2 N2 -","- C40 H44 Cl2 Ir2 N2 -","- C80 H88 Cl4 Ir4 N4 -","2","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.0461","0.0276","","","0.045","0.0471","","","","","","0.829","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015214","16.338","0.007","10.244","0.005","13.969","0.006","90","","105.319","0.006","90","","2254.9","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl6 Ir2 N2 O2 -","- C44 H52 Cl6 Ir2 N2 O2 -","- C88 H104 Cl12 Ir4 N4 O4 -","2","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.0506","0.0345","","","0.0694","0.0723","","","","","","0.897","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015215","16.297","0.007","10.25","0.004","14.028","0.006","90","","105.111","0.005","90","","2262.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl6 N2 O2 Rh2 -","- C44 H52 Cl6 N2 O2 Rh2 -","- C88 H104 Cl12 N4 O4 Rh4 -","2","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.0483","0.0382","","","0.0909","0.0949","","","","","","1.01","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015216","33.826","0.015","18.632","0.008","19.427","0.009","90","","109.08","0.007","90","","11571","9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H96 F12 Ir4 N8 O12 S4 -","- C92 H96 F12 Ir4 N8 O12 S4 -","- C368 H384 F48 Ir16 N32 O48 S16 -","4","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.1173","0.0544","","","0.1144","0.1275","","","","","","0.758","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015217","17.03","0.03","18.63","0.03","17.4","0.03","90","","114.6","0.02","90","","5019","15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H112 F12 Ir4 N8 O18 S4 -","- C98 H112 F12 Ir4 N8 O18 S4 -","- C196 H224 F24 Ir8 N16 O36 S8 -","2","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.1298","0.0568","","","0.1036","0.1194","","","","","","0.782","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015218","16.551","0.01","34.96","0.02","21.073","0.013","90","","106.644","0.009","90","","11682","12","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H108 Cl4 F12 Ir4 N8 O12 S4 -","- C98 H108 Cl4 F12 Ir4 N8 O12 S4 -","- C392 H432 Cl16 F48 Ir16 N32 O48 S16 -","4","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.1163","0.0459","","","0.0827","0.0914","","","","","","0.707","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015219","11.693","0.01","33.35","0.03","15.824","0.014","90","","109.94","0.012","90","","5801","9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H108 Cl4 F12 N8 O12 Rh4 S4 -","- C98 H108 Cl4 F12 N8 O12 Rh4 S4 -","- C196 H216 Cl8 F24 N16 O24 Rh8 S8 -","2","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.1199","0.0645","","","0.154","0.1693","","","","","","0.866","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015220","22.261","0.012","8.705","0.005","22.589","0.012","90","","90.839","0.007","90","","4377","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Cl2 Ir2 N2 -","- C40 H44 Cl2 Ir2 N2 -","- C160 H176 Cl8 Ir8 N8 -","4","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.0516","0.0339","","","0.0683","0.0705","","","","","","0.822","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015221","27.594","0.009","12.355","0.004","12.452","0.004","90","","96.464","0.004","90","","4218","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H50 Cl4 Ir2 N2 O2 -","- C43 H50 Cl4 Ir2 N2 O2 -","- C172 H200 Cl16 Ir8 N8 O8 -","4","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.0415","0.0304","","","0.0739","0.0765","","","","","","0.947","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015222","27.719","0.012","22.208","0.012","20.173","0.01","90","","119.209","0.009","90","","10839","9","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C92 H98 F12 Ir4 N8 O13 S4 -","- C90 H96 F6 Ir4 N8 O7 S2 -","- C360 H384 F24 Ir16 N32 O28 S8 -","4","0.5","","Li, Hao; Han, Ying-Feng; Jin, Guo-Xin","Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4982","4993","10.1039/c0dt01377c","","","0.71073","MoKα","","0.111","0.0529","","","0.1226","0.1359","","","","","","0.828","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015223","7.7321","0.0012","7.8896","0.0012","11.4945","0.0017","107.832","0.002","107.827","0.002","92.642","0.002","627.85","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","05357","","","- C17 H42 Cl4 Fe2 N6 O -","- C17 H42 Cl4 Fe2 N6 O -","- C17 H42 Cl4 Fe2 N6 O -","1","0.5","","Pawlak, Piotr L.; Panda, Manashi; Loloee, Reza; Kucera, Benjamin E.; Costes, Jean-Pierre; Tuchagues, Jean-Pierre; Chavez, Ferman A.","New binuclear Mn(II) and Fe(II) complexes supported by 1,4,8-triazacycloundecane.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2926","2931","10.1039/c0dt01379j","","","0.71073","MoKα","","0.0271","0.023","","","0.0596","0.0626","","","","","","1.052","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015224","7.7607","0.0012","7.9068","0.0012","11.6111","0.0018","108.201","0.002","108.041","0.002","92.118","0.003","636.47","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","05358","","","- C17 H42 Cl4 Mn2 N6 O -","- C17 H42 Cl4 Mn2 N6 O -","- C17 H42 Cl4 Mn2 N6 O -","1","0.5","","Pawlak, Piotr L.; Panda, Manashi; Loloee, Reza; Kucera, Benjamin E.; Costes, Jean-Pierre; Tuchagues, Jean-Pierre; Chavez, Ferman A.","New binuclear Mn(II) and Fe(II) complexes supported by 1,4,8-triazacycloundecane.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2926","2931","10.1039/c0dt01379j","","","0.71073","MoKα","","0.0315","0.0253","","","0.0574","0.0596","","","","","","1.033","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015225","8.0003","0.0019","8.957","0.002","12.129","0.003","90","","102.276","0.005","90","","849.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H18 Br2 N4 O3 Pt S -","- C11 H18 Br2 N4 O3 Pt S -","- C22 H36 Br4 N8 O6 Pt2 S2 -","2","0.5","","Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy","N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4402","4406","10.1039/c0dt01380c","","","0.71073","MoKα","","0.0647","0.0544","","","0.1434","0.1499","","","","","","1.016","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015226","10.6151","0.0006","17.5119","0.001","23.4857","0.0013","90","","90","","90","","4365.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl N6 O2 Pt -","- C22 H23 Cl N6 O2 Pt -","- C176 H184 Cl8 N48 O16 Pt8 -","8","1","","Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy","N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4402","4406","10.1039/c0dt01380c","","","0.71073","MoKα","","0.0325","0.0277","","","0.0683","0.0701","","","","","","1.114","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015227","13.998","0.002","13.998","0.002","8.6852","0.0017","90","","90","","90","","1701.8","0.5","293","2","293","2","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","","- C0.2 H2.3 Ag1.25 N0.1 O0.75 Rb0.65 Se3 Sn -","- Ag1.25 O0.75 Rb0.65 Se3 Sn -","- Ag10 O6 Rb5.2 Se24 Sn8 -","8","1","","Li, Jian-Rong; Huang, Xiao-Ying","[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4387","4390","10.1039/c0dt01381a","","","0.71073","MoKα","","0.076","0.0639","","","0.1399","0.1471","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015228","13.8051","0.0008","13.8051","0.0008","9.6707","0.0009","90","","90","","90","","1843","0.2","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C1.5 H6 Ag1.25 N0.75 Se3 Sn -","- C1.5 H6.25 Ag1.25 N0.75 Se3 Sn -","- C12 H50 Ag10 N6 Se24 Sn8 -","8","1","","Li, Jian-Rong; Huang, Xiao-Ying","[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4387","4390","10.1039/c0dt01381a","","","0.71073","MoKα","","0.0412","0.0366","","","0.0799","0.082","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015229","13.9886","0.0008","13.9886","0.0008","8.8534","0.0013","90","","90","","90","","1732.4","0.3","293","2","293","2","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","","- C0.1 H0.9 Ag1.25 Cs0.7 N0.05 O0.25 Se3 Sn -","- Ag1.25 Cs0.7 O0.25 Se3 Sn -","- Ag10 Cs5.6 O2 Se24 Sn8 -","8","1","","Li, Jian-Rong; Huang, Xiao-Ying","[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4387","4390","10.1039/c0dt01381a","","","0.71073","MoKα","","0.0582","0.052","","","0.1423","0.1485","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015230","13.9087","0.0006","13.9087","0.0006","8.8618","0.0007","90","","90","","90","","1714.33","0.17","293","2","293","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C0.5 H5 Ag1.25 N0.75 O0.5 Se3 Sn -","- C0.5 Ag1.25 N0.75 O0.5 Se3 Sn -","- C4 Ag10 N6 O4 Se24 Sn8 -","8","1","","Li, Jian-Rong; Huang, Xiao-Ying","[(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4387","4390","10.1039/c0dt01381a","","","0.71073","MoKα","","0.0494","0.0465","","","0.091","0.0927","","","","","","1.152","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015231","10.1225","0.0006","10.4047","0.0007","10.5936","0.0007","114.921","0.005","92.754","0.005","107.18","0.005","947.35","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H25 N2 O2 P S2 -","- C15 H25 N2 O2 P S2 -","- C30 H50 N4 O4 P2 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin","Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3142","3153","10.1039/c0dt01382j","","","0.71073","MoKα","","0.0295","0.0276","","","0.0708","0.072","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015232","10.3417","0.001","10.4409","0.001","10.6637","0.001","116.961","0.007","92.299","0.008","106.498","0.008","964.63","0.19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 N4 Ni O4 P2 S4 -","- C30 H48 N4 Ni O4 P2 S4 -","- C30 H48 N4 Ni O4 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin","Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3142","3153","10.1039/c0dt01382j","","","0.71073","MoKα","","0.0514","0.0375","","","0.0926","0.0966","","","","","","1.069","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015233","9.9075","0.0007","15.1449","0.0007","12.9257","0.0008","90","","111.187","0.005","90","","1808.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N2 O2 P S2 -","- C14 H23 N2 O2 P S2 -","- C56 H92 N8 O8 P4 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin","Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3142","3153","10.1039/c0dt01382j","","","0.71073","MoKα","","0.0434","0.0328","","","0.0845","0.0871","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015234","9.6196","0.0009","10.0482","0.0008","10.6353","0.001","82.561","0.007","88.528","0.007","75.021","0.007","984.68","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H27 N2 O2 P S2 -","- C16 H27 N2 O2 P S2 -","- C32 H54 N4 O4 P2 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin","Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3142","3153","10.1039/c0dt01382j","","","0.71073","MoKα","","0.0388","0.0335","","","0.0812","0.0847","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015235","7.4084","0.0007","9.751","0.0008","10.2595","0.0009","80.832","0.007","76.351","0.007","70.632","0.007","676.79","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H19 N2 O2 P S2 -","- C8 H19 N2 O2 P S2 -","- C16 H38 N4 O4 P2 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin","Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3142","3153","10.1039/c0dt01382j","","","0.71073","MoKα","","0.0311","0.0294","","","0.0764","0.0776","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015236","8.3222","0.0008","9.3599","0.001","12.9907","0.0013","103.075","0.008","105.168","0.008","106.81","0.008","883.61","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H44 N4 Ni O4 P2 S4 -","- C28 H44 N4 Ni O4 P2 S4 -","- C28 H44 N4 Ni O4 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin","Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3142","3153","10.1039/c0dt01382j","","","0.71073","MoKα","","0.0415","0.0377","","","0.0972","0.0992","","","","","","1.055","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015237","9.2223","0.0005","10.448","0.0006","11.6919","0.0007","97.788","0.005","102.023","0.005","111.808","0.004","994.49","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H52 N4 Ni O4 P2 S4 -","- C32 H52 N4 Ni O4 P2 S4 -","- C32 H52 N4 Ni O4 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin","Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3142","3153","10.1039/c0dt01382j","","","0.71073","MoKα","","0.0399","0.0356","","","0.0864","0.0888","","","","","","1.066","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015238","8.75","0.0017","8.81","0.0018","9.62","0.0019","93.6","0.03","90.68","0.03","111.4","0.03","688.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H36 N4 Ni O4 P2 S4 -","- C16 H36 N4 Ni O4 P2 S4 -","- C16 H36 N4 Ni O4 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Srebro, Monika; Mitoraj, Mariusz; Uthe, André; Klein, Axel; Köckerling, Martin","Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S'-coordination in Ni(II) complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3142","3153","10.1039/c0dt01382j","","","0.71073","MoKα","","0.0367","0.0294","","","0.0693","0.0722","","","","","","1.043","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015239","16.933","0.0009","10.811","0.0006","18.692","0.0011","90","","93.748","0.003","90","","3414.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26.5 B F4 N4 O6.25 Re -","- C37 H26 B F4 N4 O6.25 Re -","- C148 H104 B4 F16 N16 O25 Re4 -","4","1","","Jones, Jennifer E.; Kariuki, Benson M.; Ward, Benjamin D.; Pope, Simon J. A.","Amino-anthraquinone chromophores functionalised with 3-picolyl units: structures, luminescence, DFT and their coordination chemistry with cationic Re(I) di-imine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3498","3509","10.1039/c0dt01383h","","","0.71073","MoKα","","0.1018","0.0741","","","0.1405","0.1498","","","","","","1.201","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015240","11.3845","0.0005","13.6381","0.0005","13.7772","0.0004","94.236","0.002","92.655","0.002","110.176","0.002","1996.45","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N4 O2 -","- C26 H20 N4 O2 -","- C104 H80 N16 O8 -","4","2","","Jones, Jennifer E.; Kariuki, Benson M.; Ward, Benjamin D.; Pope, Simon J. A.","Amino-anthraquinone chromophores functionalised with 3-picolyl units: structures, luminescence, DFT and their coordination chemistry with cationic Re(I) di-imine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3498","3509","10.1039/c0dt01383h","","","0.71073","MoKα","","0.1753","0.0942","","","0.2082","0.2545","","","","","","1.016","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015241","7.253","0.0009","7.8323","0.0008","13.1613","0.001","102.775","0.005","90.442","0.006","91.931","0.004","728.65","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","Jones, Jennifer E.; Kariuki, Benson M.; Ward, Benjamin D.; Pope, Simon J. A.","Amino-anthraquinone chromophores functionalised with 3-picolyl units: structures, luminescence, DFT and their coordination chemistry with cationic Re(I) di-imine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3498","3509","10.1039/c0dt01383h","","","0.71073","MoKα","","0.0928","0.0677","","","0.1669","0.1811","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015242","5.0343","0.0007","10.0324","0.0009","19.408","0.002","90","","89.978","0.005","90","","980.22","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N4 O2 -","- C26 H20 N4 O2 -","- C52 H40 N8 O4 -","2","0.5","","Jones, Jennifer E.; Kariuki, Benson M.; Ward, Benjamin D.; Pope, Simon J. A.","Amino-anthraquinone chromophores functionalised with 3-picolyl units: structures, luminescence, DFT and their coordination chemistry with cationic Re(I) di-imine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3498","3509","10.1039/c0dt01383h","","","0.71073","MoKα","","0.1414","0.0738","","","0.1407","0.1708","","","","","","1.063","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015243","18.7795","0.0005","14.5947","0.0002","27.0597","0.0008","90","","90","","90","","7416.6","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H30 B F4 N4 O7 Re -","- C37 H26 B F4 N4 O7 Re -","- C296 H208 B8 F32 N32 O56 Re8 -","8","1","","Jones, Jennifer E.; Kariuki, Benson M.; Ward, Benjamin D.; Pope, Simon J. A.","Amino-anthraquinone chromophores functionalised with 3-picolyl units: structures, luminescence, DFT and their coordination chemistry with cationic Re(I) di-imine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3498","3509","10.1039/c0dt01383h","","","0.71073","MoKα","","0.1229","0.0597","","","0.1284","0.1523","","","","","","1.026","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015244","10.842","0.003","14.871","0.004","16.541","0.005","90","","90","","90","","2666.9","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl2 O3 Si2 Ti2 -","- C22 H36 Cl2 O3 Si2 Ti2 -","- C88 H144 Cl8 O12 Si8 Ti8 -","4","1","","Ventura, María; Ramírez de Arellano, Carmen; Mosquera, Marta E. G.; Jiménez, Gerardo; Cuenca, Tomás","Synthesis and structural characterization of novel tetranuclear organotitanoxane derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5728","5733","10.1039/c0dt01393e","","","0.71073","MoKα","","0.0399","0.0393","","","0.0888","0.0892","","","","","","1.244","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7015245","12.606","0.002","12.609","0.003","17.202","0.004","84.349","0.018","82.941","0.016","84.089","0.017","2688.9","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H72 O8 Si4 Ti4 -","- C44 H72 O8 Si4 Ti4 -","- C88 H144 O16 Si8 Ti8 -","2","1","","Ventura, María; Ramírez de Arellano, Carmen; Mosquera, Marta E. G.; Jiménez, Gerardo; Cuenca, Tomás","Synthesis and structural characterization of novel tetranuclear organotitanoxane derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5728","5733","10.1039/c0dt01393e","","","0.71073","MoKα","","0.1263","0.0709","","","0.1846","0.214","","","","","","1.008","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015246","9.426","0.003","11.423","0.004","12.534","0.005","63.15","0.02","87.27","0.03","81.51","0.03","1190.6","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H40.5 Br N4 O2.5 -","- C21.5 H40.5 Br N4 O2.5 -","- C43 H81 Br2 N8 O5 -","2","1","","Silversides, Jon D.; Smith, Rachel; Archibald, Stephen J.","Challenges in chelating positron emitting copper isotopes: tailored synthesis of unsymmetric chelators to form ultra stable complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6289","6297","10.1039/c0dt01395a","","","0.71073","MoKα","","0.2412","0.1073","","","0.2958","0.3685","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015247","16.4087","0.0006","10.9231","0.0007","13.3642","0.0008","90","","90","","90","","2395.3","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H36 I2 N4 O2 -","- C20 H36 I2 N4 O2 -","- C80 H144 I8 N16 O8 -","4","1","","Silversides, Jon D.; Smith, Rachel; Archibald, Stephen J.","Challenges in chelating positron emitting copper isotopes: tailored synthesis of unsymmetric chelators to form ultra stable complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6289","6297","10.1039/c0dt01395a","","","0.71073","MoKα","","0.063","0.0496","","","0.1273","0.1373","","","","","","1.061","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015248","17.4472","0.0018","11.3606","0.0012","15.194","0.002","90","","101.43","0.01","90","","2951.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H38 Cl2 N4 O8.5 -","- C20.5 H36 Cl2 N4 O8.5 -","- C82 H144 Cl8 N16 O34 -","4","1","","Silversides, Jon D.; Smith, Rachel; Archibald, Stephen J.","Challenges in chelating positron emitting copper isotopes: tailored synthesis of unsymmetric chelators to form ultra stable complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6289","6297","10.1039/c0dt01395a","","","0.71073","MoKα","","0.2549","0.1161","","","0.3265","0.3692","","","","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015249","15.571","0.002","9.7171","0.0009","16.678","0.002","90","","90","","90","","2523.5","0.5","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H36 Cl2 Cu N4 O9 -","- C20 H36 Cl2 Cu N4 O9 -","- C80 H144 Cl8 Cu4 N16 O36 -","4","1","","Silversides, Jon D.; Smith, Rachel; Archibald, Stephen J.","Challenges in chelating positron emitting copper isotopes: tailored synthesis of unsymmetric chelators to form ultra stable complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6289","6297","10.1039/c0dt01395a","","","0.71073","MoKα","","0.1941","0.0453","","","0.0873","0.1152","","","","","","0.716","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015250","8.7619","0.0002","20.2966","0.0005","39.1115","0.0008","90","","95.429","0.001","90","","6924.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 F3 N4 O8 Re -","- C18 H26 F3 N4 O8 Re -","- C216 H312 F36 N48 O96 Re12 -","12","3","","Palma, Elisa; Correia, João D G; Oliveira, Bruno L.; Gano, Lurdes; Santos, Isabel C.; Santos, Isabel","99mTc(CO)3-labeled pamidronate and alendronate for bone imaging.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2787","2796","10.1039/c0dt01396j","","","0.71073","MoKα","","0.0665","0.0389","","","0.068","0.0738","","","","","","0.969","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015251","22.7921","0.0008","14.6642","0.0004","21.007","0.0008","90","","114.483","0.003","90","","6389.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H54 F24 N20 P4 Ru -","- C52 H54 F24 N20 P4 Ru -","- C208 H216 F96 N80 P16 Ru4 -","4","0.5","","Roggan, Stefan; Limberg, Christian; Knispel, Christina; Tilley, T. Don","Transition metal complexes of the novel hexadentate ligand 1,4-bis(di(N-methylimidazol-2-yl)methyl)phthalazine.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4315","4323","10.1039/c0dt01406k","","","0.71073","MoKα","","0.0695","0.0418","","","0.0734","0.0792","","","","","","0.974","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015252","32.2485","0.0007","11.1423","0.0002","27.0595","0.0006","90","","101.431","0.002","90","","9530.2","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl2 Co2 F12 N10 O2 P2 -","- C28 H34 Cl2 Co2 F12 N10 O2 P2 -","- C224 H272 Cl16 Co16 F96 N80 O16 P16 -","8","1","","Roggan, Stefan; Limberg, Christian; Knispel, Christina; Tilley, T. Don","Transition metal complexes of the novel hexadentate ligand 1,4-bis(di(N-methylimidazol-2-yl)methyl)phthalazine.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4315","4323","10.1039/c0dt01406k","","","0.71073","MoKα","","0.0611","0.0452","","","0.1121","0.1157","","","","","","0.886","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015253","33.4681","0.0012","13.7678","0.0005","11.1687","0.0007","90","","90","","90","","5146.3","0.4","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C38 H52 Cl2 F12 N12 O3 P2 Ru2 S2 -","- C35.708 H48.316 Cl2 F12 N11.1 O2.877 P2 Ru2 S2 -","- C142.832 H193.264 Cl8 F48 N44.4 O11.508 P8 Ru8 S8 -","4","1","","Roggan, Stefan; Limberg, Christian; Knispel, Christina; Tilley, T. Don","Transition metal complexes of the novel hexadentate ligand 1,4-bis(di(N-methylimidazol-2-yl)methyl)phthalazine.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4315","4323","10.1039/c0dt01406k","","","0.71073","MoKα","","0.0867","0.0754","","","0.1682","0.1761","","","","","","1.153","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015254","13.1972","0.0006","16.7605","0.0007","15.8055","0.0008","90","","104","0.004","90","","3392.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Cl4 Mn2 N10 O2 -","- C27 H30 Cl4 Mn2 N10 O -","- C108 H120 Cl16 Mn8 N40 O4 -","4","1","","Roggan, Stefan; Limberg, Christian; Knispel, Christina; Tilley, T. Don","Transition metal complexes of the novel hexadentate ligand 1,4-bis(di(N-methylimidazol-2-yl)methyl)phthalazine.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4315","4323","10.1039/c0dt01406k","","","0.71073","MoKα","","0.1409","0.0724","","","0.0968","0.1103","","","","","","0.963","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015255","8.951","0.0018","8.997","0.0018","9.664","0.0019","102","0.03","98.89","0.03","108.26","0.03","702.4","0.3","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 Cl2 N3 O Pt -","- C11 H13 Cl2 N3 O Pt -","- C22 H26 Cl4 N6 O2 Pt2 -","2","1","","Holland, Lars; Shen, Wei-Zheng; von Grebe, Philipp; Sanz Miguel, Pablo J.; Pichierri, Fabio; Springer, Andreas; Schalley, Christoph A.; Lippert, Bernhard","A neutral Pt(3) stack unsupported by any bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5159","5161","10.1039/c0dt01408g","","","0.71073","MoKα","","","0.0695","","","","0.1497","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015256","9.7035","0.0003","13.2662","0.0005","16.4753","0.0005","90","","99.019","0.003","90","","2094.62","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N6 Pt -","- C16 H12 N6 Pt -","- C96 H72 N36 Pt6 -","6","1.5","","Holland, Lars; Shen, Wei-Zheng; von Grebe, Philipp; Sanz Miguel, Pablo J.; Pichierri, Fabio; Springer, Andreas; Schalley, Christoph A.; Lippert, Bernhard","A neutral Pt(3) stack unsupported by any bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5159","5161","10.1039/c0dt01408g","","","0.71073","MoKα","","0.0463","0.0287","","","0.0446","0.046","","","","","","0.934","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015257","10.148","0.002","10.37","0.002","13.577","0.003","90","","97.78","0.03","90","","1415.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl12 N6 Pt -","- C18 H10 Cl12 N6 Pt -","- C36 H20 Cl24 N12 Pt2 -","2","0.5","","Holland, Lars; Shen, Wei-Zheng; von Grebe, Philipp; Sanz Miguel, Pablo J.; Pichierri, Fabio; Springer, Andreas; Schalley, Christoph A.; Lippert, Bernhard","A neutral Pt(3) stack unsupported by any bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5159","5161","10.1039/c0dt01408g","","","0.71073","MoKα","","0.1808","0.0831","","","0.171","0.2126","","","","","","0.954","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015258","8.5811","0.0015","11.1302","0.0019","13.3986","0.0023","72.85","0.01","81.9","0.01","79.7","0.01","1197.8","0.4","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H20 Hg I2 N4 O3 S2 -","- C15 H20 Hg I2 N4 O3 S2 -","- C30 H40 Hg2 I4 N8 O6 S4 -","2","1","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito; Pintus, Anna","Oxidative properties of iodine-adducts of propylthiouracil and methimazole: direct synthesis of mercury(II) complexes from the reaction with liquid mercury.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4505","4513","10.1039/c0dt01409e","","","0.71073","MoKα","","0.1321","0.0556","","","0.1567","0.1836","","","","","","1.004","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015259","8.5338","0.0006","12.8631","0.0009","13.8786","0.001","67.41","0.01","88.16","0.01","75.56","0.01","1358.7","0.2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H20 Hg2 I4 N4 O2 S2 -","- C14 H20 Hg2 I4 N4 O2 S2 -","- C28 H40 Hg4 I8 N8 O4 S4 -","2","1","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito; Pintus, Anna","Oxidative properties of iodine-adducts of propylthiouracil and methimazole: direct synthesis of mercury(II) complexes from the reaction with liquid mercury.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4505","4513","10.1039/c0dt01409e","","","0.71073","MoKα","","0.0509","0.0345","","","0.0762","0.0809","","","","","","0.909","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015260","5.5676","0.0007","9.2909","0.0011","10.5376","0.0013","102.52","0.013","90.21","0.01","100.33","0.01","522.99","0.12","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Hg2 I4 N4 S2 -","- C8 H12 Hg2 I4 N4 S2 -","- C8 H12 Hg2 I4 N4 S2 -","1","0.5","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito; Pintus, Anna","Oxidative properties of iodine-adducts of propylthiouracil and methimazole: direct synthesis of mercury(II) complexes from the reaction with liquid mercury.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4505","4513","10.1039/c0dt01409e","","","0.71073","MoKα","","0.0526","0.0496","","","0.1518","0.1547","","","","","","1.085","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015261","8.2289","0.0001","9.3564","0.0001","26.2207","0.0003","90.2759","0.0009","94.182","0.0009","102.184","0.0007","1967.66","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 B N2 -","- C24 H23 B N2 -","- C96 H92 B4 N8 -","4","2","","Weber, Lothar; Eickhoff, Daniel; Werner, Vanessa; Böhling, Lena; Schwedler, Stefanie; Chrostowska, Anna; Dargelos, Alain; Maciejczyk, Małgorzata; Stammler, Hans-Georg; Neumann, Beate","Syntheses, crystal structures, photophysical and theoretical studies of 1,3,2-benzodiazaborolyl-functionalized diphenylacetylenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4434","4446","10.1039/c0dt01410a","","","0.71073","MoKα","","0.0554","0.0394","","","0.0937","0.1016","","","","","","1.046","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015262","9.8599","0.0003","11.9","0.0004","12.5138","0.0003","90","","103.875","0.0017","90","","1425.44","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 B2 N4 -","- C34 H36 B2 N4 -","- C68 H72 B4 N8 -","2","0.5","","Weber, Lothar; Eickhoff, Daniel; Werner, Vanessa; Böhling, Lena; Schwedler, Stefanie; Chrostowska, Anna; Dargelos, Alain; Maciejczyk, Małgorzata; Stammler, Hans-Georg; Neumann, Beate","Syntheses, crystal structures, photophysical and theoretical studies of 1,3,2-benzodiazaborolyl-functionalized diphenylacetylenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4434","4446","10.1039/c0dt01410a","","","0.71073","MoKα","","0.0541","0.0428","","","0.1035","0.1116","","","","","","1.046","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015263","7.6596","0.0002","8.2312","0.0001","18.3644","0.0003","100.449","0.0011","90.0371","0.0011","108.983","0.001","1074.49","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 B N3 O -","- C26 H24 B N3 O -","- C52 H48 B2 N6 O2 -","2","1","","Weber, Lothar; Eickhoff, Daniel; Werner, Vanessa; Böhling, Lena; Schwedler, Stefanie; Chrostowska, Anna; Dargelos, Alain; Maciejczyk, Małgorzata; Stammler, Hans-Georg; Neumann, Beate","Syntheses, crystal structures, photophysical and theoretical studies of 1,3,2-benzodiazaborolyl-functionalized diphenylacetylenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4434","4446","10.1039/c0dt01410a","","","0.71073","MoKα","","0.0444","0.0379","","","0.0976","0.1018","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015264","8.1333","0.0003","8.8483","0.0002","15.7389","0.0005","92.105","0.002","94.8037","0.0016","91.021","0.002","1127.68","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 B N4 -","- C27 H27 B N4 -","- C54 H54 B2 N8 -","2","1","","Weber, Lothar; Eickhoff, Daniel; Werner, Vanessa; Böhling, Lena; Schwedler, Stefanie; Chrostowska, Anna; Dargelos, Alain; Maciejczyk, Małgorzata; Stammler, Hans-Georg; Neumann, Beate","Syntheses, crystal structures, photophysical and theoretical studies of 1,3,2-benzodiazaborolyl-functionalized diphenylacetylenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4434","4446","10.1039/c0dt01410a","","","0.71073","MoKα","","0.0534","0.043","","","0.1082","0.1156","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015265","10.1351","0.0002","10.7913","0.0002","10.8348","0.0002","82.5832","0.0013","73.1052","0.0012","80.0178","0.0012","1112.8","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 B N3 S -","- C26 H24 B N3 S -","- C52 H48 B2 N6 S2 -","2","1","","Weber, Lothar; Eickhoff, Daniel; Werner, Vanessa; Böhling, Lena; Schwedler, Stefanie; Chrostowska, Anna; Dargelos, Alain; Maciejczyk, Małgorzata; Stammler, Hans-Georg; Neumann, Beate","Syntheses, crystal structures, photophysical and theoretical studies of 1,3,2-benzodiazaborolyl-functionalized diphenylacetylenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4434","4446","10.1039/c0dt01410a","","","0.71073","MoKα","","0.0322","0.0301","","","0.0772","0.0785","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015266","11.0153","0.0005","22.6939","0.0009","11.5963","0.0005","90","","95.787","0.001","90","","2884.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O5 S Zn -","- C30 H38 N2 O5 S Zn -","- C120 H152 N8 O20 S4 Zn4 -","4","2","","Haak, Robert M.; Castilla, Ana M.; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Access to multinuclear salen complexes using olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3352","3364","10.1039/c0dt01411g","","","0.71073","MoKα","","0.0517","0.0455","","","0.1172","0.1216","","","","","","1.091","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015267","8.32","0.0004","13.9529","0.0008","14.0274","0.0008","112.341","0.001","100.392","0.002","94.466","0.002","1462.16","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H42 N2 Ni O7 -","- C30 H42 N2 Ni O7 -","- C60 H84 N4 Ni2 O14 -","2","2","","Haak, Robert M.; Castilla, Ana M.; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Access to multinuclear salen complexes using olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3352","3364","10.1039/c0dt01411g","","","0.71073","MoKα","","0.0416","0.0358","","","0.1018","0.1063","","","","","","1.065","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015268","6.7355","0.0013","11.269","0.002","18.178","0.004","90","","90","","90","","1379.8","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C14 H11 Br N2 O2 Pd -","- C14 H11 Br N2 O2 Pd -","- C56 H44 Br4 N8 O8 Pd4 -","4","0.5","","Luo, Qun-Li; Tan, Jian-Ping; Li, Zhi-Fu; Qin, Yue; Ma, Lin; Xiao, Dong-Rong","Novel bis(azole) pincer palladium complexes: synthesis, structures and applications in Mizoroki-Heck reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3601","3609","10.1039/c0dt01414a","","","0.71073","MoKα","","0.0202","0.0188","","","0.0392","0.0395","","","","","","0.831","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015269","10.61","0.002","11.703","0.002","12.051","0.002","90","","106.59","0.03","90","","1434.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Br N2 O Pd S -","- C14 H11 Br N2 O Pd S -","- C56 H44 Br4 N8 O4 Pd4 S4 -","4","1","","Luo, Qun-Li; Tan, Jian-Ping; Li, Zhi-Fu; Qin, Yue; Ma, Lin; Xiao, Dong-Rong","Novel bis(azole) pincer palladium complexes: synthesis, structures and applications in Mizoroki-Heck reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3601","3609","10.1039/c0dt01414a","","","0.71073","MoKα","","0.0654","0.0421","","","0.1185","0.1285","","","","","","1.012","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015270","14.166","0.005","13.435","0.005","13.405","0.005","90","","102.357","0.005","90","","2492.1","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 Cu N8 O14 -","- C12 H20 Cl2 Cu N8 O14 -","- C48 H80 Cl8 Cu4 N32 O56 -","4","1","","Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Lezama, Luis; Barea, Elisa; Salas, Juan M.","Structural and magnetic properties of three novel complexes with the versatile ligand 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5180","5187","10.1039/c0dt01416h","","","0.71069","MoKα","","0.0624","0.0561","","","0.1739","0.1805","","","","","","1.136","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015271","11.752","0.002","11.663","0.002","12.921","0.002","90","","101.396","0.002","90","","1736.1","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl2 Cu N16 O14 -","- C24 H28 Cl2 Cu N16 O14 -","- C48 H56 Cl4 Cu2 N32 O28 -","2","0.5","","Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Lezama, Luis; Barea, Elisa; Salas, Juan M.","Structural and magnetic properties of three novel complexes with the versatile ligand 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5180","5187","10.1039/c0dt01416h","","","0.71073","MoKα","","0.0517","0.0443","","","0.1246","0.1304","","","","","","1.085","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015272","12.923","0.005","6.542","0.005","10.446","0.005","90","","90","","90","","883.1","0.9","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C6 H15 Cl2 Co N4 O14 -","- C6 H15 Cl2 Co N4 O14 -","- C12 H30 Cl4 Co2 N8 O28 -","2","0.5","","Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Lezama, Luis; Barea, Elisa; Salas, Juan M.","Structural and magnetic properties of three novel complexes with the versatile ligand 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5180","5187","10.1039/c0dt01416h","","","0.71069","MoKα","","0.0588","0.0536","","","0.1456","0.1504","","","","","","1.074","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015273","13.8187","0.0008","19.7414","0.0012","13.2414","0.0007","90","","109.469","0.001","90","","3405.7","0.3","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C64 H62 Ag3 Cl3 N14 O13 -","- C64 H60 Ag3 Cl3 N14 O13 -","- C128 H120 Ag6 Cl6 N28 O26 -","2","1","","Chakraborty, Biswarup; Halder, Partha; Paine, Tapan Kanti","Conformational supramolecular isomerism in one-dimensional silver(I) coordination polymer of a flexible bis(bidentate) N,N-donor ligand with p-xylyl spacer.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3647","3654","10.1039/c0dt01429j","","","0.71073","MoKα","","0.0617","0.0435","","","0.0987","0.1081","","","","","","1.027","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015274","18.3455","0.0011","11.7661","0.0007","19.1766","0.0013","90","","99.027","0.001","90","","4088.1","0.4","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H36 Ag2 Cl2 N8 O8 -","- C40 H36 Ag2 Cl2 N8 O8 -","- C160 H144 Ag8 Cl8 N32 O32 -","4","1","","Chakraborty, Biswarup; Halder, Partha; Paine, Tapan Kanti","Conformational supramolecular isomerism in one-dimensional silver(I) coordination polymer of a flexible bis(bidentate) N,N-donor ligand with p-xylyl spacer.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3647","3654","10.1039/c0dt01429j","","","0.71073","MoKα","","0.04","0.034","","","0.074","0.0778","","","","","","1.015","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015275","17.7975","0.001","13.042","0.0007","12.8957","0.0013","90","","126.425","0.001","90","","2408.5","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Ag Cl N4 O4 -","- C20 H18 Ag Cl N4 O4 -","- C80 H72 Ag4 Cl4 N16 O16 -","4","0.5","","Chakraborty, Biswarup; Halder, Partha; Paine, Tapan Kanti","Conformational supramolecular isomerism in one-dimensional silver(I) coordination polymer of a flexible bis(bidentate) N,N-donor ligand with p-xylyl spacer.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3647","3654","10.1039/c0dt01429j","","","0.71073","MoKα","","0.0652","0.0636","","","0.1897","0.1907","","","","","","1.243","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015276","9.2847","0.0002","10.1003","0.0002","15.4314","0.0004","93.503","0.001","103.467","0.001","100.702","0.001","1374.59","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H39 Fe N3 Zr -","- C31 H39 Fe N3 Zr -","- C62 H78 Fe2 N6 Zr2 -","2","1","","Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3724","3736","10.1039/c0dt01430c","","","0.71073","MoKα","","0.0487","0.0436","","","0.1018","0.1075","","","","","","1.05","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015277","15.558","0.0003","13.6033","0.0002","23.1772","0.0004","90","","106.068","0.001","90","","4713.6","0.14","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl2 Fe N Zr -","- C27 H27 Cl2 Fe N Zr -","- C216 H216 Cl16 Fe8 N8 Zr8 -","8","2","","Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3724","3736","10.1039/c0dt01430c","","","0.71073","MoKα","","0.0649","0.0509","","","0.1133","0.1246","","","","","","1.043","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015278","10.501","0.001","13.098","0.001","18.067","0.001","90","","113.07","0.01","90","","2286.2","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Fe N O -","- C29 H29 Fe N O -","- C116 H116 Fe4 N4 O4 -","4","1","","Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3724","3736","10.1039/c0dt01430c","","","0.71073","MoKα","","0.1082","0.0617","","","0.1429","0.163","","","","","","1.049","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015279","9.4004","0.0002","15.8211","0.0004","29.6255","0.0007","90","","90","","90","","4406.04","0.18","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H29 Fe N -","- C29 H29 Fe N -","- C232 H232 Fe8 N8 -","8","1","","Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3724","3736","10.1039/c0dt01430c","","","0.71073","MoKα","","0.1017","0.0482","","","0.1183","0.1397","","","","","","1.04","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015280","11.178","0.0002","15.2159","0.0002","15.4479","0.0003","76.208","0.001","83.575","0.001","78.305","0.001","2493.11","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cl2 Fe Zr -","- C32 H26 Cl2 Fe Zr -","- C128 H104 Cl8 Fe4 Zr4 -","4","2","","Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3724","3736","10.1039/c0dt01430c","","","0.71073","MoKα","","0.0465","0.0417","","","0.098","0.1028","","","","","","1.052","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015281","9.4638","0.0003","12.4287","0.0004","17.306","0.0007","90","","97.385","0.001","90","","2018.69","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl Fe N2 -","- C23 H27 Cl Fe N2 -","- C92 H108 Cl4 Fe4 N8 -","4","1","","Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3724","3736","10.1039/c0dt01430c","","","0.71073","MoKα","","0.1005","0.0496","","","0.1058","0.1227","","","","","","1.014","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015282","11.4469","0.0003","13.7506","0.0004","11.5357","0.0003","90","","107.176","0.001","90","","1734.76","0.08","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl Fe N -","- C21 H20 Cl Fe N -","- C84 H80 Cl4 Fe4 N4 -","4","1","","Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3724","3736","10.1039/c0dt01430c","","","0.71073","MoKα","","0.0638","0.0537","","","0.1109","0.1195","","","","","","1.017","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015283","26.8528","0.0002","12.6309","0.0001","19.1447","0.0003","90","","116.986","0.001","90","","5786.39","0.12","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H30 Cl3 Fe N Zr -","- C31.5 H30 Cl3 Fe N Zr -","- C252 H240 Cl24 Fe8 N8 Zr8 -","8","1","","Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3724","3736","10.1039/c0dt01430c","","","0.71073","MoKα","","0.0448","0.0357","","","0.0926","0.0982","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015284","9.163","0.002","14.894","0.005","16.304","0.005","73.65","0.03","92.59","0.03","90.67","0.03","2132.9","1.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C46 N28 Ni3 W2 -","- C46 N28 Ni3 W2 -","- C46 N28 Ni3 W2 -","1","0.5","","Nowicka, Beata; Bałanda, Maria; Gaweł, Bartłomiej; Ćwiak, Grzegorz; Budziak, Andrzej; Łasocha, Wiesław; Sieklucka, Barbara","Microporous {[Ni(cyclam)]3[W(CN)8]2}n affording reversible structural and magnetic conversions.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3067","3073","10.1039/c0dt01434f","powder diffraction","","1.54178","CuKα","","","0.28","","","0.2778","","0.23","","2.48","","","","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015285","10.1533","0.0004","21.6753","0.001","13.6766","0.0005","90","","102.894","0.0025","90","","2934","0.2","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H78 Cl6 N4 O2 W2 -","- C55 H78 Cl6 N4 O2 W2 -","- C110 H156 Cl12 N8 O4 W4 -","2","0.5","","Hänninen, Mikko M; Sillanpää, Reijo; Kivelä, Henri; Lehtonen, Ari","Imidotungsten(VI) complexes with chelating amino and imino phenolates.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2868","2874","10.1039/c0dt01438a","","x-ray","0.71073","MoKα","","0.072","0.0546","","","0.1162","0.1225","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015286","13.78","0.005","14.203","0.005","14.757","0.005","90","0.005","105.262","0.005","90","0.005","2786.3","1.7","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl3 N2 O W -","- C27 H31 Cl3 N2 O W -","- C108 H124 Cl12 N8 O4 W4 -","4","1","","Hänninen, Mikko M; Sillanpää, Reijo; Kivelä, Henri; Lehtonen, Ari","Imidotungsten(VI) complexes with chelating amino and imino phenolates.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2868","2874","10.1039/c0dt01438a","","x-ray","0.71073","MoKα","","0.0271","0.0228","","","0.0494","0.0507","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015287","11.102","0.002","14.161","0.003","15.769","0.001","93.65","0.01","94.013","0.009","105.789","0.009","2370.9","0.7","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C28 H75 N O2 Si6 Ta2 -","- C28 H75 N O2 Si6 Ta2 -","- C56 H150 N2 O4 Si12 Ta4 -","2","1","","Galajov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar","Trialkyl imido niobium and tantalum compounds: synthesis, structural study and migratory insertion reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2797","2804","10.1039/c0dt01449d","","x-ray","0.71069","MoKα","","0.1259","0.0637","","","0.1368","0.171","","","","","","0.888","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015288","8.9315","0.0005","27.8009","0.0007","7.7791","0.0004","90","","122.47","0.008","90","","1629.62","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H16 N2 Pt S2 -","- C18 H16 N2 Pt S2 -","- C72 H64 N8 Pt4 S8 -","4","1","","Forniés, Juan; Sicilia, Violeta; Casas, José M; Martín, Antonio; López, José A; Larraz, Carmen; Borja, Pilar; Ovejero, Carmen","Pt-Ag clusters and their neutral mononuclear Pt(II) starting complexes: structural and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2898","2912","10.1039/c0dt01451f","","","0.71073","MoKα","","0.0207","0.0199","","","0.0516","0.0519","","","","","","1.073","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015289","6.99202","0.00017","9.599","0.0002","22.4903","0.0006","90","","96.384","0.002","90","","1500.11","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 Pt S2 -","- C16 H14 N2 Pt S2 -","- C64 H56 N8 Pt4 S8 -","4","1","","Forniés, Juan; Sicilia, Violeta; Casas, José M; Martín, Antonio; López, José A; Larraz, Carmen; Borja, Pilar; Ovejero, Carmen","Pt-Ag clusters and their neutral mononuclear Pt(II) starting complexes: structural and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2898","2912","10.1039/c0dt01451f","","","0.71073","MoKα","","0.0302","0.0233","","","0.0556","0.0571","","","","","","1.029","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015290","15.0861","0.0004","20.0925","0.0006","8.0443","0.0002","90","","95.918","0.002","90","","2425.37","0.11","101","2","101","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C42 H44 Ag2 Cl2 N4 O10 Pt2 S4 -","- C42 H44 Ag2 Cl2 N4 O10 Pt2 S4 -","- C84 H88 Ag4 Cl4 N8 O20 Pt4 S8 -","2","0.25","","Forniés, Juan; Sicilia, Violeta; Casas, José M; Martín, Antonio; López, José A; Larraz, Carmen; Borja, Pilar; Ovejero, Carmen","Pt-Ag clusters and their neutral mononuclear Pt(II) starting complexes: structural and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2898","2912","10.1039/c0dt01451f","","","0.71073","MoKα","","0.0641","0.0475","","","0.0897","0.0947","","","","","","1.078","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015291","11.72036","0.00014","12.36498","0.00016","15.33482","0.00019","85.5909","0.001","68.4364","0.0011","77.4975","0.001","2017.79","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H34 Ag2 Cl2 N4 O9 Pt2 S4 -","- C35 H34 Ag2 Cl2 N4 O9 Pt2 S4 -","- C70 H68 Ag4 Cl4 N8 O18 Pt4 S8 -","2","1","","Forniés, Juan; Sicilia, Violeta; Casas, José M; Martín, Antonio; López, José A; Larraz, Carmen; Borja, Pilar; Ovejero, Carmen","Pt-Ag clusters and their neutral mononuclear Pt(II) starting complexes: structural and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2898","2912","10.1039/c0dt01451f","","","0.71073","MoKα","","0.0426","0.0359","","","0.0803","0.0822","","","","","","1.016","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015292","10.9857","0.0002","12.366","0.0002","14.5156","0.0004","90","","96.398","0.002","90","","1959.65","0.07","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H35 Ag Cl N5 O4 Pt2 S4 -","- C38 H35 Ag Cl N5 O4 Pt2 S4 -","- C76 H70 Ag2 Cl2 N10 O8 Pt4 S8 -","2","1","","Forniés, Juan; Sicilia, Violeta; Casas, José M; Martín, Antonio; López, José A; Larraz, Carmen; Borja, Pilar; Ovejero, Carmen","Pt-Ag clusters and their neutral mononuclear Pt(II) starting complexes: structural and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2898","2912","10.1039/c0dt01451f","","","0.71073","MoKα","","0.0516","0.04","","","0.079","0.0816","","","","","","1.021","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015293","8.0218","0.0004","8.8006","0.0003","10.328","0.0005","93.178","0.002","103.423","0.003","111.763","0.002","650.53","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N4 O8 Zn2 -","- C24 H28 N4 O8 Zn2 -","- C24 H28 N4 O8 Zn2 -","1","0.5","","Kopylovich, Maximilian N.; Mac Leod, Tatiana C. O.; Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Zinc(ii) ortho-hydroxyphenylhydrazo-β-diketonate complexes and their catalytic ability towards diastereoselective nitroaldol (Henry) reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5352","5361","10.1039/c0dt01457e","","","0.71073","MoKα","","0.0468","0.0337","","","0.0734","0.0793","","","","","","0.969","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015294","8.782","0.006","10.621","0.009","10.703","0.009","115.83","0.02","106.16","0.02","90.23","0.03","854","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 N3 O7 S Zn -","- C13 H17 N3 O7 S Zn -","- C26 H34 N6 O14 S2 Zn2 -","2","1","","Kopylovich, Maximilian N.; Mac Leod, Tatiana C. O.; Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Zinc(ii) ortho-hydroxyphenylhydrazo-β-diketonate complexes and their catalytic ability towards diastereoselective nitroaldol (Henry) reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5352","5361","10.1039/c0dt01457e","","","0.71069","MoKα","","0.1659","0.0603","","","0.0797","0.0979","","","","","","0.839","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015295","6.8688","0.0003","9.8233","0.0005","11.9184","0.0006","106.825","0.002","105.369","0.003","95.625","0.002","728.81","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O8 Zn2 -","- C28 H32 N4 O8 Zn2 -","- C28 H32 N4 O8 Zn2 -","1","0.5","","Kopylovich, Maximilian N.; Mac Leod, Tatiana C. O.; Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Zinc(ii) ortho-hydroxyphenylhydrazo-β-diketonate complexes and their catalytic ability towards diastereoselective nitroaldol (Henry) reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5352","5361","10.1039/c0dt01457e","","","0.71069","MoKα","","0.0482","0.0359","","","0.0819","0.087","","","","","","1.046","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015296","6.5844","0.0011","15.743","0.003","16.287","0.003","90","","96.006","0.01","90","","1679","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O8 Zn -","- C14 H19 N3 O8 Zn -","- C56 H76 N12 O32 Zn4 -","4","1","","Kopylovich, Maximilian N.; Mac Leod, Tatiana C. O.; Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Zinc(ii) ortho-hydroxyphenylhydrazo-β-diketonate complexes and their catalytic ability towards diastereoselective nitroaldol (Henry) reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5352","5361","10.1039/c0dt01457e","","","0.71073","MoKα","","0.2334","0.1032","","","0.2737","0.3351","","","","","","1.089","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015297","7.143","0.002","8.335","0.002","18.901","0.005","77.781","0.004","79.755","0.005","65.266","0.004","993.8","0.5","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cu N4 O7 -","- C21 H18 Cu N4 O7 -","- C42 H36 Cu2 N8 O14 -","2","1","","Boros, Eszter; Lin, Yi-Heng Scott; Ferreira, Cara L.; Patrick, Brian O.; Häfeli, Urs O; Adam, Michael J.; Orvig, Chris","One to chelate them all: investigation of a versatile, bifunctional chelator for (64)Cu, (99m)Tc, Re and Co.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6253","6259","10.1039/c0dt01458c","","","0.71073","MoKα","","0.1297","0.0949","","","0.2387","0.2535","","","","","","1.162","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015298","12.3723","0.001","17.5236","0.0014","14.8402","0.0012","90","","112.128","0.002","90","","2980.5","0.4","90","0.1","90","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H22 Br1.5 N4 O10.5 Re1.5 -","- C27.5 H22 Br1.5 N4 O10.5 Re1.5 -","- C110 H88 Br6 N16 O42 Re6 -","4","1","","Boros, Eszter; Lin, Yi-Heng Scott; Ferreira, Cara L.; Patrick, Brian O.; Häfeli, Urs O; Adam, Michael J.; Orvig, Chris","One to chelate them all: investigation of a versatile, bifunctional chelator for (64)Cu, (99m)Tc, Re and Co.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6253","6259","10.1039/c0dt01458c","","","0.71073","MoKα","","0.0354","0.0233","","","0.0436","0.0468","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015299","9.7691","0.0005","12.7467","0.0005","19.0201","0.0008","108.12","0.003","91.029","0.004","101.741","0.003","2195.48","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.44 H29 Cl3.5 Mn4 N4.5 Na O12.44 -","- C32.442 H29 Cl3.5 Mn4 N4.5 Na O12.442 -","- C64.884 H58 Cl7 Mn8 N9 Na2 O24.884 -","2","1","","Nayak, Sanjit; Nayek, Hari Pada; Dehnen, Stefanie; Powell, Annie K.; Reedijk, Jan","Trigonal propeller-shaped [Mn(III)3M(II)Na] complexes (M = Mn, Ca): structural and functional models for the dioxygen evolving centre of PSII.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2699","2702","10.1039/c0dt01463j","","","0.71073","MoKα","","0.083","0.0643","","","0.1843","0.1957","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015300","43.964","0.006","43.964","0.006","11.235","0.002","90","","90","","90","","21715","6","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C35 H44 Ca Cl Mn3 N12 Na O16 -","- C34.5 H41 Ca Cl Mn3 N12 Na O16 -","- C552 H656 Ca16 Cl16 Mn48 N192 Na16 O256 -","16","1","","Nayak, Sanjit; Nayek, Hari Pada; Dehnen, Stefanie; Powell, Annie K.; Reedijk, Jan","Trigonal propeller-shaped [Mn(III)3M(II)Na] complexes (M = Mn, Ca): structural and functional models for the dioxygen evolving centre of PSII.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2699","2702","10.1039/c0dt01463j","","","0.71073","MoKα","","0.1043","0.08","","","0.213","0.2306","","","","","","1.018","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015301","9.736","0.005","15.284","0.005","14.026","0.005","90","0.005","101.671","0.005","90","0.005","2044","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 As2 Cl6 O4 U -","- C38 H34 As2 Cl6 O4 U -","- C76 H68 As4 Cl12 O8 U2 -","2","0.5","","Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.","Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3914","3926","10.1039/c0dt01464h","","","0.71073","MoKα","","0.1076","0.0728","","","0.1779","0.2039","","","","","","1.007","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015302","12.469","0.005","16.035","0.005","26.736","0.005","89.73","0.005","78.123","0.005","85.965","0.005","5218","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Compound 4","","","- C56 H56 N2 O8 P4 U -","- C56 H56 N2 O8 P4 U -","- C224 H224 N8 O32 P16 U4 -","4","2","","Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.","Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3914","3926","10.1039/c0dt01464h","","","0.71069","MoKα","","0.0393","0.0316","","","0.0789","0.0828","","","","","","1.033","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015303","9.849","0.005","13.004","0.005","26.892","0.005","96.38","0.005","92.738","0.005","110.122","0.005","3200","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Compound 5","","","- C68 H78 N2 O7.5 P5 U -","- C68 H73 N2 O7.5 P5 U -","- C136 H146 N4 O15 P10 U2 -","2","1","","Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.","Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3914","3926","10.1039/c0dt01464h","","","0.71069","MoKα","","0.0557","0.0442","","","0.0866","0.0903","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015304","21.98","0.005","27.412","0.006","17.356","0.004","90","","101.42","0.005","90","","10250","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Compound 6","","","- C99 H86 Cl6 N4 O12 P8 U2 -","- C99 H86 Cl6 N4 O12 P8 U2 -","- C396 H344 Cl24 N16 O48 P32 U8 -","4","0.5","","Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.","Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3914","3926","10.1039/c0dt01464h","","","0.71073","MoKα","","0.1682","0.0764","","","0.1241","0.1511","","","","","","0.885","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015305","20.5618","0.0015","22.3","0.0016","29.998","0.002","90","","92.282","0.001","90","","13744","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C147 H127 N6 O18 P12 U3 -","- C147 H127 N6 O18 P12 U3 -","- C588 H508 N24 O72 P48 U12 -","4","1","","Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.","Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3914","3926","10.1039/c0dt01464h","","","0.71073","MoKα","","0.1019","0.0506","","","0.0716","0.0805","","","","","","1.109","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015306","15.888","0.002","17.307","0.003","28.582","0.004","90","","90","","90","","7859","2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Complex 4","","","- C11 H15 Fe2 I O5 S3 -","- C11 H15 Fe2 I O5 S3 -","- C176 H240 Fe32 I16 O80 S48 -","16","2","","Xiao, Zhiyin; Wei, Zhenhong; Long, Li; Wang, Yongli; Evans, David J.; Liu, Xiaoming","Diiron carbonyl complexes possessing a {Fe(II)Fe(II)} core: synthesis, characterisation, and electrochemical investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4291","4299","10.1039/c0dt01465f","","","0.71073","MoKα","","0.0751","0.0348","","","0.0803","0.0935","","","","","","1.002","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015307","8.921","0.004","15.049","0.007","18.133","0.007","90","","110.859","0.018","90","","2274.8","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex 6","","","- C14 H21 Fe2 I O5 S3 -","- C14 H21 Fe2 I O5 S3 -","- C56 H84 Fe8 I4 O20 S12 -","4","1","","Xiao, Zhiyin; Wei, Zhenhong; Long, Li; Wang, Yongli; Evans, David J.; Liu, Xiaoming","Diiron carbonyl complexes possessing a {Fe(II)Fe(II)} core: synthesis, characterisation, and electrochemical investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4291","4299","10.1039/c0dt01465f","","","0.71073","MoKα","","0.1829","0.1081","","","0.2712","0.3362","","","","","","0.957","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015308","10.7121","0.0013","18.024","0.002","29.397","0.003","90","","101.857","0.004","90","","5554.7","1.1","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 Cl3 Cu2 N10 O13 -","- C49 H51 Cl3 Cu2 N10 O13 -","- C196 H204 Cl12 Cu8 N40 O52 -","4","1","","Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5200","5209","10.1039/c0dt01472a","","","0.71073","MoKα","","0.1164","0.0665","","","0.2001","0.2224","","","","","","1.042","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015309","23.399","0.003","17.754","0.003","12.3468","0.0018","90","","90","","90","","5129.2","1.3","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H33 Cl3 Cu2 N10 O12 -","- C49 H33 Cl3 Cu2 N10 O12 -","- C196 H132 Cl12 Cu8 N40 O48 -","4","1","","Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5200","5209","10.1039/c0dt01472a","","","0.71073","MoKα","","0.1665","0.0734","","","0.0981","0.12","","","","","","0.869","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015310","8.2913","0.0018","8.9194","0.0019","9.332","0.002","94.661","0.004","99.624","0.004","101.893","0.004","661","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl2 Cu2 N8 O8 -","- C22 H18 Cl2 Cu2 N8 O8 -","- C22 H18 Cl2 Cu2 N8 O8 -","1","0.5","","Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5200","5209","10.1039/c0dt01472a","","","0.71073","MoKα","","0.0424","0.0378","","","0.0974","0.0993","","","","","","0.993","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015311","13.5171","0.0016","22.228","0.003","18.754","0.0017","90","","131.76","0.005","90","","4203.2","0.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H64 Cl4 Cu6 N16 O28 -","- C72 H64 Cl4 Cu6 N16 O28 -","- C144 H128 Cl8 Cu12 N32 O56 -","2","0.5","","Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5200","5209","10.1039/c0dt01472a","","","0.71073","MoKα","","0.0872","0.0555","","","0.1213","0.129","","","","","","1.091","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015312","13.1311","0.0016","11.9402","0.0015","16.985","0.002","90","","100.938","0.002","90","","2614.7","0.6","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H24 Cl Co N6 O9 -","- C24 H24 Cl Co N6 O9 -","- C96 H96 Cl4 Co4 N24 O36 -","4","1","","Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5200","5209","10.1039/c0dt01472a","","","0.71073","MoKα","","0.0606","0.057","","","0.1508","0.153","","","","","","1.133","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015313","13.682","0.003","20.077","0.004","26.28","0.005","94.76","0.03","93.9","0.03","94.29","0.03","7154","3","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C128.52 H147.02 F12 Fe2 N4 O14.99 P8 Pd2 Pt2 S4 -","- C128.52 H138.04 F12 Fe2 N4 O14.99 P8 Pd2 Pt2 S4 -","- C257.04 H276.08 F24 Fe4 N8 O29.98 P16 Pd4 Pt4 S8 -","2","1","","Vajpayee, Vaishali; Kim, Hyunuk; Mishra, Anurag; Mukherjee, Partha Sarathi; Stang, Peter J.; Lee, Min Hyung; Kim, Hwan Kyu; Chi, Ki-Whan","Self-assembled molecular squares containing metal-based donor: synthesis and application in the sensing of nitro-aromatics.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3112","3115","10.1039/c0dt01481h","","","0.9","synchrotron","","0.0927","0.08","","","0.2329","0.2499","","","","","","1.104","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015314","13.851","0.003","22.464","0.005","51.056","0.01","90","","96.35","0.03","90","","15789","6","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C127 H157 Cl6 F12 Fe2 N4 O21.5 P8 Pt4 S4 -","- C127 H138 Cl6 F12 Fe2 N4 O21.5 P8 Pt4 S4 -","- C508 H552 Cl24 F48 Fe8 N16 O86 P32 Pt16 S16 -","4","1","","Vajpayee, Vaishali; Kim, Hyunuk; Mishra, Anurag; Mukherjee, Partha Sarathi; Stang, Peter J.; Lee, Min Hyung; Kim, Hwan Kyu; Chi, Ki-Whan","Self-assembled molecular squares containing metal-based donor: synthesis and application in the sensing of nitro-aromatics.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3112","3115","10.1039/c0dt01481h","","","0.9","synchrotron","","0.1474","0.122","","","0.3434","0.3743","","","","","","1.567","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015315","11.0477","0.0004","19.2862","0.0007","12.8398","0.0003","90","","108.749","0.002","90","","2590.58","0.15","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H78 Li6 N8 Si4 -","- C38 H78 Li6 N8 Si4 -","- C76 H156 Li12 N16 Si8 -","2","0.5","","Coles, Martyn P.; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Maron, Laurent","Synthesis and structures of the [benzamidinato]3- complexes Li3(tmeda)(L1)]2 and [Li(thf)4][Li5(L2)(OEt2)2] [L1 = N(SiMe3)C(Ph)N(SiMe3) and L2 = N(SiMe3)C(C6H4-4)NPh].","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3047","3052","10.1039/c0dt01482f","","x-ray","0.71073","MoKα","","0.0722","0.048","","","0.116","0.1303","","","","","","0.965","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015316","12.2767","0.0005","12.2767","0.0005","42.514","0.002","90","","90","","90","","6407.6","0.5","173","2","173","2","","","","","","","synthesis as described","6","P 41 21 2","P 4abw 2nw","92","","","","- C58 H94 Li6 N4 O6 Si2 -","- C58 H94 Li6 N4 O6 Si2 -","- C232 H376 Li24 N16 O24 Si8 -","4","0.5","","Coles, Martyn P.; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Maron, Laurent","Synthesis and structures of the [benzamidinato]3- complexes Li3(tmeda)(L1)]2 and [Li(thf)4][Li5(L2)(OEt2)2] [L1 = N(SiMe3)C(Ph)N(SiMe3) and L2 = N(SiMe3)C(C6H4-4)NPh].","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3047","3052","10.1039/c0dt01482f","","x-ray","0.71073","MoKα","","0.0987","0.0733","","","0.1877","0.2081","","","","","","1.025","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015317","28.548","0.009","16.552","0.005","16.073","0.005","90","","111.443","0.005","90","","7069","4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H34.6 Cl Co2 N12 O10.8 -","- C25 H31 Cl Co2 N12 O10.75 -","- C200 H248 Cl8 Co16 N96 O86 -","8","1","","Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.","Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3466","3475","10.1039/c0dt01487g","","","0.71075","MoKα","","0.1113","0.1033","","","0.2672","0.2746","","","","","","1.196","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015318","14.584","0.009","7.305","0.004","12.245","0.007","90","","107.787","0.007","90","","1242.2","1.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N4 Ni O7.5 -","- C7 H12 N4 Ni O7.5 -","- C28 H48 N16 Ni4 O30 -","4","1","","Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.","Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3466","3475","10.1039/c0dt01487g","","","0.71075","MoKα","","0.0612","0.0608","","","0.1589","0.1591","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015319","10.216","0.006","5.797","0.004","17.111","0.01","90","","91.005","0.006","90","","1013.2","1.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cu N4 O6 -","- C7 H10 Cu N4 O6 -","- C28 H40 Cu4 N16 O24 -","4","1","","Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.","Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3466","3475","10.1039/c0dt01487g","","","0.71075","MoKα","","0.0245","0.024","","","0.0633","0.0637","","","","","","1.075","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015320","15.808","0.003","15.808","0.003","11.932","0.002","90","","90","","90","","2981.7","0.9","153","2","153","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C28 H61 N16 Ni6 O32.5 S4 -","- C28 H61 N16 Ni6 O32.5 S4 -","- C56 H122 N32 Ni12 O65 S8 -","2","0.125","","Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.","Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3466","3475","10.1039/c0dt01487g","","","0.71075","MoKα","","0.0417","0.0417","","","0.1175","0.1175","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015321","12.4448","0.0014","12.8355","0.0014","10.6625","0.0012","90","","97.964","0.002","90","","1686.8","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H17.25 Cl2 Co N6.75 O3 -","- C10.5 H17.25 Cl2 Co N6.75 O3 -","- C42 H69 Cl8 Co4 N27 O12 -","4","1","","Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.","Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3466","3475","10.1039/c0dt01487g","","","0.71075","MoKα","","0.0411","0.0407","","","0.1093","0.1096","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015322","8.5454","0.001","10.1776","0.0013","10.7934","0.0013","82.511","0.007","71.639","0.006","82.963","0.007","880.02","0.19","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.4 H17.1 Br2 Co N6.7 O3 -","- C10.4 H16.1 Br2 Co N6.7 O3 -","- C20.8 H32.2 Br4 Co2 N13.4 O6 -","2","1","","Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.","Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3466","3475","10.1039/c0dt01487g","","","0.71069","MoKα","","0.0853","0.0789","","","0.219","0.2263","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015323","15.241","0.003","22.657","0.005","24.327","0.004","80.5","0.011","77.768","0.015","88.138","0.016","8097","3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H78 Cl4 N24 Ni4 O33.5 S4 -","- C36 H48 Cl4 N24 Ni4 O24.5 S4 -","- C144 H192 Cl16 N96 Ni16 O98 S16 -","4","2","","Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.","Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3466","3475","10.1039/c0dt01487g","","","0.71075","MoKα","","0.1467","0.1153","","","0.2965","0.3256","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015324","28.4916","0.0008","28.4916","0.0008","30.0145","0.0015","90","","90","","120","","21100.6","1.3","153","2","153","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C31 H73.5 N16 Ni5.25 O39 -","- C28 H30 N16 Ni5.25 O27.5 -","- C336 H360 N192 Ni63 O330 -","12","1","","Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.","Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3466","3475","10.1039/c0dt01487g","","","0.71075","MoKα","","0.0747","0.0675","","","0.1735","0.1797","","","","","","1.115","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015325","5.0197","0.0004","7.1203","0.0007","8.9198","0.0009","103.003","0.006","102.2","0.005","103.575","0.005","289.98","0.05","296","","296","","","","","","","","Synthesied in our laboratory","5","P -1","-P 1","2","Lithium Sodium diamidoborane","Lithium Sodium diamidoborane","","- B2 H10 Li N2 Na -","- B2 H10 Li N2 Na -","- B4 H20 Li2 N4 Na2 -","2","1","","Fijalkowski, Karol J.; Genova, Radostina V.; Filinchuk, Yaroslav; Budzianowski, Armand; Derzsi, Mariana; Jaroń, Tomasz; Leszczyński, Piotr J; Grochala, Wojciech","Na[Li(NH2BH3)2]‒the first mixed-cation amidoborane with unusual crystal structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4407","4413","10.1039/c0dt01491e","powder diffraction","","0.73808","synchrotron","","","","","","","","","0.02072","1.228","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015326","10.1991","0.0013","6.5786","0.0008","24.405","0.003","90","","92.011","0.004","90","","1636.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 Mn1.1 Ni3.9 O30 -","- C20 H42 Mn1.1 Ni3.9 O30 -","- C40 H84 Mn2.2 Ni7.8 O60 -","2","0.5","","Ou, Yong-Cong; Wang, Jing; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Two new 1,2,4,5-cyclohexanetetracarboxylate-bridged frameworks with metal hydroxide subunits. Synthesis, structures, magnetism and adsorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3592","3600","10.1039/c0dt01497d","","","0.71073","MoKα","","0.0429","0.0346","","","0.0797","0.083","","","","","","1.111","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015327","22.1211","0.0012","17.5536","0.001","7.048","0.0005","90","","97.06","0.002","90","","2716","0.3","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C35 H56 N4 Ni4 O32 -","- C35 H37 N4 Ni4 O32 -","- C70 H74 N8 Ni8 O64 -","2","0.25","","Ou, Yong-Cong; Wang, Jing; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Two new 1,2,4,5-cyclohexanetetracarboxylate-bridged frameworks with metal hydroxide subunits. Synthesis, structures, magnetism and adsorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3592","3600","10.1039/c0dt01497d","","","0.71073","MoKα","","0.0602","0.0531","","","0.1584","0.1637","","","","","","1.158","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015328","10.867","0.002","10.846","0.002","19.07","0.004","90","","103.15","0.03","90","","2188.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 N8 Na2 Ni2 O14 -","- C38 H42 N8 Na2 Ni2 O14 -","- C76 H84 N16 Na4 Ni4 O28 -","2","0.5","","Zhang, Shu-Hua; Li, Ning; Ge, Cheng-Min; Feng, Chao; Ma, Lu-Fang","Structures and magnetism of {Ni2Na2}, {Ni4} and {Ni6(II)Ni(III)} 2-hydroxy-3-alkoxy-benzaldehyde clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3000","3007","10.1039/c0dt01498b","","","0.71073","MoKα","","0.0876","0.0442","","","0.0748","0.0833","","","","","","0.939","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015329","16.78","0.003","16.78","0.003","18.814","0.008","90","","90","","90","","5297","3","296","2","296","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C41.05 H58.1 Ni4 O20 -","- C41.052 H58.104 Ni4 O20 -","- C164.208 H232.416 Ni16 O80 -","4","0.25","","Zhang, Shu-Hua; Li, Ning; Ge, Cheng-Min; Feng, Chao; Ma, Lu-Fang","Structures and magnetism of {Ni2Na2}, {Ni4} and {Ni6(II)Ni(III)} 2-hydroxy-3-alkoxy-benzaldehyde clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3000","3007","10.1039/c0dt01498b","","","0.71073","MoKα","","0.0936","0.0589","","","0.1627","0.2134","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015330","21.751","0.002","13.7046","0.0014","22.953","0.002","90","","108.259","0.001","90","","6497.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl3 Ni7 O36 -","- C48 H48 Cl3 Ni7 O36 -","- C192 H192 Cl12 Ni28 O144 -","4","0.5","","Zhang, Shu-Hua; Li, Ning; Ge, Cheng-Min; Feng, Chao; Ma, Lu-Fang","Structures and magnetism of {Ni2Na2}, {Ni4} and {Ni6(II)Ni(III)} 2-hydroxy-3-alkoxy-benzaldehyde clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3000","3007","10.1039/c0dt01498b","","","0.71073","MoKα","","0.0957","0.0658","","","0.1929","0.2046","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015331","11.9034","0.0006","11.1168","0.0005","21.426","0.0009","90","","97.873","0.004","90","","2808.5","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 O8 -","- C34 H26 O8 -","- C136 H104 O32 -","4","1","","Wu, Chung-Yeh; Lin, Ying-Chih; Chou, Pi-Tai; Wang, Yu; Liu, Yi-Hung","One-pot synthesis of substituted benzene via intermolecular [2+2+2] cycloaddition catalyzed by air-stable Ru(II)-complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3748","3753","10.1039/c0dt01502d","","","1.54178","CuKα","","0.2295","0.1341","","","0.3213","0.3622","","","","","","1.779","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015332","9.0718","0.0003","19.0514","0.0009","11.6545","0.0004","90","","91.567","0.004","90","","2013.5","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O8 S2 -","- C22 H16 O8 S2 -","- C88 H64 O32 S8 -","4","1","","Wu, Chung-Yeh; Lin, Ying-Chih; Chou, Pi-Tai; Wang, Yu; Liu, Yi-Hung","One-pot synthesis of substituted benzene via intermolecular [2+2+2] cycloaddition catalyzed by air-stable Ru(II)-complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3748","3753","10.1039/c0dt01502d","","","1.54178","CuKα","","0.0882","0.0668","","","0.1909","0.2088","","","","","","1.434","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015333","8.7912","0.0001","13.5652","0.0001","24.5222","0.0002","90","","98.62","0.001","90","","2891.35","0.05","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 O8 -","- C34 H26 O8 -","- C136 H104 O32 -","4","1","","Wu, Chung-Yeh; Lin, Ying-Chih; Chou, Pi-Tai; Wang, Yu; Liu, Yi-Hung","One-pot synthesis of substituted benzene via intermolecular [2+2+2] cycloaddition catalyzed by air-stable Ru(II)-complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3748","3753","10.1039/c0dt01502d","","","1.54178","CuKα","","0.0441","0.0405","","","0.1572","0.1623","","","","","","1.454","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015334","12.0972","0.0003","14.912","0.0004","20.7722","0.0006","72.261","0.002","77.37","0.002","89.011","0.002","3477.73","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H61 Cl4 O24.5 -","- C69 H61 Cl4 O24.5 -","- C138 H122 Cl8 O49 -","2","1","","Wu, Chung-Yeh; Lin, Ying-Chih; Chou, Pi-Tai; Wang, Yu; Liu, Yi-Hung","One-pot synthesis of substituted benzene via intermolecular [2+2+2] cycloaddition catalyzed by air-stable Ru(II)-complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3748","3753","10.1039/c0dt01502d","","","1.54178","CuKα","","0.0939","0.0739","","","0.2115","0.2212","","","","","","1.555","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015335","13.309","0.002","27.404","0.004","16.686","0.003","90","","105.115","0.002","90","","5875.2","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 La2 N6 O26 S2 -","- C100 H92 La2 N6 O26 S2 -","- C200 H184 La4 N12 O52 S4 -","2","0.5","","Zhang, Ai-Jiang; Wang, Ya-Wen; Dou, Wei; Dong, Ming; Zhang, Yan-Ling; Tang, Yu; Liu, Wei-Sheng; Peng, Yu","Synthesis, crystal structures, luminescent and magnetic properties of homodinuclear lanthanide complexes with a flexible tripodal carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2844","2851","10.1039/c0dt01514h","","","0.71073","MoKα","","0.0963","0.0557","","","0.127","0.1388","","","","","","0.949","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015336","13.3016","0.0005","27.1952","0.0012","16.6339","0.0007","90","","105.03","0.002","90","","5811.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 N6 Nd2 O26 S2 -","- C100 H92 N6 Nd2 O26 S2 -","- C200 H184 N12 Nd4 O52 S4 -","2","0.5","","Zhang, Ai-Jiang; Wang, Ya-Wen; Dou, Wei; Dong, Ming; Zhang, Yan-Ling; Tang, Yu; Liu, Wei-Sheng; Peng, Yu","Synthesis, crystal structures, luminescent and magnetic properties of homodinuclear lanthanide complexes with a flexible tripodal carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2844","2851","10.1039/c0dt01514h","","","0.71073","MoKα","","0.1278","0.0566","","","0.1124","0.127","","","","","","0.839","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015337","13.2797","0.001","27.072","0.002","16.6564","0.0013","90","","104.939","0.001","90","","5785.7","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 Eu2 N6 O26 S2 -","- C100 H92 Eu2 N6 O26 S2 -","- C200 H184 Eu4 N12 O52 S4 -","2","0.5","","Zhang, Ai-Jiang; Wang, Ya-Wen; Dou, Wei; Dong, Ming; Zhang, Yan-Ling; Tang, Yu; Liu, Wei-Sheng; Peng, Yu","Synthesis, crystal structures, luminescent and magnetic properties of homodinuclear lanthanide complexes with a flexible tripodal carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2844","2851","10.1039/c0dt01514h","","","0.71073","MoKα","","0.0751","0.0428","","","0.1091","0.1177","","","","","","1.013","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015338","13.2855","0.0003","27.0074","0.0006","16.6357","0.0003","90","","104.979","0.001","90","","5766.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 Gd2 N6 O26 S2 -","- C100 H92 Gd2 N6 O26 S2 -","- C200 H184 Gd4 N12 O52 S4 -","2","0.5","","Zhang, Ai-Jiang; Wang, Ya-Wen; Dou, Wei; Dong, Ming; Zhang, Yan-Ling; Tang, Yu; Liu, Wei-Sheng; Peng, Yu","Synthesis, crystal structures, luminescent and magnetic properties of homodinuclear lanthanide complexes with a flexible tripodal carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2844","2851","10.1039/c0dt01514h","","","0.71073","MoKα","","0.0762","0.0413","","","0.0738","0.0812","","","","","","0.888","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015339","13.2837","0.0005","26.9105","0.001","16.6066","0.0006","90","","104.917","0.002","90","","5736.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 Dy2 N6 O26 S2 -","- C100 H92 Dy2 N6 O26 S2 -","- C200 H184 Dy4 N12 O52 S4 -","2","0.5","","Zhang, Ai-Jiang; Wang, Ya-Wen; Dou, Wei; Dong, Ming; Zhang, Yan-Ling; Tang, Yu; Liu, Wei-Sheng; Peng, Yu","Synthesis, crystal structures, luminescent and magnetic properties of homodinuclear lanthanide complexes with a flexible tripodal carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2844","2851","10.1039/c0dt01514h","","","0.71073","MoKα","","0.1055","0.049","","","0.091","0.1034","","","","","","0.834","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015340","13.8053","0.0016","13.8932","0.0018","14.0281","0.0016","103.698","0.01","106.301","0.01","104.191","0.011","2364.7","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H45 Mn3 N6 O12 -","- C51 H45 Mn3 N6 O12 -","- C102 H90 Mn6 N12 O24 -","2","1","","Kar, Paramita; Biswas, Rituparna; Drew, Michael G. B.; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Structure and magnetic properties of an unprecedented syn-anti μ-nitrito-1κO:2κO' bridged Mn(III)-salen complex and its isoelectronic and isostructural formate analogue.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3295","3304","10.1039/c0dt01521k","","","0.71073","MoKα","","0.1081","0.0796","","","0.2593","0.2672","","","","","","1.076","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015341","13.767","0.004","14.3539","0.0016","13.87","0.002","108.718","0.013","107.147","0.018","103.931","0.015","2303.9","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Mn3 N9 O12 -","- C48 H42 Mn3 N9 O12 -","- C96 H84 Mn6 N18 O24 -","2","1","","Kar, Paramita; Biswas, Rituparna; Drew, Michael G. B.; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Structure and magnetic properties of an unprecedented syn-anti μ-nitrito-1κO:2κO' bridged Mn(III)-salen complex and its isoelectronic and isostructural formate analogue.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3295","3304","10.1039/c0dt01521k","","","0.71073","MoKα","","0.1057","0.0478","","","0.0781","0.0869","","","","","","0.757","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015342","7.9753","0.0004","9.0989","0.0004","10.328","0.0006","112.022","0.004","94.776","0.006","98.031","0.004","680.42","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 As2 Cu2 N4 O12 -","- C22 H26 As2 Cu2 N4 O12 -","- C22 H26 As2 Cu2 N4 O12 -","1","0.5","","Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.","Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2822","2836","10.1039/c0dt01527j","","","0.71073","MoKα","","0.0437","0.0323","","","0.068","0.0749","","","","","","1.085","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015343","11.3561","0.0003","9.1757","0.0003","15.5166","0.0004","90","","110.876","0.002","90","","1510.69","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Cu N2 O8 S -","- C11 H16 Cu N2 O8 S -","- C44 H64 Cu4 N8 O32 S4 -","4","1","","Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.","Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2822","2836","10.1039/c0dt01527j","","","0.71073","MoKα","","0.0425","0.0309","","","0.0765","0.0809","","","","","","1.024","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7015344","15.222","0.007","7.432","0.002","26.225","0.009","90","","90","","90","","2966.8","1.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cu N2 O7 S -","- C11 H14 Cu N2 O7 S -","- C88 H112 Cu8 N16 O56 S8 -","8","1","","Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.","Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2822","2836","10.1039/c0dt01527j","","","0.71073","MoKα","","0.0881","0.0535","","","0.1294","0.148","","","","","","1.037","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015345","9.6052","0.0002","13.5156","0.0002","11.6369","0.0002","90","","108.934","0.0008","90","","1428.97","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cu N4 O14 S2 -","- C22 H30 Cu N4 O14 S2 -","- C44 H60 Cu2 N8 O28 S4 -","2","0.5","","Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.","Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2822","2836","10.1039/c0dt01527j","","","0.71073","MoKα","","0.0371","0.0301","","","0.0774","0.0806","","","","","","1.056","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015346","11.5658","0.0013","5.2797","0.0006","18.662","0.002","90","","90.281","0.004","90","","1139.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu N2 O4 -","- C12 H10 Cu N2 O4 -","- C48 H40 Cu4 N8 O16 -","4","1","","Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.","Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2822","2836","10.1039/c0dt01527j","","","0.71073","MoKα","","0.0748","0.0441","","","0.1218","0.1378","","","","","","0.97","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015347","6.91","0.0006","12.0491","0.0013","14.337","0.002","108.578","0.007","100.618","0.007","104.892","0.005","1046.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H50 Cu N12 O20 S2 -","- C26 H50 Cu N12 O20 S2 -","- C26 H50 Cu N12 O20 S2 -","1","0.5","","Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.","Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2822","2836","10.1039/c0dt01527j","","","0.71073","MoKα","","0.0878","0.0432","","","0.0705","0.0801","","","","","","0.854","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015348","4.9947","0.0003","8.5337","0.0005","19.0626","0.001","87.866","0.003","82.974","0.003","76.536","0.003","784.21","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu N4 O5 S -","- C14 H14 Cu N4 O5 S -","- C28 H28 Cu2 N8 O10 S2 -","2","1","","Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.","Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2822","2836","10.1039/c0dt01527j","","","0.71073","MoKα","","0.0631","0.0416","","","0.0912","0.0983","","","","","","1.03","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015349","11.656","0.003","19.486","0.004","11.051","0.003","90","","105.01","0.008","90","","2424.4","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Boc-Fca2-OMe","","","- C28 H30 Fe2 N2 O5 -","- C28 H30 Fe2 N2 O5 -","- C112 H120 Fe8 N8 O20 -","4","1","","Siebler, Daniel; Förster, Christoph; Heinze, Katja","Redox-responsive organometallic foldamers from ferrocene amino acid: solid-phase synthesis, secondary structure and mixed-valence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3558","3575","10.1039/c0dt01528h","","","0.71073","MoKα","","0.2516","0.0506","","","0.0694","0.1091","","","","","","0.622","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015350","10.5978","0.0005","13.1099","0.0006","17.8502","0.0008","82.684","0.001","74.957","0.001","66.876","0.001","2201.72","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1'-(fluorenylmethoxycarbonylamino)-ferrocene-1-carboxylic acid methyl ester","1'-(fluorenylmethoxycarbonylamino)-ferrocene-1-carboxylic acid methyl ester","","- C27 H23 Fe N O4 -","- C27 H23 Fe N O4 -","- C108 H92 Fe4 N4 O16 -","4","2","","Siebler, Daniel; Förster, Christoph; Heinze, Katja","Redox-responsive organometallic foldamers from ferrocene amino acid: solid-phase synthesis, secondary structure and mixed-valence properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3558","3575","10.1039/c0dt01528h","","","0.71073","MoKα","","0.064","0.0361","","","0.0795","0.0881","","","","","","0.9","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015351","9.3969","0.0019","10.297","0.002","12.44","0.003","68.91","0.03","82.78","0.03","64.73","0.03","1015","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N Si -","- C23 H29 N Si -","- C46 H58 N2 Si2 -","2","1","","Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W.","Titanium ""constrained geometry"" complexes with pendant arene groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2861","2867","10.1039/c0dt01530j","","","0.71073","MoKα","","0.0929","0.06","","","0.1644","0.1891","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015352","8.9918","0.0018","32.057","0.006","9.66","0.0019","90","","117.73","0.03","90","","2464.7","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 N3 Si Ti -","- C24 H41 N3 Si Ti -","- C96 H164 N12 Si4 Ti4 -","4","1","","Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W.","Titanium ""constrained geometry"" complexes with pendant arene groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2861","2867","10.1039/c0dt01530j","","","0.71073","MoKα","","0.1204","0.0552","","","0.1273","0.1575","","","","","","0.996","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015353","8.7355","0.0017","12.022","0.002","12.655","0.003","85.17","0.03","82.55","0.03","79.94","0.03","1294.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 N3 Si Ti -","- C27 H39 N3 Si Ti -","- C54 H78 N6 Si2 Ti2 -","2","1","","Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W.","Titanium ""constrained geometry"" complexes with pendant arene groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2861","2867","10.1039/c0dt01530j","","","0.71073","MoKα","","0.1073","0.0548","","","0.1289","0.1551","","","","","","1.028","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015354","19.434","0.004","8.4193","0.0017","14.943","0.003","90","","111.49","0.03","90","","2275","0.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H29 I2 N Si Ti -","- C20 H29 I2 N Si Ti -","- C80 H116 I8 N4 Si4 Ti4 -","4","1","","Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W.","Titanium ""constrained geometry"" complexes with pendant arene groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2861","2867","10.1039/c0dt01530j","","","0.71073","MoKα","","0.0408","0.0333","","","0.0728","0.0775","","","","","","1.096","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015355","15.316","0.003","7.7666","0.0016","21.15","0.004","90","","108.64","0.03","90","","2383.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I2 N Si Ti -","- C23 H27 I2 N Si Ti -","- C92 H108 I8 N4 Si4 Ti4 -","4","1","","Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W.","Titanium ""constrained geometry"" complexes with pendant arene groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2861","2867","10.1039/c0dt01530j","","","0.71073","MoKα","","0.1364","0.059","","","0.1287","0.1655","","","","","","1.021","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015356","7.5742","0.0015","11.756","0.002","13.062","0.003","80.73","0.03","85.9","0.03","83.85","0.03","1139.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H33 N Si Ti -","- C25 H33 N Si Ti -","- C50 H66 N2 Si2 Ti2 -","2","1","","Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W.","Titanium ""constrained geometry"" complexes with pendant arene groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2861","2867","10.1039/c0dt01530j","","","0.71073","MoKα","","0.2394","0.1179","","","0.2902","0.3469","","","","","","1.07","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015357","34.3874","0.0012","34.3874","0.0012","10.0836","0.0005","90","","90","","120","","10326.3","0.7","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C15 H26 Br2 N6 O Pd -","- C15.056 H18.112 Br2 N6 O0.99 Pd -","- C271.008 H326.016 Br36 N108 O17.82 Pd18 -","18","1","","Hornillos, Valentín; Guerra, Javier; de Cózar, Abel; Prieto, Pilar; Merino, Sonia; Maestro, Miguel A.; Díez-Barra, Enrique; Tejeda, Juan","Synthesis and characterization of metallodendritic palladium-biscarbene complexes derived from 1,1'-methylenebis(1,2,4-triazole).","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4095","4103","10.1039/c0dt01535k","","","0.71073","MoKα","","0.0575","0.0337","","","0.0926","0.1045","","","","","","1.094","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015358","10.4862","0.0006","15.5606","0.0009","14.7375","0.0008","90","","100.57","0.001","90","","2363.9","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Br2 N6 O3 Pd S -","- C16 H23 Br2 N6 O3 Pd S -","- C64 H92 Br8 N24 O12 Pd4 S4 -","4","1","","Hornillos, Valentín; Guerra, Javier; de Cózar, Abel; Prieto, Pilar; Merino, Sonia; Maestro, Miguel A.; Díez-Barra, Enrique; Tejeda, Juan","Synthesis and characterization of metallodendritic palladium-biscarbene complexes derived from 1,1'-methylenebis(1,2,4-triazole).","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4095","4103","10.1039/c0dt01535k","","","0.71073","MoKα","","0.0466","0.0337","","","0.0885","0.0945","","","","","","1.054","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015359","13.0982","0.0011","13.2447","0.0008","17.8453","0.0011","90","","90","","90","","3095.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H18 Al B5 N2 O10 -","- C5 H18 Al B5 N2 O10 -","- C40 H144 Al8 B40 N16 O80 -","8","1","","Cao, Gao-Juan; Lin, Jian; Fang, Wei-Hui; Zheng, Shou-Tian; Yang, Guo-Yu","Open-framework aluminoborates co-templated by two types of primary amines.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2940","2946","10.1039/c0dt01537g","","","0.71073","MoKα","","0.0417","0.0372","","","0.0998","0.1035","","","","","","1.091","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015360","13.1331","0.0013","13.359","0.0009","17.9234","0.0013","90","","90","","90","","3144.6","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H20 Al B5 N2 O10 -","- C6 H20 Al B5 N2 O10 -","- C48 H160 Al8 B40 N16 O80 -","8","1","","Cao, Gao-Juan; Lin, Jian; Fang, Wei-Hui; Zheng, Shou-Tian; Yang, Guo-Yu","Open-framework aluminoborates co-templated by two types of primary amines.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2940","2946","10.1039/c0dt01537g","","","0.71073","MoKα","","0.0669","0.057","","","0.1716","0.1848","","","","","","1.009","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015361","13.0751","0.0009","13.3143","0.0008","17.3722","0.0012","90","","90","","90","","3024.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H17 Al B5 N2 O10.5 -","- C4 H17 Al B5 N2 O10.5 -","- C32 H136 Al8 B40 N16 O84 -","8","1","","Cao, Gao-Juan; Lin, Jian; Fang, Wei-Hui; Zheng, Shou-Tian; Yang, Guo-Yu","Open-framework aluminoborates co-templated by two types of primary amines.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2940","2946","10.1039/c0dt01537g","","","0.71073","MoKα","","0.0753","0.0658","","","0.2016","0.211","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015362","13.458","0.011","15.599","0.014","7.326","0.006","90","","90","","90","","1538","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H18 Al B5 N2 O12 -","- C3 H18 Al B5 N2 O12 -","- C12 H72 Al4 B20 N8 O48 -","4","1","","Cao, Gao-Juan; Lin, Jian; Fang, Wei-Hui; Zheng, Shou-Tian; Yang, Guo-Yu","Open-framework aluminoborates co-templated by two types of primary amines.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2940","2946","10.1039/c0dt01537g","","","0.71073","MoKα","","0.0907","0.069","","","0.1653","0.1811","","","","","","1.088","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015363","42.701","0.009","27.91","0.006","18.923","0.004","90","","112.696","0.01","90","","20806","8","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H70 Hf4 K12 O113 Si2 W20 -","- C4 H6 Hf4 K12 O101 Si2 W20 -","- C32 H48 Hf32 K96 O808 Si16 W160 -","8","1","","Assran, Awatef S.; Mal, Sib Sankar; Izarova, Natalya V.; Banerjee, Abhishek; Suchopar, Andreas; Sadakane, Masahiro; Kortz, Ulrich","Alpha and beta isomers of tetrahafnium(IV) containing decatungstosilicates, [Hf4(OH)6(CH3COO)2(x-SiW10O37)2]12- (x = α, β).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2920","2925","10.1039/c0dt01543a","","","0.71073","MoKα","","0.0706","0.0464","","","0.1115","0.1227","","","","","","1.05","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015364","11.9568","0.0007","14.0724","0.0009","16.9434","0.0013","87.005","0.004","81.778","0.004","80.056","0.004","2778.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H76 Hf4 K12 O116 Si2 W20 -","- C4 H6 Hf4 K12 O116 Si2 W20 -","- C4 H6 Hf4 K12 O116 Si2 W20 -","1","0.5","","Assran, Awatef S.; Mal, Sib Sankar; Izarova, Natalya V.; Banerjee, Abhishek; Suchopar, Andreas; Sadakane, Masahiro; Kortz, Ulrich","Alpha and beta isomers of tetrahafnium(IV) containing decatungstosilicates, [Hf4(OH)6(CH3COO)2(x-SiW10O37)2]12- (x = α, β).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2920","2925","10.1039/c0dt01543a","","","0.71073","MoKα","","0.108","0.0582","","","0.1388","0.1663","","","","","","1.015","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015365","18.953","0.005","13.837","0.003","24.997","0.006","90","","109.077","0.005","90","","6196","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 Cl Cr Mn2 N6 O22 -","- C52 H64 Cl Cr Mn2 N6 O22 -","- C208 H256 Cl4 Cr4 Mn8 N24 O88 -","4","1","","Zhou, Hong-Bo; Wang, Hui-Sheng; Chen, Ying; Xu, Yong-Lu; Song, Xiao-Jiao; Song, You; Zhang, Yi-Quan; You, Xiao-Zeng","Synthesis, structure, magnetic properties and DFT calculations of two hydroxo-bridged complexes based on Mn(III)(Schiff-Bases).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5999","6006","10.1039/c0dt01544j","","","0.71073","MoKα","","0.0965","0.066","","","0.1676","0.1782","","","","","","1.05","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015366","13.886","0.004","23.749","0.006","14.729","0.003","90","","122.03","0.019","90","","4118","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H43 Cl Mn2 N4 O12 -","- C36 H43 Cl Mn2 N4 O12 -","- C144 H172 Cl4 Mn8 N16 O48 -","4","1","","Zhou, Hong-Bo; Wang, Hui-Sheng; Chen, Ying; Xu, Yong-Lu; Song, Xiao-Jiao; Song, You; Zhang, Yi-Quan; You, Xiao-Zeng","Synthesis, structure, magnetic properties and DFT calculations of two hydroxo-bridged complexes based on Mn(III)(Schiff-Bases).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5999","6006","10.1039/c0dt01544j","","","0.71073","MoKα","","0.1083","0.0664","","","0.159","0.1717","","","","","","1.056","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015367","9.6279","0.0002","9.584","0.0002","9.9532","0.0002","109.241","0.001","103.787","0.001","98.491","0.001","816.11","0.03","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","[{V(OiPr)4}2]","","","- C24 H56 O8 V2 -","- C24 H56 O8 V2 -","- C24 H56 O8 V2 -","1","0.5","","Westrup, Kátia C M; Gregório, Thaiane; Stinghen, Danilo; Reis, Dayane M.; Hitchcock, Peter B.; Ribeiro, Ronny R.; Barison, Andersson; Back, Davi F.; de Sá, Eduardo L; Nunes, Giovana G.; Soares, Jaísa F","Non-oxo vanadium(IV) alkoxide chemistry: solid state structures, aggregation equilibria and thermochromic behaviour in solution.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3198","3210","10.1039/c0dt01547d","","x-ray","0.71073","MoKα","","0.0337","0.0295","","","0.0698","0.072","","","","","","1.044","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015368","10.9481","0.0008","10.9738","0.0007","11.4416","0.0006","63.298","0.004","88.58","0.004","88.169","0.003","1227.31","0.14","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C40 H88 O8 V2 -","- C40 H88 O8 V2 -","- C40 H88 O8 V2 -","1","0.5","","Westrup, Kátia C M; Gregório, Thaiane; Stinghen, Danilo; Reis, Dayane M.; Hitchcock, Peter B.; Ribeiro, Ronny R.; Barison, Andersson; Back, Davi F.; de Sá, Eduardo L; Nunes, Giovana G.; Soares, Jaísa F","Non-oxo vanadium(IV) alkoxide chemistry: solid state structures, aggregation equilibria and thermochromic behaviour in solution.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3198","3210","10.1039/c0dt01547d","","x-ray","0.71073","MoKα","","0.112","0.0999","","","0.3306","0.3377","","","","","","1.201","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015369","12.6317","0.0009","17.4642","0.0009","21.9583","0.0014","90","","92.655","0.004","90","","4838.9","0.5","139","2","139","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","vanadium complex","vanadium complex","","- C48 H88 O8 V2 -","- C48 H88 O8 V2 -","- C192 H352 O32 V8 -","4","0.5","","Westrup, Kátia C M; Gregório, Thaiane; Stinghen, Danilo; Reis, Dayane M.; Hitchcock, Peter B.; Ribeiro, Ronny R.; Barison, Andersson; Back, Davi F.; de Sá, Eduardo L; Nunes, Giovana G.; Soares, Jaísa F","Non-oxo vanadium(IV) alkoxide chemistry: solid state structures, aggregation equilibria and thermochromic behaviour in solution.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3198","3210","10.1039/c0dt01547d","","","0.71073","MoKα","","0.0367","0.0318","","","0.0957","0.1047","","","","","","0.921","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015370","7.2254","0.0003","8.4194","0.0004","21.4719","0.001","90","","90","","90","","1306.21","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N3 S -","- C14 H13 N3 S -","- C56 H52 N12 S4 -","4","1","","Basu, Arghya; Das, Gopal","Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2837","2843","10.1039/c0dt01549k","","","0.71073","MoKα","","0.0557","0.0368","","","0.0986","0.1053","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015371","8.8572","0.0009","8.964","0.0009","9.6791","0.001","98.898","0.007","99.319","0.007","113.365","0.005","675.52","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 S -","- C14 H15 N3 S -","- C28 H30 N6 S2 -","2","1","","Basu, Arghya; Das, Gopal","Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2837","2843","10.1039/c0dt01549k","","","0.71073","MoKα","","0.1368","0.0828","","","0.1915","0.2043","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015372","25.962","0.001","7.7407","0.0003","13.1235","0.0005","90","","96.079","0.004","90","","2622.52","0.18","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 Ni S2 -","- C28 H28 N6 Ni S2 -","- C112 H112 N24 Ni4 S8 -","4","0.5","","Basu, Arghya; Das, Gopal","Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2837","2843","10.1039/c0dt01549k","","","0.71073","MoKα","","0.0493","0.0348","","","0.0879","0.0923","","","","","","0.978","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015373","26.8575","0.001","7.4489","0.0003","13.6206","0.0004","90","","98.572","0.004","90","","2694.48","0.17","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 S2 Zn -","- C28 H28 N6 S2 Zn -","- C112 H112 N24 S8 Zn4 -","4","0.5","","Basu, Arghya; Das, Gopal","Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2837","2843","10.1039/c0dt01549k","","","0.71073","MoKα","","0.0717","0.0441","","","0.0997","0.1073","","","","","","0.89","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015374","10.0082","0.0003","20.6549","0.0005","21.9508","0.0006","90","","95.564","0.002","90","","4516.3","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H48 B Cl F4 O P2 Ru -","- C50.5 H48 B Cl F4 O P2 Ru -","- C202 H192 B4 Cl4 F16 O4 P8 Ru4 -","4","1","","Yang, Hsuan; Chung, Chia-Pei; Lin, Ying-Chih; Liu, Yi-Hong","Facile oxygenation reactions of ruthenium acetylide complex containing substituted olefinic group.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3703","3710","10.1039/c0dt01551b","","","0.71073","MoKα","","0.0843","0.0427","","","0.1034","0.1132","","","","","","0.817","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015375","9.7453","0.0002","9.8887","0.0002","21.9565","0.0003","102.05","0.001","96.64","0.001","101.361","0.002","2001.45","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 O2 P2 Ru -","- C50 H46 O2 P2 Ru -","- C100 H92 O4 P4 Ru2 -","2","1","","Yang, Hsuan; Chung, Chia-Pei; Lin, Ying-Chih; Liu, Yi-Hong","Facile oxygenation reactions of ruthenium acetylide complex containing substituted olefinic group.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3703","3710","10.1039/c0dt01551b","","","0.71073","MoKα","","0.0282","0.0228","","","0.0567","0.0585","","","","","","0.944","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015376","10.5539","0.0006","12.7614","0.0008","17.0757","0.001","100.751","0.002","94.365","0.002","94.139","0.003","2244.1","0.2","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38.5 Cl Mn2 N8.5 O13 S2 -","- C38 H38.5 Cl Mn2 N8.5 O13 S2 -","- C76 H77 Cl2 Mn4 N17 O26 S4 -","2","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.0612","0.0426","","","0.114","0.1234","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015377","16.1552","0.0006","18.7603","0.0007","18.8822","0.0007","90","","104.151","0.002","90","","5549.1","0.4","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H53 Cl Mn2 N8 O17 S2 -","- C53 H53 Cl Mn2 N8 O17 S2 -","- C212 H212 Cl4 Mn8 N32 O68 S8 -","4","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.1221","0.0571","","","0.1262","0.15","","","","","","1.014","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015378","9.3915","0.0003","13.2868","0.0004","18.5255","0.0008","110.606","0.002","94.929","0.003","97.08","0.002","2126.37","0.14","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H37 Cl Co2 N8 O13 S2 -","- C37 H37 Cl Co2 N8 O13 S2 -","- C74 H74 Cl2 Co4 N16 O26 S4 -","2","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.0583","0.0388","","","0.1032","0.1086","","","","","","1.069","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015379","16.2647","0.0013","19.8095","0.0016","18.7038","0.0014","90","","106.037","0.003","90","","5791.8","0.8","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H59 Cl Co2 N6 O19 S2 -","- C55 H59 Cl Co2 N6 O19 S2 -","- C220 H236 Cl4 Co8 N24 O76 S8 -","4","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.0731","0.0373","","","0.0799","0.0896","","","","","","1.023","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015380","9.8414","0.0014","25.087","0.004","16.78","0.002","90","","100.605","0.003","90","","4072.1","1","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl Mn2 N7 O9 -","- C40 H44 Cl Mn2 N7 O9 -","- C160 H176 Cl4 Mn8 N28 O36 -","4","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.0944","0.046","","","0.0994","0.1158","","","","","","1.012","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015381","9.5344","0.0004","23.6857","0.001","17.8475","0.0007","90","","94.634","0.001","90","","4017.3","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl Mn2 N6 O10.5 -","- C38 H44 Cl Mn2 N6 O10.5 -","- C152 H176 Cl4 Mn8 N24 O42 -","4","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.0893","0.053","","","0.1404","0.1603","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015382","12.1472","0.0005","22.0062","0.001","16.9073","0.0007","90","","96.278","0.001","90","","4492.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.7 H47.55 Cl1.15 Mn2 N6.85 O9.6 -","- C41.7 H47.55 Cl1.15 Mn2 N6.85 O9.6 -","- C166.8 H190.2 Cl4.6 Mn8 N27.4 O38.4 -","4","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.1003","0.0586","","","0.1378","0.1564","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015383","10.0416","0.0013","11.1647","0.0015","20.987","0.003","81.088","0.006","84.15","0.005","77.758","0.005","2265.8","0.5","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Cl F6 Mn2 N7 O9 -","- C42 H42 Cl F6 Mn2 N7 O9 -","- C84 H84 Cl2 F12 Mn4 N14 O18 -","2","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.0369","0.0279","","","0.0724","0.0755","","","","","","1.075","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015384","12.0489","0.0005","21.8143","0.001","16.8981","0.0008","90","","96.195","0.002","90","","4415.5","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl Co2 N7 O9 -","- C42 H48 Cl Co2 N7 O9 -","- C168 H192 Cl4 Co8 N28 O36 -","4","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.0714","0.0379","","","0.0878","0.1001","","","","","","1.018","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015385","12.249","0.0004","21.8499","0.0008","16.4739","0.0006","90","","94.346","0.002","90","","4396.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H47 Cl2 Co2 N6 O14 -","- C40 H45 Cl2 Co2 N6 O14 -","- C160 H180 Cl8 Co8 N24 O56 -","4","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.0775","0.0436","","","0.112","0.1218","","","","","","1.075","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015386","12.6557","0.0012","21.836","0.002","17.0944","0.0015","90","","98.764","0.003","90","","4668.9","0.7","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 Cl Co2 F6 N6 O10 -","- C41 H43 Cl Co2 F6 N6 O10 -","- C164 H172 Cl4 Co8 F24 N24 O40 -","4","1","","Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.","Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3336","3345","10.1039/c0dt01552k","","","0.71073","MoKα","","0.0718","0.0565","","","0.1479","0.157","","","","","","1.117","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015387","15.1526","0.0009","14.2238","0.0009","16.0841","0.001","90","","92.29","0.001","90","","3463.8","0.4","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl2 Mn N4 -","- C15 H20 Cl2 Mn N4 -","- C120 H160 Cl16 Mn8 N32 -","8","2","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","x-ray","0.71073","MoKα","","0.1261","0.0705","","","0.1422","0.1638","","","","","","1.036","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015388","6.7657","0.0002","30.3959","0.0011","18.741","0.0007","90","","98.452","0.001","90","","3812.2","0.2","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Cl2 Mn N4 -","- C17 H24 Cl2 Mn N4 -","- C136 H192 Cl16 Mn8 N32 -","8","2","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","x-ray","0.71073","MoKα","","0.1362","0.1047","","","0.1805","0.192","","","","","","1.264","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015389","11.3978","0.0007","8.7356","0.0006","20.5972","0.0013","90","","104.732","0.001","90","","1983.4","0.2","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cl2 Mn N4 O -","- C17 H24 Cl2 Mn N4 O -","- C68 H96 Cl8 Mn4 N16 O4 -","4","1","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","x-ray","0.71073","MoKα","","0.0791","0.0543","","","0.1303","0.1417","","","","","","1.033","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015390","13.6928","0.0007","16.244","0.0008","18.004","0.0009","90","","90","","90","","4004.6","0.3","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cl2 Fe N4 -","- C18 H26 Cl2 Fe N4 -","- C144 H208 Cl16 Fe8 N32 -","8","1","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","x-ray","0.71073","MoKα","","0.0514","0.0448","","","0.1136","0.118","","","","","","1.067","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015391","28.4241","0.0012","8.5365","0.0004","19.0616","0.0009","90","","122.735","0.001","90","","3890.6","0.3","193","2","193","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Cl6 Mn3 N8 O2 -","- C28 H40 Cl6 Mn3 N8 O2 -","- C112 H160 Cl24 Mn12 N32 O8 -","4","0.5","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","x-ray","0.71073","MoKα","","0.0423","0.0352","","","0.0823","0.0848","","","","","","0.978","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015392","11.1902","0.0007","9.6445","0.0006","18.1053","0.0012","90","","104.75","0.001","90","","1889.6","0.2","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 Mn N4 -","- C16 H22 Cl2 Mn N4 -","- C64 H88 Cl8 Mn4 N16 -","4","1","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","x-ray","0.71073","MoKα","","0.0346","0.0298","","","0.0813","0.0848","","","","","","1.049","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015393","13.6436","0.0011","16.3086","0.0013","17.9521","0.0014","90","","90","","90","","3994.5","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cl2 Mn N4 -","- C18 H26 Cl2 Mn N4 -","- C144 H208 Cl16 Mn8 N32 -","8","1","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","","0.71073","MoKα","","0.0433","0.0361","","","0.1014","0.1071","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015394","12.0792","0.0009","9.6386","0.0007","15.2205","0.0011","90","","101.771","0.001","90","","1734.8","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 Mn N4 -","- C16 H18 Cl2 Mn N4 -","- C64 H72 Cl8 Mn4 N16 -","4","0.5","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","x-ray","0.71073","MoKα","","0.0517","0.044","","","0.1169","0.1211","","","","","","1.083","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015395","13.853","0.018","16.35","0.02","17.75","0.02","109.45","0.02","95.93","0.02","106.38","0.02","3550","8","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H166 Fe2 N24 O49 S2 -","- C108 H132 Fe2 N24 O49 S2 -","- C108 H132 Fe2 N24 O49 S2 -","1","0.5","","Wu, Biao; Yang, Jin; Huang, Xiaojuan; Li, Shaoguang; Jia, Chuandong; Yang, Xiao-Juan; Tang, Ning; Janiak, Christoph","Anion binding by metallo-receptors of 5,5'-dicarbamate-2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5687","5696","10.1039/c0dt01561j","","","0.71073","MoKα","","0.2526","0.1182","","","0.2773","0.345","","","","","","0.881","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015396","18.774","0.017","25.57","0.02","15.47","0.02","90","","117.83","0.03","90","","6567","12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H62 B2 F8 Fe N12 O14 -","- C50 H62 B2 F8 Fe N12 O14 -","- C200 H248 B8 F32 Fe4 N48 O56 -","4","0.5","","Wu, Biao; Yang, Jin; Huang, Xiaojuan; Li, Shaoguang; Jia, Chuandong; Yang, Xiao-Juan; Tang, Ning; Janiak, Christoph","Anion binding by metallo-receptors of 5,5'-dicarbamate-2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5687","5696","10.1039/c0dt01561j","","","0.71073","MoKα","","0.1416","0.0771","","","0.2107","0.2478","","","","","","1.004","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015397","18.4694","0.0016","19.7057","0.0017","23.748","0.002","90","","108.239","0.001","90","","8208.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 B2 F8 Fe N12 O16 -","- C64 H94 B2 F8 Fe N12 O16 -","- C256 H376 B8 F32 Fe4 N48 O64 -","4","1","","Wu, Biao; Yang, Jin; Huang, Xiaojuan; Li, Shaoguang; Jia, Chuandong; Yang, Xiao-Juan; Tang, Ning; Janiak, Christoph","Anion binding by metallo-receptors of 5,5'-dicarbamate-2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5687","5696","10.1039/c0dt01561j","","","0.71073","MoKα","","0.1114","0.074","","","0.2047","0.239","","","","","","1.036","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015398","13.422","0.004","14.32","0.004","14.365","0.004","73.397","0.004","77.928","0.004","80.2","0.004","2569.3","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H54 Cl4 N8 O11 S3 Zn2 -","- C38 H54 Cl4 N8 O11 S3 Zn2 -","- C76 H108 Cl8 N16 O22 S6 Zn4 -","2","1","","Wu, Biao; Yang, Jin; Huang, Xiaojuan; Li, Shaoguang; Jia, Chuandong; Yang, Xiao-Juan; Tang, Ning; Janiak, Christoph","Anion binding by metallo-receptors of 5,5'-dicarbamate-2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5687","5696","10.1039/c0dt01561j","","","0.71073","MoKα","","0.0776","0.0435","","","0.1006","0.1166","","","","","","1.015","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015399","13.499","0.002","13.499","0.002","18.54","0.003","90","","90","","120","","2925.8","0.8","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C48 H58 N14 O20 Zn -","- C48 H54 N14 O20.03 Zn -","- C96 H108 N28 O40.06 Zn2 -","2","0.166667","","Wu, Biao; Yang, Jin; Huang, Xiaojuan; Li, Shaoguang; Jia, Chuandong; Yang, Xiao-Juan; Tang, Ning; Janiak, Christoph","Anion binding by metallo-receptors of 5,5'-dicarbamate-2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5687","5696","10.1039/c0dt01561j","","","0.71073","MoKα","","0.1098","0.076","","","0.2226","0.2847","","","","","","1.078","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015400","16.8995","0.0014","17.5045","0.0015","17.6189","0.0015","62.561","0.001","63.352","0.001","79.811","0.002","4131.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H194 Cl4 N24 O51 Zn2 -","- C128 H188 Cl4 N24 O51 Zn2 -","- C128 H188 Cl4 N24 O51 Zn2 -","1","0.5","","Wu, Biao; Yang, Jin; Huang, Xiaojuan; Li, Shaoguang; Jia, Chuandong; Yang, Xiao-Juan; Tang, Ning; Janiak, Christoph","Anion binding by metallo-receptors of 5,5'-dicarbamate-2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5687","5696","10.1039/c0dt01561j","","","0.71073","MoKα","","0.1024","0.0722","","","0.2014","0.2279","","","","","","1.028","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015401","9.5168","0.0011","15.5544","0.0019","18.715","0.002","75.716","0.002","89.987","0.002","79.958","0.002","2640.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H54 Cl2 Cu N8 O19 S3 -","- C38 H54 Cl2 Cu N8 O19 S3 -","- C76 H108 Cl4 Cu2 N16 O38 S6 -","2","1","","Wu, Biao; Yang, Jin; Huang, Xiaojuan; Li, Shaoguang; Jia, Chuandong; Yang, Xiao-Juan; Tang, Ning; Janiak, Christoph","Anion binding by metallo-receptors of 5,5'-dicarbamate-2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5687","5696","10.1039/c0dt01561j","","","0.71073","MoKα","","0.0741","0.0528","","","0.1396","0.1562","","","","","","1.016","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015402","14.2607","0.0005","22.1231","0.0009","23.0014","0.0008","90","","90","","90","","7256.7","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H111 B2 F8 O2 P6 Rh3 -","- C62 H85 B2 F8 O2 P6 Rh3 -","- C248 H340 B8 F32 O8 P24 Rh12 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0899","0.0561","","","0.107","0.1134","","","","","","0.943","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015403","18.24","0.004","8.0358","0.0016","19.188","0.004","90","","109.06","0.03","90","","2658.3","1.1","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H44 B F4 P2 Rh -","- C24 H44 B F4 P2 Rh -","- C96 H176 B4 F16 P8 Rh4 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0376","0.0351","","","0.0957","0.0967","","","","","","0.976","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015404","11.2487","0.0002","20.2463","0.0002","28.4783","0.0004","90","","90","","90","","6485.78","0.16","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H107 B2 F8 O P6 Rh3 -","- C49 H103 B2 F8 O P6 Rh3 -","- C196 H412 B8 F32 O4 P24 Rh12 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0438","0.0354","","","0.0818","0.0836","","","","","","0.943","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015405","11.345","0.0002","20.2993","0.0002","28.8798","0.0004","90","","90","","90","","6650.89","0.16","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H107 B2 Cl4 F8 P6 Rh3 -","- C50 H107 B2 Cl4 F8 P6 Rh3 -","- C200 H428 B8 Cl16 F32 P24 Rh12 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0399","0.0311","","","0.0669","0.0683","","","","","","0.901","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015406","11.3053","0.0002","20.298","0.0002","28.906","0.0004","90","","90","","90","","6633.2","0.16","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51.5 H107 B2 F8 P6 Rh3 -","- C51.5 H103 B2 F8 P6 Rh3 -","- C206 H412 B8 F32 P24 Rh12 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.043","0.0369","","","0.1017","0.1041","","","","","","0.96","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015407","11.215","0.002","12.336","0.003","21.365","0.004","90","","100.37","0.03","90","","2907.5","1.1","200","2","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37.5 H95 B2 F8 O0.5 P6 Rh3 -","- C37.5 H74.76 B2 F8 O0.5 P6 Rh3 -","- C75 H149.52 B4 F16 O P12 Rh6 -","2","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0646","0.0473","","","0.1014","0.1054","","","","","","0.903","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015408","18.684","0.002","7.6055","0.0006","17.408","0.002","90","","92.781","0.009","90","","2470.8","0.4","200","2","200","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H40 B F4 P2 Rh -","- C20 H40 B F4 P2 Rh -","- C80 H160 B4 F16 P8 Rh4 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0658","0.0491","","","0.1108","0.1151","","","","","","1.082","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015409","9.7263","0.0019","14.776","0.003","10.458","0.002","90","","107.72","0.03","90","","1431.7","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H48 B F4 O P2 Rh -","- C27 H48 B F4 O P2 Rh -","- C54 H96 B2 F8 O2 P4 Rh2 -","2","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0187","0.0184","","","0.05","0.0501","","","","","","1.034","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015410","14.7389","0.0014","13.0377","0.0011","26.415","0.002","90","","95.055","0.004","90","","5056.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Li[MesitylBai]","","","- C27 H28 B Li N6 -","- C27 H28 B Li N6 -","- C216 H224 B8 Li8 N48 -","8","1","","Owen, Gareth R.; Tsoureas, Nikolaos; Hope, Rebecca F.; Kuo, Yu-Ying; Haddow, Mairi F.","Synthesis and characterisation of group nine transition metal complexes containing new mesityl and naphthyl based azaindole scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5906","5915","10.1039/c0dt01576h","","","0.71073","MoKα","","0.0518","0.0401","","","0.0985","0.1059","","","","","","1.039","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015411","13.7576","0.0005","8.1623","0.0003","23.2888","0.0008","90","","102.637","0.002","90","","2551.83","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Li[NapthylBai]","","","- C28 H24 B Li N6 -","- C28 H24 B Li N6 -","- C112 H96 B4 Li4 N24 -","4","1","","Owen, Gareth R.; Tsoureas, Nikolaos; Hope, Rebecca F.; Kuo, Yu-Ying; Haddow, Mairi F.","Synthesis and characterisation of group nine transition metal complexes containing new mesityl and naphthyl based azaindole scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5906","5915","10.1039/c0dt01576h","","","0.71073","MoKα","","0.054","0.0412","","","0.1036","0.1115","","","","","","1.049","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015412","11.102","0.002","16.512","0.003","16.633","0.002","113.679","0.011","102.604","0.015","97.984","0.012","2636.1","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex_4","","","- C31 H34 B N4 Rh -","- C31 H34 B N4 Rh -","- C124 H136 B4 N16 Rh4 -","4","2","","Owen, Gareth R.; Tsoureas, Nikolaos; Hope, Rebecca F.; Kuo, Yu-Ying; Haddow, Mairi F.","Synthesis and characterisation of group nine transition metal complexes containing new mesityl and naphthyl based azaindole scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5906","5915","10.1039/c0dt01576h","","","0.71073","MoKα","","0.0447","0.0306","","","0.0634","0.0692","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015413","10.7485","0.0005","13.7294","0.0006","19.2199","0.0008","93.257","0.002","90.316","0.002","100.612","0.002","2782.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex_6","","","- C65 H75 B2 Ir2 N8 -","- C65 H75 B2 Ir2 N8 -","- C130 H150 B4 Ir4 N16 -","2","1","","Owen, Gareth R.; Tsoureas, Nikolaos; Hope, Rebecca F.; Kuo, Yu-Ying; Haddow, Mairi F.","Synthesis and characterisation of group nine transition metal complexes containing new mesityl and naphthyl based azaindole scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5906","5915","10.1039/c0dt01576h","","","0.71073","MoKα","","0.0249","0.02","","","0.0441","0.0458","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015414","9.1069","0.0003","19.9356","0.0008","21.0333","0.0008","98.628","0.002","92.235","0.002","101.699","0.002","3687.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex_9","","","- C31 H26 B N4 Rh -","- C31 H26 B N4 Rh -","- C186 H156 B6 N24 Rh6 -","6","3","","Owen, Gareth R.; Tsoureas, Nikolaos; Hope, Rebecca F.; Kuo, Yu-Ying; Haddow, Mairi F.","Synthesis and characterisation of group nine transition metal complexes containing new mesityl and naphthyl based azaindole scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5906","5915","10.1039/c0dt01576h","","","0.71073","MoKα","","0.0604","0.0457","","","0.0838","0.088","","","","","","1.154","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015415","14.622","0.005","8.457","0.005","22.219","0.005","90","0.005","96.106","0.005","90","0.005","2732","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","salmnt(Et2N)2).DCM","","- C27 H32 Cl2 N6 O2 -","- C27 H32 Cl2 N6 O2 -","- C108 H128 Cl8 N24 O8 -","4","1","","Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.","Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5939","5952","10.1039/c0dt01580f","","","0.71073","MoKα","","0.184","0.0822","","","0.191","0.242","","","","","","0.878","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015416","13.599","0.005","11.889","0.005","20.758","0.005","90","0.005","107.496","0.005","90","0.005","3200.9","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[UO2(salmnt(Et2N)2)(H2O)].(CH3CH2)2O","","- C30 H40 N6 O6 U -","- C30 H38 N6 O6 U -","- C120 H152 N24 O24 U4 -","4","1","","Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.","Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5939","5952","10.1039/c0dt01580f","","","0.71073","MoKα","","0.0543","0.0362","","","0.0767","0.0823","","","","","","1.062","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015417","11.524","0.005","27.818","0.005","19.211","0.005","90","0.005","91.028","0.005","90","0.005","6158","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[UO2(salmnt(Et2N)2)(py)]","","- C31 H33 N7 O4 U -","- C31 H33 N7 O4 U -","- C248 H264 N56 O32 U8 -","8","2","","Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.","Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5939","5952","10.1039/c0dt01580f","","","0.71073","MoKα","","0.0748","0.0476","","","0.0882","0.0966","","","","","","1.035","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015418","10.002","0.005","13.122","0.005","13.456","0.005","111.483","0.005","91.195","0.005","105.695","0.005","1567.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[UO2(salmnt(Et2N)2)(py)]","","- C31 H33 N7 O4 U -","- C31 H33 N7 O4 U -","- C62 H66 N14 O8 U2 -","2","1","","Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.","Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5939","5952","10.1039/c0dt01580f","","","0.71073","MoKα","","0.0686","0.0586","","","0.1443","0.1492","","","","","","1.028","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015419","11.491","0.005","11.801","0.005","12.408","0.005","63.464","0.005","75.586","0.005","85.808","0.005","1456.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[UO2(salmnt(Et2N)2)(DMSO)]","","- C28 H34 N6 O5 S U -","- C28 H34 N6 O5 S U -","- C56 H68 N12 O10 S2 U2 -","2","1","","Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.","Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5939","5952","10.1039/c0dt01580f","","","0.71073","MoKα","","0.0561","0.0456","","","0.0959","0.1003","","","","","","0.966","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015420","12.364","0.005","22.05","0.005","11.064","0.005","90","0.005","99.161","0.005","90","0.005","2977.9","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[UO2(salmnt(Et2N)2)(DMF)]","","- C29 H35 N7 O5 U -","- C29 H35 N7 O5 U -","- C116 H140 N28 O20 U4 -","4","1","","Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.","Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5939","5952","10.1039/c0dt01580f","","","0.71073","MoKα","","0.1207","0.0722","","","0.1218","0.1368","","","","","","1.052","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015421","11.164","0.005","14.139","0.005","14.165","0.005","107.335","0.005","105.515","0.005","90.276","0.005","2047.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[UO2(salmnt(Et2N)2)(TPPO)].H2O","","- C44 H45 N6 O6 P U -","- C44 H43 N6 O6 P U -","- C88 H86 N12 O12 P2 U2 -","2","1","","Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.","Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5939","5952","10.1039/c0dt01580f","","","0.71073","MoKα","","0.0303","0.0263","","","0.0634","0.065","","","","","","1.02","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015422","17.3821","0.0014","9.6222","0.0008","14.6513","0.0012","90","","113.858","0.001","90","","2241.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[UO2(salophen)(py)]","","- C25 H19 N3 O4 U -","- C25 H19 N3 O4 U -","- C100 H76 N12 O16 U4 -","4","1","","Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.","Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5939","5952","10.1039/c0dt01580f","","","0.71073","MoKα","","0.0344","0.0287","","","0.0608","0.0629","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015423","8.554","0.005","15.309","0.005","17.738","0.005","97.947","0.005","92.478","0.005","106.066","0.005","2202.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[UO2(salen)(TPPO)].TPPO","","- C52 H44 N2 O6 P2 U -","- C52 H44 N2 O6 P2 U -","- C104 H88 N4 O12 P4 U2 -","2","1","","Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.","Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5939","5952","10.1039/c0dt01580f","","","0.71073","MoKα","","0.0568","0.0392","","","0.0844","0.1119","","","","","","0.924","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015424","10.1145","0.0005","12.3815","0.0006","13.7981","0.0006","100.475","0.001","107.983","0.001","109.231","0.001","1472.5","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 N4 Ni O11 Zn2 -","- C28 H24 N4 Ni O11 Zn2 -","- C56 H48 N8 Ni2 O22 Zn4 -","2","1","","Sun, Ya-Qiu; Gao, Dong-Zhao; Xu, Yan-Yan; Zhang, Guo-Ying; Fan, Lan-Lan; Li, Cheng-Peng; Hu, Tong-Liang; Liao, Dai-Zheng; Zhang, Chen-Xi","Coordination polymers of macrocyclic oxamide with 1,3,5-benzenetricarboxylate: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5528","5537","10.1039/c0dt01584a","","","0.71073","MoKα","","0.0437","0.0298","","","0.0723","0.0794","","","","","","1.009","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015425","10.021","0.003","13.739","0.004","18.812","0.005","90","","91.981","0.004","90","","2588.5","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H22 Cd Cu N4 O8.5 -","- C28.5 H20.5 Cd Cu N4 O8.5 -","- C114 H82 Cd4 Cu4 N16 O34 -","4","1","","Sun, Ya-Qiu; Gao, Dong-Zhao; Xu, Yan-Yan; Zhang, Guo-Ying; Fan, Lan-Lan; Li, Cheng-Peng; Hu, Tong-Liang; Liao, Dai-Zheng; Zhang, Chen-Xi","Coordination polymers of macrocyclic oxamide with 1,3,5-benzenetricarboxylate: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5528","5537","10.1039/c0dt01584a","","","0.71073","MoKα","","0.0505","0.0289","","","0.0623","0.0702","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015426","9.7772","0.0006","12.0096","0.0007","14.0441","0.0009","88.669","0.001","82.844","0.001","71.658","0.001","1552.87","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 N4 Ni2.5 O13 -","- C29 H31 N4 Ni2.5 O13 -","- C58 H62 N8 Ni5 O26 -","2","1","","Sun, Ya-Qiu; Gao, Dong-Zhao; Xu, Yan-Yan; Zhang, Guo-Ying; Fan, Lan-Lan; Li, Cheng-Peng; Hu, Tong-Liang; Liao, Dai-Zheng; Zhang, Chen-Xi","Coordination polymers of macrocyclic oxamide with 1,3,5-benzenetricarboxylate: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5528","5537","10.1039/c0dt01584a","","","0.71073","MoKα","","0.0452","0.0335","","","0.0758","0.0819","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015427","18.42","0.0007","14.3984","0.0006","18.8098","0.0008","90","","97.43","0.001","90","","4946.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C103 H82 Cd4 N16 Ni4 O30 -","- C103 H76 Cd4 N16 Ni4 O30 -","- C206 H152 Cd8 N32 Ni8 O60 -","2","1","","Sun, Ya-Qiu; Gao, Dong-Zhao; Xu, Yan-Yan; Zhang, Guo-Ying; Fan, Lan-Lan; Li, Cheng-Peng; Hu, Tong-Liang; Liao, Dai-Zheng; Zhang, Chen-Xi","Coordination polymers of macrocyclic oxamide with 1,3,5-benzenetricarboxylate: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5528","5537","10.1039/c0dt01584a","","","0.71073","MoKα","","0.0354","0.031","","","0.0794","0.0832","","","","","","1.044","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015428","10.149","0.007","12.422","0.009","13.888","0.01","100.96","0.013","108.179","0.012","109.137","0.012","1485.8","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Co2 N4 Ni O11 -","- C28 H24 Co2 N4 Ni O11 -","- C56 H48 Co4 N8 Ni2 O22 -","2","1","","Sun, Ya-Qiu; Gao, Dong-Zhao; Xu, Yan-Yan; Zhang, Guo-Ying; Fan, Lan-Lan; Li, Cheng-Peng; Hu, Tong-Liang; Liao, Dai-Zheng; Zhang, Chen-Xi","Coordination polymers of macrocyclic oxamide with 1,3,5-benzenetricarboxylate: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5528","5537","10.1039/c0dt01584a","","","0.71073","MoKα","","0.1116","0.0719","","","0.1831","0.208","","","","","","0.98","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015429","10.1376","0.0006","12.3611","0.0008","13.8352","0.0008","100.522","0.001","107.486","0.001","109.188","0.001","1483.6","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cu N4 O11 Zn2 -","- C28 H24 Cu N4 O11 Zn2 -","- C56 H48 Cu2 N8 O22 Zn4 -","2","1","","Sun, Ya-Qiu; Gao, Dong-Zhao; Xu, Yan-Yan; Zhang, Guo-Ying; Fan, Lan-Lan; Li, Cheng-Peng; Hu, Tong-Liang; Liao, Dai-Zheng; Zhang, Chen-Xi","Coordination polymers of macrocyclic oxamide with 1,3,5-benzenetricarboxylate: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5528","5537","10.1039/c0dt01584a","","","0.71073","MoKα","","0.0358","0.0267","","","0.066","0.0704","","","","","","1.039","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015430","8.4851","0.0011","21.865","0.003","20.453","0.003","90","","98.113","0.002","90","","3756.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 N4 Ni2 O7 -","- C38 H46 N4 Ni2 O7 -","- C152 H184 N16 Ni8 O28 -","4","1","","Biswas, Rituparna; Kar, Paramita; Song, You; Ghosh, Ashutosh","The importance of an additional water bridge in making the exchange coupling of bis(μ-phenoxo) dinickel(ii)complexes ferromagnetic.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5324","5331","10.1039/c0dt01585g","","","0.71073","MoKα","","0.0551","0.0352","","","0.0818","0.092","","","","","","0.961","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015431","10.351","0.003","18.545","0.005","22.502","0.006","68.265","0.007","87.141","0.008","83.82","0.007","3988.8","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 N4 Ni2 O7 -","- C40 H50 N4 Ni2 O7 -","- C160 H200 N16 Ni8 O28 -","4","2","","Biswas, Rituparna; Kar, Paramita; Song, You; Ghosh, Ashutosh","The importance of an additional water bridge in making the exchange coupling of bis(μ-phenoxo) dinickel(ii)complexes ferromagnetic.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5324","5331","10.1039/c0dt01585g","","","0.71073","MoKα","","0.086","0.0596","","","0.1972","0.2177","","","","","","1.032","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015432","37.535","0.0017","13.922","0.0013","23.724","0.002","90","","94.691","0.003","90","","12355.7","1.7","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H92 Cl Mn13 N8 O52 -","- C70 H92 Cl Mn13 N8 O52 -","- C280 H368 Cl4 Mn52 N32 O208 -","4","0.5","","Wang, Hui-Sheng; Zhang, Zai-Chao; Song, Xiao-Jiao; Zhang, Jing-Wei; Zhou, Hong-Bo; Wang, Jun; Song, You; You, Xiao-Zeng","New high-nuclearity manganese clusters containing mixed chelating ligands: syntheses, crystal structures and magnetochemical characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2703","2706","10.1039/c0dt01588a","","","0.71073","MoKα","","0.0626","0.0456","","","0.1016","0.1059","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015433","14.696","0.002","17.331","0.003","19.609","0.002","115.833","0.002","98.426","0.003","93.478","0.002","4403","1.1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C170 H142 Mn16 N16 O54 -","- C170 H142 Mn16 N16 O54 -","- C170 H142 Mn16 N16 O54 -","1","0.5","","Wang, Hui-Sheng; Zhang, Zai-Chao; Song, Xiao-Jiao; Zhang, Jing-Wei; Zhou, Hong-Bo; Wang, Jun; Song, You; You, Xiao-Zeng","New high-nuclearity manganese clusters containing mixed chelating ligands: syntheses, crystal structures and magnetochemical characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2703","2706","10.1039/c0dt01588a","","","0.71073","MoKα","","0.0931","0.0604","","","0.1437","0.1532","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015434","16.739","0.002","10.4668","0.0011","29.254","0.003","90","","99.362","0.002","90","","5057.1","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 N4 O9 Zn2 -","- C50 H66 N4 O9 Zn2 -","- C200 H264 N16 O36 Zn8 -","4","1","","Peng, Xiaohong; Tang, Xiaoliang; Qin, Wenwu; Dou, Wei; Guo, Yanling; Zheng, Jiangrong; Liu, Weisheng; Wang, Daqi","Aroylhydrazone derivative as fluorescent sensor for highly selective recognition of Zn(2+) ions: syntheses, characterization, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5271","5277","10.1039/c0dt01590c","","","0.71073","MoKα","","0.0844","0.0458","","","0.1024","0.1214","","","","","","1.027","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015435","7.7586","0.0006","11.1224","0.0015","17.327","0.002","96.667","0.002","102.141","0.003","95.722","0.002","1440","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C52 H76 N4 O10 Zn2 -","- C52 H76 N4 O10 Zn2 -","- C52 H76 N4 O10 Zn2 -","1","1","","Peng, Xiaohong; Tang, Xiaoliang; Qin, Wenwu; Dou, Wei; Guo, Yanling; Zheng, Jiangrong; Liu, Weisheng; Wang, Daqi","Aroylhydrazone derivative as fluorescent sensor for highly selective recognition of Zn(2+) ions: syntheses, characterization, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5271","5277","10.1039/c0dt01590c","","","0.71073","MoKα","","0.1339","0.0762","","","0.1732","0.2072","","","","","","1.005","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015436","16.175","0.002","16.175","0.002","41.56","0.003","90","","90","","90","","10873","2","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C102 H140 Co3 N12 O14 -","- C102 H140 Co3 N12 O14 -","- C408 H560 Co12 N48 O56 -","4","0.5","","Peng, Xiaohong; Tang, Xiaoliang; Qin, Wenwu; Dou, Wei; Guo, Yanling; Zheng, Jiangrong; Liu, Weisheng; Wang, Daqi","Aroylhydrazone derivative as fluorescent sensor for highly selective recognition of Zn(2+) ions: syntheses, characterization, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5271","5277","10.1039/c0dt01590c","","","0.71073","MoKα","","0.1197","0.0785","","","0.1913","0.2132","","","","","","0.979","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015437","6.852","0.0008","9.511","0.001","19.477","0.002","99.223","0.002","93.968","0.002","105.547","0.003","1198.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 Cu N2 O5 -","- C23 H32 Cu N2 O5 -","- C46 H64 Cu2 N4 O10 -","2","1","","Peng, Xiaohong; Tang, Xiaoliang; Qin, Wenwu; Dou, Wei; Guo, Yanling; Zheng, Jiangrong; Liu, Weisheng; Wang, Daqi","Aroylhydrazone derivative as fluorescent sensor for highly selective recognition of Zn(2+) ions: syntheses, characterization, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5271","5277","10.1039/c0dt01590c","","","0.71073","MoKα","","0.0827","0.0596","","","0.145","0.1606","","","","","","0.981","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015438","11.801","0.011","13.61","0.012","14.805","0.013","88.618","0.013","86.079","0.012","88.823","0.012","2371","4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H62 Cl Fe N4 O6 -","- C46 H62 Cl Fe N4 O6 -","- C92 H124 Cl2 Fe2 N8 O12 -","2","1","","Peng, Xiaohong; Tang, Xiaoliang; Qin, Wenwu; Dou, Wei; Guo, Yanling; Zheng, Jiangrong; Liu, Weisheng; Wang, Daqi","Aroylhydrazone derivative as fluorescent sensor for highly selective recognition of Zn(2+) ions: syntheses, characterization, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5271","5277","10.1039/c0dt01590c","","","0.71073","MoKα","","0.0959","0.0483","","","0.0914","0.1035","","","","","","1.007","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015439","15.967","0.003","12.373","0.002","15.562","0.003","90","","113.475","0.004","90","","2820","0.9","116","2","116","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Ir N4 O4 -","- C31 H31 Ir N4 O4 -","- C124 H124 Ir4 N16 O16 -","4","1","","Lian, Ping; Wei, Huibo; Zheng, Chen; Nie, Yifan; Bian, Jiang; Bian, Zuqiang; Huang, Chunhui","Synthesis, characteristics and photoluminescent properties of novel Ir-Eu heteronuclear complexes containing 2-carboxyl-pyrimidine as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5476","5482","10.1039/c0dt01592j","","","0.71073","MoKα","","0.0251","0.022","","","0.0527","0.0536","","","","","","1.112","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015440","15.839","0.003","12.784","0.003","15.651","0.003","90","","104.72","0.03","90","","3065.1","1.2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 F4 Ir N4 O2 -","- C27 H15 F4 Ir N4 O2 -","- C108 H60 F16 Ir4 N16 O8 -","4","1","","Lian, Ping; Wei, Huibo; Zheng, Chen; Nie, Yifan; Bian, Jiang; Bian, Zuqiang; Huang, Chunhui","Synthesis, characteristics and photoluminescent properties of novel Ir-Eu heteronuclear complexes containing 2-carboxyl-pyrimidine as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5476","5482","10.1039/c0dt01592j","","","0.71073","MoKα","","0.0478","0.042","","","0.1056","0.1086","","","","","","1.088","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015441","19.9693","0.0006","14.206","0.0004","22.7462","0.0007","90","","90","","90","","6452.7","0.3","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H80 Fe6 N6 O24 S2 -","- C50 H80 Fe6 N6 O24 S2 -","- C200 H320 Fe24 N24 O96 S8 -","4","0.5","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.0485","0.0323","","0.0732","0.0579","0.0732","","","","","","1.0215","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015442","16.2363","0.0005","17.6493","0.0006","18.6823","0.0006","108.435","0.002","98.275","0.002","105.15","0.002","4749.9","0.3","150","","150","","","","","","","","Ian gass","5","P -1","-P 1","2","","","","- C73 H103 Fe8 N7 O31 -","- C69 H87 Fe8 N7 O27 -","- C138 H174 Fe16 N14 O54 -","2","1","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.1049","0.05","","0.16","0.1088","0.16","","","","","","0.6171","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015443","42.1099","0.0011","42.1099","0.0011","13.8971","0.0004","90","","90","","120","","21341.4","1","150","2","150","2","","","","","","","Kevin Mason","6","R -3 :H","-R 3","148","","","","- C81 H98 Br4 Fe8 N10 O21 -","- C72 H74 Br4 Fe8 N10 O18 -","- C648 H666 Br36 Fe72 N90 O162 -","9","0.5","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.089","0.0466","","","0.1083","0.1181","","","","","","0.929","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015444","11.9923","0.0004","28.004","0.001","13.3217","0.0005","90","","114.382","0.002","90","","4074.8","0.3","150","2","150","2","","","","","","","Kevin Mason","5","P 1 21/c 1","-P 2ybc","14","","","","- C71.7 H73.1 Fe8 N22.9 O17.7 -","- C71.7 H73.1 Fe8 N22.9 O17.7 -","- C143.4 H146.2 Fe16 N45.8 O35.4 -","2","0.5","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.0586","0.0424","","","0.0941","0.1012","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015445","13.5512","0.0019","29.198","0.004","21.05","0.003","90","","101.368","0.006","90","","8165","2","100","2","100","2","","","","","","","Brian Tung","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H80 Cl2 Fe6 N8 O29 -","- C69 H80 Cl2 Fe6 N8 O29 -","- C276 H320 Cl8 Fe24 N32 O116 -","4","1","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.1177","0.0701","","","0.1772","0.2073","","","","","","1.111","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015446","16.1705","0.0004","27.5304","0.0007","29.7123","0.0008","114.542","0.001","90.873","0.001","93.459","0.001","11998.6","0.5","100","2","100","2","","","","","","","Brian Tung","6","P -1","-P 1","2","","","","- C60.83 H60.83 Cl2 Fe6 N8.17 O28 -","- C58 H52 Cl2 Fe6 N8 O26 -","- C348 H312 Cl12 Fe36 N48 O156 -","6","3","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.0797","0.0508","","","0.1203","0.1284","","","","","","1.002","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015447","20.4582","0.0004","14.4149","0.0003","22.6752","0.0004","90","","90","","90","","6687","0.2","150","2","150","2","","","","","","","I.Gass Reaction IAG1591","6","P b c a","-P 2ac 2ab","61","","","","- C54 H88 Fe6 N6 O24 S2 -","- C54 H88 Fe6 N6 O24 S2 -","- C216 H352 Fe24 N24 O96 S8 -","4","0.5","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.0881","0.0826","","","0.1526","0.1547","","","","","","1.362","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015448","6.2434","0.0014","6.2434","0.0014","6.2434","0.0014","90","","90","","90","","243.37","0.09","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 I3 N Sn -","- I3 Sn -","- I3 Sn -","1","0.0208333","","Takahashi, Yukari; Obara, Rena; Lin, Zheng-Zhong; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu; Ishibashi, Shoji; Terakura, Kiyoyuki","Charge-transport in tin-iodide perovskite CH(3)NH(3)SnI(3): origin of high conductivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5563","5568","10.1039/c0dt01601b","","","0.71075","MoKα","","","0.07","","","","0.252","","","","","","1.236","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015449","8.7271","0.0008","8.7271","0.0008","12.5022","0.0015","90","","90","","90","","952.2","0.17","140.1","","140","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C H6 I3 N Sn -","- I3 Sn -","- I12 Sn4 -","4","0.125","","Takahashi, Yukari; Obara, Rena; Lin, Zheng-Zhong; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu; Ishibashi, Shoji; Terakura, Kiyoyuki","Charge-transport in tin-iodide perovskite CH(3)NH(3)SnI(3): origin of high conductivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5563","5568","10.1039/c0dt01601b","","","0.71075","MoKα","","","0.0573","","","","0.2681","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015450","24.539","0.003","9.8002","0.001","17.1991","0.0017","90","","90.768","0.002","90","","4135.8","0.8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H36 Cl4 O P2 S2 -","- C43 H36 Cl4 O P2 S2 -","- C172 H144 Cl16 O4 P8 S8 -","4","0.5","","Jarvis, Amanda G.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Cu(I) complexes containing a multidentate and conformationally flexible dibenzylidene acetone ligand (dbathiophos): application in catalytic alkene cyclopropanation.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3695","3702","10.1039/c0dt01612h","","","0.71073","MoKα","","0.0679","0.0569","","","0.1612","0.1732","","","","","","1.044","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015451","12.0204","0.0007","14.5437","0.0009","15.1233","0.0009","71.942","0.001","71.271","0.001","66.585","0.001","2246.5","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C88.76 H80.42 Cl2.82 Cu4 F12 O3.59 P6 S4 -","- C88.7624 H80.412 Cl2.824 Cu4 F12 O3.5872 P6 S4 -","- C88.7624 H80.412 Cl2.824 Cu4 F12 O3.5872 P6 S4 -","1","0.5","","Jarvis, Amanda G.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Cu(I) complexes containing a multidentate and conformationally flexible dibenzylidene acetone ligand (dbathiophos): application in catalytic alkene cyclopropanation.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3695","3702","10.1039/c0dt01612h","","","0.71073","MoKα","","0.0614","0.0452","","","0.1207","0.1305","","","","","","1.045","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015452","25.838","0.003","25.365","0.003","14.722","0.0015","90","","97.563","0.002","90","","9564.6","1.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H64 Cu2 F12 O4 P6 S4 -","- C82 H64 Cu2 F12 O4 P6 S4 -","- C328 H256 Cu8 F48 O16 P24 S16 -","4","1","","Jarvis, Amanda G.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Cu(I) complexes containing a multidentate and conformationally flexible dibenzylidene acetone ligand (dbathiophos): application in catalytic alkene cyclopropanation.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3695","3702","10.1039/c0dt01612h","","","0.71073","MoKα","","0.1422","0.0828","","","0.1993","0.2117","","","","","","1.143","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015453","29.431","0.003","8.9496","0.001","16.2751","0.0018","90","","115.307","0.002","90","","3875.4","0.7","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 Cl2 Cu2 O P2 S2 -","- C41 H32 Cl2 Cu2 O P2 S2 -","- C164 H128 Cl8 Cu8 O4 P8 S8 -","4","0.5","","Jarvis, Amanda G.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Cu(I) complexes containing a multidentate and conformationally flexible dibenzylidene acetone ligand (dbathiophos): application in catalytic alkene cyclopropanation.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3695","3702","10.1039/c0dt01612h","","","0.71073","MoKα","","0.088","0.0423","","","0.0954","0.1134","","","","","","1.016","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015454","13.0697","0.0004","7.0217","0.0002","20.4319","0.0008","90","","98.02","0.004","90","","1856.73","0.11","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H24 Fe I2 N2 -","- C14 H24 Fe I2 N2 -","- C56 H96 Fe4 I8 N8 -","4","0.5","","Child, Chloe R.; Kealey, Steven; Jones, Harriet; Miller, Philip W.; White, Andrew J. P.; Gee, Anthony D.; Long, Nicholas J.","Binding and photodissociation of CO in iron(ii) complexes for application in positron emission tomography (PET) radiolabelling.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6210","6215","10.1039/c0dt01614d","","","1.54184","CuKα","","0.0672","0.0623","","","0.1536","0.1584","","","","","","1.094","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015455","8.2186","0.0016","18.37","0.004","21.523","0.004","90","","94.39","0.03","90","","3239.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl2 Cu N5 O10 -","- C31 H31 Cl2 Cu N5 O8 -","- C124 H124 Cl8 Cu4 N20 O32 -","4","1","","Chen, Qiu-Yun; Fu, Hai-Jian; Zhu, Wei-Hua; Qi, Yan; Ma, Zheng-Ping; Zhao, Kai-Di; Gao, Jing","Interaction with DNA and different effect on the nucleus of cancer cells for copper(II) complexes of N-benzyl di(pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4414","4420","10.1039/c0dt01616k","","","0.71073","MoKα","","0.1055","0.0876","","","0.2406","0.2572","","","","","","1.133","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015456","8.6111","0.0017","21.793","0.004","19.306","0.004","90","","96.29","0.03","90","","3601.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 Cl4 Cu2 N10 O19 -","- C62 H60 Cl4 Cu2 N10 O19 -","- C124 H120 Cl8 Cu4 N20 O38 -","2","0.5","","Chen, Qiu-Yun; Fu, Hai-Jian; Zhu, Wei-Hua; Qi, Yan; Ma, Zheng-Ping; Zhao, Kai-Di; Gao, Jing","Interaction with DNA and different effect on the nucleus of cancer cells for copper(II) complexes of N-benzyl di(pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4414","4420","10.1039/c0dt01616k","","","0.71073","MoKα","","0.0932","0.0782","","","0.233","0.25","","","","","","1.063","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015457","12.119","0.0006","17.016","0.0009","18.434","0.0009","90","","95.437","0.002","90","","3784.3","0.3","173.1","","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 N6 O4 -","- C46 H44 N6 O4 -","- C184 H176 N24 O16 -","4","0.5","","Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi","Methoxy-substituted isoTQEN family for enhanced fluorescence response toward zinc ion.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4059","4066","10.1039/c0dt01617a","","","0.7107","MoKα","","","0.0412","","","","0.1112","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015458","7.719","0.003","10.624","0.004","12.707","0.004","94.471","0.005","92.306","0.005","97.157","0.005","1029.5","0.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N6 O6 -","- C46 H44 N6 O6 -","- C46 H44 N6 O6 -","1","0.5","","Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi","Methoxy-substituted isoTQEN family for enhanced fluorescence response toward zinc ion.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4059","4066","10.1039/c0dt01617a","","","0.7107","MoKα","","","0.0541","","","","0.1643","","","","","","1.077","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015459","11.126","0.003","14.949","0.004","18.944","0.005","67.746","0.007","89.809","0.01","82.927","0.009","2890.7","1.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H47 Cl11 N6 O12 Zn -","- C49 H47 Cl11 N6 O12 Zn -","- C98 H94 Cl22 N12 O24 Zn2 -","2","1","","Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi","Methoxy-substituted isoTQEN family for enhanced fluorescence response toward zinc ion.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4059","4066","10.1039/c0dt01617a","","","0.7107","MoKα","","0.0627","0.0499","","","0.1204","0.1322","","","","","","1.117","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015460","19.06","0.004","17.898","0.004","13.932","0.003","90","","111.66","0.03","90","","4417.1","1.9","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 N2 O4 Zn -","- C20 H11 N2 O4 Zn -","- C160 H88 N16 O32 Zn8 -","8","1","","Modrow, Antje; Zargarani, Dordaneh; Herges, Rainer; Stock, Norbert","The first porous MOF with photoswitchable linker molecules.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4217","4222","10.1039/c0dt01629b","","","0.71073","MoKα","","0.0545","0.0418","","","0.1202","0.1288","","","","","","0.967","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015461","10.6908","0.001","10.7644","0.001","14.4174","0.0014","91.27","0.002","102.251","0.002","106.937","0.002","1544.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 Br4 Cu N2 -","- C28 H40 Br4 Cu N2 -","- C56 H80 Br8 Cu2 N4 -","2","1","","Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S.","Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3074","3076","10.1039/c0dt01630f","","","0.71073","MoKα","","0.0588","0.0368","","","0.084","0.091","","","","","","1.007","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015462","19.4962","0.0009","19.3988","0.0009","15.5513","0.0007","90","","91.827","0.001","90","","5878.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Br3 Cu N2 -","- C28 H40 Br3 Cu N2 -","- C224 H320 Br24 Cu8 N16 -","8","2","","Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S.","Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3074","3076","10.1039/c0dt01630f","","","0.71073","MoKα","","0.0651","0.0338","","","0.0631","0.0717","","","","","","1.001","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015463","8.48","0.003","12.416","0.004","12.623","0.004","83.44","0.007","73.973","0.006","71.022","0.006","1207.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 Cu N2 O4 -","- C25 H30 Cu N2 O4 -","- C50 H60 Cu2 N4 O8 -","2","1","","Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S.","Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3074","3076","10.1039/c0dt01630f","","","0.71073","MoKα","","0.1008","0.081","","","0.2021","0.213","","","","","","1.007","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015464","23.7798","0.0011","8.8383","0.0004","16.8227","0.0014","90","","134.886","0.001","90","","2505.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H34 Cu N2 O4 -","- C26 H34 Cu N2 O4 -","- C104 H136 Cu4 N8 O16 -","4","1","","Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S.","Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3074","3076","10.1039/c0dt01630f","","","0.71073","MoKα","","0.0963","0.0757","","","0.1762","0.1994","","","","","","1.018","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015465","10.9457","0.0012","21.357","0.002","15.7609","0.0017","90","","95.597","0.002","90","","3666.8","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Br2 Cl6 N2 -","- C30 H42 Br2 Cl6 N2 -","- C120 H168 Br8 Cl24 N8 -","4","1","","Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S.","Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","3074","3076","10.1039/c0dt01630f","","","0.71073","MoKα","","0.1278","0.0574","","","0.1252","0.1398","","","","","","0.871","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015466","20.084","0.002","19.082","0.002","28.57","0.003","90","","98.94","0.01","90","","10816","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H150 O26 Rh2 Si16 -","- C72 H150 O26 Rh2 Si16 -","- C288 H600 O104 Rh8 Si64 -","4","0.5","","Marciniec, Bogdan; Kownacki, Ireneusz; Franczyk, Adrian; Kubicki, Maciej","Silsesquioxyl rhodium(I) complexes‒synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5073","5077","10.1039/c0dt01631d","","","0.71073","MoKα","","0.1098","0.0683","","","0.1946","0.2041","","","","","","1.181","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015467","10.9023","0.0012","14.8954","0.0018","21.769","0.003","99.731","0.012","98.469","0.009","104.467","0.01","3306.6","0.8","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H108 O13 P Rh Si8 -","- C54 H108 O13 P Rh Si8 -","- C108 H216 O26 P2 Rh2 Si16 -","2","1","","Marciniec, Bogdan; Kownacki, Ireneusz; Franczyk, Adrian; Kubicki, Maciej","Silsesquioxyl rhodium(I) complexes‒synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5073","5077","10.1039/c0dt01631d","","","0.71073","MoKα","","0.0958","0.0563","","","0.1313","0.1368","","","","","","0.96","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015468","12.6224","0.0013","15.2989","0.0018","22.254","0.003","90","","90","","90","","4297.4","0.9","193.1","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 Cl F6 Ir N3 O12 P -","- C35 H42 Cl F6 Ir N3 O12 P -","- C140 H168 Cl4 F24 Ir4 N12 O48 P4 -","4","1","","Shibata, Teppei; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori","Unprecedented diastereoselective generation of chiral-at-metal, half sandwich Ir(III) and Rh(III) complexes via anomeric isomerism on ""sugar-coated"" N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4826","4829","10.1039/c0dt01634a","","","0.7107","MoKα","","","0.0455","","","","0.0968","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015469","12.5638","0.0007","15.2175","0.0009","22.2295","0.0014","90","","90","","90","","4250","0.4","193.1","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 Cl3 F6 N3 O9 P Rh -","- C34 H44 Cl3 F6 N3 O9 P Rh -","- C136 H176 Cl12 F24 N12 O36 P4 Rh4 -","4","1","","Shibata, Teppei; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori","Unprecedented diastereoselective generation of chiral-at-metal, half sandwich Ir(III) and Rh(III) complexes via anomeric isomerism on ""sugar-coated"" N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4826","4829","10.1039/c0dt01634a","","","0.71075","MoKα","","","0.0454","","","","0.1062","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015470","12.9005","0.0011","14.3387","0.0012","16.4886","0.0013","71.04","0.001","81.626","0.001","65.462","0.001","2623.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H42 Co3 N16 O3 -","- C58 H40 Co3 N16 O3 -","- C116 H80 Co6 N32 O6 -","2","1","","Li, Bo; Zhang, Jingping; Yong, Xue; Li, Wenliang; Zheng, Yiying","The low spin Co(II) fragment with homoleptic 1,10-phenanthroline ligands: synthesis, structures, DFT investigations, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4459","4464","10.1039/c0dt01640c","","","0.71073","MoKα","","0.0566","0.0438","","","0.1139","0.1212","","","","","","1","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015471","12.17","0.0008","16.4977","0.0011","20.0795","0.0012","94.498","0.001","93.493","0.001","106.921","0.001","3830.2","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H70 Co3 N20 O11 -","- C80 H50 Co3 N20 O11 -","- C160 H100 Co6 N40 O22 -","2","1","","Li, Bo; Zhang, Jingping; Yong, Xue; Li, Wenliang; Zheng, Yiying","The low spin Co(II) fragment with homoleptic 1,10-phenanthroline ligands: synthesis, structures, DFT investigations, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4459","4464","10.1039/c0dt01640c","","","0.71073","MoKα","","0.1304","0.0676","","","0.1396","0.1588","","","","","","0.978","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015472","17.027","0.003","9.5242","0.0019","18.442","0.004","90","","104.05","0.03","90","","2901.2","1.1","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 Cu N4 O4 S2 -","- C30 H20 Br2 Cu N4 O4 S2 -","- C120 H80 Br8 Cu4 N16 O16 S8 -","4","1","","Römer, René; Gradert, Christian; Bannwarth, Alexander; Peters, Gerhard; Näther, Christian; Tuczek, Felix","One-step synthesis of Mo(0) and W(0) bis(dinitrogen) complexes with the linear tetraphosphine ligand prP4: stereoselective formation of cis-[M(N2)2(rac-prP4)] and trans-[M(N2)2(meso-prP4)]; M = Mo, W.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3229","3236","10.1039/c0dt01646b","","","0.71073","MoKα","","0.1035","0.0497","","","0.1119","0.1182","","","","","","0.927","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015473","7.5438","0.0008","9.0878","0.0009","11.3719","0.0012","85.485","0.006","78.375","0.006","69.76","0.005","716.44","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Hdapp","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Römer, René; Gradert, Christian; Bannwarth, Alexander; Peters, Gerhard; Näther, Christian; Tuczek, Felix","One-step synthesis of Mo(0) and W(0) bis(dinitrogen) complexes with the linear tetraphosphine ligand prP4: stereoselective formation of cis-[M(N2)2(rac-prP4)] and trans-[M(N2)2(meso-prP4)]; M = Mo, W.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3229","3236","10.1039/c0dt01646b","","","0.71069","MoKα","","0.0676","0.0459","","","0.1173","0.1281","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015474","12.965","0.0017","14.378","0.0018","12.9795","0.0016","90","","90.445","0.008","90","","2419.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hzapp","","","- C25 H30 N4 O6 -","- C25 H30 N4 O6 -","- C100 H120 N16 O24 -","4","1","","Römer, René; Gradert, Christian; Bannwarth, Alexander; Peters, Gerhard; Näther, Christian; Tuczek, Felix","One-step synthesis of Mo(0) and W(0) bis(dinitrogen) complexes with the linear tetraphosphine ligand prP4: stereoselective formation of cis-[M(N2)2(rac-prP4)] and trans-[M(N2)2(meso-prP4)]; M = Mo, W.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3229","3236","10.1039/c0dt01646b","","","0.71073","MoKα","","0.0809","0.043","","","0.0952","0.1124","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015475","9.4885","0.0008","11.4201","0.0011","19.3015","0.0017","92.688","0.011","90.529","0.01","112.629","0.01","1927.5","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H44 Mo N4 P4 -","- C43 H44 Mo N4 P4 -","- C86 H88 Mo2 N8 P8 -","2","1","","Römer, René; Gradert, Christian; Bannwarth, Alexander; Peters, Gerhard; Näther, Christian; Tuczek, Felix","One-step synthesis of Mo(0) and W(0) bis(dinitrogen) complexes with the linear tetraphosphine ligand prP4: stereoselective formation of cis-[M(N2)2(rac-prP4)] and trans-[M(N2)2(meso-prP4)]; M = Mo, W.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3229","3236","10.1039/c0dt01646b","","","0.71073","MoKα","","0.0952","0.0725","","","0.1884","0.2007","","","","","","1.141","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015476","12.2286","0.0009","17.4493","0.0013","25.3574","0.0019","90","","90","","90","","5410.8","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 F6 Fe2 N4 -","- C29 H22 F6 Fe2 N4 -","- C232 H176 F48 Fe16 N32 -","8","1","","Zhang, Qiong; Song, Wen-Li; Showkot Hossain, A. M.; Liu, Zhao-Di; Hu, Gui-Ju; Tian, Yu-Peng; Wu, Jie-Ying; Jin, Bao-Kang; Zhou, Hong-Ping; Yang, Jia-Xiang; Zhang, Sheng-Yi","Synthesis, crystal structure, electrochemistry and in situ FTIR spectroelectrochemistry of a bisferrocene pyrazole derivative.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3510","3516","10.1039/c0dt01648a","","","0.71073","MoKα","","0.0572","0.0424","","","0.1417","0.1563","","","","","","1.17","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015477","26.592","0.01","9.229","0.003","10.178","0.004","90","","103.289","0.005","90","","2431","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N O5 P Zn -","- C11 H11 N O5 P Zn -","- C88 H88 N8 O40 P8 Zn8 -","8","1","","Tong, Fei; Sun, Zhen-Gang; Chen, Kai; Zhu, Yan-Yu; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao","Hydrothermal synthesis, structures, and luminescent properties of zinc(II) and cadmium(II) phosphonates with a 3D framework structure using terephthalate as second linkers.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5059","5065","10.1039/c0dt01649g","","","0.71073","MoKα","","0.1072","0.0581","","","0.1188","0.1394","","","","","","1.014","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015478","7.7215","0.001","9.2893","0.0012","9.7711","0.0012","104.628","0.001","92.464","0.002","103.546","0.002","655.37","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Cd1.5 N O7 P -","- C11 H14 Cd1.5 N O7 P -","- C22 H28 Cd3 N2 O14 P2 -","2","1","","Tong, Fei; Sun, Zhen-Gang; Chen, Kai; Zhu, Yan-Yu; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao","Hydrothermal synthesis, structures, and luminescent properties of zinc(II) and cadmium(II) phosphonates with a 3D framework structure using terephthalate as second linkers.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5059","5065","10.1039/c0dt01649g","","","0.71073","MoKα","","0.0332","0.031","","","0.0748","0.0762","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015479","9.3696","0.0007","15.8826","0.0012","16.5052","0.0013","95.561","0.001","106.305","0.001","90.222","0.001","2345.1","0.3","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Cl2 N3 O2 V -","- C38 H54 Cl2 N3 O2 V -","- C76 H108 Cl4 N6 O4 V2 -","2","1","","Mu, Jing-Shan; Wang, Yong-Xia; Li, Bai-Xiang; Li, Yue-Sheng","Synthesis of vanadium(III) complexes bearing iminopyrrolyl ligands and their role as thermal robust ethylene (co)polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3490","3497","10.1039/c0dt01650k","","","0.71073","MoKα","","0.0706","0.0492","","","0.1194","0.1289","","","","","","0.982","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015480","11.019","0.0009","14.89","0.0012","22.0694","0.0018","90","","102.55","0.001","90","","3534.5","0.5","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 Cl N4 O V -","- C38 H50 Cl N4 O V -","- C152 H200 Cl4 N16 O4 V4 -","4","0.5","","Mu, Jing-Shan; Wang, Yong-Xia; Li, Bai-Xiang; Li, Yue-Sheng","Synthesis of vanadium(III) complexes bearing iminopyrrolyl ligands and their role as thermal robust ethylene (co)polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3490","3497","10.1039/c0dt01650k","","","0.71073","MoKα","","0.0594","0.0513","","","0.1405","0.1464","","","","","","1.061","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015481","12.93","0.004","14.224","0.004","22.326","0.006","84.783","0.004","88.519","0.004","64.047","0.004","3676.3","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H83 N5 O19 Pt15 -","- C53 H83 N5 O19 Pt15 -","- C106 H166 N10 O38 Pt30 -","2","1","","Gao, F.; Li, C.; Heaton, B. T.; Zacchini, S.; Zarra, S.; Longoni, G.; Garland, M.","The inter-conversions of platinum carbonyl dianionic clusters, [Pt3(CO)6](n)2- (n = 2-5), in THF and acetonitrile. A combined in situ FTIR spectroscopic and BTEM study leading to the characterization of the new [H(4-x)Pt15(CO)19]x- (x = 2-4) clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5002","5008","10.1039/c0dt01654c","","","0.71073","MoKα","","0.0856","0.0593","","","0.1459","0.1637","","","","","","0.975","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015482","12.229","0.005","13.097","0.005","16.199","0.005","113.08","0.005","99.95","0.005","98.86","0.005","2279.4","1.5","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C59.5 H40 Co N6 -","- C59.5 H40 Co N6 -","- C119 H80 Co2 N12 -","2","1","","Gresser, Roland; Hoyer, Alexander; Hummert, Markus; Hartmann, Horst; Leo, Karl; Riede, Moritz","Homoleptic Co(II), Ni(II), Cu(II), Zn(II) and Hg(II) complexes of bis-(phenyl)-diisoindol-aza-methene.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3476","3483","10.1039/c0dt01655a","","","0.71073","MoKα","","0.0773","0.0482","","","0.0938","0.1119","","","","","","1.202","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015483","13.239","0.005","13.699","0.005","16.251","0.005","72.13","0.005","68.38","0.005","68.57","0.005","2499.5","1.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C62.5 H42 Cl2 N6 Zn -","- C62 H41 Cl N6 Zn -","- C124 H82 Cl2 N12 Zn2 -","2","1","","Gresser, Roland; Hoyer, Alexander; Hummert, Markus; Hartmann, Horst; Leo, Karl; Riede, Moritz","Homoleptic Co(II), Ni(II), Cu(II), Zn(II) and Hg(II) complexes of bis-(phenyl)-diisoindol-aza-methene.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3476","3483","10.1039/c0dt01655a","","","0.71069","MoKα","","0.0807","0.0606","","","0.1484","0.1598","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015484","11.042","0.005","10.058","0.005","15.258","0.007","90","","107.627","0.006","90","","1615","1.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl2 Cu N4 O2.5 S -","- C12 H15 Cl2 Cu N4 O2.5 S -","- C48 H60 Cl8 Cu4 N16 O10 S4 -","4","1","","Raja, Duraisamy Senthil; Paramaguru, Ganesan; Bhuvanesh, Nattamai S. P.; Reibenspies, Joseph H.; Renganathan, Rajalingam; Natarajan, Karuppannan","Effect of terminal N-substitution in 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the mode of coordination, structure, interaction with protein, radical scavenging and cytotoxic activity of copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4548","4559","10.1039/c0dt01657h","","","0.71073","MoKα","","0.0628","0.0485","","","0.1277","0.1368","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015485","12.487","0.0005","10.0729","0.0004","12.6494","0.0005","90","","101.165","0.001","90","","1560.93","0.11","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H13.8 Cl2 Cu N4 O2.9 S -","- C11 H13.8 Cl2 Cu N4 O2.9 S -","- C44 H55.2 Cl8 Cu4 N16 O11.6 S4 -","4","1","","Raja, Duraisamy Senthil; Paramaguru, Ganesan; Bhuvanesh, Nattamai S. P.; Reibenspies, Joseph H.; Renganathan, Rajalingam; Natarajan, Karuppannan","Effect of terminal N-substitution in 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the mode of coordination, structure, interaction with protein, radical scavenging and cytotoxic activity of copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4548","4559","10.1039/c0dt01657h","","","1.54178","CuKα","","0.0293","0.0268","","","0.0683","0.0694","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015486","7.392","0.006","24.362","0.019","9.914","0.008","90","","102.872","0.01","90","","1740","2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl2 Cu N4 O2 S -","- C14 H18 Cl2 Cu N4 O2 S -","- C56 H72 Cl8 Cu4 N16 O8 S4 -","4","1","","Raja, Duraisamy Senthil; Paramaguru, Ganesan; Bhuvanesh, Nattamai S. P.; Reibenspies, Joseph H.; Renganathan, Rajalingam; Natarajan, Karuppannan","Effect of terminal N-substitution in 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the mode of coordination, structure, interaction with protein, radical scavenging and cytotoxic activity of copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4548","4559","10.1039/c0dt01657h","","","0.71073","MoKα","","0.0472","0.0334","","","0.0799","0.0853","","","","","","1.021","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015487","8.447","0.003","16.895","0.006","13.235","0.005","90","","100.997","0.004","90","","1854.1","1.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl Cu N4 O2 S -","- C18 H17 Cl Cu N4 O2 S -","- C72 H68 Cl4 Cu4 N16 O8 S4 -","4","1","","Raja, Duraisamy Senthil; Paramaguru, Ganesan; Bhuvanesh, Nattamai S. P.; Reibenspies, Joseph H.; Renganathan, Rajalingam; Natarajan, Karuppannan","Effect of terminal N-substitution in 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the mode of coordination, structure, interaction with protein, radical scavenging and cytotoxic activity of copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4548","4559","10.1039/c0dt01657h","","","0.71073","MoKα","","0.0267","0.0243","","","0.0619","0.0632","","","","","","1.039","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015488","7.589","0.002","16.898","0.004","7.614","0.002","84.03","0.02","113.26","0.02","85.61","0.02","884.8","0.4","292.2","","292.2","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 B10 Se -","- C13 H20 B10 Se -","- C26 H40 B20 Se2 -","2","1","","Guzyr, Olexandr; Viñas, Clara; Wada, Hideki; Hayashi, Satoko; Nakanishi, Waro; Teixidor, Francesc; Puga, Alberto V.; David, Vasile","Synthesis, structural, spectroscopic and electrochemical studies of carborane substituted naphthyl selenides.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3402","3411","10.1039/c0dt01658f","","","0.7107","MoKα","","","0.0523","","","0.0402","","","","","2.955","2.955","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015489","10.759","0.004","14.445","0.003","13.734","0.004","90","","99.32","0.02","90","","2106.3","1.1","292.2","","292.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B10 Se -","- C18 H22 B10 Se -","- C72 H88 B40 Se4 -","4","1","","Guzyr, Olexandr; Viñas, Clara; Wada, Hideki; Hayashi, Satoko; Nakanishi, Waro; Teixidor, Francesc; Puga, Alberto V.; David, Vasile","Synthesis, structural, spectroscopic and electrochemical studies of carborane substituted naphthyl selenides.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3402","3411","10.1039/c0dt01658f","","","0.7107","MoKα","","","0.0451","","","0.0328","","","","","1.995","1.995","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015490","8.54","0.0013","13.084","0.002","13.2212","0.0019","90","","95.052","0.002","90","","1471.6","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl2 N3 Zn -","- C13 H15 Cl2 N3 Zn -","- C52 H60 Cl8 N12 Zn4 -","4","1","","Qian, Jing; Wang, Liping; Gu, Wen; Liu, Xin; Tian, Jinlei; Yan, Shiping","Efficient double-strand cleavage of DNA mediated by Zn(ii)-based artificial nucleases.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5617","5624","10.1039/c0dt01659d","","","0.71073","MoKα","","0.0449","0.0291","","","0.0675","0.0734","","","","","","1.056","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015491","8.5051","0.0016","9.334","0.0018","12.88","0.003","90.705","0.003","107.07","0.002","103.628","0.002","946.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H38 Cl2 N6 O15 Zn2 -","- C29 H38 Cl2 N6 O15 Zn2 -","- C29 H38 Cl2 N6 O15 Zn2 -","1","0.5","","Qian, Jing; Wang, Liping; Gu, Wen; Liu, Xin; Tian, Jinlei; Yan, Shiping","Efficient double-strand cleavage of DNA mediated by Zn(ii)-based artificial nucleases.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5617","5624","10.1039/c0dt01659d","","","0.71073","MoKα","","0.0487","0.0404","","","0.1129","0.1178","","","","","","1.054","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015492","13.951","0.005","18.353","0.005","15.516","0.005","90","","106.683","0.005","90","","3806","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H40 Eu2 F36 N2 O18 -","- C62 H30 Eu2 F36 N2 O18 -","- C124 H60 Eu4 F72 N4 O36 -","2","0.5","","Xu, Hai-Bing; Li, Jia; Shi, Lin-Xi; Chen, Zhong-Ning","Sensitized luminescence in dinuclear lanthanide(iii) complexes of bridging 8-hydroxyquinoline derivatives with different electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5549","5556","10.1039/c0dt01663b","","","0.71073","MoKα","","0.086","0.0618","","","0.1594","0.2387","","","","","","1.167","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015493","27.259","0.007","14.464","0.003","23.046","0.005","90","","105.126","0.005","90","","8772","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H50 F36 N4 Nd2 O18 -","- C66 H40 F36 N4 Nd2 O18 -","- C264 H160 F144 N16 Nd8 O72 -","4","0.5","","Xu, Hai-Bing; Li, Jia; Shi, Lin-Xi; Chen, Zhong-Ning","Sensitized luminescence in dinuclear lanthanide(iii) complexes of bridging 8-hydroxyquinoline derivatives with different electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5549","5556","10.1039/c0dt01663b","","","0.71073","MoKα","","0.0686","0.0578","","","0.1525","0.1747","","","","","","1.103","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015494","7.7454","0.0002","7.74872","0.00017","11.7132","0.0002","90","","90","","90","","702.99","0.03","14","","14","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- Cl1.017 Cu La Nb2 O7 -","- Cl1.017 Cu La Nb2 O7 -","- Cl4.068 Cu4 La4 Nb8 O28 -","4","0.5","","Hernandez, Olivier J.; Tassel, Cédric; Nakano, Kunihiro; Paulus, Werner; Ritter, Clemens; Collet, Eric; Kitada, Atsushi; Yoshimura, Kazuyoshi; Kageyama, Hiroshi","First single-crystal synthesis and low-temperature structural determination of the quasi-2D quantum spin compound (CuCl)LaNb2O7.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4605","4613","10.1039/c0dt01665a","","","0.71069","MoKα","","0.0316","0.0316","","","0.0376","0.0376","","","","2.1","2.1","2.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015495","11.2486","0.0003","7.9854","0.0002","15.4505","0.0005","90","","94.418","0.003","90","","1383.71","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N4 O3 Zn -","- C15 H10 N4 O3 Zn -","- C60 H40 N16 O12 Zn4 -","4","1","","Yong, Guo-Ping; Li, Ying-Zhou; Li, Chong-Fu; Zhang, Yi-Man; She, Wen-Long","New metal-anion radical framework materials: Co(II) compounds showing ferromagnetic to antiferromagnetic phase transition at about 344 K, and Zn(II) compounds exhibiting terminal anion ligand induced direct white-light-emission.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4131","4139","10.1039/c0dt01667e","","","0.71073","MoKα","","0.0766","0.0512","","","0.1442","0.1506","","","","","","1.017","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015496","11.189","0.002","8.0372","0.0016","15.294","0.003","90","","94.2","0.03","90","","1371.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br Co N4 O -","- C14 H9 Br3 Co N4 O -","- C56 H36 Br12 Co4 N16 O4 -","4","1","","Yong, Guo-Ping; Li, Ying-Zhou; Li, Chong-Fu; Zhang, Yi-Man; She, Wen-Long","New metal-anion radical framework materials: Co(II) compounds showing ferromagnetic to antiferromagnetic phase transition at about 344 K, and Zn(II) compounds exhibiting terminal anion ligand induced direct white-light-emission.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4131","4139","10.1039/c0dt01667e","","","0.71073","MoKα","","0.1387","0.101","","","0.2716","0.2951","","","","","","1.067","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015497","9.8748","0.0003","7.5962","0.0003","21.3359","0.0006","90","","96.157","0.002","90","","1591.19","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Co N4 O3 -","- C18 H11 Co N4 O3 -","- C72 H44 Co4 N16 O12 -","4","1","","Yong, Guo-Ping; Li, Ying-Zhou; Li, Chong-Fu; Zhang, Yi-Man; She, Wen-Long","New metal-anion radical framework materials: Co(II) compounds showing ferromagnetic to antiferromagnetic phase transition at about 344 K, and Zn(II) compounds exhibiting terminal anion ligand induced direct white-light-emission.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4131","4139","10.1039/c0dt01667e","","","1.54184","CuKα","","0.0405","0.0282","","","0.0633","0.0648","","","","","","0.999","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015498","8.516","0.002","11.588","0.003","17.098","0.005","90","","90","","90","","1687.3","0.8","100","1","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B N2 Si -","- C15 H27 B N2 Si -","- C60 H108 B4 N8 Si4 -","4","1","","Jana, Anukul; Leusser, Dirk; Objartel, Ina; Roesky, Herbert W.; Stalke, Dietmar","A stable silicon(ii) monohydride.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5458","5463","10.1039/c0dt01675f","","","0.71073","MoKα","","0.032","0.032","","","","0.069","0.04","","","","","2.205","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015499","11.7654","0.0009","25.9552","0.0018","13.4362","0.0009","90","","110.883","0.001","90","","3833.5","0.5","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H90 N12 Nd2 O2 Si4 -","- C62 H90 N12 Nd2 O2 Si4 -","- C124 H180 N24 Nd4 O4 Si8 -","2","1","","Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Sánchez-Barba, Luis F; Castro-Osma, José A; Rodríguez, Ana M","Heteroscorpionate rare-earth initiators for the controlled ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4687","4696","10.1039/c0dt01678k","","","0.71073","MoKα","","0.0743","0.0542","","","0.1311","0.1445","","","","","","1","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015500","12.639","0.006","26.133","0.013","19.332","0.009","90","","94.835","0.007","90","","6363","5","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H106 N12 O2 Si4 Sm2 -","- C47 H82 N12 O2 Si4 Sm2 -","- C188 H328 N48 O8 Si16 Sm8 -","4","1","","Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Sánchez-Barba, Luis F; Castro-Osma, José A; Rodríguez, Ana M","Heteroscorpionate rare-earth initiators for the controlled ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4687","4696","10.1039/c0dt01678k","","","0.71073","MoKα","","0.163","0.0888","","","0.1973","0.2311","","","","","","0.936","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015501","8.8079","0.0003","8.8079","0.0003","21.1663","0.0006","90","","90","","120","","1422.07","0.08","90","2","90","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","","","","- C7 H8 Ni O7 -","- C7 H8 Ni O7 -","- C42 H48 Ni6 O42 -","6","1","","Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K.","Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6401","6410","10.1039/c0dt01687j","","x-ray","0.71073","MoKα","","0.0329","0.0272","","","0.0546","0.0566","","","","","","1.081","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015502","8.6716","0.0004","8.6716","0.0004","10.865","0.0005","90","","90","","120","","707.55","0.06","90","2","90","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","fe gallate dihydrate","","","- C7 H7 Fe O7 -","- C7 H2 Fe O7 -","- C21 H6 Fe3 O21 -","3","0.5","","Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K.","Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6401","6410","10.1039/c0dt01687j","","x-ray","0.71073","MoKα","","0.0405","0.0366","","","0.0986","0.1036","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015503","9.0659","0.0002","9.0659","0.0002","21.7273","0.0005","90","","90","","120","","1546.53","0.06","102","2","102","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","","","","- C7 H8 Mn O7 -","- C7 H8 Mn O7 -","- C42 H48 Mn6 O42 -","6","1","","Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K.","Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6401","6410","10.1039/c0dt01687j","","x-ray","0.71073","MoKα","","0.0424","0.0362","","","0.0926","0.0965","","","","","","1.118","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015504","9.0553","0.0002","9.0553","0.0002","10.8872","0.0003","90","","90","","120","","773.13","0.03","300","2","300","2","","","","","","","synthesis as described","4","P 32 2 1","P 32 2""","154","","","","- C7 H8 Mn O7 -","- C7 H8 Mn O7 -","- C21 H24 Mn3 O21 -","3","0.5","","Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K.","Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6401","6410","10.1039/c0dt01687j","","x-ray","0.71073","MoKα","","0.0273","0.0248","","","0.0555","0.0566","","","","","","1.133","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015505","16.0916","0.0004","9.3706","0.0002","18.3895","0.0003","90","","91.5729","0.0013","90","","2771.87","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cl2 N6 O2 Pt -","- C24 H34 Cl2 N6 O2 Pt -","- C96 H136 Cl8 N24 O8 Pt4 -","4","1","","Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Haukka, Matti; Kukushkin, Vadim Yu","Unexpectedly efficient activation of push-pull nitriles by a Pt(II) center toward dipolar cycloaddition of Z-nitrones.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4175","4182","10.1039/c0dt01689f","","","0.71073","MoKα","","0.0505","0.0283","","","0.0534","0.0598","","","","","","1.069","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015506","9.6768","0.0002","12.1702","0.0002","26.9509","0.0003","90","","96.154","0.0011","90","","3155.68","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Cl2 N6 O2 Pt -","- C30 H42 Cl2 N6 O2 Pt -","- C120 H168 Cl8 N24 O8 Pt4 -","4","1","","Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Haukka, Matti; Kukushkin, Vadim Yu","Unexpectedly efficient activation of push-pull nitriles by a Pt(II) center toward dipolar cycloaddition of Z-nitrones.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4175","4182","10.1039/c0dt01689f","","","0.71073","MoKα","","0.053","0.0313","","","0.0558","0.0611","","","","","","1.037","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015507","8.4287","0.0007","11.1631","0.0008","19.8266","0.0014","90","","97.669","0.004","90","","1848.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl2 N6 O4 Pt -","- C36 H42 Cl2 N6 O4 Pt -","- C72 H84 Cl4 N12 O8 Pt2 -","2","0.5","","Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Haukka, Matti; Kukushkin, Vadim Yu","Unexpectedly efficient activation of push-pull nitriles by a Pt(II) center toward dipolar cycloaddition of Z-nitrones.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4175","4182","10.1039/c0dt01689f","","","0.71073","MoKα","","0.0788","0.0515","","","0.1025","0.114","","","","","","1.105","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015508","8.2227","0.0002","11.0745","0.0003","13.774","0.0004","102.439","0.0013","99.8321","0.0014","102.697","0.0013","1163.16","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cl2 N5 O Pt -","- C19 H31 Cl2 N5 O Pt -","- C38 H62 Cl4 N10 O2 Pt2 -","2","1","","Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Haukka, Matti; Kukushkin, Vadim Yu","Unexpectedly efficient activation of push-pull nitriles by a Pt(II) center toward dipolar cycloaddition of Z-nitrones.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4175","4182","10.1039/c0dt01689f","","","0.71073","MoKα","","0.0277","0.025","","","0.0558","0.0572","","","","","","1.08","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015509","8.8744","0.0005","9.0004","0.0005","10.5203","0.0006","67.763","0.005","84.663","0.004","77.02","0.005","757.89","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 Br2 In N4 Se -","- C10 H13 Br2 In N4 Se -","- C20 H26 Br4 In2 N8 Se2 -","2","1","","Molter, Anja; Mohr, Fabian","Indium(III), antimony(III) and bismuth(III) dihalide complexes with tridentate, anionic thio- and selenosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3754","3758","10.1039/c0dt01693d","","","0.71073","MoKα","","0.0646","0.041","","","0.1135","0.1483","","","","","","1.022","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015510","7.184","0.0004","10.0281","0.0006","12.6768","0.0007","81.442","0.005","74.886","0.005","71.157","0.005","832.33","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H17 Br2 In N4 O S -","- C11 H17 Br2 In N4 O S -","- C22 H34 Br4 In2 N8 O2 S2 -","2","1","","Molter, Anja; Mohr, Fabian","Indium(III), antimony(III) and bismuth(III) dihalide complexes with tridentate, anionic thio- and selenosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3754","3758","10.1039/c0dt01693d","","","0.71073","MoKα","","0.0602","0.0423","","","0.0901","0.0987","","","","","","1.066","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015511","8.4928","0.0003","15.1918","0.0006","11.4316","0.0004","90","","96.4","0.004","90","","1465.72","0.09","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl2 N4 Sb Se -","- C10 H13 Cl2 N4 Sb Se -","- C40 H52 Cl8 N16 Sb4 Se4 -","4","1","","Molter, Anja; Mohr, Fabian","Indium(III), antimony(III) and bismuth(III) dihalide complexes with tridentate, anionic thio- and selenosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3754","3758","10.1039/c0dt01693d","","","0.7107","MoKα","","0.061","0.0375","","","0.0946","0.0999","","","","","","0.989","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015512","8.3795","0.0012","15.2295","0.0017","11.4394","0.0018","90","","95.786","0.013","90","","1452.4","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl2 N4 S Sb -","- C10 H13 Cl2 N4 S Sb -","- C40 H52 Cl8 N16 S4 Sb4 -","4","1","","Molter, Anja; Mohr, Fabian","Indium(III), antimony(III) and bismuth(III) dihalide complexes with tridentate, anionic thio- and selenosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3754","3758","10.1039/c0dt01693d","","","0.7107","MoKα","","0.2101","0.0622","","","0.0687","0.0841","","","","","","0.73","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015513","9.4809","0.0006","9.6771","0.0006","33.348","0.002","90","","91.352","0.003","90","","3058.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H48 B Cl N P2 Pt Si2 -","- C23 H48 B Cl N P2 Pt Si2 -","- C92 H192 B4 Cl4 N4 P8 Pt4 Si8 -","4","1","","Braunschweig, Holger; Ye, Qing; Radacki, Krzystof; Kupfer, Thomas","Reactivity of a platinum-substituted borirene.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3666","3670","10.1039/c0dt01694b","","","0.71073","MoKα","","0.049","0.0469","","","0.1115","0.1127","","","","","","1.224","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015514","16.3309","0.0009","9.2064","0.0005","39.75","0.002","90","","91.016","0.003","90","","5975.4","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 B Cl2 N P2 Pt Si2 -","- C20 H42 B Cl2 N P2 Pt Si2 -","- C160 H336 B8 Cl16 N8 P16 Pt8 Si16 -","8","2","","Braunschweig, Holger; Ye, Qing; Radacki, Krzystof; Kupfer, Thomas","Reactivity of a platinum-substituted borirene.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3666","3670","10.1039/c0dt01694b","","","0.71073","MoKα","","0.0719","0.0516","","","0.1062","0.113","","","","","","1.153","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015515","8.9084","0.0005","21.5491","0.0011","15.4872","0.0008","90","","106.388","0.002","90","","2852.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H41 B Br N P2 Pt Si2 -","- C20 H41 B Br N P2 Pt Si2 -","- C80 H164 B4 Br4 N4 P8 Pt4 Si8 -","4","1","","Braunschweig, Holger; Ye, Qing; Radacki, Krzystof; Kupfer, Thomas","Reactivity of a platinum-substituted borirene.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3666","3670","10.1039/c0dt01694b","","","0.71073","MoKα","","0.0262","0.021","","","0.0461","0.0481","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015516","9.272","0.0004","11.8897","0.0005","15.1439","0.0007","90","","104.758","0.002","90","","1614.41","0.12","108","2","108","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(2-bromo-3-methylpyridine)dichlorocopper (II)","","- C12 H12 Br2 Cl2 Cu N2 -","- C12 H12 Br2 Cl2 Cu N2 -","- C48 H48 Br8 Cl8 Cu4 N8 -","4","1","","Herringer, Susan N.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L.","Copper(II) complexes of 2-halo-3-methylpyridine: synthesis, structure, and magnetic behaviour of Cu(2-X-3-CH(3)py)2X'2 [X, X' = chlorine or bromine; py = pyridine].","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4242","4252","10.1039/c0dt01696a","","","0.71073","MoKα","","0.0673","0.0438","","","0.1047","0.1188","","","","","","1.143","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015517","6.0949","0.0002","7.4718","0.0003","9.5654","0.0005","104.579","0.003","91.809","0.003","112.825","0.002","384.47","0.03","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","bis(2-chloro-3-methylpyridine)dibromocopper (II)","","- C12 H12 Br2 Cl2 Cu N2 -","- C12 H12 Br2 Cl2 Cu N2 -","- C12 H12 Br2 Cl2 Cu N2 -","1","0.5","","Herringer, Susan N.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L.","Copper(II) complexes of 2-halo-3-methylpyridine: synthesis, structure, and magnetic behaviour of Cu(2-X-3-CH(3)py)2X'2 [X, X' = chlorine or bromine; py = pyridine].","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4242","4252","10.1039/c0dt01696a","","","0.71073","MoKα","","0.023","0.02","","","0.049","0.0502","","","","","","1.037","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015518","8.5063","0.0004","8.6802","0.0004","11.7102","0.0005","83.729","0.002","70.284","0.002","67.255","0.002","750.43","0.06","165","2","165","2","","","","","","","","5","P -1","-P 1","2","","bis(2-chloro-3-methylpyridine)dichlorocopper (II)","","- C12 H12 Cl4 Cu N2 -","- C12 H12 Cl4 Cu N2 -","- C24 H24 Cl8 Cu2 N4 -","2","1","","Herringer, Susan N.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L.","Copper(II) complexes of 2-halo-3-methylpyridine: synthesis, structure, and magnetic behaviour of Cu(2-X-3-CH(3)py)2X'2 [X, X' = chlorine or bromine; py = pyridine].","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4242","4252","10.1039/c0dt01696a","","","0.71073","MoKα","","0.0242","0.0215","","","0.0592","0.0613","","","","","","1.058","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015519","6.244","0.0002","7.4588","0.0003","9.5897","0.0004","104.777","0.002","90.043","0.002","114.151","0.002","391.24","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","bis(2-bromo-3-methylpyridine)dibromocopper (II)","","- C12 H12 Br4 Cu N2 -","- C12 H12 Br4 Cu N2 -","- C12 H12 Br4 Cu N2 -","1","0.5","","Herringer, Susan N.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L.","Copper(II) complexes of 2-halo-3-methylpyridine: synthesis, structure, and magnetic behaviour of Cu(2-X-3-CH(3)py)2X'2 [X, X' = chlorine or bromine; py = pyridine].","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4242","4252","10.1039/c0dt01696a","","","0.71073","MoKα","","0.0214","0.0186","","","0.0446","0.0454","","","","","","1.086","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015520","8.6644","0.0002","8.9944","0.0002","11.9792","0.0003","80.235","0.001","69.813","0.001","64.1","0.001","788","0.03","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","bis(2-chloro-3-methylpyridine)dibromocopper (II)","","- C12 H12 Br2 Cl2 Cu N2 -","- C12 H12 Br2 Cl2 Cu N2 -","- C24 H24 Br4 Cl4 Cu2 N4 -","2","1","","Herringer, Susan N.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L.","Copper(II) complexes of 2-halo-3-methylpyridine: synthesis, structure, and magnetic behaviour of Cu(2-X-3-CH(3)py)2X'2 [X, X' = chlorine or bromine; py = pyridine].","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4242","4252","10.1039/c0dt01696a","","","0.71073","MoKα","","0.0302","0.0235","","","0.0622","0.0738","","","","","","1.163","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015521","6.9978","0.0002","6.9978","0.0002","8.4687","0.0004","90","","90","","120","","359.15","0.02","110","2","110","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H3 Co K O6 -","- C3 H3 Co K O6 -","- C6 H6 Co2 K2 O12 -","2","0.166667","","Duan, Zhiming; Wang, Zheming; Gao, Song","Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4465","4473","10.1039/c0dt01701a","","","0.71073","MoKα","","0.0306","0.022","","","0.0524","0.0543","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7015522","6.993","0.0013","6.993","0.0013","8.4439","0.0015","90","","90","","120","","357.6","0.11","180","2","180","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H3 Co K O6 -","- C3 H3 Co K O6 -","- C6 H6 Co2 K2 O12 -","2","0.166667","","Duan, Zhiming; Wang, Zheming; Gao, Song","Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4465","4473","10.1039/c0dt01701a","","","0.71073","MoKα","","0.0235","0.0189","","","0.0454","0.0465","","","","","","1.178","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7015523","7.0124","0.0014","7.0124","0.0014","8.427","0.0018","90","","90","","120","","358.87","0.13","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H3 Co K O6 -","- C3 H3 Co K O6 -","- C6 H6 Co2 K2 O12 -","2","0.166667","","Duan, Zhiming; Wang, Zheming; Gao, Song","Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4465","4473","10.1039/c0dt01701a","","","0.71073","MoKα","","0.0239","0.0206","","","0.0532","0.0541","","","","","","1.194","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7015524","10.7489","0.0006","8.9864","0.0005","6.8879","0.0003","90","","95.466","0.003","90","","662.3","0.06","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H3 Co K O6 -","- C3 H3 Co K O6 -","- C12 H12 Co4 K4 O24 -","4","0.5","","Duan, Zhiming; Wang, Zheming; Gao, Song","Irreversible transformation of chiral to achiral polymorph of K[Co(HCOO)3]: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4465","4473","10.1039/c0dt01701a","","","0.71073","MoKα","","0.0363","0.0267","","","0.0604","0.0621","","","","","","1.083","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7015525","6.8184","0.0003","8.0206","0.0003","9.7388","0.0003","68.06","0.001","71.71","0.001","89.378","0.001","465.63","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl4 Cu2 N8 -","- C12 H12 Cl4 Cu2 N8 -","- C12 H12 Cl4 Cu2 N8 -","1","0.5","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0218","0.021","","","0.0503","0.0504","","","","","","2.709","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015526","16.8646","0.0015","7.5283","0.0007","18.99","0.0017","90","","103.99","0.002","90","","2339.5","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl2 Cu N6 O4 -","- C22 H22 Cl2 Cu N6 O4 -","- C88 H88 Cl8 Cu4 N24 O16 -","4","1","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0494","0.0422","","","0.1004","0.104","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015527","11.6858","0.0007","12.5597","0.0008","17.8088","0.0011","70.093","0.001","78.667","0.001","79.742","0.001","2392.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H41 Cl2 Cu N15 O8 -","- C48 H41 Cl2 Cu N15 O8 -","- C96 H82 Cl4 Cu2 N30 O16 -","2","1","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0584","0.0465","","","0.1078","0.1148","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015528","12.4446","0.0009","14.6888","0.001","17.0173","0.0012","114.15","0.001","101.255","0.001","96.187","0.001","2722","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H51 Cl2 Fe N15 O9 -","- C52 H51 Cl2 Fe N15 O9 -","- C104 H102 Cl4 Fe2 N30 O18 -","2","1","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0752","0.0542","","","0.0866","0.09","","","","","","2.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015529","12.31","0.0008","14.656","0.0009","17.4106","0.0011","114.703","0.001","101.989","0.001","94.29","0.001","2744.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 Cl2 Co N15 O9 -","- C52 H50.055 Cl2 Co N15 O9 -","- C104 H100.11 Cl4 Co2 N30 O18 -","2","1","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0575","0.0444","","","0.0794","0.081","","","","","","2.373","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015530","12.4784","0.0017","12.4784","0.0017","14.4891","0.0019","90","","90","","120","","1953.8","0.5","173","2","173","2","","","","","","","","5","P 62","P 62","171","","","","- C23 H19 Cl2 Cu N7 -","- C23 H19 Cl2 Cu N7 -","- C69 H57 Cl6 Cu3 N21 -","3","0.5","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0433","0.043","","","0.102","0.1021","","","","","","1.232","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015531","8.3249","0.0008","9.4048","0.0009","10.028","0.0009","90","","100.693","0.001","90","","771.5","0.13","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 Cu N8 -","- C12 H12 Cl2 Cu N8 -","- C24 H24 Cl4 Cu2 N16 -","2","0.5","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0224","0.0204","","","0.0537","0.0548","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015532","7.2242","0.0006","8.0475","0.0007","8.093","0.0007","84.613","0.001","67.877","0.001","76.589","0.001","423.96","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N10 O6 -","- C12 H12 Cu N10 O6 -","- C12 H12 Cu N10 O6 -","1","0.5","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0239","0.0237","","","0.0631","0.0633","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015533","7.1364","0.0004","9.0635","0.0005","10.3618","0.0005","108.756","0.001","94.27","0.001","107.286","0.001","595.15","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cl2 Cu N7 -","- C7 H7 Cl2 Cu N7 -","- C14 H14 Cl4 Cu2 N14 -","2","1","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0298","0.0247","","","0.0573","0.0593","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015534","15.1972","0.0007","12.5443","0.0006","14.1168","0.001","90","","119.04","","90","","2352.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Cl2 Cu N7 -","- C7 H7 Cl2 Cu N7 -","- C56 H56 Cl16 Cu8 N56 -","8","1","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0235","0.0209","","","0.0537","0.0553","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015535","15.5617","0.0012","11.3047","0.0009","7.9984","0.0006","90","","90","","90","","1407.08","0.19","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Cu N9 O7 -","- C7 H9 Cu N9 O7 -","- C28 H36 Cu4 N36 O28 -","4","0.5","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0266","0.0233","","","0.0631","0.0651","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015536","4.454","0.0005","13.6238","0.0015","20.238","0.002","84.472","0.009","85.962","0.008","82.683","0.009","1210.3","0.2","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N6 Ni S4 -","- C19 H19 N6 Ni S4 -","- C38 H38 N12 Ni2 S8 -","2","1","","Duan, Hai-Bao; Ren, Xiao-Ming; Shen, Lin-Jiang; Jin, Wan-Qin; Meng, Qing-Jin; Tian, Zheng-Fang; Zhou, Shi-Ming","A low-dimensional molecular spin system with two steps of magnetic transitions and liquid crystal property.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3622","3630","10.1039/c0dt01704c","","","1.54184","CuKα","","0.0591","0.0442","","","0.1363","0.1401","","","","","","1.226","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015537","4.5025","0.0006","13.6474","0.0013","20.506","0.0019","84.901","0.008","85.132","0.009","83.759","0.009","1244","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N6 Ni S4 -","- C19 H19 N6 Ni S4 -","- C38 H38 N12 Ni2 S8 -","2","1","","Duan, Hai-Bao; Ren, Xiao-Ming; Shen, Lin-Jiang; Jin, Wan-Qin; Meng, Qing-Jin; Tian, Zheng-Fang; Zhou, Shi-Ming","A low-dimensional molecular spin system with two steps of magnetic transitions and liquid crystal property.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3622","3630","10.1039/c0dt01704c","","","1.54178","CuKα","","0.0692","0.0473","","","0.1619","0.1722","","","","","","1.102","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015538","4.498","0.0003","20.577","0.0014","13.6962","0.0009","90","","96.193","0.006","90","","1260.26","0.15","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 N6 Ni S4 -","- C19 H19 N6 Ni S4 -","- C38 H38 N12 Ni2 S8 -","2","0.5","","Duan, Hai-Bao; Ren, Xiao-Ming; Shen, Lin-Jiang; Jin, Wan-Qin; Meng, Qing-Jin; Tian, Zheng-Fang; Zhou, Shi-Ming","A low-dimensional molecular spin system with two steps of magnetic transitions and liquid crystal property.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3622","3630","10.1039/c0dt01704c","","","1.54184","CuKα","","0.0719","0.0718","","","0.1827","0.1827","","","","","","1.435","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015539","14.098","0.004","17.364","0.005","11.925","0.004","90","","100.253","0.005","90","","2872.6","1.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Cl4 N8 Ni4 O12 -","- C56 H46 Cl4 N8 Ni4 O12 -","- C112 H92 Cl8 N16 Ni8 O24 -","2","0.5","","Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.","High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4590","4598","10.1039/c0dt01705a","","","0.71073","MoKα","","0.0897","0.0462","","","0.1195","0.1336","","","","","","1.049","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015540","13.6786","0.0003","17.2699","0.0004","11.9272","0.0002","90","","100.519","0.002","90","","2770.19","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Br4 N8 Ni4 O12 -","- C56 H46 Br4 N8 Ni4 O12 -","- C112 H92 Br8 N16 Ni8 O24 -","2","0.5","","Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.","High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4590","4598","10.1039/c0dt01705a","","","0.71073","MoKα","","0.0603","0.0488","","","0.1302","0.1338","","","","","","1.05","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015541","24.004","0.002","15.6042","0.0014","15.695","0.0015","90","","99.916","0.001","90","","5790.9","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H51.75 I2 N8 Ni3 O10.5 -","- C50.607 H51.821 I2 N8 Ni3 O10.607 -","- C202.428 H207.284 I8 N32 Ni12 O42.428 -","4","1","","Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.","High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4590","4598","10.1039/c0dt01705a","","","0.71073","MoKα","","0.0756","0.0565","","","0.17","0.1804","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015542","24.0128","0.0012","15.698","0.0007","15.7309","0.0007","90","","101.01","0.002","90","","5820.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50.5 I1.5 N8.5 Ni3 O11.5 -","- C50 H44 I1.654 N8.68 Ni3 O12.36 -","- C200 H176 I6.616 N34.72 Ni12 O49.44 -","4","1","","Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.","High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4590","4598","10.1039/c0dt01705a","","","0.71073","MoKα","","0.0991","0.0778","","","0.2088","0.2183","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015543","23.105","0.005","22.054","0.005","23.008","0.006","90","","90","","90","","11724","5","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C101 H108 F10.4 N16 Ni6 O21 Si1.6 -","- C103 H88 F10.4 N16 Ni6 O23 Si1.6 -","- C412 H352 F41.6 N64 Ni24 O92 Si6.4 -","4","0.5","","Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.","High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4590","4598","10.1039/c0dt01705a","","","0.71073","MoKα","","0.0748","0.0532","","","0.1612","0.1713","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015544","16.185","0.002","17.072","0.002","20.604","0.003","91.431","0.002","111.262","0.002","116.401","0.002","4632.5","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C192 H142 Mo2 N8 O50 S W12 -","- C192 H136 Mo2 N8 O50 S W12 -","- C192 H136 Mo2 N8 O50 S W12 -","1","0.5","","Yokoyama, Atsutoshi; Kojima, Takahiko; Fukuzumi, Shunichi","Enclosure of a Keggin-type heteropolyoxometalate into a tubular π-space via hydrogen bonds with a nonplanar Mo(v)-porphyrin complex forming a supramolecular assembly.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6445","6450","10.1039/c0dt01708f","","","0.71073","MoKα","","0.0587","0.0398","","","0.0915","0.1058","","","","","","1.026","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015545","38.808","0.005","11.306","0.002","28.942","0.004","90","","90.766","0.002","90","","12698","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H22 Cl2 F52 P2 Pt -","- C51 H22 Cl2 F52 P2 Pt -","- C408 H176 Cl16 F416 P16 Pt8 -","8","1","","Berven, Bradley M.; Koutsantonis, George A.; Skelton, Brian W.; Trengove, Robert D.; White, Allan H.","Highly fluorous complexes of nickel, palladium and platinum: solubility and catalysis in high pressure CO2.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4167","4174","10.1039/c0dt01709d","","","0.71073","MoKα","","0.0869","0.0531","","","0.1224","0.1405","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015546","38.946","0.005","11.314","0.001","28.926","0.004","90","","90.636","0.003","90","","12745","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H25 Cl F52 P2 Pt -","- C52 H25 Cl F52 P2 Pt -","- C416 H200 Cl8 F416 P16 Pt8 -","8","1","","Berven, Bradley M.; Koutsantonis, George A.; Skelton, Brian W.; Trengove, Robert D.; White, Allan H.","Highly fluorous complexes of nickel, palladium and platinum: solubility and catalysis in high pressure CO2.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4167","4174","10.1039/c0dt01709d","","","0.71073","MoKα","","0.1568","0.0784","","","0.1665","0.2024","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015547","14.967","0.004","16.091","0.004","18.659","0.004","72.065","0.009","73.14","0.008","70.837","0.009","3948.2","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H78 Fe3 N O28 -","- C84 H78 Fe3 N O28 -","- C168 H156 Fe6 N2 O56 -","2","1","","Graham, Kristoffer; Ferguson, Alan; Douglas, Fraser J.; Thomas, Lynne H.; Murrie, Mark","Access to an unusual Fe9 core topology from the initial use of tricine in iron(III) cluster chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3125","3127","10.1039/c0dt01712d","","","0.71073","MoKα","","0.1187","0.057","","","","0.1397","","","","","","1.021","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015548","24.5836","0.0005","23.4043","0.0004","32.2296","0.0005","90","","108.272","0.001","90","","17608.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C186 H162 Fe9 N10 O53 -","- C185 H160.5 Fe9 N9.5 O53 -","- C740 H642 Fe36 N38 O212 -","4","1","","Graham, Kristoffer; Ferguson, Alan; Douglas, Fraser J.; Thomas, Lynne H.; Murrie, Mark","Access to an unusual Fe9 core topology from the initial use of tricine in iron(III) cluster chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3125","3127","10.1039/c0dt01712d","","","0.71073","MoKα","","0.097","0.0617","","","","0.1827","","","","","","0.963","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015549","12.3833","0.0013","13.9861","0.0014","18.4732","0.0018","90","","90.136","0.001","90","","3199.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Al N2 P -","- C35 H34 Al N2 P -","- C140 H136 Al4 N8 P4 -","4","1","","Ma, Wen-An; Wang, Li; Wang, Zhong-Xia","Dimethylaluminium iminophosphoranylenamides and iminophosphoranylanilides: synthesis, characterisation, and their controlled ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4669","4677","10.1039/c0dt01713b","","","0.71073","MoKα","","0.122","0.0612","","","0.1311","0.1503","","","","","","1.046","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015550","10.7891","0.0012","15.4618","0.0014","17.1493","0.0018","63.402","0.008","72.448","0.009","89.894","0.009","2409","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C55.04 H52.08 Al N3 O0.26 P2 -","- C55 H52 Al N3 O0.25 P2 -","- C110 H104 Al2 N6 O0.5 P4 -","2","1","","Ma, Wen-An; Wang, Li; Wang, Zhong-Xia","Dimethylaluminium iminophosphoranylenamides and iminophosphoranylanilides: synthesis, characterisation, and their controlled ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4669","4677","10.1039/c0dt01713b","","","0.7107","MoKα","","0.1033","0.0631","","","0.1794","0.2035","","","","","","1.01","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015551","18.322","0.004","8.8509","0.0018","31.688","0.006","90","","95.16","0.03","90","","5117.9","1.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 F24 N8 O P4 Ru -","- C44 H38 F24 N8 O P4 Ru -","- C176 H152 F96 N32 O4 P16 Ru4 -","4","1","","Constable, Edwin C.; Devereux, Michael; Dunphy, Emma L.; Housecroft, Catherine E.; Rudd, Jennifer A.; Zampese, Jennifer A.","Water-soluble alkylated bis{4'-(4-pyridyl)-2,2':6',2''-terpyridine}ruthenium(ii) complexes for use as photosensitizers in water oxidation: a complementary experimental and TD-DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5505","5515","10.1039/c0dt01714k","","","0.71073","MoKα","","0.0935","0.0664","","","0.128","0.1385","","","","","","1.161","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015552","6.9487","0.0014","37.295","0.008","14.782","0.003","90","","94.1","0.03","90","","3821","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B K N6 O S2 -","- C14 H22 B K N6 O S2 -","- C112 H176 B8 K8 N48 O8 S16 -","8","2","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0571","0.0505","","","0.1036","0.1065","","","","","","1.195","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015553","10.8712","0.0002","12.5318","0.0003","13.7319","0.0003","113.484","0.001","100.682","0.001","94.266","0.001","1663.12","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C11.5 H16 B K N6 O0.5 S2 -","- C11.5 H16 B K N6 O0.5 S2 -","- C46 H64 B4 K4 N24 O2 S8 -","4","2","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0597","0.0432","","","0.1204","0.1313","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015554","16.7702","0.0004","11.5282","0.0003","18.6564","0.0003","90","","90","","90","","3606.85","0.14","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H16 B K N8 S -","- C13 H16 B K N8 S -","- C104 H128 B8 K8 N64 S8 -","8","1","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0522","0.0418","","","0.0907","0.0975","","","","","","1.065","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015555","15.2566","0.0002","9.7542","0.0002","17.7813","0.0003","90","","93.701","0.001","90","","2640.62","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B Cl2 Ir N6 S2 -","- C22 H32 B Cl2 Ir N6 S2 -","- C88 H128 B4 Cl8 Ir4 N24 S8 -","4","1","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0302","0.0235","","","0.0476","0.0495","","","","","","1.06","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015556","8.8351","0.0002","10.3766","0.0002","13.2958","0.0004","73.239","0.001","84.423","0.001","85.728","0.001","1160.24","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H20 B Cl2 Ir N6 O2 S2 -","- C16 H20 B Cl2 Ir N6 O2 S2 -","- C32 H40 B2 Cl4 Ir2 N12 O4 S4 -","2","1","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0479","0.0388","","","0.0749","0.0785","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015557","11.7634","0.0004","12.839","0.0005","14.8572","0.0006","85.971","0.001","72.129","0.001","67.116","0.002","1964.45","0.13","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C34 H37 B Cl4 Ir N6 O P S2 -","- C34 H37 B Cl4 Ir N6 O P S2 -","- C68 H74 B2 Cl8 Ir2 N12 O2 P2 S4 -","2","1","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0499","0.0394","","","0.0821","0.0873","","","","","","1.092","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015558","9.5512","0.0001","17.381","0.0002","20.3269","0.0002","90","","90","","90","","3374.46","0.06","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 B Cl2 Ir N6 O P S2 -","- C31 H31 B Cl2 Ir N6 O P S2 -","- C124 H124 B4 Cl8 Ir4 N24 O4 P4 S8 -","4","1","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0231","0.0208","","","0.0417","0.0423","","","","","","0.889","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015559","10.8535","0.0018","14.237","0.003","14.797","0.003","113.731","0.007","91.748","0.007","108.989","0.007","1944.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 B Cl5 Ir2 N6 S3 -","- C30 H44 B Cl5 Ir2 N6 S3 -","- C60 H88 B2 Cl10 Ir4 N12 S6 -","2","1","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0354","0.0253","","","0.0539","0.0575","","","","","","1.03","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015560","13.454","0.003","11.491","0.002","13.887","0.003","90","","96.526","0.004","90","","2133","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 Co2 O4 -","- C58 H44 Co2 O4 -","- C116 H88 Co4 O8 -","2","0.5","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0798","0.058","","","0.1241","0.1318","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015561","10.7861","0.0007","9.7891","0.0006","23.5135","0.0015","90","","95.187","0.001","90","","2472.5","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H58 Co2 N2 O2 -","- C66 H58 Co2 N2 O2 -","- C132 H116 Co4 N4 O4 -","2","1","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0482","0.0425","","","0.0944","0.097","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015562","14.1031","0.0008","12.7228","0.0007","16.6008","0.001","90","","109.272","0.001","90","","2811.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H60 Co2 N2 O4 Pd -","- C68 H60 Co2 N2 O4 Pd -","- C136 H120 Co4 N4 O8 Pd2 -","2","1","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0405","0.0382","","","0.0823","0.0833","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015563","14.0227","0.0011","12.1489","0.001","16.287","0.0013","90","","107.687","0.002","90","","2643.5","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H57 Cl Co2 N2 O2 Pd -","- C66 H56.99 Cl Co2 N2 O2 Pd -","- C132 H113.98 Cl2 Co4 N4 O4 Pd2 -","2","1","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0653","0.0514","","","0.0831","0.0873","","","","","","0.879","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015564","10.876","0.003","11.351","0.004","11.373","0.004","84.505","0.006","63.09","0.005","62.221","0.005","1095.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 Co2 N2 O2 -","- C60 H46 Co2 N2 O2 -","- C60 H46 Co2 N2 O2 -","1","0.5","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0721","0.0553","","","0.1093","0.1166","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015565","15.7316","0.0015","11.017","0.0011","21.238","0.003","90","","93.824","0.001","90","","3672.7","0.7","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C54 H40 Co2 -","- C54 H40 Co2 -","- C216 H160 Co8 -","4","0.5","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0588","0.054","","","0.1286","0.1317","","","","","","1.215","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015566","11.236","0.004","13.546","0.004","20.574","0.006","85.371","0.006","74.27","0.006","79.674","0.006","2963.6","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H56 Cl3 Co3 -","- C76 H56 Cl3 Co3 -","- C152 H112 Cl6 Co6 -","2","1","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.1014","0.0752","","","0.1697","0.182","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015567","24.4761","0.0011","24.4761","0.0011","24.4761","0.0011","90","","90","","90","","14663.1","1.1","180","2","180","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C49 H48 Gd3 N9 O39.5 S3.5 -","- C49.02 H48 Gd3 N9 O39.51 S3.51 -","- C392.16 H384 Gd24 N72 O316.08 S28.08 -","8","0.333333","","Zebret, Soumaila; Torres, Elena; Terreno, Enzo; Guénée, Laure; Senatore, Carmine; Hamacek, Josef","Structure, stability and relaxivity of trinuclear triangular complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4284","4290","10.1039/c0dt01739f","","","0.71069","MoKα","","0.054","0.0444","","","0.1261","0.1314","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015568","8.86","0.0005","11.289","0.0005","14.651","0.0007","80.751","0.003","86.603","0.002","69.248","0.003","1352.51","0.12","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C20.7 H22.8 Cu F6 N4 O6.7 S2 -","- C20.7 H22.8 Cu F6 N4 O6.7 S2 -","- C41.4 H45.6 Cu2 F12 N8 O13.4 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0815","0.0533","","","0.1296","0.1481","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015569","8.842","0.0003","11.652","0.0004","14.843","0.0005","98.123","0.002","93.505","0.002","111.186","0.002","1401.1","0.09","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C21.7 H25.1 Cu F6 N4 O6.85 S2 -","- C21.7 H25.1 Cu F6 N4 O6.85 S2 -","- C43.4 H50.2 Cu2 F12 N8 O13.7 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0725","0.0575","","","0.134","0.1449","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015570","9.5699","0.0003","11.4168","0.0003","13.9033","0.0004","76.376","0.002","82.061","0.001","88.308","0.001","1462.14","0.07","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H28 Cu F6 N4 O7 S2 -","- C23 H28 Cu F6 N4 O7 S2 -","- C46 H56 Cu2 F12 N8 O14 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0754","0.0528","","","0.1213","0.1343","","","","","","1.029","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015571","8.89","0.0002","11.479","0.0003","15.482","0.0005","111.62","0.001","101.199","0.001","93.665","0.001","1424.81","0.07","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C21 H22.5 Cu F6 N4 O6.5 S2 -","- C21 H22.5 Cu F6 N4 O6.5 S2 -","- C42 H45 Cu2 F12 N8 O13 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0922","0.0585","","","0.1375","0.1559","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015572","9.545","0.0008","11.426","0.001","13.698","0.0012","78.636","0.006","83.184","0.005","88.992","0.005","1454.3","0.2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C22 H21 Cu F9 N4 O7 S2 -","- C22 H21 Cu F9 N4 O7 S2 -","- C44 H42 Cu2 F18 N8 O14 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0869","0.0548","","","0.1137","0.1313","","","","","","1.048","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015573","21.106","0.005","21.106","0.005","8.547","0.003","90","","90","","90","","3807.4","1.8","150","2","150","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 Cu F6 N4 O8 S2 -","- C36 H40 Cu F6 N4 O8 S2 -","- C144 H160 Cu4 F24 N16 O32 S8 -","4","0.5","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.6889","Synchrotron","","0.0435","0.0413","","","0.094","0.0958","","","","","","1.139","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015574","8.859","0.0002","11.253","0.0003","14.779","0.0005","80.18","0.001","86.856","0.001","68.96","0.001","1354.92","0.07","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C21 H24 Cu F6 N4 O7 S2 -","- C21 H24 Cu F6 N4 O7 S2 -","- C42 H48 Cu2 F12 N8 O14 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.049","0.0416","","","0.1024","0.108","","","","","","1.023","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015575","9.552","0.0002","27.025","0.001","10.151","0.0004","90","","97.143","0.002","90","","2600.07","0.15","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H24 Cu F6 N4 O6 S2 -","- C20 H24 Cu F6 N4 O6 S2 -","- C80 H96 Cu4 F24 N16 O24 S8 -","4","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0711","0.0462","","","0.0959","0.1061","","","","","","1.039","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015576","9.629","0.0003","11.788","0.0005","13.824","0.0005","99.918","0.002","105.773","0.002","96.22","0.001","1467.4","0.1","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H28 Cu F6 N4 O7 S2 -","- C23 H28 Cu F6 N4 O7 S2 -","- C46 H56 Cu2 F12 N8 O14 S4 -","2","2","","Cooper, Christine J.; Jones, Matthew D.; Brayshaw, Simon K.; Sonnex, Benjamin; Russell, Mark L.; Mahon, Mary F.; Allan, David R.","When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3677","3682","10.1039/c0dt01740j","","","0.71073","MoKα","","0.0438","0.0341","","","0.0774","0.083","","","","","","1.042","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015577","27.7908","0.0014","27.9903","0.0015","31.269","0.002","90","","90","","90","","24323","2","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C156 H338 Fe16 Gd4 N34 O104 -","- C144 H288 Fe16 Gd4 N24 O80 -","- C576 H1152 Fe64 Gd16 N96 O320 -","4","0.25","","Baniodeh, Amer; Hewitt, Ian J.; Mereacre, Valeriu; Lan, Yanhua; Novitchi, Ghenadie; Anson, Christopher E.; Powell, Annie K.","Heterometallic 20-membered {Fe16Ln4} (Ln = Sm, Eu, Gd, Tb, Dy, Ho) metallo-ring aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4080","4086","10.1039/c0dt01742f","","","0.71073","MoKα","","0.0697","0.0505","","","0.1172","0.1212","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015578","27.7714","0.0011","28.0818","0.0011","30.6492","0.0013","90","","90","","90","","23902.4","1.7","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C156 H338 Dy4 Fe16 N34 O104 -","- C156 H288 Dy4 Fe16 N34 O104 -","- C624 H1152 Dy16 Fe64 N136 O416 -","4","0.25","","Baniodeh, Amer; Hewitt, Ian J.; Mereacre, Valeriu; Lan, Yanhua; Novitchi, Ghenadie; Anson, Christopher E.; Powell, Annie K.","Heterometallic 20-membered {Fe16Ln4} (Ln = Sm, Eu, Gd, Tb, Dy, Ho) metallo-ring aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4080","4086","10.1039/c0dt01742f","","","0.71073","MoKα","","0.0598","0.0508","","","0.1713","0.1858","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015579","27.7369","0.0019","28.1589","0.0019","30.573","0.002","90","","90","","90","","23879","3","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C158 H341 Eu4 Fe16 N35 O104 -","- C158 H288 Eu4 Fe16 N35 O104 -","- C632 H1152 Eu16 Fe64 N140 O416 -","4","0.25","","Baniodeh, Amer; Hewitt, Ian J.; Mereacre, Valeriu; Lan, Yanhua; Novitchi, Ghenadie; Anson, Christopher E.; Powell, Annie K.","Heterometallic 20-membered {Fe16Ln4} (Ln = Sm, Eu, Gd, Tb, Dy, Ho) metallo-ring aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4080","4086","10.1039/c0dt01742f","","","0.71073","MoKα","","0.0628","0.0496","","","0.15","0.1586","","","","","","1.201","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015580","13.5263","0.0002","17.6262","0.0003","19.4449","0.0004","96.8975","0.0015","97.5228","0.0015","107.783","0.0015","4313.12","0.14","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C87 H76 Cl2 F12 Fe2 N2 Ni2 P6 S4 -","- C87.001 H76.002 Cl2.002 F12 Fe2 N2 Ni2 P6 S4 -","- C174.002 H152.004 Cl4.004 F24 Fe4 N4 Ni4 P12 S8 -","2","1","","Oliver, Katie; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D E T","Multimetallic complexes of group 10 and 11 metals based on polydentate dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5852","5864","10.1039/c0dt01745k","","","1.54184","CuKα","","0.0467","0.0409","","","0.1135","0.1168","","","","","","1.105","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015581","13.822","0.0002","17.8518","0.0003","19.3592","0.0003","98.2051","0.0014","96.9952","0.0014","108.462","0.0017","4413.11","0.13","173","","173","","","","","","","","","10","P -1","-P 1","2","","","","- C89 H82 Cl2 F12 Fe2 N2 O P6 Pd2 S4 -","- C89 H81 Cl2 F12 Fe2 N2 O P6 Pd2 S4 -","- C178 H162 Cl4 F24 Fe4 N4 O2 P12 Pd4 S8 -","2","1","","Oliver, Katie; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D E T","Multimetallic complexes of group 10 and 11 metals based on polydentate dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5852","5864","10.1039/c0dt01745k","","","0.71073","MoKα","","0.0621","0.0379","","","0.1024","0.1072","","","","","","0.974","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015582","9.0346","0.0003","12.1805","0.0003","14.0257","0.0004","93.738","0.002","105.979","0.003","102.402","0.003","1436.45","0.08","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H55 Au2 Cl4 N2 O0.5 P2 S4 -","- C57 H54.5 Au2 Cl4 N2 O0.5 P2 S4 -","- C57 H54.5 Au2 Cl4 N2 O0.5 P2 S4 -","1","0.5","","Oliver, Katie; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D E T","Multimetallic complexes of group 10 and 11 metals based on polydentate dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5852","5864","10.1039/c0dt01745k","","","0.71073","MoKα","","0.0497","0.0344","","","0.0816","0.0833","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015583","6.41819","0.00012","23.1984","0.0004","10.39421","0.00017","90","","94.3353","0.0016","90","","1543.18","0.05","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Au2 N2 P2 S4 -","- C24 H36 Au2 N2 P2 S4 -","- C48 H72 Au4 N4 P4 S8 -","2","0.5","","Oliver, Katie; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D E T","Multimetallic complexes of group 10 and 11 metals based on polydentate dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5852","5864","10.1039/c0dt01745k","","","0.71073","MoKα","","0.029","0.0184","","","0.0332","0.034","","","","","","0.919","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015584","14.365","0.002","14.473","0.002","16.09","0.003","115.254","0.013","102.58","0.02","105.467","0.017","2696.7","1.1","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H87.5 Eu Mn6 N12.5 Na2 O30.5 -","- C89 H82 Eu Mn6 N12.5 Na2 O30.5 -","- C89 H82 Eu Mn6 N12.5 Na2 O30.5 -","1","0.5","","Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng","Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4155","4161","10.1039/c0dt01746a","","","0.71073","MoKα","","0.0747","0.0661","","","0.1853","0.1923","","","","","","1.066","","","","has coordinates,has disorder","291143","2024-04-09","08:47:55",""
"7015585","14.43","0.003","14.485","0.003","16.11","0.003","115.34","0.03","102.79","0.03","105.25","0.03","2712.3","1.7","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H87.5 Dy Mn6 N12.5 Na2 O30.5 -","- C89 H82 Dy Mn6 N12.5 Na2 O30.5 -","- C89 H82 Dy Mn6 N12.5 Na2 O30.5 -","1","0.5","","Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng","Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4155","4161","10.1039/c0dt01746a","","","0.71073","MoKα","","0.0627","0.056","","","0.1597","0.1676","","","","","","1.049","","","","has coordinates,has disorder","291143","2024-04-09","08:48:04",""
"7015586","14.262","0.003","14.454","0.003","15.964","0.003","115.13","0.03","102.17","0.03","105.48","0.03","2665.8","1.6","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H87.5 Mn6 N12.5 Na2 O30.5 Tb -","- C89 H82 Mn6 N12.5 Na2 O30.5 Tb -","- C89 H82 Mn6 N12.5 Na2 O30.5 Tb -","1","0.5","","Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng","Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4155","4161","10.1039/c0dt01746a","","","0.71073","MoKα","","0.0977","0.0836","","","0.2316","0.2513","","","","","","1.049","","","","has coordinates,has disorder","291143","2024-04-09","08:48:12",""
"7015587","14.3781","0.0017","14.4587","0.0016","16.071","0.002","115.317","0.01","102.619","0.016","105.415","0.013","2691.7","0.8","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H87.5 Gd Mn6 N12.5 Na2 O30.5 -","- C89 H82 Gd Mn6 N12.5 Na2 O30.5 -","- C89 H82 Gd Mn6 N12.5 Na2 O30.5 -","1","0.5","","Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng","Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4155","4161","10.1039/c0dt01746a","","","0.71073","MoKα","","0.063","0.058","","","0.169","0.1736","","","","","","1.041","","","","has coordinates,has disorder","291143","2024-04-09","08:48:20",""
"7015588","12.284","0.0002","13.229","0.0002","18.391","0.0003","90","","90","","90","","2988.63","0.08","293","2","293","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C13 H24 F3 N O2 -","- C13 H24 F3 N O2 -","- C104 H192 F24 N8 O16 -","8","1","","Yang, Pei-Pei; Wang, Xiao-Ling; Li, Li-Cun; Liao, Dai-Zheng","Synthesis, structure and magnetic properties of a novel family of heterometallic nonanuclear Na(I)2Mn(III)6Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4155","4161","10.1039/c0dt01746a","","","0.71073","MoKα","","0.0911","0.0789","","","0.2211","0.2428","","","","","","1.062","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015589","23.374","0.003","23.374","0.003","23.374","0.003","90","","90","","90","","12770","3","293","2","293","2","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C54 H62 Cl4 N20 O2 Ru Zn4 -","- C54 H62.04 Cl4 N20 O2.04 Ru Zn4 -","- C432 H496.32 Cl32 N160 O16.32 Ru8 Zn32 -","8","0.0416667","","Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre, German; Schüttrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk","Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn(4)Cl(4)(Me(2)bta)(6)] (M(II) = Zn or Ru) featuring long-lived excited electronic states.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5926","5938","10.1039/c0dt01750g","","x-ray","0.71073","MoKα","","0.0302","0.0236","","","0.0585","0.06","","","","","","1.026","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015590","14.937","0.003","14.937","0.003","12.059","0.003","90","","90","","90","","2690.5","1","220","2","220","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 Cl4 N18 Zn5 -","- C12 H12 Cl4 N18 Zn5 -","- C48 H48 Cl16 N72 Zn20 -","4","0.25","","Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre, German; Schüttrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk","Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn(4)Cl(4)(Me(2)bta)(6)] (M(II) = Zn or Ru) featuring long-lived excited electronic states.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5926","5938","10.1039/c0dt01750g","","x-ray","0.71073","mokα","","0.0291","0.0225","","","0.0477","0.0495","","","","","","1.048","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015591","5.971","0.01","6.273","0.009","9.132","0.015","90","","107.75","0.02","90","","325.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- B Bi Pb S4 -","- B Bi Pb S4 -","- B2 Bi2 Pb2 S8 -","2","0.5","","Geng, Lei; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Ye-Yu; Luo, Zhong-Zhen; Zhang, Hao; Lin, Chen-Sheng; He, Zhang-Zhen","Syntheses, crystal structures and characterizations of two new quaternary thioborates: PbMBS4 (M = Sb, Bi).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4474","4479","10.1039/c0dt01751e","","","0.71073","MoKα","","0.043","0.0355","","","0.0755","0.0791","","","","","","1.141","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015592","5.9532","0.0018","6.2031","0.0013","9.25","0.003","90","","108.2","0.016","90","","324.5","0.16","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- B Pb S4 Sb -","- B Pb S4 Sb -","- B2 Pb2 S8 Sb2 -","2","0.5","","Geng, Lei; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Ye-Yu; Luo, Zhong-Zhen; Zhang, Hao; Lin, Chen-Sheng; He, Zhang-Zhen","Syntheses, crystal structures and characterizations of two new quaternary thioborates: PbMBS4 (M = Sb, Bi).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4474","4479","10.1039/c0dt01751e","","","0.71073","MoKα","","0.0455","0.0373","","","0.0778","0.0828","","","","","","1.124","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015593","7.5563","0.0015","6.4524","0.0013","14.574","0.004","90","","121.23","0.02","90","","607.6","0.3","93","2","93","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Al4 Ba Se7 -","- Al4 Ba Se7 -","- Al8 Ba2 Se14 -","2","1","","Mei, Dajiang; Yin, Wenlong; Bai, Lei; Lin, Zheshuai; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","BaAl4Se7: a new infrared nonlinear optical material with a large band gap.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3610","3615","10.1039/c0dt01756f","","","0.71073","MoKα","","0.0524","0.0464","","","0.0888","0.0908","","","","","","1.009","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015594","15.3381","0.0007","15.3811","0.0007","20.1461","0.0009","73.264","0.001","69.925","0.001","83.937","0.001","4274.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H43.5 Cl2 Fe N10.5 O8.5 -","- C39.5 H43.5 Cl2 Fe N10.5 O8.5 -","- C158 H174 Cl8 Fe4 N42 O34 -","4","2","","Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng","Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6433","6439","10.1039/c0dt01760d","","","0.71073","MoKα","","0.1581","0.0995","","","0.2159","0.2493","","","","","","1.087","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015595","11.8139","0.0013","15.555","0.002","16.3662","0.0019","86.034","0.004","71.979","0.004","89.103","0.005","2853.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H58 Cl3 Fe N12 O14 -","- C46 H58 Cl3 Fe N12 O14 -","- C92 H116 Cl6 Fe2 N24 O28 -","2","1","","Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng","Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6433","6439","10.1039/c0dt01760d","","","0.71075","MoKα","","0.0676","0.0601","","","0.1499","0.1555","","","","","","1.062","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015596","12.386","0.003","14.209","0.002","14.775","0.003","73.413","0.016","72.856","0.014","75.288","0.016","2340.1","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H49 Cl3 Fe N11 O13 -","- C42 H49 Cl3 Fe N11 O13 -","- C84 H98 Cl6 Fe2 N22 O26 -","2","1","","Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng","Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6433","6439","10.1039/c0dt01760d","","","0.71073","MoKα","","0.0892","0.0777","","","0.2217","0.2325","","","","","","1.063","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015597","12.11","0.002","12.182","0.003","17.153","0.003","93.438","0.004","92.457","0.003","91.588","0.004","2522.4","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H45 Cl2 Fe N10 O10 -","- C39 H45 Cl2 Fe N10 O10 -","- C78 H90 Cl4 Fe2 N20 O20 -","2","1","","Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng","Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6433","6439","10.1039/c0dt01760d","","","0.71073","MoKα","","0.1212","0.0953","","","0.2601","0.2883","","","","","","1.073","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015598","12.203","0.004","13.723","0.005","19.511","0.006","95.8751","0.0019","102.746","0.003","114.876","0.004","2820","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H48 Cl3 Fe N10 O13 -","- C41 H48 Cl3 Fe N10 O13 -","- C82 H96 Cl6 Fe2 N20 O26 -","2","1","","Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng","Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6433","6439","10.1039/c0dt01760d","","","0.71073","MoKα","","0.0712","0.0643","","","0.1769","0.1835","","","","","","1.071","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015599","5.5473","0.0005","9.9914","0.0009","7.205","0.0006","90","","107.822","0.002","90","","380.18","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- F3 H4 O2 V -","- F3 H4 O2 V -","- F12 H16 O8 V4 -","4","1","","Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.","Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4324","4331","10.1039/c0dt01765e","","","0.7749","synchrotron","","0.0401","0.0372","","","0.1181","0.122","","","","","","1.103","","","","has coordinates","179859","2020-10-21","18:00:00",""
"7015600","10.256","0.003","7.899","0.004","9.157","0.005","90","","90","","90","","741.8","0.6","125","2","125","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H12 F5 N2 V -","- C2 H12 F5 N2 V -","- C8 H48 F20 N8 V4 -","4","0.5","","Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.","Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4324","4331","10.1039/c0dt01765e","","","0.71073","MoKα","","0.1226","0.1164","","","0.3419","0.3474","","","","","","1.168","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015601","6.932","0.006","7.822","0.006","8.129","0.001","110.32","0.03","90.12","0.03","90.95","0.02","413.3","0.5","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H14 F4 N2 O2 V -","- C2 H14 F4 N2 O2 V -","- C4 H28 F8 N4 O4 V2 -","2","1","","Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.","Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4324","4331","10.1039/c0dt01765e","","","0.71073","MoKα","","0.0949","0.0897","","","0.1916","0.1972","","","","","","1.193","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015602","7.236","0.006","9.073","0.007","12.154","0.009","74.189","0.013","85.589","0.011","86.022","0.011","764.5","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H24 F8 N4 O2 V2 -","- C4 H24 F8 N4 O2 V2 -","- C8 H48 F16 N8 O4 V4 -","2","1","","Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.","Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4324","4331","10.1039/c0dt01765e","","","0.7749","synchrotron","","0.0994","0.0634","","","0.1467","0.1612","","","","","","1.029","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015603","14.6312","0.0008","5.7257","0.0003","14.6306","0.0008","90","","92.216","0.001","90","","1224.75","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 F4 N2 O V -","- C2 H10 F4 N2 O V -","- C16 H80 F32 N16 O8 V8 -","8","2","","Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.","Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4324","4331","10.1039/c0dt01765e","","","0.7749","synchrotron","","0.0344","0.0306","","","0.0812","0.0833","","","","","","1.046","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015604","12.733","0.0005","12.733","0.0005","8.03","0.0004","90","","90","","90","","1301.9","0.1","93","2","93","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C2 H10 F4 N2 O V -","- C2 H10 F4 N2 O V -","- C16 H80 F32 N16 O8 V8 -","8","0.5","","Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E.","Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4324","4331","10.1039/c0dt01765e","","","0.71073","MoKα","","0.0665","0.0541","","","0.1305","0.1354","","","","","","1.263","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015605","12.2567","0.0007","17.5161","0.001","19.6579","0.0011","97.503","0.001","106.886","0.002","99.215","0.001","3915.6","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C164 H136 Cu4 Fe8 O26 P10 -","- C164 H136 Cu4 Fe8 O26 P10 -","- C164 H136 Cu4 Fe8 O26 P10 -","1","0.5","","Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero","Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5464","5475","10.1039/c0dt01766c","","","0.71073","Mo-Kα","","","","","","","","","","1.046","","","1.046","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015606","10.2603","0.0008","11.0569","0.0009","14.175","0.0011","103.989","0.001","104.349","0.001","93.2","0.001","1500.2","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 Cu2 Fe8 N4 O24 -","- C46 H44 Cu2 Fe8 N4 O24 -","- C46 H44 Cu2 Fe8 N4 O24 -","1","0.5","","Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero","Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5464","5475","10.1039/c0dt01766c","","","0.71073","Mo-Kα","","","","","","","","","","0.99","","","0.99","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015607","14.6999","0.0009","12.4817","0.0007","18.7043","0.0011","90","","106.51","0.001","90","","3290.4","0.3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cu Fe4 N2 O12 -","- C26 H25 Cu Fe4 N2 O12 -","- C104 H100 Cu4 Fe16 N8 O48 -","4","1","","Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero","Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5464","5475","10.1039/c0dt01766c","","","0.71073","Mo-Kα","","","","","","","","","","0.96","","","0.96","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015608","20.3661","0.001","18.7116","0.0009","28.4567","0.0014","90","","95.72","0.001","90","","10790.3","0.9","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 Cu3 Fe4 N2 O12 P S4 -","- C47 H40 Cu3 Fe4 N2 O12 P S4 -","- C376 H320 Cu24 Fe32 N16 O96 P8 S32 -","8","1","","Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero","Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5464","5475","10.1039/c0dt01766c","","","0.71073","Mo-Kα","","","","","","","","","","0.975","","","0.975","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015609","13.9712","0.0008","26.587","0.0015","20.2166","0.0011","90","","94.27","0.001","90","","7488.7","0.7","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H54 Cl2 Cu6 Fe8 N10 O24 -","- C55 H52 Cl2 Cu6 Fe8 N10 O24 -","- C220 H208 Cl8 Cu24 Fe32 N40 O96 -","4","1","","Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero","Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5464","5475","10.1039/c0dt01766c","","","0.71073","Mo-Kα","","","","","","","","","","0.978","","","0.978","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015610","11.1246","0.0013","10.9646","0.0009","24.403","0.003","90","","92.472","0.01","90","","2973.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 Cl2 N3 O3 Ru -","- C26 H41 Cl2 N3 O3 Ru -","- C104 H164 Cl8 N12 O12 Ru4 -","4","1","","Monney, Angèle; Venkatachalam, Galmari; Albrecht, Martin","Synthesis and catalytic activity of histidine-based NHC ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2716","2719","10.1039/c0dt01768j","","","0.71073","MoKα","","0.1867","0.0679","","","0.1384","0.1717","","","","","","0.758","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015611","16.6452","0.0007","7.1043","0.0003","11.6029","0.0005","90","","121.11","0.002","90","","1174.74","0.09","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Au2 Br4 N8 Zn -","- C12 H10 Au2 Br4 N8 Zn -","- C24 H20 Au4 Br8 N16 Zn2 -","2","0.25","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermally triggered reductive elimination of bromine from Au(III) as a path to Au(I)-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4140","4146","10.1039/c0dt01772h","","","0.71073","MoKα","","0.0691","0.0552","","0.1458","0.1003","0.0987","","","","","","0.9727","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015612","11.4055","0.0004","17.3296","0.0006","7.0938","0.0003","90","","90","","90","","1402.11","0.09","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C8 H4 Au2 N6 Zn -","- C8 H4 Au2 N6 Zn -","- C32 H16 Au8 N24 Zn4 -","4","0.125","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermally triggered reductive elimination of bromine from Au(III) as a path to Au(I)-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4140","4146","10.1039/c0dt01772h","","","0.71073","MoKα","","0.0469","0.0322","","0.0514","0.0389","0.0386","","","","","","0.968","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015613","11.45","0.003","11.467","0.003","20.944","0.005","90","","90","","90","","2749.9","1.2","296","2","296","2","","","","","","","","6","P c c m","-P 2 2c","49","","","","- C42 H52 Au3 Br6 Co N11 -","- C42 H52 Au3 Br6 Co N11 -","- C84 H104 Au6 Br12 Co2 N22 -","2","0.25","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermally triggered reductive elimination of bromine from Au(III) as a path to Au(I)-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4140","4146","10.1039/c0dt01772h","","","0.71073","MoKα","","0.0838","0.0386","","0.0611","0.0378","0.0369","","","","","","1.0261","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015614","11.4507","0.0019","11.4635","0.0019","21.121","0.003","90","","90","","90","","2772.5","0.8","296","2","296","2","","","","","","","","6","P c c m","-P 2 2c","49","","","","- C42 H52 Au3 Br6 N11 Zn -","- C42 H52 Au3 Br6 N11 Zn -","- C84 H104 Au6 Br12 N22 Zn2 -","2","0.25","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermally triggered reductive elimination of bromine from Au(III) as a path to Au(I)-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4140","4146","10.1039/c0dt01772h","","","0.71073","MoKα","","0.0822","0.0379","","0.0582","0.0364","0.0349","","","","","","1.0176","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015615","11.5913","0.0001","9.9055","0.0001","14.6572","0.0002","90","","90","","90","","1682.9","0.03","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13.32 H8 Au2 Br0.68 N5.32 Zn -","- C13.327 H8 Au2 Br0.673 N5.327 Zn -","- C53.308 H32 Au8 Br2.692 N21.308 Zn4 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Thermally triggered reductive elimination of bromine from Au(III) as a path to Au(I)-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4140","4146","10.1039/c0dt01772h","","","0.71073","MoKα","","0.0605","0.0301","","0.0505","0.0362","0.0354","","","","","","1.0723","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015616","9.2611","0.0012","17.378","0.002","18.191","0.003","116.196","0.001","91.363","0.002","104.822","0.003","2507.8","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H71 N16 Ni O3 W -","- C38 H71 N16 Ni O3 W -","- C76 H142 N32 Ni2 O6 W2 -","2","1","","Yuan, Ai-Hua; Qian, Su-Yan; Liu, Wen-Yan; Zhou, Hu; Song, You","Two octacyanometallate-based Ni(ii)W(v) bimetallic assemblies with metamagnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5302","5306","10.1039/c0dt01773f","","","0.71073","MoKα","","0.0538","0.0463","","","0.1002","0.1015","","","","","","1.078","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015617","9.0767","0.0009","27.661","0.003","16.8542","0.0017","90","","92.062","0.002","90","","4228.9","0.8","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H109 N34 Ni3 O4 W2 -","- C55 H109 N34 Ni3 O4 W2 -","- C110 H218 N68 Ni6 O8 W4 -","2","0.5","","Yuan, Ai-Hua; Qian, Su-Yan; Liu, Wen-Yan; Zhou, Hu; Song, You","Two octacyanometallate-based Ni(ii)W(v) bimetallic assemblies with metamagnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5302","5306","10.1039/c0dt01773f","","","0.71073","MoKα","","0.066","0.049","","","0.0992","0.1023","","","","","","1.028","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015618","28.085","0.009","9.131","0.003","17.632","0.006","90","","126.854","0.003","90","","3618","2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 La N O12 P2 -","- C11 H18 La N O12 P2 -","- C88 H144 La8 N8 O96 P16 -","8","1","","Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Liu, Zhong-Min; Huang, Cui-Ying; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Chen, Kai","Hydrothermal synthesis, crystal structures, and luminescent properties of a series of new lanthanide oxalatophosphonates with a layer architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5584","5590","10.1039/c0dt01781g","","","0.71073","MoKα","","0.0571","0.0412","","","0.0943","0.1038","","","","","","1","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015619","28.09","0.003","9.0958","0.0009","17.5746","0.0017","90","","126.863","0.001","90","","3592.6","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 Ce N O12 P2 -","- C11 H18 Ce N O12 P2 -","- C88 H144 Ce8 N8 O96 P16 -","8","1","","Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Liu, Zhong-Min; Huang, Cui-Ying; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Chen, Kai","Hydrothermal synthesis, crystal structures, and luminescent properties of a series of new lanthanide oxalatophosphonates with a layer architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5584","5590","10.1039/c0dt01781g","","","0.71073","MoKα","","0.0341","0.0254","","","0.0542","0.0576","","","","","","1.022","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015620","28.101","0.004","9.0522","0.0013","17.536","0.003","90","","126.941","0.002","90","","3565.3","0.9","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N O12 P2 Pr -","- C11 H18 N O12 P2 Pr -","- C88 H144 N8 O96 P16 Pr8 -","8","1","","Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Liu, Zhong-Min; Huang, Cui-Ying; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Chen, Kai","Hydrothermal synthesis, crystal structures, and luminescent properties of a series of new lanthanide oxalatophosphonates with a layer architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5584","5590","10.1039/c0dt01781g","","","0.71073","MoKα","","0.0622","0.0392","","","0.0696","0.0785","","","","","","0.996","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015621","28.155","0.005","9.0228","0.0014","17.505","0.003","90","","126.884","0.002","90","","3556.9","1","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N Nd O12 P2 -","- C11 H18 N Nd O12 P2 -","- C88 H144 N8 Nd8 O96 P16 -","8","1","","Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Liu, Zhong-Min; Huang, Cui-Ying; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Chen, Kai","Hydrothermal synthesis, crystal structures, and luminescent properties of a series of new lanthanide oxalatophosphonates with a layer architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5584","5590","10.1039/c0dt01781g","","","0.71073","MoKα","","0.0756","0.0439","","","0.0785","0.0907","","","","","","0.973","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015622","28.21","0.005","8.9618","0.0015","17.405","0.003","90","","126.717","0.002","90","","3527.2","1.1","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N O12 P2 Sm -","- C11 H18 N O12 P2 Sm -","- C88 H144 N8 O96 P16 Sm8 -","8","1","","Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Liu, Zhong-Min; Huang, Cui-Ying; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Chen, Kai","Hydrothermal synthesis, crystal structures, and luminescent properties of a series of new lanthanide oxalatophosphonates with a layer architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5584","5590","10.1039/c0dt01781g","","","0.71073","MoKα","","0.074","0.045","","","0.0833","0.0955","","","","","","0.999","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015623","28.298","0.003","8.9336","0.0009","17.3809","0.0018","90","","126.592","0.001","90","","3527.9","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 Eu N O12 P2 -","- C11 H18 Eu N O12 P2 -","- C88 H144 Eu8 N8 O96 P16 -","8","1","","Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Liu, Zhong-Min; Huang, Cui-Ying; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Chen, Kai","Hydrothermal synthesis, crystal structures, and luminescent properties of a series of new lanthanide oxalatophosphonates with a layer architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5584","5590","10.1039/c0dt01781g","","","0.71073","MoKα","","0.0409","0.029","","","0.0612","0.0664","","","","","","1.001","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015624","28.425","0.017","8.924","0.005","17.391","0.01","90","","126.617","0.007","90","","3541","4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 Gd N O12 P2 -","- C11 H18 Gd N O12 P2 -","- C88 H144 Gd8 N8 O96 P16 -","8","1","","Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Liu, Zhong-Min; Huang, Cui-Ying; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Chen, Kai","Hydrothermal synthesis, crystal structures, and luminescent properties of a series of new lanthanide oxalatophosphonates with a layer architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5584","5590","10.1039/c0dt01781g","","","0.71073","MoKα","","0.0685","0.0445","","","0.0923","0.1033","","","","","","1.009","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015625","28.391","0.007","8.89","0.002","17.309","0.004","90","","126.43","0.004","90","","3515","1.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N O12 P2 Tb -","- C11 H18 N O12 P2 Tb -","- C88 H144 N8 O96 P16 Tb8 -","8","1","","Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Liu, Zhong-Min; Huang, Cui-Ying; Wang, Wei-Nan; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Chen, Kai","Hydrothermal synthesis, crystal structures, and luminescent properties of a series of new lanthanide oxalatophosphonates with a layer architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5584","5590","10.1039/c0dt01781g","","","0.71073","MoKα","","0.109","0.0489","","","0.0775","0.0939","","","","","","0.975","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015626","11.3926","0.0004","14.0042","0.0004","18.9125","0.0008","99.963","0.002","91.366","0.002","109.306","0.002","2794.08","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 N6 P2 Pd S2 -","- C28 H22 N6 P2 Pd S2 -","- C112 H88 N24 P8 Pd4 S8 -","4","2","","Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre","Chelating or bridging Pd(ii) and Pt(ii) metalloligands from the functional phosphine ligand N-(diphenylphosphino)-1,3,4-thiadiazol-2-amine. New heterometallic Pd(ii)/Pt(ii) and Pt(ii)/Au(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5711","5719","10.1039/c0dt01782e","","x-ray","0.71073","MoKα","","0.0835","0.0441","","","0.0907","0.1062","","","","","","1.026","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015627","10.2464","0.0004","19.2382","0.0008","19.7126","0.0006","90","","120.504","0.002","90","","3348","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Cl4 N6 P2 Pd Pt S2 -","- C29 H24 Cl4 N6 P2 Pd Pt S2 -","- C116 H96 Cl16 N24 P8 Pd4 Pt4 S8 -","4","1","","Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre","Chelating or bridging Pd(ii) and Pt(ii) metalloligands from the functional phosphine ligand N-(diphenylphosphino)-1,3,4-thiadiazol-2-amine. New heterometallic Pd(ii)/Pt(ii) and Pt(ii)/Au(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5711","5719","10.1039/c0dt01782e","","","0.71073","MoKα","","0.0746","0.0392","","","0.0711","0.0802","","","","","","0.986","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015628","9.9144","0.0003","13.1141","0.0003","13.9616","0.0003","111.536","0.001","102.871","0.001","91.897","0.001","1632.85","0.07","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31.5 H26 Cl2 N6 P2 Pd Pt S2 -","- C31.5 H26 Cl2 N6 P2 Pd Pt S2 -","- C63 H52 Cl4 N12 P4 Pd2 Pt2 S4 -","2","1","","Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre","Chelating or bridging Pd(ii) and Pt(ii) metalloligands from the functional phosphine ligand N-(diphenylphosphino)-1,3,4-thiadiazol-2-amine. New heterometallic Pd(ii)/Pt(ii) and Pt(ii)/Au(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5711","5719","10.1039/c0dt01782e","","x-ray","0.71073","MoKα","","0.0942","0.0482","","","0.0967","0.1148","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015629","10.9741","0.0005","13.6758","0.0009","17.5503","0.0009","89.302","0.005","73.211","0.005","80.247","0.002","2483.3","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H26 Au2 Cl14 N6 P2 Pt S2 -","- C32 H26 Au2 Cl14 N6 P2 Pt S2 -","- C64 H52 Au4 Cl28 N12 P4 Pt2 S4 -","2","1","","Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre","Chelating or bridging Pd(ii) and Pt(ii) metalloligands from the functional phosphine ligand N-(diphenylphosphino)-1,3,4-thiadiazol-2-amine. New heterometallic Pd(ii)/Pt(ii) and Pt(ii)/Au(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5711","5719","10.1039/c0dt01782e","","x-ray","0.71073","MoKα","","0.08","0.0472","","","0.1036","0.1179","","","","","","0.999","","","","has coordinates,has disorder","179860","2020-10-21","18:00:00",""
"7015630","14.5753","0.0008","13.1508","0.0008","21.3008","0.0009","90","","92.351","0.003","90","","4079.4","0.4","173","2","173","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 B2 Cl2 F8 N6 P2 Pd Pt S2 -","- C28 H24 B2 Cl2 F8 N6 P2 Pd Pt S2 -","- C112 H96 B8 Cl8 F32 N24 P8 Pd4 Pt4 S8 -","4","1","","Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre","Chelating or bridging Pd(ii) and Pt(ii) metalloligands from the functional phosphine ligand N-(diphenylphosphino)-1,3,4-thiadiazol-2-amine. New heterometallic Pd(ii)/Pt(ii) and Pt(ii)/Au(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5711","5719","10.1039/c0dt01782e","","x-ray","0.71073","MoKα","","0.1094","0.067","","","0.1725","0.1905","","","","","","1.024","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015631","17.8791","0.0002","6.7986","0.0006","8.3581","0.0003","90","","90","","90","","1015.95","0.1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H9 I2 N3 Pt -","- C5 H9 I2 N3 Pt -","- C20 H36 I8 N12 Pt4 -","4","1","","Francisco, Carla; Gama, Sofia; Mendes, Filipa; Marques, Fernanda; Cordeiro Dos Santos, Isabel; Paulo, António; Santos, Isabel; Coimbra, Joana; Gabano, Elisabetta; Ravera, Mauro","Pt(ii) complexes with bidentate and tridentate pyrazolyl-containing chelators: synthesis, structural characterization and biological studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5781","5792","10.1039/c0dt01785j","","","0.71073","MoKα","","0.0277","0.0269","","","0.0648","0.0652","","","","","","0.989","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015632","16.7647","0.0008","6.2596","0.0003","8.2202","0.0004","90","","90","","90","","862.63","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H9 Cl2 N3 Pt -","- C5 H9 Cl2 N3 Pt -","- C20 H36 Cl8 N12 Pt4 -","4","1","","Francisco, Carla; Gama, Sofia; Mendes, Filipa; Marques, Fernanda; Cordeiro Dos Santos, Isabel; Paulo, António; Santos, Isabel; Coimbra, Joana; Gabano, Elisabetta; Ravera, Mauro","Pt(ii) complexes with bidentate and tridentate pyrazolyl-containing chelators: synthesis, structural characterization and biological studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5781","5792","10.1039/c0dt01785j","","","0.71073","MoKα","","0.0215","0.0195","","","0.0417","0.0424","","","","","","0.98","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015633","11.9792","0.0003","7.6707","0.0002","15.2962","0.0004","90","","102.424","0.001","90","","1372.64","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl2 N4 Pt -","- C9 H18 Cl2 N4 Pt -","- C36 H72 Cl8 N16 Pt4 -","4","1","","Francisco, Carla; Gama, Sofia; Mendes, Filipa; Marques, Fernanda; Cordeiro Dos Santos, Isabel; Paulo, António; Santos, Isabel; Coimbra, Joana; Gabano, Elisabetta; Ravera, Mauro","Pt(ii) complexes with bidentate and tridentate pyrazolyl-containing chelators: synthesis, structural characterization and biological studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5781","5792","10.1039/c0dt01785j","","","0.71073","MoKα","","0.0242","0.0197","","","0.0429","0.0441","","","","","","1.003","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015634","8.8379","0.0005","11.6404","0.0007","18.3088","0.0011","80.857","0.001","85.384","0.001","67.977","0.001","1723.48","0.18","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H27 N21 -","- C33 H27 N21 -","- C66 H54 N42 -","2","1","","Di Nicola, C.; Garau, F.; Marchetti, F.; Monari, M.; Pandolfo, L.; Pettinari, C.; Venzo, A.","Synthesis, characterization, crystal structure and preliminary reactivity behaviour of new heteropolytopic ligands based on the 1,3,5-triazine spacer and pyrazolyl, tris-pyrazolylmethyl and tris-pyrazolylethoxy bonding fragments.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4941","4953","10.1039/c0dt01787f","","","0.71073","MoKα","","0.1311","0.0792","","","0.251","0.291","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015635","7.9565","0.0016","9.891","0.002","10.939","0.002","68.19","0.03","83.31","0.03","82.96","0.03","790.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 F6 N12 O6 S2 Zn -","- C22 H20 F6 N12 O6 S2 Zn -","- C22 H20 F6 N12 O6 S2 Zn -","1","0.5","","Di Nicola, C.; Garau, F.; Marchetti, F.; Monari, M.; Pandolfo, L.; Pettinari, C.; Venzo, A.","Synthesis, characterization, crystal structure and preliminary reactivity behaviour of new heteropolytopic ligands based on the 1,3,5-triazine spacer and pyrazolyl, tris-pyrazolylmethyl and tris-pyrazolylethoxy bonding fragments.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4941","4953","10.1039/c0dt01787f","","","0.71073","MoKα","","0.2976","0.1524","","","0.3195","0.3865","","","","","","0.984","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015636","10.8075","0.001","11.1046","0.0011","12.2293","0.0015","64.71","0.001","87.819","0.001","62.456","0.001","1153.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 Cl N6 O3 Ru -","- C20 H29 Cl N6 O3 Ru -","- C40 H58 Cl2 N12 O6 Ru2 -","2","1","","Di Nicola, C.; Garau, F.; Marchetti, F.; Monari, M.; Pandolfo, L.; Pettinari, C.; Venzo, A.","Synthesis, characterization, crystal structure and preliminary reactivity behaviour of new heteropolytopic ligands based on the 1,3,5-triazine spacer and pyrazolyl, tris-pyrazolylmethyl and tris-pyrazolylethoxy bonding fragments.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4941","4953","10.1039/c0dt01787f","","","0.71073","MoKα","","0.0435","0.0398","","","0.1273","0.1298","","","","","","1.14","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015637","19.6841","0.0011","11.6982","0.0006","12.5672","0.0007","90","","125.612","0.001","90","","2352.6","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 N6 O -","- C11 H12 N6 O -","- C88 H96 N48 O8 -","8","1","","Di Nicola, C.; Garau, F.; Marchetti, F.; Monari, M.; Pandolfo, L.; Pettinari, C.; Venzo, A.","Synthesis, characterization, crystal structure and preliminary reactivity behaviour of new heteropolytopic ligands based on the 1,3,5-triazine spacer and pyrazolyl, tris-pyrazolylmethyl and tris-pyrazolylethoxy bonding fragments.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4941","4953","10.1039/c0dt01787f","","","0.71073","MoKα","","0.048","0.0441","","","0.1186","0.1229","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015638","8.901","0.005","9.439","0.005","14.695","0.007","78.425","0.017","86.286","0.019","77.873","0.014","1182.2","1.1","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","compound 2","","","- C8 H16 Al3 N4 O17 P4 -","- C8 H16 Al3 N4 O17 P4 -","- C16 H32 Al6 N8 O34 P8 -","2","1","","Wragg, David S.; Fullerton, Grace M.; Byrne, Peter J.; Slawin, Alexandra M. Z.; Warren, John E.; Teat, Simon J.; Morris, Russell E.","Solvothermal aluminophosphate zeotype synthesis with ionic liquid precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4926","4932","10.1039/c0dt01788d","","","0.71073","MoKα","","0.0654","0.0624","","","0.1661","0.1702","","","","","","1.08","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015639","17.7754","0.0011","17.7754","0.0011","8.8374","0.0006","90","","90","","90","","2792.3","0.3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","compound 1- interrupted sodalite AlPO","","","- C10 H24 Al4 N2 O20 P5 -","- C10 H24 Al4 N2 O20 P5 -","- C40 H96 Al16 N8 O80 P20 -","4","0.5","","Wragg, David S.; Fullerton, Grace M.; Byrne, Peter J.; Slawin, Alexandra M. Z.; Warren, John E.; Teat, Simon J.; Morris, Russell E.","Solvothermal aluminophosphate zeotype synthesis with ionic liquid precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4926","4932","10.1039/c0dt01788d","","","0.7749","synchrotron","","0.0878","0.0797","","","0.2304","0.239","","","","","","1.061","","","","has coordinates,has disorder","179860","2020-10-21","18:00:00",""
"7015640","8.522","0.004","20.101","0.01","8.846","0.004","90","","111.09","0.008","90","","1413.8","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 3","","","- C5 H7 Al2 N O12 P3 -","- C5 H7 Al2 N O12 P3 -","- C20 H28 Al8 N4 O48 P12 -","4","1","","Wragg, David S.; Fullerton, Grace M.; Byrne, Peter J.; Slawin, Alexandra M. Z.; Warren, John E.; Teat, Simon J.; Morris, Russell E.","Solvothermal aluminophosphate zeotype synthesis with ionic liquid precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4926","4932","10.1039/c0dt01788d","","","0.6939","synchrotron","","0.1253","0.0653","","","0.1482","0.1758","","","","","","0.965","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015641","9.154","0.004","9.239","0.004","9.345","0.004","78.231","0.005","87.485","0.006","87.179","0.005","772.3","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C4.67 H6.67 Al2 F0.67 N0.67 O8 P2 -","- C4.66667 H6.66667 Al2 F0.666667 N0.666667 O8 P2 -","- C14 H20 Al6 F2 N2 O24 P6 -","3","1.5","","Wragg, David S.; Fullerton, Grace M.; Byrne, Peter J.; Slawin, Alexandra M. Z.; Warren, John E.; Teat, Simon J.; Morris, Russell E.","Solvothermal aluminophosphate zeotype synthesis with ionic liquid precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4926","4932","10.1039/c0dt01788d","","","0.6307","","","0.1756","0.0956","","","0.2129","0.2747","","","","","","0.955","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015642","9.2297","0.0003","12.1798","0.0004","21.4452","0.0008","90","","90","","90","","2410.78","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl2 N Zr -","- C23 H35 Cl2 N Zr -","- C92 H140 Cl8 N4 Zr4 -","4","1","","Liu, Kefeng; Wu, Qiaolin; Gao, Wei; Mu, Ying","Half-zirconocene anilide complexes: synthesis, characterization and catalytic properties for ethylene polymerization and copolymerization with 1-hexene.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4715","4721","10.1039/c0dt01789b","","","0.71073","MoKα","","0.0217","0.0208","","","0.0525","0.053","","","","","","1.048","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015643","8.189","0.005","27.869","0.019","9.933","0.007","90","","114.34","","90","","2065","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Cl2 N Zr -","- C19 H27 Cl2 N Zr -","- C76 H108 Cl8 N4 Zr4 -","4","1","","Liu, Kefeng; Wu, Qiaolin; Gao, Wei; Mu, Ying","Half-zirconocene anilide complexes: synthesis, characterization and catalytic properties for ethylene polymerization and copolymerization with 1-hexene.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4715","4721","10.1039/c0dt01789b","","","0.71073","MoKα","","0.0701","0.0438","","","0.0989","0.1079","","","","","","1.029","","","","has coordinates,has disorder","179860","2020-10-21","18:00:00",""
"7015644","8.4521","0.0008","11.6652","0.0011","14.8715","0.0014","85.017","0.002","75.515","0.002","73.171","0.002","1358.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Cl N2 Zr -","- C28 H39 Cl N2 Zr -","- C56 H78 Cl2 N4 Zr2 -","2","1","","Liu, Kefeng; Wu, Qiaolin; Gao, Wei; Mu, Ying","Half-zirconocene anilide complexes: synthesis, characterization and catalytic properties for ethylene polymerization and copolymerization with 1-hexene.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4715","4721","10.1039/c0dt01789b","","","0.71073","MoKα","","0.082","0.0523","","","0.1055","0.1184","","","","","","0.977","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015645","14.8281","0.0015","13.4901","0.0012","30.911","0.004","90","","116.138","0.008","90","","5550.9","1.1","122","1","122","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","t-Butylammonium ((mu!3$-imido)(mu!3$-oxo)tris(eta$5!- pentamethylcyclopentadienyliridium(iii))) triflate, dichloromethane solvate","t-Butylammonium [(μ~3~-imido)(μ~3~-oxo)tris(η^5^-pentamethylcyclopentadienyliridium(iii))] triflate, dichloromethane solvate","","- C42 H68 Cl2 F9 Ir3 N2 O10 S3 -","- C42 H68 Cl2 F9 Ir3 N2 O10 S3 -","- C168 H272 Cl8 F36 Ir12 N8 O40 S12 -","4","1","","Schau-Magnussen, Magnus; Malcho, Phillip; Herbst, Konrad; Brorson, Michael; Bendix, Jesper","Synthesis and X-ray crystal structure of a novel organometallic (μ3-oxido)(μ3-imido) trinuclear iridium complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4212","4216","10.1039/c0dt01791d","","","0.71073","MoKα","","0.0426","0.0275","","","0.0637","0.076","","","","","","1.102","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015646","21.513","0.0008","13.535","0.003","14.3094","0.0014","90","","93.085","0.009","90","","4160.6","1","122","1","122","1","","","","","","","","7","C 1 2/m 1","-C 2y","12","((mu!3$-imido)(mu!3$-oxo)tris(eta$5!- pentamethylcyclopentadienyliridium(iii))) triflate","[(μ~3~-imido)(μ~3~-oxo)tris(η^5^-pentamethylcyclopentadienyliridium(iii))] triflate","","- C36 H54 F6 Ir3 N O7 S2 -","- C36 H54 F6 Ir3 N O7 S2 -","- C144 H216 F24 Ir12 N4 O28 S8 -","4","0.5","","Schau-Magnussen, Magnus; Malcho, Phillip; Herbst, Konrad; Brorson, Michael; Bendix, Jesper","Synthesis and X-ray crystal structure of a novel organometallic (μ3-oxido)(μ3-imido) trinuclear iridium complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4212","4216","10.1039/c0dt01791d","","","0.71073","MoKα","","0.0368","0.0291","","","0.076","0.0826","","","","","","1.099","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015647","7.9262","0.001","16.625","0.002","13.5738","0.0017","90","","97.88","0.002","90","","1771.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 B10 F5 -","- C14 H15 B10 F5 -","- C56 H60 B40 F20 -","4","1","","Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero","Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4200","4211","10.1039/c0dt01798a","","","0.71073","MoKα","","0.1143","0.0593","","","0.1151","0.1359","","","","","","1.016","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015648","10.1887","0.0011","12.3835","0.0012","15.351","0.0017","90","","103.201","0.004","90","","1885.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 B10 F3 -","- C15 H19 B10 F3 -","- C60 H76 B40 F12 -","4","1","","Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero","Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4200","4211","10.1039/c0dt01798a","","","0.71073","MoKα","","0.0772","0.0378","","","0.0824","0.1028","","","","","","1.032","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015649","9.9377","0.0006","14.8567","0.0009","14.0881","0.0008","90","","90","","90","","2080","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H18 B10 F6 -","- C16 H18 B10 F6 -","- C64 H72 B40 F24 -","4","1","","Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero","Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4200","4211","10.1039/c0dt01798a","","","0.71073","MoKα","","0.044","0.0398","","","0.1035","0.1068","","","","","","1.141","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015650","20.395","0.004","10.841","0.002","18.92","0.004","90","","116.36","0.03","90","","3748.3","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 B10 F4 -","- C15 H18 B10 F4 -","- C120 H144 B80 F32 -","8","2","","Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero","Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4200","4211","10.1039/c0dt01798a","","","0.71073","MoKα","","0.0744","0.0475","","","0.103","0.1138","","","","","","1.017","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015651","7.1669","0.0011","10.7348","0.0015","13.205","0.002","101.887","0.005","98.662","0.005","91.23","0.005","981.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","x82839","","","- C15 H15 B10 F7 -","- C15 H15 B10 F7 -","- C30 H30 B20 F14 -","2","1","","Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero","Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4200","4211","10.1039/c0dt01798a","","","0.71073","MoKα","","0.1034","0.0614","","","0.1414","0.1662","","","","","","1.028","","","","has coordinates,has disorder","179860","2020-10-21","18:00:00",""
"7015652","10.8344","0.0014","27.098","0.003","14.8774","0.0019","90","","91.132","0.007","90","","4367","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B10 F14 -","- C16 H10 B10 F14 -","- C128 H80 B80 F112 -","8","2","","Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero","Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4200","4211","10.1039/c0dt01798a","","","0.71073","MoKα","","0.1009","0.0827","","","0.2709","0.284","","","","","","1.128","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015653","7.3776","0.0014","11.542","0.002","25.729","0.005","90","","98.164","0.007","90","","2168.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B10 F14 -","- C16 H10 B10 F14 -","- C64 H40 B40 F56 -","4","1","","Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero","Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4200","4211","10.1039/c0dt01798a","","","0.71073","MoKα","","0.2127","0.182","","","0.4721","0.4885","","","","","","1.66","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015654","12.259","0.004","7.194","0.002","24.414","0.008","90","","91.861","0.01","90","","2152","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B10 F14 -","- C16 H10 B10 F14 -","- C64 H40 B40 F56 -","4","1","","Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero","Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4200","4211","10.1039/c0dt01798a","","","0.71073","MoKα","","0.088","0.057","","","0.1444","0.1597","","","","","","1.089","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015655","8.411","0.003","10.009","0.004","13.997","0.004","104.37","0.03","96.23","0.02","94.18","0.02","1128.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H24 Cl2 N4 O2 Ru S2 -","- C18 H24 Cl2 N4 O2 Ru S2 -","- C36 H48 Cl4 N8 O4 Ru2 S4 -","2","1","","Bratsos, Ioannis; Urankar, Damijana; Zangrando, Ennio; Genova-Kalou, Petia; Košmrlj, Janez; Alessio, Enzo; Turel, Iztok","1-(2-Picolyl)-substituted 1,2,3-triazole as novel chelating ligand for the preparation of ruthenium complexes with potential anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5188","5199","10.1039/c0dt01807d","","","0.71073","MoKα","","0.0804","0.0421","","","0.096","0.107","","","","","","0.839","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015656","10.796","0.003","12.813","0.003","16.22","0.004","90","0.02","91.19","0.02","90","0.02","2243.2","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl2 N4 O2 Ru S2 -","- C18 H24 Cl2 N4 O2 Ru S2 -","- C72 H96 Cl8 N16 O8 Ru4 S8 -","4","1","","Bratsos, Ioannis; Urankar, Damijana; Zangrando, Ennio; Genova-Kalou, Petia; Košmrlj, Janez; Alessio, Enzo; Turel, Iztok","1-(2-Picolyl)-substituted 1,2,3-triazole as novel chelating ligand for the preparation of ruthenium complexes with potential anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5188","5199","10.1039/c0dt01807d","","","0.71073","MoKα","","0.0985","0.046","","","0.1027","0.116","","","","","","0.838","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015657","12.59","0.003","12.611","0.003","12.511","0.005","64.09","0.02","71.65","0.03","85.07","0.03","1692.8","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 F6 N4 O7 Ru S6 -","- C24 H30 F6 N4 O7 Ru S6 -","- C48 H60 F12 N8 O14 Ru2 S12 -","2","1","","Bratsos, Ioannis; Urankar, Damijana; Zangrando, Ennio; Genova-Kalou, Petia; Košmrlj, Janez; Alessio, Enzo; Turel, Iztok","1-(2-Picolyl)-substituted 1,2,3-triazole as novel chelating ligand for the preparation of ruthenium complexes with potential anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5188","5199","10.1039/c0dt01807d","","","0.71073","MoKα","","0.1198","0.0763","","","0.198","0.2254","","","","","","0.911","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015658","8.276","0.003","13.69","0.004","14.262","0.004","86.21","0.03","73.46","0.02","71.34","0.02","1467","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H26 Cl F3 N4 O4 Ru S4 -","- C21 H24 Cl F3 N4 O4 Ru S4 -","- C42 H48 Cl2 F6 N8 O8 Ru2 S8 -","2","1","","Bratsos, Ioannis; Urankar, Damijana; Zangrando, Ennio; Genova-Kalou, Petia; Košmrlj, Janez; Alessio, Enzo; Turel, Iztok","1-(2-Picolyl)-substituted 1,2,3-triazole as novel chelating ligand for the preparation of ruthenium complexes with potential anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5188","5199","10.1039/c0dt01807d","","","0.71073","MoKα","","0.0964","0.0598","","","0.1655","0.184","","","","","","0.86","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015659","39.209","0.001","17.3105","0.0003","29.2837","0.0008","90","","122.977","0.004","90","","16673.5","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C134 H168 F18 N4 O38 P4 S14 Tb2 -","- C134 H156 F18 N4 O38 P4 S14 Tb2 -","- C536 H624 F72 N16 O152 P16 S56 Tb8 -","4","0.5","","El Moll, Hani; Sémeril, David; Matt, Dominique; Charbonnière, Loïc; Toupet, Loïc","Infinite terbium(III) chains formed from a tetra-phosphorylated resorcinarene cavitand.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4391","4393","10.1039/c0dt01808b","","","0.71069","MoKα","","0.1164","0.0612","","","0.1523","0.1648","","","","","","0.96","","","","has coordinates,has disorder","179860","2020-10-21","18:00:00",""
"7015660","10.1437","0.0009","11.0401","0.0009","10.9432","0.0009","72.013","0.006","85.964","0.007","66.324","0.006","1065.47","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Fe N P -","- C27 H22 Fe N P -","- C54 H44 Fe2 N2 P2 -","2","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0278","0.0264","","","0.0732","0.0739","","","","","","1.088","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015661","8.4956","0.0011","10.9419","0.0013","13.4071","0.0015","67.813","0.009","75.752","0.009","84.294","0.01","1118.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Fe N P -","- C28 H24 Fe N P -","- C56 H48 Fe2 N2 P2 -","2","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0336","0.0323","","","0.0892","0.09","","","","","","1.056","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015662","10.1847","0.0012","11.0585","0.0012","10.9491","0.0013","72.89","0.009","85.1","0.01","65.974","0.008","1075.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Fe N P -","- C27 H22 Fe N P -","- C54 H44 Fe2 N2 P2 -","2","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0677","0.0483","","","0.1119","0.1182","","","","","","0.927","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015663","19.2868","0.0016","9.2179","0.0005","28.835","0.003","90","","101.856","0.007","90","","5017","0.7","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl2 Fe N P Zn -","- C27 H22 Cl2 Fe N P Zn -","- C216 H176 Cl16 Fe8 N8 P8 Zn8 -","8","2","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.089","0.0461","","","0.0876","0.0948","","","","","","0.846","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015664","14.6245","0.0006","9.2633","0.0004","19.3704","0.0007","90","","102.744","0.003","90","","2559.49","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H22 Br2 Fe N P Zn -","- C27 H22 Br2 Fe N P Zn -","- C108 H88 Br8 Fe4 N4 P4 Zn4 -","4","2","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0198","0.0184","","","0.0457","0.0461","","","","","","1.043","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015665","14.8184","0.0013","9.3495","0.0006","18.8737","0.0017","90","","91.972","0.007","90","","2613.3","0.4","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br2 Cd Fe N P -","- C27 H22 Br2 Cd Fe N P -","- C108 H88 Br8 Cd4 Fe4 N4 P4 -","4","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0549","0.031","","","0.0605","0.0638","","","","","","0.766","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015666","10.4638","0.001","10.5429","0.0008","14.1699","0.0011","72.904","0.006","69.694","0.007","70.125","0.007","1351","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H22 Cd Fe I2 N P -","- C27 H22 Cd Fe I2 N P -","- C54 H44 Cd2 Fe2 I4 N2 P2 -","2","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0324","0.0282","","","0.0758","0.0835","","","","","","1.111","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015667","10.1471","0.001","10.3258","0.001","13.6179","0.0013","104.921","0.008","92.316","0.008","110.214","0.008","1280.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H22 Br2 Fe Hg N P -","- C27 H22 Br2 Fe Hg N P -","- C54 H44 Br4 Fe2 Hg2 N2 P2 -","2","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0249","0.0224","","","0.0529","0.0536","","","","","","1.002","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015668","49.456","0.005","22.407","0.0014","8.2534","0.0007","90","","90","","90","","9146.1","1.3","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C54 H44 Cd Cl2 Fe2 N2 P2 -","- C54 H44 Cd Cl2 Fe2 N2 P2 -","- C432 H352 Cd8 Cl16 Fe16 N16 P16 -","8","0.5","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0568","0.0408","","","0.0759","0.0797","","","","","","0.919","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015669","17.1944","0.0005","15.4843","0.0005","17.6894","0.0005","90","","92.045","0.002","90","","4706.7","0.2","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 Cl2 Fe2 Hg N2 P2 -","- C54 H44 Cl2 Fe2 Hg N2 P2 -","- C216 H176 Cl8 Fe8 Hg4 N8 P8 -","4","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0318","0.0276","","","0.0702","0.072","","","","","","1.024","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015670","17.4068","0.0008","15.5806","0.0005","17.538","0.0008","90","","92.161","0.004","90","","4753.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 Br2 Fe2 Hg N2 P2 -","- C54 H44 Br2 Fe2 Hg N2 P2 -","- C216 H176 Br8 Fe8 Hg4 N8 P8 -","4","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0513","0.0474","","","0.1142","0.1165","","","","","","1.085","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015671","9.5405","0.0011","9.8309","0.0013","16.591","0.002","79.405","0.011","86.852","0.01","89.624","0.01","1527.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H46 Cl6 Fe2 Hg2 I4 N2 P2 -","- C56 H46 Cl6 Fe2 Hg2 I4 N2 P2 -","- C56 H46 Cl6 Fe2 Hg2 I4 N2 P2 -","1","0.5","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0832","0.0538","","","0.122","0.1345","","","","","","0.931","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015672","9.2769","0.0005","18.5543","0.0009","15.1266","0.0008","90","","93.655","0.004","90","","2598.4","0.2","218","2","218","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Br2 Fe N P Zn -","- C28 H24 Br2 Fe N P Zn -","- C112 H96 Br8 Fe4 N4 P4 Zn4 -","4","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0419","0.0296","","","0.0685","0.0714","","","","","","0.981","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015673","12.0066","0.0009","14.5539","0.0007","18.3142","0.0014","90","","108.865","0.006","90","","3028.4","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 Br4 Cl4 Fe2 N2 P2 Zn2 -","- C58 H52 Br4 Cl4 Fe2 N2 P2 Zn2 -","- C116 H104 Br8 Cl8 Fe4 N4 P4 Zn4 -","2","0.5","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0983","0.0663","","","0.161","0.1777","","","","","","0.94","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015674","9.1388","0.0011","9.5318","0.001","16.627","0.0017","84.26","0.009","74.946","0.009","77.441","0.009","1363.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 Br2 Cd Fe N P -","- C28 H24 Br2 Cd Fe N P -","- C56 H48 Br4 Cd2 Fe2 N2 P2 -","2","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0877","0.0773","","","0.1969","0.2059","","","","","","1.033","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015675","9.4757","0.0008","19.0085","0.0011","15.4717","0.0012","90","","94.513","0.006","90","","2778.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cd Fe I2 N P -","- C28 H24 Cd Fe I2 N P -","- C112 H96 Cd4 Fe4 I8 N4 P4 -","4","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0726","0.046","","","0.1027","0.1101","","","","","","0.893","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015676","9.3132","0.0008","18.5685","0.0017","15.32","0.0013","90","","94.473","0.007","90","","2641.3","0.4","218","2","218","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Br2 Fe Hg N P -","- C28 H24 Br2 Fe Hg N P -","- C112 H96 Br8 Fe4 Hg4 N4 P4 -","4","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0669","0.0334","","","0.0841","0.0901","","","","","","0.884","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015677","34.972","0.0012","9.941","0.0005","18.1638","0.0008","90","","90","","90","","6314.8","0.5","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C28 H24 Br4 Fe Hg2 N P -","- C28 H24 Br4 Fe Hg2 N P -","- C224 H192 Br32 Fe8 Hg16 N8 P8 -","8","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0681","0.0548","","","0.136","0.1469","","","","","","1.067","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015678","13.7805","0.0006","40.4138","0.0016","19.15","0.0009","90","","90","","90","","10665.1","0.8","173","2","173","2","","","","","","","","8","I b a 2","I 2 -2c","45","","","","- C57 H49 Br2 Cl3 Fe2 Hg N2 P2 -","- C57 H49 Br2 Cl3 Fe2 Hg N2 P2 -","- C456 H392 Br16 Cl24 Fe16 Hg8 N16 P16 -","8","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.043","0.0382","","","0.0963","0.101","","","","","","1.026","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015679","15.3284","0.001","9.0578","0.0006","18.4976","0.001","90","","96.22","0.005","90","","2553.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br2 Fe N P Zn -","- C27 H22 Br2 Fe N P Zn -","- C108 H88 Br8 Fe4 N4 P4 Zn4 -","4","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0595","0.0408","","","0.0861","0.0915","","","","","","0.93","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015680","16.0531","0.0009","8.9781","0.0004","19.1","0.0011","90","","105.934","0.004","90","","2647","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br2 Fe Hg N P -","- C27 H22 Br2 Fe Hg N P -","- C108 H88 Br8 Fe4 Hg4 N4 P4 -","4","1","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0285","0.0261","","","0.0723","0.0734","","","","","","1.167","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015681","35.2478","0.0014","8.9626","0.0004","24.94","0.001","90","","134.205","0.001","90","","5647.9","0.4","100","2","100","2","","","","","","","synthesis as described","7","C 1 2 1","C 2y","5","","","","- C54 H72 F12 N2 O4 P2 Ru2 -","- C54 H72 F12 N2 O4 P2 Ru2 -","- C216 H288 F48 N8 O16 P8 Ru8 -","4","1","","Sahli, Zeyneb; Derrien, Nolwenn; Pascal, Simon; Demerseman, Bernard; Roisnel, Thierry; Barrière, Frédéric; Achard, Mathieu; Bruneau, Christian","Preparation of chiral ruthenium(iv) complexes and applications in regio- and enantioselective allylation of phenols.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5625","5630","10.1039/c0dt01812k","","x-ray","0.71073","MoKα","","0.0455","0.0427","","","0.1076","0.1091","","","","","","1.04","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015682","7.1857","0.0004","7.1857","0.0004","13.1344","0.0008","90","","90","","90","","678.19","0.07","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd0.6 Si4 Zr4.4 -","- Gd0.602 Si4 Zr4.398 -","- Gd2.408 Si16 Zr17.592 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0348","0.0264","","","0.0384","0.0397","","","","","","0.829","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015683","7.3253","0.0009","7.3253","0.0009","13.416","0.002","90","","90","","90","","719.9","0.16","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd1.95 Si4 Zr3.05 -","- Gd1.952 Si4 Zr3.048 -","- Gd7.808 Si16 Zr12.192 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0733","0.0445","","","0.053","0.057","","","","","","0.917","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015684","7.4607","0.0006","7.4607","0.0006","13.7196","0.0014","90","","90","","90","","763.66","0.12","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd2.82 Si4 Zr2.18 -","- Gd2.808 Si4 Zr2.192 -","- Gd11.232 Si16 Zr8.768 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0558","0.0386","","","0.0673","0.0714","","","","","","0.968","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015685","7.6324","0.0008","7.6324","0.0008","14.0623","0.0019","90","","90","","90","","819.18","0.16","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd3.81 Si4 Zr1.19 -","- Gd3.812 Si4 Zr1.188 -","- Gd15.248 Si16 Zr4.752 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.078","0.0551","","","0.0973","0.1038","","","","","","1.037","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015686","7.6294","0.0007","7.6294","0.0007","14.0623","0.0015","90","","90","","90","","818.53","0.14","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- Gd4.07 Si4 Zr0.93 -","- Gd4.067 Si4 Zr0.933 -","- Gd16.268 Si16 Zr3.732 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0831","0.0549","","","0.0751","0.0809","","","","","","0.977","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015687","7.4125","0.0005","14.5742","0.0009","7.6693","0.0005","90","","90","","90","","828.52","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd4.42 Si4 Zr0.58 -","- Gd4.422 Si4 Zr0.578 -","- Gd17.688 Si16 Zr2.312 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0275","0.0169","","","0.0184","0.0194","","","","","","0.933","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015688","7.4492","0.0004","14.6413","0.0009","7.6985","0.0005","90","","90","","90","","839.64","0.09","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd4.67 Si4 Zr0.33 -","- Gd4.678 Si4 Zr0.322 -","- Gd18.712 Si16 Zr1.288 -","4","0.5","","Yao, Jinlei; Lyutyy, Pavlo; Mozharivskyj, Yurij","Crystal structure, coloring problem and magnetism of Gd(5-x)Zr(x)Si4.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4275","4283","10.1039/c0dt01821j","","","0.71073","MoKα","","0.0333","0.0216","","","0.0274","0.0288","","","","","","0.942","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015689","11.0976","0.0007","11.4129","0.0007","13.8155","0.0008","91.808","0.005","102.944","0.005","115.411","0.002","1524.08","0.17","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","(Ru(EtOtpy)(bpy)(H2O))(NO3)2 - 2.5(H2O)","","","- C27 H30 N7 O10.5 Ru -","- C27 H25 N7 O10.5 Ru -","- C54 H50 N14 O21 Ru2 -","2","1","","Yagi, Masayuki; Tajima, Syouhei; Komi, Manabu; Yamazaki, Hirosato","Highly active and tunable catalysts for O2 evolution from water based on mononuclear ruthenium(II) monoaquo complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","15","3802","3804","10.1039/c0dt01826k","","","0.7107","MoKα","","","0.051","","","","0.137","","","","","","1.258","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015690","16.044","0.007","16.044","0.008","19.529","0.01","90","","90","","90","","5027","4","150","2","150","2","","","","","","","synthesis as described","5","I 41 c d","I 4bw -2c","110","","","","- C24 H43 F Ni P2 -","- C24 H43 F Ni P2 -","- C192 H344 F8 Ni8 P16 -","8","0.5","","Rossin, Andrea; Peruzzini, Maurizio; Zanobini, Fabrizio","Nickel(II) hydride and fluoride pincer complexes and their reactivity with Lewis acids BX3·L (X = H, L = thf; X = F, L = Et2O).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4447","4452","10.1039/c0dt01836h","","x-ray","0.71069","MoKα","","0.0595","0.0304","","","0.0648","0.0702","","","","","","0.86","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015691","17.28","0.008","15.826","0.007","20.966","0.009","90","0.005","90","0.005","90","0.005","5734","4","123","2","123","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C24 H45 B F4 Ni O P2 -","- C24 H45 B F4 Ni O P2 -","- C192 H360 B8 F32 Ni8 O8 P16 -","8","1","","Rossin, Andrea; Peruzzini, Maurizio; Zanobini, Fabrizio","Nickel(II) hydride and fluoride pincer complexes and their reactivity with Lewis acids BX3·L (X = H, L = thf; X = F, L = Et2O).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4447","4452","10.1039/c0dt01836h","","x-ray","0.71069","MoKα","","0.0806","0.0326","","","0.0465","0.0525","","","","","","0.755","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015692","13.5936","0.0007","20.5452","0.0012","7.1974","0.0004","90","","98.058","0.003","90","","1990.27","0.19","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Ag F3 N2 O4 S -","- C19 H14 Ag F3 N2 O4 S -","- C76 H56 Ag4 F12 N8 O16 S4 -","4","1","","Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro; Szerb, Elisabeta I.; La Deda, Massimo","2,2'-Biquinolines as test pilots for tuning the colour emission of luminescent mesomorphic silver(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4614","4622","10.1039/c0dt01842b","","","0.71073","MoKα","","0.089","0.0519","","","0.1438","0.1653","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015693","7.2305","0.0016","12.765","0.003","13.307","0.003","83.416","0.01","81.94","0.01","86.948","0.01","1207.2","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Ag F3 N2 O8 S -","- C23 H18 Ag F3 N2 O8 S -","- C46 H36 Ag2 F6 N4 O16 S2 -","2","1","","Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro; Szerb, Elisabeta I.; La Deda, Massimo","2,2'-Biquinolines as test pilots for tuning the colour emission of luminescent mesomorphic silver(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4614","4622","10.1039/c0dt01842b","","","0.71073","MoKα","","0.0494","0.0331","","","0.0792","0.0867","","","","","","1.027","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015694","28.3515","0.0017","14.9001","0.0009","12.9781","0.0008","90","","90","","90","","5482.5","0.6","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 H24 Cl2 N8 Sn -","- C44 H24 Cl2 N8 Sn -","- C176 H96 Cl8 N32 Sn4 -","4","0.5","","Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","Open and closed states of a porphyrin based molecular turnstile.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3517","3523","10.1039/c1dt00004g","","","0.71073","MoKα","","0.1372","0.0775","","","0.1938","0.2069","","","","","","1.033","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015695","33.2374","0.001","7.4001","0.0003","15.2959","0.0006","90","","93.956","0.002","90","","3753.2","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 O10.5 -","- C20 H19 O10.5 -","- C160 H152 O84 -","8","1","","Nurchi, Valeria M.; Lachowicz, Joanna I.; Crisponi, Guido; Murgia, Sergio; Arca, Massimiliano; Pintus, Anna; Gans, Peter; Niclos-Gutierrez, Juan; Domínguez-Martín, Alicia; Castineiras, Alfonso; Remelli, Maurizio; Szewczuk, Zbigniew; Lis, Tadeusz","Kojic acid derivatives as powerful chelators for iron(iii) and aluminium(iii).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5984","5998","10.1039/c1dt00005e","","","0.71073","MoKα","","0.0373","0.0327","","","0.0817","0.0842","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015696","8.365","0.003","13.15","0.004","16.819","0.005","90","","98.44","0.05","90","","1830","1","85","2","85","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O10 -","- C20 H18 O10 -","- C80 H72 O40 -","4","1","","Nurchi, Valeria M.; Lachowicz, Joanna I.; Crisponi, Guido; Murgia, Sergio; Arca, Massimiliano; Pintus, Anna; Gans, Peter; Niclos-Gutierrez, Juan; Domínguez-Martín, Alicia; Castineiras, Alfonso; Remelli, Maurizio; Szewczuk, Zbigniew; Lis, Tadeusz","Kojic acid derivatives as powerful chelators for iron(iii) and aluminium(iii).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5984","5998","10.1039/c1dt00005e","","","0.71073","MoKα","","0.1626","0.0597","","","0.0543","0.0635","","","","","","1.002","","","","has coordinates,has disorder","179860","2020-10-21","18:00:00",""
"7015697","13.2187","0.0006","13.2825","0.0005","14.5639","0.0006","96.44","0.002","114.512","0.002","105.043","0.002","2175.44","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H35 Br2 Cl2 N7 O7 Re2 -","- C41 H35 Br2 Cl2 N7 O7 Re2 -","- C82 H70 Br4 Cl4 N14 O14 Re4 -","2","1","","Wei, Qiao-Hua; Xiao, Fang-Nan; Han, Li-Jing; Zeng, Shen-Liang; Duan, Ya-Nan; Chen, Guo-Nan","Synthesis, structure, photophysical and electrochemiluminescence properties of Re(I) tricarbonyl complexes incorporating pyrazolyl-pyridyl-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5078","5085","10.1039/c1dt00015b","","","0.71073","MoKα","","0.0624","0.0513","","","0.1433","0.1522","","","","","","1.034","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015698","10.36","0.002","10.53","0.002","12.4","0.003","72.32","0.03","85.05","0.03","69.03","0.03","1203.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Cl N6 O3 Re -","- C27 H20 Cl N6 O3 Re -","- C54 H40 Cl2 N12 O6 Re2 -","2","1","","Wei, Qiao-Hua; Xiao, Fang-Nan; Han, Li-Jing; Zeng, Shen-Liang; Duan, Ya-Nan; Chen, Guo-Nan","Synthesis, structure, photophysical and electrochemiluminescence properties of Re(I) tricarbonyl complexes incorporating pyrazolyl-pyridyl-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5078","5085","10.1039/c1dt00015b","","","0.71073","MoKα","","0.0311","0.0294","","","0.0641","0.0651","","","","","","1.12","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015699","9.8096","0.0018","17.481","0.003","14.825","0.003","90","","96.962","0.003","90","","2523.5","0.8","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Co2 N16 O6 S4 -","- C35.98 H53.94 Co2 N16 O6 S4 -","- C71.96 H107.88 Co4 N32 O12 S8 -","2","0.5","","Reid, Derek J.; Cull, John E. W.; Chisholm, Kimberley D. S.; Langlois, Alexandre; Lin, Po-Heng; Long, Jérôme; Lebel, Olivier; Korobkov, Ilia; Wang, Ruiyao; Wuest, James D.; Murugesu, Muralee; Scott, Jennifer","Synthesis, structure and magnetism of homodinuclear complexes of Co, Ni and Cu supported by a novel bitriazine scaffold.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5009","5017","10.1039/c1dt00018g","","","0.71073","MoKα","","0.1323","0.059","","","0.1353","0.1707","","","","","","0.987","","","","has coordinates,has disorder","179860","2020-10-21","18:00:00",""
"7015700","9.1073","0.0001","9.4828","0.0001","13.0297","0.0002","106.27","0.001","92.707","0.001","93.283","0.001","1076.09","0.02","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H46 N16 Ni2 O18 -","- C28 H46 N16 Ni2 O18 -","- C28 H46 N16 Ni2 O18 -","1","0.5","","Reid, Derek J.; Cull, John E. W.; Chisholm, Kimberley D. S.; Langlois, Alexandre; Lin, Po-Heng; Long, Jérôme; Lebel, Olivier; Korobkov, Ilia; Wang, Ruiyao; Wuest, James D.; Murugesu, Muralee; Scott, Jennifer","Synthesis, structure and magnetism of homodinuclear complexes of Co, Ni and Cu supported by a novel bitriazine scaffold.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5009","5017","10.1039/c1dt00018g","","","0.71073","MoKα","","0.032","0.0278","","","0.0707","0.0734","","","","","","1.038","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015701","10.3414","0.0002","10.443","0.0002","10.5451","0.0002","66.828","0.001","89.848","0.001","62.364","0.001","904.6","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl4 Cu2 N12 O4 -","- C26 H38 Cl4 Cu2 N12 O4 -","- C26 H38 Cl4 Cu2 N12 O4 -","1","0.5","","Reid, Derek J.; Cull, John E. W.; Chisholm, Kimberley D. S.; Langlois, Alexandre; Lin, Po-Heng; Long, Jérôme; Lebel, Olivier; Korobkov, Ilia; Wang, Ruiyao; Wuest, James D.; Murugesu, Muralee; Scott, Jennifer","Synthesis, structure and magnetism of homodinuclear complexes of Co, Ni and Cu supported by a novel bitriazine scaffold.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5009","5017","10.1039/c1dt00018g","","","0.71073","MoKα","","0.0329","0.027","","","0.0712","0.0741","","","","","","1.043","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015702","25.264","0.0004","10.8761","0.0002","19.8923","0.0006","90","","127.549","0.001","90","","4333.53","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 Cu2 N17 O16 -","- C26 H37 Cu2 N17 O16 -","- C104 H148 Cu8 N68 O64 -","4","0.5","","Reid, Derek J.; Cull, John E. W.; Chisholm, Kimberley D. S.; Langlois, Alexandre; Lin, Po-Heng; Long, Jérôme; Lebel, Olivier; Korobkov, Ilia; Wang, Ruiyao; Wuest, James D.; Murugesu, Muralee; Scott, Jennifer","Synthesis, structure and magnetism of homodinuclear complexes of Co, Ni and Cu supported by a novel bitriazine scaffold.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5009","5017","10.1039/c1dt00018g","","","0.71073","MoKα","","0.0591","0.0456","","","0.1309","0.148","","","","","","1.024","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015703","8.538","0.0009","19.9727","0.0019","22.537","0.002","92.188","0.002","91.35","0.002","97.128","0.002","3809.1","0.6","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C152 H139 Cl12 Cu6 N25 O8 S6 -","- C152 H139 Cl12 Cu6 N25 O8 S6 -","- C152 H139 Cl12 Cu6 N25 O8 S6 -","1","0.5","","Zhang, Yong; Chen, Li-Yuan; Yin, Wen-Xing; Yin, Jun; Zhang, Shi-Bing; Liu, Chang-Lin","The chelation targeting metal-Aβ40 aggregates may lead to formation of Aβ40 oligomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4830","4833","10.1039/c1dt00020a","","","0.71073","MoKα","","0.0844","0.054","","","0.1406","0.1612","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015704","10.0651","0.0006","6.0997","0.0004","16.8565","0.001","90","","91.991","0.012","90","","1034.26","0.11","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 N4 S -","- C25 H19 N4 S -","- C50 H38 N8 S2 -","2","1","","Zhang, Yong; Chen, Li-Yuan; Yin, Wen-Xing; Yin, Jun; Zhang, Shi-Bing; Liu, Chang-Lin","The chelation targeting metal-Aβ40 aggregates may lead to formation of Aβ40 oligomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4830","4833","10.1039/c1dt00020a","","","0.71073","MoKα","","0.0919","0.0657","","","0.1237","0.1336","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015705","33.495","0.003","8.968","0.0007","17.7961","0.0013","90","","94.351","0.001","90","","5330.2","0.7","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H44 Cl4 N8 O S2 Zn2 -","- C51 H44 Cl4 N8 O S2 Zn2 -","- C204 H176 Cl16 N32 O4 S8 Zn8 -","4","0.5","","Zhang, Yong; Chen, Li-Yuan; Yin, Wen-Xing; Yin, Jun; Zhang, Shi-Bing; Liu, Chang-Lin","The chelation targeting metal-Aβ40 aggregates may lead to formation of Aβ40 oligomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4830","4833","10.1039/c1dt00020a","","","0.71073","MoKα","","0.0628","0.0493","","","0.1657","0.175","","","","","","1.108","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015706","8.2964","0.0006","9.653","0.0003","11.393","","105.882","0.004","99.171","0.006","104.865","0.003","821.94","0.07","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H17 Mn N4 O5 -","- C16 H17 Mn N4 O5 -","- C32 H34 Mn2 N8 O10 -","2","1","","Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai","Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4678","4686","10.1039/c1dt00022e","","x-ray","0.71073","MoKα","","0.0596","0.0353","","","0.0645","0.0699","","","","","","1.022","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015707","8.8389","0.001","9.665","0.002","15.97","0.002","90","","94.446","0.01","90","","1360.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu N8 O4 -","- C26 H34 Cu N8 O4 -","- C52 H68 Cu2 N16 O8 -","2","0.5","","Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai","Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4678","4686","10.1039/c1dt00022e","","x-ray","0.71073","MoKα","","0.1005","0.0481","","","0.1188","0.1387","","","","","","1.016","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015708","9.8965","0.0008","11.6847","0.0005","15.307","0.001","82.558","0.004","73.358","0.007","76.584","0.005","1645.9","0.2","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C32 H34 Cl3 N6 O2 P Ru -","- C32 H34 Cl3 N6 O2 P Ru -","- C64 H68 Cl6 N12 O4 P2 Ru2 -","2","1","","Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai","Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4678","4686","10.1039/c1dt00022e","","x-ray","0.71073","MoKα","","0.0557","0.0357","","","0.0751","0.081","","","","","","1.029","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015709","10.0431","0.0005","11.6105","0.0005","15.3823","0.001","82.767","0.004","73.575","0.005","76.413","0.004","1668.91","0.16","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C33 H34 Cl3 N4 O3 P Ru -","- C33 H34 Cl3 N4 O3 P Ru -","- C66 H68 Cl6 N8 O6 P2 Ru2 -","2","1","","Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai","Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4678","4686","10.1039/c1dt00022e","","x-ray","0.71073","MoKα","","0.0355","0.0264","","","0.0691","0.0724","","","","","","1.116","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015710","10.2222","0.0009","11.7705","0.001","15.5181","0.0013","81.278","0.001","71.154","0.001","77.078","0.001","1715.9","0.3","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C31 H31 Cl4 N4 O4 P Ru S -","- C31 H31 Cl4 N4 O4 P Ru S -","- C62 H62 Cl8 N8 O8 P2 Ru2 S2 -","2","1","","Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai","Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4678","4686","10.1039/c1dt00022e","","x-ray","0.71073","MoKα","","0.0736","0.0533","","","0.139","0.1526","","","","","","1.046","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015711","10.6628","0.0002","15.7409","0.0003","20.5025","0.0004","90","","90","","90","","3441.18","0.11","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H28 Fe N2 O2 -","- C16 H28 Fe N2 O2 -","- C128 H224 Fe8 N16 O16 -","8","1","","Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P.","Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5881","5890","10.1039/c1dt10024f","","","0.71073","MoKα","","0.0356","0.0283","","","0.071","0.0747","","","","","","1.045","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015712","10.626","0.0002","15.6935","0.0003","20.6601","0.0004","90","","90","","90","","3445.26","0.11","150","2","150","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H28 N2 O2 Zn -","- C16 H28 N2 O2 Zn -","- C128 H224 N16 O16 Zn8 -","8","1","","Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P.","Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5881","5890","10.1039/c1dt10024f","","","0.71073","MoKα","","0.0364","0.0256","","","0.0616","0.0656","","","","","","1.029","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015713","10.9902","0.0009","15.5889","0.0013","18.9999","0.0015","76.706","0.004","86.343","0.004","83.931","0.004","3147.6","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H81 F6 Fe N3 O9 S2 -","- C59 H81 F6 Fe N3 O9 S2 -","- C118 H162 F12 Fe2 N6 O18 S4 -","2","1","","Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P.","Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5881","5890","10.1039/c1dt10024f","","","0.71073","MoKα","","0.0572","0.0392","","","0.0937","0.1037","","","","","","1.019","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015714","23.7223","0.0002","12.069","0.0001","11.7799","0.0001","90","","107.93","","90","","3208.84","0.05","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 Fe N2 O2 -","- C34 H48 Fe N2 O2 -","- C136 H192 Fe4 N8 O8 -","4","0.5","","Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P.","Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5881","5890","10.1039/c1dt10024f","","","0.71073","MoKα","","0.0537","0.0376","","","0.0888","0.0965","","","","","","1.028","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015715","9.9587","0.0001","10.9893","0.0001","16.4658","0.0001","84.78","","76.17","","65.85","","1596.57","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 N2 O2 Zn -","- C34 H48 N2 O2 Zn -","- C68 H96 N4 O4 Zn2 -","2","1","","Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P.","Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5881","5890","10.1039/c1dt10024f","","","0.71073","MoKα","","0.0305","0.0262","","","0.0702","0.0727","","","","","","1.047","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015716","13.78","0.004","13.921","0.004","22.471","0.007","90","","90","","90","","4311","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H38 Fe4 N30 O4 -","- C30 H38 Fe4 N30 O4 -","- C120 H152 Fe16 N120 O16 -","4","0.5","","Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik","Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5762","5773","10.1039/c1dt10028a","","","0.71073","MoKα","","0.1369","0.0481","","","0.095","0.1233","","","","","","0.82","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7015717","8.544","0.003","18.177","0.007","12.538","0.005","90","","101.358","0.008","90","","1909.1","1.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H32 Co3 N20 O8 -","- C28 H32 Co3 N19 O5 -","- C56 H64 Co6 N38 O10 -","2","0.5","","Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik","Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5762","5773","10.1039/c1dt10028a","","","0.71073","MoKα","","0.1461","0.0677","","","0.1441","0.1877","","","","","","0.99","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015718","8.4373","0.0007","11.4202","0.0009","19.3899","0.0016","90","","94.095","0.002","90","","1863.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Co N5 O S2 -","- C16 H17 Co N5 O S2 -","- C64 H68 Co4 N20 O4 S8 -","4","1","","Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik","Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5762","5773","10.1039/c1dt10028a","","","0.71073","MoKα","","0.1297","0.0615","","","0.1303","0.176","","","","","","1.061","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015719","8.4629","0.0009","11.5128","0.0012","19.611","0.002","90","","94.807","0.003","90","","1904","0.3","195","2","195","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Fe N5 O S2 -","- C16 H17 Fe N5 O S2 -","- C64 H68 Fe4 N20 O4 S8 -","4","1","","Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik","Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5762","5773","10.1039/c1dt10028a","","","0.71073","MoKα","","0.1677","0.0608","","","0.1211","0.1705","","","","","","0.995","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015720","8.6742","0.0008","13.3698","0.0013","13.6701","0.0012","90","","98.15","0.002","90","","1569.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Mn N9 O -","- C14 H16 Mn N9 O -","- C56 H64 Mn4 N36 O4 -","4","1","","Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik","Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5762","5773","10.1039/c1dt10028a","","","0.71073","MoKα","","0.0861","0.0436","","","0.0888","0.1402","","","","","","1.183","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015721","8.3632","0.0012","11.6074","0.0017","9.7721","0.0014","90","","93.997","0.003","90","","946.3","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H17 Mn N5 O S2 -","- C16 H17 Mn N5 O S2 -","- C32 H34 Mn2 N10 O2 S4 -","2","1","","Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik","Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5762","5773","10.1039/c1dt10028a","","","0.71073","MoKα","","0.0856","0.0696","","","0.1315","0.1384","","","","","","1.083","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015722","7.389","0.0001","15.962","0.0003","17.759","0.0004","90","","90","","90","","2094.55","0.07","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C18 H20 Ag2 N4 O8 -","- C18 H20 Ag2 N4 O8 -","- C72 H80 Ag8 N16 O32 -","4","0.5","","Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5483","5493","10.1039/c1dt10029g","","","0.71073","MoKα","","0.0642","0.0359","","","0.0868","0.1014","","","","","","1.042","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015723","10.347","0.0002","10.843","0.0002","11.292","0.0002","64.703","0.001","70.872","0.001","82.471","0.001","1082.09","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H22 Ag F3 N2 O4.5 -","- C20.5 H20 Ag F3 N2 O4.5 -","- C41 H40 Ag2 F6 N4 O9 -","2","1","","Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5483","5493","10.1039/c1dt10029g","","","0.71073","MoKα","","0.0564","0.0485","","","0.1344","0.1409","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015724","10.718","0.0002","11.26","0.0002","20.766","0.0005","75.779","0.001","81.104","0.001","64.377","0.001","2187.07","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43 Ag2 F6 N5 O8 -","- C40 H40 Ag2 F6 N4 O8 -","- C80 H80 Ag4 F12 N8 O16 -","2","1","","Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5483","5493","10.1039/c1dt10029g","","","0.71073","MoKα","","0.065","0.0416","","","0.0899","0.0972","","","","","","1.029","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015725","14.396","0.0002","14.396","0.0002","35.383","0.0007","90","","90","","120","","6350.52","0.18","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C117.6 H144 Ag4 B4 F16 N12 O14.4 -","- C117.6 H144 Ag4 B4 F16 N12 O14.4 -","- C235.2 H288 Ag8 B8 F32 N24 O28.8 -","2","0.166667","","Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5483","5493","10.1039/c1dt10029g","","","0.71073","MoKα","","0.1332","0.0594","","","0.105","0.1268","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015726","13.562","0.0001","14.2","0.0001","14.246","0.0002","103.616","0.001","113.747","0.001","103.917","0.001","2260.62","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H50 Ag F6 N5 O5 P -","- C45 H50 Ag F6 N5 O5 P -","- C90 H100 Ag2 F12 N10 O10 P2 -","2","1","","Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5483","5493","10.1039/c1dt10029g","","","0.71073","MoKα","","0.077","0.0413","","","0.0833","0.0944","","","","","","1.014","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015727","13.53","0.0003","14.301","0.0004","14.367","0.0003","103.86","0.001","113.574","0.001","103.746","0.001","2293.51","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H50 Ag F6 N5 O5 Sb -","- C45 H50 Ag F6 N5 O5 Sb -","- C90 H100 Ag2 F12 N10 O10 Sb2 -","2","1","","Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5483","5493","10.1039/c1dt10029g","","","0.71073","MoKα","","0.0567","0.0342","","","0.0702","0.0783","","","","","","1.036","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015728","21.722","0.0003","11.465","0.0002","15.482","0.0002","90","","92.394","0.001","90","","3852.31","0.1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Ag F6 N4 O4 Sb -","- C36 H40 Ag F6 N4 O4 Sb -","- C144 H160 Ag4 F24 N16 O16 Sb4 -","4","0.5","","Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5483","5493","10.1039/c1dt10029g","","","0.71073","MoKα","","0.044","0.0288","","","0.0675","0.073","","","","","","1.033","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015729","21.676","0.0003","11.341","0.0001","15.751","0.0002","90","","93.566","0.001","90","","3864.53","0.08","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H40 Ag F3 N4 O7 S -","- C37 H40 Ag F3 N4 O7 S -","- C148 H160 Ag4 F12 N16 O28 S4 -","4","0.5","","Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5483","5493","10.1039/c1dt10029g","","","0.71073","MoKα","","0.058","0.0419","","","0.0904","0.0952","","","","","","1.204","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015730","25.4805","0.0012","7.7565","0.0005","17.8684","0.0007","90","","133.701","0.003","90","","2553.1","0.3","150","2","150","2","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- C27 H36 N6 -","- C27 H36 N6 -","- C108 H144 N24 -","4","1","","Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai","Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6547","6554","10.1039/c1dt10032g","","x-ray","0.71073","MoKα","","0.0541","0.0423","","","0.1074","0.1141","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015731","26.0261","0.0006","7.922","0.0002","16.4224","0.0005","90","","127.099","0.004","90","","2700.62","0.19","220","2","220","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H38 N4 O S -","- C28 H38 N4 O S -","- C112 H152 N16 O4 S4 -","4","1","","Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai","Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6547","6554","10.1039/c1dt10032g","","","0.71073","MoKα","","0.0582","0.0439","","","0.101","0.1091","","","","","","1.032","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015732","8.8408","0.0003","11.2369","0.0004","27.045","0.0009","90","","93.068","0.002","90","","2682.89","0.16","230","2","230","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C27 H40 N6 -","- C27 H40 N6 -","- C108 H160 N24 -","4","2","","Godau, Tom; Bleifuß, Sascha M; Müller, Astrid L; Roth, Thomas; Hoffmann, Susanne; Heinemann, Frank W.; Burzlaff, Nicolai","Cu(i) catalysed cyclopropanation with enantiopure scorpionate type ligands derived from (+)-camphor or (-)-menthone.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6547","6554","10.1039/c1dt10032g","","x-ray","0.71073","MoKα","","0.0753","0.0533","","","0.1328","0.1485","","","","","","1.021","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015733","9.1989","0.0018","9.3074","0.0019","11.665","0.002","92.37","0.03","109.46","0.03","112.98","0.03","849.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cu2 N4 O13 Sr -","- C10 H12 Cu2 N4 O13 Sr -","- C20 H24 Cu4 N8 O26 Sr2 -","2","1","","Chen, Yanmei; Zheng, Lina; She, Shixiong; Chen, Zhou; Hu, Bin; Li, Yahong","Two novel heterometallic Cu(II)-Sr(II) coordination polymers based on 3,5-pyrazoledicarboxylic acid: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4970","4975","10.1039/c1dt10034c","","","0.71073","MoKα","","0.0245","0.022","","","0.0585","0.06","","","","","","1.144","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015734","11.5093","0.0002","11.5093","0.0002","41.8662","0.0011","90","","90","","90","","5545.8","0.2","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C32 H52 Cu4 N16 O32 Sr2 -","- C32 H52 Cu4 N16 O32 Sr2 -","- C128 H208 Cu16 N64 O128 Sr8 -","4","1","","Chen, Yanmei; Zheng, Lina; She, Shixiong; Chen, Zhou; Hu, Bin; Li, Yahong","Two novel heterometallic Cu(II)-Sr(II) coordination polymers based on 3,5-pyrazoledicarboxylic acid: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4970","4975","10.1039/c1dt10034c","","","0.71073","MoKα","","0.0928","0.0614","","","0.1476","0.1589","","","","","","1.06","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015735","16.679","0.005","15.389","0.005","17.057","0.005","90","","90","","90","","4378","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Ir N2 P -","- C24 H29 Ir N2 P -","- C192 H232 Ir8 N16 P8 -","8","1","","Leonard, Nadia G.; Williard, Paul G.; Bernskoetter, Wesley H.","Synthesis and coordination chemistry of organoiridium complexes supported by an anionic tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4300","4306","10.1039/c1dt10037h","","","0.71073","MoKα","","0.0599","0.0477","","","0.1209","0.1315","","","","","","1.047","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015736","10.255","0.005","16.564","0.008","15.548","0.008","90","","98.231","0.006","90","","2614","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","wb12nov10","","","- C27 H35 I Ir N2 O P -","- C27 H35 I Ir N2 O P -","- C108 H140 I4 Ir4 N8 O4 P4 -","4","1","","Leonard, Nadia G.; Williard, Paul G.; Bernskoetter, Wesley H.","Synthesis and coordination chemistry of organoiridium complexes supported by an anionic tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4300","4306","10.1039/c1dt10037h","","","0.71073","","","0.1052","0.0812","","","0.2085","0.2387","","","","","","1.003","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015737","10.2711","0.0005","39.2279","0.0018","20.6979","0.0011","90","","100.241","0.005","90","","8206.6","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H56 Cl4 Co P4 -","- C124 H56 Cl4 Co P4 -","- C496 H224 Cl16 Co4 P16 -","4","0.5","","Konarev, Dmitri V.; Kuźmin, Alexey V; Simonov, Sergey V.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N.","Structure and properties of ionic fullerene complex Co(+)(dppe)2·(C60˙-)·(C6H4Cl2)2: distortion of the ordered fullerene cage of C60˙- radical anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4453","4458","10.1039/c1dt10039d","","","0.71073","MoKα","","0.043","0.0328","","","0.0841","0.0877","","","","","","1.065","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015738","43.2","0.009","11.7","0.002","10.682","0.002","90","","90","","90","","5399.1","1.8","223","","223","","","","","","","","","6","P c a 21","P 2c -2ac","29","[Fe(TiPrP)(2-MeBzIm)2]ClO4","[(5,10,15,20-tetraisopropylporphyrinato)iron(III) (2-methylbenzimidazole)2]perchlorate","","- C50 H54 Cl7 Fe N8 O4 -","- C50 H54 Cl7 Fe N8 O4 -","- C200 H216 Cl28 Fe4 N32 O16 -","4","1","","Ikezaki, Akira; Nakamura, Mikio","Formation and characterization of a six-coordinate iron(III) complex with the most ruffled porphyrin ring.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3455","3458","10.1039/c1dt10042d","","","0.71073","MoKα","","0.1042","0.0641","","","0.1307","0.1487","","","","","","0.916","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015739","9.467","0.0019","40.94","0.008","12.708","0.003","90","","98.23","0.03","90","","4874.6","1.8","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(TiPrP)(HIm)2]ClO4","[(5,10,15,20-tetraisopropylporphyrinato)iron(III) (imidazole)2]perchlorate","","- C45 H57 Cl4 Fe N8 O4 -","- C45 H57 Cl4 Fe N8 O4 -","- C180 H228 Cl16 Fe4 N32 O16 -","4","1","","Ikezaki, Akira; Nakamura, Mikio","Formation and characterization of a six-coordinate iron(III) complex with the most ruffled porphyrin ring.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3455","3458","10.1039/c1dt10042d","","","0.71073","MoKα","","0.1143","0.0742","","","0.1952","0.2139","","","","","","1.042","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015740","28.061","0.006","28.125","0.006","14.303","0.003","90","","90","","90","","11288","4","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C154 H218 Dy6 Mn12 N16 O98 -","- C154 H180 Dy6 Mn12 N16 O87 -","- C308 H360 Dy12 Mn24 N32 O174 -","2","0.5","","Zheng, Yong; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Enantiopure sandwich-type nonanuclear Ln(III)3Mn(III)6 clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4035","4037","10.1039/c1dt10044k","","","0.71073","MoKα","","0.058","0.0495","","","0.1243","0.1291","","","","","","1.065","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015741","27.991","0.006","28.123","0.006","14.285","0.003","90","","90","","90","","11245","4","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C77 H109 Mn6 N8 O49 Tb3 -","- C77 H91 Mn6 N8 O43 Tb3 -","- C308 H364 Mn24 N32 O172 Tb12 -","4","1","","Zheng, Yong; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Enantiopure sandwich-type nonanuclear Ln(III)3Mn(III)6 clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4035","4037","10.1039/c1dt10044k","","","0.71073","MoKα","","0.0785","0.0651","","","0.1746","0.1819","","","","","","1.036","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015742","21.056","0.003","16.647","0.002","17.45","0.003","90","","104.873","0.004","90","","5911.6","1.5","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 B Co F4 N8 O2 S2 -","- C28 H18 B Co F4 N8 O2 S2 -","- C224 H144 B8 Co8 F32 N64 O16 S16 -","8","1","","Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.","Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4623","4635","10.1039/c1dt10047e","","","0.71075","MoKα","","0.0854","0.0836","","","0.2331","0.2351","","","","","","1.127","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015743","13.1328","0.0012","29.758","0.003","27.266","0.003","90","","104.666","0.002","90","","10308.5","1.8","158","2","158","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 B2 Co5 F14 N30 O16 S6 Si -","- C84 H60 B2 Co5 F14 N30 O6 S6 Si -","- C336 H240 B8 Co20 F56 N120 O24 S24 Si4 -","4","1","","Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.","Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4623","4635","10.1039/c1dt10047e","","","0.71075","MoKα","","0.1152","0.0965","","","0.2134","0.2244","","","","","","1.142","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015744","14.7586","0.0016","14.7586","0.0016","27.279","0.003","90","","90","","90","","5941.8","1.1","153","2","153","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H40 Cl4 Cu4 N28 O24 -","- C36 H32 Cl4 Cu4 N28 O24 -","- C144 H128 Cl16 Cu16 N112 O96 -","4","0.25","","Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.","Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4623","4635","10.1039/c1dt10047e","","","0.71075","MoKα","","0.083","0.0813","","","0.2364","0.239","","","","","","1.113","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015745","19.798","0.002","23.098","0.002","32.469","0.003","90","","90","","90","","14848","2","153","2","153","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C52 H80 N24 Ni4 O24 -","- C52 H80 N24 Ni4 O24 -","- C416 H640 N192 Ni32 O192 -","8","0.25","","Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.","Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4623","4635","10.1039/c1dt10047e","","","0.71075","MoKα","","0.0713","0.0703","","","0.1706","0.1711","","","","","","1.207","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015746","17.217","0.004","17.217","0.004","11.169","0.003","90","","90","","90","","3310.8","1.4","153","2","153","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C40 H56 N24 Ni4 O24 -","- C40 H56 N24 Ni4 O24 -","- C80 H112 N48 Ni8 O48 -","2","0.25","","Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.","Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4623","4635","10.1039/c1dt10047e","","","0.71075","MoKα","","0.1113","0.1088","","","0.2611","0.2633","","","","","","1.253","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015747","18.517","0.0004","18.517","0.0004","11.0066","0.0003","90","","90","","90","","3773.94","0.15","158","2","158","2","","","","","","","","7","I -4","I -4","82","","","","- C44 H58 Cu4 F12 N20 O25 S4 -","- C44 H52 Cu4 F12 N20 O25 S4 -","- C88 H104 Cu8 F24 N40 O50 S8 -","2","0.25","","Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.","Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4623","4635","10.1039/c1dt10047e","","","0.71075","MoKα","","0.0357","0.0353","","","0.1024","0.1027","","","","","","1.089","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015748","19.148","0.004","19.407","0.004","16.292","0.003","90","","102.319","0.004","90","","5915","2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H55 Mn4 N18 O16.5 -","- C48 H55 Mn4 N18 O16.5 -","- C192 H220 Mn16 N72 O66 -","4","0.5","","Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.","Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4623","4635","10.1039/c1dt10047e","","","0.71075","MoKα","","0.0507","0.0497","","","0.1341","0.1351","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015749","11.2858","0.0017","12.7841","0.0017","19.247","0.003","90","","108.798","0.003","90","","2628.8","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 Mn4 N18 O14 -","- C44 H44 Mn4 N18 O14 -","- C88 H88 Mn8 N36 O28 -","2","0.5","","Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.","Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4623","4635","10.1039/c1dt10047e","","","0.71075","MoKα","","0.0887","0.0688","","","0.1423","0.1555","","","","","","1.11","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015750","12.45635","0.00019","37.8723","0.0004","13.4521","0.0002","90","","111.277","0.0018","90","","5913.48","0.16","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57.75 H58.5 Cl3.5 F6 N2 O P3 Ru S2 -","- C57.75 H58.5 Cl3.5 F6 N2 O P3 Ru S2 -","- C231 H234 Cl14 F24 N8 O4 P12 Ru4 S8 -","4","1","","Naeem, Saira; Thompson, Amber L.; White, Andrew J. P.; Delaude, Lionel; Wilton-Ely, James D E T","Dithiocarboxylate complexes of ruthenium(II) and osmium(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3737","3747","10.1039/c1dt10048c","","","0.71073","MoKα","","0.0678","0.0574","","","0.1145","0.1191","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015751","11.6709","0.0002","15.6018","0.0003","39.4957","0.0008","90","","93.1372","0.0008","90","","7180.9","0.2","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C77 H85 F6 N2 O3 P3 Ru S2 -","- C77 H85 F6 N2 O3 P3 Ru S2 -","- C308 H340 F24 N8 O12 P12 Ru4 S8 -","4","1","","Naeem, Saira; Thompson, Amber L.; White, Andrew J. P.; Delaude, Lionel; Wilton-Ely, James D E T","Dithiocarboxylate complexes of ruthenium(II) and osmium(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3737","3747","10.1039/c1dt10048c","","","0.71073","MoKα","","0.1314","0.0618","","0.0764","0.0501","0.0501","","","","","","1.0853","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015752","9.501","0.0019","21.015","0.004","16.246","0.005","90","","116.52","0.02","90","","2902.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Dy N2 O6 -","- C27 H29 Dy N2 O6 -","- C108 H116 Dy4 N8 O24 -","4","1","","Chen, Gong-Jun; Gao, Chun-Yan; Tian, Jin-Lei; Tang, Jinkui; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination-perturbed single-molecule magnet behaviour of mononuclear dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5579","5583","10.1039/c1dt10050e","","","0.71073","MoKα","","0.0656","0.0396","","","0.0763","0.082","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015753","11.193","0.002","9.569","0.0019","15.559","0.005","90","","123.63","0.02","90","","1387.5","0.7","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C29 H25 Dy N6 O9 -","- C29 H25 Dy N6 O9 -","- C58 H50 Dy2 N12 O18 -","2","0.5","","Chen, Gong-Jun; Gao, Chun-Yan; Tian, Jin-Lei; Tang, Jinkui; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination-perturbed single-molecule magnet behaviour of mononuclear dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5579","5583","10.1039/c1dt10050e","","","0.71073","MoKα","","0.0328","0.031","","","0.1027","0.1034","","","","","","1.318","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015754","9.9241","0.0007","13.4542","0.0008","17.7747","0.0015","90","","90","","90","","2373.3","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 F12 Fe P2 -","- C20 H28 F12 Fe P2 -","- C80 H112 F48 Fe4 P8 -","4","1","","Stíbr, Bohumil; Bakardjiev, Mario; Hájková, Zuzana; Holub, Josef; Padělková, Zdenka; Růžička, Aleš; Kennedy, John D.","Polymethylated [Fe(η(6)-arene)(2)](2+) dications: methyl-group rearrangements and application of the EINS mechanism.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5916","5920","10.1039/c1dt10051c","","","0.71073","MoKα","","0.0636","0.0472","","","0.1001","0.1109","","","","","","1.12","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015755","15.5808","0.0007","9.7552","0.0013","13.2471","0.0012","90","","107.37","0.03","90","","1921.7","0.4","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 F12 Fe P2 -","- C16 H20 F12 Fe P2 -","- C64 H80 F48 Fe4 P8 -","4","0.5","","Stíbr, Bohumil; Bakardjiev, Mario; Hájková, Zuzana; Holub, Josef; Padělková, Zdenka; Růžička, Aleš; Kennedy, John D.","Polymethylated [Fe(η(6)-arene)(2)](2+) dications: methyl-group rearrangements and application of the EINS mechanism.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5916","5920","10.1039/c1dt10051c","","","0.71073","MoKα","","0.0477","0.0334","","","0.0682","0.0752","","","","","","1.103","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015756","13.178","0.003","13.694","0.003","22.121","0.005","86.75","0.03","81.62","0.03","61.9","0.03","3483.5","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.3 H86.7 Cl2.5 Co6 Eu N9.5 O44.85 -","- C31.293 H79.672 Cl2.5 Co6 Eu N9.5 O44.84 -","- C62.586 H159.344 Cl5 Co12 Eu2 N19 O89.68 -","2","1","","Orfanoudaki, Maria; Tamiolakis, Ioannis; Siczek, Milosz; Lis, Tadeusz; Armatas, Gerasimos S.; Pergantis, Spiros A.; Milios, Constantinos J.","Unique trigonal prism encapsulated Ln complexes: a [Co(II)6Eu] and a [Co(II)6Dy] cage.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4793","4796","10.1039/c1dt10052a","","","0.71073","MoKα","","0.1356","0.0563","","","0.1086","0.1184","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015757","13.196","0.004","13.731","0.005","22.27","0.006","87.14","0.03","81.55","0.03","62.18","0.04","3529","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.42 H82.86 Cl2.6 Co6 Dy N9.4 O44.7 -","- C31.411 H78.644 Cl2.6 Co6 Dy N9.4 O44.69 -","- C62.822 H157.288 Cl5.2 Co12 Dy2 N18.8 O89.38 -","2","1","","Orfanoudaki, Maria; Tamiolakis, Ioannis; Siczek, Milosz; Lis, Tadeusz; Armatas, Gerasimos S.; Pergantis, Spiros A.; Milios, Constantinos J.","Unique trigonal prism encapsulated Ln complexes: a [Co(II)6Eu] and a [Co(II)6Dy] cage.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4793","4796","10.1039/c1dt10052a","","","0.71073","MoKα","","0.0578","0.0391","","","0.0971","0.1009","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015758","9.0381","0.0006","9.5374","0.0006","9.7949","0.0006","91.109","0.002","90.152","0.002","97.145","0.003","837.6","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H48 N4 Ni O4 P2 S4 -","- C22 H48 N4 Ni O4 P2 S4 -","- C22 H48 N4 Ni O4 P2 S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Hahn, F. Ekkehardt","Highly efficient [Ni{iPrHNC(S)NP(S)(OiPr)2-1,3-N,S'}2]/PR3 (R3 = Me3, Me2Ph) complexes for the generation of Ni(0) for catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4806","4809","10.1039/c1dt10056d","","","0.71073","MoKα","","0.0226","0.0197","","","0.0541","0.0557","","","","","","1.032","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015759","8.8166","0.0001","9.8121","0.0001","10.7912","0.0002","103.539","0.0007","107.559","0.0006","102.117","0.0007","824.72","0.02","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H44 N4 Ni O4 P2 S4 -","- C20 H44 N4 Ni O4 P2 S4 -","- C20 H44 N4 Ni O4 P2 S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Hahn, F. Ekkehardt","Highly efficient [Ni{iPrHNC(S)NP(S)(OiPr)2-1,3-N,S'}2]/PR3 (R3 = Me3, Me2Ph) complexes for the generation of Ni(0) for catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4806","4809","10.1039/c1dt10056d","","","0.71073","MoKα","","0.0395","0.0307","","","0.086","0.091","","","","","","1.067","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015760","8.7411","0.0004","9.4953","0.0004","10.2409","0.0005","94.511","0.002","99.974","0.002","94.849","0.002","830.37","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H23 N2 O2 P S2 -","- C10 H23 N2 O2 P S2 -","- C20 H46 N4 O4 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Hahn, F. Ekkehardt","Highly efficient [Ni{iPrHNC(S)NP(S)(OiPr)2-1,3-N,S'}2]/PR3 (R3 = Me3, Me2Ph) complexes for the generation of Ni(0) for catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4806","4809","10.1039/c1dt10056d","","","0.71073","MoKα","","0.0322","0.0276","","","0.077","0.0811","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015761","16.5874","0.0007","12.8958","0.0006","21.8166","0.001","90","","107.913","0.002","90","","4440.5","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C88 H94 Ag2 Cl4 N4 O4 P6 S4 -","- C88 H94 Ag2 Cl4 N4 O4 P6 S4 -","- C176 H188 Ag4 Cl8 N8 O8 P12 S8 -","2","0.5","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Hahn, F. Ekkehardt","Highly efficient [Ni{iPrHNC(S)NP(S)(OiPr)2-1,3-N,S'}2]/PR3 (R3 = Me3, Me2Ph) complexes for the generation of Ni(0) for catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4806","4809","10.1039/c1dt10056d","","","0.71073","MoKα","","0.0564","0.0429","","","0.1255","0.1342","","","","","","1.053","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015762","18.9299","0.0011","18.9299","0.0011","39.504","0.005","90","","90","","120","","12259.4","1.9","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C95 H74 Mn3 O18 -","- C93 H63 Mn3 O16 -","- C558 H378 Mn18 O96 -","6","0.333333","","Taleb, Nassiba; Richards, Victoria J.; Argent, Stephen P.; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Champness, Neil R.","A mixed valence manganese triangle in a trigonal lattice: structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5891","5894","10.1039/c1dt10057b","","","0.71073","MoKα","","0.124","0.0891","","","0.1882","0.2057","","","","","","1.125","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015763","16.5576","0.0002","18.5861","0.0003","19.5813","0.0003","90","","90","","90","","6025.97","0.15","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H106 Li Mg N7 Si6 -","- C48 H106 Li Mg N7 Si6 -","- C192 H424 Li4 Mg4 N28 Si24 -","4","1","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.0571","0.0358","","","0.0558","0.0587","","","","","","0.872","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015764","17.28","0.0005","17.3017","0.0005","22.0598","0.0006","90","","90.512","0.005","90","","6595","0.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H114 Li Mg N7 Si6 -","- C55 H114 Li Mg N7 Si6 -","- C220 H456 Li4 Mg4 N28 Si24 -","4","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","1.5418","CuKα","","0.1122","0.055","","","0.1098","0.1257","","","","","","0.835","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015765","11.7763","0.0003","35.6239","0.0008","14.4655","0.0003","90","","96.227","0.002","90","","6032.7","0.2","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H106 Li Mg N7 Si6 -","- C45 H106 Li Mg N7 Si6 -","- C180 H424 Li4 Mg4 N28 Si24 -","4","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.0701","0.0418","","","0.0602","0.0638","","","","","","0.801","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015766","17.5291","0.0005","23.5696","0.0006","33.9026","0.0009","90","","90","","90","","14007","0.7","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58.5 H118 Mg N7 Na Si6 -","- C58.5 H118 Mg N7 Na Si6 -","- C468 H944 Mg8 N56 Na8 Si48 -","8","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.1425","0.0606","","","0.0744","0.0868","","","","","","0.801","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015767","16.3363","0.0004","17.3342","0.0004","21.8477","0.0005","90","","90","","90","","6186.8","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H106 Mg N7 Na Si6 -","- C45 H106 Mg N7 Na Si6 -","- C180 H424 Mg4 N28 Na4 Si24 -","4","1","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.0905","0.0549","","","0.1158","0.1246","","","","","","0.927","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015768","12.2778","0.0003","20.7952","0.0006","18.5454","0.0006","90","","91.334","0.003","90","","4733.7","0.2","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H80 K Mg N5 Si6 -","- C33 H80 K Mg N5 Si6 -","- C132 H320 K4 Mg4 N20 Si24 -","4","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.0707","0.0421","","","0.0551","0.0587","","","","","","0.798","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015769","11.7004","0.0003","12.1366","0.0003","16.3796","0.0005","103.209","0.002","90.7","0.002","92.796","0.002","2261.07","0.11","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H76 K Mg N5 Si6 -","- C28 H76 K Mg N5 Si6 -","- C56 H152 K2 Mg2 N10 Si12 -","2","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.051","0.0346","","","0.0671","0.0699","","","","","","0.889","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015770","11.474","0.0003","13.3115","0.0004","8.5537","0.0003","90","","104.148","0.002","90","","1266.83","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Mo N4 O5 -","- C8 H12 Mo N4 O5 -","- C32 H48 Mo4 N16 O20 -","4","1","","Herbert, Matthew; Montilla, Francisco; Galindo, Agustín; Moyano, Raquel; Pastor, Antonio; Alvarez, Eleuterio","Influence of N-donor bases and the solvent in oxodiperoxomolybdenum catalysed olefin epoxidation with hydrogen peroxide in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5210","5219","10.1039/c1dt10065c","","","0.71073","MoKα","","0.0219","0.019","","","0.0507","0.0515","","","","","","1.066","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015771","10.4261","0.0002","10.4261","0.0002","10.4261","0.0002","90","","90","","90","","1133.35","0.04","293","2","293","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ga8.35 K8 Si37.65 -","- Ga8.3524 K8 Si37.6476 -","- Ga8.3524 K8 Si37.6476 -","1","0.0208333","","Imai, Motoharu; Sato, Akira; Udono, Haruhiko; Imai, Yoji; Tajima, Hiroyuki","Semiconducting behavior of type-I Si clathrate K8Ga8Si38.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4045","4047","10.1039/c1dt10071h","","","0.71073","MoKα","","0.0136","0.013","","","0.0326","0.0327","","","","","","1.098","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015772","8.5998","0.0002","8.7747","0.0002","9.4768","0.0002","114.04","0.001","95.037","0.001","114.37","0.001","566.06","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H18 Cl6 N10 P6 -","- C8 H18 Cl6 N10 P6 -","- C8 H18 Cl6 N10 P6 -","1","0.5","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Shaw, Robert A.","Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5307","5315","10.1039/c1dt10073d","","","0.71073","MoKα","","0.0236","0.0222","","","0.0571","0.058","","","","","","1.099","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015773","11.6755","0.0017","8.9298","0.0013","23.758","0.003","90","","95.549","0.002","90","","2465.4","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl8 N8 P6 -","- C6 H14 Cl8 N8 P6 -","- C24 H56 Cl32 N32 P24 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Shaw, Robert A.","Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5307","5315","10.1039/c1dt10073d","","","0.6709","synchrotron","","0.0913","0.0746","","","0.1749","0.1832","","","","","","1.128","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015774","12.5263","0.0001","12.4818","0.0002","16.4619","0.0004","90","","90","","90","","2573.83","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl8 N8 O P6 -","- C6 H16 Cl8 N8 O P6 -","- C24 H64 Cl32 N32 O4 P24 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Shaw, Robert A.","Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5307","5315","10.1039/c1dt10073d","","","0.71073","MoKα","","0.0412","0.0337","","","0.0565","0.0581","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015775","14.6358","0.0002","16.3497","0.0002","12.3448","0.0001","90","","107.455","0.001","90","","2817.98","0.06","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H12 Cl8 N8 O P6 -","- C12 H12 Cl8 N8 O P6 -","- C48 H48 Cl32 N32 O4 P24 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Shaw, Robert A.","Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5307","5315","10.1039/c1dt10073d","","","0.71073","MoKα","","0.0332","0.0303","","","0.0662","0.0675","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015776","8.2907","0.0001","8.9556","0.0001","15.0072","0.0001","95.402","0.001","95.11","0.001","101.334","0.001","1081.05","0.02","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H6 Cl9 N7 O P6 -","- C3 H6 Cl9 N7 O P6 -","- C6 H12 Cl18 N14 O2 P12 -","2","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Shaw, Robert A.","Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5307","5315","10.1039/c1dt10073d","","","0.71073","MoKα","","0.0233","0.0206","","","0.0642","0.0747","","","","","","1.235","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015777","16.474","0.004","8.907","0.002","16.744","0.004","90","","110.525","0.005","90","","2300.9","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Br2 N4 Ni -","- C18 H32 Br2 N4 Ni -","- C72 H128 Br8 N16 Ni4 -","4","1","","Liu, Zhi-hong; Xu, Yan-Chao; Xie, Ling-Zhi; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Controlled synthesis of nickel(II) dihalides bearing two different or identical N-heterocyclic carbene ligands and the influence of carbene ligands on their structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4697","4706","10.1039/c1dt10077g","","","0.7107","MoKα","","0.0809","0.0668","","","0.1804","0.1906","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015778","16.28","0.004","8.7682","0.0016","16.734","0.004","90","","111.472","0.004","90","","2222.9","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl2 N4 Ni -","- C18 H32 Cl2 N4 Ni -","- C72 H128 Cl8 N16 Ni4 -","4","1","","Liu, Zhi-hong; Xu, Yan-Chao; Xie, Ling-Zhi; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Controlled synthesis of nickel(II) dihalides bearing two different or identical N-heterocyclic carbene ligands and the influence of carbene ligands on their structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4697","4706","10.1039/c1dt10077g","","","0.7107","MoKα","","0.071","0.0579","","","0.1089","0.1138","","","","","","1.182","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015779","12.552","0.0011","13.6298","0.0012","21.938","0.002","90","","103.117","0.002","90","","3655.3","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl2 N4 Ni -","- C36 H52 Cl2 N4 Ni -","- C144 H208 Cl8 N16 Ni4 -","4","1","","Liu, Zhi-hong; Xu, Yan-Chao; Xie, Ling-Zhi; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Controlled synthesis of nickel(II) dihalides bearing two different or identical N-heterocyclic carbene ligands and the influence of carbene ligands on their structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4697","4706","10.1039/c1dt10077g","","","0.7107","MoKα","","0.0501","0.0429","","","0.0835","0.0862","","","","","","1.136","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015780","12.663","0.002","13.596","0.002","22.415","0.004","90","","104.855","0.002","90","","3730.1","1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Br2 N4 Ni -","- C36 H52 Br2 N4 Ni -","- C144 H208 Br8 N16 Ni4 -","4","1","","Liu, Zhi-hong; Xu, Yan-Chao; Xie, Ling-Zhi; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Controlled synthesis of nickel(II) dihalides bearing two different or identical N-heterocyclic carbene ligands and the influence of carbene ligands on their structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4697","4706","10.1039/c1dt10077g","","","0.71075","MoKα","","0.1018","0.0912","","","0.2804","0.2927","","","","","","1.034","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015781","11.533","0.004","11.533","0.004","22.823","0.007","90","","90","","90","","3035.7","1.8","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H40 Br2 N4 Ni -","- C30 H40 Br2 N4 Ni -","- C120 H160 Br8 N16 Ni4 -","4","0.5","","Liu, Zhi-hong; Xu, Yan-Chao; Xie, Ling-Zhi; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Controlled synthesis of nickel(II) dihalides bearing two different or identical N-heterocyclic carbene ligands and the influence of carbene ligands on their structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4697","4706","10.1039/c1dt10077g","","","0.71075","MoKα","","0.0944","0.0868","","","0.2533","0.2654","","","","","","1.124","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015782","16.324","0.005","11.954","0.004","21.154","0.006","90","","90.93","0.05","90","","4127","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 Mg N2 O2 -","- C44 H72 Mg N2 O2 -","- C176 H288 Mg4 N8 O8 -","4","0.5","","Grala, Agnieszka; Ejfler, Jolanta; Jerzykiewicz, Lucjan B.; Sobota, Piotr","Chemoselective alcoholysis of lactide mediated by a magnesium catalyst: an efficient route to alkyl lactyllactate.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4042","4044","10.1039/c1dt10087d","","","0.71073","MoKα","","0.075","0.0406","","","0.0899","0.1011","","","","","","1.021","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015783","11.679","0.003","16.861","0.004","21.651","0.006","90","","99.88","0.03","90","","4200.3","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H69 N2 O6 P Si3 W2 -","- C27 H69 N2 O6 P Si3 W2 -","- C108 H276 N8 O24 P4 Si12 W8 -","4","1","","Kovalenko, Oleksandr O.; Brusylovets, Oleksii A.; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of ((i)PrO)3M≡M(O(i)Pr)3 (M = Mo, W) with low-coordinate phosphorus compounds. Formation of the first four-membered planar metallacycles, containing an M≡M triple bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4814","4817","10.1039/c1dt10099h","","","0.71073","MoKα","","0.0304","0.0196","","","0.042","0.0448","","","","","","1.034","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015784","11.643","0.003","16.741","0.004","21.756","0.006","90","","99.96","0.03","90","","4176.7","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H69 Mo2 N2 O6 P Si3 -","- C27 H69 Mo2 N2 O6 P Si3 -","- C108 H276 Mo8 N8 O24 P4 Si12 -","4","1","","Kovalenko, Oleksandr O.; Brusylovets, Oleksii A.; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of ((i)PrO)3M≡M(O(i)Pr)3 (M = Mo, W) with low-coordinate phosphorus compounds. Formation of the first four-membered planar metallacycles, containing an M≡M triple bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4814","4817","10.1039/c1dt10099h","","","0.71073","MoKα","","0.1298","0.0807","","","0.1104","0.1238","","","","","","1.156","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015785","9.439","0.003","17.008","0.005","25.776","0.007","90","","90","","90","","4138","2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H69 Mo2 N2 O6 P S Si2 -","- C28 H69 Mo2 N2 O6 P S Si2 -","- C112 H276 Mo8 N8 O24 P4 S4 Si8 -","4","1","","Kovalenko, Oleksandr O.; Brusylovets, Oleksii A.; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of ((i)PrO)3M≡M(O(i)Pr)3 (M = Mo, W) with low-coordinate phosphorus compounds. Formation of the first four-membered planar metallacycles, containing an M≡M triple bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4814","4817","10.1039/c1dt10099h","","","0.71073","MoKα","","0.0776","0.0451","","","0.0435","0.047","","","","","","0.898","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015786","11.76","0.003","13.424","0.004","16.339","0.005","88.52","0.03","86.5","0.03","64.5","0.03","2323.8","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H78 Mo2 N3 O6 P Si4 -","- C30 H78 Mo2 N3 O6 P Si4 -","- C60 H156 Mo4 N6 O12 P2 Si8 -","2","1","","Kovalenko, Oleksandr O.; Brusylovets, Oleksii A.; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of ((i)PrO)3M≡M(O(i)Pr)3 (M = Mo, W) with low-coordinate phosphorus compounds. Formation of the first four-membered planar metallacycles, containing an M≡M triple bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4814","4817","10.1039/c1dt10099h","","","0.71073","MoKα","","0.0559","0.0448","","","0.1128","0.1191","","","","","","1.133","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015787","18.802","0.004","12.883","0.003","8.48","0.0017","90","","95.07","0.03","90","","2046","0.8","168.15","","168.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C21 H33.5 Cu4 I4 N8.5 Se4 -","- C20 H32 Cu4 I4 N8 Se4 -","- C40 H64 Cu8 I8 N16 Se8 -","2","0.25","","Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L.","Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3711","3723","10.1039/c1dt10104h","","x-ray","0.71073","MoKα","","0.0425","0.0341","","","0.0778","0.0818","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015788","15.278","0.003","10.874","0.002","11.19","0.002","90","","118.56","0.03","90","","1632.8","0.7","168.15","","168.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cu I N4 Se2 -","- C10 H16 Cu I N4 Se2 -","- C40 H64 Cu4 I4 N16 Se8 -","4","0.5","","Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L.","Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3711","3723","10.1039/c1dt10104h","","x-ray","0.71073","MoKα","","0.0395","0.0323","","","0.0721","0.077","","","","","","1.132","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015789","15.062","0.006","10.726","0.002","11.085","0.002","90","","117.73","0.02","90","","1585.2","0.8","168.15","","168.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cu I N4 S2 -","- C10 H16 Cu I N4 S2 -","- C40 H64 Cu4 I4 N16 S8 -","4","0.5","","Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L.","Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3711","3723","10.1039/c1dt10104h","","x-ray","0.71073","MoKα","","0.0244","0.0237","","","0.0577","0.0583","","","","","","1.203","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015790","9.925","0.002","10.861","0.002","14.868","0.003","90","","92.02","0.03","90","","1601.7","0.5","168.15","","168.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cu I N4 S2 -","- C10 H16 Cu I N4 S2 -","- C40 H64 Cu4 I4 N16 S8 -","4","1","","Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L.","Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3711","3723","10.1039/c1dt10104h","","x-ray","0.71073","MoKα","","0.0422","0.0386","","","0.0916","0.0943","","","","","","1.039","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015791","10.348","0.002","9.3275","0.0019","16.123","0.003","90","","105.64","0.03","90","","1498.6","0.6","168.15","","168.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl Cu N4 S2 -","- C10 H16 Cl Cu N4 S2 -","- C40 H64 Cl4 Cu4 N16 S8 -","4","0.5","","Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L.","Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3711","3723","10.1039/c1dt10104h","","","0.71073","MoKα","","0.0318","0.0303","","","0.0753","0.0764","","","","","","1.123","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015792","15.794","0.003","7.0226","0.0014","14.263","0.003","90","","104.64","0.03","90","","1530.6","0.6","168","5","168","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl Cu N4 Se2 -","- C10 H16 Cl Cu N4 Se2 -","- C40 H64 Cl4 Cu4 N16 Se8 -","4","1","","Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L.","Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3711","3723","10.1039/c1dt10104h","","x-ray","0.71073","MoKα","","0.0797","0.0684","","","0.168","0.1868","","","","","","1.138","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015793","18.374","0.004","12.867","0.003","8.4581","0.0017","90","","96.71","0.03","90","","1986","0.8","168.15","","168.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C21 H33.5 Br4 Cu4 N8.5 Se4 -","- C20 H32 Br4 Cu4 N8 Se4 -","- C40 H64 Br8 Cu8 N16 Se8 -","2","0.25","","Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L.","Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3711","3723","10.1039/c1dt10104h","","x-ray","0.71073","MoKα","","0.0423","0.0379","","","0.1042","0.1079","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015794","10.385","0.002","9.583","0.0019","16.002","0.003","90","","104.15","0.03","90","","1544.2","0.6","168.15","","168.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Br Cu N4 S2 -","- C10 H16 Br Cu N4 S2 -","- C40 H64 Br4 Cu4 N16 S8 -","4","0.5","","Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L.","Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3711","3723","10.1039/c1dt10104h","","x-ray","0.71073","MoKα","","0.0404","0.0346","","","0.0842","0.0884","","","","","","1.15","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015795","10.297","0.002","10.39","0.002","14.824","0.003","90","","101.47","0.03","90","","1554.3","0.6","173.15","0.02","173.15","0.02","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Br Cu N4 Se2 -","- C10 H16 Br Cu N4 Se2 -","- C40 H64 Br4 Cu4 N16 Se8 -","4","0.5","","Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L.","Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3711","3723","10.1039/c1dt10104h","","x-ray","0.71073","MoKα","","0.0437","0.0389","","","0.0906","0.0955","","","","","","1.114","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015796","14.3776","0.0013","7.8923","0.0007","11.2349","0.001","90","","105.465","0.002","90","","1228.69","0.19","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl2 -","- C15 H10 Cl2 -","- C60 H40 Cl8 -","4","1","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","x-ray","0.71074","MoKα","","0.0495","0.0314","","","0.0768","0.0855","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015797","11.4288","0.0006","13.7141","0.0008","17.3825","0.001","94.734","0.004","106.928","0.003","108.301","0.003","2428.8","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42.25 H40.25 Cl11.75 P Pd -","- C42.25 H40.25 Cl11.75 P Pd -","- C84.5 H80.5 Cl23.5 P2 Pd2 -","2","1","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","x-ray","0.71074","MoKα","","0.0832","0.0533","","","0.1416","0.1641","","","","","","1.035","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015798","10.4687","0.0004","18.5853","0.0007","8.5376","0.0004","90","","110.274","0.002","90","","1558.2","0.11","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 Cl2 N Pd -","- C17 H13 Cl2 N Pd -","- C68 H52 Cl8 N4 Pd4 -","4","0.5","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","","0.71073","MoKα","","0.0514","0.0418","","","0.0789","0.0841","","","","","","1.141","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015799","15.7371","0.0008","16.6448","0.0009","7.4293","0.0004","90","","90","","90","","1946.04","0.18","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H18 Cl2 N O2.5 Pd -","- C18.5 H18 Cl2 N0.5 O2.5 Pd -","- C74 H72 Cl8 N2 O10 Pd4 -","4","0.5","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","","0.71073","MoKα","","0.083","0.0547","","","0.0999","0.1157","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015800","13.0238","0.0008","7.3625","0.0004","17.0969","0.0009","90","","92.697","0.003","90","","1637.57","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl2 F2 N Pd -","- C17 H11 Cl2 F2 N Pd -","- C68 H44 Cl8 F8 N4 Pd4 -","4","1","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","","0.71073","MoKα","","0.1635","0.0891","","","0.1297","0.1539","","","","","","1.185","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015801","9.4214","0.0003","17.6389","0.0005","18.9653","0.0005","90","","108.913","0.002","90","","2981.56","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 Cl2 P Pd -","- C33 H43 Cl2 P Pd -","- C132 H172 Cl8 P4 Pd4 -","4","1","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","x-ray","0.71074","MoKα","","0.0553","0.0361","","","0.0782","0.087","","","","","","1.028","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015802","11.911","0.0003","28.4762","0.0008","10.9615","0.0003","90","","110.442","0.002","90","","3483.79","0.17","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl5 O2 P Pd -","- C36 H30 Cl5 O2 P Pd -","- C144 H120 Cl20 O8 P4 Pd4 -","4","1","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","x-ray","0.71074","MoKα","","0.0459","0.0333","","","0.0801","0.0871","","","","","","1.025","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015803","9.9931","0.0006","14.9088","0.0009","18.2358","0.001","90","","90","","90","","2716.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 Cl2 F2 P Pd -","- C33 H23 Cl2 F2 P Pd -","- C132 H92 Cl8 F8 P4 Pd4 -","4","1","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","x-ray","0.71074","MoKα","","0.039","0.0332","","","0.0664","0.0691","","","","","","1.009","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015804","24.758","0.002","3.7984","0.0003","6.0626","0.0005","90","","90","","90","","570.13","0.08","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C15 H8 F2 O -","- C15 H8 F2 O -","- C30 H16 F4 O2 -","2","0.5","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","x-ray","0.71074","MoKα","","0.0295","0.0275","","","0.0705","0.0717","","","","","","1.085","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015805","9.3844","0.0002","10.926","0.0002","13.6043","0.0003","90","","90","","90","","1394.9","0.05","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)(dibromo)dicarbonylrhenium(II)","","- C10 H6 Br2 N4 O2 Re -","- C10 H6 Br2 N4 O2 Re -","- C40 H24 Br8 N16 O8 Re4 -","4","1","","Zobi, Fabio; Blacque, Olivier","Reactivity of 17 e- complex [Re(II)Br4(CO)2]2- with bridging aromatic ligands. Characterization and CO-releasing properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4994","5001","10.1039/c1dt10110b","","","0.71073","MoKα","","0.0331","0.027","","","0.0502","0.0511","","","","","","0.955","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015806","20.1957","0.0016","10.5929","0.0002","15.8194","0.0013","90","","137.672","0.015","90","","2278.9","0.7","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-bipyridine-κ<i>N</i>^1^)(dibromo)dicarbonylrhenium(II)","","- C22 H16 Br2 N4 O2 Re -","- C22 H16 Br2 N4 O2 Re -","- C88 H64 Br8 N16 O8 Re4 -","4","0.5","","Zobi, Fabio; Blacque, Olivier","Reactivity of 17 e- complex [Re(II)Br4(CO)2]2- with bridging aromatic ligands. Characterization and CO-releasing properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4994","5001","10.1039/c1dt10110b","","","0.71073","MoKα","","0.0299","0.0219","","","0.0416","0.0425","","","","","","0.953","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015807","7.7206","0.0003","17.3868","0.001","13.9806","0.0006","90","","97.836","0.004","90","","1859.18","0.15","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium hexabromo(tetracarbonyl)(μ-pyrazine-κ<i>N</i>^1^:κ<i>N</i>^4^)dirhenium(II) (2/1)","","- C12 H22 Br3 N2 O2 Re -","- C12 H22 Br3 N2 O2 Re -","- C48 H88 Br12 N8 O8 Re4 -","4","1","","Zobi, Fabio; Blacque, Olivier","Reactivity of 17 e- complex [Re(II)Br4(CO)2]2- with bridging aromatic ligands. Characterization and CO-releasing properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4994","5001","10.1039/c1dt10110b","","","0.71073","MoKα","","0.0931","0.0377","","","0.093","0.1023","","","","","","0.816","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015808","16.1336","0.0003","8.235","0.0001","17.0551","0.0003","90","","114.105","0.002","90","","2068.35","0.07","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tribromo(dicarbonyl)(pyridazine-κ<i>N</i>^1^)rhenium(II)","","- C14 H24 Br2 Cl N3 O2 Re -","- C14 H24 Br2 Cl N3 O2 Re -","- C56 H96 Br8 Cl4 N12 O8 Re4 -","4","1","","Zobi, Fabio; Blacque, Olivier","Reactivity of 17 e- complex [Re(II)Br4(CO)2]2- with bridging aromatic ligands. Characterization and CO-releasing properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4994","5001","10.1039/c1dt10110b","","","0.71073","MoKα","","0.0594","0.0356","","","0.0874","0.0906","","","","","","1.017","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015809","8.1131","0.0006","8.589","0.0006","28.428","0.002","90","","91.886","0.007","90","","1979.9","0.2","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bromo(dicarbonyl)tris(pyridazine-κ<i>N</i>^1^)rhenium(II) dichloromethane solvate","","- C15 H14 Br Cl2 N6 O2 Re -","- C15 H14 Br Cl2 N6 O2 Re -","- C60 H56 Br4 Cl8 N24 O8 Re4 -","4","1","","Zobi, Fabio; Blacque, Olivier","Reactivity of 17 e- complex [Re(II)Br4(CO)2]2- with bridging aromatic ligands. Characterization and CO-releasing properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4994","5001","10.1039/c1dt10110b","","","0.71073","MoKα","","0.0843","0.0351","","","0.0364","0.0405","","","","","","0.692","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015810","9.2762","0.0012","11.2082","0.0014","14.9861","0.0019","90","","90.472","0.002","90","","1558","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H17 Cl3 F10 N4 -","- C34 H17 Cl3 F10 N4 -","- C68 H34 Cl6 F20 N8 -","2","1","","Costa, Roshinee; Geier, 3rd, G Richard; Ziegler, Christopher J.","Structure and spectroscopic characterization of free base and metal complexes of 5,5-dimethyl-10,15-bis(pentafluorophenyl)isocorrole.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4384","4386","10.1039/c1dt10112a","","","0.71073","MoKα","","0.0388","0.0331","","","0.0771","0.0792","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015811","9.2791","0.0019","11.191","0.002","14.859","0.003","90","","90.678","0.003","90","","1542.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H15 Cl3 Cu F10 N4 -","- C34 H15 Cl3 Cu F10 N4 -","- C68 H30 Cl6 Cu2 F20 N8 -","2","1","","Costa, Roshinee; Geier, 3rd, G Richard; Ziegler, Christopher J.","Structure and spectroscopic characterization of free base and metal complexes of 5,5-dimethyl-10,15-bis(pentafluorophenyl)isocorrole.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4384","4386","10.1039/c1dt10112a","","","0.71073","MoKα","","0.0343","0.0302","","","0.0657","0.0671","","","","","","0.968","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015812","14.503","0.003","15.212","0.003","29.989","0.006","90","","91.308","0.004","90","","6614","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H19 F10 N4 O1.5 Zn -","- C34.5 H19 F10 N4 O1.5 Zn -","- C276 H152 F80 N32 O12 Zn8 -","8","2","","Costa, Roshinee; Geier, 3rd, G Richard; Ziegler, Christopher J.","Structure and spectroscopic characterization of free base and metal complexes of 5,5-dimethyl-10,15-bis(pentafluorophenyl)isocorrole.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4384","4386","10.1039/c1dt10112a","","","0.71073","MoKα","","0.1319","0.0795","","","0.2116","0.2409","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015813","11.4165","0.0015","13.335","0.002","15.599","0.002","90","","90","","90","","2374.8","0.6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","trifluoro(methanediylbis(diphenylphosphane) dioxide)antimony(iii)","trifluoro(methanediylbis(diphenylphosphane) dioxide)antimony(III)","","- C25 H22 F3 O2 P2 Sb -","- C25 H22 F3 O2 P2 Sb -","- C100 H88 F12 O8 P8 Sb4 -","4","1","","Levason, William; Light, Mark E.; Maheshwari, Seema; Reid, Gillian; Zhang, Wenjian","Unusual neutral ligand coordination to arsenic and antimony trifluoride.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5291","5297","10.1039/c1dt10113g","","","0.71073","MoKα","","0.0521","0.0427","","","0.0784","0.0828","","","","","","1.098","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015814","17.8949","0.0015","8.4721","0.001","16.1193","0.0015","90","","109.908","0.005","90","","2297.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(methanediylbis(dimethylphosphane) dioxide)bis(trifluoroantimony(iii))","bis(methanediylbis(dimethylphosphane) dioxide)bis(trifluoroantimony(III))","","- C10 H28 F6 O4 P4 Sb2 -","- C10 H28 F6 O4 P4 Sb2 -","- C40 H112 F24 O16 P16 Sb8 -","4","1","","Levason, William; Light, Mark E.; Maheshwari, Seema; Reid, Gillian; Zhang, Wenjian","Unusual neutral ligand coordination to arsenic and antimony trifluoride.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5291","5297","10.1039/c1dt10113g","","","0.71073","MoKα","","0.0407","0.0325","","","0.0622","0.0662","","","","","","1.133","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015815","9.7891","0.0015","11.664","0.002","12.503","0.002","65.839","0.01","77.987","0.01","80.634","0.01","1269.2","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Trifluoro(ethane-1,2-diylbis(diphenylphosphine) dioxide)antimony(iii)","Trifluoro(ethane-1,2-diylbis(diphenylphosphine) dioxide)antimony(III)","","- C26 H24 F3 O2 P2 Sb -","- C26 H24 F3 O2 P2 Sb -","- C52 H48 F6 O4 P4 Sb2 -","2","1","","Levason, William; Light, Mark E.; Maheshwari, Seema; Reid, Gillian; Zhang, Wenjian","Unusual neutral ligand coordination to arsenic and antimony trifluoride.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5291","5297","10.1039/c1dt10113g","","","0.71073","MoKα","","0.0836","0.0587","","","0.1037","0.1151","","","","","","1.171","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015816","8.1563","0.001","13.546","0.002","12.4707","0.0015","90","","97.531","0.01","90","","1365.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trifluorobis(trimethylarsine oxide)antimony(iii)","trifluorobis(trimethylarsine oxide)antimony(III)","","- C6 H18 As2 F3 O2 Sb -","- C6 H18 As2 F3 O2 Sb -","- C24 H72 As8 F12 O8 Sb4 -","4","1","","Levason, William; Light, Mark E.; Maheshwari, Seema; Reid, Gillian; Zhang, Wenjian","Unusual neutral ligand coordination to arsenic and antimony trifluoride.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5291","5297","10.1039/c1dt10113g","","","0.71073","MoKα","","0.0374","0.0291","","","0.0636","0.0681","","","","","","1.08","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015817","7.7004","0.001","8.1617","0.0015","9.7109","0.0015","76.455","0.002","78.429","0.002","65.015","0.002","534.22","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Trifluoro(methanediylbis(dimethylphosphane) dioxide)arsenic(iii)","Trifluoro(methanediylbis(dimethylphosphane) dioxide)arsenic(III)","","- C5 H14 As F3 O2 P2 -","- C5 H14 As F3 O2 P2 -","- C10 H28 As2 F6 O4 P4 -","2","1","","Levason, William; Light, Mark E.; Maheshwari, Seema; Reid, Gillian; Zhang, Wenjian","Unusual neutral ligand coordination to arsenic and antimony trifluoride.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5291","5297","10.1039/c1dt10113g","","","0.71073","MoKα","","0.0361","0.0282","","","0.054","0.0571","","","","","","1.093","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015818","10.0551","0.0003","32.8259","0.001","10.7878","0.0003","90","","116.542","0.001","90","","3185.43","0.16","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","Trifluorobis(triphenylarsine oxide-O)antimony(iii)","Trifluorobis(triphenylarsine oxide-O)antimony(III)","","- C36 H30 As2 F3 O2 Sb -","- C36 H30 As2 F3 O2 Sb -","- C144 H120 As8 F12 O8 Sb4 -","4","1","","Levason, William; Light, Mark E.; Maheshwari, Seema; Reid, Gillian; Zhang, Wenjian","Unusual neutral ligand coordination to arsenic and antimony trifluoride.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5291","5297","10.1039/c1dt10113g","","","0.71073","MoKα","","0.0451","0.041","","","0.1042","0.1082","","","","","","1.08","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015819","7.355","0.006","9.402","0.008","18.73","0.016","98.396","0.014","99.584","0.012","92.488","0.013","1260.4","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Mn N O6 S2 -","- C8 H6 Mn N O6 S2 -","- C32 H24 Mn4 N4 O24 S8 -","4","2","","Crook, Sian H.; Mann, Brian E.; Meijer, Anthony J. H. M.; Adams, Harry; Sawle, Philip; Scapens, David; Motterlini, Roberto","[Mn(CO)4{S2CNMe(CH2CO2H)}], a new water-soluble CO-releasing molecule.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4230","4235","10.1039/c1dt10125k","","","0.71073","MoKα","","0.0847","0.0681","","","0.1622","0.1743","","","","","","1.013","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015820","7.4933","0.0002","8.4063","0.0002","13.1279","0.0003","71.9381","0.0008","88.2968","0.0009","63.9387","0.0011","700.74","0.03","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis described","6","P -1","-P 1","2","","","","- C8 H14 Cl Ga N6 S2 -","- C8 H14 Cl Ga N6 S2 -","- C16 H28 Cl2 Ga2 N12 S4 -","2","1","","Arrowsmith, Rory L.; Waghorn, Philip A.; Jones, Michael W.; Bauman, Andreas; Brayshaw, Simon K.; Hu, Zhiyuan; Kociok-Köhn, Gabriele; Mindt, Thomas L.; Tyrrell, Rex M.; Botchway, Stanley W.; Dilworth, Jonathan R.; Pascu, Sofia I.","Fluorescent gallium and indium bis(thiosemicarbazonates) and their radiolabelled analogues: Synthesis, structures and cellular confocal fluorescence imaging investigations.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6238","6252","10.1039/c1dt10126a","","","0.71073","MoKα","","0.0294","0.0235","","0.0312","0.0279","0.0279","","","","","","1.0651","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015821","7.3928","0.0003","23.156","0.001","13.3698","0.0006","90","","103.968","0.003","90","","2221.07","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl Ga N6 O S3 -","- C18 H20 Cl Ga N6 O S3 -","- C72 H80 Cl4 Ga4 N24 O4 S12 -","4","1","","Arrowsmith, Rory L.; Waghorn, Philip A.; Jones, Michael W.; Bauman, Andreas; Brayshaw, Simon K.; Hu, Zhiyuan; Kociok-Köhn, Gabriele; Mindt, Thomas L.; Tyrrell, Rex M.; Botchway, Stanley W.; Dilworth, Jonathan R.; Pascu, Sofia I.","Fluorescent gallium and indium bis(thiosemicarbazonates) and their radiolabelled analogues: Synthesis, structures and cellular confocal fluorescence imaging investigations.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6238","6252","10.1039/c1dt10126a","","","0.71073","MoKα","","0.1208","0.0726","","","0.1364","0.1529","","","","","","1.091","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015822","13.5804","0.0002","13.9045","0.0002","14.2719","0.0003","85.0325","0.0008","78.5068","0.0009","78.8082","0.0007","2587.46","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Cl2 Ga2 N12 S4 -","- C40 H36 Cl2 Ga2 N12 S4 -","- C80 H72 Cl4 Ga4 N24 S8 -","2","1","","Arrowsmith, Rory L.; Waghorn, Philip A.; Jones, Michael W.; Bauman, Andreas; Brayshaw, Simon K.; Hu, Zhiyuan; Kociok-Köhn, Gabriele; Mindt, Thomas L.; Tyrrell, Rex M.; Botchway, Stanley W.; Dilworth, Jonathan R.; Pascu, Sofia I.","Fluorescent gallium and indium bis(thiosemicarbazonates) and their radiolabelled analogues: Synthesis, structures and cellular confocal fluorescence imaging investigations.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6238","6252","10.1039/c1dt10126a","","","0.71073","MoKα","","0.101","0.0748","","0.1093","0.0889","0.0889","","","","","","1.0999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015823","32.4924","0.0005","7.6104","0.0001","23.5627","0.0004","90","","116.725","0.001","90","","5204.16","0.14","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 Cl In N6 O S2 -","- C23 H24 Cl In N6 O S2 -","- C184 H192 Cl8 In8 N48 O8 S16 -","8","1","","Arrowsmith, Rory L.; Waghorn, Philip A.; Jones, Michael W.; Bauman, Andreas; Brayshaw, Simon K.; Hu, Zhiyuan; Kociok-Köhn, Gabriele; Mindt, Thomas L.; Tyrrell, Rex M.; Botchway, Stanley W.; Dilworth, Jonathan R.; Pascu, Sofia I.","Fluorescent gallium and indium bis(thiosemicarbazonates) and their radiolabelled analogues: Synthesis, structures and cellular confocal fluorescence imaging investigations.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6238","6252","10.1039/c1dt10126a","","","0.71073","MoKα","","0.0551","0.0348","","","0.0762","0.0846","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015824","13.7789","0.0006","28.9035","0.0017","17.8248","0.0011","90","","90","","90","","7098.9","0.7","150","2","150","2","","","","","","","","6","P n c a","-P 2a 2n","60","","","","- C16 H14 Cl In N6 S2 -","- C16 H14 Cl In N6 S2 -","- C256 H224 Cl16 In16 N96 S32 -","16","2","","Arrowsmith, Rory L.; Waghorn, Philip A.; Jones, Michael W.; Bauman, Andreas; Brayshaw, Simon K.; Hu, Zhiyuan; Kociok-Köhn, Gabriele; Mindt, Thomas L.; Tyrrell, Rex M.; Botchway, Stanley W.; Dilworth, Jonathan R.; Pascu, Sofia I.","Fluorescent gallium and indium bis(thiosemicarbazonates) and their radiolabelled analogues: Synthesis, structures and cellular confocal fluorescence imaging investigations.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6238","6252","10.1039/c1dt10126a","","","0.71073","MoKα","","0.1868","0.1062","","","0.1747","0.1982","","","","","","1.147","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015825","20.2104","0.0007","24.118","0.001","20.0246","0.0008","90","","118.446","0.002","90","","8582.2","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H41 Cl2 N3 O P2 Pd -","- C50 H38 Cl2 N3 O P2 Pd -","- C400 H304 Cl16 N24 O8 P16 Pd8 -","8","2","","Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.","Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4918","4925","10.1039/c1dt10131e","","","0.71073","MoKα","","0.0603","0.0353","","","0.072","0.0816","","","","","","1.011","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015826","12.26","0.004","20.121","0.006","35.895","0.011","90","","90","","90","","8855","5","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C42 H43 Cl6 N3 P2 Pd -","- C42 H43 Cl6 N3 P2 Pd -","- C336 H344 Cl48 N24 P16 Pd8 -","8","0.5","","Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.","Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4918","4925","10.1039/c1dt10131e","","","0.71073","MoKα","","0.0882","0.0647","","","0.1497","0.1644","","","","","","1.177","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015827","8.6503","0.0002","26.8756","0.0005","12.088","0.0003","90","","93.156","0.001","90","","2805.98","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 Cl2 N3 P2 Pd -","- C22 H51 Cl2 N3 P2 Pd -","- C88 H204 Cl8 N12 P8 Pd4 -","4","1","","Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.","Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4918","4925","10.1039/c1dt10131e","","","0.71073","MoKα","","0.0471","0.0368","","","0.0812","0.0862","","","","","","1.032","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015828","12.0407","0.0013","22.977","0.003","13.459","0.0014","90","","97.437","0.005","90","","3692.2","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 Br0.5 Cl1.5 N3 Ni P2 -","- C40 H39 Br0.5 Cl1.5 N3 Ni P2 -","- C160 H156 Br2 Cl6 N12 Ni4 P8 -","4","1","","Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.","Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4918","4925","10.1039/c1dt10131e","","","0.71073","MoKα","","0.0875","0.0436","","","0.0878","0.1016","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015829","8.6286","0.0006","32.013","0.002","10.8902","0.0008","90","","99.15","0.002","90","","2969.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 Cl2 N3 Ni P2 -","- C22 H51 Cl2 N3 Ni P2 -","- C88 H204 Cl8 N12 Ni4 P8 -","4","1","","Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.","Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4918","4925","10.1039/c1dt10131e","","","0.71073","MoKα","","0.0487","0.0408","","","0.0887","0.0922","","","","","","1.133","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015830","21.7288","0.0009","7.6413","0.0003","11.6265","0.0005","90","","90","","90","","1930.42","0.14","150","2","150","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C40 H38 Cl F6 N3 Ni P3 -","- C40 H38 Cl F6 N3 Ni P3 -","- C80 H76 Cl2 F12 N6 Ni2 P6 -","2","0.5","","Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.","Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4918","4925","10.1039/c1dt10131e","","","0.71073","MoKα","","0.0463","0.0393","","","0.1041","0.109","","","","","","1.042","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015831","10.0118","0.0007","13.1874","0.001","16.4704","0.0012","67.1","0.004","89.195","0.004","77.437","0.004","1949.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 Cl F6 N3 Ni P3 -","- C40 H39 Cl F6 N3 Ni P3 -","- C80 H78 Cl2 F12 N6 Ni2 P6 -","2","1","","Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.","Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4918","4925","10.1039/c1dt10131e","","","0.71073","MoKα","","0.1763","0.0732","","","0.1573","0.1994","","","","","","0.971","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015832","33.823","0.003","8.9261","0.0009","23.968","0.002","90","","133.969","0.004","90","","5207.9","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H50 Cl3 N3 Ni2 P2 -","- C60 H50 Cl3 N3 Ni2 P2 -","- C240 H200 Cl12 N12 Ni8 P8 -","4","0.5","","Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.","Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4918","4925","10.1039/c1dt10131e","","","0.71073","MoKα","","0.1676","0.067","","","0.1653","0.2239","","","","","","0.892","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015833","10.17","0.004","12.049","0.004","19.696","0.007","88.903","0.009","78.163","0.007","86.724","0.006","2358.3","1.5","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H44 B2 O -","- C24 H44 B2 O -","- C96 H176 B8 O4 -","4","2","","Barnes, Stephanie S.; Vogels, Christopher M.; Decken, Andreas; Westcott, Stephen A.","Addition of boranes to N-aryl-salicylaldimines: intramolecular hydrogenation of imines.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4707","4714","10.1039/c1dt10132c","","x-ray","0.71073","MoKα","","0.104","0.0548","","","0.1341","0.156","","","","","","0.976","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015834","22.194","0.004","7.8827","0.0013","32.456","0.006","90","","100.937","0.005","90","","5575","1.7","213","1","213","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 B N O2 -","- C32 H36 B N O2 -","- C256 H288 B8 N8 O16 -","8","1","","Barnes, Stephanie S.; Vogels, Christopher M.; Decken, Andreas; Westcott, Stephen A.","Addition of boranes to N-aryl-salicylaldimines: intramolecular hydrogenation of imines.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4707","4714","10.1039/c1dt10132c","","x-ray","0.71073","MoKα","","0.1245","0.0625","","","0.1511","0.1886","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015835","8.9551","0.0013","15.564","0.002","16.659","0.003","90","","90","","90","","2321.9","0.6","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 B N O -","- C27 H36 B N O -","- C108 H144 B4 N4 O4 -","4","1","","Barnes, Stephanie S.; Vogels, Christopher M.; Decken, Andreas; Westcott, Stephen A.","Addition of boranes to N-aryl-salicylaldimines: intramolecular hydrogenation of imines.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4707","4714","10.1039/c1dt10132c","","x-ray","0.71073","MoKα","","0.0382","0.0322","","","0.0796","0.0872","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015836","16.124","0.006","7.653","0.003","14.192","0.005","90","","98.931","0.005","90","","1730","1.1","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 B N O3 -","- C21 H18 B N O3 -","- C84 H72 B4 N4 O12 -","4","1","","Barnes, Stephanie S.; Vogels, Christopher M.; Decken, Andreas; Westcott, Stephen A.","Addition of boranes to N-aryl-salicylaldimines: intramolecular hydrogenation of imines.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4707","4714","10.1039/c1dt10132c","","x-ray","0.71073","MoKα","","0.0648","0.038","","","0.0862","0.1045","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015837","29.171","0.004","29.171","0.004","33.538","0.007","90","","90","","120","","24716","7","150","2","150","2","","","","","","","","10","R -3 :H","-R 3","148","","","","- C6 H76 Dy3 Fe3 K4.5 N6 Na7.5 O137 Si3 W30 -","- C6 H24 Dy3 Fe3 K4.5 N6 Na4 O136.5 Si3 W30 -","- C36 H144 Dy18 Fe18 K27 N36 Na24 O819 Si18 W180 -","6","0.333333","","Zhang, Zhi-Ming; Li, Yang-Guang; Yao, Shuang; Wang, En-Bo","Hexameric polyoxometalates decorated by six 3d-4f heterometallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6475","6479","10.1039/c1dt10133a","","","0.71073","MoKα","","0.1152","0.0644","","","0.129","0.1464","","","","","","1.045","","","","has coordinates,has disorder","290444","2024-03-12","09:55:29",""
"7015838","20.788","0.011","35.596","0.017","38.39","0.02","90","","92.015","0.009","90","","28390","3","296","2","296","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C3 H67 Fe3 K6.5 N3 Na8.5 O140 Si3 Tb3 W30 -","- C3 H12 Fe3 K6.5 N3 Na7 O140 Si3 Tb3 W30 -","- C24 H96 Fe24 K52 N24 Na56 O1120 Si24 Tb24 W240 -","8","1","","Zhang, Zhi-Ming; Li, Yang-Guang; Yao, Shuang; Wang, En-Bo","Hexameric polyoxometalates decorated by six 3d-4f heterometallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6475","6479","10.1039/c1dt10133a","","","0.71073","MoKα","","0.0743","0.0474","","","0.1213","0.1435","","","","","","1.042","","","","has coordinates,has disorder","290444","2024-03-12","09:55:29",""
"7015839","14.842","0.003","8.6829","0.0015","16.272","0.003","90","","93.973","0.003","90","","2092","0.7","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H53.5 Cu N10 Na O30 P2 -","- C21 H53.635 Cu N10 Na O30 P2 -","- C42 H107.27 Cu2 N20 Na2 O60 P4 -","2","1","","Zhou, Pei; Li, Hui","Chirality delivery from a chiral copper(II) nucleotide complex molecule to its supramolecular architecture.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4834","4837","10.1039/c1dt10136f","","","0.71073","MoKα","","0.0578","0.0466","","","0.1159","0.1228","","","","","","0.995","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015840","11.9","0.002","15.167","0.003","21.059","0.004","100.61","0.03","90.83","0.03","102.67","0.03","3639","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H42.5 Dy Mo12 N4.5 O53 P -","- C33 H37.3 Dy Mo12 N4.5 O53 P -","- C66 H74.6 Dy2 Mo24 N9 O106 P2 -","2","1","","Hao, Xiu-Li; Luo, Ming-Fa; Yao, Wei; Li, Yang-Guang; Wang, Yong-Hui; Wang, En-Bo","Polyoxometalate-templated lanthanide-organic hybrid layers based on 6(3)-honeycomb-like 2D nets.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5971","5976","10.1039/c1dt10139k","","","0.71073","MoKα","","0.0979","0.0595","","","0.1439","0.1662","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015841","11.921","0.002","15.142","0.003","21.053","0.004","100.51","0.03","90.91","0.03","102.78","0.03","3637.6","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H42.5 Mo12 N4.5 O53 P Tb -","- C33 H28.5 Mo12 N4.5 O53 P Tb -","- C66 H57 Mo24 N9 O106 P2 Tb2 -","2","1","","Hao, Xiu-Li; Luo, Ming-Fa; Yao, Wei; Li, Yang-Guang; Wang, Yong-Hui; Wang, En-Bo","Polyoxometalate-templated lanthanide-organic hybrid layers based on 6(3)-honeycomb-like 2D nets.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5971","5976","10.1039/c1dt10139k","","","0.71073","MoKα","","0.1546","0.0718","","","0.1439","0.1829","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015842","11.921","0.002","15.166","0.003","21.02","0.004","100.49","0.03","90.79","0.03","102.89","0.03","3636.7","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H42.5 Er Mo12 N4.5 O53 P -","- C33 H34 Er Mo12 N4.5 O52.5 P -","- C66 H68 Er2 Mo24 N9 O105 P2 -","2","1","","Hao, Xiu-Li; Luo, Ming-Fa; Yao, Wei; Li, Yang-Guang; Wang, Yong-Hui; Wang, En-Bo","Polyoxometalate-templated lanthanide-organic hybrid layers based on 6(3)-honeycomb-like 2D nets.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5971","5976","10.1039/c1dt10139k","","","0.71073","MoKα","","0.1175","0.0674","","","0.1642","0.1895","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015843","8.438","0.008","10.847","0.011","11.262","0.011","86.424","0.012","73.054","0.011","87.787","0.012","983.9","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Cl2 Cu2 N8 O14 -","- C32 H42 Cl2 Cu2 N8 O14 -","- C32 H42 Cl2 Cu2 N8 O14 -","1","0.5","","Jiang, Jie; Jiang, Huie; Tang, Xiaoliang; Yang, Lizi; Dou, Wei; Liu, Weisheng; Fang, Ran; Liu, Wei","An efficient sensor for Zn(2+) and Cu(2+) based on different binding modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6367","6370","10.1039/c1dt10144g","","","0.71073","MoKα","","0.0748","0.0599","","","0.1722","0.1864","","","","","","1.023","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015844","8.1803","0.0011","8.706","0.0011","9.7467","0.0013","67.882","0.001","79.756","0.001","65.593","0.001","585.38","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N6 O2 -","- C26 H26 N6 O2 -","- C26 H26 N6 O2 -","1","0.5","","Jiang, Jie; Jiang, Huie; Tang, Xiaoliang; Yang, Lizi; Dou, Wei; Liu, Weisheng; Fang, Ran; Liu, Wei","An efficient sensor for Zn(2+) and Cu(2+) based on different binding modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6367","6370","10.1039/c1dt10144g","","","0.71073","MoKα","","0.0434","0.0365","","","0.0923","0.0979","","","","","","1.029","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015845","26.3789","0.0003","14.0453","0.00013","25.8211","0.0003","90","","117.788","0.0014","90","","8463.43","0.19","100","","100","","","","","","","","Guillaume Rigaux","6","P 1 21/c 1","-P 2ybc","14","","","","- C73.4 H98.1 Gd2 Mn6 N6.7 O27 -","- C73.4 H98.1 Gd2 Mn6 N6.7 O27 -","- C293.6 H392.4 Gd8 Mn24 N26.8 O108 -","4","1","","Rigaux, Guillaume; Inglis, Ross; Morrison, Susan; Prescimone, Alessandro; Cadiou, Cyril; Evangelisti, Marco; Brechin, Euan K.","Enhancing U(eff) in oxime-bridged [Mn(III)6Ln(III)2] hexagonal prisms.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4797","4799","10.1039/c1dt10154d","","","1.5418","CuKα","","0.0752","0.0508","","0.0774","0.0705","0.0774","","","","","","1.1801","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015846","15.3154","0.0006","22.8884","0.0006","25.7786","0.0008","90","","90","","90","","9036.6","0.5","100","2","100","2","","","","","","","Ross Inglis","6","C 2 2 21","C 2c 2","20","","","","- C78 H105 La2 Mn6 N6 O27 -","- C78 H105 La2 Mn6 N6 O27 -","- C312 H420 La8 Mn24 N24 O108 -","4","0.5","","Rigaux, Guillaume; Inglis, Ross; Morrison, Susan; Prescimone, Alessandro; Cadiou, Cyril; Evangelisti, Marco; Brechin, Euan K.","Enhancing U(eff) in oxime-bridged [Mn(III)6Ln(III)2] hexagonal prisms.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4797","4799","10.1039/c1dt10154d","","","0.71073","MoKα","","0.0241","0.0223","","","0.0567","0.0578","","","","","","1.068","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015847","12.7152","0.0003","25.61","0.0009","23.8804","0.0007","90","","92.941","0.003","90","","7766.1","0.4","100","","100","","","","","","","","Ross Inglis","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H87 Mn6 N6 O27.5 Tb2 -","- C67 H87 Mn6 N6 O27.5 Tb2 -","- C268 H348 Mn24 N24 O110 Tb8 -","4","1","","Rigaux, Guillaume; Inglis, Ross; Morrison, Susan; Prescimone, Alessandro; Cadiou, Cyril; Evangelisti, Marco; Brechin, Euan K.","Enhancing U(eff) in oxime-bridged [Mn(III)6Ln(III)2] hexagonal prisms.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4797","4799","10.1039/c1dt10154d","","","1.5418","CuKα","","0.0691","0.0576","","0.0637","0.0626","0.0637","","","","","","1.0007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015848","10.2009","0.0014","11.321","0.0015","14.245","0.002","95.345","0.008","105.473","0.008","93.856","0.008","1571.3","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H25 Cl3 I2 N2 O4 Pt -","- C26 H25 Cl3 I2 N2 O4 Pt -","- C52 H50 Cl6 I4 N4 O8 Pt2 -","2","1","","La Deda, Massimo; Crispini, Alessandra; Aiello, Iolinda; Ghedini, Mauro; Amati, Mario; Belviso, Sandra; Lelj, Francesco","Cyclometalated Pt(iv) trans-diiodo adducts: experimental and computational studies within an homologous series of compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5259","5270","10.1039/c1dt10160a","","","0.71073","MoKα","","0.1414","0.0617","","","0.1662","0.2003","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015849","8.035","0.003","12.024","0.004","23.036","0.007","87.162","0.003","82.962","0.003","79.823","0.003","2173.2","1.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","(POCOP)Rh(H)Cl","","","- C18 H32 Cl O2 P2 Rh -","- C18 H32 Cl O2 P2 Rh -","- C72 H128 Cl4 O8 P8 Rh4 -","4","2","","Timpa, Samuel D.; Fafard, Claudia M.; Herbert, David E.; Ozerov, Oleg V.","Catalysis of Kumada-Tamao-Corriu coupling by a (P(O)C(O)P)Rh pincer complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5426","5429","10.1039/c1dt10161g","","","0.71073","MoKα","","0.0274","0.0247","","","0.0584","0.0599","","","","","","1.033","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015850","15.865","0.002","10.113","0.013","23.16","0.02","90","","131.95","0.05","90","","2764","5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(POCOP)Rh(Ph)I","","","- C24 H36 I O2 P2 Rh -","- C24 H36 I O2 P2 Rh -","- C96 H144 I4 O8 P8 Rh4 -","4","1","","Timpa, Samuel D.; Fafard, Claudia M.; Herbert, David E.; Ozerov, Oleg V.","Catalysis of Kumada-Tamao-Corriu coupling by a (P(O)C(O)P)Rh pincer complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5426","5429","10.1039/c1dt10161g","","","0.71073","MoKα","","0.0924","0.0777","","","0.188","0.1954","","","","","","1.135","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015851","8.256","0.0017","11.907","0.002","14.242","0.003","104.15","0.03","98.52","0.03","97.03","0.03","1324.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cu N8 O4 -","- C24 H28 Cu N8 O4 -","- C48 H56 Cu2 N16 O8 -","2","1","","Ma, Ling; Lu, Liping; Zhu, Miaoli; Wang, Qingming; Li, Ying; Xing, Shu; Fu, Xueqi; Gao, Zengqiang; Dong, Yuhui","Mononuclear copper(ii) complexes with 3,5-substituted-4-salicylidene-amino-3,5-dimethyl-1,2,4-triazole: synthesis, structure and potent inhibition of protein tyrosine phosphatases.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6532","6540","10.1039/c1dt10169b","","","0.8","synchrotron","","0.082","0.0807","","","0.2043","0.2087","","","","","","1.046","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015852","7.7403","0.0006","8.7315","0.0007","15.534","0.002","102.878","0.002","100.102","0.002","101.399","0.001","976.45","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl2 Cu N8 O8 -","- C28 H44 Cl2 Cu N8 O8 -","- C28 H44 Cl2 Cu N8 O8 -","1","0.5","","Ma, Ling; Lu, Liping; Zhu, Miaoli; Wang, Qingming; Li, Ying; Xing, Shu; Fu, Xueqi; Gao, Zengqiang; Dong, Yuhui","Mononuclear copper(ii) complexes with 3,5-substituted-4-salicylidene-amino-3,5-dimethyl-1,2,4-triazole: synthesis, structure and potent inhibition of protein tyrosine phosphatases.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6532","6540","10.1039/c1dt10169b","","","0.71073","MoKα","","0.0883","0.0599","","","0.1616","0.1795","","","","","","1.004","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015853","9.732","0.0006","11.9168","0.0007","12.3731","0.0007","67.596","0.005","88.605","0.005","75.836","0.005","1282.51","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[CrCl2(bpy)2]2[Cr2Cl8(MeCN)2]","","","- C44 H38 Cl12 Cr4 N10 -","- C44 H38 Cl12 Cr4 N10 -","- C44 H38 Cl12 Cr4 N10 -","1","0.5","","Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L.","Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5278","5284","10.1039/c1dt10172b","","","0.71073","MoKα","","0.046","0.0367","","","0.0986","0.1015","","","","","","1.009","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015854","11.841","0.002","12.681","0.003","19.725","0.004","83.13","0.03","77.85","0.03","64.92","0.03","2620.9","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cr4(tmp)2(bpy)3Cl6],2.5(MeCN)","","","- C47 H53.5 Cl6 Cr4 N8.5 O6 -","- C47 H53.5 Cl6 Cr4 N8.5 O6 -","- C94 H107 Cl12 Cr8 N17 O12 -","2","1","","Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L.","Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5278","5284","10.1039/c1dt10172b","","","0.71073","MoKα","","0.0724","0.052","","","0.1101","0.1178","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015855","11.9229","0.0007","12.5995","0.0006","19.7854","0.001","82.643","0.004","77.861","0.005","64.945","0.005","2629.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cr4(Hpeol)2(bpy)3Cl6]","","","- C43.66 H48.5 Cl6 Cr4 N7.83 O8.5 -","- C43.66 H47.49 Cl6 Cr4 N7.83 O8.5 -","- C87.32 H94.98 Cl12 Cr8 N15.66 O17 -","2","1","","Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L.","Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5278","5284","10.1039/c1dt10172b","","","0.7107","MoKα","","0.0947","0.048","","","0.1041","0.1149","","","","","","0.896","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015856","13.9679","0.0009","19.2804","0.0012","19.5271","0.0017","60.485","0.001","74.53","0.001","74.95","0.001","4358.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cr4(tmp)2(t-bu-bpy)3Cl6],4MeCN,0.5Me2CO,0.5H2O","","","- C75.5 H110 Cl6 Cr4 N10 O7 -","- C75.5 H109 Cl6 Cr4 N10 O7 -","- C151 H218 Cl12 Cr8 N20 O14 -","2","1","","Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L.","Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5278","5284","10.1039/c1dt10172b","","","0.71073","MoKα","","0.0583","0.0495","","","0.143","0.1496","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015857","10.2643","0.0009","10.27","0.0013","10.6796","0.001","62.341","0.011","84.353","0.007","71.591","0.009","944.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cr4(tmp)2Cl6(Et-iac)2].2MeCN","","","- C24 H46 Cl6 Cr4 N8 O6 -","- C24 H46 Cl6 Cr4 N8 O6 -","- C24 H46 Cl6 Cr4 N8 O6 -","1","0.5","","Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L.","Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5278","5284","10.1039/c1dt10172b","","","0.71073","MoKα","","0.0941","0.0498","","","0.1056","0.1151","","","","","","0.855","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015858","10.134","0.002","16.53","0.003","13.389","0.003","90","","95.16","0.03","90","","2233.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cr4(tmp)2Cl6(Pr-iac)2].2EtCN","","","- C30 H58 Cl6 Cr4 N8 O6 -","- C30 H58 Cl6 Cr4 N8 O6 -","- C60 H116 Cl12 Cr8 N16 O12 -","2","0.5","","Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L.","Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5278","5284","10.1039/c1dt10172b","","","0.71073","MoKα","","0.0687","0.0391","","","0.0725","0.0776","","","","","","0.843","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015859","23.3367","0.0011","23.3367","0.0011","23.501","0.003","90","","90","","120","","11084","1.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","(Cr4(tmp)2Cl6(Bz-iac)2).0.67(MeCN)","","","- C41.33 H50 Cl6 Cr4 N6.67 O6 -","- C41.32 H49.98 Cl6 Cr4 N6.66 O6 -","- C371.88 H449.82 Cl54 Cr36 N59.94 O54 -","9","0.5","","Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L.","Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5278","5284","10.1039/c1dt10172b","","","0.71073","MoKα","","0.1024","0.0669","","","0.1811","0.1995","","","","","","1.052","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015860","12.7916","0.0004","17.622","0.0005","15.4171","0.0004","90","","114.007","0.002","90","","3174.6","0.16","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H15 Cl3 N5 O P3 -","- C7 H15 Cl3 N5 O P3 -","- C56 H120 Cl24 N40 O8 P24 -","8","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.0682","0.0484","","","0.131","0.1452","","","","","","1.036","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015861","9.2456","0.0006","11.8383","0.0007","15.3172","0.0014","78.702","0.006","76.806","0.007","67.964","0.007","1501.7","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H15 Cl3 N5 O P3 -","- C7 H15 Cl3 N5 O P3 -","- C28 H60 Cl12 N20 O4 P12 -","4","2","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.0512","0.0363","","","0.0836","0.0907","","","","","","1.038","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015862","12.6777","0.0004","6.7209","0.0002","16.6315","0.0005","90","","95.214","0.002","90","","1411.23","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 Cl3 N5 O P3 -","- C5 H13 Cl3 N5 O P3 -","- C20 H52 Cl12 N20 O4 P12 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.0661","0.0535","","","0.1316","0.1402","","","","","","1.065","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015863","9.6827","0.0001","22.3776","0.0002","16.0124","0.0002","90","","91.846","0.001","90","","3467.7","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H15 Cl3 N5 O P3 -","- C10 H15 Cl3 N5 O P3 -","- C80 H120 Cl24 N40 O8 P24 -","8","4","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.0345","0.0316","","","0.0696","0.0714","","","","","","1.034","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015864","16.7876","0.0004","8.9221","0.0001","8.7848","0.0002","90","","90","","90","","1315.79","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 Cl3 N4 O2 P3 -","- C4 H10 Cl3 N4 O2 P3 -","- C16 H40 Cl12 N16 O8 P12 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.064","0.0598","","","0.1571","0.1614","","","","","","1.045","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015865","11.6597","0.0017","8.0541","0.001","35.094","0.005","90","","90","","90","","3295.6","0.8","296","0.2","296","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Cl3 N4 O2 P3 -","- C9 H12 Cl3 N4 O2 P3 -","- C72 H96 Cl24 N32 O16 P24 -","8","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.067","0.0371","","","0.0821","0.0918","","","","","","1.036","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015866","6.5976","0.0001","9.4568","0.0002","26.882","0.0007","90","","90","","90","","1677.23","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Cl3 N6 P3 -","- C8 H18 Cl3 N6 P3 -","- C32 H72 Cl12 N24 P12 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.0415","0.0313","","","0.0619","0.0649","","","","","","1.052","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015867","9.4372","0.0017","10.2806","0.0019","16.58","0.003","91.398","0.004","97.951","0.004","100.572","0.004","1564","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 Cl2 Cu N5 O9 S -","- C29 H29 Cl2 Cu N5 O9 S -","- C58 H58 Cl4 Cu2 N10 O18 S2 -","2","1","","Ahamed, B. Nisar; Ghosh, Pradyut","Selective colorimetric and fluorometric sensing of Cu(ii) by iminocoumarin derivative in aqueous buffer.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6411","6419","10.1039/c1dt10177c","","","0.71073","MoKα","","0.0571","0.0418","","","0.1088","0.1176","","","","","","1.037","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015868","8.54","0.002","12.871","0.003","23.664","0.006","90","","106.426","0.009","90","","2494.9","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O2 S -","- C28 H30 N4 O2 S -","- C112 H120 N16 O8 S4 -","4","1","","Ahamed, B. Nisar; Ghosh, Pradyut","Selective colorimetric and fluorometric sensing of Cu(ii) by iminocoumarin derivative in aqueous buffer.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6411","6419","10.1039/c1dt10177c","","","0.71073","MoKα","","0.1017","0.0754","","","0.2087","0.2355","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015869","13.9419","0.0003","10.2272","0.0002","24.4742","0.0005","90","","103.448","0.001","90","","3394.01","0.12","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C152 H129 N19 O20 Sn2 -","- C152 H125 N19 O20 Sn2 -","- C152 H125 N19 O20 Sn2 -","1","0.5","","Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","An oscillating molecular turnstile.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5244","5248","10.1039/c1dt10184f","","","0.71073","MoKα","","0.0695","0.0526","","","0.1248","0.1379","","","","","","1.01","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015870","11.8548","0.0001","11.8548","0.0001","11.8548","0.0001","90","","90","","90","","1666.03","0.02","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Cl2 Cu N4 -","- C12 H30 Cl2 Cu N4 -","- C48 H120 Cl8 Cu4 N16 -","4","0.333333","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.0221","0.0208","","","0.0553","0.0557","","","","","","1.155","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015871","12.0512","0.0003","12.0512","0.0003","12.0512","0.0003","90","","90","","90","","1750.21","0.08","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Br2 Cu N4 -","- C12 H30 Br2 Cu N4 -","- C48 H120 Br8 Cu4 N16 -","4","0.333333","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.0227","0.0185","","","0.0433","0.0443","","","","","","1.073","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015872","17.8968","0.0002","17.9299","0.0002","18.4322","0.0002","99.717","0.001","109.955","0.001","113.806","0.001","4752.44","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H65 B Cu N4 P -","- C54 H65 B Cu N4 P -","- C216 H260 B4 Cu4 N16 P4 -","4","2","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.0645","0.0394","","","0.1141","0.1378","","","","","","0.898","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015873","7.3804","0.0002","8.8401","0.0002","9.3662","0.0002","88.614","0.001","77.95","0.001","71.886","0.001","567.46","0.02","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","cis-1-chloro-4-(trichloromethyl)cyclooctane","","- C9 H14 Cl4 -","- C9 H14 Cl4 -","- C18 H28 Cl8 -","2","1","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.0468","0.0448","","","0.1097","0.1125","","","","","","0.777","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015874","7.5398","0.0005","8.8709","0.0006","9.3096","0.0007","89.529","0.001","78.355","0.001","71.407","0.001","576.97","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1S-Bromo-4S-(trichloromethyl)cyclooctane","","- C9 H14 Br Cl3 -","- C9 H14 Br Cl3 -","- C18 H28 Br2 Cl6 -","2","1","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.048","0.0376","","","0.1186","0.1282","","","","","","0.835","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015875","7.624","0.006","8.962","0.007","9.546","0.008","88.646","0.012","78.322","0.011","72.257","0.01","607.9","0.8","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1R-bromo-4R-(tribromomethyl)cyclooctane","","- C9 H14 Br4 -","- C9 H14 Br4 -","- C18 H28 Br8 -","2","1","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.0525","0.0403","","","0.1101","0.1187","","","","","","0.827","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015876","7.3269","0.0001","9.2822","0.0001","9.4153","0.0002","100.61","0.001","92.644","0.001","98.734","0.001","620.275","0.017","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1S-bromo-4R-(tribromomethyl)cyclooctane","","- C9 H14 Br4 -","- C9 H14 Br4 -","- C18 H28 Br8 -","2","1","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.0304","0.0214","","","0.0746","0.0843","","","","","","0.654","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015877","11.5195","0.0006","6.2653","0.0003","19.3532","0.0009","90","","90","","90","","1396.78","0.12","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(2-(dimethylammonio)ethyl)-1,1-dimethylpiperazinium chloride","","- C10 H25 Cl2 N3 -","- C10 H25 Cl2 N3 -","- C40 H100 Cl8 N12 -","4","1","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.053","0.0459","","","0.124","0.1311","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015878","8.4798","0.0003","17.8233","0.0005","12.3106","0.0004","90","","98.149","0.001","90","","1841.81","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AF-5-62","","","- C10 H26 Au N O4 S4 -","- C10 H26 Au N O4 S4 -","- C40 H104 Au4 N4 O16 S16 -","4","1","","Fischmann, Adam J.; Spiccia, Leone","The first homoleptic gold(I) thiosulfonate complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4803","4805","10.1039/c1dt10206k","","","0.71073","MoKα","","0.0317","0.0269","","","0.0626","0.0638","","","","","","1.239","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015879","10.364","0.002","17.629","0.004","15.399","0.003","90","","107.9","0.03","90","","2677.3","1.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diiodo-bis(N,N'-bis(2,6-diisopropylphenyl)ethylamidinato)-di- gallium(ii)","diiodo-bis(N,N'-bis(2,6-diisopropylphenyl)ethylamidinato)-di-gallium(II)","","- C26 H37 Ga I N2 -","- C26 H37 Ga I N2 -","- C104 H148 Ga4 I4 N8 -","4","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.0466","0.0295","","","0.0621","0.065","","","","","","0.88","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015880","10.847","0.002","12.842","0.003","22.349","0.005","96.71","0.03","91.8","0.03","101.27","0.03","3027.5","1.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","diiodo-bis(N,N'-bis(2,6-diisopropylphenyl)ethylamidinato) -di- gallium(ii) tetrahydrofurane solvate","diiodo-bis(N,N'-bis(2,6-diisopropylphenyl)ethylamidinato) -di-gallium(II) tetrahydrofurane solvate","","- C60 H90 Ga2 I2 N4 O2 -","- C60 H90 Ga2 I2 N4 O2 -","- C120 H180 Ga4 I4 N8 O4 -","2","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.1546","0.0455","","","0.0737","0.0912","","","","","","0.648","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015881","12.293","0.003","13.507","0.003","18.197","0.004","81.06","0.03","77.42","0.03","69.29","0.03","2748.2","1.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","bis-(N,N'-dicyclohexylneopentylamidinato-iodo-gallium(ii)) - N,N'-dicyclohexylneopentylamidinato-gallium(i)","bis-(N,N'-dicyclohexylneopentylamidinato-iodo-gallium(II)) -N,N'-dicyclohexylneopentylamidinato-gallium(I)","","- C51 H93 Ga3 I2 N6 -","- C51 H93 Ga3 I2 N6 -","- C102 H186 Ga6 I4 N12 -","2","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.1079","0.0362","","","0.0672","0.0765","","","","","","0.656","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015882","12.831","0.003","13.914","0.003","20.005","0.004","83.48","0.03","83.11","0.03","64.33","0.03","3188.2","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","bis-(N,N'-dicyclohexylneopentylamidinato-iodo-gallium(ii))- N,N' -dicyclohexylneopentylamidinato-gallium(i) n-hexane solvate","bis-(N,N'-dicyclohexylneopentylamidinato-iodo-gallium(II))-N,N' -dicyclohexylneopentylamidinato-gallium(I) n-hexane solvate","","- C57 H107 Ga3 I2 N6 -","- C57 H107 Ga3 I2 N6 -","- C114 H214 Ga6 I4 N12 -","2","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.1554","0.0558","","","0.1193","0.1416","","","","","","0.756","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015883","12.912","0.003","16.09","0.003","16.506","0.003","78.66","0.03","85.66","0.03","71.01","0.03","3179","1.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","bis-(N,N'-dicyclohexylneopentylamidinato-iodo-gallium(ii)) - N,N'-dicyclohexylneopentylamidinato-gallium(i) toluene solvate","bis-(N,N'-dicyclohexylneopentylamidinato-iodo-gallium(II)) -N,N'-dicyclohexylneopentylamidinato-gallium(I) toluene solvate","","- C58 H101 Ga3 I2 N6 -","- C58 H101 Ga3 I2 N6 -","- C116 H202 Ga6 I4 N12 -","2","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.1697","0.0545","","","0.1113","0.1406","","","","","","0.718","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015884","13.486","0.003","22.613","0.005","21.158","0.004","90","","90.95","0.03","90","","6451","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis-(N,N'-dicyclohexylneopentylamidinato-iodo-gallium(ii))- N,N' -dicyclohexylneopentylamidinato-gallium(i) tetrahydrofurane solvate","bis-(N,N'-dicyclohexylneopentylamidinato-iodo-gallium(II))-N,N' -dicyclohexylneopentylamidinato-gallium(I) tetrahydrofurane solvate","","- C59 H109 Ga3 I2 N6 O2 -","- C59 H109 Ga3 I2 N6 O2 -","- C236 H436 Ga12 I8 N24 O8 -","4","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.1445","0.0763","","","0.1728","0.1997","","","","","","0.945","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015885","13.184","0.003","30.314","0.006","17.95","0.004","90","","95.17","0.03","90","","7145","3","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","N,N'-dicyclohexylneopentylamidinato-isopropylimino- gallium(ii)-N,N' -dicyclohexylneopentylamidinato-iodo-gallium(ii)-N,N' - dicyclohexylneopentylamidinato-gallium(i)","N,N'-dicyclohexylneopentylamidinato-isopropylimino-gallium(II)-N,N' -dicyclohexylneopentylamidinato-iodo-gallium(II)-N,N' -dicyclohexylneopentylamidinato-gallium(I)","","- C66 H123 Ga3 I N7 O3 -","- C66 H123 Ga3 I N7 O3 -","- C264 H492 Ga12 I4 N28 O12 -","4","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.144","0.0676","","","0.1358","0.164","","","","","","0.769","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015886","12.634","0.003","20.821","0.004","21.296","0.004","90","","90.57","0.03","90","","5602","2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-dicyclohexylneopentylamidinato-ethyl-gallium(ii)-N,N' - dicyclohexylneopentylamidinato-hydrido-gallium(ii)-N,N' - dicyclohexylneopentylamidinato-gallium(i)","N,N'-dicyclohexylneopentylamidinato-ethyl-gallium(II)-N,N' -dicyclohexylneopentylamidinato-hydrido-gallium(II)-N,N' -dicyclohexylneopentylamidinato-gallium(I)","","- C53 H99 Ga3 N6 -","- C53 H99 Ga3 N6 -","- C212 H396 Ga12 N24 -","4","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.1995","0.0611","","","0.1179","0.1617","","","","","","0.78","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015887","27.952","0.006","10.316","0.002","17.64","0.004","90","","123.05","0.03","90","","4264","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","diiodo-(N,N'-dicyclohexylneopentylamidinato)-gallium(iii)","diiodo-(N,N'-dicyclohexylneopentylamidinato)-gallium(III)","","- C17 H31 Ga I2 N2 -","- C17 H31 Ga I2 N2 -","- C136 H248 Ga8 I16 N16 -","8","1","","Linti, Gerald; Zessin, Thomas","Synthesis, structure and reactions of an amidinate stabilised trigallane.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5591","5598","10.1039/c1dt10209e","","x-ray","0.71073","MoKα","","0.0668","0.0432","","","0.1044","0.1122","","","","","","0.937","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015888","14.654","0.004","16.423","0.008","17.538","0.008","117.584","0.011","97.032","0.017","105.311","0.018","3457","3","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N18 Pt2 S4 -","- C44 H46 N18 Pt2 S4 -","- C88 H92 N36 Pt4 S8 -","2","1","","Matesanz, Ana I.; Hernández, Carolina; Rodríguez, Ana; Souza, Pilar","Novel bis(thiosemicarbazones) of the 3,5-diacetyl-1,2,4-triazol series and their platinum(ii) complexes: chemistry, antiproliferative activity and preliminary nephrotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5738","5745","10.1039/c1dt10212e","","","0.71073","MoKα","","0.0775","0.0518","","","0.1398","0.1508","","","","","","0.968","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015889","22.955","0.005","47.028","0.009","20.745","0.004","90","","90","","90","","22395","8","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C85 H121 In6 N24 O40.5 -","- C85 H111 In6 N24 O40.5 -","- C680 H888 In48 N192 O324 -","8","1","","Oh, Minhak; Liu, Xinfang; Park, Mira; Kim, Dongwook; Moon, Dohyun; Lah, Myoung Soo","Entropically driven self-assembly of a strained hexanuclear indium metal-organic macrocycle and its behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5720","5727","10.1039/c1dt10220f","","","0.7","synchrotron","","0.0841","0.0554","","","0.1297","0.1425","","","","","","0.957","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015890","29.234","0.004","29.234","0.004","39.139","0.008","90","","90","","90","","33449","9","100","2","100","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C117 H153 In9 N36 O54 -","- C117 H135 In9 N27 O27 -","- C936 H1080 In72 N216 O216 -","8","1","","Oh, Minhak; Liu, Xinfang; Park, Mira; Kim, Dongwook; Moon, Dohyun; Lah, Myoung Soo","Entropically driven self-assembly of a strained hexanuclear indium metal-organic macrocycle and its behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5720","5727","10.1039/c1dt10220f","","","0.75","synchrotron","","0.1263","0.0984","","","0.2833","0.303","","","","","","1.03","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7015891","26.1124","0.0003","28.8852","0.0004","29.5107","0.0005","90","","90","","90","","22258.8","0.6","100","2","100","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H44 Cl Cu2 I9 N8 O2 -","- C40 H44 Cl Cu2 I9 N8 O2 -","- C640 H704 Cl16 Cu32 I144 N128 O32 -","16","0.5","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.0521","0.0252","","","0.0561","0.0648","","","","","","0.897","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015892","10.0425","0.0001","9.5986","0.0001","38.728","0.0003","90","","93.249","0.001","90","","3727.14","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cu4 I10 N12 -","- C60 H60 Cu4 I10 N12 -","- C120 H120 Cu8 I20 N24 -","2","0.5","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.0446","0.0272","","","0.0532","0.0559","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015893","15.2447","0.0003","12.1409","0.0002","16.4111","0.0003","90","","90","","90","","3037.44","0.1","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C30 H30 Cu I2 N6 -","- C30 H32 Cu I2 N6 -","- C120 H128 Cu4 I8 N24 -","4","0.25","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.051","0.0398","","","0.1426","0.1447","","","","","","1.319","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7015894","11.8569","0.0007","14.6496","0.0006","16.7531","0.0011","90","","90","","90","","2910","0.3","200","2","200","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C30 H30 Br2 Cu N6 -","- C30 H30 Br2 Cu N6 -","- C120 H120 Br8 Cu4 N24 -","4","0.25","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.0765","0.0258","","","0.0508","0.0555","","","","","","0.825","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015895","11.9263","0.0006","14.989","0.0007","16.5703","0.0009","90","","90","","90","","2962.2","0.3","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C30 H30 Br Cu I N6 -","- C30 H30 Br Cu I N6 -","- C120 H120 Br4 Cu4 I4 N24 -","4","0.25","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.1134","0.0554","","","0.1011","0.1077","","","","","","1.216","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015896","12.6527","0.0006","15.3938","0.0005","16.3832","0.0007","90","","90","","90","","3191","0.2","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C31 H30 Cu I N7 S -","- C31 H30 Cu I N7 S -","- C124 H120 Cu4 I4 N28 S4 -","4","0.25","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.0966","0.082","","","0.1681","0.1723","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015897","8.5744","0.0003","10.5755","0.0003","16.3685","0.0008","90","","92.272","0.005","90","","1483.11","0.1","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H20 Cu I6 N4 -","- C20 H20 Cu I6 N4 -","- C40 H40 Cu2 I12 N8 -","2","0.5","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.057","0.0271","","","0.0414","0.0454","","","","","","0.87","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015898","28.778","0.003","5.6989","0.0004","23.2753","0.0018","90","","100.672","0.008","90","","3751.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Cl Cu I3 N7 -","- C35 H35 Cl Cu I3 N7 -","- C140 H140 Cl4 Cu4 I12 N28 -","4","0.5","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.0601","0.0404","","","0.0777","0.0814","","","","","","0.9","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015905","12.886","0.0003","14.4285","0.0006","14.8203","0.0004","90","","90","","90","","2755.47","0.15","100","2","100","2","","","","","","","","7","P n n n :2","-P 2ab 2bc","48","","","","- C40 H42 Cl Cu2 I9 N8 O -","- C40 H40 Cl Cu2 I9 N8 O -","- C80 H80 Cl2 Cu4 I18 N16 O2 -","2","0.25","","Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H.","Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","5102","5115","10.1039/c1dt10224a","","","0.71073","MoKα","","0.0621","0.0423","","","0.119","0.1272","","","","","","1.113","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7015908","18.0939","0.0003","13.3115","0.0002","8.5775","0.0002","90","","90","","90","","2065.95","0.07","160","","160","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H22 Er2 N2 O16 -","- C12 H22 Er2 N2 O16 -","- C48 H88 Er8 N8 O64 -","4","1","","Li, Mengyuan; Liu, Bin; Wang, Bingwu; Wang, Zheming; Gao, Song; Kurmoo, Mohamedally","Erbium-formate frameworks templated by diammonium cations: syntheses, structures, structural transition and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6038","6046","10.1039/c1dt10241a","","","0.71073","MoKα","","0.033","0.0242","","","0.0679","0.0764","","","","","","1.113","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015909","14.7325","0.0002","12.999","0.0002","12.7787","0.0002","90","","104.975","0.0006","90","","2364.11","0.06","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Er2 N2 O16 -","- C14 H26 Er2 N2 O16 -","- C56 H104 Er8 N8 O64 -","4","0.5","","Li, Mengyuan; Liu, Bin; Wang, Bingwu; Wang, Zheming; Gao, Song; Kurmoo, Mohamedally","Erbium-formate frameworks templated by diammonium cations: syntheses, structures, structural transition and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6038","6046","10.1039/c1dt10241a","","","0.71073","MoKα","","0.0331","0.0231","","","0.0551","0.0571","","","","","","1.025","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015910","14.6163","0.0002","26.0625","0.0003","12.6784","0.0001","90","","105.046","0.0005","90","","4664.11","0.09","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Er2 N2 O16 -","- C14 H26 Er2 N2 O16 -","- C112 H208 Er16 N16 O128 -","8","2","","Li, Mengyuan; Liu, Bin; Wang, Bingwu; Wang, Zheming; Gao, Song; Kurmoo, Mohamedally","Erbium-formate frameworks templated by diammonium cations: syntheses, structures, structural transition and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6038","6046","10.1039/c1dt10241a","","","0.71073","MoKα","","0.0813","0.0339","","","0.0683","0.0772","","","","","","0.914","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015911","18.1266","0.0003","13.3611","0.0002","8.5791","0.0002","90","","90","","90","","2077.78","0.07","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H22 Er2 N2 O16 -","- C12 H22 Er2 N2 O16 -","- C48 H88 Er8 N8 O64 -","4","1","","Li, Mengyuan; Liu, Bin; Wang, Bingwu; Wang, Zheming; Gao, Song; Kurmoo, Mohamedally","Erbium-formate frameworks templated by diammonium cations: syntheses, structures, structural transition and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6038","6046","10.1039/c1dt10241a","","","0.71073","MoKα","","0.0359","0.0243","","","0.0671","0.0777","","","","","","1.122","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015912","18.202","0.003","18.202","0.003","45.641","0.008","90","","90","","90","","15121","4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C104 H136 Ir4 N8 O30 -","- C104 H136 Ir4 N6 O24 -","- C416 H544 Ir16 N24 O96 -","4","0.25","","Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-assembly of 1D mixed-metal tubular network with coordination bonds through the interconnection of organometallic metallamacrocycles by Ag(i) centers.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5166","5169","10.1039/c1dt10245a","","","0.71073","MoKα","","0.1031","0.066","","","0.178","0.1986","","","","","","1.055","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015913","36.876","0.005","36.814","0.005","22.468","0.003","90","","92.009","0.002","90","","30483","7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H169 Ag2.5 Ir4 N10.5 O47.5 -","- C110 H132 Ag2.5 Ir4 N10.5 O47.5 -","- C880 H1056 Ag20 Ir32 N84 O380 -","8","1","","Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-assembly of 1D mixed-metal tubular network with coordination bonds through the interconnection of organometallic metallamacrocycles by Ag(i) centers.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5166","5169","10.1039/c1dt10245a","","","0.71073","MoKα","","0.1539","0.1102","","","0.2885","0.3193","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015914","12.1868","0.0011","12.088","0.0005","15.7543","0.0006","90","","92.597","0.006","90","","2318.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl2 N5 O Rh -","- C25 H20 Cl2 N5 O Rh -","- C100 H80 Cl8 N20 O4 Rh4 -","4","1","","Majumder, Paramita; Baksi, Suparna; Halder, Sarmistha; Tadesse, Haregewine; Blake, Alexander J.; Drew, Michael G. B.; Bhattacharya, Samaresh","Formation of organorhodium complexes via C-H bond activation of 1,3-di(phenylazo)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5423","5425","10.1039/c1dt10247h","","","0.71073","MoKα","","0.1006","0.0543","","","0.1268","0.153","","","","","","0.803","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015915","15.3407","0.0015","13.3922","0.0013","19.085","0.0019","90","","103.245","0.002","90","","3816.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl2 N8 Rh2 -","- C36 H26 Cl2 N8 Rh2 -","- C144 H104 Cl8 N32 Rh8 -","4","1","","Majumder, Paramita; Baksi, Suparna; Halder, Sarmistha; Tadesse, Haregewine; Blake, Alexander J.; Drew, Michael G. B.; Bhattacharya, Samaresh","Formation of organorhodium complexes via C-H bond activation of 1,3-di(phenylazo)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5423","5425","10.1039/c1dt10247h","","","0.71073","MoKα","","0.0664","0.0363","","","0.0762","0.0819","","","","","","0.84","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015916","11.2704","0.0002","13.3655","0.0002","15.7056","0.0002","90","","90.1","0.001","90","","2365.8","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl2 N5 O0 Rh -","- C25 H18 Cl2 N5 Rh -","- C100 H72 Cl8 N20 Rh4 -","4","1","","Majumder, Paramita; Baksi, Suparna; Halder, Sarmistha; Tadesse, Haregewine; Blake, Alexander J.; Drew, Michael G. B.; Bhattacharya, Samaresh","Formation of organorhodium complexes via C-H bond activation of 1,3-di(phenylazo)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5423","5425","10.1039/c1dt10247h","","","0.71073","MoKα","","0.0434","0.0268","","","0.0574","0.0647","","","","","","1.008","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015917","19.488","0.005","12.271","0.002","7.963","0.0016","90","","106.575","0.016","90","","1825.1","0.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cl2 N4 O Rh -","- C18 H13 Cl2 N4 O Rh -","- C72 H52 Cl8 N16 O4 Rh4 -","4","0.5","","Majumder, Paramita; Baksi, Suparna; Halder, Sarmistha; Tadesse, Haregewine; Blake, Alexander J.; Drew, Michael G. B.; Bhattacharya, Samaresh","Formation of organorhodium complexes via C-H bond activation of 1,3-di(phenylazo)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5423","5425","10.1039/c1dt10247h","","","0.71073","MoKα","","0.1153","0.1045","","","0.2953","0.3063","","","","","","1.186","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015918","8.695","0.0009","9.7051","0.0011","12.1143","0.0015","78.088","0.01","84.53","0.009","83.077","0.009","990.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl2 N5 Rh -","- C20 H16 Cl2 N5 Rh -","- C40 H32 Cl4 N10 Rh2 -","2","1","","Majumder, Paramita; Baksi, Suparna; Halder, Sarmistha; Tadesse, Haregewine; Blake, Alexander J.; Drew, Michael G. B.; Bhattacharya, Samaresh","Formation of organorhodium complexes via C-H bond activation of 1,3-di(phenylazo)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5423","5425","10.1039/c1dt10247h","","","0.71073","MoKα","","0.0736","0.0655","","","0.1817","0.1855","","","","","","1.175","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015919","13.954","0.003","10.562","0.002","22.38","0.005","90","","107.29","0.03","90","","3149.4","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Mn(bpa)2(NCO)2(H2O))(pba)0.5(H2O)0.25","","","- C128 H130 Mn4 N28 O13 -","- C128 H130 Mn4 N28 O13 -","- C128 H130 Mn4 N28 O13 -","1","0.25","","De la Pinta, Noelia; Fidalgo, Luz; Madariaga, Gotzon; Mautner, Franz A.; Lezama, Luis; Cortés, Roberto","Bridging, terminal, free, anti and gauche BPA ligands in a 1D hybrid organic-inorganic Mn(II)-cyanate system.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6033","6037","10.1039/c1dt10257e","","","0.71073","MoKα","","0.0537","0.0462","","0.1101","","0.105","","","1.052","","","1.076","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015920","6.5182","0.0013","21.728","0.004","12.575","0.003","90","","99.77","0.03","90","","1755.1","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 Co2 N4 O10 S -","- C36 H30 Co2 N4 O10 S -","- C72 H60 Co4 N8 O20 S2 -","2","1","","Xiao, Dong-Rong; Zhang, Guang-Ju; Liu, Jun-Liang; Fan, Lin-Lin; Yuan, Ruo; Tong, Ming-Liang","Enantiopure chiral coordination polymers of tetrahedral and octahedral cobalt(ii) alternate chains exhibiting slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5680","5683","10.1039/c1dt10262a","","","0.71073","MoKα","","0.0461","0.0361","","","0.0768","0.0822","","","","","","0.994","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015921","6.5291","0.0013","21.749","0.004","12.586","0.003","90","","99.83","0.03","90","","1761","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 Co2 N4 O10 S -","- C36 H30 Co2 N4 O10 S -","- C72 H60 Co4 N8 O20 S2 -","2","1","","Xiao, Dong-Rong; Zhang, Guang-Ju; Liu, Jun-Liang; Fan, Lin-Lin; Yuan, Ruo; Tong, Ming-Liang","Enantiopure chiral coordination polymers of tetrahedral and octahedral cobalt(ii) alternate chains exhibiting slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5680","5683","10.1039/c1dt10262a","","","0.71073","MoKα","","0.035","0.0308","","","0.0742","0.0766","","","","","","1.012","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015922","12.8386","0.0013","7.5661","0.0007","8.9299","0.0009","90","","103.185","0.002","90","","844.57","0.14","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N2 O6 U -","- C4 H8 N2 O6 U -","- C16 H32 N8 O24 U4 -","4","0.5","","Weck, Philippe F.; Gong, Cynthia-May S; Kim, Eunja; Thuéry, Pierre; Czerwinski, Kenneth R.","One-dimensional uranium-organic coordination polymers: crystal and electronic structures of uranyl-diacetohydroxamate.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6007","6011","10.1039/c1dt10267b","","","0.71073","MoKα","","0.0455","0.0227","","","0.0541","0.0587","","","","","","0.962","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015923","9.0962","0.0002","13.0994","0.0003","29.6124","0.0006","90","","96.852","0.002","90","","3503.26","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Cl2 N7 O5 Pd -","- C29 H47 Cl2 N7 O4 Pd -","- C116 H188 Cl8 N28 O16 Pd4 -","4","1","","Bogojeski, Jovana; Jelić, Ratomir; Petrović, Dejan; Herdtweck, Eberhardt; Jones, Peter G.; Tamm, Matthias; Bugarčić, Zivadin D","Equilibrium studies of the reactions of palladium(ii) bis(imidazolin-2-imine) complexes with biologically relevant nucleophiles. The crystal structures of [(TL(tBu))PdCl]ClO(4) and [(BL(iPr))PdCl(2)].","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6515","6523","10.1039/c1dt10289c","","","0.71073","MoKα","","0.0878","0.0443","","","0.096","0.1055","","","","","","1.014","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015924","8.9184","0.0001","10.6686","0.0002","15.6865","0.0002","102.23","0.0007","95.6647","0.0008","104.122","0.0007","1396.64","0.04","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 Cl2 N6 Pd -","- C24 H44 Cl2 N6 Pd -","- C48 H88 Cl4 N12 Pd2 -","2","1","","Bogojeski, Jovana; Jelić, Ratomir; Petrović, Dejan; Herdtweck, Eberhardt; Jones, Peter G.; Tamm, Matthias; Bugarčić, Zivadin D","Equilibrium studies of the reactions of palladium(ii) bis(imidazolin-2-imine) complexes with biologically relevant nucleophiles. The crystal structures of [(TL(tBu))PdCl]ClO(4) and [(BL(iPr))PdCl(2)].","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6515","6523","10.1039/c1dt10289c","","","0.71073","MoKα","","0.0309","0.0308","","","0.0805","0.0806","","","","","","1.08","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015925","13.874","0.003","20.663","0.002","7.3166","0.0015","90","","101.44","0.02","90","","2055.8","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B10 Fe O S2 -","- C15 H20 B10 Fe O S2 -","- C60 H80 B40 Fe4 O4 S8 -","4","1","","Ye, Hongde; Xu, Baohua; Xie, Mingshi; Li, Yizhi; Yan, Hong","Disulfuration and hydrosulfuration of an alkyne at a 1,2-dicarba-closo-dodecaborane-thiolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6541","6546","10.1039/c1dt10315f","","","0.71073","MoKα","","0.0848","0.0539","","","0.1139","0.1255","","","","","","1.082","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015926","10.8684","0.0012","29.905","0.003","9.8368","0.0011","90","","90","","90","","3197.2","0.6","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H32 B10 Fe2 O2 S2 -","- C28 H32 B10 Fe2 O2 S2 -","- C112 H128 B40 Fe8 O8 S8 -","4","1","","Ye, Hongde; Xu, Baohua; Xie, Mingshi; Li, Yizhi; Yan, Hong","Disulfuration and hydrosulfuration of an alkyne at a 1,2-dicarba-closo-dodecaborane-thiolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6541","6546","10.1039/c1dt10315f","","","0.71073","MoKα","","0.0708","0.0548","","","0.1149","0.1209","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015927","30.811","0.002","15.3195","0.0015","23.37","0.002","90","","131.239","0.003","90","","8294.8","1.3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 B10 Fe O S -","- C15 H22 B10 Fe O S -","- C240 H352 B160 Fe16 O16 S16 -","16","2","","Ye, Hongde; Xu, Baohua; Xie, Mingshi; Li, Yizhi; Yan, Hong","Disulfuration and hydrosulfuration of an alkyne at a 1,2-dicarba-closo-dodecaborane-thiolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6541","6546","10.1039/c1dt10315f","","","0.71073","MoKα","","0.0792","0.0554","","","0.1195","0.1248","","","","","","1.056","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015928","16.43","0.0005","12.4506","0.0003","20.3608","0.0005","90","","91.52","0.002","90","","4163.61","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 F7 N3 Ni P3 -","- C46 H43 F7 N3 Ni P3 -","- C184 H172 F28 N12 Ni4 P12 -","4","1","","Cariou, Renan; Graham, Todd W.; Dahcheh, Fatme; Stephan, Douglas W.","Oxidative addition of aryl halides: routes to mono- and dimetallic nickel amino-bis-phosphinimine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5419","5422","10.1039/c1dt10341e","","","0.71073","MoKα","","0.0842","0.0481","","","0.1111","0.1281","","","","","","1.011","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015929","13.0021","0.0008","13.4865","0.0009","13.6681","0.0009","94.433","0.003","93.317","0.004","107.921","0.003","2265.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Br N5 Ni P2 -","- C50 H50 Br N5 Ni P2 -","- C100 H100 Br2 N10 Ni2 P4 -","2","1","","Cariou, Renan; Graham, Todd W.; Dahcheh, Fatme; Stephan, Douglas W.","Oxidative addition of aryl halides: routes to mono- and dimetallic nickel amino-bis-phosphinimine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5419","5422","10.1039/c1dt10341e","","","0.71073","MoKα","","0.027","0.0225","","","0.0534","0.0554","","","","","","1.031","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015930","8.4274","0.0011","14.2654","0.0017","14.8223","0.0018","109.086","0.006","100.108","0.007","101.114","0.006","1596.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H50 Br3 N3 Ni2 P2 -","- C22 H50 Br3 N3 Ni2 P2 -","- C44 H100 Br6 N6 Ni4 P4 -","2","1","","Cariou, Renan; Graham, Todd W.; Dahcheh, Fatme; Stephan, Douglas W.","Oxidative addition of aryl halides: routes to mono- and dimetallic nickel amino-bis-phosphinimine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5419","5422","10.1039/c1dt10341e","","","0.71073","MoKα","","0.0626","0.0468","","","0.1093","0.1165","","","","","","1.067","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015931","9.01","0.003","7.117","0.002","11.755","0.004","90","","90","","90","","753.8","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C2 H0.5 Mn O4.25 -","- C2 H0.5 Mn O4.25 -","- C16 H4 Mn8 O34 -","8","1","","Zhang, Bin; Zhang, Yan; Zhang, Jinbiao; Hao, Xiang; Zhu, Daoben","Mn(C(2)O(4))(H(2)O)(0.25): an antiferromagnetic oxalato-based cage compound.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5430","5432","10.1039/c1dt10346f","","","0.71073","MoKα","","0.0362","0.0356","","","0.0898","0.0902","","","","","","1.314","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015932","16.306","0.001","15.579","0.001","17.484","0.001","90","","90","","90","","4441.5","0.5","100","2","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H37 B9 P3 Rh S -","- C9 H36.917 B9 P3 Rh S -","- C72 H295.336 B72 P24 Rh8 S8 -","8","1","","Calvo, Beatriz; Kess, Martin; Macías, Ramón; Cunchillos, Carmen; Lahoz, Fernando J.; Kennedy, John D.; Oro, Luis A.","Chemistry of 11-vertex rhodathiaboranes: reactions with monodentate phosphines.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6555","6564","10.1039/c1dt10355e","","x-ray","0.7378","synchrotron","","0.0264","0.0252","","","0.0684","0.0693","","","","","","1.057","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015933","11.496","0.001","12.603","0.001","17.124","0.001","75.935","0.001","82.607","0.001","65.07","0.001","2181.4","0.3","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 B9 P3 Rh S -","- C42.24 H49 B9 P3 Rh S -","- C84.48 H98 B18 P6 Rh2 S2 -","2","1","","Calvo, Beatriz; Kess, Martin; Macías, Ramón; Cunchillos, Carmen; Lahoz, Fernando J.; Kennedy, John D.; Oro, Luis A.","Chemistry of 11-vertex rhodathiaboranes: reactions with monodentate phosphines.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6555","6564","10.1039/c1dt10355e","","x-ray","0.7378","synchrotron","","0.0423","0.0402","","","0.1091","0.1105","","","","","","1.075","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015934","12.5108","0.0003","18.0389","0.0005","20.3508","0.0005","90","","102.919","0.001","90","","4476.5","0.2","150","0.2","150","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Br8 F42 Mo6 N2 O12 -","- C56 H72 Br8 F42 Mo6 N2 O12 -","- C112 H144 Br16 F84 Mo12 N4 O24 -","2","0.5","","Sokolov, Maxim N.; Mihailov, Maxim A.; Peresypkina, Eugenia V.; Brylev, Konstantin A.; Kitamura, Noboru; Fedin, Vladimir P.","Highly luminescent complexes [Mo(6)X(8)(n-C(3)F(7)COO)(6)](2-) (X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6375","6377","10.1039/c1dt10376h","","","0.71073","MoKα","","0.0947","0.0393","","","0.0627","0.0765","","","","","","0.993","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015935","12.6401","0.0002","18.0913","0.0003","20.4073","0.0004","90","","101.806","0.001","90","","4567.94","0.14","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 F42 I8 Mo6 N2 O12 -","- C56 H72 F42 I8 Mo6 N2 O12 -","- C112 H144 F84 I16 Mo12 N4 O24 -","2","0.5","","Sokolov, Maxim N.; Mihailov, Maxim A.; Peresypkina, Eugenia V.; Brylev, Konstantin A.; Kitamura, Noboru; Fedin, Vladimir P.","Highly luminescent complexes [Mo(6)X(8)(n-C(3)F(7)COO)(6)](2-) (X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6375","6377","10.1039/c1dt10376h","","","0.71073","MoKα","","0.0446","0.0286","","","0.0523","0.0575","","","","","","1.01","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015936","12.4215","0.0003","17.936","0.0006","20.1925","0.0006","90","","103.296","0.001","90","","4378.1","0.2","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Cl8 F42 N2 O12 W6 -","- C56 H72 Cl8 F42 N2 O12 W6 -","- C112 H144 Cl16 F84 N4 O24 W12 -","2","0.5","","Sokolov, Maxim N.; Mihailov, Maxim A.; Peresypkina, Eugenia V.; Brylev, Konstantin A.; Kitamura, Noboru; Fedin, Vladimir P.","Highly luminescent complexes [Mo(6)X(8)(n-C(3)F(7)COO)(6)](2-) (X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6375","6377","10.1039/c1dt10376h","","","0.71073","MoKα","","0.0709","0.047","","","0.0588","0.0637","","","","","","1.041","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015937","14.9147","0.0002","24.562","0.0004","16.545","0.0002","90","","94.707","0.001","90","","6040.57","0.15","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H65 Cl2 Fe N7 O21 -","- C56 H65 Cl2 Fe N7 O21 -","- C224 H260 Cl8 Fe4 N28 O84 -","4","1","","Raatikainen, Kari; Huuskonen, Juhani; Rissanen, Kari","Discriminating octahedral transition metal ions: highly selective tripodal tris-(2,2'-bipyridine) functionalized piperazine cyclophane receptor for Cu(2+) ions.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5706","5710","10.1039/c1dt10406c","","x-ray","0.71073","MoKα","","0.0976","0.063","","","0.1265","0.1447","","","","","","1.095","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015938","13.6922","0.0014","18.3992","0.0014","19.312","0.002","110.059","0.004","91.044","0.006","94.961","0.006","4547","0.8","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C81 H86 Cl4 F3 Fe N15 O28 -","- C81 H86 Cl4 F3 Fe N15 O28 -","- C162 H172 Cl8 F6 Fe2 N30 O56 -","2","1","","Raatikainen, Kari; Huuskonen, Juhani; Rissanen, Kari","Discriminating octahedral transition metal ions: highly selective tripodal tris-(2,2'-bipyridine) functionalized piperazine cyclophane receptor for Cu(2+) ions.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5706","5710","10.1039/c1dt10406c","","x-ray","1.54184","CuKα","","0.1969","0.1204","","","0.2774","0.3305","","","","","","1.055","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015939","13.8873","0.0002","24.0212","0.0003","31.2772","0.0004","90","","101.126","0.001","90","","10237.6","0.2","123","2","123","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C72 H71 Fe N15 O43 S2 -","- C72 H71 Fe N15 O43 S2 -","- C288 H284 Fe4 N60 O172 S8 -","4","1","","Raatikainen, Kari; Huuskonen, Juhani; Rissanen, Kari","Discriminating octahedral transition metal ions: highly selective tripodal tris-(2,2'-bipyridine) functionalized piperazine cyclophane receptor for Cu(2+) ions.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5706","5710","10.1039/c1dt10406c","","x-ray","0.71073","MoKα","","0.091","0.0778","","","0.2163","0.232","","","","","","1.088","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015940","46","0.006","47.725","0.006","8.9835","0.0012","90","","90","","90","","19722","4","203","2","203","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C47.5 H51 Ag F3 N3 O3 S -","- C47.5 H51 Ag F3 N3 O3 S -","- C760 H816 Ag16 F48 N48 O48 S16 -","16","1","","Jurca, Titel; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","Novel pincer complexes of Ag(I), coordination of toluene and their comparison with indium analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4394","4396","10.1039/c1dt10411j","","","0.71073","MoKα","","0.1037","0.068","","","0.1699","0.1966","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015941","11.1617","0.0005","15.355","0.0006","16.026","0.0007","76.361","0.002","78.113","0.002","69.665","0.002","2479.56","0.19","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H63 Ag F3 N3 O3 S -","- C55 H63 Ag F3 N3 O3 S -","- C110 H126 Ag2 F6 N6 O6 S2 -","2","1","","Jurca, Titel; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","Novel pincer complexes of Ag(I), coordination of toluene and their comparison with indium analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4394","4396","10.1039/c1dt10411j","","","0.71073","MoKα","","0.0695","0.0569","","","0.1547","0.1624","","","","","","1.037","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015942","9.6367","0.0018","27.216","0.005","11.094","0.002","90","","91.654","0.003","90","","2908.4","0.9","200","2","200","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C50.5 H57.5 Ag Cl7.5 F3 N3 O3 S -","- C50.5 H57.5 Ag Cl7.5 F3 N3 O3 S -","- C101 H115 Ag2 Cl15 F6 N6 O6 S2 -","2","0.5","","Jurca, Titel; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","Novel pincer complexes of Ag(I), coordination of toluene and their comparison with indium analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4394","4396","10.1039/c1dt10411j","","","0.71073","MoKα","","0.1505","0.0811","","","0.1666","0.193","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015943","14.927","0.005","14.927","0.005","14.927","0.005","90","","90","","90","","3326","1.9","120","2","120","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C24 H55 B2 Cu3 F4 N3 O18 -","- C24 H51 B2 Cu3 F4 N3 O18 -","- C96 H204 B8 Cu12 F16 N12 O72 -","4","0.333333","","Kirillov, Alexander M.; Karabach, Yauhen Y.; Kirillova, Marina V.; Haukka, Matti; Pombeiro, Armando J. L.","New diamondoid-like [Cu(3)B(μ-O)(6)] core self-assembled from Bis-Tris biobuffer for mild hydrocarboxylation of alkanes to carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6378","6381","10.1039/c1dt10421g","","","0.71069","MoKα","","0.0455","0.0389","","","0.1078","0.1123","","","","","","1.077","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015944","10.205","0.002","20.135","0.004","35.578","0.008","90","","90","","90","","7310","3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","NiFe","","","- C22 H42 Fe3 N10 Ni2 O7 S4 -","- C22 H42 Fe3 N10 Ni2 O7 S4 -","- C176 H336 Fe24 N80 Ni16 O56 S32 -","8","1","","Hsieh, Chung-Hung; Chupik, Rachel B.; Brothers, Scott M.; Hall, Michael B.; Darensbourg, Marcetta Y.","cis-Dithiolatonickel as metalloligand to dinitrosyl iron units: the di-metallic structure of Ni(μ-SR)[Fe(NO)(2)] and an unexpected, abbreviated metalloadamantyl cluster, Ni(2)(μ-SR)(4)[Fe(NO)(2)](3).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6047","6053","10.1039/c1dt10438a","","","1.54178","CuKα","","0.1365","0.0966","","","0.1883","0.2057","","","","","","1.157","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015945","8.107","0.008","16.982","0.016","13.501","0.01","90","","122.67","0.04","90","","1565","3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","None","","","- C10 H18 Fe N4 Ni O3 S2 -","- C10 H18 Fe N4 Ni O3 S2 -","- C40 H72 Fe4 N16 Ni4 O12 S8 -","4","1","","Hsieh, Chung-Hung; Chupik, Rachel B.; Brothers, Scott M.; Hall, Michael B.; Darensbourg, Marcetta Y.","cis-Dithiolatonickel as metalloligand to dinitrosyl iron units: the di-metallic structure of Ni(μ-SR)[Fe(NO)(2)] and an unexpected, abbreviated metalloadamantyl cluster, Ni(2)(μ-SR)(4)[Fe(NO)(2)](3).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6047","6053","10.1039/c1dt10438a","","","0.71073","MoKα","","0.0503","0.0394","","","0.1153","0.1313","","","","","","1.075","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015946","7.229","0.002","14.047","0.005","18.191","0.006","90","","95.26","0.02","90","","1839.4","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetracarbonyl(1,5-bis(dimethylstibino)-3-oxapentane-Sb,Sb')tungsten(0)","","- C12 H20 O5 Sb2 W -","- C12 H20 O5 Sb2 W -","- C48 H80 O20 Sb8 W4 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid dibismuthines and distibines as ligands towards transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6565","6574","10.1039/c1dt10447k","","","0.71073","MoKα","","0.0686","0.0568","","","0.1316","0.1429","","","","","","1.048","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015947","8.7926","0.001","14.589","0.002","11.1433","0.001","90","","106.534","0.008","90","","1370.3","0.3","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","tricarbonyl(bis[(2-dimethylstibino)benzyl]sulfide)manganese(I) trifluoromethanesulfonate","","- C22 H24 F3 Mn O6 S2 Sb2 -","- C22 H24 F3 Mn O6 S2 Sb2 -","- C44 H48 F6 Mn2 O12 S4 Sb4 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid dibismuthines and distibines as ligands towards transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6565","6574","10.1039/c1dt10447k","","","0.71073","MoKα","","0.0274","0.0247","","","0.0573","0.0589","","","","","","1.098","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015948","12.6781","0.001","11.2606","0.001","16.552","0.0015","90","","90.357","0.005","90","","2363","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl(bis[(2-dimethylstibino)benzyl]sulfide)chromium(0)","","- C21 H24 Cr O3 S Sb2 -","- C21 H24 Cr O3 S Sb2 -","- C84 H96 Cr4 O12 S4 Sb8 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid dibismuthines and distibines as ligands towards transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6565","6574","10.1039/c1dt10447k","","","0.71073","MoKα","","0.0414","0.0332","","","0.0606","0.0641","","","","","","1.129","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015949","7.2837","0.0005","13.933","0.002","17.804","0.003","90","","94.69","0.01","90","","1800.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetracarbonyl(1,5-bis(dimethylstibino)-3-oxapentane)chromium(0)","","- C12 H20 Cr O5 Sb2 -","- C12 H20 Cr O5 Sb2 -","- C48 H80 Cr4 O20 Sb8 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid dibismuthines and distibines as ligands towards transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6565","6574","10.1039/c1dt10447k","","","0.71073","MoKα","","0.0741","0.0641","","","0.161","0.1723","","","","","","1.021","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015950","11.244","0.0015","14.737","0.002","17.721","0.003","90","","107.168","0.01","90","","2805.6","0.7","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","fac-tricarbonyl(bis(N-(2-(dimethylstibanyl)benzyl))-methanamine)manganese(I) trifluoromethanesulfonate","","- C23 H27 F3 Mn N O6 S Sb2 -","- C23 H27 F3 Mn N O6 S Sb2 -","- C92 H108 F12 Mn4 N4 O24 S4 Sb8 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid dibismuthines and distibines as ligands towards transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6565","6574","10.1039/c1dt10447k","","","0.71073","MoKα","","0.0888","0.0616","","","0.1121","0.1259","","","","","","1.081","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015951","8.9364","0.0015","18.427","0.003","16.23","0.003","90","","100.494","0.007","90","","2627.9","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetracarbonyl-(bis(N-(2-(dimethylstibanyl)benzyl))-methanamine)-tungsten(0)","","- C23 H27 N O4 Sb2 W -","- C23 H27 N O4 Sb2 W -","- C92 H108 N4 O16 Sb8 W4 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid dibismuthines and distibines as ligands towards transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6565","6574","10.1039/c1dt10447k","","","0.71073","MoKα","","0.0254","0.0227","","","0.0486","0.0498","","","","","","1.122","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015952","9.6141","0.0015","26.06","0.004","10.2948","0.0015","90","","97.699","0.01","90","","2556","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetracarbonyl-(bis(N-(2-(dimethylstibanyl)benzyl))-methanamine)-chromium(0)","","- C23 H27 Cr N O4 Sb2 -","- C23 H27 Cr N O4 Sb2 -","- C92 H108 Cr4 N4 O16 Sb8 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid dibismuthines and distibines as ligands towards transition metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6565","6574","10.1039/c1dt10447k","","","0.71073","MoKα","","0.0767","0.0589","","","0.1094","0.1183","","","","","","1.106","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7015953","33.351","0.003","19.9419","0.0019","21.019","0.002","90","","95.073","0.002","90","","13925","2","186","2","186","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C101 H160 Dy9 N8 O41 -","- C101 H160 Dy9 N8 O41 -","- C404 H640 Dy36 N32 O164 -","4","0.5","","Xu, Xuebin; Zhao, Lang; Xu, Gong-Feng; Guo, Yun-Nan; Tang, Jinkui; Liu, Zhiliang","A diabolo-shaped Dy(9) cluster: synthesis, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6440","6444","10.1039/c1dt10450k","","","0.71073","MoKα","","0.0577","0.0419","","","0.1164","0.1304","","","","","","1.068","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015954","12.8817","0.0006","15.2658","0.0007","17.4986","0.0008","75.639","0.002","68.973","0.002","68.653","0.002","2964.2","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H43 B F20 Fe2 N2 Zn -","- C69 H38 B F20 Fe2 N2 Zn -","- C138 H76 B2 F40 Fe4 N4 Zn2 -","2","1","","Stanlake, Louisa J. E.; Stephan, Douglas W.","Reactions of Zn bis-ferrocenyl-β-diketiminates with [Ph(3)C][B(C(6)F(5))(4)].","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5836","5840","10.1039/c1dt10452g","","","0.71073","MoKα","","0.0585","0.0386","","","0.1016","0.111","","","","","","1.035","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015955","10.2189","0.0005","10.2854","0.0005","15.9509","0.0008","86.175","0.001","89.303","0.001","63.458","0.001","1496.2","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H11 Ag3 N11 O Pr S6 -","- C17 H9 Ag3 N11 O Pr S6 -","- C34 H18 Ag6 N22 O2 Pr2 S12 -","2","1","","Cui, Hai-Lin; Zhan, Shun-Ze; Li, Mian; Weng Ng, Seik; Li, Dan","Luminescent isomeric Pr-Ag coordination polymers immobilized with organic sensitizer and Ag-S clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6490","6493","10.1039/c1dt10453e","","","0.71073","MoKα","","0.0307","0.0271","","","0.0778","0.0855","","","","","","1.166","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015956","11.831","","16.177","","15.046","","90","","103.27","","90","","2802.77","","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H9 Ag3 N11 Pr S6 -","- C17 H9 Ag3 N11 Pr S6 -","- C68 H36 Ag12 N44 Pr4 S24 -","4","1","","Cui, Hai-Lin; Zhan, Shun-Ze; Li, Mian; Weng Ng, Seik; Li, Dan","Luminescent isomeric Pr-Ag coordination polymers immobilized with organic sensitizer and Ag-S clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6490","6493","10.1039/c1dt10453e","","","0.71073","MoKα","","0.0484","0.0385","","","0.0871","0.0926","","","","","","1.036","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015957","13.162","0.005","18.095","0.005","16.316","0.005","90","0.005","104.265","0.005","90","0.005","3766","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl12 N3 P6 -","- C24 H15 Cl12 N3 P6 -","- C96 H60 Cl48 N12 P24 -","4","1","","Rao, Sowmya; Ganesamoorthy, Chelladurai; Mobin, Shaikh M.; Balakrishna, Maravanji S.","New hexaphosphane ligands 1,3,5-C(6)H(3){p-C(6)H(4)N(PX(2))(2)}(3) [X = Cl, F, C(6)H(3)OMe(C(3)H(5))]: Synthesis, derivatization and palladium(ii) and platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5841","5843","10.1039/c1dt10459d","","","0.71073","MoKα","","0.0703","0.0386","","","0.0848","0.0903","","","","","","0.847","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015958","9.7029","0.0006","10.1842","0.0006","11.1003","0.0007","107.292","0.001","91.191","0.001","109.512","0.001","978.34","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H9 Cu3 N14 -","- C16 H9 Cu3 N14 -","- C32 H18 Cu6 N28 -","2","1","","Wen, Tian; Li, Mian; Zhou, Xiao-Ping; Li, Dan","Unprecedented copper(i)-catalyzed in situ double cycloaddition reaction based on 2-cyanopyrimidine.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5684","5686","10.1039/c1dt10488h","","","0.71073","MoKα","","0.0689","0.0466","","","0.1135","0.1496","","","","","","1.106","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015959","16.039","0.002","9.0345","0.0012","14.6031","0.0019","90","","111.974","0.002","90","","1962.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H6 Cu2 N13 -","- C11 H6 Cu2 N13 -","- C44 H24 Cu8 N52 -","4","0.5","","Wen, Tian; Li, Mian; Zhou, Xiao-Ping; Li, Dan","Unprecedented copper(i)-catalyzed in situ double cycloaddition reaction based on 2-cyanopyrimidine.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5684","5686","10.1039/c1dt10488h","","","0.71073","MoKα","","0.0599","0.0511","","","0.1563","0.1622","","","","","","1.125","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015960","8.3754","0.0015","10.891","0.002","14.418","0.003","96.696","0.003","101.866","0.003","96.275","0.003","1266.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H12 Cu4 N16 -","- C22 H12 Cu4 N16 -","- C44 H24 Cu8 N32 -","2","1","","Wen, Tian; Li, Mian; Zhou, Xiao-Ping; Li, Dan","Unprecedented copper(i)-catalyzed in situ double cycloaddition reaction based on 2-cyanopyrimidine.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5684","5686","10.1039/c1dt10488h","","","0.71073","MoKα","","0.0528","0.0436","","","0.1111","0.1183","","","","","","1.058","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015961","14.056","0.003","14.073","0.003","22.616","0.005","78.454","0.004","83.369","0.004","62.894","0.003","3900.2","1.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C130 H118 Cl2 F18 N20 O34 Ru2 S6 -","- C126 H106 Cl2 F18 N16 O26 Ru2 S6 -","- C126 H106 Cl2 F18 N16 O26 Ru2 S6 -","1","0.5","","Mercer, Darren J.; Loeb, Stephen J.","Complexes of a [2]rotaxane ligand with terminal terpyridine groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6385","6387","10.1039/c1dt10569h","","","0.71073","MoKα","","0.2567","0.1212","","","0.283","0.335","","","","","","0.881","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015962","24.665","0.014","26.27","0.015","21.104","0.012","90","","108.612","0.007","90","","12959","13","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C100 H105 B F25 N13 O41 S7 Zn2 -","- C100 H105 B F25 N13 O41 S7 Zn2 -","- C400 H420 B4 F100 N52 O164 S28 Zn8 -","4","1","","Mercer, Darren J.; Loeb, Stephen J.","Complexes of a [2]rotaxane ligand with terminal terpyridine groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6385","6387","10.1039/c1dt10569h","","","0.71073","MoKα","","0.4726","0.1241","","","0.2584","0.435","","","","","","0.937","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7015963","10.798","0.002","17.973","0.004","11.474","0.002","90","","100.4","0.03","90","","2190.2","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H52 Ag3 N7 O18 -","- C36 H52 Ag3 N7 O18 -","- C72 H104 Ag6 N14 O36 -","2","1","","Sun, Di; Wang, Dan-Feng; Zhang, Na; Liu, Fu-Jing; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Capture and activation of aerial CO(2) by carbamoylation of l-threonine in a Ag(i) supramolecular framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5677","5679","10.1039/c1dt10571j","","","0.71073","MoKα","","0.047","0.0346","","","0.0747","0.0813","","","","","","1.055","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015964","11.9605","0.0013","16.5826","0.0019","14.5928","0.0016","90","","95.819","0.002","90","","2879.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 N5 O2 -","- C34 H35 N5 O2 -","- C136 H140 N20 O8 -","4","1","","Xi, Pinxian; Huang, Liang; Xie, Guoqiang; Chen, Fengjuan; Xu, Zhihong; Bai, Decheng; Zeng, Zhengzhi","A turn-on chemosensor for Hg(2+) in aqueous media and its application in ""MCT"" imaging in living cells.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6382","6384","10.1039/c1dt10573f","","","0.71073","MoKα","","0.0753","0.0482","","","0.1577","0.2098","","","","","","0.72","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015965","12.01","0.005","13.357","0.005","15.479","0.005","64.734","0.005","68.267","0.005","75.477","0.005","2073.2","1.3","173","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H120 Eu K2 N4 O4 Si2 -","- C88 H120 Eu K2 N4 O4 Si2 -","- C88 H120 Eu K2 N4 O4 Si2 -","1","0.5","","Pan, Cheng-Ling; Pan, Yu-Song; Wang, Jing; Song, Jiang-Feng","A heterometallic sandwich complex of europium(ii) for luminescent studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6361","6363","10.1039/c1dt10635j","","","0.71069","MoKα","","0.109","0.0722","","","0.1792","0.21","","","","","","1.036","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7015966","25.604","0.005","18.385","0.004","17.539","0.004","90","","98.91","0.03","90","","8156","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Co Ni P4 -","- C40 H46 Co Ni P4 -","- C320 H368 Co8 Ni8 P32 -","8","2","","Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian","Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6886","6892","10.1039/c0dt01386b","","","0.71073","MoKα","","0.2057","0.1016","","","0.1963","0.2367","","","","","","0.946","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015967","11.816","0.006","16.502","0.009","20.416","0.011","90","","103.579","0.011","90","","3870","4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Co Fe P4 -","- C42 H52 Co Fe P4 -","- C168 H208 Co4 Fe4 P16 -","4","1","","Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian","Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6886","6892","10.1039/c0dt01386b","","","0.71073","MoKα","","0.241","0.097","","","0.2087","0.2803","","","","","","0.985","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015968","10.5071","0.0014","19.009","0.003","20.07","0.003","69.582","0.002","87.254","0.002","86.414","0.002","3747.9","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Co Ni P4 -","- C40 H46 Co Ni P4 -","- C160 H184 Co4 Ni4 P16 -","4","2","","Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian","Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6886","6892","10.1039/c0dt01386b","","","0.71073","MoKα","","0.073","0.0449","","","0.1156","0.1405","","","","","","1.041","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015969","12.649","0.011","17.258","0.015","18.33","0.015","90","","103.868","0.014","90","","3885","6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Co2 P4 -","- C40 H46 Co2 P4 -","- C160 H184 Co8 P16 -","4","1","","Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian","Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6886","6892","10.1039/c0dt01386b","","","0.71073","MoKα","","0.0905","0.0637","","","0.169","0.1841","","","","","","1.003","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015970","8.994","0.004","9.975","0.005","20.652","0.011","87.715","0.012","83.42","0.012","65.95","0.02","1680.8","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Co Ni P2 -","- C42 H40 Co Ni P2 -","- C84 H80 Co2 Ni2 P4 -","2","1","","Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian","Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6886","6892","10.1039/c0dt01386b","","","0.71073","MoKα","","0.2495","0.0921","","","0.163","0.2491","","","","","","0.936","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015971","13.2681","0.0019","15.846","0.002","17.926","0.003","90","","93.362","0.002","90","","3762.4","1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H46 Co Fe P4 -","- C40 H46 Co Fe P4 -","- C160 H184 Co4 Fe4 P16 -","4","1","","Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian","Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6886","6892","10.1039/c0dt01386b","","","0.71073","MoKα","","0.0581","0.045","","","0.1161","0.1243","","","","","","1.022","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015972","10.468","0.008","18.923","0.013","20.003","0.014","69.728","0.014","87.192","0.014","86.672","0.014","3709","5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Fe Ni P4 -","- C40 H46 Fe Ni P4 -","- C160 H184 Fe4 Ni4 P16 -","4","2","","Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian","Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6886","6892","10.1039/c0dt01386b","","","0.71073","MoKα","","0.148","0.0697","","","0.166","0.216","","","","","","0.943","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015973","10.524","0.003","18.946","0.006","20.071","0.006","69.857","0.006","87.349","0.006","87.141","0.006","3751","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Co Fe P4 -","- C40 H46 Co Fe P4 -","- C160 H184 Co4 Fe4 P16 -","4","2","","Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian","Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6886","6892","10.1039/c0dt01386b","","","0.71073","MoKα","","0.1588","0.0693","","","0.1625","0.25","","","","","","0.999","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015974","12.6728","0.0019","12.6728","0.0019","42.174","0.007","90","","90","","120","","5865.7","1.6","120","2","120","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Cl8 Fe3 N6 S6 -","- C24 H24 Cl8 Fe3 N6 S6 -","- C144 H144 Cl48 Fe18 N36 S36 -","6","0.166667","","Abedi, Anita; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza","Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)(3)][FeCl(4)](2) and [Fe(dm4bt)(3)][FeBr(4)](2), along with the investigation of steric influence on spin state.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6877","6885","10.1039/c0dt01508c","","","0.71073","MoKα","","0.0351","0.0341","","","0.0848","0.0856","","","","","","1.124","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015975","12.8209","0.0007","12.8209","0.0007","43.002","0.003","90","","90","","120","","6121.5","0.6","120","2","120","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Br8 Fe3 N6 S6 -","- C24 H24 Br8 Fe3 N6 S6 -","- C144 H144 Br48 Fe18 N36 S36 -","6","0.166667","","Abedi, Anita; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza","Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)(3)][FeCl(4)](2) and [Fe(dm4bt)(3)][FeBr(4)](2), along with the investigation of steric influence on spin state.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6877","6885","10.1039/c0dt01508c","","","0.71073","MoKα","","0.0462","0.0394","","","0.0955","0.0984","","","","","","1.171","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015976","12.8035","0.0006","12.8035","0.0006","43.027","0.003","90","","90","","120","","6108.4","0.6","90","2","90","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Br8 Fe3 N6 S6 -","- C24 H24 Br8 Fe3 N6 S6 -","- C144 H144 Br48 Fe18 N36 S36 -","6","0.166667","","Abedi, Anita; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza","Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)(3)][FeCl(4)](2) and [Fe(dm4bt)(3)][FeBr(4)](2), along with the investigation of steric influence on spin state.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6877","6885","10.1039/c0dt01508c","","","0.71073","MoKα","","0.0382","0.0321","","","0.064","0.066","","","","","","1.192","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015977","12.9677","0.0018","12.9677","0.0018","43.692","0.009","90","","90","","120","","6362.9","1.8","298","2","298","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Br4 Fe3 N6 S6 -","- C24 H24 Br8 Fe3 N6 S6 -","- C144 H144 Br48 Fe18 N36 S36 -","6","0.166667","","Abedi, Anita; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza","Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)(3)][FeCl(4)](2) and [Fe(dm4bt)(3)][FeBr(4)](2), along with the investigation of steric influence on spin state.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6877","6885","10.1039/c0dt01508c","","","0.71073","MoKα","","0.0839","0.0606","","","0.1476","0.1595","","","","","","1.11","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015978","6.6823","0.0002","8.5837","0.0003","10.1917","0.0003","93.057","0.001","104.628","0.002","99.897","0.002","554.34","0.03","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Au2 Mn N8 O8 -","- C8 H16 Au2 Mn N8 O8 -","- C8 H16 Au2 Mn N8 O8 -","1","0.5","","Geisheimer, Andrew R.; Huang, Wen; Pacradouni, Vighen; Sabok-Sayr, Seyed Ahmad; Sonier, Jeff E.; Leznoff, Daniel B.","Magnetic properties of isostructural M(H(2)O)(4)[Au(CN)(4)](2)-based coordination polymers (M = Mn, Co, Ni, Cu, Zn) by SQUID and μSR studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7505","7516","10.1039/c0dt01546f","","","0.71073","MoKα","","0.0677","0.0314","","0.0502","0.0337","0.0328","","","","","","0.9637","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015979","6.6483","0.001","8.5123","0.0015","10.084","0.0018","92.779","0.015","105.677","0.014","99.743","0.014","538.85","0.17","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Au2 Co N8 O8 -","- C8 H16 Au2 Co N8 O8 -","- C8 H16 Au2 Co N8 O8 -","1","0.5","","Geisheimer, Andrew R.; Huang, Wen; Pacradouni, Vighen; Sabok-Sayr, Seyed Ahmad; Sonier, Jeff E.; Leznoff, Daniel B.","Magnetic properties of isostructural M(H(2)O)(4)[Au(CN)(4)](2)-based coordination polymers (M = Mn, Co, Ni, Cu, Zn) by SQUID and μSR studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7505","7516","10.1039/c0dt01546f","","","0.71073","MoKα","","0.838","0.0348","","0.0439","0.0389","0.0381","","","","","","1.2849","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015980","6.6216","0.0009","8.5492","0.0009","10.0117","0.0012","92.749","0.01","105.997","0.01","99.633","0.01","534.47","0.12","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Au2 N8 Ni O8 -","- C8 H16 Au2 N8 Ni O8 -","- C8 H16 Au2 N8 Ni O8 -","1","0.5","","Geisheimer, Andrew R.; Huang, Wen; Pacradouni, Vighen; Sabok-Sayr, Seyed Ahmad; Sonier, Jeff E.; Leznoff, Daniel B.","Magnetic properties of isostructural M(H(2)O)(4)[Au(CN)(4)](2)-based coordination polymers (M = Mn, Co, Ni, Cu, Zn) by SQUID and μSR studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7505","7516","10.1039/c0dt01546f","","","0.71073","MoKα","","0.0912","0.0575","","0.0801","0.072","0.0699","","","","","","1.1962","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015981","6.4798","0.0002","12.4272","0.0003","13.6182","0.0003","98.294","0.001","94.586","0.001","101.137","0.001","1058.13","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Au2 Cu N8 O8 -","- C8 H16 Au2 Cu N8 O8 -","- C16 H32 Au4 Cu2 N16 O16 -","2","1","","Geisheimer, Andrew R.; Huang, Wen; Pacradouni, Vighen; Sabok-Sayr, Seyed Ahmad; Sonier, Jeff E.; Leznoff, Daniel B.","Magnetic properties of isostructural M(H(2)O)(4)[Au(CN)(4)](2)-based coordination polymers (M = Mn, Co, Ni, Cu, Zn) by SQUID and μSR studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7505","7516","10.1039/c0dt01546f","","","0.71073","MoKα","","0.0466","0.0336","","0.0492","0.0434","0.0429","","","","","","0.9517","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015982","6.6384","0.0004","8.5458","0.0005","10.0854","0.0006","92.839","0.003","105.32","0.003","99.872","0.004","540.93","0.06","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Au2 N8 O8 Zn -","- C8 H16 Au2 N8 O8 Zn -","- C8 H16 Au2 N8 O8 Zn -","1","0.5","","Geisheimer, Andrew R.; Huang, Wen; Pacradouni, Vighen; Sabok-Sayr, Seyed Ahmad; Sonier, Jeff E.; Leznoff, Daniel B.","Magnetic properties of isostructural M(H(2)O)(4)[Au(CN)(4)](2)-based coordination polymers (M = Mn, Co, Ni, Cu, Zn) by SQUID and μSR studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7505","7516","10.1039/c0dt01546f","","","0.71073","MoKα","","0.1122","0.045","","0.0963","0.0572","0.0555","","","","","","0.9132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015983","13.3686","0.0003","13.7657","0.0003","14.622","0.0004","111.492","0.002","115.794","0.002","90.107","0.0017","2212.12","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H44 Au F6 N3 P2 S -","- C46 H44 Au F6 N3 P2 S -","- C92 H88 Au2 F12 N6 P4 S2 -","2","1","","Chia, Eugene Y.; Naeem, Saira; Delaude, Lionel; White, Andrew J. P.; Wilton-Ely, James D E T","Gold(i) complexes bearing mixed-donor ligands derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6645","6658","10.1039/c0dt01613f","","","0.71073","MoKα","","0.0309","0.0213","","","0.037","0.0375","","","","","","0.922","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015984","10.9296","0.0002","13.9751","0.0003","17.0449","0.0003","105.276","0.0019","103.29","0.0018","101.594","0.0018","2347.48","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H62 Au F6 N3 P2 S -","- C46 H62 Au F6 N3 P2 S -","- C92 H124 Au2 F12 N6 P4 S2 -","2","1","","Chia, Eugene Y.; Naeem, Saira; Delaude, Lionel; White, Andrew J. P.; Wilton-Ely, James D E T","Gold(i) complexes bearing mixed-donor ligands derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6645","6658","10.1039/c0dt01613f","","","1.54184","CuKα","","0.0266","0.0242","","","0.0593","0.0602","","","","","","1.043","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015985","10.31542","0.00015","16.59529","0.00019","20.2361","0.0003","90","","102.451","0.0014","90","","3382.69","0.08","173","","173","","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C60 H60 Ag2 Au Cl2 F9 N6 O9 S5 -","- C60 H60 Ag2 Au Cl2 F9 N6 O9 S5 -","- C120 H120 Ag4 Au2 Cl4 F18 N12 O18 S10 -","2","0.5","","Chia, Eugene Y.; Naeem, Saira; Delaude, Lionel; White, Andrew J. P.; Wilton-Ely, James D E T","Gold(i) complexes bearing mixed-donor ligands derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6645","6658","10.1039/c0dt01613f","","","1.54184","CuKα","","0.0563","0.0524","","","0.1501","0.1531","","","","","","1.105","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015986","29.5088","0.0011","12.3701","0.0005","23.6337","0.0011","90","","90","","90","","8626.9","0.6","296.1","0.1","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H24 Fe2 N24 Ru -","- C42 H24 Fe2 N24 Ru -","- C336 H192 Fe16 N192 Ru8 -","8","0.5","","Sen, Rupam; Koner, Subratanath; Bhattacharjee, Ashis; Kusz, Joachim; Miyashita, Yoshitaro; Okamoto, Ken-Ichi","Entrapment of [Ru(bpy)(3)](2+) in the anionic metal-organic framework: Novel photoluminescence behavior exhibiting dual emission at room temperature.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6952","6960","10.1039/c0dt01647k","","","0.7107","MoKα","","","0.0251","","","","0.0629","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015987","12.4172","0.0007","29.0323","0.0012","23.869","0.008","90","","90","","90","","8605","3","100","1","100","1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H24 Mn2 N24 Ru -","- C42 H24 Mn2 N24 Ru -","- C336 H192 Mn16 N192 Ru8 -","8","0.5","","Sen, Rupam; Koner, Subratanath; Bhattacharjee, Ashis; Kusz, Joachim; Miyashita, Yoshitaro; Okamoto, Ken-Ichi","Entrapment of [Ru(bpy)(3)](2+) in the anionic metal-organic framework: Novel photoluminescence behavior exhibiting dual emission at room temperature.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6952","6960","10.1039/c0dt01647k","","","0.71073","MoKα","","0.0207","0.02","","","0.0525","0.0527","","","","","","1.072","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015988","10.8736","0.001","8.4288","0.0005","11.5942","0.001","90","","113.764","0.01","90","","972.53","0.15","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 Mn N3 O9 -","- C18 H17 Mn N3 O9 -","- C36 H34 Mn2 N6 O18 -","2","1","","Li, Wei; Barton, Phillip T.; Burwood, Ryan P.; Cheetham, Anthony K.","A 2D homochiral inorganic-organic framework exhibiting a spin-flop transition.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7147","7152","10.1039/c0dt01686a","","","0.71073","MoKα","","0.0407","0.0376","","","0.0973","0.0987","","","","","","1.025","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015989","10.8701","0.0009","8.4038","0.0005","11.3838","0.001","90","","112.816","0.01","90","","958.54","0.15","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N3 O9 Zn -","- C18 H17 N3 O9 Zn -","- C36 H34 N6 O18 Zn2 -","2","1","","Li, Wei; Barton, Phillip T.; Burwood, Ryan P.; Cheetham, Anthony K.","A 2D homochiral inorganic-organic framework exhibiting a spin-flop transition.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7147","7152","10.1039/c0dt01686a","","","0.71073","MoKα","","0.0411","0.038","","","0.1023","0.1033","","","","","","1.065","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015990","9.1602","0.0009","14.1871","0.0009","9.5929","0.001","90","","117.348","0.013","90","","1107.3","0.2","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H20 Ir N3 O2 -","- C28 H20 Ir N3 O2 -","- C56 H40 Ir2 N6 O4 -","2","1","","Baranoff, Etienne; Jung, Il; Scopelliti, Rosario; Solari, Euro; Grätzel, Michael; Nazeeruddin, Md Khaja","Room-temperature combinatorial screening of cyclometallated iridium(iii) complexes for a step towards molecular control of colour purity.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6860","6867","10.1039/c0dt01697g","","","0.71073","MoKα","","0.0348","0.03","","","0.0728","0.0739","","","","","","1.039","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015991","9.8685","0.0003","12.184","0.0003","18.1833","0.0005","82.031","0.002","74.703","0.002","82.763","0.002","2079.33","0.1","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 F10 Ir N8 P -","- C40 H42 F10 Ir N8 P -","- C80 H84 F20 Ir2 N16 P2 -","2","1","","Baranoff, Etienne; Jung, Il; Scopelliti, Rosario; Solari, Euro; Grätzel, Michael; Nazeeruddin, Md Khaja","Room-temperature combinatorial screening of cyclometallated iridium(iii) complexes for a step towards molecular control of colour purity.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6860","6867","10.1039/c0dt01697g","","","0.71073","MoKα","","0.0323","0.0279","","","0.0715","0.0727","","","","","","1.037","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015992","9.9283","0.0013","11.5891","0.001","14.914","0.003","88.213","0.01","78.226","0.013","64.844","0.009","1517.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Cl4 Ir N4 O2 -","- C30 H21 Cl4 Ir N4 O2 -","- C60 H42 Cl8 Ir2 N8 O4 -","2","1","","Baranoff, Etienne; Jung, Il; Scopelliti, Rosario; Solari, Euro; Grätzel, Michael; Nazeeruddin, Md Khaja","Room-temperature combinatorial screening of cyclometallated iridium(iii) complexes for a step towards molecular control of colour purity.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6860","6867","10.1039/c0dt01697g","","","0.71073","MoKα","","0.0298","0.0245","","","0.0508","0.0527","","","","","","1.123","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015993","10.9629","0.0003","11.1318","0.0003","12.1713","0.0003","90.525","0.002","91.673","0.002","102.779","0.002","1447.75","0.07","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H20 Cl4 Ir N3 O3 -","- C33 H20 Cl4 Ir N3 O3 -","- C66 H40 Cl8 Ir2 N6 O6 -","2","1","","Baranoff, Etienne; Jung, Il; Scopelliti, Rosario; Solari, Euro; Grätzel, Michael; Nazeeruddin, Md Khaja","Room-temperature combinatorial screening of cyclometallated iridium(iii) complexes for a step towards molecular control of colour purity.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6860","6867","10.1039/c0dt01697g","","","0.71073","MoKα","","0.0203","0.0186","","","0.0472","0.0477","","","","","","1.03","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015994","9.4762","0.0008","13.8917","0.0009","15.4205","0.0014","108.231","0.007","93.78","0.007","107.916","0.007","1804.8","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 F4 Ir N6 O3 -","- C35 H35 F4 Ir N6 O3 -","- C70 H70 F8 Ir2 N12 O6 -","2","1","","Baranoff, Etienne; Jung, Il; Scopelliti, Rosario; Solari, Euro; Grätzel, Michael; Nazeeruddin, Md Khaja","Room-temperature combinatorial screening of cyclometallated iridium(iii) complexes for a step towards molecular control of colour purity.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6860","6867","10.1039/c0dt01697g","","","0.71073","MoKα","","0.1127","0.0667","","","0.1024","0.1129","","","","","","0.938","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015995","9.753","0.005","12.791","0.006","15.288","0.006","73.78","0.03","85.69","0.04","69.36","0.03","1713.2","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H34 Cl2 F4 Ir N7 -","- C35 H34 Cl2 F4 Ir N7 -","- C70 H68 Cl4 F8 Ir2 N14 -","2","1","","Baranoff, Etienne; Jung, Il; Scopelliti, Rosario; Solari, Euro; Grätzel, Michael; Nazeeruddin, Md Khaja","Room-temperature combinatorial screening of cyclometallated iridium(iii) complexes for a step towards molecular control of colour purity.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6860","6867","10.1039/c0dt01697g","","","0.71073","MoKα","","0.1186","0.0879","","","0.207","0.2299","","","","","","1.149","","","","has coordinates,has disorder","179863","2020-10-21","18:00:00",""
"7015996","17.45","0.002","18.5594","0.0019","24.439","0.004","80.953","0.01","76.281","0.012","68.024","0.008","7109.7","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H54 F8 Ir2 N12 -","- C61 H54 F8 Ir2 N12 -","- C244 H216 F32 Ir8 N48 -","4","2","","Baranoff, Etienne; Jung, Il; Scopelliti, Rosario; Solari, Euro; Grätzel, Michael; Nazeeruddin, Md Khaja","Room-temperature combinatorial screening of cyclometallated iridium(iii) complexes for a step towards molecular control of colour purity.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6860","6867","10.1039/c0dt01697g","","","0.71073","MoKα","","0.0584","0.0395","","","0.0906","0.1","","","","","","1.07","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015997","16.069","0.003","15.616","0.003","18.099","0.004","90","","90","","90","","4541.6","1.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Mn N5 O7 -","- C22 H24 Mn N5 O7 -","- C176 H192 Mn8 N40 O56 -","8","1","","Bhowmik, Prasanta; Nayek, Hari Pada; Corbella, Montserrat; Aliaga-Alcalde, Núria; Chattopadhyay, Shouvik","Control of molecular architecture by steric factors: mononuclear vs polynuclear manganese(iii) compounds with tetradentate N(2)O(2) donor Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7916","7926","10.1039/c0dt01723j","","","0.71073","MoKα","","0.1024","0.0655","","","0.1478","0.1607","","","","","","0.899","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015998","18.76","","13.356","","6.616","","90","","90","","90","","1657.69","","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Mn N5 O2 -","- C20 H14 Mn N5 O2 -","- C80 H56 Mn4 N20 O8 -","4","1","","Bhowmik, Prasanta; Nayek, Hari Pada; Corbella, Montserrat; Aliaga-Alcalde, Núria; Chattopadhyay, Shouvik","Control of molecular architecture by steric factors: mononuclear vs polynuclear manganese(iii) compounds with tetradentate N(2)O(2) donor Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7916","7926","10.1039/c0dt01723j","","","0.71073","MoKα","","0.0801","0.0726","","","0.1904","0.1954","","","","","","0.987","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015999","11.143","0.0002","16.3594","0.0003","15.4001","0.0003","90","","108.417","0.001","90","","2663.54","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl Mn N3 O10 -","- C25 H27 Cl Mn N3 O10 -","- C100 H108 Cl4 Mn4 N12 O40 -","4","1","","Bhowmik, Prasanta; Nayek, Hari Pada; Corbella, Montserrat; Aliaga-Alcalde, Núria; Chattopadhyay, Shouvik","Control of molecular architecture by steric factors: mononuclear vs polynuclear manganese(iii) compounds with tetradentate N(2)O(2) donor Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7916","7926","10.1039/c0dt01723j","","","0.71073","MoKα","","0.074","0.0509","","","0.1478","0.1673","","","","","","1.037","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7016000","11.5038","0.0003","20.709","0.0006","17.4235","0.0005","90","","93.935","0.002","90","","4141.1","0.2","123","1","123","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((Fe((3,5-Me2pz)3CH))2(p-C6H4(CH2OCH2C(pz)3)2))(BF4)4(DME)2","[{Fe((3,5-Me2pz)3CH)}2(p-C6H4(CH2OCH2C(pz)3]2)](BF4)4(DME)2","","- C70 H94 B4 F16 Fe2 N24 O6 -","- C70 H94 B4 F16 Fe2 N24 O6 -","- C140 H188 B8 F32 Fe4 N48 O12 -","2","0.5","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.71073","MoKα","","0.1003","0.0735","","","0.1286","0.1407","","","","","","1.142","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016001","11.5446","0.0005","20.7555","0.0011","17.4704","0.0009","90","","93.932","0.002","90","","4176.3","0.4","173","1","173","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((Fe((3,5-Me2pz)3CH))2(p-C6H4(CH2OCH2C(pz)3)2))(BF4)4(DME)2","[{Fe((3,5-Me2pz)3CH)}2(p-C6H4(CH2OCH2C(pz)3]2)](BF4)4(DME)2","","- C70 H94 B4 F16 Fe2 N24 O6 -","- C70 H94 B4 F16 Fe2 N24 O6 -","- C140 H188 B8 F32 Fe4 N48 O12 -","2","0.5","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.71073","MoKα","","0.077","0.0535","","","0.1366","0.1539","","","","","","1.044","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016002","11.6011","0.001","20.802","0.002","17.4828","0.0017","90","","94.192","0.004","90","","4207.8","0.7","223","1","223","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((Fe((3,5-Me2pz)3CH))2(p-C6H4(CH2OCH2C(pz)3)2))(BF4)4(DME)2","[{Fe((3,5-Me2pz)3CH)}2(p-C6H4(CH2OCH2C(pz)3]2)](BF4)4(DME)2","","- C70 H94 B4 F16 Fe2 N24 O6 -","- C70 H94 B4 F16 Fe2 N24 O6 -","- C140 H188 B8 F32 Fe4 N48 O12 -","2","0.5","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.71073","MoKα","","0.1089","0.0667","","","0.1609","0.1842","","","","","","1.025","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016003","11.632","0.003","20.824","0.005","17.456","0.004","90","","94.407","0.013","90","","4215.8","1.8","273","1","273","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((Fe((3,5-Me2pz)3CH))2(p-C6H4(CH2OCH2C(pz)3)2))(BF4)4(DME)2","[{Fe((3,5-Me2pz)3CH)}2(p-C6H4(CH2OCH2C(pz)3]2)](BF4)4(DME)2","","- C70 H94 B4 F16 Fe2 N24 O6 -","- C70 H94 B4 F16 Fe2 N24 O6 -","- C140 H188 B8 F32 Fe4 N48 O12 -","2","0.5","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.71073","MoKα","","0.1472","0.0751","","","0.1795","0.2178","","","","","","1.029","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016004","13.451","0.003","14.795","0.003","15.885","0.003","116.03","0.03","104.63","0.03","94.23","0.03","2685.8","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","((Fe((3,5-Me2pz)3CH))2(p-C6H4(CH2OCH2C(pz)3)2))(BF4)4(MeCN)6","[{Fe((3,5-Me2pz)3CH)}2(p-C6H4(CH2OCH2C(pz)3]2)](BF4)4(MeCN)6","","- C74 H92 B4 F16 Fe2 N30 O2 -","- C74 H92 B4 F16 Fe2 N30 O2 -","- C74 H92 B4 F16 Fe2 N30 O2 -","1","0.5","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.71073","MoKα","","0.315","0.1583","","","0.3848","0.4585","","","","","","1.249","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016005","14.1238","0.0006","16.4661","0.0009","23.001","0.0012","69.346","0.003","82.768","0.003","70.093","0.003","4706.2","0.4","123","1","123","1","","","","","","","","7","P -1","-P 1","2","((Fe((3,5- Me2pz)3CH))2(C10H(CH2OCH2C(pz)3)2))(BF4)4(MeCN)2.5(DME)2","[{Fe((3,5-Me2pz)3CH)}2(C10H(CH2OCH2C(pz)3]2)](BF4)4(MeCN)2.5(DME)2","","- C79 H103.5 B4 F16 Fe2 N26.5 O6 -","- C79 H103.5 B4 F16 Fe2 N26.5 O6 -","- C158 H207 B8 F32 Fe4 N53 O12 -","2","1","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.71073","MoKα","","0.1097","0.074","","","0.2059","0.2365","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016006","11.1486","0.0007","21.404","0.0015","16.9246","0.001","90","","92.734","0.002","90","","4034","0.4","123","1","123","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((Fe((3,5-Me2pz)3CH))2(C2H2(CH2OCH2C(pz)3)2))(BF4)4(DME)2","[{Fe((3,5-Me2pz)3CH)}2(C2H2(CH2OCH2C(pz)3]2)](BF4)4(DME)2","","- C66 H92 B4 F16 Fe2 N24 O6 -","- C66 H92 B4 F16 Fe2 N24 O6 -","- C132 H184 B8 F32 Fe4 N48 O12 -","2","0.5","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.71073","MoKα","","0.0939","0.0752","","","0.1566","0.1641","","","","","","1.194","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016007","23.066","0.004","23.15","0.006","23.968","0.004","77.782","0.007","83.52","0.02","83.41","0.02","12374","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","((Fe((3,5-Me2pz)3CH))3(C6(CH3)3(CH2OCH2C(pz)3)3))(BF4)6","[{Fe((3,5-Me2pz)3CH)}3(C6(CH3)3(CH2OCH2C(pz)3]3)](BF4)6","","- C93 H117 B6 F24 Fe3 N36 O3.75 -","- C93 H114 B5 F20 Fe3 N36 O3.75 -","- C372 H456 B20 F80 Fe12 N144 O15 -","4","2","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.77489","Synchrotron","","0.2139","0.146","","","0.3421","0.3616","","","","","","1.751","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016008","23.163","0.008","23.362","0.008","24.048","0.006","77.637","0.016","83.25","0.03","83.232","0.016","12566","7","220","2","220","2","","","","","","","","7","P -1","-P 1","2","((Fe((3,5-Me2pz)3CH))3(C6(CH3)3(CH2OCH2C(pz)3)3))(BF4)6","[{Fe((3,5-Me2pz)3CH)}3(C6(CH3)3(CH2OCH2C(pz)3]3)](BF4)6","","- C93 H117 B6 F24 Fe3 N36 O3.75 -","- C93 H114 B5 F20 Fe3 N36 O3.75 -","- C372 H456 B20 F80 Fe12 N144 O15 -","4","2","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.71253","Synchrotron","","0.2052","0.133","","","0.3201","0.3421","","","","","","1.435","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016009","15.3526","0.0009","17.5492","0.0012","32.453","0.002","90","","99.077","0.002","90","","8634.2","0.9","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","((Fe((3,5- Me2pz)3CH))4(C6H2(CH2OCH2C(pz)3)4))(BF4)8(MeCN)4(CH3OC (CH3)3)2","[{Fe((3,5-Me2pz)3CH)}4(C6H2(CH2OCH2C(pz)3]4)](BF4)8(MeCN)4(CH3OC (CH3)3)2","","- C144 H190 B8 F32 Fe4 N56 O6 -","- C144 H190 B8 F32 Fe4 N56 O6 -","- C288 H380 B16 F64 Fe8 N112 O12 -","2","0.5","","Schneider, Caspar J.; Moubaraki, Boujemaa; Cashion, John D.; Turner, David R.; Leita, Benjamin A.; Batten, Stuart R.; Murray, Keith S.","Spin crossover in di-, tri- and tetranuclear, mixed-ligand tris(pyrazolyl)methane iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6939","6951","10.1039/c0dt01725f","","","0.71073","MoKα","","0.186","0.0979","","","0.2669","0.3275","","","","","","1.045","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016010","17.4863","0.0017","17.5038","0.0018","31.15","0.003","90","","99.52","0.002","90","","9403","1.6","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H42 B Cl3 Cu F4 N6 P -","- C49 H42 B Cl3 Cu F4 N6 P -","- C392 H336 B8 Cl24 Cu8 F32 N48 P8 -","8","1","","Gan, Xin; Chi, Shao-Ming; Mu, Wei-Hua; Yao, Jia-Can; Quan, Li; Li, Cong; Bian, Zhao-Yong; Chen, Yong; Fu, Wen-Fu","Cu(i) and Pb(ii) complexes containing new tris(7-naphthyridyl)methane derivatives: Synthesis, structures, spectroscopy and geometric conversion.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7365","7374","10.1039/c0dt01747g","","","0.71073","MoKα","","0.1415","0.0943","","","0.2175","0.2476","","","","","","1.094","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016011","14.956","0.015","19.102","0.019","16.461","0.017","90","","100.21","0.017","90","","4628","8","93","2","93","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46.23 H36.43 B Cl3.52 Cu F4 N6 O0.33 P -","- C46.227 H36.431 B Cl3.523 Cu F4 N6 O0.329 P -","- C184.908 H145.724 B4 Cl14.092 Cu4 F16 N24 O1.316 P4 -","4","1","","Gan, Xin; Chi, Shao-Ming; Mu, Wei-Hua; Yao, Jia-Can; Quan, Li; Li, Cong; Bian, Zhao-Yong; Chen, Yong; Fu, Wen-Fu","Cu(i) and Pb(ii) complexes containing new tris(7-naphthyridyl)methane derivatives: Synthesis, structures, spectroscopy and geometric conversion.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7365","7374","10.1039/c0dt01747g","","","0.71073","MoKα","","0.0965","0.0789","","","0.2138","0.2331","","","","","","1.127","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016012","9.8676","0.001","19.013","0.002","19.5","0.002","90","","93.953","0.002","90","","3649.7","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Cl3 N8 O7.5 Pb -","- C31 H28 Cl3 N8 O7.5 Pb -","- C124 H112 Cl12 N32 O30 Pb4 -","4","1","","Gan, Xin; Chi, Shao-Ming; Mu, Wei-Hua; Yao, Jia-Can; Quan, Li; Li, Cong; Bian, Zhao-Yong; Chen, Yong; Fu, Wen-Fu","Cu(i) and Pb(ii) complexes containing new tris(7-naphthyridyl)methane derivatives: Synthesis, structures, spectroscopy and geometric conversion.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7365","7374","10.1039/c0dt01747g","","","0.71073","MoKα","","0.1015","0.064","","","0.1387","0.1558","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016013","12.842","0.003","15.845","0.003","15.529","0.003","90","","90.22","0.03","90","","3159.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H34 Cl2 N16 O14 Pb2 -","- C52 H34 Cl1.98 N16 O14 Pb2 -","- C104 H68 Cl3.96 N32 O28 Pb4 -","2","0.5","","Gan, Xin; Chi, Shao-Ming; Mu, Wei-Hua; Yao, Jia-Can; Quan, Li; Li, Cong; Bian, Zhao-Yong; Chen, Yong; Fu, Wen-Fu","Cu(i) and Pb(ii) complexes containing new tris(7-naphthyridyl)methane derivatives: Synthesis, structures, spectroscopy and geometric conversion.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7365","7374","10.1039/c0dt01747g","","","0.71073","MoKα","","0.1018","0.0727","","","0.2193","0.2405","","","","","","1.089","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016014","14.215","0.004","11.089","0.003","18.409","0.005","90","","101.018","0.004","90","","2848.3","1.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cl3 N6 O -","- C31 H29 Cl3 N6 O -","- C124 H116 Cl12 N24 O4 -","4","1","","Gan, Xin; Chi, Shao-Ming; Mu, Wei-Hua; Yao, Jia-Can; Quan, Li; Li, Cong; Bian, Zhao-Yong; Chen, Yong; Fu, Wen-Fu","Cu(i) and Pb(ii) complexes containing new tris(7-naphthyridyl)methane derivatives: Synthesis, structures, spectroscopy and geometric conversion.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7365","7374","10.1039/c0dt01747g","","","0.7107","MoKα","","0.0654","0.0622","","","0.1455","0.1478","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016015","31.115","0.003","11.6709","0.0015","16.466","0.002","90","","119.257","0.002","90","","5216.7","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 Cl3 N6 -","- C28.001 H21.003 Cl2.999 N6 -","- C224.008 H168.024 Cl23.992 N48 -","8","1","","Gan, Xin; Chi, Shao-Ming; Mu, Wei-Hua; Yao, Jia-Can; Quan, Li; Li, Cong; Bian, Zhao-Yong; Chen, Yong; Fu, Wen-Fu","Cu(i) and Pb(ii) complexes containing new tris(7-naphthyridyl)methane derivatives: Synthesis, structures, spectroscopy and geometric conversion.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7365","7374","10.1039/c0dt01747g","","","0.71073","MoKα","","0.1466","0.0694","","","0.1541","0.2132","","","","","","1.011","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016016","26.972","0.003","36.793","0.004","40.869","0.006","90","","109.165","0.003","90","","38310","8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C352 H288 B16 F64 N80 Ni8 -","- C352 H288 B12 F48 N80 Ni8 -","- C1408 H1152 B48 F192 N320 Ni32 -","4","1","","Stephenson, Andrew; Ward, Michael D.","An octanuclear coordination cage with a 'cuneane' core-a topological isomer of a cubic cage.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7824","7826","10.1039/c0dt01767a","","","0.71073","MoKα","","0.2421","0.1559","","","0.369","0.4153","","","","","","1.251","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016017","35.541","0.008","8.54","0.002","16.126","0.004","90","","108.397","0.004","90","","4644.4","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N2 S -","- C28 H26 N2 S -","- C224 H208 N16 S8 -","8","1","","Jia, Ai-Quan; Wang, Jian-Qiang; Hu, Ping; Jin, Guo-Xin","Syntheses, reactions, and ethylene polymerization of titanium complexes with [N,N,S] ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7730","7736","10.1039/c0dt01800g","","","0.71073","MoKα","","0.1565","0.0497","","","0.0609","0.0794","","","","","","0.752","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016018","14.352","0.006","38.303","0.015","10.056","0.004","90","","107.106","0.006","90","","5283","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N2 S -","- C31 H32 N2 S -","- C248 H256 N16 S8 -","8","2","","Jia, Ai-Quan; Wang, Jian-Qiang; Hu, Ping; Jin, Guo-Xin","Syntheses, reactions, and ethylene polymerization of titanium complexes with [N,N,S] ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7730","7736","10.1039/c0dt01800g","","","0.71073","MoKα","","0.1767","0.0524","","","0.1046","0.131","","","","","","0.753","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016019","15.068","0.006","7.717","0.003","20.796","0.009","90","","99.169","0.006","90","","2387.3","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 S -","- C28 H28 N2 S -","- C112 H112 N8 S4 -","4","1","","Jia, Ai-Quan; Wang, Jian-Qiang; Hu, Ping; Jin, Guo-Xin","Syntheses, reactions, and ethylene polymerization of titanium complexes with [N,N,S] ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7730","7736","10.1039/c0dt01800g","","","0.71073","MoKα","","0.0914","0.0584","","","0.1569","0.174","","","","","","0.967","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016020","11.802","0.005","10.335","0.005","23.884","0.011","90","","103.704","0.007","90","","2830","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 Cl N2 S -","- C31 H35 Cl N2 S -","- C124 H140 Cl4 N8 S4 -","4","1","","Jia, Ai-Quan; Wang, Jian-Qiang; Hu, Ping; Jin, Guo-Xin","Syntheses, reactions, and ethylene polymerization of titanium complexes with [N,N,S] ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7730","7736","10.1039/c0dt01800g","","","0.71073","MoKα","","0.1496","0.064","","","0.1335","0.165","","","","","","0.872","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016021","21.69","0.001","15.102","0.001","22.707","0.001","90","0.01","98.684","0.01","90","0.01","7352.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cr Mn N8 O7 -","- C32 H28 Cr Mn N8 O7 -","- C256 H224 Cr8 Mn8 N64 O56 -","8","1","","Nastase, Silviu; Maxim, Catalin; Andruh, Marius; Cano, Joan; Ruiz-Pérez, Catalina; Faus, Juan; Lloret, Francesc; Julve, Miguel","New cyanide-bridged Mn(III)-M(III) heterometallic dinuclear complexes constructed from [M(III)(AA)(CN)4]- building blocks (M = Cr and Fe): synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4898","4908","10.1039/c0dt01815e","","x-ray","0.71073","Mokα","","0.0814","0.065","","","0.172","0.1822","","","","","","1.095","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016022","11.7336","0.0014","14.412","0.004","16.884","0.003","69.745","0.017","80.807","0.015","82.609","0.018","2635.9","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 Cl Cr Mn2 N10 O17 -","- C46 H50 Cl Cr Mn2 N10 O17 -","- C92 H100 Cl2 Cr2 Mn4 N20 O34 -","2","1","","Nastase, Silviu; Maxim, Catalin; Andruh, Marius; Cano, Joan; Ruiz-Pérez, Catalina; Faus, Juan; Lloret, Francesc; Julve, Miguel","New cyanide-bridged Mn(III)-M(III) heterometallic dinuclear complexes constructed from [M(III)(AA)(CN)4]- building blocks (M = Cr and Fe): synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4898","4908","10.1039/c0dt01815e","","x-ray","0.71073","Mokα","","0.1398","0.0606","","","0.1021","0.1256","","","","","","1.026","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016023","11.8545","0.0006","15.3334","0.0004","20.9626","0.001","90","","99.016","0.004","90","","3763.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Fe Mn N10 O8 -","- C34 H36 Fe Mn N10 O8 -","- C136 H144 Fe4 Mn4 N40 O32 -","4","1","","Nastase, Silviu; Maxim, Catalin; Andruh, Marius; Cano, Joan; Ruiz-Pérez, Catalina; Faus, Juan; Lloret, Francesc; Julve, Miguel","New cyanide-bridged Mn(III)-M(III) heterometallic dinuclear complexes constructed from [M(III)(AA)(CN)4]- building blocks (M = Cr and Fe): synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4898","4908","10.1039/c0dt01815e","","","0.71073","MoKα","","0.0841","0.0494","","","0.0811","0.0884","","","","","","1.014","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016024","12.938","0.005","15.996","0.006","22.585","0.008","90","","90","","90","","4674","3","193.1","","193.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Br2 N4 Ni O18 -","- C36 H48 Br2 N4 Ni O18 -","- C144 H192 Br8 N16 Ni4 O72 -","4","1","","Shibata, Teppei; Ito, Satoru; Doe, Matsumi; Tanaka, Rika; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori","Dynamic behaviour attributed to chiral carbohydrate substituents of N-heterocyclic carbene ligands in square planar nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6778","6784","10.1039/c0dt01833c","","","0.71073","MoKα","","","0.0594","","","","0.115","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016025","20.901","0.0006","23.3218","0.0008","23.7857","0.0007","90","","90","","90","","11594.3","0.6","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51.5 H60 Br2 N4 Ni O18 -","- C51.5 H60 Br2 N4 Ni O18 -","- C412 H480 Br16 N32 Ni8 O144 -","8","2","","Shibata, Teppei; Ito, Satoru; Doe, Matsumi; Tanaka, Rika; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori","Dynamic behaviour attributed to chiral carbohydrate substituents of N-heterocyclic carbene ligands in square planar nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6778","6784","10.1039/c0dt01833c","","","0.7107","MoK_a","","0.0524","0.0494","","","0.1167","0.1191","","","","","","1.131","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016026","9.7521","0.0002","9.9436","0.0002","10.8684","0.0003","111.07","0.001","99.023","0.001","94.053","0.001","962.01","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Fe N O2 -","- C22 H29 Fe N O2 -","- C44 H58 Fe2 N2 O4 -","2","1","","Voss, Tanja; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unusual carbamate-directed CH-activation at an annulated ferrocenophane framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6984","6991","10.1039/c0dt01839b","","","0.71073","MoKα","","0.0565","0.0491","","","0.1082","0.1158","","","","","","1.066","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016027","8.1066","0.0002","10.4457","0.0002","15.9844","0.0005","90","","99.924","0.001","90","","1333.29","0.06","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Fe N -","- C17 H21 Fe N -","- C68 H84 Fe4 N4 -","4","1","","Voss, Tanja; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unusual carbamate-directed CH-activation at an annulated ferrocenophane framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6984","6991","10.1039/c0dt01839b","","","0.71073","MoKα","","0.058","0.0378","","","0.0698","0.0765","","","","","","1.055","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016028","10.5831","0.0002","12.5351","0.0002","11.8169","0.0003","90","","91.632","0.001","90","","1567","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Fe N -","- C18 H23 Fe N -","- C72 H92 Fe4 N4 -","4","1","","Voss, Tanja; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unusual carbamate-directed CH-activation at an annulated ferrocenophane framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6984","6991","10.1039/c0dt01839b","","","0.71073","MoKα","","0.0577","0.0493","","","0.1109","0.1185","","","","","","0.969","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016029","8.6607","0.0001","20.8208","0.0004","11.7026","0.0002","90","","90.323","0.001","90","","2110.21","0.06","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Fe N O2 -","- C24 H31 Fe N O2 -","- C96 H124 Fe4 N4 O8 -","4","1","","Voss, Tanja; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unusual carbamate-directed CH-activation at an annulated ferrocenophane framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6984","6991","10.1039/c0dt01839b","","","0.71073","MoKα","","0.0565","0.0451","","","0.1018","0.1101","","","","","","1.04","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016030","17.2035","0.0004","65.6989","0.0016","7.8148","0.0002","90","","90","","90","","8832.7","0.4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H31 Fe N O4 -","- C24 H31 Fe N O4 -","- C384 H496 Fe16 N16 O64 -","16","1","","Voss, Tanja; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unusual carbamate-directed CH-activation at an annulated ferrocenophane framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6984","6991","10.1039/c0dt01839b","","","0.71073","MoKα","","0.0662","0.055","","","0.1294","0.1382","","","","","","1.062","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016031","22.166","0.003","13.5778","0.0011","29.333","0.004","90","","103.516","0.006","90","","8583.7","1.8","123","2","123","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C81 H116 N Na O10 Ta2 -","- C81 H116 N Na O10 Ta2 -","- C324 H464 N4 Na4 O40 Ta8 -","4","1","","Watanabe, Takahito; Kurogi, Takashi; Ishida, Yutaka; Kawaguchi, Hiroyuki","Insertion and reduction chemistry of isocyanide with a cyclometalated ditantalum hydride complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7701","7703","10.1039/c1dt10040h","","","0.71075","MoKα","","0.0389","0.035","","","0.1037","0.1077","","","","","","1.089","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016032","15.8296","0.0018","16.0469","0.0018","23.802","0.003","95.3351","0.0008","103.763","0.0008","112.452","0.0015","5312.3","1.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H151 N Na O16 Ta2 -","- C101 H126 N Na O16 Ta2 -","- C202 H252 N2 Na2 O32 Ta4 -","2","1","","Watanabe, Takahito; Kurogi, Takashi; Ishida, Yutaka; Kawaguchi, Hiroyuki","Insertion and reduction chemistry of isocyanide with a cyclometalated ditantalum hydride complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7701","7703","10.1039/c1dt10040h","","","0.71075","MoKα","","0.0632","0.0507","","","0.1254","0.1366","","","","","","1.081","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016033","16.441","0.005","17.51","0.005","17.751","0.005","99.987","0.0015","95.32","0.003","109.979","0.003","4666","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H146 K N3 O7 Ta2 -","- C97 H146 K N3 O7 Ta2 -","- C194 H292 K2 N6 O14 Ta4 -","2","1","","Watanabe, Takahito; Kurogi, Takashi; Ishida, Yutaka; Kawaguchi, Hiroyuki","Insertion and reduction chemistry of isocyanide with a cyclometalated ditantalum hydride complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7701","7703","10.1039/c1dt10040h","","","0.7107","MoKα","","0.0683","0.0508","","","0.077","0.0816","","","","","","1.106","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016034","23.856","0.005","13.807","0.003","16.621","0.003","90","","117.68","0.03","90","","4848","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Cl2 N2 O Ti -","- C25 H24 Cl2 N2 O Ti -","- C200 H192 Cl16 N16 O8 Ti8 -","8","1","","Huang, Wei; Sun, Wen-Hua; Redshaw, Carl","2-(1-(Arylimino)propyl)quinolin-8-olate half-titanocene dichlorides: Synthesis, characterization and ethylene (co-)polymerization behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6802","6809","10.1039/c1dt10068h","","","0.71073","MoKα","","0.1041","0.0864","","","0.2151","0.2254","","","","","","1.13","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016035","16.977","0.003","8.1964","0.0016","18.518","0.004","90","","101.63","0.03","90","","2523.9","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl2 N2 O Ti -","- C28 H29 Cl2 N2 O Ti -","- C112 H116 Cl8 N8 O4 Ti4 -","4","1","","Huang, Wei; Sun, Wen-Hua; Redshaw, Carl","2-(1-(Arylimino)propyl)quinolin-8-olate half-titanocene dichlorides: Synthesis, characterization and ethylene (co-)polymerization behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6802","6809","10.1039/c1dt10068h","","","0.71073","MoKα","","","0.0622","","","0.1619","0.1763","","","","","","1.255","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7016036","15.827","0.002","17.404","0.003","15.344","0.002","90","","109.473","0.003","90","","3984.8","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H25 F2 N7 O4 Ru S2 -","- C32 H25 F2 N7 O4 Ru S2 -","- C128 H100 F8 N28 O16 Ru4 S8 -","4","1","","Chen, Huei-Siou; Chang, Wei-Chun; Su, Chaochin; Li, Ting-Yu; Hsu, Nai-Mu; Tingare, Yogesh S.; Li, Chung-Yen; Shie, Jun-Han; Li, Wen-Ren","Carbene-based ruthenium photosensitizers.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6765","6770","10.1039/c1dt10072f","","","0.71073","MoKα","","0.0535","0.0402","","","0.082","0.0861","","","","","","0.995","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016037","11.828","0.0012","17.4871","0.0018","21.696","0.002","90","","90","","90","","4487.5","0.8","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H76 K2 N10 Si4 -","- C30 H76 K2 N10 Si4 -","- C120 H304 K8 N40 Si16 -","4","0.5","","Buffet, Jean-Charles; Okuda, Jun","Scandium alkyl and amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure and ring-opening polymerization activity toward lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7748","7754","10.1039/c1dt10075k","","","0.71073","MoKα","","0.0634","0.039","","","0.0921","0.1175","","","","","","1.005","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016038","8.7601","0.0009","9.386","0.001","19.453","0.002","77.709","0.002","80.553","0.002","65.658","0.002","1418.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H48 N6 Sc Si4 -","- C18 H48 N6 Sc Si4 -","- C36 H96 N12 Sc2 Si8 -","2","1","","Buffet, Jean-Charles; Okuda, Jun","Scandium alkyl and amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure and ring-opening polymerization activity toward lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7748","7754","10.1039/c1dt10075k","","","0.71073","MoKα","","0.0747","0.0474","","","0.0926","0.1035","","","","","","0.84","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016039","30.938","0.002","8.685","0.003","19.4606","0.001","90","","90","","90","","5229","1.9","130","2","130","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H45 N6 Sc Si3 -","- C17 H45 N6 Sc Si3 -","- C136 H360 N48 Sc8 Si24 -","8","0.5","","Buffet, Jean-Charles; Okuda, Jun","Scandium alkyl and amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure and ring-opening polymerization activity toward lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7748","7754","10.1039/c1dt10075k","","","0.71073","MoKα","","0.0589","0.0418","","","0.0767","0.0828","","","","","","0.881","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016040","9.8036","0.0006","29.4693","0.0017","10.6418","0.0006","90","","113.649","0.001","90","","2816.3","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 N4 Sc Si2 -","- C22 H50 N4 Sc Si2 -","- C88 H200 N16 Sc4 Si8 -","4","1","","Buffet, Jean-Charles; Okuda, Jun","Scandium alkyl and amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure and ring-opening polymerization activity toward lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7748","7754","10.1039/c1dt10075k","","","0.71073","MoKα","","0.0522","0.0386","","","0.0875","0.0922","","","","","","0.964","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016041","33.12","0.002","18.346","0.0011","41","0.003","90","","111.62","0.002","90","","23160","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C192 H368 N32 O24 P8 Sm4 -","- C192 H304 N32 O24 P8 Sm4 -","- C768 H1216 N128 O96 P32 Sm16 -","4","0.5","","Du, Zhu; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis and molecular structure of piperazidine-bridged bis(phenolate) samarium(ii) complex and its reactivity to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7639","7644","10.1039/c1dt10081e","","","0.71075","MoKα","","0.1525","0.0982","","","0.1745","0.2048","","","","","","1.131","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016042","14.0159","0.0007","19.948","0.001","28.276","0.0016","90","","102.694","0.002","90","","7712.4","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H116 N8 O5 Sm2 -","- C74 H108 N8 O5 Sm2 -","- C296 H432 N32 O20 Sm8 -","4","1","","Du, Zhu; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis and molecular structure of piperazidine-bridged bis(phenolate) samarium(ii) complex and its reactivity to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7639","7644","10.1039/c1dt10081e","","","0.71075","MoKα","","0.0768","0.0599","","","0.125","0.1332","","","","","","1.144","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016043","14.8914","0.0016","14.8306","0.0015","41.133","0.005","90","","96.82","0.003","90","","9019.9","1.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H146 N6 O9.5 Sm2 -","- C91 H102 N6 O9.5 Sm2 -","- C364 H408 N24 O38 Sm8 -","4","1","","Du, Zhu; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis and molecular structure of piperazidine-bridged bis(phenolate) samarium(ii) complex and its reactivity to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7639","7644","10.1039/c1dt10081e","","","0.71075","MoKα","","0.1394","0.1039","","","0.2115","0.232","","","","","","1.136","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016044","22.092","0.003","22.092","0.003","10.887","0.002","90","","90","","90","","5313.5","1.4","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 H10 Fe Se2 -","- C12 H10 Fe Se2 -","- C192 H160 Fe16 Se32 -","16","1","","Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T.","Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes).","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7022","7032","10.1039/c1dt10089k","","","0.8","synchrotron","","0.0675","0.0383","","","0.0621","0.0689","","","","","","1.009","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016045","15.71","0.002","15.71","0.002","7.0097","0.0014","90","","90","","90","","1730","0.5","190","2","190","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C18 H22 Fe Se2 -","- C18 H22 Fe Se2 -","- C72 H88 Fe4 Se8 -","4","0.25","","Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T.","Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes).","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7022","7032","10.1039/c1dt10089k","","","0.71073","MoKα","","0.0345","0.032","","","0.0887","0.0906","","","","","","1.064","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016046","14.849","0.003","11.434","0.002","20.168","0.004","90","","94.3","0.03","90","","3414.6","1.1","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe N4 O Se2 -","- C40 H34 Fe N4 O Se2 -","- C160 H136 Fe4 N16 O4 Se8 -","4","1","","Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T.","Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes).","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7022","7032","10.1039/c1dt10089k","","","0.71073","MoKα","","0.0392","0.0325","","","0.0824","0.0854","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016047","13.29","0.003","13.461","0.003","16.475","0.003","88.85","0.03","77.74","0.03","89.44","0.03","2879.5","1.1","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H51 Fe2 N7 O Se4 -","- C63 H51 Fe2 N7 O Se4 -","- C126 H102 Fe4 N14 O2 Se8 -","2","1","","Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T.","Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes).","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7022","7032","10.1039/c1dt10089k","","","0.71073","MoKα","","0.059","0.0474","","","0.1471","0.1558","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016048","25.696","0.004","25.696","0.004","26.818","0.005","90","","90","","90","","17708","5","149","2","149","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C44.5 H119 Ge9 Li Mo N4 O3 Si12 -","- C44.5 H119 Ge9 Li Mo N4 O3 Si12 -","- C356 H952 Ge72 Li8 Mo8 N32 O24 Si96 -","8","1","","Henke, Florian; Schenk, Christian; Schnepf, Andreas","[Si(SiMe(3))(3)](3)Ge(9)M(CO)(3)(-) (M = Cr, Mo, W): Coordination Chemistry with metalloid Clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6704","6710","10.1039/c1dt10096c","","","0.71073","MoKα","","0.1695","0.0677","","","0.1029","0.1309","","","","","","0.801","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016049","15.7684","0.0008","16.7824","0.001","32.886","0.002","90","","90.823","0.008","90","","8701.8","0.9","199","2","199","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H117 Ge9 Li Mo O6 Si12 -","- C47 H117 Ge9 Li Mo O6 Si12 -","- C188 H468 Ge36 Li4 Mo4 O24 Si48 -","4","1","","Henke, Florian; Schenk, Christian; Schnepf, Andreas","[Si(SiMe(3))(3)](3)Ge(9)M(CO)(3)(-) (M = Cr, Mo, W): Coordination Chemistry with metalloid Clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6704","6710","10.1039/c1dt10096c","","","0.71073","MoKα","","0.0784","0.0371","","","0.074","0.0839","","","","","","0.866","","","","has coordinates,has disorder","288468","2023-12-21","09:14:45",""
"7016050","25.736","0.004","25.736","0.004","26.755","0.005","90","","90","","90","","17721","5","149","2","149","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C44.5 H119 Ge9 Li N4 O3 Si12 W -","- C44.5 H119 Ge9 Li N4 O3 Si12 W -","- C356 H952 Ge72 Li8 N32 O24 Si96 W8 -","8","1","","Henke, Florian; Schenk, Christian; Schnepf, Andreas","[Si(SiMe(3))(3)](3)Ge(9)M(CO)(3)(-) (M = Cr, Mo, W): Coordination Chemistry with metalloid Clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6704","6710","10.1039/c1dt10096c","","","0.71073","MoKα","","0.0854","0.0491","","","0.0694","0.0776","","","","","","0.906","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016051","25.726","0.004","25.726","0.004","26.657","0.005","90","","90","","90","","17642","5","149","2","149","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C44.5 H119 Cr Ge9 Li N4 O3 Si12 -","- C44.5 H119 Cr Ge9 Li N4 O3 Si12 -","- C356 H952 Cr8 Ge72 Li8 N32 O24 Si96 -","8","1","","Henke, Florian; Schenk, Christian; Schnepf, Andreas","[Si(SiMe(3))(3)](3)Ge(9)M(CO)(3)(-) (M = Cr, Mo, W): Coordination Chemistry with metalloid Clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6704","6710","10.1039/c1dt10096c","","","0.71073","MoKα","","0.2243","0.0659","","","0.0875","0.1274","","","","","","0.759","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016052","11.4555","0.0012","16.826","0.0018","18.987","0.002","90","","99.752","0.002","90","","3606.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 N2 O Si2 Y -","- C33 H53 N2 O Si2 Y -","- C132 H212 N8 O4 Si8 Y4 -","4","1","","Liu, Dongtao; Cui, Dongmei","Highly trans-1,4 selective (co-)polymerization of butadiene and isoprene with quinolyl anilido rare earth metal bis(alkyl) precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7755","7761","10.1039/c1dt10100e","","","0.71073","MoKα","","0.1159","0.0686","","","0.1655","0.1898","","","","","","1.033","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016053","11.389","0.0005","16.798","0.0008","18.884","0.0009","90","","99.752","0.001","90","","3560.5","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 Lu N2 O Si2 -","- C33 H53 Lu N2 O Si2 -","- C132 H212 Lu4 N8 O4 Si8 -","4","1","","Liu, Dongtao; Cui, Dongmei","Highly trans-1,4 selective (co-)polymerization of butadiene and isoprene with quinolyl anilido rare earth metal bis(alkyl) precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7755","7761","10.1039/c1dt10100e","","","0.71073","MoKα","","0.0547","0.0356","","","0.077","0.0852","","","","","","1.008","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016054","9.7731","0.0005","17.2591","0.0009","20.0423","0.001","90","","90.209","0.001","90","","3380.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H49 Lu N2 O Si2 -","- C31 H49 Lu N2 O Si2 -","- C124 H196 Lu4 N8 O4 Si8 -","4","1","","Liu, Dongtao; Cui, Dongmei","Highly trans-1,4 selective (co-)polymerization of butadiene and isoprene with quinolyl anilido rare earth metal bis(alkyl) precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7755","7761","10.1039/c1dt10100e","","","0.71073","MoKα","","0.081","0.0666","","","0.1738","0.1865","","","","","","1.04","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016055","11.0181","0.0006","11.6008","0.0007","18.1909","0.001","89.259","0.001","89.783","0.001","84.431","0.001","2314","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H65 N4 Nd O Si -","- C50 H65 N4 Nd O Si -","- C100 H130 N8 Nd2 O2 Si2 -","2","1","","Liu, Dongtao; Cui, Dongmei","Highly trans-1,4 selective (co-)polymerization of butadiene and isoprene with quinolyl anilido rare earth metal bis(alkyl) precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7755","7761","10.1039/c1dt10100e","","","0.71073","MoKα","","0.0482","0.0385","","","0.0854","0.0901","","","","","","1.046","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016056","10.231","0.001","11.168","0.001","13.729","0.001","72.34","0.002","75.249","0.002","80.614","0.002","1439.2","0.2","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C55 H45 B F24 N2 O3 Pd -","- C55 H45 B F24 N2 O3 Pd -","- C55 H45 B F24 N2 O3 Pd -","1","1","","Carfagna, Carla; Gatti, Giuseppe; Mosca, Luca; Natanti, Paolo; Paoli, Paola; Rossi, Patrizia; Gabriele, Bartolo; Salerno, Giuseppe","Carbonylation of styrenes catalyzed by bioxazoline Pd(ii) complexes: mechanism of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6792","6801","10.1039/c1dt10101c","","","1.54184","CuKα","","0.0735","0.0734","","","0.1911","0.1912","","","","","","1.034","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016057","10.193","0.001","11.051","0.001","13.743","0.001","72.314","0.003","78.093","0.003","81.707","0.003","1437.6","0.2","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C55 H45 B F24 N2 O3 Pd -","- C55 H37 B F24 N2 O3 Pd -","- C55 H37 B F24 N2 O3 Pd -","1","1","","Carfagna, Carla; Gatti, Giuseppe; Mosca, Luca; Natanti, Paolo; Paoli, Paola; Rossi, Patrizia; Gabriele, Bartolo; Salerno, Giuseppe","Carbonylation of styrenes catalyzed by bioxazoline Pd(ii) complexes: mechanism of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6792","6801","10.1039/c1dt10101c","","","1.54184","CuKα","","0.0863","0.0829","","","0.2122","0.2172","","","","","","1.041","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016058","4.9264","0.0003","7.4097","0.0004","12.3868","0.0007","76.344","0.004","88.234","0.004","79.904","0.003","432.55","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis((2-methylseleno)phenylmethylene)-1,2-ethanediamine","N,N'-bis[(2-methylseleno)phenylmethylene]-1,2-ethanediamine","","- C18 H20 N2 Se2 -","- C18 H20 N2 Se2 -","- C18 H20 N2 Se2 -","1","0.5","","Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Synthesis, characterization and coordination properties of bis(alkyl)selenosalen ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6684","6690","10.1039/c1dt10114e","","","0.71073","MoKα","","0.0379","0.0331","","","0.0891","0.0953","","","","","","0.658","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016059","4.8148","0.0002","7.2403","0.0002","24.6213","0.0008","96.012","0.002","91.398","0.002","98.086","0.002","844.44","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis((2-decylseleno)phenylmethylene)-1,2-ethanediamine","N,N'-bis[(2-decylseleno)phenylmethylene]-1,2-ethanediamine","","- C36 H56 N2 Se2 -","- C36 H56 N2 Se2 -","- C36 H56 N2 Se2 -","1","0.5","","Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Synthesis, characterization and coordination properties of bis(alkyl)selenosalen ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6684","6690","10.1039/c1dt10114e","","","0.71073","MoKα","","0.0313","0.0285","","","0.0881","0.0959","","","","","","0.815","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016060","14.6757","0.0005","8.3057","0.0003","17.3588","0.0006","90","","97.908","0.002","90","","2095.78","0.13","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F6 N2 P Pt Se2 -","- C17 H17 F6 N2 P Pt Se2 -","- C68 H68 F24 N8 P4 Pt4 Se8 -","4","1","","Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Synthesis, characterization and coordination properties of bis(alkyl)selenosalen ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6684","6690","10.1039/c1dt10114e","","","0.71073","MoKα","","0.0384","0.025","","","0.0794","0.0947","","","","","","0.725","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016061","18.861","0.004","23.944","0.006","18.076","0.004","90","","90","","90","","8163","3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 F12 N5 Ti -","- C40 H43 F12 N5 Ti -","- C320 H344 F96 N40 Ti8 -","8","1","","Swartz Ii, Douglas L.; Staples, Richard J.; Odom, Aaron L.","Synthesis and hydroamination catalysis with 3-aryl substituted pyrrolyl and dipyrrolylmethane titanium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7762","7768","10.1039/c1dt10127g","","x-ray","0.71073","MoKα","","0.1911","0.0922","","","0.2256","0.3095","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016062","20.158","0.0003","20.8436","0.0003","13.8566","0.0002","90","","107.638","0.001","90","","5548.37","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 F11 N4 Ti -","- C24 H23 F11 N4 Ti -","- C192 H184 F88 N32 Ti8 -","8","2","","Swartz Ii, Douglas L.; Staples, Richard J.; Odom, Aaron L.","Synthesis and hydroamination catalysis with 3-aryl substituted pyrrolyl and dipyrrolylmethane titanium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7762","7768","10.1039/c1dt10127g","","x-ray","0.71073","MoKα","","0.1179","0.0649","","","0.1793","0.2234","","","","","","1.084","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016063","15.809","0.003","17.337","0.003","14.513","0.003","90","","96.545","0.003","90","","3951.8","1.3","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H46.5 F12 N7 Ti -","- C34.49 H46.47 F12 N7 Ti -","- C137.96 H185.88 F48 N28 Ti4 -","4","1","","Swartz Ii, Douglas L.; Staples, Richard J.; Odom, Aaron L.","Synthesis and hydroamination catalysis with 3-aryl substituted pyrrolyl and dipyrrolylmethane titanium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7762","7768","10.1039/c1dt10127g","","","0.71073","MoKα","","0.122","0.079","","","0.2293","0.2671","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016064","13.2599","0.0004","17.5475","0.0006","17.0737","0.0006","90","","92.942","0.002","90","","3967.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H69 N Zr -","- C45 H69 N Zr -","- C180 H276 N4 Zr4 -","4","1","","Pun, Doris; Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J.","Cyclisation of α,ω-dienes promoted by bis(indenyl)zirconium sandwich and ansa-titanocene dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7737","7747","10.1039/c1dt10149h","","","0.71073","MoKα","","0.0612","0.0414","","","0.0942","0.1024","","","","","","1.073","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016065","17.6335","0.0008","9.8554","0.0006","17.9416","0.0011","90","","115.665","0.003","90","","2810.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 N Si Ti -","- C30 H49 N Si Ti -","- C120 H196 N4 Si4 Ti4 -","4","1","","Pun, Doris; Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J.","Cyclisation of α,ω-dienes promoted by bis(indenyl)zirconium sandwich and ansa-titanocene dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7737","7747","10.1039/c1dt10149h","","","0.71073","MoKα","","0.0722","0.0457","","","0.1033","0.117","","","","","","1.019","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016066","7.5399","0.0002","25.5298","0.0008","11.9645","0.0004","90","","90","","90","","2303.07","0.12","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C24 H16 Co N4 O9 -","- C24 H16 Co N4 O9 -","- C96 H64 Co4 N16 O36 -","4","0.5","","Zhang, Jian-Yong; Ma, Yu; Cheng, Ai-Ling; Yue, Qi; Sun, Qian; Gao, En-Qing","Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7219","7227","10.1039/c1dt10158g","","","0.71073","MoKα","","0.0415","0.038","","","0.0985","0.1032","","","","","","1.016","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016067","7.818","0.003","25.901","0.011","11.164","0.005","90","","90","","90","","2260.6","1.6","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H14 Co N4 O8 -","- C26 H14 Co N4 O8 -","- C104 H56 Co4 N16 O32 -","4","0.5","","Zhang, Jian-Yong; Ma, Yu; Cheng, Ai-Ling; Yue, Qi; Sun, Qian; Gao, En-Qing","Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7219","7227","10.1039/c1dt10158g","","","0.71073","MoKα","","0.068","0.0473","","","0.1289","0.1392","","","","","","1.038","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016068","7.7887","0.0002","25.7842","0.0007","11.1256","0.0003","90","","90","","90","","2234.3","0.1","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H14 N4 Ni O8 -","- C26 H14 N4 Ni O8 -","- C104 H56 N16 Ni4 O32 -","4","0.5","","Zhang, Jian-Yong; Ma, Yu; Cheng, Ai-Ling; Yue, Qi; Sun, Qian; Gao, En-Qing","Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7219","7227","10.1039/c1dt10158g","","","0.71073","MoKα","","0.0619","0.0435","","","0.107","0.1203","","","","","","1.015","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016069","7.781","0.0002","25.9579","0.0006","11.1745","0.0002","90","","90","","90","","2257.01","0.09","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H14 N4 O8 Zn -","- C26 H14 N4 O8 Zn -","- C104 H56 N16 O32 Zn4 -","4","0.5","","Zhang, Jian-Yong; Ma, Yu; Cheng, Ai-Ling; Yue, Qi; Sun, Qian; Gao, En-Qing","Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7219","7227","10.1039/c1dt10158g","","","0.71073","MoKα","","0.0439","0.0392","","","0.1043","0.1098","","","","","","1.022","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016070","9.0233","0.0003","29.1407","0.0009","11.0744","0.0003","90","","91.83","0.001","90","","2910.48","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Co N4 O10 -","- C32 H22 Co N4 O10 -","- C128 H88 Co4 N16 O40 -","4","1","","Zhang, Jian-Yong; Ma, Yu; Cheng, Ai-Ling; Yue, Qi; Sun, Qian; Gao, En-Qing","Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7219","7227","10.1039/c1dt10158g","","","0.71073","MoKα","","0.0634","0.0505","","","0.14","0.1512","","","","","","1.061","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016071","12.638","0.003","12.773","0.003","20.309","0.004","83.61","0.03","76.11","0.03","79.62","0.03","3122.5","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H86 Mo6 N4 O20 -","- C46 H86 Mo6 N4 O20 -","- C92 H172 Mo12 N8 O40 -","2","1","","Zhu, Yi; Xiao, Zicheng; Wang, Longsheng; Yin, Panchao; Hao, Jian; Wei, Yongge; Wang, Yuan","Monosubstituted arylimido hexamolybdates containing pendant amino groups: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7304","7309","10.1039/c1dt10168d","","","0.71073","MoKα","","0.0763","0.0505","","","0.1336","0.1497","","","","","","1.02","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016072","16.867","0.003","17.653","0.004","21.675","0.004","90","","90.34","0.03","90","","6454","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H89 Mo6 N5 O18 -","- C48 H89 Mo6 N5 O18 -","- C192 H356 Mo24 N20 O72 -","4","1","","Zhu, Yi; Xiao, Zicheng; Wang, Longsheng; Yin, Panchao; Hao, Jian; Wei, Yongge; Wang, Yuan","Monosubstituted arylimido hexamolybdates containing pendant amino groups: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7304","7309","10.1039/c1dt10168d","","","0.71073","MoKα","","0.1032","0.0765","","","0.1668","0.1809","","","","","","1.207","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016073","11.8737","0.0002","16.2685","0.0003","19.3354","0.0004","90","","93.564","0.001","90","","3727.74","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H62 B2 Mg N4 -","- C37 H62 B2 Mg N4 -","- C148 H248 B8 Mg4 N16 -","4","1","","Hill, Michael S.; Hodgson, Marina; Liptrot, David J.; Mahon, Mary F.","Stoichiometric reactivity of dialkylamine boranes with alkaline earth silylamides.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7783","7790","10.1039/c1dt10171d","","","0.71073","MoKα","","0.0981","0.0614","","","0.1337","0.1547","","","","","","1.071","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016074","16.784","0.0003","16.837","0.0003","26.359","0.0004","90","","90","","90","","7448.8","0.2","150","2","150","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C37 H60 B Ca N3 O -","- C37 H60 B Ca N3 O -","- C296 H480 B8 Ca8 N24 O8 -","8","1","","Hill, Michael S.; Hodgson, Marina; Liptrot, David J.; Mahon, Mary F.","Stoichiometric reactivity of dialkylamine boranes with alkaline earth silylamides.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7783","7790","10.1039/c1dt10171d","","","0.71073","MoKα","","0.1486","0.0793","","","0.1921","0.2466","","","","","","1.019","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016075","12.4183","0.0003","17.638","0.0003","12.9846","0.0003","90","","107.3","0.002","90","","2715.41","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H43 F4 Ir N O P2 -","- C23 H43 F4 Ir N O P2 -","- C92 H172 F16 Ir4 N4 O4 P8 -","4","1","","Kläring, Paul; Pahl, Stefanie; Braun, Thomas; Penner, Anna","Facile oxidative addition of water at iridium: reactivity of trans-[Ir(4-C(5)NF(4))(H)(OH)(PiPr(3))(2)] towards CO(2) and NH(3).","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6785","6791","10.1039/c1dt10173k","","","0.71073","MoKα","","0.0298","0.0244","","","0.0573","0.0583","","","","","","0.945","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016076","9.6289","0.0002","16.0526","0.0002","36.1516","0.0006","90","","92.045","0.001","90","","5584.35","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 F4 Ir N O P2 -","- C24 H42 F4 Ir N O P2 -","- C192 H336 F32 Ir8 N8 O8 P16 -","8","2","","Kläring, Paul; Pahl, Stefanie; Braun, Thomas; Penner, Anna","Facile oxidative addition of water at iridium: reactivity of trans-[Ir(4-C(5)NF(4))(H)(OH)(PiPr(3))(2)] towards CO(2) and NH(3).","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6785","6791","10.1039/c1dt10173k","","","0.71073","MoKα","","0.0474","0.0311","","","0.0715","0.0744","","","","","","0.867","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016077","13.0103","0.0008","13.5035","0.0007","14.5047","0.0007","103.313","0.004","107.097","0.004","108.962","0.004","2148.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H62 F4 Ir N O3 P2 -","- C42 H62 F4 Ir N O3 P2 -","- C84 H124 F8 Ir2 N2 O6 P4 -","2","1","","Kläring, Paul; Pahl, Stefanie; Braun, Thomas; Penner, Anna","Facile oxidative addition of water at iridium: reactivity of trans-[Ir(4-C(5)NF(4))(H)(OH)(PiPr(3))(2)] towards CO(2) and NH(3).","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6785","6791","10.1039/c1dt10173k","","","0.71073","MoKα","","0.0545","0.0471","","","0.1037","0.1137","","","","","","1.103","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016078","15.4793","0.0003","29.98","0.0006","17.1589","0.0003","90","","115.911","0.001","90","","7162.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C131 H216 F16 Ir4 N4 O12 P8 -","- C131 H216 F16 Ir4 N4 O12 P8 -","- C262 H432 F32 Ir8 N8 O24 P16 -","2","0.5","","Kläring, Paul; Pahl, Stefanie; Braun, Thomas; Penner, Anna","Facile oxidative addition of water at iridium: reactivity of trans-[Ir(4-C(5)NF(4))(H)(OH)(PiPr(3))(2)] towards CO(2) and NH(3).","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6785","6791","10.1039/c1dt10173k","","","0.71073","MoKα","","0.0489","0.0416","","","0.0927","0.096","","","","","","1.079","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016079","9.3964","0.0006","7.743","0.0005","12.5316","0.0007","90","","104.757","0.001","90","","881.68","0.09","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","(Ethoxy-(benzo(b)thien-2-yl)-methylidene)-(pentacarbonyl)- tungsten","(Ethoxy-(benzo[b]thien-2-yl)-methylidene)-(pentacarbonyl)-tungsten","","- C16 H10 O6 S W -","- C16 H10 O6 S W -","- C32 H20 O12 S2 W2 -","2","0.5","","Bezuidenhout, Daniela I.; Barnard, Werner; van der Westhuizen, Belinda; van der Watt, Elisia; Liles, David C.","Multimetal Fischer carbene complexes of Group VI transition metals: synthesis, structure and substituent effect investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6711","6721","10.1039/c1dt10183h","","","0.71073","MoKα","","0.0244","0.0237","","","0.0618","0.063","","","","","","1.083","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016080","11.3533","0.0006","11.6696","0.0006","12.3627","0.0007","66.392","0.001","88.689","0.001","66.317","0.001","1355.73","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","((Chloro-bis(eta$5!-pentadienyl)-titanium-oxy)-(benzo(b)thien- 2-yl)-methylidene) -(pentacarbonyl)-tungsten dichloromethane solvate","((Chloro-bis(η^5^-pentadienyl)-titanium-oxy)-(benzo[b]thien-2-yl)-methylidene) -(pentacarbonyl)-tungsten dichloromethane solvate","","- C25 H17 Cl3 O6 S Ti W -","- C25 H17 Cl3 O6 S Ti W -","- C50 H34 Cl6 O12 S2 Ti2 W2 -","2","1","","Bezuidenhout, Daniela I.; Barnard, Werner; van der Westhuizen, Belinda; van der Watt, Elisia; Liles, David C.","Multimetal Fischer carbene complexes of Group VI transition metals: synthesis, structure and substituent effect investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6711","6721","10.1039/c1dt10183h","","","0.71073","MoKα","","0.027","0.0264","","","0.0704","0.0709","","","","","","1.045","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016081","8.4597","0.0006","10.801","0.0008","13.1159","0.001","109.659","0.001","108.08","0.001","95.91","0.001","1043.68","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ethoxy-(eta$6!-tricarbonylchromium-benzo(b)thien-2-yl)- methylidene)-(pentacarbonyl)-tungsten","(Ethoxy-(η^6^-tricarbonylchromium-benzo[b]thien-2-yl)-methylidene)- (pentacarbonyl)-tungsten","","- C19 H10 Cr O9 S W -","- C19 H10 Cr O9 S W -","- C38 H20 Cr2 O18 S2 W2 -","2","1","","Bezuidenhout, Daniela I.; Barnard, Werner; van der Westhuizen, Belinda; van der Watt, Elisia; Liles, David C.","Multimetal Fischer carbene complexes of Group VI transition metals: synthesis, structure and substituent effect investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6711","6721","10.1039/c1dt10183h","","","0.71073","MoKα","","0.0453","0.0444","","","0.1154","0.1172","","","","","","1.034","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016082","11.228","0.0005","12.2398","0.0005","23.9446","0.0011","90","","101.298","0.001","90","","3226.9","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","((Chloro-bis(eta$5!-pentadienyl)-titanium-oxy)-(eta$6!- tricarbonylchromium-benzo(b)thien-2-yl)-methylidene)-(pentacarbonyl)- tungsten dichloromethane solvate","((Chloro-bis(η^5^-pentadienyl)-titanium-oxy)-(η^6^-tricarbonylchromium- benzo[b]thien-2-yl)-methylidene)-(pentacarbonyl)-tungsten dichloromethane solvate","","- C28 H17 Cl3 Cr O9 S Ti W -","- C28 H17 Cl3 Cr O9 S Ti W -","- C112 H68 Cl12 Cr4 O36 S4 Ti4 W4 -","4","1","","Bezuidenhout, Daniela I.; Barnard, Werner; van der Westhuizen, Belinda; van der Watt, Elisia; Liles, David C.","Multimetal Fischer carbene complexes of Group VI transition metals: synthesis, structure and substituent effect investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6711","6721","10.1039/c1dt10183h","","","0.71073","MoKα","","0.0435","0.0307","","","0.0773","0.0871","","","","","","1.035","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016083","23.22","0.003","10.0663","0.0014","10.8634","0.0015","90","","90","","90","","2539.2","0.6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","((Chloro-bis(eta$5!-pentadienyl)-titanium-oxy)-(ferrocenyl)- methylidene)-(pentacarbonyl)-tungsten","((Chloro-bis(η^5^-pentadienyl)-titanium-oxy)-(ferrocenyl)-methylidene)- (pentacarbonyl)-tungsten","","- C26 H19 Cl Fe O6 Ti W -","- C26 H19 Cl Fe O6 Ti W -","- C104 H76 Cl4 Fe4 O24 Ti4 W4 -","4","1","","Bezuidenhout, Daniela I.; Barnard, Werner; van der Westhuizen, Belinda; van der Watt, Elisia; Liles, David C.","Multimetal Fischer carbene complexes of Group VI transition metals: synthesis, structure and substituent effect investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6711","6721","10.1039/c1dt10183h","","","0.71073","MoKα","","0.0667","0.0413","","","0.0885","0.0996","","","","","","1.034","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016084","13.567","0.002","19.623","0.003","14.296","0.002","90","","90.334","0.004","90","","3805.9","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H51 N2 O3 P3 -","- C42 H51 N2 O3 P3 -","- C168 H204 N8 O12 P12 -","4","1","","Popovici, Cristinel; Fernández, Ignacio; Oña-Burgos, Pascual; Roces, Laura; García-Granda, Santiago; Ortiz, Fernando López","Synthesis and structure of tridentate bis(phosphinic amide)-phosphine oxide complexes of yttrium nitrate. Applications of (31)P,(89)Y NMR methods in structural elucidation in solution.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6691","6703","10.1039/c1dt10194c","","","0.71073","MoKα","","0.0817","0.0446","","","0.0572","0.0623","","","","","","0.877","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016085","14.831","0.002","15.879","0.002","23.473","0.003","74.596","0.002","73.845","0.003","62.892","0.003","4663.6","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H105 N8 O15 P6 Y -","- C86 H105 N8 O15 P6 Y -","- C172 H210 N16 O30 P12 Y2 -","2","1","","Popovici, Cristinel; Fernández, Ignacio; Oña-Burgos, Pascual; Roces, Laura; García-Granda, Santiago; Ortiz, Fernando López","Synthesis and structure of tridentate bis(phosphinic amide)-phosphine oxide complexes of yttrium nitrate. Applications of (31)P,(89)Y NMR methods in structural elucidation in solution.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6691","6703","10.1039/c1dt10194c","","","0.71073","MoKα","","0.1044","0.0576","","","0.1201","0.1293","","","","","","0.804","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016086","21.5641","0.0007","20.9926","0.0008","24.1037","0.0008","90","","119.372","0.002","90","","9508.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 N6 O12 P3 Y -","- C44 H54 N6 O12 P3 Y -","- C352 H432 N48 O96 P24 Y8 -","8","2","","Popovici, Cristinel; Fernández, Ignacio; Oña-Burgos, Pascual; Roces, Laura; García-Granda, Santiago; Ortiz, Fernando López","Synthesis and structure of tridentate bis(phosphinic amide)-phosphine oxide complexes of yttrium nitrate. Applications of (31)P,(89)Y NMR methods in structural elucidation in solution.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6691","6703","10.1039/c1dt10194c","","","0.71073","MoKα","","0.0968","0.0426","","","0.0666","0.0754","","","","","","0.825","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016087","13.616","0.003","16.444","0.003","17.04","0.003","114.348","0.002","102.282","0.003","91.108","0.003","3371.7","1.1","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H73 B F20 N3 Nb O2 -","- C66 H73 B F20 N3 Nb O2 -","- C132 H146 B2 F40 N6 Nb2 O4 -","2","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Synthesis and reactivity of cationic niobium and tantalum methyl complexes supported by imido and β-diketiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7718","7729","10.1039/c1dt10202h","","x-ray","0.71073","MoKα","","0.0935","0.0513","","","0.1153","0.1315","","","","","","1.054","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016088","10.4181","0.001","12.5964","0.0012","16.7145","0.0016","84.962","0.001","76.552","0.001","74.749","0.001","2057.4","0.3","134","2","134","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H62 Cl2 N4 Ta -","- C41 H62 Cl2 N4 Ta -","- C82 H124 Cl4 N8 Ta2 -","2","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Synthesis and reactivity of cationic niobium and tantalum methyl complexes supported by imido and β-diketiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7718","7729","10.1039/c1dt10202h","","","0.71073","MoKα","","0.0286","0.0248","","","0.0619","0.0629","","","","","","1.267","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016089","10.4872","0.0015","13.1367","0.0019","24.997","0.004","90","","93.375","0.002","90","","3437.8","0.9","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.86 H55.58 Cl0.14 N3 Ta -","- C34.86 H55.58 Cl0.14 N3 Ta -","- C139.44 H222.32 Cl0.56 N12 Ta4 -","4","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Synthesis and reactivity of cationic niobium and tantalum methyl complexes supported by imido and β-diketiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7718","7729","10.1039/c1dt10202h","","","0.71073","MoKα","","0.054","0.0371","","","0.0739","0.0803","","","","","","0.991","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016090","23.1585","0.0018","17.9103","0.0013","24.1797","0.0018","90","","90","","90","","10029.2","1.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C51 H38.25 F12 N3 O0.63 P4 Ru S3 -","- C51 H37 F12 N3 O0.626 P4 Ru S3 -","- C408 H296 F96 N24 O5.008 P32 Ru8 S24 -","8","1","","Kuchison, Angela M.; Wolf, Michael O.; Patrick, Brian O.","Photophysical and electrochemical properties of Ru(ii) complexes containing tridentate bisphosphino-oligothiophene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6912","6921","10.1039/c1dt10217f","","","0.71073","MoKα","","0.0976","0.058","","","0.1149","0.1323","","","","","","1.152","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016091","11.4316","0.0011","12.3814","0.0011","14.7724","0.0014","79.927","0.004","71.311","0.004","79.022","0.004","1929.7","0.3","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C41 H36 Cl2 N2 O P2 Ru S3 -","- C41 H36 Cl2 N2 O P2 Ru S3 -","- C82 H72 Cl4 N4 O2 P4 Ru2 S6 -","2","2","","Kuchison, Angela M.; Wolf, Michael O.; Patrick, Brian O.","Photophysical and electrochemical properties of Ru(ii) complexes containing tridentate bisphosphino-oligothiophene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6912","6921","10.1039/c1dt10217f","","","0.71073","MoKα","","0.0361","0.0316","","","0.0735","0.0757","","","","","","1.066","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016092","9.9549","0.0013","14.7616","0.0019","30.146","0.003","97.643","0.005","92.318","0.005","95.276","0.005","4365.8","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H34 Cl F6 N2 P3 Ru S3 -","- C46 H34 Cl0.97105 F6 N2 P3 Ru S3 -","- C184 H136 Cl3.8842 F24 N8 P12 Ru4 S12 -","4","2","","Kuchison, Angela M.; Wolf, Michael O.; Patrick, Brian O.","Photophysical and electrochemical properties of Ru(ii) complexes containing tridentate bisphosphino-oligothiophene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6912","6921","10.1039/c1dt10217f","","","0.71073","MoKα","","0.079","0.0463","","","0.0809","0.091","","","","","","1.022","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016093","12.535","0.003","14.458","0.003","15.377","0.003","103.9","0.03","113.86","0.03","103.33","0.03","2299.2","1.4","223","2","223","2","","","","","","","","11","P -1","-P 1","2","","","","- C67 H88 B2 Br2 Cl2 Cu6 F12 N18 P2 S6 W2 -","- C67 H88 B2 Br2 Cl2 Cu6 F12 N18 P2 S6 W2 -","- C67 H88 B2 Br2 Cl2 Cu6 F12 N18 P2 S6 W2 -","1","0.5","","Lü, Xue; Chen, Xi; Ren, Zhi-Gang; Lang, Jian-Ping; Liu, Dong; Sun, Zhen-Rong","Four [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)]-based clusters: synthesis, structural characterization and third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7983","7992","10.1039/c1dt10230c","","","0.71073","MoKα","","0.0754","0.0589","","","0.1767","0.1862","","","","","","1.116","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016094","12.757","0.003","14.24","0.003","16.838","0.003","89.8","0.03","82.28","0.03","82.73","0.03","3006.4","1.1","223","2","223","2","","","","","","","","10","P -1","-P 1","2","","","","- C38 H52 B2 Br4 Cl0 Cu6 N16 O S6 W2 -","- C38 H50 B2 Br4 Cu6 N16 O S6 W2 -","- C76 H100 B4 Br8 Cu12 N32 O2 S12 W4 -","2","1","","Lü, Xue; Chen, Xi; Ren, Zhi-Gang; Lang, Jian-Ping; Liu, Dong; Sun, Zhen-Rong","Four [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)]-based clusters: synthesis, structural characterization and third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7983","7992","10.1039/c1dt10230c","","","0.71073","MoKα","","0.18","0.1191","","","0.2408","0.2799","","","","","","1.185","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016095","10.781","0.002","15.876","0.003","19.179","0.004","97.13","0.03","90.43","0.03","92.27","0.03","3254.5","1.1","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H64 B2 Br4 Cu6 N24 O2 S6 W2 -","- C38 H64 B2 Br4 Cu6 N24 O2 S6 W2 -","- C76 H128 B4 Br8 Cu12 N48 O4 S12 W4 -","2","1","","Lü, Xue; Chen, Xi; Ren, Zhi-Gang; Lang, Jian-Ping; Liu, Dong; Sun, Zhen-Rong","Four [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)]-based clusters: synthesis, structural characterization and third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7983","7992","10.1039/c1dt10230c","","","0.71073","MoKα","","0.0937","0.0713","","","0.2059","0.2175","","","","","","1.19","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7016096","17.683","0.004","22.969","0.005","25.06","0.005","90","","109.09","0.03","90","","9619","4","223","2","223","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C25 H42 B Br2 Cu3 N19 O0.5 S3 W -","- C25 H42 B Br2 Cu3 N19 O0.5 S3 W -","- C200 H336 B8 Br16 Cu24 N152 O4 S24 W8 -","8","1","","Lü, Xue; Chen, Xi; Ren, Zhi-Gang; Lang, Jian-Ping; Liu, Dong; Sun, Zhen-Rong","Four [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)]-based clusters: synthesis, structural characterization and third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7983","7992","10.1039/c1dt10230c","","","0.71073","MoKα","","0.0709","0.057","","","0.1371","0.1459","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016097","20.69","0.002","20.374","0.002","40.538","0.003","90","","90","","90","","17088","3","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C103 H108 Fe2 P4 -","- C103 H108 Fe2 P4 -","- C824 H864 Fe16 P32 -","8","1","","Malvolti, Floriane; Rouxel, Cedric; Mongin, Olivier; Hapiot, Philippe; Toupet, Loic; Blanchard-Desce, Mireille; Paul, Frédéric","Optical electron transfer through 2,7-diethynylfluorene spacers in mixed-valent complexes containing electron-rich ""(η(2)-dppe)(η(5)-C(5)Me(5))Fe"" endgroups.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6616","6618","10.1039/c1dt10231a","","","0.71073","MoKα","","0.1694","0.065","","","0.1221","0.1381","","","","","","0.981","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016098","8.6404","0.0002","9.8779","0.0003","11.6636","0.0002","97.771","0.001","98.642","0.001","94.085","0.001","970.87","0.04","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Cu3 N2 O14 S4 -","- C32 H40 Cu3 N2 O14 S4 -","- C32 H40 Cu3 N2 O14 S4 -","1","0.5","","Boulsourani, Z.; Tangoulis, V.; Raptopoulou, C. P.; Psycharis, V.; Dendrinou-Samara, C","Ferromagnetic and antiferromagnetic copper(ii) complexes: Counterplay between zero-field effects of the quartet ground state and intermolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7946","7956","10.1039/c1dt10254k","","","1.54178","CuKα","","0.0534","0.0502","","","0.1459","0.1492","","","","","","1.066","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016099","12.5289","0.0002","13.379","0.0002","14.054","0.0002","111.332","0.001","95.526","0.001","92.457","0.001","2176.47","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cu3 N2 O14 S4 -","- C36 H48 Cu3 N2 O14 S4 -","- C72 H96 Cu6 N4 O28 S8 -","2","1","","Boulsourani, Z.; Tangoulis, V.; Raptopoulou, C. P.; Psycharis, V.; Dendrinou-Samara, C","Ferromagnetic and antiferromagnetic copper(ii) complexes: Counterplay between zero-field effects of the quartet ground state and intermolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7946","7956","10.1039/c1dt10254k","","","1.54178","CuKα","","0.0793","0.0518","","","0.1212","0.1471","","","","","","1.053","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016100","8.5728","0.0002","16.3472","0.0002","11.2474","0.0002","90","","98.398","0.001","90","","1559.32","0.05","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cu3 N4 O16 S2 -","- C22 H32 Cu3 N4 O16 S2 -","- C44 H64 Cu6 N8 O32 S4 -","2","0.5","","Boulsourani, Z.; Tangoulis, V.; Raptopoulou, C. P.; Psycharis, V.; Dendrinou-Samara, C","Ferromagnetic and antiferromagnetic copper(ii) complexes: Counterplay between zero-field effects of the quartet ground state and intermolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7946","7956","10.1039/c1dt10254k","","","1.54178","CuKα","","0.0441","0.043","","","0.109","0.1101","","","","","","1.071","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016101","8.7189","0.0001","11.7125","0.0002","12.4995","0.0002","84.081","0.001","76.967","0.001","70.158","0.001","1169.25","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Cu3 N4 O14 S4 -","- C40 H54 Cu3 N4 O14 S4 -","- C40 H54 Cu3 N4 O14 S4 -","1","0.5","","Boulsourani, Z.; Tangoulis, V.; Raptopoulou, C. P.; Psycharis, V.; Dendrinou-Samara, C","Ferromagnetic and antiferromagnetic copper(ii) complexes: Counterplay between zero-field effects of the quartet ground state and intermolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7946","7956","10.1039/c1dt10254k","","","1.54178","CuKα","","0.0349","0.0321","","","0.0834","0.086","","","","","","1.072","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016102","11.9158","0.0008","16.1483","0.0012","12.7891","0.0009","90","","99.84","0.004","90","","2424.7","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 O6 V -","- C23 H28 N4 O6 V -","- C92 H112 N16 O24 V4 -","4","1","","Maurya, Mannar R.; Bisht, Manisha; Kumar, Amit; Kuznetsov, Maxim L.; Avecilla, Fernando; Pessoa, João Costa","Synthesis, characterization, reactivity and catalytic activity of oxidovanadium(iv), oxidovanadium(v) and dioxidovanadium(v) complexes of benzimidazole modified ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6968","6983","10.1039/c1dt10261c","","","0.71073","MoKα","","0.0608","0.0443","","","0.1155","0.1348","","","","","","1.163","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016103","9.2536","0.001","7.6218","0.0011","12.375","0.0011","90","","97.059","0.002","90","","866.18","0.17","296","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 Br2 N2 Zn -","- C16 H18 Br2 N2 Zn -","- C32 H36 Br4 N4 Zn2 -","2","0.5","","Saha Roy, Amit; Saha, Pinaki; Mitra, Partha; Sundar Maity, Shyam; Ghosh, Sanjib; Ghosh, Prasanta","Unsymmetrical diimine chelation to M(ii) (M = Zn, Cd, Pd): atropisomerism, pi-pi stacking and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7375","7384","10.1039/c1dt10270b","","","0.71073","MoKα","","0.0306","0.0281","","","0.0726","0.0738","","","","","","1.133","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016104","14.411","0.002","8.4524","0.0014","13.411","0.002","90","","105.942","0.005","90","","1570.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 N2 Zn -","- C14 H14 Br2 N2 Zn -","- C56 H56 Br8 N8 Zn4 -","4","1","","Saha Roy, Amit; Saha, Pinaki; Mitra, Partha; Sundar Maity, Shyam; Ghosh, Sanjib; Ghosh, Prasanta","Unsymmetrical diimine chelation to M(ii) (M = Zn, Cd, Pd): atropisomerism, pi-pi stacking and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7375","7384","10.1039/c1dt10270b","","","0.71073","MoKα","","0.131","0.0971","","","0.2765","0.3119","","","","","","1.103","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016105","10.068","0.004","15.311","0.006","18.234","0.008","90","","90","","90","","2811","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl2 N2 O2 Pd -","- C12 H12 Cl2 N2 O2 Pd -","- C96 H96 Cl16 N16 O16 Pd8 -","8","1","","Saha Roy, Amit; Saha, Pinaki; Mitra, Partha; Sundar Maity, Shyam; Ghosh, Sanjib; Ghosh, Prasanta","Unsymmetrical diimine chelation to M(ii) (M = Zn, Cd, Pd): atropisomerism, pi-pi stacking and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7375","7384","10.1039/c1dt10270b","","","0.71073","MoKα","","0.054","0.0344","","","0.0821","0.0963","","","","","","1.089","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016106","10.1779","0.0006","10.5781","0.0006","11.4041","0.0008","112.535","0.004","111.534","0.004","94.306","0.003","1021.09","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 N4 O4 Pb2 S8 -","- C32 H36 N4 O4 Pb2 S8 -","- C32 H36 N4 O4 Pb2 S8 -","1","0.5","","Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A.","Formation of PbS materials from lead xanthate precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6893","6900","10.1039/c1dt10273g","","","0.71073","MoKα","","0.0741","0.0593","","","0.1506","0.1638","","","","","","1.039","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016107","10.1566","0.0001","24.0033","0.0003","10.3252","0.0001","90","","107.097","0.001","90","","2405.96","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H52 N4 O4 Pb2 S8 -","- C40 H52 N4 O4 Pb2 S8 -","- C80 H104 N8 O8 Pb4 S16 -","2","1","","Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A.","Formation of PbS materials from lead xanthate precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6893","6900","10.1039/c1dt10273g","","","0.71073","MoKα","","0.061","0.0476","","","0.1054","0.112","","","","","","1.026","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016108","10.483","0.0003","12.0326","0.0004","8.1257","0.0002","90","","91.893","0.002","90","","1024.4","0.05","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C12 H26 N2 O2 Pb S4 -","- C12 H26 N2 O2 Pb S4 -","- C24 H52 N4 O4 Pb2 S8 -","2","1","","Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A.","Formation of PbS materials from lead xanthate precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6893","6900","10.1039/c1dt10273g","","","0.71073","MoKα","","0.0624","0.0473","","","0.102","0.1101","","","","","","1.03","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016109","13.1961","0.0004","12.445","0.0004","15.2419","0.0005","90","","109.177","0.002","90","","2364.21","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H33 N3 O2 Pb S4 -","- C15 H33 N3 O2 Pb S4 -","- C60 H132 N12 O8 Pb4 S16 -","4","1","","Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A.","Formation of PbS materials from lead xanthate precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6893","6900","10.1039/c1dt10273g","","","0.71073","MoKα","","0.0694","0.0378","","","0.0758","0.0869","","","","","","1.031","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016110","10.818","0.0004","8.122","0.0004","16.2173","0.0008","90","","96.683","0.003","90","","1415.23","0.11","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H41 N3 O2 Pb S4 -","- C19 H41 N3 O2 Pb S4 -","- C38 H82 N6 O4 Pb2 S8 -","2","1","","Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A.","Formation of PbS materials from lead xanthate precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6893","6900","10.1039/c1dt10273g","","","0.71073","MoKα","","0.1032","0.0559","","","0.107","0.124","","","","","","1.011","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016111","8.3293","0.0003","17.7557","0.0007","19.8896","0.0007","90","","90","","90","","2941.52","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 Cu2 N4 O12 -","- C26 H22 Cl2 Cu2 N4 O12 -","- C104 H88 Cl8 Cu8 N16 O48 -","4","1","","Anbu, Sellamuthu; Kandaswamy, Muthusamy; Kamalraj, Subban; Muthumarry, Johnpaul; Varghese, Babu","Phosphatase-like activity, DNA binding, DNA hydrolysis, anticancer and lactate dehydrogenase inhibition activity promoting by a new bis-phenanthroline dicopper(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7310","7318","10.1039/c1dt10277j","","","0.71073","MoKα","","0.0604","0.046","","","0.1159","0.1268","","","","","","1.015","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016112","8.2749","0.0017","11.868","0.002","15.649","0.003","72.52","0.03","78.69","0.03","81.16","0.03","1430","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cl Co0.5 N12 O6 -","- C24 H28 Cl Co0.5 N12 O6 -","- C48 H56 Cl2 Co N24 O12 -","2","1","","Zhang, Shi-Yuan; Zhang, Zhen-Jie; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural evolution and magnetic properties of Co(II) coordination polymers varied from 1D to 3D constructed by 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7993","8002","10.1039/c1dt10282f","","","0.71073","MoKα","","0.0711","0.0555","","","0.1281","0.1378","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016113","8.166","0.0018","11.812","0.003","15.559","0.004","72.592","0.004","78.814","0.004","82.024","0.005","1399.6","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H28 B Co0.5 F4 N12 O2 -","- C24 H26 B Co0.5 F4 N12 O2 -","- C48 H52 B2 Co F8 N24 O4 -","2","1","","Zhang, Shi-Yuan; Zhang, Zhen-Jie; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural evolution and magnetic properties of Co(II) coordination polymers varied from 1D to 3D constructed by 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7993","8002","10.1039/c1dt10282f","","","0.71075","MoKα","","0.1623","0.0624","","","0.1404","0.1603","","","","","","0.88","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016114","9.0519","0.001","9.4026","0.0009","10.599","0.0012","81.697","0.004","75.627","0.003","62.257","0.008","772.97","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Co0.5 N7 O5 -","- C12 H16 Co0.5 N7 O5 -","- C24 H32 Co N14 O10 -","2","1","","Zhang, Shi-Yuan; Zhang, Zhen-Jie; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural evolution and magnetic properties of Co(II) coordination polymers varied from 1D to 3D constructed by 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7993","8002","10.1039/c1dt10282f","","","0.71075","MoKα","","0.0506","0.042","","","0.0991","0.1031","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016115","7.476","0.0015","21.945","0.004","8.6629","0.0017","90","","108.28","0.03","90","","1349.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl Co0.5 N6 -","- C12 H12 Cl Co0.5 N6 -","- C48 H48 Cl4 Co2 N24 -","4","1","","Zhang, Shi-Yuan; Zhang, Zhen-Jie; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural evolution and magnetic properties of Co(II) coordination polymers varied from 1D to 3D constructed by 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7993","8002","10.1039/c1dt10282f","","","0.71073","MoKα","","0.0626","0.0475","","","0.0808","0.0848","","","","","","1.177","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016116","14.6365","0.0013","5.4996","0.0006","24.163","0.003","90","","98.089","0.007","90","","1925.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Co0.5 N3 O5 -","- C20 H19 Co0.5 N3 O5 -","- C80 H76 Co2 N12 O20 -","4","1","","Zhang, Shi-Yuan; Zhang, Zhen-Jie; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural evolution and magnetic properties of Co(II) coordination polymers varied from 1D to 3D constructed by 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7993","8002","10.1039/c1dt10282f","","","0.71075","MoKα","","0.0743","0.0551","","","0.1417","0.1528","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016117","8.8872","0.0013","10.1085","0.0014","11.8161","0.0014","89.748","0.004","68.606","0.008","76.373","0.003","956.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Co N6 O4 -","- C20 H16 Co N6 O4 -","- C40 H32 Co2 N12 O8 -","2","1","","Zhang, Shi-Yuan; Zhang, Zhen-Jie; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural evolution and magnetic properties of Co(II) coordination polymers varied from 1D to 3D constructed by 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7993","8002","10.1039/c1dt10282f","","","0.71075","MoKα","","0.0589","0.0512","","","0.1177","0.1217","","","","","","1.085","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016118","9.9581","0.0013","10.0119","0.0012","28.536","0.003","90","","108.002","0.004","90","","2705.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Co1.5 N9 O7 -","- C27 H21 Co1.5 N9 O7 -","- C108 H84 Co6 N36 O28 -","4","1","","Zhang, Shi-Yuan; Zhang, Zhen-Jie; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural evolution and magnetic properties of Co(II) coordination polymers varied from 1D to 3D constructed by 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7993","8002","10.1039/c1dt10282f","","","0.71075","MoKα","","0.1086","0.0695","","","0.1241","0.1371","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016119","9.275","0.003","11.075","0.003","28.066","0.008","90","","92.059","0.004","90","","2881.1","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 B10 Br Cl2 Ru S3 -","- C19 H29 B10 Br Cl2 Ru S3 -","- C76 H116 B40 Br4 Cl8 Ru4 S12 -","4","1","","Xu, Zhi-Wei; Han, Lei; Ji, Cheng; Zhang, Rui; Shen, Xu-Jie; Yan, Hong","Reactivity of the 16e (p-cymene)Ru half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards diynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6992","6997","10.1039/c1dt10291e","","","0.71073","MoKα","","0.0895","0.0646","","","0.1648","0.1755","","","","","","1.06","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016120","8.6951","0.0007","12.0538","0.001","13.1658","0.001","99.639","0.001","90.273","0.001","93.41","0.001","1357.85","0.19","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 B10 Ru S2 -","- C22 H30 B10 Ru S2 -","- C44 H60 B20 Ru2 S4 -","2","1","","Xu, Zhi-Wei; Han, Lei; Ji, Cheng; Zhang, Rui; Shen, Xu-Jie; Yan, Hong","Reactivity of the 16e (p-cymene)Ru half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards diynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6992","6997","10.1039/c1dt10291e","","","0.71073","MoKα","","0.062","0.0503","","","0.1072","0.109","","","","","","1.115","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016121","12.395","0.003","14.97","0.003","15.151","0.003","68.2","0.03","87.43","0.03","89.97","0.03","2607.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H56 B20 Cl4 Ru2 S5 -","- C34 H56 B20 Cl4 Ru2 S5 -","- C68 H112 B40 Cl8 Ru4 S10 -","2","1","","Xu, Zhi-Wei; Han, Lei; Ji, Cheng; Zhang, Rui; Shen, Xu-Jie; Yan, Hong","Reactivity of the 16e (p-cymene)Ru half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand towards diynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6992","6997","10.1039/c1dt10291e","","","0.71073","MoKα","","0.0763","0.05","","","0.126","0.1387","","","","","","1.086","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016122","13.759","0.004","11.094","0.003","21.215","0.006","90","","108.781","0.005","90","","3065.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N9 P S -","- C33 H30 N9 P S -","- C132 H120 N36 P4 S4 -","4","1","","Chandrasekhar, Vadapalli; Pandey, Mrituanjay D.; Gopal, Kandasamy; Azhakar, Ramachandran","Assembly of a dinuclear silver complex containing an Ag(2)S(2) motif from a phosphorus-supported trishydrazone ligand. P[double bond, length as m-dash]S→Ag(I) coordination.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7873","7878","10.1039/c1dt10294j","","","0.71073","MoKα","","0.0685","0.0542","","","0.1334","0.1502","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016123","19.171","0.012","19.171","0.012","7.848","0.003","90","","90","","120","","2498","2","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H36 N9 O3 P S -","- C33 H36 N9 O3 P S -","- C99 H108 N27 O9 P3 S3 -","3","0.333333","","Chandrasekhar, Vadapalli; Pandey, Mrituanjay D.; Gopal, Kandasamy; Azhakar, Ramachandran","Assembly of a dinuclear silver complex containing an Ag(2)S(2) motif from a phosphorus-supported trishydrazone ligand. P[double bond, length as m-dash]S→Ag(I) coordination.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7873","7878","10.1039/c1dt10294j","","","0.71073","MoKα","","0.0447","0.041","","","0.0992","0.1015","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016124","8.904","0.003","11.819","0.004","17.472","0.006","72.568","0.006","81.294","0.006","76.966","0.006","1702.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 N9 O2 P S -","- C35 H38 N9 O2 P S -","- C70 H76 N18 O4 P2 S2 -","2","1","","Chandrasekhar, Vadapalli; Pandey, Mrituanjay D.; Gopal, Kandasamy; Azhakar, Ramachandran","Assembly of a dinuclear silver complex containing an Ag(2)S(2) motif from a phosphorus-supported trishydrazone ligand. P[double bond, length as m-dash]S→Ag(I) coordination.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7873","7878","10.1039/c1dt10294j","","","0.71073","MoKα","","0.077","0.0589","","","0.1453","0.1677","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016125","10.753","0.005","12.954","0.005","15.432","0.005","80.692","0.005","85.963","0.005","71.044","0.005","2005.9","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H72 Ag2 Cl2 N22 O8 P2 S2 -","- C74 H72 Ag2 Cl2 N22 O8 P2 S2 -","- C74 H72 Ag2 Cl2 N22 O8 P2 S2 -","1","0.5","","Chandrasekhar, Vadapalli; Pandey, Mrituanjay D.; Gopal, Kandasamy; Azhakar, Ramachandran","Assembly of a dinuclear silver complex containing an Ag(2)S(2) motif from a phosphorus-supported trishydrazone ligand. P[double bond, length as m-dash]S→Ag(I) coordination.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7873","7878","10.1039/c1dt10294j","","","0.71069","MoKα","","0.0938","0.0683","","","0.1789","0.2312","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016126","11.992","0.0002","16.711","0.0003","18.624","0.0003","90","","96.524","0.001","90","","3708.05","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 N2 O P2 Ru -","- C42 H48 N2 O P2 Ru -","- C168 H192 N8 O4 P8 Ru4 -","4","1","","Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Formation and reactivity of the cyclometallated N-heterocyclic carbene complexes [Ru(NHC)'(dppe)(CO)H].","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7858","7865","10.1039/c1dt10299k","","","0.71073","MoKα","","0.0496","0.0313","","","0.0685","0.0755","","","","","","1.044","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016127","10.617","0.0001","29.63","0.0003","11.835","0.0002","90","","112.223","0.001","90","","3446.52","0.08","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H43 Cl N2 O P2 Ru -","- C38 H43 Cl N2 O P2 Ru -","- C152 H172 Cl4 N8 O4 P8 Ru4 -","4","1","","Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Formation and reactivity of the cyclometallated N-heterocyclic carbene complexes [Ru(NHC)'(dppe)(CO)H].","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7858","7865","10.1039/c1dt10299k","","","0.71073","MoKα","","0.0908","0.0454","","","0.099","0.1184","","","","","","1.007","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016128","14.74","0.0002","10.699","0.0002","22.898","0.0004","90","","107.509","0.001","90","","3443.79","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl N2 O P2 Ru -","- C38 H43 Cl N2 O P2 Ru -","- C152 H172 Cl4 N8 O4 P8 Ru4 -","4","1","","Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Formation and reactivity of the cyclometallated N-heterocyclic carbene complexes [Ru(NHC)'(dppe)(CO)H].","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7858","7865","10.1039/c1dt10299k","","","0.71073","MoKα","","0.0635","0.0403","","","0.0924","0.1041","","","","","","1.065","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016129","12.9663","0.0002","13.1062","0.0002","30.1835","0.0005","90","","90","","90","","5129.35","0.14","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H56 B2 F8 N6 O P2 Ru -","- C44 H53 B2 F8 N5 O P2 Ru -","- C176 H212 B8 F32 N20 O4 P8 Ru4 -","4","1","","Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Formation and reactivity of the cyclometallated N-heterocyclic carbene complexes [Ru(NHC)'(dppe)(CO)H].","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7858","7865","10.1039/c1dt10299k","","","0.71073","MoKα","","0.0715","0.0471","","","0.0949","0.1036","","","","","","1.019","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016130","11.046","0.002","15.2","0.003","18.65","0.004","88.9","0.03","81.91","0.03","87.03","0.03","3095.8","1.1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H75 Ir N2 O2 S2 -","- C71 H75 Ir N2 O2 S2 -","- C142 H150 Ir2 N4 O4 S4 -","2","1","","Li, Ming; Zeng, Hui; Meng, Yanyan; Sun, Huiqin; Liu, Song; Lu, Zhiyun; Huang, Yan; Pu, Xuemei","Fine tuning of emission color of iridium(iii) complexes from yellow to red via substituent effect on 2-phenylbenzothiazole ligands: synthesis, photophysical, electrochemical and DFT study.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7153","7164","10.1039/c1dt10305a","","","0.71073","MoKα","","0.0295","0.0269","","","0.0647","0.0665","","","","","","1.065","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016131","12.02816","0.00013","13.34812","0.00017","17.7144","0.0002","95.5776","0.0011","96.7837","0.001","102.795","0.001","2731.64","0.06","150","","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 Ir N2 O2 S2 -","- C49 H39 Ir N2 O2 S2 -","- C98 H78 Ir2 N4 O4 S4 -","2","1","","Li, Ming; Zeng, Hui; Meng, Yanyan; Sun, Huiqin; Liu, Song; Lu, Zhiyun; Huang, Yan; Pu, Xuemei","Fine tuning of emission color of iridium(iii) complexes from yellow to red via substituent effect on 2-phenylbenzothiazole ligands: synthesis, photophysical, electrochemical and DFT study.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7153","7164","10.1039/c1dt10305a","","","0.7107","MoKα","","0.0341","0.0297","","","0.0767","0.0792","","","","","","1.092","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016132","33.7783","0.0014","7.6998","0.0002","26.8231","0.0013","90","","116.055","0.003","90","","6267.3","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 B20 -","- C24 H38 B20 -","- C192 H304 B160 -","8","1","","Lerouge, Frédéric; Ferrer-Ugalde, Albert; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Abreu, Arturo; Xochitiotzi, Elba; Farfán, Norberto; Santillan, Rosa; Núñez, Rosario","Synthesis and fluorescence emission of neutral and anionic di- and tetra-carboranyl compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7541","7550","10.1039/c1dt10309a","","x-ray","0.71073","Mokα","","0.2084","0.1247","","","0.2983","0.3317","","","","","","1.029","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016133","11.3039","0.0009","13.1459","0.001","17.5455","0.0013","90","","101.404","0.002","90","","2555.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N6 O4 Sc -","- C29 H26 N6 O4 Sc -","- C116 H104 N24 O16 Sc4 -","4","1","","Katkova, Marina A.; Balashova, Tatyana V.; Pushkarev, Anatoly P.; Ilyin, Igor Yu; Fukin, Georgy K.; Baranov, Evgeny V.; Ketkov, Sergey Yu; Bochkarev, Mikhail N.","Anhydrous mono- and dinuclear tris(quinolinolate) complexes of scandium: the missing structures of rare earth metal 8-quinolinolates.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7713","7717","10.1039/c1dt10318k","","","0.71073","MoKα","","0.0884","0.0502","","","0.1191","0.1318","","","","","","0.959","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016134","11.1114","0.0002","22.8906","0.0005","19.7559","0.0004","90","","105.054","0.001","90","","4852.4","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 N6 O8 Sc2 -","- C58 H46 N6 O8 Sc2 -","- C232 H184 N24 O32 Sc8 -","4","1","","Katkova, Marina A.; Balashova, Tatyana V.; Pushkarev, Anatoly P.; Ilyin, Igor Yu; Fukin, Georgy K.; Baranov, Evgeny V.; Ketkov, Sergey Yu; Bochkarev, Mikhail N.","Anhydrous mono- and dinuclear tris(quinolinolate) complexes of scandium: the missing structures of rare earth metal 8-quinolinolates.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7713","7717","10.1039/c1dt10318k","","","0.71073","MoKα","","0.068","0.0377","","","0.0852","0.0923","","","","","","1.022","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016135","13.019","0.003","8.4223","0.0019","20.509","0.005","90","","107.483","0.012","90","","2144.9","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 O6.84 P2 -","- C20 H32 O6.836 P2 -","- C80 H128 O27.344 P8 -","4","0.5","","Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7137","7146","10.1039/c1dt10335k","","x-ray","0.71074","MoKα","","0.0621","0.0396","","","0.0886","0.0968","","","","","","1.044","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016136","12.0015","0.001","12.7265","0.0011","14.6537","0.0013","90","","104.51","0.002","90","","2166.8","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 O8 P2 -","- C20 H32 O8 P2 -","- C80 H128 O32 P8 -","4","0.5","","Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7137","7146","10.1039/c1dt10335k","","","0.71073","MoKα","","0.0483","0.0362","","","0.0996","0.1036","","","","","","1.088","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016137","6.5859","0.0007","9.9499","0.0011","11.4318","0.0012","89.916","0.005","89.4","0.005","86.605","0.006","747.76","0.14","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H28 P2 -","- C16 H28 P2 -","- C32 H56 P4 -","2","1","","Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7137","7146","10.1039/c1dt10335k","","x-ray","0.71074","MoKα","","0.0435","0.0391","","","0.1001","0.1033","","","","","","1.055","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016138","19.9995","0.0005","10.3237","0.0002","8.6944","0.0002","90","","92.516","0.001","90","","1793.39","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O3 P2 -","- C18 H30 O3 P2 -","- C72 H120 O12 P8 -","4","1","","Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7137","7146","10.1039/c1dt10335k","","x-ray","0.71074","MoKα","","0.0356","0.0303","","","0.0807","0.0841","","","","","","1.067","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016139","25.664","0.005","11.194","0.002","7.1808","0.0014","90","","90","","90","","2062.9","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H26 O3 P2 -","- C22 H26 O3 P2 -","- C88 H104 O12 P8 -","4","1","","Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7137","7146","10.1039/c1dt10335k","","","0.71073","MoKα","","0.0357","0.0339","","","0.0825","0.0834","","","","","","1.086","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016140","8.7796","0.0003","12.325","0.0004","16.0889","0.0005","90","","90","","90","","1740.96","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 P2 -","- C20 H24 P2 -","- C80 H96 P8 -","4","1","","Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7137","7146","10.1039/c1dt10335k","","x-ray","0.71074","MoKα","","0.0497","0.0397","","","0.0848","0.0905","","","","","","1.036","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016141","11.051","0.003","12.288","0.003","15.346","0.004","66.679","0.006","85.658","0.009","80.77","0.011","1888.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H52 Cl2 O7 P2 Pt -","- C35 H52 Cl2 O7 P2 Pt -","- C70 H104 Cl4 O14 P4 Pt2 -","2","1","","Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7137","7146","10.1039/c1dt10335k","","","0.71073","MoKα","","0.0239","0.0222","","","0.0629","0.0697","","","","","","1.11","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016142","13.6884","0.0009","14.1898","0.0018","14.3933","0.001","96.451","0.005","117.15","0.003","99.266","0.005","2399.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H120 Ge2 O10 Si4 -","- C110 H120 Ge2 O10 Si4 -","- C110 H120 Ge2 O10 Si4 -","1","0.5","","Schrick, Aaron C.; Rheingold, Arnold L.; Weinert, Charles S.","A divalent germanium complex of calix[5]arene.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6629","6631","10.1039/c1dt10347d","","","1.54178","CuKα","","0.0307","0.0282","","","0.0722","0.0736","","","","","","1.147","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016143","6.991","0.008","9.925","0.014","15.346","0.019","105.01","0.04","90.24","0.03","107.12","0.03","979","2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H48 N8 O20 S6 -","- C18 H32 N8 O20 S6 -","- C18 H32 N8 O20 S6 -","1","0.5","","Shi, Zheng; Han, Qiong-Hua; Li, Xin-Yu; Shao, Ming-Yan; Zhu, Qin-Yu; Dai, Jie","Bis(diamino-diamido)-tetrathiafulvalene, a redox active sensor for proton, anions, and cations.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7340","7347","10.1039/c1dt10353a","","","0.71075","MoKα","","0.2747","0.1337","","","0.1866","0.2342","","","","","","1.195","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016144","8.3195","0.0009","13.0986","0.0014","15.951","0.002","90","","105.181","0.003","90","","1677.6","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N10 Ni2 O6 S4 -","- C24 H38 N10 Ni2 O6 S4 -","- C48 H76 N20 Ni4 O12 S8 -","2","0.5","","Shi, Zheng; Han, Qiong-Hua; Li, Xin-Yu; Shao, Ming-Yan; Zhu, Qin-Yu; Dai, Jie","Bis(diamino-diamido)-tetrathiafulvalene, a redox active sensor for proton, anions, and cations.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7340","7347","10.1039/c1dt10353a","","","0.71075","MoKα","","0.1035","0.072","","","0.12","0.1309","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016145","11.715","0.003","12.682","0.004","13.797","0.003","87.688","0.002","73.678","0.002","88.855","0.003","1965.5","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H37 B Cu F4 N3 P2 -","- C44 H37 B Cu F4 N3 P2 -","- C88 H74 B2 Cu2 F8 N6 P4 -","2","1","","Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang","Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7551","7558","10.1039/c1dt10358j","","","0.71073","MoKα","","0.0625","0.0504","","","0.1464","0.1537","","","","","","1.106","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016146","14.871","0.003","14.472","0.003","19.411","0.004","90","","99.221","0.003","90","","4123.5","1.5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 B Cu F4 N3 O0 P2 -","- C46 H41 B Cu F4 N3 P2 -","- C184 H164 B4 Cu4 F16 N12 P8 -","4","1","","Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang","Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7551","7558","10.1039/c1dt10358j","","","0.71073","MoKα","","0.0672","0.0503","","","0.1516","0.1619","","","","","","1.117","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016147","9.4138","0.0003","18.598","0.0007","22.5631","0.0008","72.718","0.003","89.843","0.003","85.223","0.003","3757.9","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H68 B2 Cu2 F8 N6 O0 P4 -","- C82 H68 B2 Cu2 F8 N6 P4 -","- C164 H136 B4 Cu4 F16 N12 P8 -","2","1","","Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang","Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7551","7558","10.1039/c1dt10358j","","","1.5418","CuKα","","0.0588","0.0408","","","0.0996","0.1054","","","","","","0.907","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016148","9.469","0.003","20.695","0.005","20.233","0.005","90","","100.396","0.006","90","","3899.8","1.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H76 B2 Cu2 F8 N6 P4 -","- C86 H76 B2 Cu2 F8 N6 P4 -","- C172 H152 B4 Cu4 F16 N12 P8 -","2","0.5","","Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang","Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7551","7558","10.1039/c1dt10358j","","","0.71073","MoKα","","0.1718","0.0636","","","0.1326","0.1609","","","","","","0.837","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016149","15.1247","0.0006","17.5097","0.0006","18.4113","0.0006","68.401","0.003","76.139","0.003","87.182","0.003","4397.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H86 B2 Cu2 F8 N6 P4 -","- C100 H86 B2 Cu2 F8 N6 P4 -","- C200 H172 B4 Cu4 F16 N12 P8 -","2","1","","Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang","Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7551","7558","10.1039/c1dt10358j","","","1.5418","CuKα","","0.0891","0.0708","","","0.2128","0.2265","","","","","","1.06","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016150","12.7492","0.0005","17.7212","0.0006","21.2195","0.0007","90","","100.035","0.004","90","","4720.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H94 B2 Cu2 F8 N6 P4 -","- C104 H94 B2 Cu2 F8 N6 P4 -","- C208 H188 B4 Cu4 F16 N12 P8 -","2","0.5","","Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang","Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7551","7558","10.1039/c1dt10358j","","","1.54184","CuKα","","0.1165","0.0756","","","0.2163","0.2347","","","","","","0.969","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016151","21.227","0.002","23.148","0.003","16.976","0.002","90","","103.134","0.002","90","","8123.2","1.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H75 B2 Cu2 F8 N7 O0 P4 -","- C90 H75 B2 Cu2 F8 N7 P4 -","- C360 H300 B8 Cu8 F32 N28 P16 -","4","1","","Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang","Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7551","7558","10.1039/c1dt10358j","","","0.71073","MoKα","","0.0716","0.0473","","","0.1335","0.15","","","","","","1.088","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016152","26.3858","0.0004","16.0439","0.0003","19.792","0.0003","90","","92.402","0.002","90","","8371.2","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C92 H80 B2 Cu2 F8 N6 O2 P4 -","- C92 H80 B2 Cu2 F8 N6 O2 P4 -","- C368 H320 B8 Cu8 F32 N24 O8 P16 -","4","1","","Hou, Ruobing; Huang, Ting-Hong; Wang, Xiu-Jian; Jiang, Xuan-Feng; Ni, Qing-Ling; Gui, Liu-Cheng; Fan, You-Jun; Tan, Yi-Liang","Synthesis, structural characterization and luminescent properties of a series of Cu(i) complexes based on polyphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7551","7558","10.1039/c1dt10358j","","","1.5418","CuKα","","0.085","0.0671","","","0.1943","0.2117","","","","","","1.093","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016153","10.4831","0.0015","14.485","0.002","7.2366","0.0011","90","","104.049","0.004","90","","1066","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C56 H36 N12 -","4","1","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","From insertion of rhodium acetate paddlewheels into functionalized 7-azaindole hydrogen-bonded dimers to infinite architectures.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7403","7411","10.1039/c1dt10359h","","","0.71073","MoKα","","0.1243","0.0567","","","0.134","0.1641","","","","","","0.932","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016154","8.9962","0.0004","5.4962","0.0003","20.0699","0.0008","90","","99.713","0.002","90","","978.13","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5 N5 -","- C12 H5 N5 -","- C48 H20 N20 -","4","1","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","From insertion of rhodium acetate paddlewheels into functionalized 7-azaindole hydrogen-bonded dimers to infinite architectures.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7403","7411","10.1039/c1dt10359h","","","0.71073","MoKα","","0.0555","0.0382","","","0.1032","0.1219","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016155","8.0638","0.0002","11.218","0.0003","12.006","0.0003","78.236","0.001","84.267","0.001","85.021","0.001","1055.47","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N8 O10 Rh2 -","- C42 H44 N8 O10 Rh2 -","- C42 H44 N8 O10 Rh2 -","1","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","From insertion of rhodium acetate paddlewheels into functionalized 7-azaindole hydrogen-bonded dimers to infinite architectures.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7403","7411","10.1039/c1dt10359h","","","0.71073","MoKα","","0.0434","0.0344","","","0.0848","0.1064","","","","","","1.165","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016156","8.873","0.0002","10.5971","0.0002","14.7313","0.0003","107.562","0.001","90.504","0.001","101.445","0.001","1290.84","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 N10 O16 Rh2 -","- C48 H54 N10 O16 Rh2 -","- C48 H54 N10 O16 Rh2 -","1","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","From insertion of rhodium acetate paddlewheels into functionalized 7-azaindole hydrogen-bonded dimers to infinite architectures.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7403","7411","10.1039/c1dt10359h","","","0.71073","MoKα","","0.0592","0.0492","","","0.1363","0.1533","","","","","","1.102","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016157","8.7968","0.0004","36.9943","0.0015","10.2665","0.0004","90","","100.402","0.002","90","","3286.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H76 N8 O16 Rh2 -","- C68 H76 N8 O16 Rh2 -","- C136 H152 N16 O32 Rh4 -","2","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","From insertion of rhodium acetate paddlewheels into functionalized 7-azaindole hydrogen-bonded dimers to infinite architectures.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7403","7411","10.1039/c1dt10359h","","","0.71073","MoKα","","0.0885","0.0605","","","0.1074","0.1199","","","","","","1.159","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016158","7.7872","0.0002","11.7497","0.0003","13.7757","0.0004","110.514","0.001","96.115","0.001","96.072","0.001","1159.85","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O12 Rh2 -","- C36 H32 N4 O12 Rh2 -","- C36 H32 N4 O12 Rh2 -","1","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","From insertion of rhodium acetate paddlewheels into functionalized 7-azaindole hydrogen-bonded dimers to infinite architectures.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7403","7411","10.1039/c1dt10359h","","","0.71073","MoKα","","0.0393","0.0323","","","0.0904","0.0933","","","","","","1.035","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016159","8.4005","0.0002","10.4754","0.0003","13.6491","0.0004","77.861","0.001","88.822","0.002","88.178","0.001","1173.53","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 N6 O14 Rh2 -","- C46 H52 N6 O14 Rh2 -","- C46 H52 N6 O14 Rh2 -","1","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais","From insertion of rhodium acetate paddlewheels into functionalized 7-azaindole hydrogen-bonded dimers to infinite architectures.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7403","7411","10.1039/c1dt10359h","","","0.71073","MoKα","","0.0389","0.0309","","","0.0768","0.0906","","","","","","1.19","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016160","22.585","0.005","26.749","0.006","9.093","0.002","90","","90","","90","","5493","2","203","2","203","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H34 Cl2 N4 Si Ti -","- C24 H34 Cl2 N4 Si Ti -","- C192 H272 Cl16 N32 Si8 Ti8 -","8","0.5","","Bai, Sheng-Di; Guan, Fei; Hu, Min; Yuan, Shi-Fang; Guo, Jian-Ping; Liu, Dian-Sheng","Mononuclear titanium compounds based on the silyl-linked bis(amidinate) ligand: synthesis, characterization and ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7686","7688","10.1039/c1dt10365b","","","0.71073","MoKα","","0.0558","0.049","","","0.112","0.1157","","","","","","1.065","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016161","22.957","0.015","26.99","0.018","9.165","0.006","90","","90","","90","","5679","6","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H40 N4 Si Ti -","- C26 H40 N4 Si Ti -","- C208 H320 N32 Si8 Ti8 -","8","0.5","","Bai, Sheng-Di; Guan, Fei; Hu, Min; Yuan, Shi-Fang; Guo, Jian-Ping; Liu, Dian-Sheng","Mononuclear titanium compounds based on the silyl-linked bis(amidinate) ligand: synthesis, characterization and ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7686","7688","10.1039/c1dt10365b","","","0.71073","MoKα","","0.0866","0.0692","","","0.1674","0.1818","","","","","","1.077","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016162","10.7301","0.0007","12.0972","0.0012","26.5778","0.0014","90","","90","","90","","3449.9","0.4","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H27 B9 Fe -","- C13 H27 B9 Fe -","- C104 H216 B72 Fe8 -","8","1","","Holub, Josef; Stíbr, Bohumil; Bakardjiev, Mario; Růžička, Aleš; Padělková, Zdeňka","Thermal isomerization of η(6)-arene ferradicarbolllides. Experimental proof for isolobal relation between (η(6)-arene)Fe and (η(5)-cyclopentadienyl)Co cluster units.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6623","6625","10.1039/c1dt10367a","","","0.71073","MoKα","","0.0712","0.0452","","","0.0961","0.1093","","","","","","1.094","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016163","12.6261","0.0006","9.6201","0.0005","12.6258","0.0004","90","","90","","90","","1533.58","0.12","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H23 B9 Fe -","- C11 H23 B9 Fe -","- C44 H92 B36 Fe4 -","4","1","","Holub, Josef; Stíbr, Bohumil; Bakardjiev, Mario; Růžička, Aleš; Padělková, Zdeňka","Thermal isomerization of η(6)-arene ferradicarbolllides. Experimental proof for isolobal relation between (η(6)-arene)Fe and (η(5)-cyclopentadienyl)Co cluster units.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6623","6625","10.1039/c1dt10367a","","","0.71073","MoKα","","0.0322","0.0271","","","0.0601","0.0637","","","","","","1.119","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016164","12.4734","0.001","13.0561","0.0011","19.8602","0.0016","90","","97.388","0.001","90","","3207.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1463 SPN-Ph at 100K","","","- C17 H15 N2 P S -","- C17 H15 N2 P S -","- C136 H120 N16 P8 S8 -","8","2","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.039","0.0344","","","0.0906","0.0954","","","","","","1.045","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016165","16.0217","0.0004","10.523","0.0002","16.457","0.0004","90","","108.842","0.001","90","","2625.91","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1462 SPN-iPr at 100K","","","- C11 H19 N2 P S -","- C11 H19 N2 P S -","- C88 H152 N16 P8 S8 -","8","2","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0299","0.0267","","","0.0738","0.0768","","","","","","1.021","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016166","12.5485","0.001","13.0789","0.0011","20.0218","0.0016","90","","97.078","0.001","90","","3260.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1457 SePN-Ph at 100K","","","- C17 H15 N2 P Se -","- C17 H15 N2 P Se -","- C136 H120 N16 P8 Se8 -","8","2","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.047","0.0331","","","0.0816","0.0884","","","","","","1.034","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016167","10.3823","0.0004","10.6502","0.0005","12.1081","0.0005","90","","91.147","0.001","90","","1338.57","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1275 SePN-iPr at 100K","","","- C11 H19 N2 P Se -","- C11 H19 N2 P Se -","- C44 H76 N8 P4 Se4 -","4","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0206","0.0191","","","0.0507","0.0515","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7016168","12.6449","0.0015","11.8148","0.0014","23.312","0.003","90","","101.771","0.001","90","","3409.5","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","1442 (CuBr(SPN-Ph)) at 100K","","","- C17 H15 Br Cu N2 P S -","- C17 H15 Br Cu N2 P S -","- C136 H120 Br8 Cu8 N16 P8 S8 -","8","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0226","0.0199","","","0.0477","0.0486","","","","","","1.056","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016169","10.4358","0.0003","12.6065","0.0004","11.7714","0.0003","90","","92.938","0.001","90","","1546.6","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1449 (CuBr(SPN-iPr)) at 296K","","","- C11 H19 Br Cu N2 P S -","- C11 H19 Br Cu N2 P S -","- C44 H76 Br4 Cu4 N8 P4 S4 -","4","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0446","0.0246","","","0.0479","0.0543","","","","","","1.01","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016170","10.3862","0.0012","13.2474","0.0016","11.5122","0.0014","90","","98.43","0.001","90","","1566.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1480 (CuI(SPN-iPr)) at 100K","","","- C11 H19 Cu I N2 P S -","- C11 H19 Cu I N2 P S -","- C44 H76 Cu4 I4 N8 P4 S4 -","4","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0178","0.0165","","","0.0428","0.0437","","","","","","1.063","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016171","10.4116","0.0006","13.4179","0.0007","11.6623","0.0006","90","","97.501","0.002","90","","1615.3","0.15","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1459 (CuI(SePN-iPr)) at 296K","","","- C11 H19 Cu I N2 P Se -","- C11 H19 Cu I N2 P Se -","- C44 H76 Cu4 I4 N8 P4 Se4 -","4","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0517","0.036","","","0.0939","0.105","","","","","","1.025","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016172","12.8052","0.0005","28.015","0.0012","13.2949","0.0006","90","","92.056","0.002","90","","4766.3","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","1528 (Cu(NHC)(SPN-Ph))SbF6.((CH3)2CO) at 100K","","","- C47 H57 Cu F6 N4 O P S Sb -","- C47 H57 Cu F6 N4 O P S Sb -","- C188 H228 Cu4 F24 N16 O4 P4 S4 Sb4 -","4","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0535","0.0427","","","0.0975","0.1034","","","","","","1.044","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016173","9.1074","0.0002","12.8043","0.0002","35.3387","0.0006","90","","95.92","0.001","90","","4099.01","0.13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","1529 (Cu(NHC)(SPN-iPr))SbF6 at 100K","","","- C38 H55 Cu F6 N4 P S Sb -","- C38 H55 Cu F6 N4 P S Sb -","- C152 H220 Cu4 F24 N16 P4 S4 Sb4 -","4","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0346","0.0313","","","0.0678","0.069","","","","","","1.2","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016174","7.877","0.0006","13.3222","0.001","14.8577","0.0011","90","","101.953","0.001","90","","1525.3","0.2","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","1476 (Cu(SPN-iPr)2)PF6 at 100K","","","- C22 H38 Cu F6 N4 P3 S2 -","- C22 H38 Cu F6 N4 P3 S2 -","- C44 H76 Cu2 F12 N8 P6 S4 -","2","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0421","0.0396","","","0.102","0.1049","","","","","","1.055","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016175","9.2387","0.0005","14.4373","0.0007","21.7631","0.0011","90","","102.035","0.002","90","","2839","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","1499 (Cu2(SPN-Ph)2(CH3CN)2)(SbF6)2.2(Et2O) at 100K","","","- C46 H56 Cu2 F12 N6 O2 P2 S2 Sb2 -","- C46 H56 Cu2 F12 N6 O2 P2 S2 Sb2 -","- C92 H112 Cu4 F24 N12 O4 P4 S4 Sb4 -","2","0.5","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0253","0.0237","","","0.0589","0.0602","","","","","","1.061","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016176","24.901","0.003","12.6741","0.0017","16.782","0.002","90","","126.31","0.001","90","","4267.9","0.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","1477 (Cu2(SPN-iPr)2(CH3CN)2)(SbF6)2 at 100K","","","- C26 H44 Cu2 F12 N6 P2 S2 Sb2 -","- C26 H44 Cu2 F12 N6 P2 S2 Sb2 -","- C104 H176 Cu8 F48 N24 P8 S8 Sb8 -","4","0.5","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0227","0.0207","","","0.052","0.0538","","","","","","1.051","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016177","13.3328","0.0005","14.0819","0.0006","16.078","0.0007","90","","101.539","0.002","90","","2957.7","0.2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","1505 (Cu2(SPN-iPr)2(CN-tBu)2)(SbF6)2.2(Et2O) at 100K","","","- C40 H76 Cu2 F12 N6 O2 P2 S2 Sb2 -","- C40 H76 Cu2 F12 N6 O2 P2 S2 Sb2 -","- C80 H152 Cu4 F24 N12 O4 P4 S4 Sb4 -","2","0.5","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.0187","0.0164","","","0.0404","0.042","","","","","","1.087","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016178","9.2999","0.0001","9.8907","0.0001","19.5996","0.0002","96.154","0.001","100.62","0.001","112.4","0.001","1606.71","0.03","100","2","100","2","","","","","","","","8","P -1","-P 1","2","1512 (Cu(CF3SO3)(SPN-iPr)(PPh3)) at 100K","","","- C30 H34 Cu F3 N2 O3 P2 S2 -","- C30 H34 Cu F3 N2 O3 P2 S2 -","- C60 H68 Cu2 F6 N4 O6 P4 S4 -","2","1","","Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.","Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","7008","7021","10.1039/c1dt10377f","","","0.71073","MoKα","","0.039","0.0343","","","0.0868","0.0897","","","","","","1.037","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016179","10.0144","0.0003","23.056","0.0009","13.6218","0.0004","90","","109.868","0.002","90","","2957.96","0.17","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H37 Cl3 N2 O3 V -","- C29 H37 Cl3 N2 O3 V -","- C116 H148 Cl12 N8 O12 V4 -","4","1","","Carter, E.; Fallis, I. A.; Kariuki, B. M.; Morgan, I. R.; Murphy, D. M.; Tatchell, T.; Van Doorslaer, S.; Vinck, E.","Structure and pulsed EPR characterization of N,N'-bis(5-tert-butylsalicylidene)-1,2-cyclohexanediamino-vanadium(iv) oxide and its adducts with propylene oxide.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7454","7462","10.1039/c1dt10378d","","","0.71073","MoKα","","0.1015","0.0603","","","0.1295","0.1496","","","","","","1.04","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016180","10.366","0.003","8.354","0.002","26.57","0.007","90","","96.66","0.001","90","","2285.4","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 F6 N6 P Pt -","- C23 H17 F6 N6 P Pt -","- C92 H68 F24 N24 P4 Pt4 -","4","1","","Wen, Hui-Min; Wu, Yu-Hui; Xu, Liang-Jin; Zhang, Li-Yi; Chen, Chang-Neng; Chen, Zhong-Ning","Luminescent square-planar platinum(ii) complexes with tridentate 3-bis(2-pyridylimino)isoindoline and monodentate N-heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6929","6938","10.1039/c1dt10385g","","","0.71073","MoKα","","0.0435","0.0387","","","0.1126","0.1191","","","","","","1.024","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016181","13.7219","0.0017","14.5742","0.0017","18.219","0.002","90","","94.145","0.005","90","","3634","0.7","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H32 F6 Fe N4 O6 S2 -","- C32 H32 F6 Fe N4 O6 S2 -","- C128 H128 F24 Fe4 N16 O24 S8 -","4","1","","Shejwalkar, Pushkar; Rath, Nigam P.; Bauer, Eike B.","New iron(ii) α-iminopyridine complexes and their catalytic activity in the oxidation of activated methylene groups and secondary alcohols to ketones.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7617","7631","10.1039/c1dt10387c","","","0.71073","MoKα","","0.1038","0.0711","","","0.1717","0.1962","","","","","","1.02","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016182","10.7666","0.0003","12.561","0.0004","15.2293","0.0005","90.052","0.002","98.549","0.002","91.483","0.002","2036.01","0.11","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H38.5 Cl2 F6 Fe N4 O6.25 S2 -","- C35 H38 Cl2 F6 Fe N4 O6.25 S2 -","- C70 H76 Cl4 F12 Fe2 N8 O12.5 S4 -","2","1","","Shejwalkar, Pushkar; Rath, Nigam P.; Bauer, Eike B.","New iron(ii) α-iminopyridine complexes and their catalytic activity in the oxidation of activated methylene groups and secondary alcohols to ketones.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7617","7631","10.1039/c1dt10387c","","","0.71073","MoKα","","0.0644","0.0464","","","0.1191","0.1329","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016183","15.8415","0.0013","14.8314","0.001","20.2777","0.0016","90","","110.005","0.004","90","","4476.8","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Cl2 F6 Fe N4 O6 S2 -","- C38.99 H45.98 Cl2 F6 Fe N4 O6 S2 -","- C155.96 H183.92 Cl8 F24 Fe4 N16 O24 S8 -","4","1","","Shejwalkar, Pushkar; Rath, Nigam P.; Bauer, Eike B.","New iron(ii) α-iminopyridine complexes and their catalytic activity in the oxidation of activated methylene groups and secondary alcohols to ketones.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7617","7631","10.1039/c1dt10387c","","","0.71073","MoKα","","0.1922","0.1061","","","0.2305","0.2894","","","","","","1.066","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016184","13.7886","0.0013","24.535","0.002","10.0567","0.0009","90","","98.992","0.003","90","","3360.4","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H21 F8 Fe N5 O6 S2 -","- C28 H21 F8 Fe N5 O6 S2 -","- C112 H84 F32 Fe4 N20 O24 S8 -","4","1","","Shejwalkar, Pushkar; Rath, Nigam P.; Bauer, Eike B.","New iron(ii) α-iminopyridine complexes and their catalytic activity in the oxidation of activated methylene groups and secondary alcohols to ketones.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7617","7631","10.1039/c1dt10387c","","","0.71073","MoKα","","0.0948","0.0606","","","0.1453","0.1651","","","","","","1.048","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016185","30.966","0.007","6.795","0.003","15.901","0.008","90","","102.15","0.03","90","","3271","2","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H42 O6 Pd3 Se3 -","- C24 H42 O6 Pd3 Se3 -","- C96 H168 O24 Pd12 Se12 -","4","1","","Kumbhare, Liladhar B.; Wadawale, Amey; Zade, Sanjio S.; Jain, Vimal K.","Oligomeric allyl-palladium(ii) complexes of β-substituted ethylselenolates: Syntheses, structures and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7957","7966","10.1039/c1dt10392j","","","0.71069","MoKα","","0.2853","0.073","","","0.1533","0.2185","","","","","","0.986","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016186","22.1973","0.0005","22.1973","0.0005","20.2578","0.001","90","","90","","90","","9981.4","0.6","173","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C23 H34 N3 Si1.5 Sm -","- C23 H34 N3 Si1.5 Sm -","- C368 H544 N48 Si24 Sm16 -","16","1","","Pan, Cheng-Ling; Chen, Wan; Su, Shengqun; Pan, Yu-Song; Wang, Jing","Cubic and doubly-fused cubic samarium clusters from Sm(ii)-mediated reduction of organic azides and azobenzenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7941","7945","10.1039/c1dt10395d","","","0.71073","MoKα","","0.0659","0.0366","","","0.0838","0.1058","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016187","12.7941","0.001","15.055","0.0012","20.126","0.002","109.655","0.002","94.921","0.002","108.089","0.001","3391","0.5","173","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H83 I N7 O2 Si Sm3 -","- C66 H83 I N7 O2 Si Sm3 -","- C132 H166 I2 N14 O4 Si2 Sm6 -","2","1","","Pan, Cheng-Ling; Chen, Wan; Su, Shengqun; Pan, Yu-Song; Wang, Jing","Cubic and doubly-fused cubic samarium clusters from Sm(ii)-mediated reduction of organic azides and azobenzenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7941","7945","10.1039/c1dt10395d","","","0.71073","MoKα","","0.0991","0.0508","","","0.1341","0.1654","","","","","","1.011","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016188","18.3637","0.0006","21.5801","0.0006","30.833","0.0007","93.165","0.002","98.775","0.002","112.991","0.003","11027.7","0.6","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C176 H256 Cl4 Li8 N44 Si16 Sn8 -","- C176 H256 Cl4 Li8 N44 Si16 Sn8 -","- C352 H512 Cl8 Li16 N88 Si32 Sn16 -","2","1","","Sulway, Scott A.; Layfield, Richard A.; Bodensteiner, Michael; Scheuermayer, Sabine; Scheer, Manfred; Zabel, Manfred","Benzotriazolate cage complexes of tin(ii) and lithium: halide-influenced serendipitous assembly.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7559","7563","10.1039/c1dt10400d","","x-ray","0.71073","MoKα","","0.0851","0.0443","","","0.0856","0.0944","","","","","","0.971","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016189","19.1397","0.0003","20.9948","0.0003","26.6822","0.0005","92.659","0.001","95.907","0.001","111.672","0.002","9869.6","0.3","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C141 H218 Br4 Li8 N44 Si16 Sn8 -","- C141 H218 Br4 Li8 N44 Si16 Sn8 -","- C282 H436 Br8 Li16 N88 Si32 Sn16 -","2","1","","Sulway, Scott A.; Layfield, Richard A.; Bodensteiner, Michael; Scheuermayer, Sabine; Scheer, Manfred; Zabel, Manfred","Benzotriazolate cage complexes of tin(ii) and lithium: halide-influenced serendipitous assembly.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7559","7563","10.1039/c1dt10400d","","x-ray","1.54178","CuKα","","0.1027","0.0614","","","0.1542","0.1695","","","","","","0.999","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016190","37.5021","0.0005","47.41","0.0007","12.6919","0.0002","90","","90","","90","","22565.9","0.6","123","1","123","1","","","","","","","see text","7","F d d 2","F 2 -2d","43","","","","- C96 H144 I4 Li8 N18 O15 Sn -","- C96 H144 I4 Li8 N18 O15 Sn -","- C768 H1152 I32 Li64 N144 O120 Sn8 -","8","0.5","","Sulway, Scott A.; Layfield, Richard A.; Bodensteiner, Michael; Scheuermayer, Sabine; Scheer, Manfred; Zabel, Manfred","Benzotriazolate cage complexes of tin(ii) and lithium: halide-influenced serendipitous assembly.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7559","7563","10.1039/c1dt10400d","","x-ray","1.54178","CuKα","","0.0359","0.0352","","","0.0942","0.0947","","","","","","1.02","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016191","14.99","0.007","23.435","0.007","9.296","0.003","90","","90","","90","","3266","2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C74 H62 Ag2 O6 P4 -","- C74 H62 Ag2 O6 P4 -","- C148 H124 Ag4 O12 P8 -","2","0.5","","Bowmaker, Graham A.; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","Solution and mechanochemical syntheses, and spectroscopic and structural studies in the silver(i) (bi-)carbonate: triphenylphosphine system.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7210","7218","10.1039/c1dt10416k","","","0.71073","MoKα","","0.0443","0.0345","","","0.0638","0.0689","","","","","","1.049","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016192","12.173","0.0003","13.134","0.0006","21.6602","0.001","88.89","0.004","82.094","0.003","62.43","0.004","3036.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H64 Ag2 O5 P4 -","- C73 H60 Ag2 O5 P4 -","- C146 H120 Ag4 O10 P8 -","2","1","","Bowmaker, Graham A.; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","Solution and mechanochemical syntheses, and spectroscopic and structural studies in the silver(i) (bi-)carbonate: triphenylphosphine system.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7210","7218","10.1039/c1dt10416k","","","0.71073","MoKα","","0.1073","0.0637","","","0.139","0.1579","","","","","","0.931","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016193","18.2112","0.0005","20.6996","0.0012","20.386","0.0013","90","","108.315","0.005","90","","7295.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C77 H79 Ag O8 P4 -","- C77 H70 Ag O8 P4 -","- C308 H280 Ag4 O32 P16 -","4","0.5","","Bowmaker, Graham A.; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","Solution and mechanochemical syntheses, and spectroscopic and structural studies in the silver(i) (bi-)carbonate: triphenylphosphine system.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7210","7218","10.1039/c1dt10416k","","","0.71073","MoKα","","0.0777","0.0506","","","0.1403","0.1487","","","","","","0.982","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016194","10.2351","0.0003","11.9944","0.0003","13.8661","0.0003","85.949","0.002","87.989","0.002","65.093","0.003","1540.05","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Ag O3 P2 -","- C37 H31 Ag O3 P2 -","- C74 H62 Ag2 O6 P4 -","2","1","","Bowmaker, Graham A.; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","Solution and mechanochemical syntheses, and spectroscopic and structural studies in the silver(i) (bi-)carbonate: triphenylphosphine system.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7210","7218","10.1039/c1dt10416k","","","0.71073","MoKα","","0.0426","0.0277","","","0.0538","0.0555","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016195","15.18","0.003","8.3692","0.0017","36.505","0.007","90","","100.69","0.03","90","","4557.3","1.6","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H34 Cl2 Fe N10 O8 -","- C54 H34 Cl2 Fe N10 O8 -","- C216 H136 Cl8 Fe4 N40 O32 -","4","0.5","","González-Prieto, Rodrigo; Fleury, Benoit; Schramm, Frank; Zoppellaro, Giorgio; Chandrasekar, Rajadurai; Fuhr, Olaf; Lebedkin, Sergei; Kappes, Manfred; Ruben, Mario","Tuning the spin-transition properties of pyrene-decorated 2,6-bispyrazolylpyridine based Fe(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7564","7570","10.1039/c1dt10420a","","","0.71073","MoKα","","0.085","0.0537","","","0.1215","0.1348","","","","","","0.935","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016196","17.0859","0.0014","11.2068","0.0008","16.7846","0.0012","90","","117.798","0.001","90","","2843","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 B N9 O2 Zn -","- C29 H28 B N9 O2 Zn -","- C116 H112 B4 N36 O8 Zn4 -","4","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0823","0.0488","","","0.0915","0.1066","","","","","","1.008","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016197","13.5636","0.0012","14.5278","0.0013","36.29","0.003","87.8045","0.0014","79.9926","0.0014","64.3664","0.0013","6343.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H118 B3 N33 O18 Zn3 -","- C131 H118 B3 N33 O18 Zn3 -","- C262 H236 B6 N66 O36 Zn6 -","2","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0886","0.0524","","","0.1122","0.1262","","","","","","1.018","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016198","16.6709","0.0014","14.625","0.0012","18.4633","0.0014","90","","115.455","0.002","90","","4064.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 B N10 O4 Zn -","- C42 H40 B N10 O4 Zn -","- C168 H160 B4 N40 O16 Zn4 -","4","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0577","0.0424","","","0.1156","0.1252","","","","","","1.041","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016199","17.1768","0.0009","11.6552","0.0007","16.1882","0.0009","90","","115.862","0.001","90","","2916.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 B F3 N9 O Zn -","- C29 H27 B F3 N9 O Zn -","- C116 H108 B4 F12 N36 O4 Zn4 -","4","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0411","0.0342","","","0.0883","0.0931","","","","","","1.035","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016200","16.954","0.002","11.5994","0.0013","17.447","0.002","90","","116.398","0.002","90","","3073.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 B N9 O Zn -","- C33 H30 B N9 O Zn -","- C132 H120 B4 N36 O4 Zn4 -","4","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0754","0.0433","","","0.1019","0.1207","","","","","","1.057","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016201","11.842","0.003","15.757","0.004","17.293","0.005","72.951","0.004","89.883","0.004","89.978","0.004","3085","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 B N9 S Zn -","- C33 H30 B N9 S Zn -","- C132 H120 B4 N36 S4 Zn4 -","4","2","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0697","0.0469","","","0.0963","0.1075","","","","","","1.043","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016202","18.67","0.008","16.257","0.007","10.399","0.004","90","","97.551","0.009","90","","3129","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B N9 O2 Zn -","- C32 H32 B N9 O2 Zn -","- C128 H128 B4 N36 O8 Zn4 -","4","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.1416","0.1014","","","0.2569","0.2837","","","","","","1.115","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016203","13.9148","0.0016","15.3546","0.0016","14.7509","0.0015","90","","103.469","0.002","90","","3064.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 B N10 O3 Zn -","- C27 H41 B N10 O3 Zn -","- C108 H164 B4 N40 O12 Zn4 -","4","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.067","0.0424","","","0.0897","0.1015","","","","","","1.021","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016204","41.25","0.002","44.237","0.003","14.6555","0.0009","90","","90","","90","","26743","3","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C24 H38 B F6 N9 O Zn -","- C24 H38 B F6 N9 O Zn -","- C768 H1216 B32 F192 N288 O32 Zn32 -","32","2","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0534","0.0415","","","0.0945","0.0992","","","","","","1.001","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016205","9.887","0.003","20.091","0.006","16.297","0.005","90","","90.627","0.007","90","","3237","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H90 B2 N18 O3 Zn2 -","- C60 H90 B2 N18 O3 Zn2 -","- C120 H180 B4 N36 O6 Zn4 -","2","0.5","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0563","0.0406","","","0.1032","0.1114","","","","","","1.062","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016206","9.2539","0.0011","17.075","0.002","18.952","0.002","90","","90","","90","","2994.6","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 B N9 S Zn -","- C27 H42 B N9 S Zn -","- C108 H168 B4 N36 S4 Zn4 -","4","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0373","0.0332","","","0.0822","0.0853","","","","","","1.091","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016207","25.0768","0.0017","19.0144","0.0013","29.281","0.002","90","","90","","90","","13961.8","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H66 B2 N20 O6 Zn2 -","- C73 H66 B2 N20 O6 Zn2 -","- C584 H528 B16 N160 O48 Zn16 -","8","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0536","0.0369","","","0.0907","0.1025","","","","","","1.042","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016208","16.29","0.008","18.323","0.009","20.877","0.01","90","","93.436","0.011","90","","6220","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 B Cl2 N9 O -","- C22 H42 B Cl2 N9 O -","- C176 H336 B8 Cl16 N72 O8 -","8","2","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.1651","0.1047","","","0.2499","0.2883","","","","","","1.091","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016209","16.7048","0.0006","16.7988","0.0004","16.8964","0.0006","78.948","0.002","68.399","0.002","79.416","0.002","4293.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H81 Au4 Cl6 P4 S4 -","- C90 H81 Au4 Cl6 P4 S4 -","- C180 H162 Au8 Cl12 P8 S8 -","2","1","","Koshevoy, Igor O.; Smirnova, Ekaterina S.; Haukka, Matti; Laguna, Antonio; Chueca, Jessica Camara; Pakkanen, Tapani A.; Tunik, Sergey P.; Ospino, Isaura; Crespo, Olga","Synthesis, structural characterization, photophysical properties and theoretical analysis of gold(i) thiolate-phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7412","7422","10.1039/c1dt10437c","","","0.71073","MoKα","","0.0658","0.0478","","","0.1223","0.138","","","","","","1.029","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016210","11.6545","0.0003","14.2494","0.0004","17.3478","0.0005","67.1857","0.0014","89.317","0.002","74.5","0.002","2545.3","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Au2 P2 S2 -","- C60 H50 Au2 P2 S2 -","- C120 H100 Au4 P4 S4 -","2","1","","Koshevoy, Igor O.; Smirnova, Ekaterina S.; Haukka, Matti; Laguna, Antonio; Chueca, Jessica Camara; Pakkanen, Tapani A.; Tunik, Sergey P.; Ospino, Isaura; Crespo, Olga","Synthesis, structural characterization, photophysical properties and theoretical analysis of gold(i) thiolate-phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7412","7422","10.1039/c1dt10437c","","","0.71073","MoKα","","0.0684","0.0462","","","0.1092","0.1203","","","","","","1.057","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016211","12.0886","0.0003","15.6319","0.0004","16.447","0.0004","96.891","0.001","99.389","0.002","100.712","0.002","2976.45","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Au2 P2 S2 -","- C72 H60 Au2 P2 S2 -","- C144 H120 Au4 P4 S4 -","2","1","","Koshevoy, Igor O.; Smirnova, Ekaterina S.; Haukka, Matti; Laguna, Antonio; Chueca, Jessica Camara; Pakkanen, Tapani A.; Tunik, Sergey P.; Ospino, Isaura; Crespo, Olga","Synthesis, structural characterization, photophysical properties and theoretical analysis of gold(i) thiolate-phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7412","7422","10.1039/c1dt10437c","","","0.71073","MoKα","","0.0601","0.0332","","","0.0616","0.0709","","","","","","1.061","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016212","14.7817","0.0002","15.1252","0.0002","20.7653","0.0002","85.522","0.001","87.652","0.001","60.975","0.001","4047.13","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C162 H152 Au8 F24 O6 P12 S4 -","- C162 H152 Au8 F24 O6 P12 S4 -","- C162 H152 Au8 F24 O6 P12 S4 -","1","0.5","","Koshevoy, Igor O.; Smirnova, Ekaterina S.; Haukka, Matti; Laguna, Antonio; Chueca, Jessica Camara; Pakkanen, Tapani A.; Tunik, Sergey P.; Ospino, Isaura; Crespo, Olga","Synthesis, structural characterization, photophysical properties and theoretical analysis of gold(i) thiolate-phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7412","7422","10.1039/c1dt10437c","","","0.71073","MoKα","","0.0461","0.0304","","","0.0628","0.0676","","","","","","1.077","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016213","12.4289","0.0009","14.5787","0.0011","14.9984","0.0011","64.147","0.002","81.263","0.002","71.597","0.003","2320.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H35 Au2 Cl2 F6 P3 S -","- C43 H35 Au2 Cl2 F6 P3 S -","- C86 H70 Au4 Cl4 F12 P6 S2 -","2","1","","Koshevoy, Igor O.; Smirnova, Ekaterina S.; Haukka, Matti; Laguna, Antonio; Chueca, Jessica Camara; Pakkanen, Tapani A.; Tunik, Sergey P.; Ospino, Isaura; Crespo, Olga","Synthesis, structural characterization, photophysical properties and theoretical analysis of gold(i) thiolate-phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7412","7422","10.1039/c1dt10437c","","","0.71073","MoKα","","0.0861","0.0527","","","0.1304","0.144","","","","","","1.04","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016214","13.3559","0.0014","19.399","0.002","21.065","0.003","85.626","0.011","89.917","0.008","78.127","0.01","5324.9","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C217 H202 Au8 Cl4 F24 O9 P12 S4 -","- C217 H202 Au8 Cl4 F24 O9 P12 S4 -","- C217 H202 Au8 Cl4 F24 O9 P12 S4 -","1","0.5","","Koshevoy, Igor O.; Smirnova, Ekaterina S.; Haukka, Matti; Laguna, Antonio; Chueca, Jessica Camara; Pakkanen, Tapani A.; Tunik, Sergey P.; Ospino, Isaura; Crespo, Olga","Synthesis, structural characterization, photophysical properties and theoretical analysis of gold(i) thiolate-phosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7412","7422","10.1039/c1dt10437c","","","0.71073","MoKα","","0.0586","0.0459","","","0.1135","0.1226","","","","","","1.072","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016215","8.0962","0.0003","12.8293","0.0004","12.8195","0.0004","90","","100.424","0.002","90","","1309.57","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H21 Al N2 -","- C11 H21 Al N2 -","- C44 H84 Al4 N8 -","4","1","","Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her","Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7423","7433","10.1039/c1dt10442j","","","0.71073","MoKα","","0.0447","0.0351","","","0.0971","0.1017","","","","","","1.103","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016216","10.8437","0.0008","15.3133","0.0011","26.1398","0.0019","90","","96.258","0.001","90","","4314.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 Al2 N4 -","- C20 H34 Al2 N4 -","- C160 H272 Al16 N32 -","8","1","","Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her","Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7423","7433","10.1039/c1dt10442j","","","0.71073","MoKα","","0.0513","0.0391","","","0.1072","0.1131","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016217","24.0326","0.0019","12.5009","0.0007","18.4002","0.0016","90","","116.566","0.007","90","","4944.3","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H41 Al N2 O -","- C25 H41 Al N2 O -","- C200 H328 Al8 N16 O8 -","8","1","","Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her","Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7423","7433","10.1039/c1dt10442j","","","0.71073","MoKα","","0.098","0.0451","","","0.1023","0.1126","","","","","","0.937","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016218","9.24","0.004","14.081","0.006","18.041","0.006","90","","113.124","0.018","90","","2158.7","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Al2 N4 -","- C20 H34 Al2 N4 -","- C80 H136 Al8 N16 -","4","1","","Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her","Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7423","7433","10.1039/c1dt10442j","","","0.71073","MoKα","","0.1439","0.0548","","","0.1194","0.1479","","","","","","0.924","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016219","15.98","0.003","15.156","0.003","17.705","0.003","90","","99.467","0.013","90","","4229.6","1.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Al N4 -","- C19 H33 Al N4 -","- C152 H264 Al8 N32 -","8","2","","Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her","Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7423","7433","10.1039/c1dt10442j","","","0.71073","MoKα","","0.2024","0.0527","","","0.1206","0.1524","","","","","","0.761","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016220","9.0135","0.0008","9.9804","0.0009","10.8491","0.0008","103.08","0.005","96.371","0.005","102.129","0.005","916.46","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 Al N3 -","- C16 H32 Al N3 -","- C32 H64 Al2 N6 -","2","1","","Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her","Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7423","7433","10.1039/c1dt10442j","","","0.71073","MoKα","","0.0547","0.0403","","","0.1041","0.1136","","","","","","1.037","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016221","17.1684","0.0003","10.139","0.0002","16.2407","0.0003","90","","92.734","0.001","90","","2823.81","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Al N3 O -","- C29 H50 Al N3 O -","- C116 H200 Al4 N12 O4 -","4","1","","Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her","Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7423","7433","10.1039/c1dt10442j","","","0.71073","MoKα","","0.0694","0.0418","","","0.0943","0.1086","","","","","","1.02","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016222","9.2957","0.0003","20.3506","0.0008","17.9295","0.0006","90","","99.594","0.002","90","","3344.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H108 Al2 Li2 N12 -","- C63 H108 Al2 Li2 N12 -","- C126 H216 Al4 Li4 N24 -","2","0.5","","Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her","Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7423","7433","10.1039/c1dt10442j","","","0.71073","MoKα","","0.0819","0.0528","","","0.1351","0.1491","","","","","","1.106","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016223","10.4122","0.0007","17.7071","0.0011","10.7696","0.0007","90","","102.188","0.007","90","","1940.8","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Al N3 -","- C18 H36 Al N3 -","- C72 H144 Al4 N12 -","4","1","","Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her","Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7423","7433","10.1039/c1dt10442j","","","0.71073","MoKα","","0.0945","0.0548","","","0.1208","0.1298","","","","","","0.946","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016224","8.3067","0.0005","10.6772","0.0006","17.3068","0.001","93.176","0.001","99.251","0.001","109.389","0.001","1419.31","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H43 F O2 P2 Pd -","- C28 H43 F O2 P2 Pd -","- C56 H86 F2 O4 P4 Pd2 -","2","1","","Polukeev, Alexey V.; Kuklin, Sergey A.; Petrovskii, Pavel V.; Peregudova, Svetlana M.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Koridze, Avthandil A.","Synthesis and characterization of fluorophenylpalladium pincer complexes: electronic properties of some pincer ligands evaluated by multinuclear NMR spectroscopy and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7201","7209","10.1039/c1dt10446b","","","0.71073","MoKα","","0.0419","0.033","","","0.0678","0.0718","","","","","","1.021","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016225","10.5669","0.0007","10.6045","0.0007","15.8685","0.001","100.877","0.001","96.133","0.001","107.634","0.001","1638.42","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H51 F P2 Pd Ru -","- C34 H51 F P2 Pd Ru -","- C68 H102 F2 P4 Pd2 Ru2 -","2","1","","Polukeev, Alexey V.; Kuklin, Sergey A.; Petrovskii, Pavel V.; Peregudova, Svetlana M.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Koridze, Avthandil A.","Synthesis and characterization of fluorophenylpalladium pincer complexes: electronic properties of some pincer ligands evaluated by multinuclear NMR spectroscopy and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7201","7209","10.1039/c1dt10446b","","","0.71073","MoKα","","0.0304","0.0242","","","0.0543","0.057","","","","","","1.006","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016226","17.276","0.0012","13.5998","0.0009","9.8227","0.0005","90","","90","","90","","2307.8","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H36 N4 O Zr -","- C18 H36 N4 O Zr -","- C72 H144 N16 O4 Zr4 -","4","0.5","","Ayinla, Rashidat O.; Schafer, Laurel L.","Intermolecular hydroamination of oxygen-substituted allenes. New routes for the synthesis of N,O-chelated zirconium and titanium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7769","7776","10.1039/c1dt10448a","","","0.71073","MoKα","","0.0401","0.027","","","0.0645","0.0712","","","","","","1.044","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016227","17.289","0.002","13.0762","0.0013","9.6677","0.0008","90","","90","","90","","2185.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H36 N4 O Ti -","- C18 H36 N4 O Ti -","- C72 H144 N16 O4 Ti4 -","4","0.5","","Ayinla, Rashidat O.; Schafer, Laurel L.","Intermolecular hydroamination of oxygen-substituted allenes. New routes for the synthesis of N,O-chelated zirconium and titanium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7769","7776","10.1039/c1dt10448a","","","0.71073","MoKα","","0.0611","0.0413","","","0.1033","0.1145","","","","","","1.046","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016228","16.582","0.0015","17.7264","0.0004","18.8172","0.0015","90","","90","","90","","5531.1","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H42 N4 O Zr -","- C25 H42 N4 O Zr -","- C200 H336 N32 O8 Zr8 -","8","1","","Ayinla, Rashidat O.; Schafer, Laurel L.","Intermolecular hydroamination of oxygen-substituted allenes. New routes for the synthesis of N,O-chelated zirconium and titanium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7769","7776","10.1039/c1dt10448a","","","0.71073","MoKα","","0.0579","0.0303","","","0.0681","0.0764","","","","","","1.013","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016229","10.9269","0.0007","12.7792","0.0008","14.1384","0.0008","88.639","0.003","85.623","0.003","89.851","0.003","1967.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H41 B F15 O2 P -","- C41 H41 B F15 O2 P -","- C82 H82 B2 F30 O4 P2 -","2","1","","Kreitner, Christoph; Geier, Stephen J.; Stanlake, Louisa J. E.; Caputo, Christopher B.; Stephan, Douglas W.","Ring openings of lactone and ring contractions of lactide by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6771","6777","10.1039/c1dt10449g","","","0.71073","MoKα","","0.0618","0.041","","","0.1047","0.1157","","","","","","1.035","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016230","21.3723","0.0009","17.9944","0.0007","17.232","0.0007","90","","96.933","0.002","90","","6578.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 B F15 N O3 -","- C34 H25 B F15 N O3 -","- C272 H200 B8 F120 N8 O24 -","8","2","","Kreitner, Christoph; Geier, Stephen J.; Stanlake, Louisa J. E.; Caputo, Christopher B.; Stephan, Douglas W.","Ring openings of lactone and ring contractions of lactide by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6771","6777","10.1039/c1dt10449g","","","0.71073","MoKα","","0.0834","0.0434","","","0.0902","0.1058","","","","","","1.009","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016231","10.56","0.0005","12.7148","0.0006","14.0599","0.0007","73.412","0.002","69.794","0.002","80.586","0.002","1693.45","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27 B F15 N O3 -","- C35 H27 B F15 N O3 -","- C70 H54 B2 F30 N2 O6 -","2","1","","Kreitner, Christoph; Geier, Stephen J.; Stanlake, Louisa J. E.; Caputo, Christopher B.; Stephan, Douglas W.","Ring openings of lactone and ring contractions of lactide by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6771","6777","10.1039/c1dt10449g","","","0.71073","MoKα","","0.0725","0.044","","","0.0996","0.1133","","","","","","1.023","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016232","11.4886","0.0008","14.9489","0.0011","20.7973","0.0015","90","","104.278","0.003","90","","3461.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H26 B F15 N O2 -","- C35.5 H26 B F15 N O2 -","- C142 H104 B4 F60 N4 O8 -","4","1","","Kreitner, Christoph; Geier, Stephen J.; Stanlake, Louisa J. E.; Caputo, Christopher B.; Stephan, Douglas W.","Ring openings of lactone and ring contractions of lactide by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6771","6777","10.1039/c1dt10449g","","","0.71073","MoKα","","0.093","0.0496","","","0.1198","0.1389","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016233","10.026","0.002","12.823","0.003","14.762","0.003","90.192","0.008","102.53","0.008","94.474","0.007","1846.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 B F15 O4 P -","- C36 H35 B F15 O4 P -","- C72 H70 B2 F30 O8 P2 -","2","1","","Kreitner, Christoph; Geier, Stephen J.; Stanlake, Louisa J. E.; Caputo, Christopher B.; Stephan, Douglas W.","Ring openings of lactone and ring contractions of lactide by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6771","6777","10.1039/c1dt10449g","","","0.71073","MoKα","","0.2735","0.0812","","","0.165","0.2325","","","","","","0.943","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016234","10.214","0.0011","9.9229","0.001","13.7281","0.0016","90","","102.701","0.005","90","","1357.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi Ce O9 W2 -","- Bi Ce O9 W2 -","- Bi8 Ce8 O72 W16 -","8","1","","Li, Ye-Yu; Cheng, Wen-Dan; Zhang, Hao; Lin, Chen-Sheng; Zhang, Wei-Long; Geng, Lei; Chai, Guo-Liang; Luo, Zhong-Zhen; He, Zhang-Zhen","A series of novel rare-earth bismuth tungstate compounds LnBiW(2)O(9) (Ln = Ce, Sm, Eu, Er): Synthesis, crystal structure, optical and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7357","7364","10.1039/c1dt10460h","","","0.71073","MoKα","","0.0408","0.0377","","","0.0973","0.0991","","","","","","1.025","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016235","32.112","0.002","5.6402","0.0002","3.9579","0.0002","90","","90","","90","","716.85","0.06","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Er O9 W2 -","- Bi Er O9 W2 -","- Bi4 Er4 O36 W8 -","4","0.5","","Li, Ye-Yu; Cheng, Wen-Dan; Zhang, Hao; Lin, Chen-Sheng; Zhang, Wei-Long; Geng, Lei; Chai, Guo-Liang; Luo, Zhong-Zhen; He, Zhang-Zhen","A series of novel rare-earth bismuth tungstate compounds LnBiW(2)O(9) (Ln = Ce, Sm, Eu, Er): Synthesis, crystal structure, optical and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7357","7364","10.1039/c1dt10460h","","","0.71073","MoKα","","0.0383","0.0354","","","0.0879","0.09","","","","","","1.075","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016236","32.295","0.003","5.6524","0.0007","3.9845","0.0004","90","","90","","90","","727.35","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Eu O9 W2 -","- Bi Eu O9 W2 -","- Bi4 Eu4 O36 W8 -","4","0.5","","Li, Ye-Yu; Cheng, Wen-Dan; Zhang, Hao; Lin, Chen-Sheng; Zhang, Wei-Long; Geng, Lei; Chai, Guo-Liang; Luo, Zhong-Zhen; He, Zhang-Zhen","A series of novel rare-earth bismuth tungstate compounds LnBiW(2)O(9) (Ln = Ce, Sm, Eu, Er): Synthesis, crystal structure, optical and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7357","7364","10.1039/c1dt10460h","","","0.71073","MoKα","","0.0343","0.0318","","","0.0721","0.074","","","","","","1.006","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016237","32.38","0.02","5.664","0.004","3.996","0.003","90","","90","","90","","732.9","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi O9 Sm W2 -","- Bi O9 Sm W2 -","- Bi4 O36 Sm4 W8 -","4","0.5","","Li, Ye-Yu; Cheng, Wen-Dan; Zhang, Hao; Lin, Chen-Sheng; Zhang, Wei-Long; Geng, Lei; Chai, Guo-Liang; Luo, Zhong-Zhen; He, Zhang-Zhen","A series of novel rare-earth bismuth tungstate compounds LnBiW(2)O(9) (Ln = Ce, Sm, Eu, Er): Synthesis, crystal structure, optical and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7357","7364","10.1039/c1dt10460h","","","0.71073","MoKα","","0.045","0.0424","","","0.1013","0.1032","","","","","","1.009","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016238","20.2865","0.0002","20.682","0.0002","24.1236","0.0003","70.518","0.001","88.052","0.001","61.188","0.001","8261.71","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C176 H69 B3 Cl13 F60 N9 Pt3 -","- C176 H69 B3 Cl13 F60 N9 Pt3 -","- C352 H138 B6 Cl26 F120 N18 Pt6 -","2","1","","Huo, Jianqiang; Arulsamy, Navamoney; Hoberg, John O.","Facile synthesis and platinum complexes of 4',5,5''-trisubstituted-2,2':6',2''-terpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7534","7540","10.1039/c1dt10465a","","","0.71073","MoKα","","0.1282","0.0665","","","0.1673","0.1992","","","","","","1.026","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016239","11.1398","0.0002","13.2632","0.0002","16.2501","0.0002","68.13","0.001","73.387","0.001","82.659","0.001","2134.53","0.06","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H18 B Br Cl F20 N3 O Pt -","- C46 H18 B Br Cl F20 N3 O Pt -","- C92 H36 B2 Br2 Cl2 F40 N6 O2 Pt2 -","2","1","","Huo, Jianqiang; Arulsamy, Navamoney; Hoberg, John O.","Facile synthesis and platinum complexes of 4',5,5''-trisubstituted-2,2':6',2''-terpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7534","7540","10.1039/c1dt10465a","","","0.71073","MoKα","","0.0307","0.0259","","","0.0695","0.0717","","","","","","1.034","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016240","8.2728","0.0003","9.4651","0.0004","16.8992","0.0006","80.2807","0.001","82.631","0.0011","62.5498","0.001","1155.49","0.08","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl2 N3 Ti -","- C24 H27 Cl2 N3 Ti -","- C48 H54 Cl4 N6 Ti2 -","2","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Zhang, Shu","Effect of ligand substituents in olefin polymerisation by half-sandwich titanium complexes containing monoanionic iminoimidazolidide ligands-MAO catalyst systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7842","7849","10.1039/c1dt10467e","","","0.71075","MoKα","","","0.0333","","","","0.0997","","","","","","1.112","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016241","9.0816","0.0003","12.713","0.0005","18.7394","0.0007","90","","90","","90","","2163.55","0.14","123.1","","123.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl2 N3 Ti -","- C20 H31 Cl2 N3 Ti -","- C80 H124 Cl8 N12 Ti4 -","4","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Zhang, Shu","Effect of ligand substituents in olefin polymerisation by half-sandwich titanium complexes containing monoanionic iminoimidazolidide ligands-MAO catalyst systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7842","7849","10.1039/c1dt10467e","","","0.71075","MoKα","","","0.0352","","","","0.0854","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016242","12.8021","0.0003","17.5227","0.0004","8.744","0.0002","90","","90","","90","","1961.52","0.08","123.1","","123.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H27 Cl2 N3 Ti -","- C16 H27 Cl2 N3 Ti -","- C64 H108 Cl8 N12 Ti4 -","4","0.5","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Zhang, Shu","Effect of ligand substituents in olefin polymerisation by half-sandwich titanium complexes containing monoanionic iminoimidazolidide ligands-MAO catalyst systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7842","7849","10.1039/c1dt10467e","","","0.71075","MoKα","","","0.0369","","","","0.0993","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016243","22.6994","0.0002","17.4801","0.0001","18.6265","0.0001","90","","90","","90","","7390.77","0.09","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C69 H54 B F24 P2 Rh S -","- C69 H54 B F24 P2 Rh S -","- C276 H216 B4 F96 P8 Rh4 S4 -","4","1","","Dallanegra, Romaeo; Pilgrim, Ben S.; Chaplin, Adrian B.; Donohoe, Timothy J.; Weller, Andrew S.","Dehydrogenation of cyclic thioethers bound to a [Rh(diphosphine)](+) fragment.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6626","6628","10.1039/c1dt10503e","","","0.71073","MoKα","","0.0506","0.0421","","","0.1098","0.116","","","","","","1.037","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016244","7.2969","0.0009","10.6713","0.0013","8.8333","0.0011","90","","113.331","0.003","90","","631.58","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","x82839","","","- C5 H14 As2 B9 Co -","- C5 H14 As2 B9.0038 Co -","- C10 H28 As4 B18.0076 Co2 -","2","1","","McLellan, R.; Boag, N. M.; Dodds, K.; Ellis, D.; Macgregor, S. A.; McKay, D.; Masters, S. L.; Noble-Eddy, R; Platt, N. P.; Rankin, D. W. H.; Robertson, H. E.; Rosair, G. M.; Welch, A. J.","New chemistry of 1,2-closo-P(2)B(10)H(10) and 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7181","7192","10.1039/c1dt10540j","","","0.71073","MoKα","","0.0214","0.0191","","","0.0429","0.0436","","","","","","1.047","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016245","10.7147","0.0017","13.502","0.002","20.952","0.004","90","","97.604","0.006","90","","3004.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 As2 B9 Co -","- C9 H16 As2 B9 Co -","- C72 H128 As16 B72 Co8 -","8","2","","McLellan, R.; Boag, N. M.; Dodds, K.; Ellis, D.; Macgregor, S. A.; McKay, D.; Masters, S. L.; Noble-Eddy, R; Platt, N. P.; Rankin, D. W. H.; Robertson, H. E.; Rosair, G. M.; Welch, A. J.","New chemistry of 1,2-closo-P(2)B(10)H(10) and 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7181","7192","10.1039/c1dt10540j","","","0.71073","MoKα","","0.0861","0.048","","","0.1054","0.1226","","","","","","1.13","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016246","14.5722","0.0011","7.7537","0.0006","31.641","0.003","90","","94.955","0.004","90","","3561.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H23 As2 B9 Ru -","- C10 H23 As2 B9 Ru -","- C80 H184 As16 B72 Ru8 -","8","2","","McLellan, R.; Boag, N. M.; Dodds, K.; Ellis, D.; Macgregor, S. A.; McKay, D.; Masters, S. L.; Noble-Eddy, R; Platt, N. P.; Rankin, D. W. H.; Robertson, H. E.; Rosair, G. M.; Welch, A. J.","New chemistry of 1,2-closo-P(2)B(10)H(10) and 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7181","7192","10.1039/c1dt10540j","","","0.71073","MoKα","","0.0889","0.0437","","","0.0858","0.098","","","","","","1.004","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016247","7.22","0.005","10.652","0.008","8.821","0.006","90","","113.024","0.012","90","","624.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H14 B9 Co P2 -","- C5 H14 B9 Co P2 -","- C10 H28 B18 Co2 P4 -","2","0.5","","McLellan, R.; Boag, N. M.; Dodds, K.; Ellis, D.; Macgregor, S. A.; McKay, D.; Masters, S. L.; Noble-Eddy, R; Platt, N. P.; Rankin, D. W. H.; Robertson, H. E.; Rosair, G. M.; Welch, A. J.","New chemistry of 1,2-closo-P(2)B(10)H(10) and 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7181","7192","10.1039/c1dt10540j","","","0.71073","MoKα","","0.0474","0.0449","","","0.109","0.1104","","","","","","1.026","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016248","7.1618","0.0007","9.2091","0.0011","11.859","0.0014","75.533","0.008","85.445","0.007","78.114","0.007","740.78","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 B9 Co P2 -","- C9 H16 B9 Co P2 -","- C18 H32 B18 Co2 P4 -","2","1","","McLellan, R.; Boag, N. M.; Dodds, K.; Ellis, D.; Macgregor, S. A.; McKay, D.; Masters, S. L.; Noble-Eddy, R; Platt, N. P.; Rankin, D. W. H.; Robertson, H. E.; Rosair, G. M.; Welch, A. J.","New chemistry of 1,2-closo-P(2)B(10)H(10) and 1,2-closo-As(2)B(10)H(10); in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7181","7192","10.1039/c1dt10540j","","","0.71073","MoKα","","0.0536","0.0366","","","0.082","0.0882","","","","","","1.087","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016249","16.4206","0.0018","12.2146","0.0014","17.766","0.002","90","","94.628","0.002","90","","3551.7","0.7","100","2","100","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C22 H39 Cl Cu3 F9 N3 O11 Zn -","- C22 H39 Cl Cu3 F9 N3 O11 Zn -","- C88 H156 Cl4 Cu12 F36 N12 O44 Zn4 -","4","0.5","","Sultan, Muhammad; Tahir, Asif Ali; Mazhar, Muhammad; Upul Wijayantha, K. G.; Zeller, Matthias","Isostructural copper-zinc mixed metal complexes for single source deposition of Cu-ZnO composite thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7889","7897","10.1039/c1dt10560d","","","0.71073","MoKα","","0.0298","0.0258","","","0.0601","0.0648","","","","","","1.071","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016250","10.183","0.002","10.293","0.002","18.243","0.004","85.435","0.003","85.286","0.003","72.248","0.003","1811.9","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H39 Br Cu3 F9 N3 O11 Zn -","- C22 H39 Br Cu3 F9 N3 O11 Zn -","- C44 H78 Br2 Cu6 F18 N6 O22 Zn2 -","2","1","","Sultan, Muhammad; Tahir, Asif Ali; Mazhar, Muhammad; Upul Wijayantha, K. G.; Zeller, Matthias","Isostructural copper-zinc mixed metal complexes for single source deposition of Cu-ZnO composite thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7889","7897","10.1039/c1dt10560d","","","0.71073","MoKα","","0.0567","0.0462","","","0.1174","0.1235","","","","","","1.043","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016251","16.4574","0.0008","12.2853","0.0008","35.696","0.002","90","","94.671","0.001","90","","7193.2","0.7","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","y","y","","- C22 H39 Br0.71 Cl0.29 Cu3 F9 N3 O11 Zn -","- C22 H39 Br0.708 Cl0.292 Cu3 F9 N3 O11 Zn -","- C176 H312 Br5.664 Cl2.336 Cu24 F72 N24 O88 Zn8 -","8","1","","Sultan, Muhammad; Tahir, Asif Ali; Mazhar, Muhammad; Upul Wijayantha, K. G.; Zeller, Matthias","Isostructural copper-zinc mixed metal complexes for single source deposition of Cu-ZnO composite thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7889","7897","10.1039/c1dt10560d","","","0.71073","MoKα","","0.0403","0.034","","","0.0696","0.0713","","","","","","1.127","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016252","10.8076","0.0003","13.5369","0.0004","16.5304","0.0005","68.814","0.001","82.764","0.002","72.522","0.001","2150.45","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Au Cl6 Cu N2 P2 -","- C44 H36 Au Cl6 Cu N2 P2 -","- C88 H72 Au2 Cl12 Cu2 N4 P4 -","2","1","","Koshevoy, Igor O.; Shakirova, Julia R.; Melnikov, Alexei S.; Haukka, Matti; Tunik, Sergey P.; Pakkanen, Tapani A.","Coinage metal complexes of 2-diphenylphosphino-3-methylindole.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7927","7933","10.1039/c1dt10564g","","","0.71073","MoKα","","0.0417","0.0315","","","0.0652","0.0691","","","","","","1.022","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016253","26.223","0.002","8.9783","0.0008","18.0291","0.0016","90","","107.87","0.005","90","","4039.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Ag2 Cl4 N2 P2 -","- C44 H38 Ag2 Cl4 N2 P2 -","- C176 H152 Ag8 Cl16 N8 P8 -","4","0.5","","Koshevoy, Igor O.; Shakirova, Julia R.; Melnikov, Alexei S.; Haukka, Matti; Tunik, Sergey P.; Pakkanen, Tapani A.","Coinage metal complexes of 2-diphenylphosphino-3-methylindole.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7927","7933","10.1039/c1dt10564g","","","0.71073","MoKα","","0.058","0.0454","","","0.1119","0.1193","","","","","","1.052","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016254","12.8508","0.0005","16.2521","0.0006","18.9675","0.0007","98.284","0.002","92.794","0.002","95.373","0.002","3895.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H70 Ag2 Cl6 Cu2 N4 P4 -","- C86 H70 Ag2 Cl6 Cu2 N4 P4 -","- C172 H140 Ag4 Cl12 Cu4 N8 P8 -","2","1","","Koshevoy, Igor O.; Shakirova, Julia R.; Melnikov, Alexei S.; Haukka, Matti; Tunik, Sergey P.; Pakkanen, Tapani A.","Coinage metal complexes of 2-diphenylphosphino-3-methylindole.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7927","7933","10.1039/c1dt10564g","","","0.71073","MoKα","","0.0965","0.051","","","0.1058","0.1231","","","","","","1.005","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016255","10.3455","0.0006","21.1221","0.0012","18.069","0.001","90","","92.649","0.001","90","","3944.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 Cl2 Mn N13 O8 -","- C34 H32 Cl2 Mn N13 O8 -","- C136 H128 Cl8 Mn4 N52 O32 -","4","1","","Dube, Koustubh S.; Harrop, Todd C.","Structure and properties of an eight-coordinate Mn(ii) complex that demonstrates a high water relaxivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7496","7498","10.1039/c1dt10579e","","","0.71073","MoKα","","0.1381","0.0647","","","0.167","0.2102","","","","","","1.003","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016256","8.0423","0.0003","8.6606","0.0003","36.0862","0.0009","90","","90","","90","","2513.45","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N O Pd S2 -","- C31 H23 N O Pd S2 -","- C124 H92 N4 O4 Pd4 S8 -","4","1","","Lentijo, Sergio; Miguel, Jesús A; Espinet, Pablo","Cyclopalladated complexes of perylene imine: mononuclear complexes with five- or six-membered metallacycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7602","7609","10.1039/c1dt10598a","","","0.71073","MoKα","","0.0295","0.0255","","","0.0488","0.0496","","","","","","0.997","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016257","8.2882","0.0015","13.595","0.002","13.81","0.002","100.691","0.003","97.53","0.003","95.454","0.004","1504.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Cl3 N P Pd -","- C33 H31 Cl3 N P Pd -","- C66 H62 Cl6 N2 P2 Pd2 -","2","1","","Lentijo, Sergio; Miguel, Jesús A; Espinet, Pablo","Cyclopalladated complexes of perylene imine: mononuclear complexes with five- or six-membered metallacycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7602","7609","10.1039/c1dt10598a","","","0.71073","MoKα","","0.1213","0.0544","","","0.1281","0.1628","","","","","","1","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016258","8.86","0.004","11.554","0.006","14.64","0.007","71.054","0.008","87.763","0.009","84.421","0.009","1410.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N2 Pd S2 -","- C34 H30 N2 Pd S2 -","- C68 H60 N4 Pd2 S4 -","2","1","","Lentijo, Sergio; Miguel, Jesús A; Espinet, Pablo","Cyclopalladated complexes of perylene imine: mononuclear complexes with five- or six-membered metallacycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7602","7609","10.1039/c1dt10598a","","","0.71073","MoKα","","0.0429","0.0315","","","0.0784","0.0854","","","","","","1.077","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016259","7.834","0.003","10.954","0.004","15.586","0.005","94.315","0.006","103.724","0.006","106.064","0.006","1234.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 N O Pd S2 -","- C31 H23 N O Pd S2 -","- C62 H46 N2 O2 Pd2 S4 -","2","1","","Lentijo, Sergio; Miguel, Jesús A; Espinet, Pablo","Cyclopalladated complexes of perylene imine: mononuclear complexes with five- or six-membered metallacycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7602","7609","10.1039/c1dt10598a","","","0.71073","MoKα","","0.0992","0.045","","","0.0953","0.1294","","","","","","1.039","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016260","13.5102","0.0005","19.4031","0.0006","20.6142","0.0007","90","","90","","90","","5403.8","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H21 F6 N5 O3 P Re -","- C24 H21 F6 N5 O3 P Re -","- C192 H168 F48 N40 O24 P8 Re8 -","8","1","","Uppal, Baljinder S.; Booth, Rebecca K.; Ali, Noreen; Lockwood, Cindy; Rice, Craig R.; Elliott, Paul I. P.","Synthesis and characterisation of luminescent rhenium tricarbonyl complexes with axially coordinated 1,2,3-triazole ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7610","7616","10.1039/c1dt10634a","","","0.71073","MoKα","","0.0568","0.0376","","","0.0961","0.1145","","","","","","0.947","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016261","36.1896","0.0014","8.5518","0.0003","17.3133","0.0007","90","","116.081","0.001","90","","4812.6","0.3","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F6 N5 O3 P Re -","- C22 H17 F6 N5 O3 P Re -","- C176 H136 F48 N40 O24 P8 Re8 -","8","1","","Uppal, Baljinder S.; Booth, Rebecca K.; Ali, Noreen; Lockwood, Cindy; Rice, Craig R.; Elliott, Paul I. P.","Synthesis and characterisation of luminescent rhenium tricarbonyl complexes with axially coordinated 1,2,3-triazole ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7610","7616","10.1039/c1dt10634a","","","0.71073","MoKα","","0.0288","0.021","","","0.0457","0.0484","","","","","","1.031","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016262","11.275","0.004","10.629","0.004","21.731","0.008","90","","102.135","0.006","90","","2546.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O11 Re2 -","- C22 H14 N4 O11 Re2 -","- C88 H56 N16 O44 Re8 -","4","1","","Qayyum, Hira; Herrick, Richard S.; Ziegler, Christopher J.","Synthesis of dimeric Re(I) amino acid conjugate complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7442","7445","10.1039/c1dt10665a","","","0.71073","MoKα","","0.1104","0.0696","","","0.1544","0.17","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016263","9.859","0.003","15.088","0.005","17.416","0.006","90","","90","","90","","2590.7","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N4 O10 Re2 -","- C24 H18 N4 O10 Re2 -","- C96 H72 N16 O40 Re8 -","4","1","","Qayyum, Hira; Herrick, Richard S.; Ziegler, Christopher J.","Synthesis of dimeric Re(I) amino acid conjugate complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7442","7445","10.1039/c1dt10665a","","","0.71073","MoKα","","0.0637","0.0486","","","0.1022","0.1091","","","","","","0.911","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016264","27.3497","0.0005","12.7238","0.0002","21.1149","0.0004","90","","95.083","0.002","90","","7318.9","0.2","140","1","140","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","HB(C3H3N2)3Ti(C2H6N)2NH2B(C6F5)3","","","- C31 H24 B2 F15 N9 Ti -","- C31 H24 B2 F15 N9 Ti -","- C248 H192 B16 F120 N72 Ti8 -","8","1","","Fuller, Anna-Marie; Hughes, David L.; Lancaster, Simon J.","Tris(pyrazolyl)borate amidoborane complexes of the group 4 metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7434","7441","10.1039/c1dt10709g","","","0.71073","Mo-Kα","","0.0682","0.0329","","","0.0715","0.0826","","","","","","0.937","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016265","12.696","0.0004","24.1645","0.0008","14.1775","0.0005","90","","105.824","0.003","90","","4184.7","0.2","140","1","140","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","HB(C3H3N2)3Zr(N(CH3)2)2NH2B(C6F5)3, c6 H14","","","- C37 H38 B2 F15 N9 Zr -","- C37 H24 B2 F15 N9 Zr -","- C148 H96 B8 F60 N36 Zr4 -","4","1","","Fuller, Anna-Marie; Hughes, David L.; Lancaster, Simon J.","Tris(pyrazolyl)borate amidoborane complexes of the group 4 metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7434","7441","10.1039/c1dt10709g","","","0.71073","Mo-Kα","","0.0818","0.0519","","","0.0882","0.0987","","","","","","1.079","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016266","12.924","0.0002","23.2383","0.0003","13.4537","0.0003","90","","103.201","0.002","90","","3933.8","0.12","140","1","140","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","HB(C3H3N2)3Zr(N(CH3)2)2NH2B(C6F5)3 CH2Cl2","","","- C32 H26 B2 Cl2 F15 N9 Zr -","- C32 H26 B2 Cl2 F15 N9 Zr -","- C128 H104 B8 Cl8 F60 N36 Zr4 -","4","1","","Fuller, Anna-Marie; Hughes, David L.; Lancaster, Simon J.","Tris(pyrazolyl)borate amidoborane complexes of the group 4 metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7434","7441","10.1039/c1dt10709g","","","0.71073","Mo-Kα","","0.059","0.0317","","","0.0698","0.078","","","","","","0.956","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016267","11.2726","0.0005","11.8733","0.0006","17.9169","0.0008","80.54","0.004","89.161","0.004","81.252","0.004","2337.79","0.19","140","1","140","1","","","","","","","","6","P -1","-P 1","2","HB(C5H7N2)3Zr(NC2H6)2NH2B(C6F5)3.C5H12","","","- C42 H48 B2 F15 N9 Zr -","- C42 H36 B2 F15 N9 Zr -","- C84 H72 B4 F30 N18 Zr2 -","2","1","","Fuller, Anna-Marie; Hughes, David L.; Lancaster, Simon J.","Tris(pyrazolyl)borate amidoborane complexes of the group 4 metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7434","7441","10.1039/c1dt10709g","","","0.71073","Mo-Kα","","0.171","0.0862","","","0.1182","0.1462","","","","","","1.068","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016268","12.3924","0.0004","14.1267","0.0004","18.9933","0.0006","85.301","0.001","73.171","0.001","66.34","0.001","2912.89","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H108 Mn12 N24 O42 -","- C94 H108 Mn12 N24 O42 -","- C94 H108 Mn12 N24 O42 -","1","0.5","","Cordero, Beatriz; Roubeau, Olivier; Teat, Simon J.; Escuer, Albert","Building of a novel Mn(12) Single Molecule Magnet by assembly of anisotropic {Mn(3)(μ(3)-O)(salox)(3)}(+) triangles.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7127","7129","10.1039/c1dt10782h","","","0.7749","synchrotron","","0.0407","0.038","","","0.1086","0.1107","","","","","","1.048","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016269","25.613","0.003","9.3349","0.0009","13.9838","0.0014","90","","98.267","0.001","90","","3308.7","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H27 Cl2 P2 Ta -","- C9 H27 Cl2 P2 Ta -","- C72 H216 Cl16 P16 Ta8 -","8","1","","Sattler, Aaron; Ruccolo, Serge; Parkin, Gerard","Structural characterization of TaMe(3)Cl(2) and Ta(PMe(3))(2)Me(3)Cl(2), a pair of five and seven-coordinate d(0) tantalum methyl compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7777","7782","10.1039/c1dt10806a","","","0.71073","MoKα","","0.0278","0.0207","","","0.0422","0.0444","","","","","","1.042","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016270","7.431","0.002","7.431","0.002","8.058","0.002","90","","90","","120","","385.35","0.18","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C3 H9 Cl2 Ta -","- C3 H9 Cl2 Ta -","- C6 H18 Cl4 Ta2 -","2","0.0833333","","Sattler, Aaron; Ruccolo, Serge; Parkin, Gerard","Structural characterization of TaMe(3)Cl(2) and Ta(PMe(3))(2)Me(3)Cl(2), a pair of five and seven-coordinate d(0) tantalum methyl compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7777","7782","10.1039/c1dt10806a","","","0.71073","MoKα","","0.0141","0.0128","","","0.0325","0.0333","","","","","","1.245","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016271","9.6349","0.0011","10.3933","0.0012","14.1806","0.0017","76.894","0.002","81.832","0.002","75.707","0.002","1334.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H37 F Fe N P3 -","- C26 H37 F Fe N P3 -","- C52 H74 F2 Fe2 N2 P6 -","2","1","","Xu, Xiaofeng; Sun, Hongjian; Shi, Yujie; Jia, Jiong; Li, Xiaoyan","Imine-assisted C-F bond activation by electron-rich iron complexes supported by trimethylphosphine.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7866","7872","10.1039/c1dt10843c","","","0.71073","MoKα","","0.0663","0.0457","","","0.1217","0.1426","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016272","10.564","0.002","23.134","0.005","14.585","0.003","90","","90.696","0.004","90","","3564.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 F2 Fe N2 P2 -","- C40 H40 F2 Fe N2 P2 -","- C160 H160 F8 Fe4 N8 P8 -","4","1","","Xu, Xiaofeng; Sun, Hongjian; Shi, Yujie; Jia, Jiong; Li, Xiaoyan","Imine-assisted C-F bond activation by electron-rich iron complexes supported by trimethylphosphine.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7866","7872","10.1039/c1dt10843c","","","0.71073","MoKα","","0.0977","0.0434","","","0.072","0.0851","","","","","","0.757","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016273","9.6956","0.0014","9.9219","0.0014","16.955","0.002","90.243","0.002","91.242","0.002","106.088","0.002","1566.7","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 F8 Fe N2 P2 -","- C32 H30 F8 Fe N2 P2 -","- C64 H60 F16 Fe2 N4 P4 -","2","1","","Xu, Xiaofeng; Sun, Hongjian; Shi, Yujie; Jia, Jiong; Li, Xiaoyan","Imine-assisted C-F bond activation by electron-rich iron complexes supported by trimethylphosphine.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7866","7872","10.1039/c1dt10843c","","","0.71073","MoKα","","0.0992","0.0481","","","0.1044","0.1259","","","","","","1.001","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016274","10.4588","0.001","11.1141","0.001","14.4844","0.0013","96.805","0.001","93.337","0.001","110.731","0.001","1554.4","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 F6 Fe N4 P2 -","- C24 H34 F6 Fe N4 P2 -","- C48 H68 F12 Fe2 N8 P4 -","2","1","","Xu, Xiaofeng; Sun, Hongjian; Shi, Yujie; Jia, Jiong; Li, Xiaoyan","Imine-assisted C-F bond activation by electron-rich iron complexes supported by trimethylphosphine.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7866","7872","10.1039/c1dt10843c","","","0.71073","MoKα","","0.0369","0.0315","","","0.0908","0.0941","","","","","","1.082","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016275","10.5609","0.0006","14.0596","0.0007","19.888","0.001","100.191","0.004","97.361","0.004","97.999","0.004","2842.6","0.3","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C100 H28 Cl Ni P2 -","- C100 H28 Cl Ni P2 -","- C200 H56 Cl2 Ni2 P4 -","2","1","","Xu, Xiaofeng; Sun, Hongjian; Shi, Yujie; Jia, Jiong; Li, Xiaoyan","Imine-assisted C-F bond activation by electron-rich iron complexes supported by trimethylphosphine.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7866","7872","10.1039/c1dt10843c","","","0.7107","MoKα","","0.07","0.0558","","","0.1431","0.153","","","","","","1.036","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016276","11.75","0.02","13.87","0.03","14.74","0.03","77.43","0.02","86.74","0.03","64.02","0.04","2106","7","120.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C41 H40 F6 N5 O P Ru S2 -","- C41 H40 F6 N5 O P Ru S2 -","- C82 H80 F12 N10 O2 P2 Ru2 S4 -","2","1","","Teratani, Takuya; Koizumi, Take-Aki; Yamamoto, Takakazu; Tanaka, Koji; Kanbara, Takaki","Deprotonation/protonation of coordinated secondary thioamide units of pincer ruthenium complexes: Modulation of voltammetric and spectroscopic characterization of the pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8879","8886","10.1039/c0dt01283a","","","0.71075","MoKα","","","0.0726","","","","0.1048","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016277","12.5277","0.0015","13.2909","0.0015","13.9813","0.0016","102.749","0.003","93.231","0.003","115.61","0.003","2016.8","0.4","131","","131","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H29 F6 N6 O P Ru S2 -","- C39 H29 F6 N6 O P Ru S2 -","- C78 H58 F12 N12 O2 P2 Ru2 S4 -","2","1","","Teratani, Takuya; Koizumi, Take-Aki; Yamamoto, Takakazu; Tanaka, Koji; Kanbara, Takaki","Deprotonation/protonation of coordinated secondary thioamide units of pincer ruthenium complexes: Modulation of voltammetric and spectroscopic characterization of the pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8879","8886","10.1039/c0dt01283a","","","0.71075","MoKα","","","0.1046","","","","0.2902","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016278","7.991","0.003","11.87","0.004","17.249","0.005","90","","117.599","0.012","90","","1450","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl3 Fe N2 O -","- C11 H16 Cl3 Fe N2 O -","- C44 H64 Cl12 Fe4 N8 O4 -","4","1","","Sundaravel, Karuppasamy; Suresh, Eringathodi; Saminathan, Kolandaivel; Palaniandavar, Mallayan","Iron(III) complexes of N(2)O and N(3)O donor ligands as functional models for catechol dioxygenase enzymes: ether oxygen coordination tunes the regioselectivity and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8092","8107","10.1039/c0dt01598a","","","0.71073","MoKα","","0.1328","0.0931","","","0.2045","0.2225","","","","","","1.093","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016279","12.108","0.0004","16.7012","0.0005","14.2209","0.0005","90","","108.476","0.002","90","","2727.5","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl5 Fe N3 O3.5 -","- C21 H19 Cl5 Fe N3 O3 -","- C84 H76 Cl20 Fe4 N12 O12 -","4","1","","Sundaravel, Karuppasamy; Suresh, Eringathodi; Saminathan, Kolandaivel; Palaniandavar, Mallayan","Iron(III) complexes of N(2)O and N(3)O donor ligands as functional models for catechol dioxygenase enzymes: ether oxygen coordination tunes the regioselectivity and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8092","8107","10.1039/c0dt01598a","","","0.71073","MoKα","","0.0914","0.0643","","","0.1533","0.1641","","","","","","0.946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016280","8.6152","0.0013","14.906","0.002","15.224","0.002","90","","95.299","0.002","90","","1946.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl3 Fe N3 O -","- C17 H21 Cl3 Fe N3 O -","- C68 H84 Cl12 Fe4 N12 O4 -","4","1","","Sundaravel, Karuppasamy; Suresh, Eringathodi; Saminathan, Kolandaivel; Palaniandavar, Mallayan","Iron(III) complexes of N(2)O and N(3)O donor ligands as functional models for catechol dioxygenase enzymes: ether oxygen coordination tunes the regioselectivity and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8092","8107","10.1039/c0dt01598a","","","0.71073","MoKα","","0.0433","0.0367","","","0.0916","0.0955","","","","","","1.037","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016281","12.1129","0.0009","15.7217","0.0011","14.6905","0.0011","90","","108.761","0.001","90","","2649","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br Cl4 Fe N3 O3 -","- C23 H21 Br Cl4 Fe N3 O3 -","- C92 H84 Br4 Cl16 Fe4 N12 O12 -","4","1","","Sundaravel, Karuppasamy; Suresh, Eringathodi; Saminathan, Kolandaivel; Palaniandavar, Mallayan","Iron(III) complexes of N(2)O and N(3)O donor ligands as functional models for catechol dioxygenase enzymes: ether oxygen coordination tunes the regioselectivity and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8092","8107","10.1039/c0dt01598a","","","0.71073","MoKα","","0.0721","0.0534","","","0.1396","0.1506","","","","","","1.069","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016282","8.2392","0.0006","10.8799","0.0008","22.3047","0.0017","90","","99.536","0.001","90","","1971.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl4 Fe2 N6 O11 -","- C34 H42 Cl4 Fe2 N6 O11 -","- C68 H84 Cl8 Fe4 N12 O22 -","2","0.5","","Sundaravel, Karuppasamy; Suresh, Eringathodi; Saminathan, Kolandaivel; Palaniandavar, Mallayan","Iron(III) complexes of N(2)O and N(3)O donor ligands as functional models for catechol dioxygenase enzymes: ether oxygen coordination tunes the regioselectivity and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8092","8107","10.1039/c0dt01598a","","","0.71073","MoKα","","0.0709","0.0662","","","0.1608","0.1647","","","","","","1.086","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016283","13.9198","0.0007","12.9763","0.0007","34.8821","0.0019","90","","97.381","0.001","90","","6248.5","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H50 Mo6 N2 Na6 O47 P4 -","- C8 H18 Mo6 N2 Na6 O47.2 P4 -","- C32 H72 Mo24 N8 Na24 O188.8 P16 -","4","0.5","","Tan, Huaqiao; Chen, Weilin; Liu, Ding; Feng, Xiaojia; Li, Yangguang; Yan, Aixue; Wang, Enbo","Two diphosphonate-functionalized asymmetric polyoxomolybdates with catalytic activity for oxidation of benzyl alcohol to benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8414","8418","10.1039/c0dt01729a","","","0.71073","MoKα","","0.0671","0.0617","","","0.1753","0.1813","","","","","","0.96","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016284","14.263","0.002","14.263","0.002","21.02","0.004","90","","90","","90","","4276.2","1.2","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C16 H66 Mo12 N11 Na O61 P8 -","- C16 H36 Mo12 N11 Na2 O61 P8 -","- C32 H72 Mo24 N22 Na4 O122 P16 -","2","0.25","","Tan, Huaqiao; Chen, Weilin; Liu, Ding; Feng, Xiaojia; Li, Yangguang; Yan, Aixue; Wang, Enbo","Two diphosphonate-functionalized asymmetric polyoxomolybdates with catalytic activity for oxidation of benzyl alcohol to benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8414","8418","10.1039/c0dt01729a","","","0.71073","MoKα","","0.056","0.0483","","","0.1383","0.1443","","","","","","1.057","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016285","14.698","0.0003","7.7505","0.0002","33.6382","0.0008","90","","90","","90","","3831.96","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H23 N5 -","- C22 H23 N5 -","- C176 H184 N40 -","8","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","1.54178","CuKα","","0.0432","0.0382","","","0.0988","0.1024","","","","","","1.02","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016286","10.8094","0.0002","10.9596","0.0002","13.4496","0.0002","84.771","0.001","85.086","0.001","60.919","0.001","1385.1","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Br N5 O4 Re -","- C28 H29 Br N5 O4 Re -","- C56 H58 Br2 N10 O8 Re2 -","2","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","1.54178","CuKα","","0.0173","0.0172","","","0.0446","0.0447","","","","","","1.001","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016287","13.1679","0.0002","13.4486","0.0002","16.2017","0.0002","90","","90","","90","","2869.16","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Br N5 O3 Re -","- C29 H31 Br N5 O3 Re -","- C116 H124 Br4 N20 O12 Re4 -","4","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","1.54178","CuKα","","0.017","0.0168","","","0.0428","0.0429","","","","","","0.992","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016288","8.6364","0.0001","9.6667","0.0001","16.754","0.0002","78.903","0.001","82.459","0.001","78.801","0.001","1340.01","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H23 F6 N5 O3 P Re -","- C25 H23 F6 N5 O3 P Re -","- C50 H46 F12 N10 O6 P2 Re2 -","2","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","1.54178","CuKα","","0.0194","0.0188","","","0.0474","0.0478","","","","","","1.007","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016289","9.4951","0.0001","14.9707","0.0002","22.1068","0.0003","90","","100.119","0.001","90","","3093.56","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 F6 N5 O3 P Re -","- C29 H31 F6 N5 O3 P Re -","- C116 H124 F24 N20 O12 P4 Re4 -","4","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","1.54178","CuKα","","0.0252","0.0219","","","0.0541","0.0554","","","","","","0.992","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016290","30.8054","0.0004","11.4882","0.0002","13.4222","0.0002","90","","94.773","0.001","90","","4733.63","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N5 O3 Re -","- C25 H22 N5 O3 Re -","- C200 H176 N40 O24 Re8 -","8","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","1.54178","CuKα","","0.0285","0.0245","","","0.0679","0.0702","","","","","","0.993","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016291","15.7528","0.0002","13.7305","0.0001","13.7603","0.0001","90","","114.662","0.001","90","","2704.79","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N5 O3 Re -","- C29 H30 N5 O3 Re -","- C116 H120 N20 O12 Re4 -","4","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","1.54178","CuKα","","0.0182","0.0178","","","0.0462","0.0465","","","","","","0.999","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016292","10.9417","0.0003","12.183","0.0002","15.7817","0.0003","73.5426","0.0018","85.7981","0.0019","65.475","0.002","1833.16","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H37 Cl4 I N5 O3 Re -","- C32 H37 Cl4 I N5 O3 Re -","- C64 H74 Cl8 I2 N10 O6 Re2 -","2","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","0.7107","MoKα","","0.0241","0.0191","","","0.0456","0.0463","","","","","","1.04","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016293","20.372","0.002","18.564","0.002","16.544","0.002","90","","119.485","0.002","90","","5446.4","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 F6 N8 O6 Ru S2 -","- C58 H48 F6 N8 O6 Ru S2 -","- C232 H192 F24 N32 O24 Ru4 S8 -","4","0.5","","Tan, Caiping; Wu, Shouhai; Lai, Sensen; Wang, Minxu; Chen, Yu; Zhou, Lingjun; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong","Synthesis, structures, cellular uptake and apoptosis-inducing properties of highly cytotoxic ruthenium-Norharman complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8611","8621","10.1039/c1dt10084j","","","0.71073","MoKα","","0.0677","0.0436","","","0.1055","0.1191","","","","","","1.052","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016294","13.7259","0.0016","21.933","0.002","17.942","0.002","90","","109.69","0.002","90","","5085.6","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 F6 N8 O9 Ru S2 -","- C48 H32 F6 N8 O9 Ru S2 -","- C192 H128 F24 N32 O36 Ru4 S8 -","4","1","","Tan, Caiping; Wu, Shouhai; Lai, Sensen; Wang, Minxu; Chen, Yu; Zhou, Lingjun; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong","Synthesis, structures, cellular uptake and apoptosis-inducing properties of highly cytotoxic ruthenium-Norharman complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8611","8621","10.1039/c1dt10084j","","","0.71073","MoKα","","0.1508","0.1039","","","0.2933","0.3449","","","","","","1.293","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016295","10.452","0.0002","14.1161","0.0003","21.7006","0.0005","90","","92.02","0.002","90","","3199.75","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Cl3 P2 Pd S2 -","- C34 H27 Cl3 P2 Pd S2 -","- C136 H108 Cl12 P8 Pd4 S8 -","4","1","","Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier","Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8912","8921","10.1039/c1dt10118h","","","0.71073","MoKα","","0.092","0.0407","","","0.0699","0.0842","","","","","","0.996","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016296","11.5761","0.0005","24.9932","0.001","14.8809","0.0006","90","","94.803","0.003","90","","4290.3","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52 Cl N O P2 Pd S2 -","- C45 H52 Cl N O P2 Pd S2 -","- C180 H208 Cl4 N4 O4 P8 Pd4 S8 -","4","1","","Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier","Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8912","8921","10.1039/c1dt10118h","","","0.71073","MoKα","","0.1448","0.0539","","","0.1032","0.1372","","","","","","0.987","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016297","11.4556","0.0003","12.5154","0.0003","18.2257","0.0006","102.868","0.002","96.921","0.002","108.763","0.002","2359.21","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Cl3 P3 Pd S2 -","- C52 H42 Cl3 P3 Pd S2 -","- C104 H84 Cl6 P6 Pd2 S4 -","2","1","","Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier","Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8912","8921","10.1039/c1dt10118h","","","0.71073","MoKα","","0.0934","0.0517","","","0.1146","0.1326","","","","","","0.981","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016298","8.9679","0.0012","20.433","0.003","24.908","0.005","90","","94.22","0.012","90","","4551.8","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H41 Cl2 P3 Pd S2 -","- C52 H41 Cl2 P3 Pd S2 -","- C208 H164 Cl8 P12 Pd4 S8 -","4","1","","Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier","Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8912","8921","10.1039/c1dt10118h","","","0.71073","MoKα","","0.1982","0.0749","","","0.1028","0.1368","","","","","","0.931","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016299","12.1914","0.0003","14.4571","0.0003","14.9919","0.0003","110.963","0.001","97.985","0.001","93.245","0.002","2427.34","0.09","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H42 B Cl2 F4 P3 Pd S2 -","- C52 H42 B Cl2 F4 P3 Pd S2 -","- C104 H84 B2 Cl4 F8 P6 Pd2 S4 -","2","1","","Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier","Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8912","8921","10.1039/c1dt10118h","","","0.71073","MoKα","","0.0787","0.0428","","","0.0857","0.0993","","","","","","1.006","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016300","9.3107","0.0002","15.8384","0.0003","20.4529","0.0004","90","","106.571","0.001","90","","2890.85","0.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 P2 S2 -","- C34 H28 P2 S2 -","- C136 H112 P8 S8 -","4","1","","Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier","Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8912","8921","10.1039/c1dt10118h","","","0.71073","MoKα","","0.0821","0.0419","","","0.0804","0.0901","","","","","","0.885","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016301","9.4787","0.0003","33.9812","0.0009","10.6863","0.0003","90","","101.622","0.002","90","","3371.46","0.17","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cl3 P2 Pd S2 -","- C35 H29 Cl3 P2 Pd S2 -","- C140 H116 Cl12 P8 Pd4 S8 -","4","1","","Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier","Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8912","8921","10.1039/c1dt10118h","","","0.71073","MoKα","","0.1236","0.0513","","","0.0901","0.1155","","","","","","0.992","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016302","15.6037","0.0004","27.0324","0.0005","27.9392","0.0005","90","","90","","90","","11784.9","0.4","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LNI2 (MeOH)4(MeCN)2","","","- C68 H68 N6 Ni2 O8 -","- C68 H68 N6 Ni2 O8 -","- C544 H544 N48 Ni16 O64 -","8","2","","Akine, Shigehisa; Shimada, Toshihiko; Nagumo, Hiroki; Nabeshima, Tatsuya","Highly cooperative double metalation of a bis(N(2)O(2)) ligand based on bipyridine-phenol framework driven by intramolecular π-stacking of square planar nickel(ii) complex moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8507","8509","10.1039/c1dt10124b","","","0.71069","MoKα","","0.0451","0.0423","","","0.1122","0.114","","","","","","1.057","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016303","12.9018","0.0011","11.8906","0.001","19.6359","0.0017","90","","95.424","0.002","90","","2998.9","0.4","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 Ir P2 -","- C32 H41 Cl2 Ir P2 -","- C128 H164 Cl8 Ir4 P8 -","4","1","","Musa, Sanaa; Romm, Ronit; Azerraf, Clarite; Kozuch, Sebastian; Gelman, Dmitri","New possible mode of ligand-metal cooperation in PC(sp(3))P pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8760","8763","10.1039/c1dt10167f","","","0.71073","MoKα","","0.0644","0.0485","","","0.1074","0.1133","","","","","","1.041","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016304","14.0962","0.0008","14.021","0.0008","20.134","0.0011","90","","108.268","0.001","90","","3778.8","0.4","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl7 P2 Pt -","- C34 H43 Cl7 P2 Pt -","- C136 H172 Cl28 P8 Pt4 -","4","1","","Musa, Sanaa; Romm, Ronit; Azerraf, Clarite; Kozuch, Sebastian; Gelman, Dmitri","New possible mode of ligand-metal cooperation in PC(sp(3))P pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8760","8763","10.1039/c1dt10167f","","","0.71073","MoKα","","0.036","0.0313","","","0.0761","0.0785","","","","","","1.034","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016305","12.365","0.004","15.097","0.005","18.987","0.006","110.914","0.005","92.567","0.007","91.65","0.006","3303.7","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H40 Cl N Ni P2 -","- C37 H40 Cl N Ni P2 -","- C148 H160 Cl4 N4 Ni4 P8 -","4","2","","Liang, Lan-Chang; Li, Chun-Wei; Lee, Pei-Ying; Chang, Chih-Hsiang; Man Lee, Hon","A terminal nickel(ii) anilide complex featuring an unsymmetrically substituted amido pincer ligand: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9004","9011","10.1039/c1dt10191a","","x-ray","0.71073","MoKα","","0.1945","0.0616","","","0.1268","0.1795","","","","","","0.897","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016306","9.6434","0.001","9.6434","0.001","34.84","0.005","90","","90","","90","","3240","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H20 Cl N3 Pd -","- C16 H20 Cl N3 Pd -","- C128 H160 Cl8 N24 Pd8 -","8","1","","Ren, Peng; Vechorkin, Oleg; Csok, Zsolt; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile","Pd, Pt, and Ru complexes of a pincer bis(amino)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8906","8911","10.1039/c1dt10195a","","","0.71073","MoKα","","0.0364","0.0313","","","0.0523","0.0536","","","","","","1.281","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016307","7.0359","0.0004","14.701","0.0008","19.4779","0.0009","90","","90","","90","","2014.69","0.18","140","2","140","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H20 F3 N3 O3 Pd S -","- C17 H20 F3 N3 O3 Pd S -","- C68 H80 F12 N12 O12 Pd4 S4 -","4","0.5","","Ren, Peng; Vechorkin, Oleg; Csok, Zsolt; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile","Pd, Pt, and Ru complexes of a pincer bis(amino)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8906","8911","10.1039/c1dt10195a","","","0.71073","MoKα","","0.0185","0.0171","","","0.0446","0.0452","","","","","","1.069","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016308","9.63408","0.0001","9.63408","0.0001","34.6217","0.0006","90","","90","","90","","3213.43","0.07","140","2","140","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H20 Cl N3 Pt -","- C16 H20 Cl N3 Pt -","- C128 H160 Cl8 N24 Pt8 -","8","1","","Ren, Peng; Vechorkin, Oleg; Csok, Zsolt; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile","Pd, Pt, and Ru complexes of a pincer bis(amino)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8906","8911","10.1039/c1dt10195a","","","0.71073","MoKα","","0.0222","0.0177","","","0.0313","0.0318","","","","","","0.971","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016309","18.0619","0.0008","17.4995","0.0005","19.9241","0.0008","90","","110.823","0.005","90","","5886.2","0.4","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 Cl N3 P Ru -","- C34 H35 Cl N3 P Ru -","- C272 H280 Cl8 N24 P8 Ru8 -","8","2","","Ren, Peng; Vechorkin, Oleg; Csok, Zsolt; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile","Pd, Pt, and Ru complexes of a pincer bis(amino)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8906","8911","10.1039/c1dt10195a","","","0.71073","MoKα","","0.0985","0.0394","","","0.0513","0.0586","","","","","","0.813","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016310","13.878","0.001","8.3613","0.0006","15.0171","0.001","90","","94.092","0.002","90","","1738.1","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","decamethylferrocene-dichloroonaphthoquinone complex","decamethylferrocene-dichloroonaphthoquinone complex","","- C40 H38 Cl4 Fe O4 -","- C40 H38 Cl4 Fe O4 -","- C80 H76 Cl8 Fe2 O8 -","2","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Azumi, Hiroko","Charge-transfer complexes from decamethylferrocene and 1,4-quinone derivatives: neutral-ionic phase diagrams for metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9221","9228","10.1039/c1dt10200a","","","0.71073","MoKα","","0.0603","0.0486","","","0.1067","0.1121","","","","","","1.094","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016311","14.0046","0.0012","8.4462","0.0007","15.2741","0.0013","90","","95.616","0.001","90","","1798","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","decamethylferrocene-dibromonaphthoquinone complex","decamethylferrocene-dibromonaphthoquinone complex","","- C40 H38 Br4 Fe O4 -","- C40 H38 Br4 Fe O4 -","- C80 H76 Br8 Fe2 O8 -","2","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Azumi, Hiroko","Charge-transfer complexes from decamethylferrocene and 1,4-quinone derivatives: neutral-ionic phase diagrams for metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9221","9228","10.1039/c1dt10200a","","","0.71073","MoKα","","0.0262","0.0214","","","0.0536","0.0552","","","","","","1.077","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016312","13.8088","0.001","8.1646","0.0006","15.0981","0.0011","90","","95.989","0.002","90","","1692.9","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","octamethylferrocene-dibromonaphthoquinone complex","octamethylferrocene-dibromonaphthoquinone complex","","- C38 H32 Cl4 Fe O4 -","- C38 H32 Cl4 Fe O4 -","- C76 H64 Cl8 Fe2 O8 -","2","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Azumi, Hiroko","Charge-transfer complexes from decamethylferrocene and 1,4-quinone derivatives: neutral-ionic phase diagrams for metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9221","9228","10.1039/c1dt10200a","","","0.71073","MoKα","","0.0568","0.0423","","","0.1083","0.1172","","","","","","1.036","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016313","13.7023","0.0007","8.1596","0.0004","15.0503","0.0008","90","","96.185","0.001","90","","1672.91","0.15","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","octamethylferrocene-dibromonaphthoquinone complex","octamethylferrocene-dibromonaphthoquinone complex","","- C38 H32 Cl4 Fe O4 -","- C38 H32 Cl4 Fe O4 -","- C76 H64 Cl8 Fe2 O8 -","2","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Azumi, Hiroko","Charge-transfer complexes from decamethylferrocene and 1,4-quinone derivatives: neutral-ionic phase diagrams for metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9221","9228","10.1039/c1dt10200a","","","0.71073","MoKα","","0.0863","0.0727","","","0.1361","0.1437","","","","","","1.011","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016314","13.846","0.003","8.1681","0.0017","15.11","0.003","90","","96.016","0.002","90","","1699.5","0.6","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","octamethylferrocene-dichloronaphthoquinone complex","octamethylferrocene-dichloronaphthoquinone complex","","- C38 H34 Cl4 Fe O4 -","- C38 H32 Cl4 Fe O4 -","- C76 H64 Cl8 Fe2 O8 -","2","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Azumi, Hiroko","Charge-transfer complexes from decamethylferrocene and 1,4-quinone derivatives: neutral-ionic phase diagrams for metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9221","9228","10.1039/c1dt10200a","","","0.71073","MoKα","","0.0451","0.0376","","","0.0988","0.1039","","","","","","1.048","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016315","7.779","0.001","12.907","0.001","17.537","0.001","90","","96.942","0.008","90","","1747.9","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O2 S4 Se -","- C16 H14 O2 S4 Se -","- C64 H56 O8 S16 Se4 -","4","1","","Kato, Shinzi; Tani, Kazuyasu; Ishida, Masaru; Nonogaki, Junko; Ebihara, Masahiro; Hayashi, Satoko; Nakanishi, Waro; Niyomura, Osamu; Ando, Fumio; Koketsu, Jugo","Synthesis, structures and ab initio studies of selenium and tellurium bis(carbodithioates and carbothioates).","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8156","8169","10.1039/c1dt10208g","","","0.7107","MoKα","","0.1021","0.0377","","","0.0675","0.0836","","","","","","1.017","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016316","7.8898","0.0006","13.0661","0.0009","17.7214","0.0007","90","","97.79","0.005","90","","1810","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O2 S4 Te -","- C16 H14 O2 S4 Te -","- C64 H56 O8 S16 Te4 -","4","1","","Kato, Shinzi; Tani, Kazuyasu; Ishida, Masaru; Nonogaki, Junko; Ebihara, Masahiro; Hayashi, Satoko; Nakanishi, Waro; Niyomura, Osamu; Ando, Fumio; Koketsu, Jugo","Synthesis, structures and ab initio studies of selenium and tellurium bis(carbodithioates and carbothioates).","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8156","8169","10.1039/c1dt10208g","","","0.7107","MoKα","","0.0912","0.0396","","","0.0774","0.095","","","","","","1.056","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016317","7.696","0.005","18.81","0.01","12.268","0.004","90","","99.51","0.04","90","","1751.5","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 S4 Te -","- C16 H14 S4 Te -","- C64 H56 S16 Te4 -","4","1","","Kato, Shinzi; Tani, Kazuyasu; Ishida, Masaru; Nonogaki, Junko; Ebihara, Masahiro; Hayashi, Satoko; Nakanishi, Waro; Niyomura, Osamu; Ando, Fumio; Koketsu, Jugo","Synthesis, structures and ab initio studies of selenium and tellurium bis(carbodithioates and carbothioates).","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8156","8169","10.1039/c1dt10208g","","","0.7107","MoKα","","0.255","0.0558","","","0.0908","0.1351","","","","","","0.932","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016318","14.3962","0.001","6.8838","0.0003","15.891","0.002","90","","109.953","0.007","90","","1480.3","0.2","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl3 N Ta -","- C14 H17 Cl3 N Ta -","- C56 H68 Cl12 N4 Ta4 -","4","1","","Galajov, Miguel; Galindo, Agustín; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar; Parra, Andrés","Synthetic and structural studies of monocyclopentadienyl cyclometalated aryl tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8399","8406","10.1039/c1dt10223k","","x-ray","0.71073","MoKα","","0.0876","0.0469","","","0.0885","0.1111","","","","","","0.886","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016319","6.9267","0.0004","12.01","0.003","12.436","0.0011","98.51","0.03","100.782","0.006","93.191","0.014","1001.4","0.3","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C17 H25 Cl3 N Si Ta -","- C17 H25 Cl3 N Si Ta -","- C34 H50 Cl6 N2 Si2 Ta2 -","2","1","","Galajov, Miguel; Galindo, Agustín; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar; Parra, Andrés","Synthetic and structural studies of monocyclopentadienyl cyclometalated aryl tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8399","8406","10.1039/c1dt10223k","","x-ray","0.71073","MoKα","","0.0545","0.0361","","","0.0698","0.0759","","","","","","0.976","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016320","9.0558","0.0007","14.3574","0.0008","15.7514","0.0015","90","","90","","90","","2048","0.3","200","2","200","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl3 N Ta -","- C19 H27 Cl3 N Ta -","- C76 H108 Cl12 N4 Ta4 -","4","1","","Galajov, Miguel; Galindo, Agustín; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar; Parra, Andrés","Synthetic and structural studies of monocyclopentadienyl cyclometalated aryl tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8399","8406","10.1039/c1dt10223k","","x-ray","0.71073","MoKα","","0.0763","0.0607","","","0.0851","0.0884","","","","","","1.222","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016321","9.305","0.001","12.446","0.0012","19.4031","0.0014","90","","104.615","0.006","90","","2174.4","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cl F3 O5 S Sb -","- C17 H25 Cl F3 O5 S Sb -","- C68 H100 Cl4 F12 O20 S4 Sb4 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.0624","0.0356","","","0.0691","0.0786","","","","","","1.068","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016322","25.3962","0.0007","8.1221","0.0009","14.6069","0.0012","90","","116.012","0.007","90","","2707.8","0.4","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 As Cl O2 -","- C12 H16 As Cl O2 -","- C96 H128 As8 Cl8 O16 -","8","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.2093","0.0672","","","0.0874","0.1217","","","","","","1.054","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016323","17.037","0.0005","7.618","0.002","31.539","0.0014","90","","90","","90","","4093.4","1.1","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H52 As2 Cl2 O8 -","- C40 H47 As2 Cl2 O8 -","- C160 H188 As8 Cl8 O32 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.089","0.0622","","","0.1245","0.1415","","","","","","1.158","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016324","11.525","0.004","10.5691","0.0013","16.038","0.003","90","","122.68","0.018","90","","1644.3","0.8","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 N O Sb -","- C14 H22 Cl2 N O Sb -","- C56 H88 Cl8 N4 O4 Sb4 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.0435","0.0328","","","0.0752","0.0816","","","","","","1.093","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016325","8.0719","0.0006","11.9821","0.0009","13.1989","0.0006","80.579","0.005","79.169","0.004","79.737","0.007","1222.52","0.14","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 As Cl2 O2 -","- C26 H29 As Cl2 O2 -","- C52 H58 As2 Cl4 O4 -","2","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.0525","0.0356","","","0.0748","0.0843","","","","","","1.119","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016326","7.7441","0.0005","11.032","0.0008","12.579","0.0008","74.564","0.005","85.146","0.005","74.351","0.005","997.4","0.12","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C15 H22 Bi Cl F3 N O4 S -","- C15 H22 Bi Cl F3 N O4 S -","- C30 H44 Bi2 Cl2 F6 N2 O8 S2 -","2","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.0832","0.0785","","","0.1921","0.1994","","","","","","1.061","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016327","11.2757","0.0008","10.37","0.0004","16.1121","0.0016","90","","121.939","0.006","90","","1598.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 As Cl2 N O -","- C14 H22 As Cl2 N O -","- C56 H88 As4 Cl8 N4 O4 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.0626","0.0408","","","0.0851","0.0961","","","","","","1.105","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016328","9.1429","0.0007","11.978","0.0004","15.2951","0.0009","71.583","0.006","81.044","0.006","87.254","0.007","1569.85","0.17","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C17 H38 B11 Bi Cl5 N O -","- C17 H38 B11 Bi Cl5 N O -","- C34 H76 B22 Bi2 Cl10 N2 O2 -","2","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.0368","0.0303","","","0.0696","0.0734","","","","","","1.072","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016329","9.21985","0.00004","11.794","0.0007","17.0903","0.0011","90","","112.714","0.004","90","","1714.25","0.16","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Bi Cl2 N O -","- C14 H22 Bi Cl2 N O -","- C56 H88 Bi4 Cl8 N4 O4 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.0564","0.0423","","","0.0927","0.1023","","","","","","1.123","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016330","9.587","0.0003","12.0591","0.0006","13.2669","0.0006","65.008","0.005","88.935","0.004","84.972","0.003","1384.54","0.12","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H36 B11 Cl3 N O Sb -","- C16 H36 B11 Cl3 N O Sb -","- C32 H72 B22 Cl6 N2 O2 Sb2 -","2","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.0277","0.0233","","","0.0588","0.0622","","","","","","1.084","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016331","18.544","0.002","19.35","0.002","26.135","0.003","90","","134.565","0.012","90","","6681.4","1.9","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H73 Cl13 O8 Sb4 -","- C50 H68 Cl8 O8 Sb4 -","- C200 H272 Cl32 O32 Sb16 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.0924","0.053","","","0.1046","0.1165","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016332","15.2861","0.0002","20.4785","0.0003","22.7891","0.0004","90","","105.574","0.001","90","","6871.9","0.18","180","2","180","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C65 H72 Cl2 Fe Gd N9 O21 -","- C65 H72 Cl2 Fe Gd N9 O21 -","- C260 H288 Cl8 Fe4 Gd4 N36 O84 -","4","1","","Georgopoulou, Anastasia N.; Adam, Rosa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Ballesteros, Rafael; Abarca, Belén; Boudalis, Athanassios K.","Expanding the 3d-4f heterometallic chemistry of the (py)(2)CO and pyCOpyCOpy ligands: structural, magnetic and Mössbauer spectroscopic studies of two Fe(II)-Gd(III) co mplexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8199","8205","10.1039/c1dt10237k","","","1.54178","CuKα","","0.0474","0.0453","","","0.116","0.1187","","","","","","1.048","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016333","12.1691","0.0002","21.9863","0.0004","52.5951","0.0009","90","","93.598","0.001","90","","14044.3","0.4","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C109.2 H128.8 Cl2 Fe4 Gd3 N23 O52.2 -","- C109.2 H108 Cl2 Fe4 Gd3 N23 O52.2 -","- C436.8 H432 Cl8 Fe16 Gd12 N92 O208.8 -","4","0.5","","Georgopoulou, Anastasia N.; Adam, Rosa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Ballesteros, Rafael; Abarca, Belén; Boudalis, Athanassios K.","Expanding the 3d-4f heterometallic chemistry of the (py)(2)CO and pyCOpyCOpy ligands: structural, magnetic and Mössbauer spectroscopic studies of two Fe(II)-Gd(III) co mplexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8199","8205","10.1039/c1dt10237k","","","1.54178","CuKα","","0.1163","0.0785","","","0.1942","0.2229","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016334","18.4273","0.0018","21.224","0.002","22.036","0.002","73.917","0.002","67.416","0.002","64.419","0.002","7113.1","1.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C149.5 H174 Cl5 Ir2 N12 Ni2 O4.5 -","- C149.5 H174 Cl5 Ir2 N12 Ni2 O4.5 -","- C299 H348 Cl10 Ir4 N24 Ni4 O9 -","2","1","","Yoshida, Keita; Nakashima, Takumi; Yamaguchi, Shigeru; Osuka, Atsuhiro; Shinokubo, Hiroshi","Peripherally cyclometalated iridium complexes of dipyridylporphyrin.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8773","8775","10.1039/c1dt10246j","","","0.71073","MoKα","","0.0606","0.0462","","","0.1298","0.1409","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016335","13.195","0.005","17.79","0.005","35.311","0.005","86.438","0.005","84.753","0.005","81.444","0.005","8152","4","153","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C188 H216 Ir2 N26 Ni2 O2 -","- C170 H189 Ir2 N17 Ni2 O2 -","- C340 H378 Ir4 N34 Ni4 O4 -","2","1","","Yoshida, Keita; Nakashima, Takumi; Yamaguchi, Shigeru; Osuka, Atsuhiro; Shinokubo, Hiroshi","Peripherally cyclometalated iridium complexes of dipyridylporphyrin.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8773","8775","10.1039/c1dt10246j","","","0.71069","MoKα","","0.1101","0.0849","","","0.2072","0.2166","","","","","","1.093","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016336","15.0352","0.0012","9.0589","0.0007","15.347","0.0013","90","","90","","90","","2090.3","0.3","223","2","223","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H24 Cl2 Fe N6 -","- C18 H24 Cl2 Fe N6 -","- C72 H96 Cl8 Fe4 N24 -","4","0.5","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Iron(ii) complexes with functionalized amine-pyrazolyl tripodal ligands in the cross-coupling of aryl Grignard with alkyl halides.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8935","8940","10.1039/c1dt10258c","","","0.71073","MoKα","","0.0581","0.0531","","","0.1102","0.1125","","","","","","1.137","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016337","12.332","0.003","13.092","0.003","13.745","0.003","90","","106.726","0.005","90","","2125.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl2 Fe N5 S -","- C18 H25 Cl2 Fe N5 S -","- C72 H100 Cl8 Fe4 N20 S4 -","4","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Iron(ii) complexes with functionalized amine-pyrazolyl tripodal ligands in the cross-coupling of aryl Grignard with alkyl halides.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8935","8940","10.1039/c1dt10258c","","","0.71073","MoKα","","0.0392","0.0358","","","0.0929","0.0949","","","","","","1.073","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016338","12.1824","0.0007","11.6171","0.0006","14.4312","0.0008","90","","96.307","0.001","90","","2030","0.19","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Cl2 Fe N5 O -","- C17 H23 Cl2 Fe N5 O -","- C68 H92 Cl8 Fe4 N20 O4 -","4","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Iron(ii) complexes with functionalized amine-pyrazolyl tripodal ligands in the cross-coupling of aryl Grignard with alkyl halides.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8935","8940","10.1039/c1dt10258c","","","0.71073","MoKα","","0.0539","0.0438","","","0.1028","0.1075","","","","","","1.043","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016339","8.545","0.002","11.233","0.002","13.533","0.003","89.6","0.02","88.03","0.02","85.8","0.02","1294.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Gandelman-76(Yael)","","","- C17 H35 I2 N3 P2 Pd -","- C17 H35 I2 N3 P2 Pd -","- C34 H70 I4 N6 P4 Pd2 -","2","1","","Schuster, Elaine M.; Botoshansky, Mark; Gandelman, Mark","1,2,3-Triazolylidene based complexes via post-modification of pincer click ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8764","8767","10.1039/c1dt10264h","","","0.71073","MoKα","","0.0934","0.0569","","","0.1503","0.1689","","","","","","1.004","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016340","15.438","0.0011","22.8418","0.0016","8.1278","0.0005","90","","90","","90","","2866.1","0.3","228","2","228","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H37 N P2 -","- C32 H37 N P2 -","- C128 H148 N4 P8 -","4","1","","Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.","Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8950","8958","10.1039/c1dt10265f","","","0.71073","MoKα","","0.0579","0.0373","","","0.098","0.1208","","","","","","1.121","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016341","9.6912","0.0006","11.5459","0.0007","28.3155","0.0017","90","","98.821","0.003","90","","3130.8","0.3","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 Cl N P2 Pd -","- C35 H39 Cl N P2 Pd -","- C140 H156 Cl4 N4 P8 Pd4 -","4","1","","Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.","Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8950","8958","10.1039/c1dt10265f","","","0.71073","MoKα","","0.0411","0.0325","","","0.0856","0.0962","","","","","","1.239","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016342","11.3446","0.0003","11.7317","0.0003","15.4507","0.0004","93.647","0.001","109.95","0.001","93.142","0.001","1922.61","0.09","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl N P2 Pd -","- C44 H50 Cl N P2 Pd -","- C88 H100 Cl2 N2 P4 Pd2 -","2","1","","Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.","Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8950","8958","10.1039/c1dt10265f","","","0.71073","MoKα","","0.0461","0.0348","","","0.0929","0.103","","","","","","1.142","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016343","9.7018","0.0003","11.5256","0.0004","28.4989","0.001","90","","100.733","0.002","90","","3130.97","0.18","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 Cl N P2 Pt -","- C35 H39 Cl N P2 Pt -","- C140 H156 Cl4 N4 P8 Pt4 -","4","1","","Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.","Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8950","8958","10.1039/c1dt10265f","","","0.71073","MoKα","","0.0501","0.032","","","0.0601","0.0656","","","","","","1.024","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016344","11.3219","0.0005","11.7353","0.0005","15.501","0.0006","93.81","0.002","110.178","0.002","92.996","0.002","1922.65","0.14","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl N P2 Pt -","- C44 H50 Cl N P2 Pt -","- C88 H100 Cl2 N2 P4 Pt2 -","2","1","","Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.","Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8950","8958","10.1039/c1dt10265f","","","0.71073","MoKα","","0.0514","0.0411","","","0.126","0.1336","","","","","","1.157","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016345","12.3808","0.0008","14.901","0.001","18.6532","0.0011","90","","122.533","0.004","90","","2901.3","0.3","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N Ni P2 -","- C32 H37 N Ni P2 -","- C128 H148 N4 Ni4 P8 -","4","1","","Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.","Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8950","8958","10.1039/c1dt10265f","","","0.71073","MoKα","","0.0649","0.0447","","","0.1158","0.1317","","","","","","1.063","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016346","11.3866","0.0005","11.4791","0.0005","14.9377","0.0007","91.051","0.002","108.575","0.002","94.265","0.002","1843.82","0.14","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.5 H45 N P2 Pd -","- C40.5 H45 N P2 Pd -","- C81 H90 N2 P4 Pd2 -","2","1","","Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.","Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8950","8958","10.1039/c1dt10265f","","","0.71073","MoKα","","0.0445","0.0364","","","0.102","0.1162","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016347","7.7345","0.0004","10.2407","0.0005","23.0053","0.0011","93.018","0.001","90.438","0.001","109.694","0.001","1712.58","0.15","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H40 Br2 Cl2 N4 O2 Pd S -","- C29 H40 Br2 Cl2 N4 O2 Pd S -","- C58 H80 Br4 Cl4 N8 O4 Pd2 S2 -","2","1","","Yuan, Dan; Tang, Haoyun; Xiao, Linfei; Huynh, Han Vinh","CSC-pincer versus pseudo-pincer complexes of palladium(ii): a comparative study on complexation and catalytic activities of NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8788","8795","10.1039/c1dt10269a","","","0.71073","MoKα","","0.0587","0.0418","","","0.1063","0.1141","","","","","","1.047","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016348","20.645","0.003","4.9654","0.0007","26.635","0.004","90","","97.834","0.003","90","","2704.9","0.7","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Br2 N4 O2 Pd S -","- C24 H30 Br2 N4 O2 Pd S -","- C96 H120 Br8 N16 O8 Pd4 S4 -","4","1","","Yuan, Dan; Tang, Haoyun; Xiao, Linfei; Huynh, Han Vinh","CSC-pincer versus pseudo-pincer complexes of palladium(ii): a comparative study on complexation and catalytic activities of NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8788","8795","10.1039/c1dt10269a","","","0.71073","MoKα","","0.0716","0.0489","","","0.1026","0.111","","","","","","0.988","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016349","13.195","0.0012","11.2449","0.001","19.3922","0.0017","90","","109.592","0.002","90","","2710.8","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H22 Br2 Cl4 N4 Pd S -","- C24 H22 Br2 Cl4 N4 Pd S -","- C96 H88 Br8 Cl16 N16 Pd4 S4 -","4","1","","Yuan, Dan; Tang, Haoyun; Xiao, Linfei; Huynh, Han Vinh","CSC-pincer versus pseudo-pincer complexes of palladium(ii): a comparative study on complexation and catalytic activities of NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8788","8795","10.1039/c1dt10269a","","","0.71073","MoKα","","0.0527","0.0476","","","0.1251","0.1285","","","","","","1.049","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016350","14.57","0.004","19.092","0.005","28.652","0.007","90","","113.424","0.012","90","","7313","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H60 Cu2 N8 O7 P4 -","- C74 H60 Cu2 N8 O7 P4 -","- C296 H240 Cu8 N32 O28 P16 -","4","1","","Gil, Belén; Cooke, Gareth A.; Nolan, Deanne; O Máille, Gearóid M; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","A dinuclear extension to constrained heteroleptic Cu(i) systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8320","8327","10.1039/c1dt10275c","","","0.71073","MoKα","","0.0945","0.0749","","","0.2105","0.224","","","","","","1.031","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016351","14.673","0.003","19.071","0.004","26.536","0.006","90","","96.795","0.004","90","","7373","3","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H64 Cl2 Cu2 N6 O6 P4 -","- C77 H64 Cl2 Cu2 N6 O6 P4 -","- C308 H256 Cl8 Cu8 N24 O24 P16 -","4","1","","Gil, Belén; Cooke, Gareth A.; Nolan, Deanne; O Máille, Gearóid M; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","A dinuclear extension to constrained heteroleptic Cu(i) systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8320","8327","10.1039/c1dt10275c","","","0.71073","MoKα","","0.1471","0.1024","","","0.2482","0.2649","","","","","","1.103","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016352","14.57","0.004","19.092","0.005","26.482","0.008","90","","96.897","0.007","90","","7313","4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H62 Cl2 Cu2 N8 O6 P4 -","- C75 H62 Cl2 Cu2 N8 O6 P4 -","- C300 H248 Cl8 Cu8 N32 O24 P16 -","4","1","","Gil, Belén; Cooke, Gareth A.; Nolan, Deanne; O Máille, Gearóid M; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","A dinuclear extension to constrained heteroleptic Cu(i) systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8320","8327","10.1039/c1dt10275c","","","0.71073","MoKα","","0.0781","0.0574","","","0.1196","0.1283","","","","","","0.92","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016353","11.8793","0.0008","15.5474","0.001","18.2839","0.0012","80.909","0.001","78.152","0.001","72.501","0.001","3135.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H87 N5 P2 Sc -","- C63.5 H87 N5 P2 Sc -","- C127 H174 N10 P4 Sc2 -","2","1","","Wicker, Benjamin F.; Pink, Maren; Mindiola, Daniel J.","Isocyanide insertion and cyclization reactions to form indolines using pincer-type complexes of scandium.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9020","9025","10.1039/c1dt10287g","","","0.71073","MoKα","","0.1279","0.0634","","","0.178","0.2106","","","","","","1.052","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7016354","14.4984","0.0008","15.6478","0.0009","20.5567","0.0012","86.436","0.002","70.675","0.001","65.699","0.001","3996.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C86.5 H127 N6 P2 Sc -","- C86.5 H127 N6 P2 Sc -","- C173 H254 N12 P4 Sc2 -","2","1","","Wicker, Benjamin F.; Pink, Maren; Mindiola, Daniel J.","Isocyanide insertion and cyclization reactions to form indolines using pincer-type complexes of scandium.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9020","9025","10.1039/c1dt10287g","","x-ray","0.71073","MoKα","","0.0809","0.0547","","","0.16","0.1791","","","","","","1.175","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016355","23.064","0.005","23.064","0.005","7.5597","0.0016","90","","90","","90","","4021.4","1.5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","(OC-6-43)-Dichlorido(N,N-dimethyl-ethane-1,2-diamine)dihydro- xidoplatinum(IV)","(OC-6-43)-Dichlorido(N,N-dimethyl-ethane-1,2-diamine)dihydro- xidoplatinum(IV)","","- C4 H14 Cl2 N2 O2 Pt -","- C4 H14 Cl2 N2 O2 Pt -","- C64 H224 Cl32 N32 O32 Pt16 -","16","1","","Pichler, Verena; Valiahdi, Seied M.; Jakupec, Michael A.; Arion, Vladimir B.; Galanski, Markus; Keppler, Bernhard K.","Mono-carboxylated diaminedichloridoplatinum(iv) complexes - selective synthesis, characterization, and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8187","8192","10.1039/c1dt10301f","","","0.71073","MoKα","","0.1099","0.0643","","","0.1463","0.1766","","","","","","1.059","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016356","8.1295","0.0003","8.3664","0.0003","11.075","0.0004","89.567","0.003","79.707","0.002","84.467","0.002","737.65","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(OC-6-43)-Dichlorido(N,N-dimethyl-ethane-1,2- diamine)hydroxido(4-methoxy-4-oxobutanoato)platinum(IV)","(OC-6-43)-Dichlorido(N,N-dimethyl-ethane-1,2-diamine)hydroxido(4- methoxy-4-oxobutanoato)platinum(IV)","","- C9 H20 Cl2 N2 O5 Pt -","- C9 H20 Cl2 N2 O5 Pt -","- C18 H40 Cl4 N4 O10 Pt2 -","2","1","","Pichler, Verena; Valiahdi, Seied M.; Jakupec, Michael A.; Arion, Vladimir B.; Galanski, Markus; Keppler, Bernhard K.","Mono-carboxylated diaminedichloridoplatinum(iv) complexes - selective synthesis, characterization, and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8187","8192","10.1039/c1dt10301f","","","0.71073","MoKα","","0.024","0.0206","","","0.0455","0.0466","","","","","","1.019","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016357","10.901","0.002","11.298","0.002","16.406","0.003","85.89","0.03","84.23","0.03","78.72","0.03","1968.7","0.7","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C30.5 H43 Cl O11 P2 Sn W -","- C30.5 H43 Cl O11 P2 Sn W -","- C61 H86 Cl2 O22 P4 Sn2 W2 -","2","1","","Wagner, Michael; Dorogov, Konstantin; Schürmann, Markus; Jurkschat, Klaus","Intramolecularly coordinated heteroleptic organostannylene tungsten pentacarbonyl complexes 4-tBu-2,6-[P(O)(OiPr)(2)](2)C(6)H(2)Sn(X)W(CO)(5) (X = Cl, F, PPh(2), PPh(2)[W(CO)(5)]). Syntheses and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8839","8848","10.1039/c1dt10321k","","","0.71073","MoKα","","0.0486","0.0272","","","0.0456","0.0475","","","","","","0.834","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016358","11.3682","0.0003","23.9843","0.0006","18.4609","0.0005","90","","95.285","0.002","90","","5012.1","0.2","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H57 O11 P3 Sn W -","- C46 H57 O11 P3 Sn W -","- C184 H228 O44 P12 Sn4 W4 -","4","1","","Wagner, Michael; Dorogov, Konstantin; Schürmann, Markus; Jurkschat, Klaus","Intramolecularly coordinated heteroleptic organostannylene tungsten pentacarbonyl complexes 4-tBu-2,6-[P(O)(OiPr)(2)](2)C(6)H(2)Sn(X)W(CO)(5) (X = Cl, F, PPh(2), PPh(2)[W(CO)(5)]). Syntheses and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8839","8848","10.1039/c1dt10321k","","","0.71073","MoKα","","0.0333","0.0215","","","0.0414","0.0422","","","","","","0.905","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016359","22.0762","0.0009","12.187","0.0004","26.8904","0.0011","90","","106.306","0.004","90","","6943.7","0.5","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H86 O20 P4 Sn2 W2 -","- C55 H86 O20 P4 Sn2 W2 -","- C220 H344 O80 P16 Sn8 W8 -","4","1","","Wagner, Michael; Dorogov, Konstantin; Schürmann, Markus; Jurkschat, Klaus","Intramolecularly coordinated heteroleptic organostannylene tungsten pentacarbonyl complexes 4-tBu-2,6-[P(O)(OiPr)(2)](2)C(6)H(2)Sn(X)W(CO)(5) (X = Cl, F, PPh(2), PPh(2)[W(CO)(5)]). Syntheses and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8839","8848","10.1039/c1dt10321k","","","0.71073","MoKα","","0.0934","0.0535","","","0.1218","0.1292","","","","","","0.962","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016360","10.6089","0.0003","11.7686","0.0005","15.4337","0.0006","78.061","0.003","72.319","0.003","79.707","0.003","1782.26","0.12","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H39 F O11 P2 Sn W -","- C27 H39 F O11 P2 Sn W -","- C54 H78 F2 O22 P4 Sn2 W2 -","2","1","","Wagner, Michael; Dorogov, Konstantin; Schürmann, Markus; Jurkschat, Klaus","Intramolecularly coordinated heteroleptic organostannylene tungsten pentacarbonyl complexes 4-tBu-2,6-[P(O)(OiPr)(2)](2)C(6)H(2)Sn(X)W(CO)(5) (X = Cl, F, PPh(2), PPh(2)[W(CO)(5)]). Syntheses and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8839","8848","10.1039/c1dt10321k","","","0.71073","MoKα","","0.0436","0.0363","","","0.0903","0.0919","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016361","20.8155","0.0006","12.6552","0.0003","21.8652","0.0005","90","","90.595","0.002","90","","5759.5","0.3","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H57 O16 P3 Sn W2 -","- C51 H57 O16 P3 Sn W2 -","- C204 H228 O64 P12 Sn4 W8 -","4","1","","Wagner, Michael; Dorogov, Konstantin; Schürmann, Markus; Jurkschat, Klaus","Intramolecularly coordinated heteroleptic organostannylene tungsten pentacarbonyl complexes 4-tBu-2,6-[P(O)(OiPr)(2)](2)C(6)H(2)Sn(X)W(CO)(5) (X = Cl, F, PPh(2), PPh(2)[W(CO)(5)]). Syntheses and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8839","8848","10.1039/c1dt10321k","","","0.71073","MoKα","","0.0326","0.0227","","","0.052","0.053","","","","","","0.947","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016362","9.3585","0.0003","10.3118","0.0003","26.0322","0.0008","90","","105.703","0.001","90","","2418.42","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F6 N3 P Ru -","- C23 H26 F6 N3 P Ru -","- C92 H104 F24 N12 P4 Ru4 -","4","1","","Fetzer, Ludivine; Boff, Bastien; Ali, Moussa; Xiangjun, Meng; Collin, Jean-Paul; Sirlin, Claude; Gaiddon, Christian; Pfeffer, Michel","Library of second-generation cycloruthenated compounds and evaluation of their biological properties as potential anticancer drugs: Passing the nanomolar barrier.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8869","8878","10.1039/c1dt10322a","","","0.71073","MoKα","","0.0379","0.0317","","","0.0648","0.0677","","","","","","1.24","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016363","6.5204","0.0013","22.603","0.005","11.813","0.002","90","","95.4","0.03","90","","1733.3","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 Cl N4 Ni -","- C40 H37 Cl N4 Ni -","- C80 H74 Cl2 N8 Ni2 -","2","1","","Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9012","9019","10.1039/c1dt10329f","","","0.71073","MoKα","","0.054","0.0426","","","0.1066","0.1183","","","","","","1.025","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016364","13.976","0.003","22.955","0.005","10.551","0.002","90","","90","","90","","3385","1.2","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C31 H48 Cl3 N4 Ni O0.5 -","- C31 H48 Cl3 N4 Ni O0.5 -","- C124 H192 Cl12 N16 Ni4 O2 -","4","1","","Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9012","9019","10.1039/c1dt10329f","","","0.71073","MoKα","","0.0668","0.0614","","","0.1476","0.1511","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016365","28.671","0.006","9.971","0.002","10.646","0.002","90","","100","0.03","90","","2997.2","1.1","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H37 Cl N4 Ni -","- C32 H37 Cl N4 Ni -","- C128 H148 Cl4 N16 Ni4 -","4","1","","Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9012","9019","10.1039/c1dt10329f","","","0.71073","MoKα","","0.0632","0.0486","","","0.1143","0.1271","","","","","","1.039","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016366","11.0806","0.0002","12.41579","0.00019","13.7889","0.0003","90","","101.405","0.0018","90","","1859.54","0.06","293.15","","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H40 B F4 N5 Ni -","- C42 H40 B F4 N5 Ni -","- C84 H80 B2 F8 N10 Ni2 -","2","1","","Shao, Dan-Dan; Niu, Jun-Long; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Neutral and cationic chiral NCN pincer nickel(ii) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9012","9019","10.1039/c1dt10329f","","","1.5418","CuKα","","0.0584","0.0509","","","0.1355","0.1479","","","","","","1.036","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016367","14.309","0.002","14.309","0.002","16.961","0.003","90","","90","","90","","3472.7","0.9","291","2","291","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H17 Cl N2 Pd -","- C19 H17 Cl N2 Pd -","- C152 H136 Cl8 N16 Pd8 -","8","1","","Wang, Tao; Hao, Xin-Qi; Zhang, Xiao-Xue; Gong, Jun-Fang; Song, Mao-Ping","Synthesis, structure and catalytic properties of CNN pincer palladium(ii) and ruthenium(ii) complexes with N-substituted-2-aminomethyl-6-phenylpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8964","8976","10.1039/c1dt10331h","","","0.71073","MoKα","","0.0584","0.0482","","","0.1038","0.1095","","","","","","1.107","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016368","9.1716","0.0003","11.2294","0.0006","19.1796","0.0009","104.722","0.004","90.241","0.004","95.615","0.004","1900.45","0.15","292.15","","292.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H41 Cl3 N2 P2 Ru -","- C41 H41 Cl3 N2 P2 Ru -","- C82 H82 Cl6 N4 P4 Ru2 -","2","1","","Wang, Tao; Hao, Xin-Qi; Zhang, Xiao-Xue; Gong, Jun-Fang; Song, Mao-Ping","Synthesis, structure and catalytic properties of CNN pincer palladium(ii) and ruthenium(ii) complexes with N-substituted-2-aminomethyl-6-phenylpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8964","8976","10.1039/c1dt10331h","","","0.7107","MoKα","","0.0536","0.0404","","","0.0908","0.0976","","","","","","1.058","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016369","10.4744","0.0002","13.7238","0.0003","29.0038","0.0007","90","","106.25","0.002","90","","4002.69","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H45 Cl N2 P2 Ru -","- C47 H45 Cl N2 P2 Ru -","- C188 H180 Cl4 N8 P8 Ru4 -","4","1","","Wang, Tao; Hao, Xin-Qi; Zhang, Xiao-Xue; Gong, Jun-Fang; Song, Mao-Ping","Synthesis, structure and catalytic properties of CNN pincer palladium(ii) and ruthenium(ii) complexes with N-substituted-2-aminomethyl-6-phenylpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8964","8976","10.1039/c1dt10331h","","","0.71073","MoKα","","0.0491","0.0341","","","0.0698","0.0753","","","","","","1.052","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016370","18.443","0.004","18.443","0.004","12.82","0.003","90","","90","","120","","3776.4","1.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C90 H54 F12 N12 O6 P2 Ru -","- C90 H54 F11 N12 O6 P1.5 Ru -","- C180 H108 F22 N24 O12 P3 Ru2 -","2","0.333333","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.1091","0.0625","","","0.1732","0.1925","","","","","","0.951","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7016371","11.0611","0.0006","18.2383","0.001","7.349","0.0004","90","","90","","90","","1482.56","0.14","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H12 N6 -","- C18 H12 N6 -","- C72 H48 N24 -","4","1","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.028","0.0271","","","0.08","0.0839","","","","","","0.879","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016372","9.4836","0.0019","11.136","0.002","14.432","0.003","90","","90.87","0.03","90","","1524","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","1","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.0368","0.0345","","","0.1029","0.1075","","","","","","0.889","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016373","10.9856","0.001","20.223","0.0018","20.3436","0.0018","90","","104.637","0.002","90","","4372.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 F12 N10 O P2 Ru -","- C41 H34 F12 N10 O P2 Ru -","- C164 H136 F48 N40 O4 P8 Ru4 -","4","1","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.0548","0.039","","","0.1009","0.1119","","","","","","1.11","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016374","11.5464","0.001","19.751","0.0018","19.7135","0.0017","90","","101.996","0.002","90","","4397.5","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 F12 N9 O P2 Ru -","- C42 H35 F12 N9 O P2 Ru -","- C168 H140 F48 N36 O4 P8 Ru4 -","4","1","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.0877","0.0526","","","0.1159","0.1336","","","","","","1.02","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016375","10.466","0.001","12.174","0.001","15.882","0.002","93.674","0.001","91.256","0.004","101.75","0.001","1975.8","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 N4 -","- C26 H18 N4 -","- C104 H72 N16 -","4","2","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.0735","0.0534","","","0.1532","0.1723","","","","","","1.021","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016376","21.426","0.002","10.0132","0.001","7.9162","0.0008","90","","90","","90","","1698.4","0.3","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H14 N4 -","- C24 H14 N4 -","- C96 H56 N16 -","4","0.5","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.0662","0.0437","","","0.1069","0.1224","","","","","","0.872","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016377","9.006","0.001","43.982","0.003","13.043","0.001","90","","101.319","0.002","90","","5065.9","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H36 Cl6 F12 N8 P2 Ru -","- C47 H36 Cl6 F12 N8 P2 Ru -","- C188 H144 Cl24 F48 N32 P8 Ru4 -","4","1","","Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8206","8212","10.1039/c1dt10340g","","","0.71073","MoKα","","0.1334","0.0804","","","0.1461","0.1636","","","","","","1.091","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016378","11.4821","0.0005","13.5764","0.0006","14.3947","0.0006","90","","101.339","0.002","90","","2200.13","0.17","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Cl N Os P2 -","- C16 H40 Cl N Os P2 -","- C64 H160 Cl4 N4 Os4 P8 -","4","1","","Bertoli, Marcello; Choualeb, Aldjia; Gusev, Dmitry G.; Lough, Alan J.; Major, Quinn; Moore, Brandon","PNP pincer osmium polyhydrides for catalytic dehydrogenation of primary alcohols.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8941","8949","10.1039/c1dt10342c","","","0.71073","MoKα","","0.0468","0.0335","","","0.0804","0.086","","","","","","1.031","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016379","15.2733","0.0004","9.7158","0.0002","16.9733","0.0005","90","","101.987","0.0011","90","","2463.79","0.11","150","1","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H48 N Os P3 -","- C19 H48 N Os P3 -","- C76 H192 N4 Os4 P12 -","4","1","","Bertoli, Marcello; Choualeb, Aldjia; Gusev, Dmitry G.; Lough, Alan J.; Major, Quinn; Moore, Brandon","PNP pincer osmium polyhydrides for catalytic dehydrogenation of primary alcohols.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8941","8949","10.1039/c1dt10342c","","","0.71073","MoKα","","0.0682","0.0419","","","0.0896","0.1009","","","","","","1.1","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016380","15.1839","0.0005","15.9875","0.0006","22.2064","0.0007","90","","90","","90","","5390.7","0.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C62 H61 Cl O7 P2 Pd -","- C62 H61 Cl O7 P2 Pd -","- C248 H244 Cl4 O28 P8 Pd4 -","4","0.5","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0286","0.025","","","0.0584","0.0601","","","","","","1.031","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016381","9.9481","0.0004","17.2684","0.0006","31.2989","0.0012","90","","90","","90","","5376.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H50 O4 Si2 -","- C60 H50 O4 Si2 -","- C240 H200 O16 Si8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0702","0.0561","","","0.1462","0.1535","","","","","","1.018","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016382","9.8619","0.0002","18.1864","0.0003","26.4065","0.0005","90","","90","","90","","4736.07","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C58 H52 O6 P2 -","- C58 H52 O6 P2 -","- C232 H208 O24 P8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0649","0.0461","","","0.1057","0.1193","","","","","","1.028","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7016383","9.9085","0.0004","11.2581","0.0004","34.2755","0.0013","90","","90","","90","","3823.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H49 O4 P Si2 -","- C40 H49 O4 P Si2 -","- C160 H196 O16 P4 Si8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0382","0.0329","","","0.0736","0.0762","","","","","","1.026","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016384","9.9513","0.001","19.713","0.002","28.496","0.003","90","","90","","90","","5590.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H57 O4 P Si2 -","- C66 H57 O4 P Si2 -","- C264 H228 O16 P4 Si8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","1.54178","CuKα","","0.0641","0.0536","","","0.1352","0.1437","","","","","","1.043","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016385","13.5371","0.0003","23.2484","0.0005","14.3898","0.0003","90","","114.008","0.001","90","","4136.92","0.16","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H99 Cl O6 P2 Pd Si2 -","- C96 H99 Cl O6 P2 Pd Si2 -","- C192 H198 Cl2 O12 P4 Pd2 Si4 -","2","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0427","0.0375","","","0.0994","0.1033","","","","","","1.061","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016386","9.9688","0.0011","9.1502","0.001","16.0481","0.0017","90","","99.461","0.004","90","","1443.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H37 O3 P -","- C36 H37 O3 P -","- C72 H74 O6 P2 -","2","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9042","9050","10.1039/c1dt10357a","","","1.54178","CuKα","","0.0317","0.031","","","0.0775","0.0783","","","","","","1.046","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016387","29.464","0.003","9.6174","0.0009","22.049","0.002","90","","132.779","0.003","90","","4585.9","0.8","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C100 H104 Cl2 O6 P2 Pd2 Si4 -","- C100 H104 Cl2 O6 P2 Pd2 Si4 -","- C200 H208 Cl4 O12 P4 Pd4 Si8 -","2","0.5","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9042","9050","10.1039/c1dt10357a","","","1.54178","CuKα","","0.0316","0.0287","","","0.0654","0.0665","","","","","","1.003","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016388","14.4938","0.0006","30.6692","0.0013","14.4991","0.0005","90","","106.461","0.003","90","","6180.9","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C145 H132 Cl2 O8 P2 Pd2 Si4 -","- C145 H132 Cl2 O8 P2 Pd2 Si4 -","- C290 H264 Cl4 O16 P4 Pd4 Si8 -","2","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9042","9050","10.1039/c1dt10357a","","","0.71073","MoKα","","0.1541","0.0919","","","0.1736","0.2009","","","","","","1.037","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016389","27.163","0.0004","14.38","0.0002","14.1182","0.0002","90","","105.286","0.001","90","","5319.53","0.13","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C46 H64 Cl2 N O4 P Pd Si2 -","- C46 H64 Cl2 N O4 P Pd Si2 -","- C184 H256 Cl8 N4 O16 P4 Pd4 Si8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Chiral palladacycles based on resorcinol monophosphite ligands: the role of the meta-hydroxyl in ligand C-H activation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9042","9050","10.1039/c1dt10357a","","","0.71073","MoKα","","0.037","0.0321","","","0.0725","0.0745","","","","","","1.021","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016390","11.483","0.0006","12.4619","0.0004","18.65","0.0006","90.887","0.002","99.603","0.002","109.56","0.002","2472.24","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.5 H56 Cl N3 P3 Rh -","- C56.5 H56 Cl N3 P3 Rh -","- C113 H112 Cl2 N6 P6 Rh2 -","2","1","","Bauer, Richard C.; Gloaguen, Yann; Lutz, Martin; Reek, Joost N. H.; de Bruin, Bas; van der Vlugt, Jarl Ivar","Pincer ligands with an all-phosphorus donor set: subtle differences between rhodium and palladium.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8822","8829","10.1039/c1dt10360a","","","0.71073","MoKα","","0.0298","0.0255","","","0.0624","0.0647","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016391","18.5234","0.0006","16.4872","0.0004","17.3811","0.0006","90","","98.364","0.002","90","","5251.7","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 Ca K2 N8 -","- C48 H80 Ca K2 N8 -","- C192 H320 Ca4 K8 N32 -","4","1","","Glock, Carsten; Görls, Helmar; Westerhausen, Matthias","Amido-based potassium-alkaline earth metallates - synthesis and structures of heterobimetallic complexes of heavy s-block elements.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8108","8113","10.1039/c1dt10364d","","","0.71073","MoKα","","0.1233","0.0497","","","0.0978","0.1199","","","","","","0.967","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016392","18.6314","0.0004","16.5053","0.0007","17.4528","0.0006","90","","98.348","0.002","90","","5310.2","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 K2 N8 Sr -","- C48 H80 K2 N8 Sr -","- C192 H320 K8 N32 Sr4 -","4","1","","Glock, Carsten; Görls, Helmar; Westerhausen, Matthias","Amido-based potassium-alkaline earth metallates - synthesis and structures of heterobimetallic complexes of heavy s-block elements.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8108","8113","10.1039/c1dt10364d","","","0.71073","MoKα","","0.1184","0.0493","","","0.0829","0.1006","","","","","","0.942","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016393","14.7726","0.0003","20.5812","0.0006","20.5396","0.0003","90","","105.067","0.001","90","","6030.1","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H94 Ba K2 N10 -","- C54 H94 Ba K2 N10 -","- C216 H376 Ba4 K8 N40 -","4","1","","Glock, Carsten; Görls, Helmar; Westerhausen, Matthias","Amido-based potassium-alkaline earth metallates - synthesis and structures of heterobimetallic complexes of heavy s-block elements.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8108","8113","10.1039/c1dt10364d","","","0.71073","MoKα","","0.0779","0.0387","","","0.0747","0.0861","","","","","","0.974","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016394","7.7649","0.0002","9.3598","0.0003","9.7306","0.0003","106.655","0.003","103.914","0.003","100.648","0.003","632.71","0.04","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Au2 Cl2 N8 P2 -","- C18 H24 Au2 Cl2 N8 P2 -","- C18 H24 Au2 Cl2 N8 P2 -","1","0.5","","Wetzel, Corinna; Kunz, Peter C.; Kassack, Matthias U.; Hamacher, Alexandra; Böhler, Philip; Watjen, Wim; Ott, Ingo; Rubbiani, Riccardo; Spingler, Bernhard","Gold(i) complexes of water-soluble diphos-type ligands: Synthesis, anticancer activity, apoptosis and thioredoxin reductase inhibition.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9212","9220","10.1039/c1dt10368g","","","0.7107","MoKα","","0.0353","0.0264","","","0.0693","0.0708","","","","","","1.052","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016395","11.5666","0.0002","12.5719","0.0002","16.9038","0.0004","77.1249","0.0018","81.4065","0.0017","80.7994","0.0015","2348.83","0.08","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 Au F6 N8 P5 -","- C44 H48 Au F6 N8 P5 -","- C88 H96 Au2 F12 N16 P10 -","2","1","","Wetzel, Corinna; Kunz, Peter C.; Kassack, Matthias U.; Hamacher, Alexandra; Böhler, Philip; Watjen, Wim; Ott, Ingo; Rubbiani, Riccardo; Spingler, Bernhard","Gold(i) complexes of water-soluble diphos-type ligands: Synthesis, anticancer activity, apoptosis and thioredoxin reductase inhibition.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9212","9220","10.1039/c1dt10368g","","","0.7107","MoKα","","0.0733","0.0435","","","0.0743","0.0789","","","","","","0.904","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016396","10.9488","0.00013","12.3734","0.00013","11.4241","0.00014","90","","97.4074","0.0011","90","","1534.75","0.03","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23.5 H26 Au2 Cl3 N4 O0.5 P2 -","- C23.6 H28 Au2 Cl2.8 N4 O0.6 P2 -","- C47.2 H56 Au4 Cl5.6 N8 O1.2 P4 -","2","1","","Wetzel, Corinna; Kunz, Peter C.; Kassack, Matthias U.; Hamacher, Alexandra; Böhler, Philip; Watjen, Wim; Ott, Ingo; Rubbiani, Riccardo; Spingler, Bernhard","Gold(i) complexes of water-soluble diphos-type ligands: Synthesis, anticancer activity, apoptosis and thioredoxin reductase inhibition.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9212","9220","10.1039/c1dt10368g","","","0.7107","MoKα","","0.0379","0.0324","","","0.0766","0.0777","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016397","8.0992","0.0003","9.9494","0.0003","11.4694","0.0004","94.26","0.003","93.131","0.003","97.282","0.003","912.32","0.05","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H26 Au2 Cl2 N4 O3 P2 S4 -","- C30 H26 Au2 Cl2 N4 O3 P2 S4 -","- C30 H26 Au2 Cl2 N4 O3 P2 S4 -","1","0.5","","Wetzel, Corinna; Kunz, Peter C.; Kassack, Matthias U.; Hamacher, Alexandra; Böhler, Philip; Watjen, Wim; Ott, Ingo; Rubbiani, Riccardo; Spingler, Bernhard","Gold(i) complexes of water-soluble diphos-type ligands: Synthesis, anticancer activity, apoptosis and thioredoxin reductase inhibition.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9212","9220","10.1039/c1dt10368g","","","0.7107","MoKα","","0.0456","0.0331","","","0.0874","0.0893","","","","","","1.029","","","","has coordinates","188927","2020-10-21","18:00:00",""
"7016398","9.6754","0.0007","11.3757","0.0007","12.1339","0.0007","103.894","0.005","108.377","0.006","108.128","0.006","1116.59","0.16","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Au2 Cl2 N8 P2 -","- C34 H32 Au2 Cl2 N8 P2 -","- C34 H32 Au2 Cl2 N8 P2 -","1","0.5","","Wetzel, Corinna; Kunz, Peter C.; Kassack, Matthias U.; Hamacher, Alexandra; Böhler, Philip; Watjen, Wim; Ott, Ingo; Rubbiani, Riccardo; Spingler, Bernhard","Gold(i) complexes of water-soluble diphos-type ligands: Synthesis, anticancer activity, apoptosis and thioredoxin reductase inhibition.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9212","9220","10.1039/c1dt10368g","","","0.7107","MoKα","","0.1065","0.0509","","","0.1401","0.1498","","","","","","0.947","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016399","7.5601","0.0008","9.3101","0.0006","24.686","0.003","90","","90.828","0.012","90","","1737.3","0.3","173","","173","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N2 O4 Pd -","- C16 H15 Br N2 O4 Pd -","- C64 H60 Br4 N8 O16 Pd4 -","4","1","","Xu, Gang; Luo, Qunli; Eibauer, Stefan; Rausch, Andreas F.; Stempfhuber, Sabine; Zabel, Manfred; Yersin, Hartmut; Reiser, Oliver","Palladium(ii)- and platinum(ii)phenyl-2,6-bis(oxazole) pincer complexes: Syntheses, crystal structures, and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8800","8806","10.1039/c1dt10369e","","","0.71073","MoKα","","0.0272","0.0226","","","0.056","0.0571","","","","","","0.969","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016400","9.6564","0.0011","10.061","0.0012","10.5897","0.0012","107.986","0.013","112.136","0.012","100.062","0.013","855.5","0.2","173","","173","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C16 H13 Br N2 O5 Pd -","- C16 H13 Br N2 O5 Pd -","- C32 H26 Br2 N4 O10 Pd2 -","2","1","","Xu, Gang; Luo, Qunli; Eibauer, Stefan; Rausch, Andreas F.; Stempfhuber, Sabine; Zabel, Manfred; Yersin, Hartmut; Reiser, Oliver","Palladium(ii)- and platinum(ii)phenyl-2,6-bis(oxazole) pincer complexes: Syntheses, crystal structures, and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8800","8806","10.1039/c1dt10369e","","","0.71073","MoKα","","0.0293","0.0238","","","0.058","0.0596","","","","","","0.963","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016401","33.697","0.004","5.2354","0.0004","19.994","0.002","90","","96.702","0.014","90","","3503.2","0.6","173","","173","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Br N2 O4 Pt -","- C16 H15 Br N2 O4 Pt -","- C128 H120 Br8 N16 O32 Pt8 -","8","1","","Xu, Gang; Luo, Qunli; Eibauer, Stefan; Rausch, Andreas F.; Stempfhuber, Sabine; Zabel, Manfred; Yersin, Hartmut; Reiser, Oliver","Palladium(ii)- and platinum(ii)phenyl-2,6-bis(oxazole) pincer complexes: Syntheses, crystal structures, and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8800","8806","10.1039/c1dt10369e","","","0.71073","MoKα","","0.0513","0.0461","","","0.1225","0.1272","","","","","","1.021","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016402","9.6961","0.001","10.0725","0.001","10.4364","0.001","107.818","0.011","111.729","0.011","99.999","0.012","852.7","0.2","173","","173","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C16 H13 Br N2 O5 Pt -","- C16 H13 Br N2 O5 Pt -","- C32 H26 Br2 N4 O10 Pt2 -","2","1","","Xu, Gang; Luo, Qunli; Eibauer, Stefan; Rausch, Andreas F.; Stempfhuber, Sabine; Zabel, Manfred; Yersin, Hartmut; Reiser, Oliver","Palladium(ii)- and platinum(ii)phenyl-2,6-bis(oxazole) pincer complexes: Syntheses, crystal structures, and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8800","8806","10.1039/c1dt10369e","","","0.71073","MoKα","","0.0265","0.0233","","","0.0563","0.0572","","","","","","1.029","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016403","10.4999","0.0009","16.624","0.001","16.89","0.001","83.955","0.004","78.587","0.004","79.133","0.004","2830.9","0.3","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H64 Cl K2 O18 P Pd S2 -","- C43 H64 Cl K2 O18 P Pd S2 -","- C86 H128 Cl2 K4 O36 P2 Pd2 S4 -","2","1","","Anselment, Timo M. J.; Anderson, Carly E.; Rieger, Bernhard; Boeddinghaus, M. Bele; Fässler, Thomas F","Synthesis of non-symmetrically sulphonated phosphine sulphonate based Pd(ii) catalyst salts for olefin polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8304","8313","10.1039/c1dt10372e","","","0.71073","MoKα","","0.1469","0.1088","","","0.2304","0.2383","","","","3.5","3.5","2.84","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016404","15.058","0.003","10.004","0.002","17.392","0.004","90","","90.397","0.003","90","","2619.9","1","200","","200","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Br Ni O2 P2 -","- C30 H23 Br Ni O2 P2 -","- C120 H92 Br4 Ni4 O8 P8 -","4","1","","Salah, Abderrahmen B.; Zargarian, Davit","The impact of P-substituents on the structures, spectroscopic properties, and reactivities of POCOP-type pincer complexes of nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8977","8985","10.1039/c1dt10381d","","","0.71073","MoKα","","0.0479","0.0384","","","0.1248","0.1296","","","","","","1.086","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016405","16.548","0.002","11.3201","0.0015","16.655","0.002","90","","119.769","0.002","90","","2708.2","0.6","200","2","200","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N Ni O5 P2 -","- C30 H23 N Ni O5 P2 -","- C120 H92 N4 Ni4 O20 P8 -","4","1","","Salah, Abderrahmen B.; Zargarian, Davit","The impact of P-substituents on the structures, spectroscopic properties, and reactivities of POCOP-type pincer complexes of nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8977","8985","10.1039/c1dt10381d","","","0.71073","MoKα","","0.0369","0.0319","","","0.0771","0.08","","","","","","1.06","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016406","8.8415","0.0013","12.5965","0.0019","13.563","0.002","95.864","0.002","91.903","0.002","92.098","0.002","1500.6","0.4","200","","200","","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C31 H23 F3 Ni O5 P2 S -","- C31 H23 F3 Ni O5 P2 S -","- C62 H46 F6 Ni2 O10 P4 S2 -","2","1","","Salah, Abderrahmen B.; Zargarian, Davit","The impact of P-substituents on the structures, spectroscopic properties, and reactivities of POCOP-type pincer complexes of nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8977","8985","10.1039/c1dt10381d","","","0.71073","MoKα","","0.0472","0.0348","","","0.0892","0.094","","","","","","1.024","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016407","8.7434","0.0003","9.9182","0.0004","16.1169","0.0006","92.699","0.002","97.355","0.002","98.21","0.002","1368.89","0.09","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C32 H26 Ni O4 P2 -","- C32 H26 Ni O4 P2 -","- C64 H52 Ni2 O8 P4 -","2","1","","Salah, Abderrahmen B.; Zargarian, Davit","The impact of P-substituents on the structures, spectroscopic properties, and reactivities of POCOP-type pincer complexes of nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8977","8985","10.1039/c1dt10381d","","","1.54178","CuKα","","0.0738","0.0646","","","0.1772","0.1866","","","","","","1.065","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016408","28.9769","0.0004","10.4287","0.0002","17.1986","0.0003","90","","90.305","0.001","90","","5197.2","0.15","150","","150","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N Ni O2 P2 -","- C31 H23 N Ni O2 P2 -","- C248 H184 N8 Ni8 O16 P16 -","8","2","","Salah, Abderrahmen B.; Zargarian, Davit","The impact of P-substituents on the structures, spectroscopic properties, and reactivities of POCOP-type pincer complexes of nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8977","8985","10.1039/c1dt10381d","","","1.54178","CuKα","","0.066","0.0475","","","0.1198","0.1271","","","","","","0.937","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016409","19.5871","0.001","14.6211","0.0007","10.5024","0.0005","90","","90","","90","","3007.7","0.3","150","","150","2","","","","","","","Synthesized by the authors. See text","5","P n a 21","P 2c -2n","33","","","","- C38 H28 Ni O2 P2 -","- C38 H28 Ni O2 P2 -","- C152 H112 Ni4 O8 P8 -","4","1","","Salah, Abderrahmen B.; Zargarian, Davit","The impact of P-substituents on the structures, spectroscopic properties, and reactivities of POCOP-type pincer complexes of nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8977","8985","10.1039/c1dt10381d","","","0.71073","MoKα","","0.0378","0.0283","","","0.0575","0.06","","","","","","0.955","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016410","9.7813","0.0008","9.9448","0.0009","12.5211","0.0011","84.787","0.002","80.688","0.001","88.797","0.001","1196.92","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Co2 N12 O8 -","- C18 H16 Co2 N12 O8 -","- C36 H32 Co4 N24 O16 -","2","1","","Yang, En-Cui; Liu, Zhong-Yi; Liu, Tian-Yu; Li, Li-Ly; Zhao, Xiao-Jun","Co-ligand-directed structural and magnetic diversities in an anisotropic Co(II)-triazolate system.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8132","8139","10.1039/c1dt10394f","","","0.71073","MoKα","","0.0423","0.033","","","0.076","0.0813","","","","","","1.037","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016411","9.8163","0.0004","9.8163","0.0004","28.0099","0.0015","90","","90","","90","","2699","0.2","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C11 H11 Co N5 O7 -","- C11 H11 Co N5 O7 -","- C88 H88 Co8 N40 O56 -","8","1","","Yang, En-Cui; Liu, Zhong-Yi; Liu, Tian-Yu; Li, Li-Ly; Zhao, Xiao-Jun","Co-ligand-directed structural and magnetic diversities in an anisotropic Co(II)-triazolate system.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8132","8139","10.1039/c1dt10394f","","","0.71073","MoKα","","0.0192","0.0186","","","0.0477","0.0479","","","","","","1.005","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016412","7.4406","0.0005","15.9099","0.0011","9.3763","0.0005","90","","128.827","0.003","90","","864.71","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Co2 N5 O12 -","- C12 H15 Co2 N5 O12 -","- C24 H30 Co4 N10 O24 -","2","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Liu, Tian-Yu; Li, Li-Ly; Zhao, Xiao-Jun","Co-ligand-directed structural and magnetic diversities in an anisotropic Co(II)-triazolate system.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8132","8139","10.1039/c1dt10394f","","","0.71073","MoKα","","0.0993","0.0987","","","0.2387","0.2389","","","","","","1.084","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016413","7.7037","0.0005","16.965","0.0012","17.1737","0.0012","90","","90","","90","","2244.5","0.3","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Cl4 Hg N2 O3 -","- C16 H28 Cl4 Hg N2 O3 -","- C64 H112 Cl16 Hg4 N8 O12 -","4","1","","Beleaga, Anca; Bojan, Vilma R.; Pöllnitz, Alpar; Raţ, Ciprian I; Silvestru, Cristian","Organomercury(ii) and tellurium(ii) compounds with the ""pincer"" ligand 2,6-[O(CH(2)CH(2))(2)NCH(2)](2)C(6)H(3)- stabilization of an unusual organotellurium(ii) cationic species.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8830","8838","10.1039/c1dt10414d","","","0.71073","MoKα","","0.037","0.0339","","","0.0727","0.0738","","","","","","1.092","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016414","9.9793","0.0013","20.08","0.003","10.5966","0.0013","90","","96.489","0.003","90","","2109.8","0.5","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl3 Hg N2 O2 Te -","- C16 H23 Cl3 Hg N2 O2 Te -","- C64 H92 Cl12 Hg4 N8 O8 Te4 -","4","1","","Beleaga, Anca; Bojan, Vilma R.; Pöllnitz, Alpar; Raţ, Ciprian I; Silvestru, Cristian","Organomercury(ii) and tellurium(ii) compounds with the ""pincer"" ligand 2,6-[O(CH(2)CH(2))(2)NCH(2)](2)C(6)H(3)- stabilization of an unusual organotellurium(ii) cationic species.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8830","8838","10.1039/c1dt10414d","","","0.71073","MoKα","","0.0705","0.0538","","","0.1102","0.116","","","","","","1.134","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016415","14.38","0.009","11.502","0.007","9.591","0.006","90","","94.558","0.011","90","","1581.3","1.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C64 H96 N8 O8 -","4","1","","Beleaga, Anca; Bojan, Vilma R.; Pöllnitz, Alpar; Raţ, Ciprian I; Silvestru, Cristian","Organomercury(ii) and tellurium(ii) compounds with the ""pincer"" ligand 2,6-[O(CH(2)CH(2))(2)NCH(2)](2)C(6)H(3)- stabilization of an unusual organotellurium(ii) cationic species.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8830","8838","10.1039/c1dt10414d","","","0.71073","MoKα","","0.2051","0.1566","","","0.3664","0.397","","","","","","1.119","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016416","9.7841","0.0008","10.0718","0.0008","18.2607","0.0015","90","","99.376","0.001","90","","1775.4","0.2","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl Hg N2 O2 -","- C16 H23 Cl Hg N2 O2 -","- C64 H92 Cl4 Hg4 N8 O8 -","4","1","","Beleaga, Anca; Bojan, Vilma R.; Pöllnitz, Alpar; Raţ, Ciprian I; Silvestru, Cristian","Organomercury(ii) and tellurium(ii) compounds with the ""pincer"" ligand 2,6-[O(CH(2)CH(2))(2)NCH(2)](2)C(6)H(3)- stabilization of an unusual organotellurium(ii) cationic species.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8830","8838","10.1039/c1dt10414d","","","0.71073","MoKα","","0.0372","0.0334","","","0.068","0.0695","","","","","","1.186","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016417","19.823","0.014","10.425","0.008","18.926","0.014","90","","90","","90","","3911","5","297","2","297","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H26 Hg N2 O4 -","- C18 H26 Hg N2 O4 -","- C144 H208 Hg8 N16 O32 -","8","1","","Beleaga, Anca; Bojan, Vilma R.; Pöllnitz, Alpar; Raţ, Ciprian I; Silvestru, Cristian","Organomercury(ii) and tellurium(ii) compounds with the ""pincer"" ligand 2,6-[O(CH(2)CH(2))(2)NCH(2)](2)C(6)H(3)- stabilization of an unusual organotellurium(ii) cationic species.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8830","8838","10.1039/c1dt10414d","","","0.71073","MoKα","","0.0666","0.0469","","","0.0828","0.0889","","","","","","1.143","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016418","8.7558","0.0015","9.0435","0.0016","14.117","0.002","92.266","0.003","91.932","0.003","116.719","0.003","996","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H8 Al3 Fe N4 O16 P4 -","- C6 H8 Al3 Fe N4 O16 P4 -","- C12 H16 Al6 Fe2 N8 O32 P8 -","2","1","","Guo, Yanan; Song, Xiaowei; Li, Jiyang; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren","Syntheses and characterizations of heteroatom-containing open-framework aluminophosphates.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9289","9294","10.1039/c1dt10430f","","","0.71073","MoKα","","0.1099","0.0668","","","0.1548","0.1789","","","","","","1.046","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016419","10.343","0.009","11.707","0.006","12.276","0.006","104.91","0.04","109.42","0.05","95.39","0.04","1328.1","1.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cu4 N4 Te4 -","- C20 H16 Cu4 N4 Te4 -","- C40 H32 Cu8 N8 Te8 -","2","1","","Sharma, Rakesh K.; Kedarnath, G.; Jain, Vimal K.; Wadawale, Amey; Pillai, C. G. S.; Nalliath, Manoj; Vishwanadh, B.","Copper(i) 2-pyridyl selenolates and tellurolates: Synthesis, structures and their utility as molecular precursors for the preparation of copper chalcogenide nanocrystals and thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9194","9201","10.1039/c1dt10461f","","","0.71069","MoKα","","0.2293","0.0602","","","0.111","0.1523","","","","","","0.942","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016420","20","0.004","19.505","0.005","19.639","0.005","90","","118.418","0.017","90","","6738","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cu4 N4 Se4 -","- C30 H30 Cu4 N4 Se4 -","- C240 H240 Cu32 N32 Se32 -","8","2","","Sharma, Rakesh K.; Kedarnath, G.; Jain, Vimal K.; Wadawale, Amey; Pillai, C. G. S.; Nalliath, Manoj; Vishwanadh, B.","Copper(i) 2-pyridyl selenolates and tellurolates: Synthesis, structures and their utility as molecular precursors for the preparation of copper chalcogenide nanocrystals and thin films.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9194","9201","10.1039/c1dt10461f","","","0.71069","MoKα","","0.3519","0.0648","","","0.0973","0.1557","","","","","","0.885","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016421","19.02","0.008","14.289","0.006","18.525","0.008","90","","96.193","0.006","90","","5005","4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Cl2 Cu N6 O2 -","- C34 H34 Cl2 Cu N6 O2 -","- C204 H204 Cl12 Cu6 N36 O12 -","6","1.5","","Murtaza, Ghulam; Badshah, Amin; Said, Muhammad; Khan, Hizbullah; Khan, Ajmal; Khan, Samreen; Siddiq, Sadia; Choudhary, M. Iqbal; Boudreau, Josée; Fontaine, Frédéric-Georges","Urease inhibition and anti-leishmanial assay of substituted benzoylguanidines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9202","9211","10.1039/c1dt10464k","","","0.71073","MoKα","","0.1047","0.0587","","","0.1428","0.1673","","","","","","1.019","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016422","10.0536","0.0015","14.736","0.002","12.5743","0.0019","90","","113.06","0.002","90","","1714","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl N3 O -","- C18 H20 Cl N3 O -","- C72 H80 Cl4 N12 O4 -","4","1","","Murtaza, Ghulam; Badshah, Amin; Said, Muhammad; Khan, Hizbullah; Khan, Ajmal; Khan, Samreen; Siddiq, Sadia; Choudhary, M. Iqbal; Boudreau, Josée; Fontaine, Frédéric-Georges","Urease inhibition and anti-leishmanial assay of substituted benzoylguanidines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9202","9211","10.1039/c1dt10464k","","","0.71073","MoKα","","0.0933","0.0439","","","0.0831","0.1005","","","","","","1.001","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016423","40.2231","0.0018","40.2231","0.0018","11.5607","0.0011","90","","90","","120","","16198.2","1.9","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H38 Cl2 Cu N6 O2 -","- C36 H38 Cl2 Cu N6 O2 -","- C648 H684 Cl36 Cu18 N108 O36 -","18","1","","Murtaza, Ghulam; Badshah, Amin; Said, Muhammad; Khan, Hizbullah; Khan, Ajmal; Khan, Samreen; Siddiq, Sadia; Choudhary, M. Iqbal; Boudreau, Josée; Fontaine, Frédéric-Georges","Urease inhibition and anti-leishmanial assay of substituted benzoylguanidines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9202","9211","10.1039/c1dt10464k","","","0.71073","MoKα","","0.0749","0.0433","","","0.1015","0.1155","","","","","","1.04","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016424","13.5978","0.0019","11.6143","0.0016","20.15","0.003","90","","98.91","0.002","90","","3143.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Cl N3 O -","- C17 H18 Cl N3 O -","- C136 H144 Cl8 N24 O8 -","8","2","","Murtaza, Ghulam; Badshah, Amin; Said, Muhammad; Khan, Hizbullah; Khan, Ajmal; Khan, Samreen; Siddiq, Sadia; Choudhary, M. Iqbal; Boudreau, Josée; Fontaine, Frédéric-Georges","Urease inhibition and anti-leishmanial assay of substituted benzoylguanidines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9202","9211","10.1039/c1dt10464k","","","0.71073","MoKα","","0.1","0.0495","","","0.1075","0.1339","","","","","","1.008","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016425","17.3144","0.0004","11.9885","0.0003","17.2423","0.0005","90","","103.392","0.0012","90","","3481.73","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Au2 Cl2 P2 -","- C36 H28 Au2 Cl2 P2 -","- C144 H112 Au8 Cl8 P8 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8887","8895","10.1039/c1dt10482a","","","0.71073","MoKα","","0.0689","0.0381","","","0.0683","0.0743","","","","","","1.01","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016426","6.6826","0.0003","13.6265","0.0007","17.6772","0.0013","90","","111.916","0.002","90","","1493.36","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Cl3 N2 Ti -","- C12 H19 Cl3 N2 Ti -","- C48 H76 Cl12 N8 Ti4 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8887","8895","10.1039/c1dt10482a","","","0.71073","MoKα","","0.021","0.0188","","","0.0503","0.0516","","","","","","1.099","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016427","13.8197","0.0003","8.63181","0.00009","13.40706","0.00008","90","","90","","90","","1599.32","0.04","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H19 Cl4 N2 Nb -","- C12 H19 Cl4 N2 Nb -","- C48 H76 Cl16 N8 Nb4 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8887","8895","10.1039/c1dt10482a","","","0.71073","MoKα","","0.0157","0.0134","","","0.0314","0.032","","","","","","1.061","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016428","8.1127","0.0003","16.9371","0.0007","14.3078","0.0004","90","","98.975","0.002","90","","1941.9","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H25 Cl2 N2 V -","- C18 H25 Cl2 N2 V -","- C72 H100 Cl8 N8 V4 -","4","0.5","","Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8887","8895","10.1039/c1dt10482a","","","0.71073","MoKα","","0.0377","0.029","","","0.0693","0.0734","","","","","","1.064","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016429","8.1813","0.0003","19.5313","0.0007","15.4144","0.0004","90","","91.718","0.001","90","","2461.98","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cl N4 Ti -","- C24 H37 Cl N4 Ti -","- C96 H148 Cl4 N16 Ti4 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8887","8895","10.1039/c1dt10482a","","","0.71073","MoKα","","0.0434","0.0311","","","0.072","0.0776","","","","","","1.057","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016430","13.8993","0.0005","20.8772","0.0008","8.5239","0.0003","90","","123.235","0.002","90","","2068.87","0.14","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H14 Cl5 N3 Nd2 O2 -","- C15 H11 Cl5 N3 Nd2 O2 -","- C60 H44 Cl20 N12 Nd8 O8 -","4","0.5","","Lhoste, Jérôme; Pérez-Campos, Ana; Henry, Natacha; Loiseau, Thierry; Rabu, Pierre; Abraham, Francis","Chain-like and dinuclear coordination polymers in lanthanide (Nd, Eu) oxochloride complexes with 2,2':6',2''-terpyridine: synthesis, XRD structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9136","9144","10.1039/c1dt10485c","","","0.71073","MoKα","","0.047","0.032","","","0.0927","0.1145","","","","","","1.198","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016431","13.7211","0.0008","20.7195","0.0013","8.5408","0.0005","90","","123.305","0.002","90","","2029.3","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H14 Cl5 Eu2 N3 O2 -","- C15 H11 Cl5 Eu2 N3 O2 -","- C60 H44 Cl20 Eu8 N12 O8 -","4","0.5","","Lhoste, Jérôme; Pérez-Campos, Ana; Henry, Natacha; Loiseau, Thierry; Rabu, Pierre; Abraham, Francis","Chain-like and dinuclear coordination polymers in lanthanide (Nd, Eu) oxochloride complexes with 2,2':6',2''-terpyridine: synthesis, XRD structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9136","9144","10.1039/c1dt10485c","","","0.71073","MoKα","","0.061","0.0361","","","0.106","0.1419","","","","","","1.227","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016432","9.777","0.0003","9.9885","0.0003","10.2489","0.0003","94.523","0.001","109.856","0.001","112.854","0.001","841.44","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl3 N3 Nd O -","- C15 H13 Cl3 N3 Nd O -","- C30 H26 Cl6 N6 Nd2 O2 -","2","1","","Lhoste, Jérôme; Pérez-Campos, Ana; Henry, Natacha; Loiseau, Thierry; Rabu, Pierre; Abraham, Francis","Chain-like and dinuclear coordination polymers in lanthanide (Nd, Eu) oxochloride complexes with 2,2':6',2''-terpyridine: synthesis, XRD structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9136","9144","10.1039/c1dt10485c","","","0.71073","MoKα","","0.0187","0.0159","","","0.0465","0.057","","","","","","1.256","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016433","9.7389","0.0003","9.9001","0.0003","10.1406","0.0003","94.718","0.001","109.896","0.001","112.475","0.001","823.77","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl3 Eu N3 O -","- C15 H13 Cl3 Eu N3 O -","- C30 H26 Cl6 Eu2 N6 O2 -","2","1","","Lhoste, Jérôme; Pérez-Campos, Ana; Henry, Natacha; Loiseau, Thierry; Rabu, Pierre; Abraham, Francis","Chain-like and dinuclear coordination polymers in lanthanide (Nd, Eu) oxochloride complexes with 2,2':6',2''-terpyridine: synthesis, XRD structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9136","9144","10.1039/c1dt10485c","","","0.71073","MoKα","","0.0206","0.0182","","","0.0498","0.0618","","","","","","1.22","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016434","7.0402","0.0006","15.9083","0.0014","17.0698","0.0015","90","","94.596","0.002","90","","1905.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl2 Fe N3 O2.5 -","- C14 H16 Cl2 Fe N3 O2.5 -","- C56 H64 Cl8 Fe4 N12 O10 -","4","2","","Sundaravel, Karuppasamy; Sankaralingam, Muniyandi; Suresh, Eringathodi; Palaniandavar, Mallayan","Biomimetic iron(iii) complexes of N(3)O and N(3)O(2) donor ligands: protonation of coordinated ethanolate donor enhances dioxygenase activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8444","8458","10.1039/c1dt10495k","","","0.71073","MoKα","","0.0665","0.0627","","","0.1532","0.1558","","","","","","1.117","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016435","7.358","0.008","19.495","0.019","13.953","0.015","90","","103.352","0.017","90","","1947","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl3 Fe N3 O2 -","- C16 H21 Cl3 Fe N3 O2 -","- C64 H84 Cl12 Fe4 N12 O8 -","4","1","","Sundaravel, Karuppasamy; Sankaralingam, Muniyandi; Suresh, Eringathodi; Palaniandavar, Mallayan","Biomimetic iron(iii) complexes of N(3)O and N(3)O(2) donor ligands: protonation of coordinated ethanolate donor enhances dioxygenase activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8444","8458","10.1039/c1dt10495k","","","0.71073","MoKα","","0.1141","0.0813","","","0.1674","0.1837","","","","","","1.16","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016436","8.1513","0.0007","12.0527","0.001","17.3786","0.0015","90","","90.675","0.001","90","","1707.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl4 Fe2 N10 O10 -","- C24 H36 Cl4 Fe2 N10 O10 -","- C48 H72 Cl8 Fe4 N20 O20 -","2","0.5","","Sundaravel, Karuppasamy; Sankaralingam, Muniyandi; Suresh, Eringathodi; Palaniandavar, Mallayan","Biomimetic iron(iii) complexes of N(3)O and N(3)O(2) donor ligands: protonation of coordinated ethanolate donor enhances dioxygenase activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8444","8458","10.1039/c1dt10495k","","","0.71073","MoKα","","0.0686","0.0606","","","0.1552","0.16","","","","","","1.09","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016437","15.2063","0.0012","12.2374","0.0007","18.2326","0.0014","90","","101.606","0.006","90","","3323.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H50 Al4 F4 O8 -","- C21 H50 Al4 F4 O8 -","- C84 H200 Al16 F16 O32 -","4","0.5","","König, R; Scholz, G.; Veiczi, M.; Jäger, C; Troyanov, S. I.; Kemnitz, E.","New crystalline aluminum alkoxide oxide fluorides: Evidence of the mechanism of the fluorolytic sol-gel reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8701","8710","10.1039/c1dt10514k","","","0.71073","MoKα","","0.1273","0.0919","","","0.2295","0.2526","","","","","","1.026","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016438","9.7613","0.0007","18.6429","0.0014","19.1726","0.0015","87.9","0.006","86.201","0.006","87.603","0.006","3476.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H106 Al9 F9 O17 -","- C45 H106 Al9 F9 O17 -","- C90 H212 Al18 F18 O34 -","2","1","","König, R; Scholz, G.; Veiczi, M.; Jäger, C; Troyanov, S. I.; Kemnitz, E.","New crystalline aluminum alkoxide oxide fluorides: Evidence of the mechanism of the fluorolytic sol-gel reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8701","8710","10.1039/c1dt10514k","","","0.71073","MoKα","","0.1697","0.1122","","","0.2577","0.277","","","","","","1.195","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016439","10.7854","0.0005","13.6679","0.0006","20.0924","0.0009","96.679","0.004","100.678","0.004","100.788","0.004","2824","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H150 Al16 F20 O26 -","- C66 H150 Al16 F20 O26 -","- C66 H150 Al16 F20 O26 -","1","0.5","","König, R; Scholz, G.; Veiczi, M.; Jäger, C; Troyanov, S. I.; Kemnitz, E.","New crystalline aluminum alkoxide oxide fluorides: Evidence of the mechanism of the fluorolytic sol-gel reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8701","8710","10.1039/c1dt10514k","","","0.71073","MoKα","","0.1304","0.077","","","0.172","0.1912","","","","","","1.083","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016440","16.9284","0.0017","16.2096","0.0017","38.129","0.004","90","","95.261","0.004","90","","10418.6","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28.125 Cl2 Cu N3 O3.375 S -","- C20 H26.8 Cl2 Cu N3 O3.375 S -","- C320 H428.8 Cl32 Cu16 N48 O54 S16 -","16","2","","Vasilescu, I. M.; Baldwin, D. S.; Bourne, D. J.; Clegg, J. K.; Li, F.; Lindoy, L. F.; Meehan, G. V.","Interaction of Co(ii), Ni(ii) and Cu(ii) with dibenzo-substituted macrocyclic ligands incorporating both symmetrically and unsymmetrically arranged N, O and S donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8675","8684","10.1039/c1dt10523j","","","0.71073","MoKα","","0.0988","0.0837","","","0.2343","0.2465","","","","","","1.056","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7016441","12.0787","0.0008","18.0874","0.0013","24.7617","0.0018","90","","100.238","0.002","90","","5323.6","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.25 H34.875 Cl2 N3.125 Ni O5.75 -","- C20.25 H30.125 Cl2 N3.125 Ni O5.75 -","- C162 H241 Cl16 N25 Ni8 O46 -","8","2","","Vasilescu, I. M.; Baldwin, D. S.; Bourne, D. J.; Clegg, J. K.; Li, F.; Lindoy, L. F.; Meehan, G. V.","Interaction of Co(ii), Ni(ii) and Cu(ii) with dibenzo-substituted macrocyclic ligands incorporating both symmetrically and unsymmetrically arranged N, O and S donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8675","8684","10.1039/c1dt10523j","","","0.71073","MoKα","","0.111","0.0778","","","0.2317","0.2631","","","","","","1.053","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016442","9.1852","0.001","10.0015","0.0009","10.9234","0.0008","71.742","0.006","86.09","0.007","73.961","0.008","915.69","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C40 H54 N6 O4 -","2","1","","Vasilescu, I. M.; Baldwin, D. S.; Bourne, D. J.; Clegg, J. K.; Li, F.; Lindoy, L. F.; Meehan, G. V.","Interaction of Co(ii), Ni(ii) and Cu(ii) with dibenzo-substituted macrocyclic ligands incorporating both symmetrically and unsymmetrically arranged N, O and S donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8675","8684","10.1039/c1dt10523j","","","0.71073","MoKα","","0.0868","0.0604","","","0.1555","0.173","","","","","","1.053","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016443","8.9772","0.0008","11.2223","0.0008","11.6609","0.0015","116.367","0.008","110.079","0.009","94.316","0.006","951.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N3 O S -","- C20 H27 N3 O S -","- C40 H54 N6 O2 S2 -","2","1","","Vasilescu, I. M.; Baldwin, D. S.; Bourne, D. J.; Clegg, J. K.; Li, F.; Lindoy, L. F.; Meehan, G. V.","Interaction of Co(ii), Ni(ii) and Cu(ii) with dibenzo-substituted macrocyclic ligands incorporating both symmetrically and unsymmetrically arranged N, O and S donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8675","8684","10.1039/c1dt10523j","","","0.71073","MoKα","","0.0733","0.0539","","","0.1143","0.1234","","","","","","1.054","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016444","9.4397","0.0012","10.841","0.0014","11.552","0.002","104.996","0.013","104.979","0.013","111.385","0.009","978.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N3 S2 -","- C20 H27 N3 S2 -","- C40 H54 N6 S4 -","2","1","","Vasilescu, I. M.; Baldwin, D. S.; Bourne, D. J.; Clegg, J. K.; Li, F.; Lindoy, L. F.; Meehan, G. V.","Interaction of Co(ii), Ni(ii) and Cu(ii) with dibenzo-substituted macrocyclic ligands incorporating both symmetrically and unsymmetrically arranged N, O and S donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8675","8684","10.1039/c1dt10523j","","","0.71073","MoKα","","0.0824","0.0644","","","0.121","0.1274","","","","","","1.178","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016445","16.696","0.002","15.556","0.002","8.894","0.0012","90","","90.522","0.002","90","","2309.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H34 Cl2 N4 Ni O4 -","- C20 H34 Cl2 N4 Ni O4 -","- C80 H136 Cl8 N16 Ni4 O16 -","4","0.5","","Vasilescu, I. M.; Baldwin, D. S.; Bourne, D. J.; Clegg, J. K.; Li, F.; Lindoy, L. F.; Meehan, G. V.","Interaction of Co(ii), Ni(ii) and Cu(ii) with dibenzo-substituted macrocyclic ligands incorporating both symmetrically and unsymmetrically arranged N, O and S donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8675","8684","10.1039/c1dt10523j","","","0.71073","MoKα","","0.0339","0.032","","","0.0863","0.0876","","","","","","1.091","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016446","21.9824","0.0012","8.3281","0.0004","26.8453","0.0015","90","","97.319","0.003","90","","4874.6","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 Cl2 Cu N5 O -","- C22 H31 Cl2 Cu N5 O -","- C176 H248 Cl16 Cu8 N40 O8 -","8","1","","Vasilescu, I. M.; Baldwin, D. S.; Bourne, D. J.; Clegg, J. K.; Li, F.; Lindoy, L. F.; Meehan, G. V.","Interaction of Co(ii), Ni(ii) and Cu(ii) with dibenzo-substituted macrocyclic ligands incorporating both symmetrically and unsymmetrically arranged N, O and S donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8675","8684","10.1039/c1dt10523j","","","0.71073","MoKα","","0.0538","0.0338","","","0.0764","0.0842","","","","","","1.026","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016447","10.629","0.0006","9.932","0.0005","22.721","0.0013","90","","90.271","0.005","90","","2398.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl2 Cu N4 O2 -","- C22 H30 Cl2 Cu N4 O2 -","- C88 H120 Cl8 Cu4 N16 O8 -","4","1","","Vasilescu, I. M.; Baldwin, D. S.; Bourne, D. J.; Clegg, J. K.; Li, F.; Lindoy, L. F.; Meehan, G. V.","Interaction of Co(ii), Ni(ii) and Cu(ii) with dibenzo-substituted macrocyclic ligands incorporating both symmetrically and unsymmetrically arranged N, O and S donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8675","8684","10.1039/c1dt10523j","","","0.71073","MoKα","","0.0291","0.0241","","","0.076","0.0932","","","","","","1.179","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016448","11.3132","0.0004","13.443","0.0005","18.4935","0.0007","75.796","0.001","77.788","0.001","86.892","0.001","2664.86","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(N((C3F7)C(C6F5)N)2)Ag(PPh3)2","","","- C56 H30 Ag F24 N3 P2 -","- C56 H30 Ag F24 N3 P2 -","- C112 H60 Ag2 F48 N6 P4 -","2","1","","Dias, H. V. Rasika; Flores, Jaime A.; Pellei, Maura; Morresi, Barbara; Lobbia, Giancarlo Gioia; Singh, Shreeyukta; Kobayashi, Yoshihiro; Yousufuddin, Muhammed; Santini, Carlo","Silver(i) and copper(i) complexes supported by fully fluorinated 1,3,5-triazapentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8569","8580","10.1039/c1dt10524h","","","0.71073","MoKα","","0.0393","0.0342","","","0.0869","0.0901","","","","","","1.041","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016449","20.3464","0.0014","16.8298","0.0012","19.7746","0.0014","90","","115.546","0.001","90","","6109.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(N((CF3)C(C6F5)N)2)Cu(CNtBu)2","","","- C26 H18 Cu F16 N5 -","- C26 H18 Cu F16 N5 -","- C208 H144 Cu8 F128 N40 -","8","1","","Dias, H. V. Rasika; Flores, Jaime A.; Pellei, Maura; Morresi, Barbara; Lobbia, Giancarlo Gioia; Singh, Shreeyukta; Kobayashi, Yoshihiro; Yousufuddin, Muhammed; Santini, Carlo","Silver(i) and copper(i) complexes supported by fully fluorinated 1,3,5-triazapentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8569","8580","10.1039/c1dt10524h","","","0.71073","MoKα","","0.0367","0.032","","","0.081","0.0845","","","","","","1.049","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016450","19.948","0.0008","11.496","0.0005","13.2404","0.0005","90","","90.466","0.001","90","","3036.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(N((CF3)C(C6F5)N)2)Ag(CNtBu)2","","","- C26 H18 Ag F16 N5 -","- C26 H18 Ag F16 N5 -","- C104 H72 Ag4 F64 N20 -","4","1","","Dias, H. V. Rasika; Flores, Jaime A.; Pellei, Maura; Morresi, Barbara; Lobbia, Giancarlo Gioia; Singh, Shreeyukta; Kobayashi, Yoshihiro; Yousufuddin, Muhammed; Santini, Carlo","Silver(i) and copper(i) complexes supported by fully fluorinated 1,3,5-triazapentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8569","8580","10.1039/c1dt10524h","","","0.71073","MoKα","","0.0402","0.0374","","","0.0951","0.0971","","","","","","1.138","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016451","7.66","0.002","7.236","0.002","31.921","0.009","90","","90.188","0.003","90","","1769.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(N((CF3)C(C6F5)N)2)H","","","- C16 H F16 N3 -","- C16 H F16 N3 -","- C64 H4 F64 N12 -","4","1","","Dias, H. V. Rasika; Flores, Jaime A.; Pellei, Maura; Morresi, Barbara; Lobbia, Giancarlo Gioia; Singh, Shreeyukta; Kobayashi, Yoshihiro; Yousufuddin, Muhammed; Santini, Carlo","Silver(i) and copper(i) complexes supported by fully fluorinated 1,3,5-triazapentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8569","8580","10.1039/c1dt10524h","","","0.71073","MoKα","","0.0475","0.0455","","","0.1185","0.1202","","","","","","1.033","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016452","11.3585","0.0009","16.9513","0.0014","24.725","0.002","90","","93.422","0.001","90","","4752.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(N((CF3)C(C6F5)N)2)Ag(PPh3)2","","","- C52 H30 Ag F16 N3 P2 -","- C52 H30 Ag F16 N3 P2 -","- C208 H120 Ag4 F64 N12 P8 -","4","1","","Dias, H. V. Rasika; Flores, Jaime A.; Pellei, Maura; Morresi, Barbara; Lobbia, Giancarlo Gioia; Singh, Shreeyukta; Kobayashi, Yoshihiro; Yousufuddin, Muhammed; Santini, Carlo","Silver(i) and copper(i) complexes supported by fully fluorinated 1,3,5-triazapentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8569","8580","10.1039/c1dt10524h","","","0.71073","MoKα","","0.0648","0.042","","","0.0903","0.1006","","","","","","1.025","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016453","15.6234","0.0019","19.773","0.002","35.489","0.004","90","","96.133","0.002","90","","10901","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(N((C3F7)C(C6F5)N)2)Ag(CNtBu)2","","","- C30 H18 Ag F24 N5 -","- C30 H18 Ag F24 N5 -","- C360 H216 Ag12 F288 N60 -","12","3","","Dias, H. V. Rasika; Flores, Jaime A.; Pellei, Maura; Morresi, Barbara; Lobbia, Giancarlo Gioia; Singh, Shreeyukta; Kobayashi, Yoshihiro; Yousufuddin, Muhammed; Santini, Carlo","Silver(i) and copper(i) complexes supported by fully fluorinated 1,3,5-triazapentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8569","8580","10.1039/c1dt10524h","","","0.71073","MoKα","","0.0765","0.0571","","","0.1455","0.1612","","","","","","1.047","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016454","16.617","0.006","10.69","0.004","25.34","0.008","90","","93.252","0.012","90","","4494","3","83","2","83","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 P3 Pd Si -","- C55 H47 P3 Pd Si -","- C220 H188 P12 Pd4 Si4 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Reaction of bis(o-phosphinophenyl)silane with M(PPh(3))(4) (M = Ni, Pd, Pt): synthesis and structural analysis of η(2)-(Si-H) metal(0) and pentacoordinate silyl metal(ii) hydride complexes of the Ni triad bearing a PSiP-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8814","8821","10.1039/c1dt10526d","","","0.71073","MoKα","","0.0447","0.0326","","","0.0744","0.0816","","","","","","1.031","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016455","12.2584","0.0004","18.3081","0.0008","19.6284","0.0008","91.3972","0.0013","90.1161","0.0012","90.9045","0.0012","4403.3","0.3","173.1","","173.1","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H47 Ni P3 Si -","- C55 H47 Ni P3 Si -","- C220 H188 Ni4 P12 Si4 -","4","2","","Takaya, Jun; Iwasawa, Nobuharu","Reaction of bis(o-phosphinophenyl)silane with M(PPh(3))(4) (M = Ni, Pd, Pt): synthesis and structural analysis of η(2)-(Si-H) metal(0) and pentacoordinate silyl metal(ii) hydride complexes of the Ni triad bearing a PSiP-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8814","8821","10.1039/c1dt10526d","","","0.71075","MoKα","","","0.034","","","","0.1229","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016456","19.567","0.003","12.9268","0.0014","19.692","0.003","90","","116.36","0.02","90","","4463","1.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C55 H47 P3 Pt Si -","- C55 H46 P3 Pt Si -","- C220 H184 P12 Pt4 Si4 -","4","1","","Takaya, Jun; Iwasawa, Nobuharu","Reaction of bis(o-phosphinophenyl)silane with M(PPh(3))(4) (M = Ni, Pd, Pt): synthesis and structural analysis of η(2)-(Si-H) metal(0) and pentacoordinate silyl metal(ii) hydride complexes of the Ni triad bearing a PSiP-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8814","8821","10.1039/c1dt10526d","","","0.71073","MoKα","","0.1068","0.0832","","","0.2017","0.2223","","","","","","1.065","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016457","9.7075","0.0006","9.7075","0.0006","42.701","0.003","90","","90","","120","","3484.8","0.4","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- K4 O24 Te3 V6 -","- K4 O24 Te3 V6 -","- K24 O144 Te18 V36 -","6","0.166667","","Zhu, Tianxiang; Qin, Jingui; Halasyamani, P. Shiv","Synthesis and structure of A(4)V(6)[Te(2)(4+)Te(6+)]O(24) (A = K, Rb)-two new quaternary mixed-valent tellurium oxides.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8527","8532","10.1039/c1dt10538h","","","0.71073","MoKα","","0.0186","0.0177","","","0.0432","0.0435","","","","","","1.215","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016458","9.8399","0.0009","9.8399","0.0009","43.012","0.004","90","","90","","120","","3606.6","0.6","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- O24 Rb4 Te3 V6 -","- O24 Rb4 Te3 V6 -","- O144 Rb24 Te18 V36 -","6","0.166667","","Zhu, Tianxiang; Qin, Jingui; Halasyamani, P. Shiv","Synthesis and structure of A(4)V(6)[Te(2)(4+)Te(6+)]O(24) (A = K, Rb)-two new quaternary mixed-valent tellurium oxides.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8527","8532","10.1039/c1dt10538h","","","0.71073","MoKα","","0.0301","0.0206","","","0.0473","0.0493","","","","","","1.061","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016459","10.5486","0.001","16.11","0.0015","15.8867","0.0015","90","","108.031","0.001","90","","2567.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 N2 Ni O13 -","- C21 H36 N2 Ni O13 -","- C84 H144 N8 Ni4 O52 -","4","1","","Pellico, Daniel; Gómez-Gallego, Mar; Escudero, Rosa; Ramírez-López, Pedro; Oliván, Montserrat; Sierra, Miguel A.","C-Branched chiral (racemic) macrocyclic amino acids: structure of their Ni(ii), Zn(ii) and Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9145","9153","10.1039/c1dt10539f","","","0.71073","MoKα","","0.0933","0.0429","","","0.0832","0.0958","","","","","","0.892","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016460","11.7777","0.0011","7.4694","0.0007","14.6265","0.0013","90","","107.052","0.001","90","","1230.2","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H32 N2 O10 Zn -","- C22 H32 N2 O10 Zn -","- C44 H64 N4 O20 Zn2 -","2","1","","Pellico, Daniel; Gómez-Gallego, Mar; Escudero, Rosa; Ramírez-López, Pedro; Oliván, Montserrat; Sierra, Miguel A.","C-Branched chiral (racemic) macrocyclic amino acids: structure of their Ni(ii), Zn(ii) and Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9145","9153","10.1039/c1dt10539f","","","0.71073","MoKα","","0.0747","0.0508","","","0.1152","0.1263","","","","","","0.963","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7016461","13.4667","0.0013","21.127","0.002","16.2489","0.0017","90","","92.054","0.002","90","","4620","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Cu2 N4 O15 -","- C42 H48 Cu2 N4 O15 -","- C168 H192 Cu8 N16 O60 -","4","0.5","","Pellico, Daniel; Gómez-Gallego, Mar; Escudero, Rosa; Ramírez-López, Pedro; Oliván, Montserrat; Sierra, Miguel A.","C-Branched chiral (racemic) macrocyclic amino acids: structure of their Ni(ii), Zn(ii) and Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9145","9153","10.1039/c1dt10539f","","","0.71073","MoKα","","0.1579","0.0739","","","0.2169","0.2682","","","","","","1.06","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016462","11.372","0.002","9.794","0.002","16.445","0.003","90","","94.82","0.03","90","","1825.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Cl4 N4 Ni2 O2 -","- C36 H44 Cl4 N4 Ni2 O2 -","- C72 H88 Cl8 N8 Ni4 O4 -","2","0.5","","Yu, Jiangang; Zeng, Yanning; Huang, Wei; Hao, Xiang; Sun, Wen-Hua","N-(5,6,7-Trihydroquinolin-8-ylidene)arylaminonickel dichlorides as highly active single-site pro-catalysts in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8436","8443","10.1039/c1dt10541h","","","0.71073","MoKα","","0.0521","0.0497","","","0.1091","0.1109","","","","","","1.166","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016463","14.658","0.003","10.414","0.002","14.753","0.003","90","","95.14","0.03","90","","2243","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl4 N4 Ni2 O2 -","- C44 H60 Cl4 N4 Ni2 O2 -","- C88 H120 Cl8 N8 Ni4 O4 -","2","0.5","","Yu, Jiangang; Zeng, Yanning; Huang, Wei; Hao, Xiang; Sun, Wen-Hua","N-(5,6,7-Trihydroquinolin-8-ylidene)arylaminonickel dichlorides as highly active single-site pro-catalysts in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8436","8443","10.1039/c1dt10541h","","","0.71073","MoKα","","0.0615","0.0552","","","0.1121","0.1153","","","","","","1.135","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016464","15.329","0.003","21.75","0.004","27.277","0.006","90","","90.39","0.03","90","","9094","3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H85 Ag2 Cl8 O6 P5 S2 -","- C95 H85 Ag2 Cl8 O6 P5 S2 -","- C380 H340 Ag8 Cl32 O24 P20 S8 -","4","1","","Tao, Xian; Shen, Kecheng; Feng, Meng; Tang, Qingyun; Fang, Jiangtao; Wang, Yulong; Shen, Yingzhong","Organophosphine/phosphite stabilized disilver(i) methanedisulphonates: synthesis, solid state structures and their potential use as MOCVD precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9250","9258","10.1039/c1dt10575b","","","0.71073","MoKα","","0.0643","0.0573","","","0.1311","0.1364","","","","","","1.032","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016465","12.475","0.003","15.116","0.003","16.3","0.003","64.9","0.03","67.97","0.03","74.61","0.03","2559.5","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H64 Ag4 O24 P4 S4 -","- C26 H64 Ag4 O24 P4 S4 -","- C52 H128 Ag8 O48 P8 S8 -","2","1","","Tao, Xian; Shen, Kecheng; Feng, Meng; Tang, Qingyun; Fang, Jiangtao; Wang, Yulong; Shen, Yingzhong","Organophosphine/phosphite stabilized disilver(i) methanedisulphonates: synthesis, solid state structures and their potential use as MOCVD precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9250","9258","10.1039/c1dt10575b","","","0.71073","MoKα","","0.0267","0.0221","","","0.0531","0.0545","","","","","","1.012","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016466","12.299","0.003","13.261","0.003","25.321","0.005","99.86","0.03","97.83","0.03","111.25","0.03","3702.7","1.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H72 Ag2 Cl2 O6 P4 S2 -","- C81 H72 Ag2 Cl2 O6 P4 S2 -","- C162 H144 Ag4 Cl4 O12 P8 S4 -","2","1","","Tao, Xian; Shen, Kecheng; Feng, Meng; Tang, Qingyun; Fang, Jiangtao; Wang, Yulong; Shen, Yingzhong","Organophosphine/phosphite stabilized disilver(i) methanedisulphonates: synthesis, solid state structures and their potential use as MOCVD precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9250","9258","10.1039/c1dt10575b","","","0.71073","MoKα","","0.084","0.0685","","","0.1744","0.1878","","","","","","1.067","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016467","13.2633","0.0014","14.7326","0.0016","17.4332","0.0018","106.729","0.002","95.934","0.002","112.653","0.002","2920.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H44 Cl4 Ir N P2 -","- C23.5 H44 Cl4 Ir N P2 -","- C94 H176 Cl16 Ir4 N4 P8 -","4","2","","Lokare, Kapil S.; Nielsen, Robert J.; Yousufuddin, Muhammed; Goddard Iii, William A.; Periana, Roy A.","Iridium complexes bearing a PNP ligand, favoring facile C(sp(3))-H bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9094","9097","10.1039/c1dt10577a","","","0.71073","MoKα","","0.0544","0.0448","","","0.1169","0.1283","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016468","14.348","0.004","11.993","0.003","16.442","0.004","90","","90.767","0.003","90","","2829","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 I2 Ir N P2 -","- C23 H42 I2 Ir N P2 -","- C92 H168 I8 Ir4 N4 P8 -","4","1","","Lokare, Kapil S.; Nielsen, Robert J.; Yousufuddin, Muhammed; Goddard Iii, William A.; Periana, Roy A.","Iridium complexes bearing a PNP ligand, favoring facile C(sp(3))-H bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9094","9097","10.1039/c1dt10577a","","","0.71073","MoKα","","0.0441","0.035","","","0.0837","0.0883","","","","","","1.049","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016469","12.941","0.005","14.771","0.005","17.93","0.005","74.135","0.005","87.832","0.005","89.739","0.005","3294.4","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Hexacarbonyl-bis(1,3,5,7-tetramethyl-8-pentyl-2,4,6-trioxa-8- phosphatricyclo (3.3.1.13,7)decane)-dicobalt","Hexacarbonyl-bis(1,3,5,7-tetramethyl-8-pentyl-2,4,6-trioxa-8-phosphatricyclo [3.3.1.13,7]decane)-dicobalt","","- C59 H92 Co3 O18 P3 -","- C59 H92 Co3 O18 P3 -","- C118 H184 Co6 O36 P6 -","2","1","","Bungu, Peter N.; Otto, Stefanus","Evaluation of ligand effects in the modified cobalt hydroformylation of 1-octene. Crystal structures of [Co(L)(CO)(3)](2) (L = PA-C(5), PCy(3) and PCyp(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9238","9249","10.1039/c1dt10581g","","","0.71069","MoKα","","0.0975","0.055","","","0.1197","0.1392","","","","","","1.013","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016470","14.763","0.0005","10.677","0.0003","14.88","0.0004","90","","119.298","0.001","90","","2045.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hexacarbonyl-bis(tricyclohexylphosphine)-dicobalt","Hexacarbonyl-bis(tricyclohexylphosphine)-dicobalt","","- C42 H66 Co2 O6 P2 -","- C42 H66 Co2 O6 P2 -","- C84 H132 Co4 O12 P4 -","2","0.5","","Bungu, Peter N.; Otto, Stefanus","Evaluation of ligand effects in the modified cobalt hydroformylation of 1-octene. Crystal structures of [Co(L)(CO)(3)](2) (L = PA-C(5), PCy(3) and PCyp(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9238","9249","10.1039/c1dt10581g","","","0.71069","MoKα","","0.0274","0.0227","","","0.0571","0.0598","","","","","","1.043","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016471","10.0823","0.0007","11.894","0.0009","15.1109","0.0011","86.804","0.002","88.797","0.003","83.983","0.002","1799.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Hexacarbonyl-bis(tricyclopentylphosphine)-dicobalt","Hexacarbonyl-bis(tricyclopentylphosphine)-dicobalt","","- C36 H54 Co2 O6 P2 -","- C36 H54 Co2 O6 P2 -","- C72 H108 Co4 O12 P4 -","2","1","","Bungu, Peter N.; Otto, Stefanus","Evaluation of ligand effects in the modified cobalt hydroformylation of 1-octene. Crystal structures of [Co(L)(CO)(3)](2) (L = PA-C(5), PCy(3) and PCyp(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9238","9249","10.1039/c1dt10581g","","","0.71073","MoKα","","0.0736","0.0586","","","0.1717","0.1854","","","","","","1.053","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016472","11.9244","0.0005","14.2882","0.0003","16.8801","0.0006","90","","90","","90","","2876","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 F6 N4 P Rh -","- C29 H38 F6 N4 P Rh -","- C116 H152 F24 N16 P4 Rh4 -","4","1","","Newman, Paul D.; Cavell, Kingsley J.; Hallett, Andrew J.; Kariuki, Benson M.","Rhodium and iridium complexes of an asymmetric bicyclic NHC bearing secondary pyridyl donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8807","8813","10.1039/c1dt10582e","","","0.71073","MoKα","","0.0925","0.079","","","0.1765","0.1884","","","","","","1.031","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016473","11.937","0.0006","14.3375","0.0005","16.8348","0.0009","90","","90","","90","","2881.2","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 F6 Ir N4 P -","- C29 H38 F6 Ir N4 P -","- C116 H152 F24 Ir4 N16 P4 -","4","1","","Newman, Paul D.; Cavell, Kingsley J.; Hallett, Andrew J.; Kariuki, Benson M.","Rhodium and iridium complexes of an asymmetric bicyclic NHC bearing secondary pyridyl donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8807","8813","10.1039/c1dt10582e","","","0.71073","MoKα","","0.0687","0.0628","","","0.1441","0.1489","","","","","","1.038","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016474","7.7855","0.0004","13.0809","0.0007","10.4136","0.0006","90","","92.393","0.001","90","","1059.61","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Cl2 Fe O8 P4 -","- C12 H32 Cl2 Fe O8 P4 -","- C24 H64 Cl4 Fe2 O16 P8 -","2","0.5","","Swor, Charles D.; Hanson, Kyle R.; Zakharov, Lev N.; Tyler, David R.","Reactions of coordinated hydroxymethylphosphines with NH-functional amines: the phosphorus lone pair is crucial for the phosphorus Mannich reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8604","8610","10.1039/c1dt10586h","","","0.71073","MoKα","","0.0509","0.0364","","","0.0761","0.0831","","","","","","1.115","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7016475","18.092","0.003","6.2042","0.0011","11.757","0.002","90","","100.688","0.003","90","","1296.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H22 B2 O4 P2 -","- C6 H22 B2 O4 P2 -","- C24 H88 B8 O16 P8 -","4","0.5","","Swor, Charles D.; Hanson, Kyle R.; Zakharov, Lev N.; Tyler, David R.","Reactions of coordinated hydroxymethylphosphines with NH-functional amines: the phosphorus lone pair is crucial for the phosphorus Mannich reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8604","8610","10.1039/c1dt10586h","","","0.71073","MoKα","","0.0642","0.0495","","","0.1148","0.1245","","","","","","1.077","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016476","8.8394","0.0004","12.3326","0.0005","23.5067","0.001","103.28","0.004","96.488","0.004","100.985","0.004","2415.13","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Cl4 N4 O2 Ru -","- C50 H54 Cl4 N4 O2 Ru -","- C100 H108 Cl8 N8 O4 Ru2 -","2","1","","Das, Dipanwita; Mondal, Tapan Kumar; Chowdhury, Abhishek Dutta; Weisser, Fritz; Schweinfurth, David; Sarkar, Biprajit; Mobin, Shaikh M.; Urbanos, Francisco A.; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar","Valence and spin situations in isomeric [(bpy)Ru(Q′)2]n (Q′ = 3,5-di-tert-butyl-N-aryl-1,2-benzoquinonemonoimine). An experimental and DFT analysis","Dalton Transactions","2011","40","33","8377","","10.1039/c1dt10609k","","","0.71073","MoKα","","0.1622","0.0677","","","0.0589","0.0734","","","","","","0.776","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016477","11.6914","0.0004","17.2733","0.0004","23.6512","0.0007","90","","101.16","0.003","90","","4686","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Cl4 N4 O2 Ru -","- C50 H54 Cl4 N4 O2 Ru -","- C200 H216 Cl16 N16 O8 Ru4 -","4","1","","Das, Dipanwita; Mondal, Tapan Kumar; Chowdhury, Abhishek Dutta; Weisser, Fritz; Schweinfurth, David; Sarkar, Biprajit; Mobin, Shaikh M.; Urbanos, Francisco A.; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar","Valence and spin situations in isomeric [(bpy)Ru(Q′)2]n (Q′ = 3,5-di-tert-butyl-N-aryl-1,2-benzoquinonemonoimine). An experimental and DFT analysis","Dalton Transactions","2011","40","33","8377","","10.1039/c1dt10609k","","","0.71073","MoKα","","0.0618","0.0338","","","0.0607","0.0638","","","","","","0.817","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016478","10.1872","0.0003","15.1077","0.0005","17.296","0.0004","78.698","0.002","82.659","0.002","71.615","0.003","2470.86","0.13","150","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 N4 O6 Ru -","- C54 H66 N4 O6 Ru -","- C108 H132 N8 O12 Ru2 -","2","1","","Das, Dipanwita; Mondal, Tapan Kumar; Chowdhury, Abhishek Dutta; Weisser, Fritz; Schweinfurth, David; Sarkar, Biprajit; Mobin, Shaikh M.; Urbanos, Francisco A.; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar","Valence and spin situations in isomeric [(bpy)Ru(Q′)2]n (Q′ = 3,5-di-tert-butyl-N-aryl-1,2-benzoquinonemonoimine). An experimental and DFT analysis","Dalton Transactions","2011","40","33","8377","","10.1039/c1dt10609k","","","0.71073","MoKα","","0.0586","0.0468","","","0.1118","0.1155","","","","","","1.004","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016479","24.2408","0.0003","11.4673","0.0001","20.0408","0.0002","90","","92.359","0.001","90","","5566.15","0.1","150","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 Cl2 N4 O14 Ru -","- C54 H66 Cl2 N4 O14 Ru -","- C216 H264 Cl8 N16 O56 Ru4 -","4","1","","Das, Dipanwita; Mondal, Tapan Kumar; Chowdhury, Abhishek Dutta; Weisser, Fritz; Schweinfurth, David; Sarkar, Biprajit; Mobin, Shaikh M.; Urbanos, Francisco A.; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar","Valence and spin situations in isomeric [(bpy)Ru(Q′)2]n (Q′ = 3,5-di-tert-butyl-N-aryl-1,2-benzoquinonemonoimine). An experimental and DFT analysis","Dalton Transactions","2011","40","33","8377","","10.1039/c1dt10609k","","","0.71073","MoKα","","0.0602","0.0399","","","0.093","0.0972","","","","","","0.917","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016480","9.5348","0.0005","13.7828","0.0006","12.7311","0.0006","90","","101.378","0.001","90","","1640.19","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Mn3 N12 O12 -","- C30 H18 Mn3 N12 O12 -","- C60 H36 Mn6 N24 O24 -","2","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Li, Ya-Ling; Wang, Jing-Yi; Zhao, Xiao-Jun","A Kagomé layer-based 3D Mn(II) framework showing coexistence of spin-canting, spin-frustration, field-induced metamagnetic and spin-flop transitions.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8513","8516","10.1039/c1dt10633c","","","0.71073","MoKα","","0.0285","0.0241","","","0.0611","0.0636","","","","","","1.076","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016481","12.795","0.002","14.002","0.002","14.667","0.003","114.857","0.009","94.249","0.01","95.843","0.01","2351.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H51 N5 O5 P2 Pt -","- C52 H51 N5 O5 P2 Pt -","- C104 H102 N10 O10 P4 Pt2 -","2","1","","Montagner, Diego; Zangrando, Ennio; Borsato, Giuseppe; Lucchini, Vittorio; Longato, Bruno","Metal-promoted synthesis of amidines containing the model nucleobases 1-methylcytosine and 9-methyladenine.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8664","8674","10.1039/c1dt10638d","","","0.71073","MoKα","","0.0536","0.04","","","0.0943","0.0987","","","","","","0.949","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016482","10.426","0.002","9.226","0.002","14.336","0.003","90","","94.01","0.02","90","","1375.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","","Montagner, Diego; Zangrando, Ennio; Borsato, Giuseppe; Lucchini, Vittorio; Longato, Bruno","Metal-promoted synthesis of amidines containing the model nucleobases 1-methylcytosine and 9-methyladenine.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8664","8674","10.1039/c1dt10638d","","","0.71073","MoKα","","0.0764","0.0621","","","0.192","0.2058","","","","","","1.085","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016483","7.374","0.002","11.022","0.003","13.99","0.003","90","","100.4","0.02","90","","1118.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","1","","Montagner, Diego; Zangrando, Ennio; Borsato, Giuseppe; Lucchini, Vittorio; Longato, Bruno","Metal-promoted synthesis of amidines containing the model nucleobases 1-methylcytosine and 9-methyladenine.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8664","8674","10.1039/c1dt10638d","","","0.71073","MoKα","","0.1297","0.0521","","","0.1156","0.1492","","","","","","0.866","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016484","10.681","0.002","10.645","0.003","12.011","0.003","110.88","0.02","91.87","0.02","95.54","0.02","1266.7","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H12 N6 -","- C13 H12 N6 -","- C52 H48 N24 -","4","2","","Montagner, Diego; Zangrando, Ennio; Borsato, Giuseppe; Lucchini, Vittorio; Longato, Bruno","Metal-promoted synthesis of amidines containing the model nucleobases 1-methylcytosine and 9-methyladenine.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8664","8674","10.1039/c1dt10638d","","","1.5418","CuKα","","0.0796","0.0507","","","0.1238","0.1385","","","","","","0.961","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016485","22.851","0.0003","8.5199","0.0001","5.1848","0.0001","90","","99.495","0.001","90","","995.59","0.03","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H10 O4 P Pb0.5 -","- C9 H10 O4 P Pb0.5 -","- C36 H40 O16 P4 Pb2 -","4","1","","Sun, Yu-Hui; Xu, Xiang; Du, Zi-Yi; Dong, Li-Jie; Zhao, Cui-Cui; Xie, Yong-Rong","Novel second-harmonic-generation-active lead(ii) phosphinate based on 2-carboxyethyl(phenyl)phosphinate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9295","9298","10.1039/c1dt10643k","","","0.71073","MoKα","","0.028","0.028","","","0.0706","0.0706","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016486","22.8521","0.0003","8.5194","0.0001","5.1872","0.0001","90","","99.483","0.001","90","","996.08","0.03","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H10 O4 P Pb0.5 -","- C9 H10 O4 P Pb0.5 -","- C36 H40 O16 P4 Pb2 -","4","1","","Sun, Yu-Hui; Xu, Xiang; Du, Zi-Yi; Dong, Li-Jie; Zhao, Cui-Cui; Xie, Yong-Rong","Novel second-harmonic-generation-active lead(ii) phosphinate based on 2-carboxyethyl(phenyl)phosphinate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9295","9298","10.1039/c1dt10643k","","","0.71073","MoKα","","0.0163","0.0163","","","0.0384","0.0384","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016487","27.544","0.006","12.641","0.003","16.371","0.003","90","","118.85","0.03","90","","4993","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 P4 Se6 Tl2 -","- C50 H40 P4 Se6 Tl2 -","- C200 H160 P16 Se24 Tl8 -","4","0.5","","Risto, Maarit; Chivers, Tristram; Konu, Jari","Homoleptic, heteroleptic and mixed-valent thallium and indium complexes of multidentate chalcogen-centred PCP-bridged ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8238","8246","10.1039/c1dt10646e","","","0.71073","MoKα","","0.066","0.0502","","","0.1357","0.1672","","","","","","1.13","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016488","15.101","0.003","18.743","0.004","22.487","0.005","90","","105.79","0.03","90","","6125","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C107 H94 Cl14 P8 S8 Se4 Tl4 -","- C107 H94 Cl14 P8 S8 Se4 Tl4 -","- C214 H188 Cl28 P16 S16 Se8 Tl8 -","2","0.5","","Risto, Maarit; Chivers, Tristram; Konu, Jari","Homoleptic, heteroleptic and mixed-valent thallium and indium complexes of multidentate chalcogen-centred PCP-bridged ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8238","8246","10.1039/c1dt10646e","","","0.71073","MoKα","","0.0924","0.0625","","","0.1147","0.128","","","","","","1.096","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016489","17.311","0.004","16.969","0.003","11.992","0.002","90","","107.99","0.03","90","","3350.4","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl In N2 P2 Se3 -","- C31 H36 Cl In N2 P2 Se3 -","- C124 H144 Cl4 In4 N8 P8 Se12 -","4","1","","Risto, Maarit; Chivers, Tristram; Konu, Jari","Homoleptic, heteroleptic and mixed-valent thallium and indium complexes of multidentate chalcogen-centred PCP-bridged ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8238","8246","10.1039/c1dt10646e","","","0.71073","MoKα","","0.0661","0.0526","","","0.1099","0.1164","","","","","","1.119","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016490","17.38","0.004","16.863","0.003","11.805","0.002","90","","108.59","0.03","90","","3279.3","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl In N2 P2 S3 -","- C31 H36 Cl In N2 P2 S3 -","- C124 H144 Cl4 In4 N8 P8 S12 -","4","1","","Risto, Maarit; Chivers, Tristram; Konu, Jari","Homoleptic, heteroleptic and mixed-valent thallium and indium complexes of multidentate chalcogen-centred PCP-bridged ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8238","8246","10.1039/c1dt10646e","","","0.71073","MoKα","","0.0915","0.0663","","","0.1189","0.1344","","","","","","1.132","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016491","17.18","0.003","16.748","0.003","12.007","0.002","90","","108.28","0.03","90","","3280.4","1.1","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl In N2 P2 S2 Se -","- C31 H36 Cl In N2 P2 S2 Se -","- C124 H144 Cl4 In4 N8 P8 S8 Se4 -","4","1","","Risto, Maarit; Chivers, Tristram; Konu, Jari","Homoleptic, heteroleptic and mixed-valent thallium and indium complexes of multidentate chalcogen-centred PCP-bridged ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8238","8246","10.1039/c1dt10646e","","","0.71073","MoKα","","0.0847","0.0756","","","0.1628","0.1667","","","","","","1.341","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016492","9.6213","0.001","14.2475","0.0014","14.9739","0.0015","90","","92.197","0.002","90","","2051.1","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H Cs Fe4 O13 -","- C13 H Cs Fe4 O13 -","- C52 H4 Cs4 Fe16 O52 -","4","1","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.1058","0.0889","","","0.1701","0.1779","","","","","","1.178","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016493","12.4712","0.0003","12.4712","0.0003","12.4712","0.0003","90","","90","","90","","1939.66","0.08","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C14 H3 Fe4 K O12 -","- C14 H2.97 Fe4 K O12 -","- C56 H11.88 Fe16 K4 O48 -","4","0.333333","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.0366","0.027","","","0.0474","0.0504","","","","","","1.053","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016494","13.239","0.002","18.865","0.003","22.988","0.004","90","","103.112","0.003","90","","5591.7","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H31 Cl Fe9 N4 O30 -","- C38.5 H31 Cl Fe9 N4 O30 -","- C154 H124 Cl4 Fe36 N16 O120 -","4","1","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.1324","0.0645","","","0.1423","0.1791","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016495","9.416","0.006","13.905","0.009","14.604","0.01","90","","91.187","0.009","90","","1912","2","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H Fe4 K O13 -","- C13 H Fe4 K O13 -","- C52 H4 Fe16 K4 O52 -","4","1","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.0261","0.0241","","","0.0456","0.0466","","","","","","1.019","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016496","9.3586","0.0006","16.2318","0.001","17.9126","0.001","90","","104.402","0.001","90","","2635.5","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 Cs2 Fe4 O14 -","- C17 H8 Cs2 Fe4 O14 -","- C68 H32 Cs8 Fe16 O56 -","4","1","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.1078","0.0441","","","0.0691","0.0864","","","","","","0.991","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016497","11.526","0.003","11.964","0.003","29.604","0.007","100.303","0.003","90.266","0.004","115.753","0.003","3601.9","1.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 Fe4 N2 O12 -","- C28 H42 Fe4 N2 O12 -","- C112 H168 Fe16 N8 O48 -","4","2","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.1429","0.077","","","0.2078","0.258","","","","","","1.023","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016498","17.6836","0.0014","17.4956","0.0014","14.9768","0.0012","90","","91.788","0.001","90","","4631.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C38 H61 Fe5 N3 O14 -","- C38.478 H61 Fe5 N3 O14 -","- C153.912 H244 Fe20 N12 O56 -","4","0.5","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.0487","0.0373","","","0.1015","0.1131","","","","","","1.041","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016499","11.8829","0.0008","9.0508","0.0006","15.2353","0.0011","90","","95.412","0.001","90","","1631.25","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H Fe3 K O11 -","- C11 H Fe3 K O11 -","- C44 H4 Fe12 K4 O44 -","4","1","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.0674","0.0363","","","0.0638","0.0728","","","","","","1.01","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016500","13.8959","0.0007","14.7885","0.0008","16.2868","0.0009","90","","98.238","0.001","90","","3312.4","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H Fe3 K O11 -","- C11 H Fe3 K O11 -","- C88 H8 Fe24 K8 O88 -","8","1","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.0465","0.0297","","","0.0591","0.0659","","","","","","1.025","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016501","25.3556","0.0015","12.8097","0.0007","24.642","0.002","90","","118.556","0.001","90","","7030","0.8","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 Gd4 N14 O26 -","- C54 H62 Gd4 N14 O26 -","- C216 H248 Gd16 N56 O104 -","4","0.5","","Xue, Shufang; Zhao, Lang; Guo, Yun-Nan; Deng, Ruiping; Guo, Yang; Tang, Jinkui","A series of tetranuclear lanthanide complexes comprising two edge-sharing triangular units with field-induced slow magnetic relaxation for Dy(4) species.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8347","8352","10.1039/c1dt10654f","","","0.71073","MoKα","","0.0909","0.0469","","","0.0939","0.112","","","","","","1.003","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016502","25.3314","0.0016","12.7798","0.0008","24.637","0.0015","90","","118.617","0.001","90","","7001.4","0.8","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 N14 O26 Tb4 -","- C54 H62 N14 O26 Tb4 -","- C216 H248 N56 O104 Tb16 -","4","0.5","","Xue, Shufang; Zhao, Lang; Guo, Yun-Nan; Deng, Ruiping; Guo, Yang; Tang, Jinkui","A series of tetranuclear lanthanide complexes comprising two edge-sharing triangular units with field-induced slow magnetic relaxation for Dy(4) species.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8347","8352","10.1039/c1dt10654f","","","0.71073","MoKα","","0.0885","0.0464","","","0.0921","0.1069","","","","","","1.011","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016503","25.2589","0.0012","12.7815","0.0006","24.5924","0.0012","90","","118.513","0.001","90","","6976.6","0.6","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H66 Dy4 N14 O26 -","- C54 H62 Dy4 N14 O26 -","- C216 H248 Dy16 N56 O104 -","4","0.5","","Xue, Shufang; Zhao, Lang; Guo, Yun-Nan; Deng, Ruiping; Guo, Yang; Tang, Jinkui","A series of tetranuclear lanthanide complexes comprising two edge-sharing triangular units with field-induced slow magnetic relaxation for Dy(4) species.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8347","8352","10.1039/c1dt10654f","","","0.71073","MoKα","","0.0569","0.0388","","","0.0922","0.1003","","","","","","1.057","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016504","25.4133","0.0017","12.6734","0.0008","24.6642","0.0016","90","","119.063","0.001","90","","6943.5","0.8","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H62 Ho4 N14 O24 -","- C54 H62 Ho4 N14 O24 -","- C216 H248 Ho16 N56 O96 -","4","0.5","","Xue, Shufang; Zhao, Lang; Guo, Yun-Nan; Deng, Ruiping; Guo, Yang; Tang, Jinkui","A series of tetranuclear lanthanide complexes comprising two edge-sharing triangular units with field-induced slow magnetic relaxation for Dy(4) species.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8347","8352","10.1039/c1dt10654f","","","0.71073","MoKα","","0.095","0.0466","","","0.0877","0.104","","","","","","0.98","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016505","11.0736","0.0008","19.9537","0.0013","22.853","0.0014","91.877","0.006","97.134","0.006","92.099","0.006","5003.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C121 H100 N16 O4 -","- C109 H72 N12 -","- C218 H144 N24 -","2","1","","Eryazici, Ibrahim; Farha, Omar K.; Compton, Owen C.; Stern, Charlotte; Hupp, Joseph T.; Nguyen, Sonbinh T.","Luminescent infinite coordination polymer materials from metal-terpyridine ligation.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9189","9193","10.1039/c1dt10671f","","","1.54178","CuKα","","0.1595","0.0736","","","0.1731","0.2047","","","","","","0.819","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016506","28.942","0.003","58.653","0.005","21.5267","0.0019","90","","90","","90","","36542","6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H23 N5 O6 Zn -","- C18 H14 N4 O4 Zn -","- C1152 H896 N256 O256 Zn64 -","64","4","","Liu, Xiao-Min; Xie, Lin-Hua; Lin, Jian-Bin; Lin, Rui-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Flexible porous coordination polymers constructed from 1,2-bis(4-pyridyl)hydrazine via solvothermal in situ reduction of 4,4'-azopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8549","8554","10.1039/c1dt10682a","","","0.71073","MoKα","","0.1036","0.0664","","","0.1687","0.1868","","","","","","1","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016507","29.5","0.02","14.724","0.013","10.274","0.009","90","","90","","90","","4463","6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H22 N4 O6 Zn -","- C18 H14 N4 O4 Zn -","- C144 H112 N32 O32 Zn8 -","8","1","","Liu, Xiao-Min; Xie, Lin-Hua; Lin, Jian-Bin; Lin, Rui-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Flexible porous coordination polymers constructed from 1,2-bis(4-pyridyl)hydrazine via solvothermal in situ reduction of 4,4'-azopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8549","8554","10.1039/c1dt10682a","","","0.71073","MoKα","","0.1532","0.06","","","0.1476","0.1677","","","","","","1.005","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016508","10.877","0.007","17.619","0.012","20.499","0.014","110.788","0.012","93.326","0.013","90.408","0.012","3665","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N4 O10.5 Zn2 -","- C26 H18 N4 O8 Zn2 -","- C104 H72 N16 O32 Zn8 -","4","2","","Liu, Xiao-Min; Xie, Lin-Hua; Lin, Jian-Bin; Lin, Rui-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Flexible porous coordination polymers constructed from 1,2-bis(4-pyridyl)hydrazine via solvothermal in situ reduction of 4,4'-azopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8549","8554","10.1039/c1dt10682a","","","0.71073","MoKα","","0.0969","0.0544","","","0.1346","0.1469","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016509","10.9028","0.0013","10.9453","0.0013","15.8533","0.0018","88.159","0.002","80.542","0.002","85.314","0.002","1859.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N5 O10.5 Zn2 -","- C26 H18 N4 O8 Zn2 -","- C52 H36 N8 O16 Zn4 -","2","1","","Liu, Xiao-Min; Xie, Lin-Hua; Lin, Jian-Bin; Lin, Rui-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Flexible porous coordination polymers constructed from 1,2-bis(4-pyridyl)hydrazine via solvothermal in situ reduction of 4,4'-azopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8549","8554","10.1039/c1dt10682a","","","0.71073","MoKα","","0.0574","0.0412","","","0.1038","0.1105","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016510","9.038","0.002","9.038","0.002","18.975","0.01","90","","90","","120","","1342.3","0.8","173","2","173","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C10 H6.5 In O9.75 -","- C10 H5.52 In O9.76 -","- C30 H16.56 In3 O29.28 -","3","0.25","","Han, Zheng-Bo; Li, Bi-Ye; Ji, Jian-Wei; Du, Yi-En; An, Hai-Yan; Zeng, Ming-Hua","A 3D chiral porous In(iii) coordination polymer with PtS topological net.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9154","9158","10.1039/c1dt10683j","","","0.71073","MoKα","","0.0818","0.0631","","","0.2116","0.2265","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016511","13.346","0.003","15.398","0.003","16.355","0.003","92.1","0.03","100.34","0.03","104.51","0.03","3189.2","1.3","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C108 H128 Cl8 Cu4 Mo4 N6 O16 P4 S8 -","- C108 H128 Cl8 Cu4 Mo4 N6 O16 P4 S8 -","- C108 H128 Cl8 Cu4 Mo4 N6 O16 P4 S8 -","1","0.5","","Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of bicyclic or monocyclic clusters from [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)(CuMeCN)(2)](2+) with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8391","8398","10.1039/c1dt10685f","","","0.71073","MoKα","","0.0621","0.0532","","","0.1494","0.1583","","","","","","1.012","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016512","36.18","0.007","17.208","0.003","23.247","0.005","90","","121.71","0.03","90","","12313","6","223","2","223","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C100 H122 Cl8 Cu4 Mo4 N4 O16 P4 S8 -","- C100 H122 Cl8 Cu4 Mo4 N4 O16 P4 S8 -","- C400 H488 Cl32 Cu16 Mo16 N16 O64 P16 S32 -","4","0.5","","Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of bicyclic or monocyclic clusters from [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)(CuMeCN)(2)](2+) with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8391","8398","10.1039/c1dt10685f","","","0.71073","MoKα","","0.096","0.0818","","","0.2309","0.2446","","","","","","1.192","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016513","11.882","0.002","25.205","0.005","20.961","0.004","90","","99.5","0.03","90","","6191","2","123","2","123","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C108.5 H126 Cl5 Cu4 Mo4 N7 O16 P4 S8 -","- C108.5 H126 Cl5 Cu4 Mo4 N7 O16 P4 S8 -","- C217 H252 Cl10 Cu8 Mo8 N14 O32 P8 S16 -","2","1","","Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of bicyclic or monocyclic clusters from [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)(CuMeCN)(2)](2+) with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8391","8398","10.1039/c1dt10685f","","","0.71073","MoKα","","0.1211","0.0954","","","0.1861","0.2091","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016514","12.49","0.003","13.234","0.003","18.823","0.004","75.91","0.03","73.76","0.03","71.05","0.03","2785.1","1.3","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H98 Cl4 Cu4 F24 Mo4 N4 P6 S8 -","- C78 H98 Cl4 Cu4 F24 Mo4 N4 P6 S8 -","- C78 H98 Cl4 Cu4 F24 Mo4 N4 P6 S8 -","1","0.5","","Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of bicyclic or monocyclic clusters from [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)(CuMeCN)(2)](2+) with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8391","8398","10.1039/c1dt10685f","","","0.71073","MoKα","","0.0869","0.0687","","","0.1896","0.2073","","","","","","1.054","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016515","13.5494","0.0002","14.305","0.0002","15.193","0.0002","109.133","0.0008","90.8079","0.0008","110.377","0.0007","2580.54","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H132 Ag6 N12 O12 P6 S12 -","- C60 H132 Ag6 N12 O12 P6 S12 -","- C60 H132 Ag6 N12 O12 P6 S12 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann","Mechanochromism of Ag(i) complexes with iPrNHC(S)NHP(S)(OiPr)(2).","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8523","8526","10.1039/c1dt10688k","","","0.71073","MoKα","","0.0641","0.0375","","","0.0775","0.0869","","","","","","1.012","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016516","10.9417","0.0012","16.6877","0.0018","17.8037","0.0019","93.865","0.007","106.518","0.007","103.888","0.007","2993.2","0.6","143","2","143","2","","","","","","","","5","P -1","-P 1","2","META-(Mg3(iPrN-BH-N(iPr)-BH3)2","","","- C55 H95 B4 Mg3 N8 -","- C52 H88 B4 Mg3 N8 -","- C104 H176 B8 Mg6 N16 -","2","1","","Spielmann, Jan; Harder, Sjoerd","Binuclear magnesium amidoborane complexes: characterization of a trinuclear thermal decomposition product.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8314","8319","10.1039/c1dt10694e","","","0.71073","MoKα","","0.1318","0.0778","","","0.1899","0.2166","","","","","","0.947","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016517","19.0122","0.0013","22.8562","0.0015","20.8328","0.0014","90","","110.058","0.002","90","","8503.7","1","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(META-Mg)2","","","- C98 H122 Mg2 N8 -","- C92 H116 Mg2 N8 -","- C368 H464 Mg8 N32 -","4","1","","Spielmann, Jan; Harder, Sjoerd","Binuclear magnesium amidoborane complexes: characterization of a trinuclear thermal decomposition product.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8314","8319","10.1039/c1dt10694e","","","0.71073","MoKα","","0.0935","0.0476","","","0.1136","0.1288","","","","","","0.959","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016518","9.5303","0.0008","15.112","0.0011","15.8877","0.0013","83.671","0.006","77.538","0.007","81.979","0.006","2204.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H28 Co F12 N4 O5 S6 -","- C39 H28 Co F12 N4 O5 S6 -","- C78 H56 Co2 F24 N8 O10 S12 -","2","1","","Ran, Ying-Fen; Liu, Shi-Xia; Sereda, Olha; Neels, Antonia; Decurtins, Silvio","Exploratory studies on coordination chemistry of a redox-active bridging ligand: synthesis, properties and solid state structures of the complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8193","8198","10.1039/c1dt10713e","","","0.71073","MoKα","","0.0865","0.0641","","","0.1792","0.1881","","","","","","1.063","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016519","16.3332","0.0014","17.221","0.0017","25.434","0.002","70.737","0.007","78.157","0.007","70.913","0.007","6344","1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C52.5 H34 Cl1.5 Co F24 N4.5 Ni O9 S6 -","- C52 H33.5 Co F24 N4.5 Ni O9 S6 -","- C208 H134 Co4 F96 N18 Ni4 O36 S24 -","4","2","","Ran, Ying-Fen; Liu, Shi-Xia; Sereda, Olha; Neels, Antonia; Decurtins, Silvio","Exploratory studies on coordination chemistry of a redox-active bridging ligand: synthesis, properties and solid state structures of the complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8193","8198","10.1039/c1dt10713e","","","0.71073","MoKα","","0.1685","0.0731","","","0.1628","0.1852","","","","","","0.831","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016520","9.4996","0.001","9.8334","0.001","16.7952","0.0019","78.014","0.009","75.026","0.009","89.23","0.009","1481.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Cl2 N4 S6 -","- C29 H24 Cl2 N4 S6 -","- C58 H48 Cl4 N8 S12 -","2","1","","Ran, Ying-Fen; Liu, Shi-Xia; Sereda, Olha; Neels, Antonia; Decurtins, Silvio","Exploratory studies on coordination chemistry of a redox-active bridging ligand: synthesis, properties and solid state structures of the complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8193","8198","10.1039/c1dt10713e","","","0.71073","MoKα","","0.0795","0.0388","","","0.0852","0.0926","","","","","","0.798","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016521","7.6941","0.0001","26.6993","0.0005","16.908","0.0003","90","0.001","97.756","0.001","90","","3441.59","0.1","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cu N4 O4 -","- C40 H36 Cu N4 O4 -","- C160 H144 Cu4 N16 O16 -","4","1","","Dimiza, Filitsa; Fountoulaki, Stella; Papadopoulos, Athanasios N.; Kontogiorgis, Christos A.; Tangoulis, Vassilis; Raptopoulou, Catherine P.; Psycharis, Vassilis; Terzis, Aris; Kessissoglou, Dimitris P.; Psomas, George","Non-steroidal antiinflammatory drug-copper(ii) complexes: Structure and biological perspectives.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8555","8568","10.1039/c1dt10714c","","","1.54178","CuKα","","0.0469","0.0402","","","0.1076","0.1117","","","","","","1.075","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016522","11.1512","0.0002","14.0929","0.0002","23.7121","0.0004","90","","101.795","0.001","90","","3647.74","0.1","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Cu N5 O5 -","- C41 H41 Cu N5 O5 -","- C164 H164 Cu4 N20 O20 -","4","1","","Dimiza, Filitsa; Fountoulaki, Stella; Papadopoulos, Athanasios N.; Kontogiorgis, Christos A.; Tangoulis, Vassilis; Raptopoulou, Catherine P.; Psycharis, Vassilis; Terzis, Aris; Kessissoglou, Dimitris P.; Psomas, George","Non-steroidal antiinflammatory drug-copper(ii) complexes: Structure and biological perspectives.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8555","8568","10.1039/c1dt10714c","","","1.54178","CuKα","","0.0359","0.034","","","0.091","0.0925","","","","","","1.048","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016523","9.2805","0.0019","10.964","0.002","15.89","0.003","87.32","0.03","85.69","0.03","78.66","0.03","1579.9","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","sodium ditetrahydrofurane tetrakis(hexafluoroisoproxy)borate","sodium ditetrahydrofurane tetrakis(hexafluoroisoproxy)borate","","- C20 H20 B F24 Na O6 -","- C20 H20 B F24 Na O6 -","- C40 H40 B2 F48 Na2 O12 -","2","1","","Bulut, Safak; Klose, Petra; Krossing, Ingo","Na[B(hfip)(4)] (hfip = OC(H)(CF(3))(2)): a weakly coordinating anion salt and its first application to prepare ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8114","8124","10.1039/c1dt10722d","","x-ray","0.71073","MoKα","","0.0616","0.0417","","","0.0952","0.1051","","","","","","1.069","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016524","10.491","0.002","10.546","0.002","13.212","0.003","77.05","0.03","80.4","0.03","81.33","0.03","1394.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","sodium monodimethoxyethane tetrakis(hexafluoroisoproxy)borate","sodium monodimethoxyethane tetrakis(hexafluoroisoproxy)borate","","- C16 H14 B F24 Na O6 -","- C16 H14 B F24 Na O6 -","- C32 H28 B2 F48 Na2 O12 -","2","1","","Bulut, Safak; Klose, Petra; Krossing, Ingo","Na[B(hfip)(4)] (hfip = OC(H)(CF(3))(2)): a weakly coordinating anion salt and its first application to prepare ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8114","8124","10.1039/c1dt10722d","","x-ray","0.71073","MoKα","","0.042","0.0323","","","0.0714","0.0792","","","","","","1.085","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016525","24.5685","0.0018","16.6655","0.0013","19.9516","0.0015","90","","91.224","0.001","90","","8167.2","1.1","191","2","191","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H81 Cl3 Dy2 N12 O27 -","- C75 H81 Cl3 Dy2 N12 O27 -","- C300 H324 Cl12 Dy8 N48 O108 -","4","1","","Lin, Shuang-Yan; Xu, Gong-Feng; Zhao, Lang; Guo, Yun-Nan; Guo, Yang; Tang, Jinkui","Observation of slow magnetic relaxation in triple-stranded lanthanide helicates.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8213","8217","10.1039/c1dt10729a","","","0.71073","MoKα","","0.0573","0.0379","","","0.0936","0.1017","","","","","","1.076","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016526","24.6371","0.0009","16.7291","0.0006","19.9998","0.0007","90","","91.2","0.001","90","","8241.2","0.5","191","2","191","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H81 Cl3 N12 O27 Tb2 -","- C75 H81 Cl3 N12 O27 Tb2 -","- C300 H324 Cl12 N48 O108 Tb8 -","4","1","","Lin, Shuang-Yan; Xu, Gong-Feng; Zhao, Lang; Guo, Yun-Nan; Guo, Yang; Tang, Jinkui","Observation of slow magnetic relaxation in triple-stranded lanthanide helicates.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8213","8217","10.1039/c1dt10729a","","","0.71073","MoKα","","0.0419","0.0305","","","0.0733","0.0814","","","","","","1.019","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016527","8.7522","0.0018","8.7522","0.0018","13.971","0.009","90","","90","","90","","1070.2","0.8","93","2","93","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ba5 Ga4 Se10 -","- Ba5 Ga4 Se10 -","- Ba10 Ga8 Se20 -","2","0.0625","","Yin, Wenlong; Mei, Dajiang; Feng, Kai; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","Ba(5)Ga(4)Se(10): a new selenidogallate containing the novel [Ga(4)Se(10)](10-) anionic cluster with Ga in a mixed-valence state.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9159","9162","10.1039/c1dt10748h","","","0.71073","MoKα","","0.038","0.0347","","","0.0633","0.0641","","","","","","1.38","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016528","19.953","0.005","13.943","0.005","27.347","0.005","90","0.005","106.629","0.005","90","0.005","7290","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 Cd I2 N4 S -","- C37 H28 Cd I2 N4 S -","- C296 H224 Cd8 I16 N32 S8 -","8","1","","Li, Dongmei; Zhang, Qiong; Wang, Peng; Wu, Jieying; Kan, Yuhe; Tian, Yupeng; Zhou, Hongping; Yang, Jiaxiang; Tao, Xutang; Jiang, Minhua","Studies of the isomerization and photophysical properties of a novel 2,2':6',2''-terpyridine-based ligand and its complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8170","8178","10.1039/c1dt10752f","","","0.71069","MoKα","","0.1858","0.0878","","","0.223","0.2682","","","","","","1.025","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7016529","14.071","0.004","14.174","0.004","19.754","0.005","97.391","0.004","103.966","0.004","113.288","0.003","3399.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H124 Cd2 Cl4 N16 O22 S4 -","- C148 H124 Cd2 Cl4 N16 O22 S4 -","- C148 H124 Cd2 Cl4 N16 O22 S4 -","1","0.5","","Li, Dongmei; Zhang, Qiong; Wang, Peng; Wu, Jieying; Kan, Yuhe; Tian, Yupeng; Zhou, Hongping; Yang, Jiaxiang; Tao, Xutang; Jiang, Minhua","Studies of the isomerization and photophysical properties of a novel 2,2':6',2''-terpyridine-based ligand and its complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8170","8178","10.1039/c1dt10752f","","","0.71073","MoKα","","0.1809","0.0807","","","0.1936","0.2603","","","","","","0.998","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016530","13.8465","0.0004","14.0872","0.0004","20.0791","0.0009","105.473","0.003","98.16","0.003","112.461","0.002","3355","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H58 Cl4 Cu N8 O8 S2 -","- C75 H58 Cl4 Cu N8 O8 S2 -","- C150 H116 Cl8 Cu2 N16 O16 S4 -","2","1","","Li, Dongmei; Zhang, Qiong; Wang, Peng; Wu, Jieying; Kan, Yuhe; Tian, Yupeng; Zhou, Hongping; Yang, Jiaxiang; Tao, Xutang; Jiang, Minhua","Studies of the isomerization and photophysical properties of a novel 2,2':6',2''-terpyridine-based ligand and its complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8170","8178","10.1039/c1dt10752f","","","0.71073","MoKα","","0.146","0.0716","","","0.1896","0.2305","","","","","","1.05","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016531","11.0672","0.0007","15.9039","0.0009","19.6022","0.0012","105.422","0.004","100.55","0.004","94.827","0.004","3237.5","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H58 Cl2 Co N8 O8 S2 -","- C74 H58 Cl2 Co N8 O8 S2 -","- C148 H116 Cl4 Co2 N16 O16 S4 -","2","1","","Li, Dongmei; Zhang, Qiong; Wang, Peng; Wu, Jieying; Kan, Yuhe; Tian, Yupeng; Zhou, Hongping; Yang, Jiaxiang; Tao, Xutang; Jiang, Minhua","Studies of the isomerization and photophysical properties of a novel 2,2':6',2''-terpyridine-based ligand and its complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8170","8178","10.1039/c1dt10752f","","","0.71073","MoKα","","0.199","0.0801","","","0.1881","0.2446","","","","","","1.016","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016532","13.9221","0.0003","14.1176","0.0003","20.014","0.0004","105.322","0.001","97.932","0.001","112.516","0.001","3376.01","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H58 Cl4 N8 O8 S2 Zn -","- C75 H58 Cl4 N8 O8 S2 Zn -","- C150 H116 Cl8 N16 O16 S4 Zn2 -","2","1","","Li, Dongmei; Zhang, Qiong; Wang, Peng; Wu, Jieying; Kan, Yuhe; Tian, Yupeng; Zhou, Hongping; Yang, Jiaxiang; Tao, Xutang; Jiang, Minhua","Studies of the isomerization and photophysical properties of a novel 2,2':6',2''-terpyridine-based ligand and its complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8170","8178","10.1039/c1dt10752f","","","0.71073","MoKα","","0.1132","0.0667","","","0.1865","0.2181","","","","","","1.046","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016533","14.061","0.0003","14.1018","0.0003","19.9266","0.0007","104.86","0.002","97.678","0.002","112.804","0.001","3397.99","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H58 Cl4 Mn N8 O8 S2 -","- C75 H58 Cl4 Mn N8 O8 S2 -","- C150 H116 Cl8 Mn2 N16 O16 S4 -","2","1","","Li, Dongmei; Zhang, Qiong; Wang, Peng; Wu, Jieying; Kan, Yuhe; Tian, Yupeng; Zhou, Hongping; Yang, Jiaxiang; Tao, Xutang; Jiang, Minhua","Studies of the isomerization and photophysical properties of a novel 2,2':6',2''-terpyridine-based ligand and its complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8170","8178","10.1039/c1dt10752f","","","0.71073","MoKα","","0.1065","0.0723","","","0.2106","0.2412","","","","","","1.06","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7016534","8.4963","0.0009","9.0426","0.001","26.44","0.003","90","","90.769","0.007","90","","2031.2","0.4","296","2","296","2","","","","","","","Synthesised","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 Cu N4 O8 -","- C15 H17 Cl2 Cu N4 O8 -","- C60 H68 Cl8 Cu4 N16 O32 -","4","1","","Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab","Reduction of copper(ii) complexes of tridentate ligands by nitric oxide and fluorescent detection of NO in methanol and water media.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8656","8663","10.1039/c1dt10773a","","x-ray","0.71073","MoKα","","0.1045","0.0847","","","0.2306","0.2465","","","","","","1.056","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016535","8.3087","0.0002","10.3152","0.0003","11.6673","0.0003","85.849","0.001","83.595","0.001","85.169","0.001","988.18","0.05","293","2","293","2","","","","","","","Synthesised","6","P -1","-P 1","2","","","","- C12 H15 Cl2 Cu N4 O10 -","- C12 H15 Cl2 Cu N4 O10 -","- C24 H30 Cl4 Cu2 N8 O20 -","2","1","","Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab","Reduction of copper(ii) complexes of tridentate ligands by nitric oxide and fluorescent detection of NO in methanol and water media.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8656","8663","10.1039/c1dt10773a","","x-ray","0.71073","MoKα","","0.0623","0.0486","","","0.1474","0.1549","","","","","","1.277","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016536","12.0178","0.0017","12.8451","0.0018","14.644","0.002","95.655","0.002","108.956","0.002","116.063","0.002","1841.5","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H44 Cu6 N12 O56 Si W12 -","- C24 H16 Cu6 N12 O56 Si W12 -","- C24 H16 Cu6 N12 O56 Si W12 -","1","0.5","","Wang, Xiuli; Wang, Yufei; Liu, Guocheng; Tian, Aixiang; Zhang, Juwen; Lin, Hongyan","Novel inorganic-organic hybrids constructed from multinuclear copper cluster and Keggin polyanions: from 1D wave-like chain to 2D network.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9299","9305","10.1039/c1dt10776c","","","0.71073","MoKα","","0.0987","0.0842","","","0.2201","0.2292","","","","","","1.06","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016537","24.898","0.009","12.486","0.005","34.978","0.005","90","","105.103","0.01","90","","10498","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cu8 Mo12 N36 O42 Si -","- C72 H56 Cu8 Mo12 N36 O42 Si -","- C288 H224 Cu32 Mo48 N144 O168 Si4 -","4","0.5","","Wang, Xiuli; Wang, Yufei; Liu, Guocheng; Tian, Aixiang; Zhang, Juwen; Lin, Hongyan","Novel inorganic-organic hybrids constructed from multinuclear copper cluster and Keggin polyanions: from 1D wave-like chain to 2D network.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9299","9305","10.1039/c1dt10776c","","","0.71069","MoKα","","0.097","0.0485","","","0.0995","0.1164","","","","","","1.002","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016538","15.4234","0.0003","17.179","0.0003","35.8699","0.0007","90","","90","","90","","9504","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H47 Au2 N3 P2 -","- C56 H47 Au2 N3 P2 -","- C448 H376 Au16 N24 P16 -","8","1","","Del Castillo, Trevor J.; Sarkar, Soumya; Abboud, Khalil A.; Veige, Adam S.","1,3-Dipolar cycloaddition between a metal-azide (Ph(3)PAuN(3)) and a metal-acetylide (Ph(3)PAuC[triple bond, length as m-dash]CPh): an inorganic version of a click reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8140","8144","10.1039/c1dt10787a","","","0.71073","MoKα","","0.057","0.0333","","","0.06","0.064","","","","","","0.932","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016539","16.312","0.004","12.288","0.004","29.792","0.006","90","","120.392","0.01","90","","5151","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Cl6 Cr2 N2 O2 -","- C50 H60 Cl6 Cr2 N2 O2 -","- C200 H240 Cl24 Cr8 N8 O8 -","4","1","","Xu, Tieqi; Pan, Yu; Lu, Xiao-Bing","Binuclear half-metallocene chromium(iii) complexes mediated ethylene polymerization with alkylaluminium as cocatalyst.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8643","8650","10.1039/c1dt10803d","","","0.71073","MoKα","","0.2003","0.0715","","","0.148","0.1936","","","","","","0.995","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016540","18.076","0.005","18.047","0.005","23.103","0.004","90","","125.714","0.014","90","","6119","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 Cl2 Cr2 N2 O2 -","- C66 H76 Cl2 Cr2 N2 O2 -","- C264 H304 Cl8 Cr8 N8 O8 -","4","1","","Xu, Tieqi; Pan, Yu; Lu, Xiao-Bing","Binuclear half-metallocene chromium(iii) complexes mediated ethylene polymerization with alkylaluminium as cocatalyst.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8643","8650","10.1039/c1dt10803d","","","0.71073","MoKα","","0.2369","0.094","","","0.1695","0.2245","","","","","","1.024","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016541","8.6023","0.0007","12.9253","0.0011","16.4342","0.0014","69.844","0.001","83.356","0.002","79.47","0.002","1683.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H41 Cl Cr N O2 -","- C41 H41 Cl Cr N O2 -","- C82 H82 Cl2 Cr2 N2 O4 -","2","1","","Xu, Tieqi; Pan, Yu; Lu, Xiao-Bing","Binuclear half-metallocene chromium(iii) complexes mediated ethylene polymerization with alkylaluminium as cocatalyst.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8643","8650","10.1039/c1dt10803d","","","0.71073","MoKα","","0.084","0.0513","","","0.1202","0.1355","","","","","","1.021","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016542","11.6666","0.0016","20.495","0.003","17.05","0.002","90","","92.581","0.002","90","","4072.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H53 Cl Cr N O2 -","- C47 H53 Cl Cr N O2 -","- C188 H212 Cl4 Cr4 N4 O8 -","4","1","","Xu, Tieqi; Pan, Yu; Lu, Xiao-Bing","Binuclear half-metallocene chromium(iii) complexes mediated ethylene polymerization with alkylaluminium as cocatalyst.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8643","8650","10.1039/c1dt10803d","","","0.71073","MoKα","","0.1369","0.0731","","","0.1623","0.1916","","","","","","1.056","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016543","15.7707","0.0006","16.3646","0.0005","18.2805","0.0006","83.202","0.002","66.012","0.001","73.704","0.002","4137.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 O6 -","- C33 H30 O5.95667 -","- C198 H180 O35.74 -","6","3","","Samy, N. Arockia; Alexander, V.","New star-shaped trinuclear Ru(ii) polypyridine complexes of imidazo[4,5-f][1,10]phenanthroline derivatives: syntheses, characterization, photophysical and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8630","8642","10.1039/c1dt10811e","","","0.71073","MoKα","","0.1","0.058","","","0.1698","0.2133","","","","","","1.022","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016544","9.454","0.002","9.478","0.004","9.573","0.002","116.53","0.02","109.705","0.014","101.293","0.018","658.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H15 Br3 -","- C12 H15 Br3 -","- C24 H30 Br6 -","2","1","","Samy, N. Arockia; Alexander, V.","New star-shaped trinuclear Ru(ii) polypyridine complexes of imidazo[4,5-f][1,10]phenanthroline derivatives: syntheses, characterization, photophysical and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8630","8642","10.1039/c1dt10811e","","","0.71073","MoKα","","0.0598","0.0342","","","0.0781","0.0853","","","","","","1.045","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016545","11.612","0.002","14.046","0.002","30.941","0.005","90","","92.196","0.017","90","","5042.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl P3 Pt -","- C24 H36 Cl P3 Pt -","- C192 H288 Cl8 P24 Pt8 -","8","2","","Mazzeo, Mina; Strianese, Maria; Kühl, Olaf; Peters, Jonas C.","Phosphido pincer complexes of platinum: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9026","9033","10.1039/c1dt10825e","","","0.71073","MoKα","","0.0792","0.0551","","","0.0881","0.0925","","","","","","1.504","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016546","11.7084","0.0006","13.9668","0.0007","31.1141","0.0016","90","","91.28","0.002","90","","5086.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 P3 Pt -","- C25 H39 P3 Pt -","- C200 H312 P24 Pt8 -","8","2","","Mazzeo, Mina; Strianese, Maria; Kühl, Olaf; Peters, Jonas C.","Phosphido pincer complexes of platinum: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9026","9033","10.1039/c1dt10825e","","","0.71073","MoKα","","0.1245","0.0527","","","0.1013","0.1199","","","","","","0.872","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016547","12.6906","0.0007","12.9537","0.0007","17.4956","0.001","90","","90","","90","","2876.1","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 F6 Mn N6 O2 P2 -","- C21 H31 F6 Mn N6 O2 P2 -","- C84 H124 F24 Mn4 N24 O8 P8 -","4","1","","Hallett, Andrew J.; Angharad Baber, R.; Guy Orpen, A.; Ward, Benjamin D.","The co-ordination chemistry of tris(3,5-dimethylpyrazolyl)methane manganese carbonyl complexes: Synthetic, electrochemical and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9276","9283","10.1039/c1dt10828j","","","0.71073","MoKα","","0.0777","0.0642","","","0.1493","0.1575","","","","","","1.151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016548","12.5498","0.0018","14.15","0.002","19.981","0.003","90","","100.07","0.003","90","","3493.6","0.9","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cl4 F6 Mn N7 O2 P -","- C25 H31 Cl4 F6 Mn N7 O2 P -","- C100 H124 Cl16 F24 Mn4 N28 O8 P4 -","4","1","","Hallett, Andrew J.; Angharad Baber, R.; Guy Orpen, A.; Ward, Benjamin D.","The co-ordination chemistry of tris(3,5-dimethylpyrazolyl)methane manganese carbonyl complexes: Synthetic, electrochemical and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9276","9283","10.1039/c1dt10828j","","","0.71073","MoKα","","0.1361","0.0621","","","0.1434","0.1772","","","","","","1.039","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016549","9.5031","0.0019","11.975","0.002","18.978","0.004","101.34","0.03","90.1","0.03","109.02","0.03","1996.9","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H43 N2 P2 Pt2 -","- C49 H43 N2 P2 Pt2 -","- C98 H86 N4 P4 Pt4 -","2","1","","Jamali, Sirous; Czerwieniec, Rafal; Kia, Reza; Jamshidi, Zahra; Zabel, Manfred","Synthesis, structure and photophysical properties of binuclear methylplatinum complexes containing cyclometalating 2-phenylpyridine or benzo{h}quinoline ligands: a comparison of intramolecular Pt-Pt and π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9123","9130","10.1039/c1dt10834d","","","1.54178","CuKα","","0.0478","0.0365","","","0.0863","0.0903","","","","","","0.983","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016550","15.9793","0.0002","18.5039","0.0002","15.2131","0.0002","90","","90.463","0.001","90","","4498.05","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55.28 H44 Cl1.58 N2 P2 Pt2 -","- C55.28 H44 Cl1.58 N2 P2 Pt2 -","- C221.12 H176 Cl6.32 N8 P8 Pt8 -","4","0.5","","Jamali, Sirous; Czerwieniec, Rafal; Kia, Reza; Jamshidi, Zahra; Zabel, Manfred","Synthesis, structure and photophysical properties of binuclear methylplatinum complexes containing cyclometalating 2-phenylpyridine or benzo{h}quinoline ligands: a comparison of intramolecular Pt-Pt and π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9123","9130","10.1039/c1dt10834d","","","1.54184","CuKα","","0.0218","0.0212","","","0.0527","0.053","","","","","","1.087","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016551","6.8451","0.0005","19.914","0.002","20.9767","0.0016","90","","90","","90","","2859.4","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 I2 N2 Pt2 -","- C30 H28 I2 N2 Pt2 -","- C120 H112 I8 N8 Pt8 -","4","0.5","","Jamali, Sirous; Czerwieniec, Rafal; Kia, Reza; Jamshidi, Zahra; Zabel, Manfred","Synthesis, structure and photophysical properties of binuclear methylplatinum complexes containing cyclometalating 2-phenylpyridine or benzo{h}quinoline ligands: a comparison of intramolecular Pt-Pt and π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9123","9130","10.1039/c1dt10834d","","","0.71073","MoKα","","0.0761","0.0665","","","0.1806","0.1948","","","","","","1.068","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016552","10.5609","0.0006","14.0596","0.0007","19.888","0.001","100.191","0.004","97.361","0.004","97.999","0.004","2842.6","0.3","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C100 H28 Cl Ni P2 -","- C100 H28 Cl Ni P2 -","- C200 H56 Cl2 Ni2 P4 -","2","1","","Konarev, Dmitri V.; Simonov, Sergey V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Preparation of η(2)-complexes of fullerenes by reduction. Crystal structure and optical properties of {Ni(dppp)·(η(2)-C(70))}·(C(6)H(4)Cl(2))(0.5).","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9176","9179","10.1039/c1dt10839e","","","0.7107","MoKα","","0.07","0.0558","","","0.1431","0.153","","","","","","1.036","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016553","7.5768","0.0008","9.0165","0.0009","13.2149","0.0014","81.537","0.002","74.109","0.002","89.975","0.002","858.08","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","tetra-(propionato-O,O')-tetracopper(I,I,I,I)","tetra-(propionato-O,O')-tetracopper(I,I,I,I)","","- C12 H20 Cu4 O8 -","- C12 H20 Cu4 O8 -","- C24 H40 Cu8 O16 -","2","1","","Hietsoi, Oleksandr; Filatov, Alexander S.; Dubceac, Cristina; Petrukhina, Marina A.","Tetranuclear copper(i) carboxylates: the effect of a stepwise increase in Lewis acidity on solid-state structures and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8598","8603","10.1039/c1dt10848d","","","0.71073","Mo-Kα","","0.0329","0.0276","","","0.0719","0.0764","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016554","7.644","0.002","9.126","0.002","12.947","0.004","82.081","0.004","74.388","0.004","89.996","0.004","860.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","tris-(propionato-O,O')-mono-(trifluoroacetato-O,O')- tetracopper(I,I,I,I)","tris-(propionato-O,O')-mono-(trifluoroacetato-O,O')- tetracopper(I,I,I,I)","","- C11 H15 Cu4 F3 O8 -","- C11 H15 Cu4 F3 O8 -","- C22 H30 Cu8 F6 O16 -","2","1","","Hietsoi, Oleksandr; Filatov, Alexander S.; Dubceac, Cristina; Petrukhina, Marina A.","Tetranuclear copper(i) carboxylates: the effect of a stepwise increase in Lewis acidity on solid-state structures and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8598","8603","10.1039/c1dt10848d","","","0.71073","Mo-Kα","","0.0691","0.0557","","","0.1553","0.1683","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016555","9.5176","0.0012","10.2037","0.0013","12.9156","0.0016","82.578","0.002","68.502","0.002","88.872","0.002","1156.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","tetra-(pentafluoropropionato-O,O')-tetracopper(I,I,I,I)","tetra-(pentafluoropropionato-O,O')-tetracopper(I,I,I,I)","","- C12 Cu4 F20 O8 -","- C12 Cu4 F20 O8 -","- C24 Cu8 F40 O16 -","2","1","","Hietsoi, Oleksandr; Filatov, Alexander S.; Dubceac, Cristina; Petrukhina, Marina A.","Tetranuclear copper(i) carboxylates: the effect of a stepwise increase in Lewis acidity on solid-state structures and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8598","8603","10.1039/c1dt10848d","","","0.71073","Mo-Kα","","0.0562","0.0467","","","0.1277","0.1361","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016556","8.9721","0.0008","8.9721","0.0008","15.304","0.003","90","","90","","120","","1066.9","0.2","100","2","296","2","","","","","","","","4","P 32","P 32","145","MVLIF-1","","","- C14 H13 Li N6 -","- C14 H13 Li N6 -","- C42 H39 Li3 N18 -","3","1","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","A mixed ligand route for the construction of tetrahedrally coordinated porous lithium frameworks.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8072","8074","10.1039/c1dt10859j","","","0.71073","MoKα","","0.0464","0.0414","","","0.1098","0.1163","","","","","","0.679","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016557","9.23","0.04","9.46","0.04","14.73","0.06","90","","90","","90","","1286","9","100","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MVLIF-2","","","- C12 H15 Li N6 -","- C12 H15 Li N6 -","- C48 H60 Li4 N24 -","4","1","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","A mixed ligand route for the construction of tetrahedrally coordinated porous lithium frameworks.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8072","8074","10.1039/c1dt10859j","","","0.71073","MoKα","","0.0854","0.0605","","","0.1473","0.1972","","","","","","0.975","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016558","11.7563","0.0016","11.2145","0.0013","15.6509","0.0018","90","","100.273","0.004","90","","2030.4","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H24 F10 Mn2 N4 O4 -","- C54 H24 F10 Mn2 N4 O4 -","- C108 H48 F20 Mn4 N8 O8 -","2","0.5","","El Ghachtouli, Sanae; Wójcik, Karolina; Copey, Laurent; Szydlo, Florence; Framery, Eric; Goux-Henry, Catherine; Billon, Laurianne; Charlot, Marie-France; Guillot, Régis; Andrioletti, Bruno; Aukauloo, Ally","Dipyrrinphenol-Mn(iii) complex: synthesis, electrochemistry, spectroscopic characterisation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9090","9093","10.1039/c1dt10868a","","x-ray","0.71073","MoKα","","0.1189","0.0559","","","0.1013","0.1217","","","","","","1","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016559","9.8445","0.0004","9.9405","0.0005","20.4221","0.0009","76.143","0.003","84.799","0.003","76.694","0.003","1886.9","0.15","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C37 H47 Cl2 O10 P W2 -","- C37 H47 Cl2 O10 P W2 -","- C74 H94 Cl4 O20 P2 W4 -","2","1","","Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.; Vega, M. Fernanda","C-X bond formation and cleavage in the reactions of the ditungsten hydride complex [W(2)(η(5)-C(5)H(5))(2)(H)(μ-PCy(2))(CO)(2)] with small molecules having multiple C-X bonds (X = C, N, O).","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8294","8297","10.1039/c1dt10871a","","x-ray","0.71073","MoKα","","0.1085","0.0585","","","0.1007","0.1151","","","","","","1","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016560","10.806","0.003","11.238","0.003","16.928","0.006","99.745","0.018","105.113","0.018","105.295","0.013","1850.7","1","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C41 H51 N2 O P W2 -","- C41 H51 N2 O P W2 -","- C82 H102 N4 O2 P2 W4 -","2","1","","Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.; Vega, M. Fernanda","C-X bond formation and cleavage in the reactions of the ditungsten hydride complex [W(2)(η(5)-C(5)H(5))(2)(H)(μ-PCy(2))(CO)(2)] with small molecules having multiple C-X bonds (X = C, N, O).","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8294","8297","10.1039/c1dt10871a","","x-ray","0.71073","MoKα","","0.1451","0.0674","","","0.1594","0.2032","","","","","","1.022","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016561","13.9983","0.0006","12.3286","0.0006","17.0691","0.0009","90","","92.294","0.002","90","","2943.4","0.2","100","0.1","100","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 O3 P W2 -","- C32 H41 O3 P W2 -","- C128 H164 O12 P4 W8 -","4","1","","Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.; Vega, M. Fernanda","C-X bond formation and cleavage in the reactions of the ditungsten hydride complex [W(2)(η(5)-C(5)H(5))(2)(H)(μ-PCy(2))(CO)(2)] with small molecules having multiple C-X bonds (X = C, N, O).","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8294","8297","10.1039/c1dt10871a","","x-ray","0.71073","MoKα","","0.0879","0.0513","","","0.1031","0.1202","","","","","","1.047","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016562","11.693","0.004","12.758","0.005","22.391","0.008","90","","102.867","0.005","90","","3256","2","100","0.1","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 Cl2 O3 P W2 -","- C33 H43 Cl2 O3 P W2 -","- C132 H172 Cl8 O12 P4 W8 -","4","1","","Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.; Vega, M. Fernanda","C-X bond formation and cleavage in the reactions of the ditungsten hydride complex [W(2)(η(5)-C(5)H(5))(2)(H)(μ-PCy(2))(CO)(2)] with small molecules having multiple C-X bonds (X = C, N, O).","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8294","8297","10.1039/c1dt10871a","","x-ray","0.71073","MoKα","","0.066","0.0483","","","0.1228","0.1362","","","","","","1.105","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016563","21.808","0.002","17.048","0.0018","15.9333","0.0017","90","","120.487","0.002","90","","5104.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","12,14,16,52,54,56-Hexamethyl-1,5(1,3,5)-tribenzena- 3,7,10(1,3)-tri-benzimidazoliabicyclo(3.3.3)undecaphane tribromide 7.7hydrate","","","- C45 H60.4 Br3 N6 O7.7 -","- C45 H55 Br3 N6 O7.7 -","- C180 H220 Br12 N24 O30.8 -","4","0.5","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fabbrizzi, Luigi; Fusco, Nadia","The solution stability of copper(i) and silver(i) complexes with N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8367","8376","10.1039/c1dt10894h","","","0.71073","MoKα","","0.0909","0.0716","","","0.2118","0.2331","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016564","15.0018","0.0014","25.6183","0.0012","21.9405","0.0012","90","","97.797","0.001","90","","8354.2","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(12,14,16,52,54,56-Hexamethyl-1,5(1,3,5)-tribenzena- 3,7,10(1,3)-tri-benzimidazoliabicyclo(3.3.3)undecaphane -32,72- diylidene)-cooper(i) bis(perchlorate)","","","- C90 H86 Cl4 Cu2 N12 O16 -","- C90 H86 Cl4 Cu2 N12 O16 -","- C360 H344 Cl16 Cu8 N48 O64 -","4","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fabbrizzi, Luigi; Fusco, Nadia","The solution stability of copper(i) and silver(i) complexes with N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8367","8376","10.1039/c1dt10894h","","","0.71073","MoKα","","0.0989","0.0744","","","0.2214","0.2482","","","","","","1.025","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016565","15.243","0.007","17.179","0.008","17.4","0.006","90","","90","","90","","4556","3","293","2","293","2","","","","","","","","5","I b m m","-I 2c 2c","74","","","","- C45 H53 Ag N8 O11 -","- C45 H43 Ag N8 O11 -","- C180 H172 Ag4 N32 O44 -","4","0.25","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fabbrizzi, Luigi; Fusco, Nadia","The solution stability of copper(i) and silver(i) complexes with N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8367","8376","10.1039/c1dt10894h","","","0.71073","MoKα","","0.1151","0.0914","","","0.2487","0.2719","","","","","","1.114","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016566","13.5093","0.0007","10.258","0.0003","13.9549","0.0006","90","","109.925","0.005","90","","1818.09","0.15","295","2","295","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N6 O2 Pt -","- C38 H40 N6 O2 Pt -","- C76 H80 N12 O4 Pt2 -","2","0.5","","Lemouchi, C.; Barrès, A-L; Mézière, C; Rondeau, D.; Zorina, L.; Wzietek, P.; Batail, P.","Asymmetric addition of pyridine to 1,4-bis(ethynyl)bicyclo[2.2.2]octane: dissymmetrical rotator ligands illustrated in dpppPt(ii) and [Re(6)Se(8)](2+) complexes and an amphidynamic hydrogen bonded framework solid.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8075","8078","10.1039/c1dt10913h","","","0.71073","MoKα","","0.0603","0.0221","","","0.0423","0.0503","","","","","","1.018","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016567","7.4959","0.0006","10.4941","0.0006","20.1343","0.0012","85.314","0.005","86.274","0.005","76.779","0.006","1534.94","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H31 Br Cl2 F6 N5 Ni P -","- C28 H31 Br Cl2 F6 N5 Ni P -","- C56 H62 Br2 Cl4 F12 N10 Ni2 P2 -","2","1","","Brown, David H.; Skelton, Brian W.","Nickel complexes of a bis(benzimidazolin-2-ylidene)pyridine pincer ligand with four- and five-coordinate geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8849","8858","10.1039/c1dt10928f","","","0.71073","MoKα","","0.079","0.0442","","","0.0952","0.1012","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016568","8.8351","0.0005","9.5675","0.0005","15.9437","0.001","83.742","0.005","87.414","0.005","82.567","0.005","1327.77","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Cl F6 N5 Ni P -","- C27 H29 Cl F6 N5 Ni P -","- C54 H58 Cl2 F12 N10 Ni2 P2 -","2","1","","Brown, David H.; Skelton, Brian W.","Nickel complexes of a bis(benzimidazolin-2-ylidene)pyridine pincer ligand with four- and five-coordinate geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8849","8858","10.1039/c1dt10928f","","","0.71073","MoKα","","0.1031","0.0444","","","0.0777","0.0866","","","","","","0.834","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016569","23.7588","0.0009","4.977","0.0002","26.536","0.001","90","","115.587","0.005","90","","2830.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cl2 N5 Ni O3 -","- C27 H29 Cl2 N5 Ni O3 -","- C108 H116 Cl8 N20 Ni4 O12 -","4","1","","Brown, David H.; Skelton, Brian W.","Nickel complexes of a bis(benzimidazolin-2-ylidene)pyridine pincer ligand with four- and five-coordinate geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8849","8858","10.1039/c1dt10928f","","","1.54178","CuKα","","0.0716","0.0536","","","0.1613","0.1749","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016570","13.7294","0.0017","8.6736","0.0006","20.423","0.003","90","","92.463","0.01","90","","2429.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl2 N5 Ni -","- C27 H29 Cl2 N5 Ni -","- C108 H116 Cl8 N20 Ni4 -","4","1","","Brown, David H.; Skelton, Brian W.","Nickel complexes of a bis(benzimidazolin-2-ylidene)pyridine pincer ligand with four- and five-coordinate geometries.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8849","8858","10.1039/c1dt10928f","","","1.54178","CuKα","","0.0944","0.0729","","","0.2065","0.2185","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016571","8.722","0.0006","11.5158","0.0008","14.3744","0.001","102.32","0.006","91.092","0.006","112.112","0.007","1298.88","0.18","130","2","130","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","{[(dippe)Ni(CO)]2(mu-dippe)}","","- C44 H96 Ni2 O2 P6 -","- C44 H96 Ni2 O2 P6 -","- C44 H96 Ni2 O2 P6 -","1","0.5","","González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J","Reduction of CO(2) and SO(2) with low valent nickel compounds under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9116","9122","10.1039/c1dt10972c","","x-ray","1.5418","CuKα","","0.0499","0.0394","","","0.0905","0.0957","","","","","","1.083","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016572","22.7088","0.0003","22.7088","0.0003","7.9025","0.0002","90","","90","","90","","4075.24","0.13","130","2","130","2","","","","","","","synthesis as described","6","P 42/n","-P 4bc","86","","[(dippe)Ni(S2O3)]","","- C14 H32 Ni O3 P2 S2 -","- C14 H32 Ni O3 P2 S2 -","- C112 H256 Ni8 O24 P16 S16 -","8","","","González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J","Reduction of CO(2) and SO(2) with low valent nickel compounds under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9116","9122","10.1039/c1dt10972c","","x-ray","0.71073","MoKα","","0.0488","0.0361","","","0.0961","0.0989","","","","","","1.096","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016573","10.0638","0.0002","13.5769","0.0002","13.6782","0.0002","96.863","0.001","98.995","0.001","90.964","0.001","1831.51","0.05","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H84 F12 N8 O14 Pd2 S4 Si4 -","- C49 H84 F12 N8 O14 Pd2 S4 Si4 -","- C49 H84 F12 N8 O14 Pd2 S4 Si4 -","1","0.5","","Ahn, Jungmin; Min Kim, Sung; Hwan Noh, Tae; Jung, Ok-Sang","Pseudorotaxane-type n-hydrocarbon container. Metallacyclodimer of ionic palladium(ii) complexes containing 1,3-bis(4-pyridyl)tetramethyldisiloxane.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8520","8522","10.1039/c1dt10980d","","","0.71073","MoKα","","0.0981","0.0572","","","0.1171","0.1321","","","","","","1.06","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016574","10.0994","0.0002","13.5934","0.0002","13.6673","0.0003","96.268","0.001","99.365","0.001","91.007","0.001","1839.05","0.06","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H86 F12 N8 O14 Pd2 S4 Si4 -","- C50 H86 F12 N8 O14 Pd2 S4 Si4 -","- C50 H86 F12 N8 O14 Pd2 S4 Si4 -","1","0.5","","Ahn, Jungmin; Min Kim, Sung; Hwan Noh, Tae; Jung, Ok-Sang","Pseudorotaxane-type n-hydrocarbon container. Metallacyclodimer of ionic palladium(ii) complexes containing 1,3-bis(4-pyridyl)tetramethyldisiloxane.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8520","8522","10.1039/c1dt10980d","","","0.71073","MoKα","","0.0384","0.0345","","","0.0913","0.0945","","","","","","1.028","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016575","10.0959","0.0002","13.5504","0.0002","13.6869","0.0002","95.811","0.001","98.551","0.001","91.102","0.001","1840.97","0.05","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H88 F12 N8 O14 Pd2 S4 Si4 -","- C51 H88 F12 N8 O14 Pd2 S4 Si4 -","- C51 H88 F12 N8 O14 Pd2 S4 Si4 -","1","0.5","","Ahn, Jungmin; Min Kim, Sung; Hwan Noh, Tae; Jung, Ok-Sang","Pseudorotaxane-type n-hydrocarbon container. Metallacyclodimer of ionic palladium(ii) complexes containing 1,3-bis(4-pyridyl)tetramethyldisiloxane.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8520","8522","10.1039/c1dt10980d","","","0.71073","MoKα","","0.1356","0.0753","","","0.1636","0.1959","","","","","","1.022","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016576","10.813","0.01","8.566","0.008","12.667","0.011","90","","99.228","0.012","90","","1158.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Li N2 O -","- C11 H13 Li N2 O -","- C44 H52 Li4 N8 O4 -","4","1","","Zhang, Jie; Han, Yanan; Chen, Zhenxia; Zhou, Xigeng","Rare-earth metal-mediated addition/cyclization of the 2-cyanobenzoamino anion.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9098","9100","10.1039/c1dt10990a","","","0.71073","MoKα","","0.1231","0.0835","","","0.2364","0.2638","","","","","","0.994","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016577","13.067","0.004","20.093","0.006","14.494","0.005","90","","115.783","0.004","90","","3426.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Er Li N4 O3 -","- C36 H44 Er Li N4 O3 -","- C144 H176 Er4 Li4 N16 O12 -","4","1","","Zhang, Jie; Han, Yanan; Chen, Zhenxia; Zhou, Xigeng","Rare-earth metal-mediated addition/cyclization of the 2-cyanobenzoamino anion.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9098","9100","10.1039/c1dt10990a","","","0.71073","MoKα","","0.1","0.0387","","","0.038","0.0441","","","","","","0.78","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016578","9.6124","0.0008","12.1841","0.001","14.0241","0.0011","71.523","0.001","87.454","0.001","71.141","0.001","1471.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H54 Mn2 Na2 O59 W8 -","- C6 Mn2 Na2 O59 W8 -","- C6 Mn2 Na2 O59 W8 -","1","0.5","","Niu, Jingyang; Yang, Linping; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","Novel octatungstate-supported tricarbonyl metal derivatives: {[H(2)W(8)O(30)][M(CO)(3)](2)}(8-) (M = Mn(I) and Re(I)).","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8298","8300","10.1039/c1dt11042j","","","0.71073","MoKα","","0.1016","0.0689","","","0.1823","0.2061","","","","","","1.068","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016579","11.118","0.004","11.519","0.004","12.269","0.004","98.291","0.005","103.668","0.005","105.798","0.005","1432.1","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H50 Mn3 Na6 O60 W8 -","- C6 Mn3 Na6 O60 W8 -","- C6 Mn3 Na6 O60 W8 -","1","0.5","","Niu, Jingyang; Yang, Linping; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","Novel octatungstate-supported tricarbonyl metal derivatives: {[H(2)W(8)O(30)][M(CO)(3)](2)}(8-) (M = Mn(I) and Re(I)).","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8298","8300","10.1039/c1dt11042j","","","0.71073","MoKα","","0.0385","0.0342","","","0.0882","0.0909","","","","","","1.027","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016580","9.443","0.006","12.053","0.008","13.891","0.009","72.176","0.01","88.395","0.01","71.095","0.011","1419.5","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H48 Na6 O58 Re2 W8 -","- C6 Na6 O58 Re2 W8 -","- C6 Na6 O58 Re2 W8 -","1","0.5","","Niu, Jingyang; Yang, Linping; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","Novel octatungstate-supported tricarbonyl metal derivatives: {[H(2)W(8)O(30)][M(CO)(3)](2)}(8-) (M = Mn(I) and Re(I)).","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8298","8300","10.1039/c1dt11042j","","","0.71073","MoKα","","0.1671","0.0892","","","0.2141","0.2735","","","","","","1.026","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016581","12.5949","0.0007","13.7791","0.0008","11.4521","0.0007","90","","116.418","0.001","90","","1779.92","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Ir N O6 -","- C17 H24 Ir N O6 -","- C68 H96 Ir4 N4 O24 -","4","1","","Hanh Nguyen, Duc; Pérez-Torrente, Jesús J; Lomba, Laura; Victoria Jiménez, M; Lahoz, Fernando J.; Oro, Luis A.","Unsaturated iridium pyridinedicarboxylate pincer complexes with catalytic activity in borylation of arenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8429","8435","10.1039/c1dt11046b","","","0.71073","MoKα","","0.0321","0.0268","","","0.0588","0.0607","","","","","","1.051","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016582","21.111","0.012","17.0489","0.001","17.781","0.001","90","","92.586","0.007","90","","6393","4","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H96 Cs2 Mn10 N18 O42 -","- C80 H90 Cs2 Mn10 N18 O42 -","- C160 H180 Cs4 Mn20 N36 O84 -","2","0.5","","Anwar, Muhammad Usman; Dawe, Louise Nicole; Thompson, Laurence Kenneth","Approaching polymetallic 'Assemblies of Assemblies' using ligands with multiple functionality - novel Mn(10)M(2) (M = alkali metal) chains with 'ionophoric' end cavities.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8079","8082","10.1039/c1dt11067e","","","0.71075","MoKα","","0.101","0.094","","","0.2794","0.2867","","","","","","1.103","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016583","20.417","0.002","16.518","0.004","23.503","0.004","90","","113.439","0.008","90","","7272","2","213","2","213","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C88 H80 Fe2 P4 S2 -","- C88 H80 Fe2 P4 S2 -","- C352 H320 Fe8 P16 S8 -","4","1","","Johno, Keita; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Making organometallic molecular wires via oxidative ligand coupling.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8089","8091","10.1039/c1dt11077b","","","0.71073","MoKα","","0.167","0.0812","","","0.1842","0.2119","","","","","","0.976","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016584","18.111","0.0009","11.945","0.0004","24.9682","0.0011","90","","98.449","0.003","90","","5342.9","0.4","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H24 Cl O0.5 P2 S2 Sb -","- C27 H24 Cl O0.5 P2 S2 Sb -","- C216 H192 Cl8 O4 P16 S16 Sb8 -","8","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Vargas-Baca, Ignacio","S,C,S-Pnictogen bonding in pincer complexes of the methanediide [C(Ph(2)PS)(2)](2-).","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8086","8088","10.1039/c1dt11144b","","","0.71073","MoKα","","0.0687","0.0515","","","0.1434","0.1765","","","","","","1.22","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7016585","17.978","0.004","11.922","0.002","24.932","0.01","90","","98.83","0.03","90","","5280","3","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C51 H42 Bi2 Cl4 P4 S4 -","- C51 H42 Bi2 Cl4 P4 S4 -","- C204 H168 Bi8 Cl16 P16 S16 -","4","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Vargas-Baca, Ignacio","S,C,S-Pnictogen bonding in pincer complexes of the methanediide [C(Ph(2)PS)(2)](2-).","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8086","8088","10.1039/c1dt11144b","","","0.71073","MoKα","","0.0661","0.049","","","0.094","0.1037","","","","","","1.084","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016586","8.959","0.0006","9.0096","0.0006","34.274","0.003","93.165","0.002","93.306","0.001","90.187","0.001","2757.6","0.4","293","2","293","2","","","","","","","From data block 1","5","P -1","-P 1","2","","","","- C14 H12 Bi Cl S -","- C14 H12 Bi Cl S -","- C112 H96 Bi8 Cl8 S8 -","8","4","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.0714","0.0569","","","0.1561","0.1641","","","","","","1.009","","","","has coordinates","282885","2023-04-27","16:28:07",""
"7016587","8.9433","0.0004","19.9454","0.0009","20.0095","0.0009","78.948","0.001","88.436","0.001","88.354","0.001","3500.7","0.3","173","2","173","2","","","","","","","From data block 5b","6","P -1","-P 1","2","","","","- C41 H42 Bi Ge N O2 -","- C41 H42 Bi Ge N O2 -","- C164 H168 Bi4 Ge4 N4 O8 -","4","2","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.0294","0.0259","","","0.0679","0.0697","","","","","","1.01","","","","has coordinates","282886","2023-04-27","16:48:25",""
"7016588","13.8231","0.0017","11.7666","0.0014","10.0447","0.0012","90","","92.639","0.002","90","","1632","0.3","293","2","293","2","","","","","","","From data block cd29137, block I","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Bi Cl O5 S -","- C14 H14 Bi Cl O5 S -","- C56 H56 Bi4 Cl4 O20 S4 -","4","1","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.0667","0.0572","","","0.1499","0.1545","","","","","","1.074","","","","has coordinates","282886","2023-04-27","16:48:25",""
"7016589","24.7673","0.0017","11.7803","0.0008","10.0588","0.0007","90","","97.842","0.001","90","","2907.4","0.3","293","2","293","2","","","","","","","From datablock cd29204, block I","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Bi F17 O4 S2 -","- C22 H14 Bi F17 O4 S2 -","- C88 H56 Bi4 F68 O16 S8 -","4","1","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.0693","0.0518","","","0.1287","0.1352","","","","","","0.94","","","","has coordinates,has disorder","282886","2023-04-27","16:48:25",""
"7016590","10.2965","0.0007","10.6213","0.0007","14.17","0.001","90","","95.407","0.001","90","","1542.77","0.18","173","2","173","2","","","","","","","From datablock wy2039wm","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.0537","0.047","","","0.133","0.142","","","","","","0.99","","","","has coordinates","282886","2023-04-27","16:48:25",""
"7016591","13.8004","0.0008","11.5529","0.0006","9.8253","0.0006","90","","93.005","0.001","90","","1564.34","0.15","296","2","296","2","","","","","","","From datablock wy2049wc","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 B Bi F4 O S -","- C14 H14 B Bi F4 O S -","- C56 H56 B4 Bi4 F16 O4 S4 -","4","1","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.0399","0.039","","","0.1081","0.1089","","","","","","1.047","","","","has coordinates","282886","2023-04-27","16:48:25",""
"7016592","19.5855","0.0016","11.7682","0.001","9.9156","0.0008","90","","96.034","0.001","90","","2272.7","0.3","173","2","173","2","","","","","","","From datablock wy2211wc","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Bi F9 O4 S2 -","- C18 H14 Bi F9 O4 S2 -","- C72 H56 Bi4 F36 O16 S8 -","4","1","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.038","0.0347","","","0.096","0.0986","","","","","","1.039","","","","has coordinates","282886","2023-04-27","16:48:25",""
"7016593","24.7673","0.0017","11.7803","0.0008","10.0588","0.0007","90","","97.842","0.001","90","","2907.4","0.3","293","2","293","2","","","","","","","From datablock cd29204, block II","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Bi F17 O4 S2 -","- C22 H14 Bi F17 O4 S2 -","- C88 H56 Bi4 F68 O16 S8 -","4","1","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.0641","0.0499","","","0.1236","0.1294","","","","","","0.962","","","","has coordinates,has disorder","282886","2023-04-27","16:48:25",""
"7016594","8.959","0.0006","9.0096","0.0006","34.274","0.003","93.165","0.002","93.306","0.001","90.187","0.001","2757.6","0.4","293","2","293","2","","","","","","","From data block wy1909wm","5","P -1","-P 1","2","","","","- C14 H12 Bi Cl S -","- C14 H12 Bi Cl S -","- C112 H96 Bi8 Cl8 S8 -","8","4","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.0714","0.0569","","","0.1561","0.1641","","","","","","1.009","","","","has coordinates","282885","2023-04-27","16:28:07",""
"7016595","13.8231","0.0017","11.7666","0.0014","10.0447","0.0012","90","","92.639","0.002","90","","1632","0.3","293","2","293","2","","","","","","","From data block cd29137, block II","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Bi Cl O5 S -","- C14 H14 Bi Cl O5 S -","- C56 H56 Bi4 Cl4 O20 S4 -","4","1","","Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung","Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9482","9489","10.1039/c0dt01419b","","","0.71073","MoKα","","0.0667","0.0573","","","0.15","0.1546","","","","","","1.074","","","","has coordinates","282886","2023-04-27","16:48:25",""
"7016596","15.6204","0.0003","14.705","0.0003","27.088","0.0006","90","","102.69","0.001","90","","6070.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H62 B F2 Fe N4 P3 -","- C73 H61.99 B F2.01 Fe N4 P3 -","- C292 H247.96 B4 F8.04 Fe4 N16 P12 -","4","1","","Albers, Thomas; Baker Neé Johnstone, Julia; Coles, Simon J.; Edwards, Peter G.; Kariuki, Benson; Newman, Paul D.","Iron(ii) template synthesis of benzannulated triphospha- and triarsamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9525","9532","10.1039/c0dt01724h","","","0.71073","MoKα","","0.1707","0.0784","","","0.1615","0.1946","","","","","","0.97","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016597","15.65","0.0003","14.7771","0.0004","27.3245","0.0005","90","","102.417","0.002","90","","6171.3","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H62 As3 B F2 Fe N4 -","- C73 H62.001 As3 B F1.999 Fe N4 -","- C292 H248.004 As12 B4 F7.996 Fe4 N16 -","4","1","","Albers, Thomas; Baker Neé Johnstone, Julia; Coles, Simon J.; Edwards, Peter G.; Kariuki, Benson; Newman, Paul D.","Iron(ii) template synthesis of benzannulated triphospha- and triarsamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9525","9532","10.1039/c0dt01724h","","","0.71073","MoKα","","0.1251","0.0834","","","0.2585","0.3029","","","","","","1.06","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016598","15.414","0.003","11.877","0.002","24.154","0.005","90","","90","","90","","4421.9","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H38 Co3 N4 O16 -","- C44 H38 Co3 N4 O16 -","- C176 H152 Co12 N16 O64 -","4","0.5","","Chen, Wen-Xian; Zhuang, Gui-Lin; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Magnetic and thermal properties of three ionothermally synthesized metal-carboxylate frameworks of [M(3)(ip)(4)][EMIm](2) (M = Co, Ni, Mn, H(2)ip = isophthalic acid, EMIm = 1-ethyl-3-methyl imidazolium).","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10237","10241","10.1039/c1dt10070j","","","0.71073","MoKα","","0.1228","0.0637","","","0.1475","0.1758","","","","","","1.029","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016599","15.4912","0.0006","11.6687","0.0005","23.7502","0.0009","90","","90","","90","","4293.1","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H38 N4 Ni3 O16 -","- C44 H38 N4 Ni3 O16 -","- C176 H152 N16 Ni12 O64 -","4","0.5","","Chen, Wen-Xian; Zhuang, Gui-Lin; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Magnetic and thermal properties of three ionothermally synthesized metal-carboxylate frameworks of [M(3)(ip)(4)][EMIm](2) (M = Co, Ni, Mn, H(2)ip = isophthalic acid, EMIm = 1-ethyl-3-methyl imidazolium).","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10237","10241","10.1039/c1dt10070j","","","0.71073","MoKα","","0.0807","0.0389","","","0.0635","0.0702","","","","","","0.917","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016600","13.092","0.003","14.49","0.003","12.64","0.003","90","","116.85","0.03","90","","2139.3","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Mn3 N4 O16 -","- C44 H38 Mn3 N4 O16 -","- C88 H76 Mn6 N8 O32 -","2","0.5","","Chen, Wen-Xian; Zhuang, Gui-Lin; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Magnetic and thermal properties of three ionothermally synthesized metal-carboxylate frameworks of [M(3)(ip)(4)][EMIm](2) (M = Co, Ni, Mn, H(2)ip = isophthalic acid, EMIm = 1-ethyl-3-methyl imidazolium).","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10237","10241","10.1039/c1dt10070j","","","0.71073","MoKα","","0.092","0.0579","","","0.1282","0.1795","","","","","","1.149","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016601","23.695","0.009","10.38","0.004","15.684","0.006","90","","90","","90","","3858","3","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C47 H46 N2 S Yb -","- C47 H46 N2 S Yb -","- C188 H184 N8 S4 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Gudilenkov, Ivan D.; Fukin, Georgy K.; Giambastiani, Giuliano; Bianchini, Claudio; Rossin, Andrea; Luconi, Lapo; Filippi, Jonathan; Sorace, Lorenzo","Steric control on the redox chemistry of (η(5)-C(9)H(7))(2)Yb(II)(THF)(2) by 6-aryl substituted iminopyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10568","10575","10.1039/c1dt10135h","","x-ray","0.71069","MoKα","","0.0431","0.0321","","","0.0695","0.0715","","","","","","0.953","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016602","23.6885","0.0007","10.4564","0.0003","15.6524","0.0005","90","","90","","90","","3877","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H46 N2 S Yb -","- C47 H46 N2 S Yb -","- C188 H184 N8 S4 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Gudilenkov, Ivan D.; Fukin, Georgy K.; Giambastiani, Giuliano; Bianchini, Claudio; Rossin, Andrea; Luconi, Lapo; Filippi, Jonathan; Sorace, Lorenzo","Steric control on the redox chemistry of (η(5)-C(9)H(7))(2)Yb(II)(THF)(2) by 6-aryl substituted iminopyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10568","10575","10.1039/c1dt10135h","","","0.71073","MoKα","","0.019","0.0184","","","0.0458","0.0461","","","","","","1.067","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016603","9.293","0.004","37.396","0.001","10.314","0.004","90","","114.897","0.005","90","","3251.2","1.9","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 N2 Yb -","- C42 H40 N2 Yb -","- C168 H160 N8 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Gudilenkov, Ivan D.; Fukin, Georgy K.; Giambastiani, Giuliano; Bianchini, Claudio; Rossin, Andrea; Luconi, Lapo; Filippi, Jonathan; Sorace, Lorenzo","Steric control on the redox chemistry of (η(5)-C(9)H(7))(2)Yb(II)(THF)(2) by 6-aryl substituted iminopyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10568","10575","10.1039/c1dt10135h","","x-ray","0.71069","MoKα","","0.0601","0.039","","","0.066","0.0693","","","","","","0.933","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016604","10.309","0.004","27.522","0.011","11.346","0.005","90","","96.968","0.003","90","","3195","2","120","2","120","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C40 H38 N2 O Yb -","- C40 H38 N2 O Yb -","- C160 H152 N8 O4 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Gudilenkov, Ivan D.; Fukin, Georgy K.; Giambastiani, Giuliano; Bianchini, Claudio; Rossin, Andrea; Luconi, Lapo; Filippi, Jonathan; Sorace, Lorenzo","Steric control on the redox chemistry of (η(5)-C(9)H(7))(2)Yb(II)(THF)(2) by 6-aryl substituted iminopyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10568","10575","10.1039/c1dt10135h","","x-ray","0.71069","MoKα","","0.056","0.0386","","","0.0636","0.0664","","","","","","0.884","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016605","16.9718","0.0015","27.801","0.002","29.551","0.003","90","","96.497","0.003","90","","13854","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H108 In10 N20 Ni3 O10 S20 -","- C100 H80 In10 N20 Ni3 S20 -","- C400 H320 In40 N80 Ni12 S80 -","4","1","","Zhang, Ya-Ping; Zhang, Xu; Mu, Wen-Qin; Luo, Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Indium sulfide clusters integrated with 2,2'-bipyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9746","9751","10.1039/c1dt10153f","","","0.71075","MoKα","","0.1811","0.101","","","0.1594","0.1914","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016606","43.056","0.004","28.77","0.002","19.3275","0.0017","90","","90","","90","","23941","3","223","2","223","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C74 H78 In10 N16 Ni2 O4 S19 -","- C65 H52 In10 N13 Ni2 S19 -","- C520 H416 In80 N104 Ni16 S152 -","8","1","","Zhang, Ya-Ping; Zhang, Xu; Mu, Wen-Qin; Luo, Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Indium sulfide clusters integrated with 2,2'-bipyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9746","9751","10.1039/c1dt10153f","","","0.71075","MoKα","","0.1355","0.0987","","","0.1565","0.1723","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016607","31.983","0.002","20.9749","0.0014","35.38","0.002","90","","92.042","0.002","90","","23719","3","223","2","223","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C286 H275 In40 N59 Ni7 O11 S74 -","- C234 H198 In40 N48 Ni7 O2 S74 -","- C468 H396 In80 N96 Ni14 O4 S148 -","2","0.5","","Zhang, Ya-Ping; Zhang, Xu; Mu, Wen-Qin; Luo, Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Indium sulfide clusters integrated with 2,2'-bipyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9746","9751","10.1039/c1dt10153f","","","0.71075","MoKα","","0.1152","0.0832","","","0.1285","0.1436","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016608","15.3409","0.0006","7.4354","0.0003","16.526","0.0007","90","","90","","90","","1885.05","0.13","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H23 B Fe -","- C24 H23 B Fe -","- C96 H92 B4 Fe4 -","4","1","","Siewert, Inke; Fitzpatrick, Philip; Broomsgrove, Alexander E. J.; Kelly, Michael; Vidovic, Dragoslav; Aldridge, Simon","Probing the influence of steric bulk on anion binding by triarylboranes: comparative studies of FcB(o-Tol)(2), FcB(o-Xyl)(2) and FcBMes(2).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10345","10350","10.1039/c1dt10185d","","","0.71073","MoKα","","0.0488","0.0425","","0.1183","0.113","0.1183","","","","","","0.9742","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016609","8.5517","0.0001","22.699","0.0003","10.346","0.0002","90","","101.394","0.0005","90","","1968.73","0.05","150","","150","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H48 B Cl3 F Fe K O6 -","- C37 H48 B Cl3 F Fe K O6 -","- C74 H96 B2 Cl6 F2 Fe2 K2 O12 -","2","1","","Siewert, Inke; Fitzpatrick, Philip; Broomsgrove, Alexander E. J.; Kelly, Michael; Vidovic, Dragoslav; Aldridge, Simon","Probing the influence of steric bulk on anion binding by triarylboranes: comparative studies of FcB(o-Tol)(2), FcB(o-Xyl)(2) and FcBMes(2).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10345","10350","10.1039/c1dt10185d","","","0.71073","MoKα","","0.0492","0.0361","","0.078","0.0719","0.078","","","","","","0.9872","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016610","11.5278","0.0002","13.2927","0.0002","13.7154","0.0002","84.1631","0.0007","71.6023","0.0007","65.2619","0.0007","1810.13","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H47 B Fe K N O6 -","- C37 H47 B Fe K N O6 -","- C74 H94 B2 Fe2 K2 N2 O12 -","2","1","","Siewert, Inke; Fitzpatrick, Philip; Broomsgrove, Alexander E. J.; Kelly, Michael; Vidovic, Dragoslav; Aldridge, Simon","Probing the influence of steric bulk on anion binding by triarylboranes: comparative studies of FcB(o-Tol)(2), FcB(o-Xyl)(2) and FcBMes(2).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10345","10350","10.1039/c1dt10185d","","","0.71073","MoKα","","0.0536","0.0369","","0.0897","0.082","0.0896","","","","","","0.9684","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016611","17.0997","0.0019","19.025","0.002","30.128","0.003","84.66","0.02","85.14","0.02","73.71","0.02","9349","2","301","2","301","2","","","","","","","","8","P -1","-P 1","2","","","","- C181 H146 Au6 Cu2 F12 N12 O9 P8 -","- C181 H138 Au6 Cu2 F12 N12 O9 P8 -","- C362 H276 Au12 Cu4 F24 N24 O18 P16 -","2","1","","He, Xiaoming; Zhu, Nianyong; Yam, Vivian Wing-Wah","Design and synthesis of luminescence chemosensors based on alkynyl phosphine gold(i)-copper(i) aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9703","9710","10.1039/c1dt10197h","","","0.71073","MoKα","","0.0953","0.0553","","","0.1476","0.1641","","","","","","1.057","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016612","19.7349","0.0008","17.2001","0.0007","21.5731","0.0008","90","","94.326","0.001","90","","7302","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[N{(C3F7)C(C6F5)N}2]H","","","- C20 H F24 N3 -","- C20 H F24 N3 -","- C240 H12 F288 N36 -","12","3","","Flores, Jaime A.; Kobayashi, Yoshihiro; Dias, H. V. Rasika","Synthesis and characterization of silver(i) adducts supported solely by 1,3,5-triazapentadienyl ligands or by triazapentadienyl and other N-donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10351","10359","10.1039/c1dt10199d","","","0.71073","MoKα","","0.0767","0.0683","","","0.1856","0.1944","","","","","","1.03","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016613","12.2939","0.0006","14.3955","0.0006","14.8014","0.0007","90","","103.43","0.001","90","","2547.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","{[N{(C3F7)C(C6F5)N}2]Ag}n","","","- C20 Ag F24 N3 -","- C20 Ag F24 N3 -","- C80 Ag4 F96 N12 -","4","1","","Flores, Jaime A.; Kobayashi, Yoshihiro; Dias, H. V. Rasika","Synthesis and characterization of silver(i) adducts supported solely by 1,3,5-triazapentadienyl ligands or by triazapentadienyl and other N-donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10351","10359","10.1039/c1dt10199d","","","0.71073","MoKα","","0.079","0.0726","","","0.1873","0.192","","","","","","1.195","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016614","10.1781","0.0006","14.2903","0.0008","18.6323","0.001","90","","93.876","0.001","90","","2703.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{[N{(C3F7)C(C6F5)N}2]AgNCCH3}n","","","- C22 H3 Ag F24 N4 -","- C22 H3 Ag F24 N4 -","- C88 H12 Ag4 F96 N16 -","4","1","","Flores, Jaime A.; Kobayashi, Yoshihiro; Dias, H. V. Rasika","Synthesis and characterization of silver(i) adducts supported solely by 1,3,5-triazapentadienyl ligands or by triazapentadienyl and other N-donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10351","10359","10.1039/c1dt10199d","","","0.71073","MoKα","","0.0364","0.0316","","","0.0726","0.0796","","","","","","1.039","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016615","20.1753","0.0012","16.8846","0.001","18.9949","0.0011","90","","116.35","0.001","90","","5798.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[N{(C3F7)C(2,6-Cl2C6H3)N}2]AgNCCH3}n","","","- C22 H9 Ag Cl4 F14 N4 -","- C22 H9 Ag Cl4 F14 N4 -","- C176 H72 Ag8 Cl32 F112 N32 -","8","2","","Flores, Jaime A.; Kobayashi, Yoshihiro; Dias, H. V. Rasika","Synthesis and characterization of silver(i) adducts supported solely by 1,3,5-triazapentadienyl ligands or by triazapentadienyl and other N-donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10351","10359","10.1039/c1dt10199d","","","0.71073","MoKα","","0.0572","0.0451","","","0.1113","0.1212","","","","","","1.039","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016616","9.574","0.0009","13.1644","0.0012","19.7396","0.0018","84.958","0.001","89.652","0.001","71.234","0.001","2345.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[N{(CF3)C(C6F5)N}2]Ag(CH3CN)2}n","","","- C20 H6 Ag F16 N5 -","- C20 H6 Ag F16 N5 -","- C80 H24 Ag4 F64 N20 -","4","2","","Flores, Jaime A.; Kobayashi, Yoshihiro; Dias, H. V. Rasika","Synthesis and characterization of silver(i) adducts supported solely by 1,3,5-triazapentadienyl ligands or by triazapentadienyl and other N-donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10351","10359","10.1039/c1dt10199d","","","0.71073","MoKα","","0.0356","0.031","","","0.0748","0.0783","","","","","","1.039","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016617","10.5771","0.0006","14.5688","0.0009","18.7937","0.0011","90","","90","","90","","2896","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","{[N{(C3F7)C(C6F5)N}2]AgNC(CH2)2CH3}n","","","- C24 H7 Ag F24 N4 -","- C24 H7 Ag F24 N4 -","- C96 H28 Ag4 F96 N16 -","4","1","","Flores, Jaime A.; Kobayashi, Yoshihiro; Dias, H. V. Rasika","Synthesis and characterization of silver(i) adducts supported solely by 1,3,5-triazapentadienyl ligands or by triazapentadienyl and other N-donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10351","10359","10.1039/c1dt10199d","","","0.71073","MoKα","","0.0233","0.0228","","","0.0551","0.0554","","","","","","1.068","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016618","11.0348","0.0007","26.8261","0.0017","11.6999","0.0007","90","","105.503","0.001","90","","3337.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[N{(C3F7)C(2,6-Cl2C6H3)N}2]AgN(C2H5)3","","","- C26 H21 Ag Cl4 F14 N4 -","- C26 H21 Ag Cl4 F14 N4 -","- C104 H84 Ag4 Cl16 F56 N16 -","4","1","","Flores, Jaime A.; Kobayashi, Yoshihiro; Dias, H. V. Rasika","Synthesis and characterization of silver(i) adducts supported solely by 1,3,5-triazapentadienyl ligands or by triazapentadienyl and other N-donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10351","10359","10.1039/c1dt10199d","","","0.71073","MoKα","","0.0458","0.037","","","0.0882","0.0937","","","","","","1.025","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016619","22.1963","0.0004","22.1963","0.0004","40.289","0.0011","90","","90","","90","","19849.4","0.7","100","2","100","2","","","","","","","","7","P -4","P -4","81","","","","- C266 H222 B16 Cu8 F64 N74 O16 -","- C266 H222 B10 Cu8 F40 N74 O16 -","- C532 H444 B20 Cu16 F80 N148 O32 -","2","0.5","","Stephenson, Andrew; Ward, Michael D.","Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10360","10369","10.1039/c1dt10263j","","","0.71073","MoKα","","0.1099","0.0807","","","0.2032","0.2203","","","","","","0.967","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016620","25.726","0.005","42.927","0.009","66.265","0.014","90","","94.909","0.013","90","","72911","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C266.5 H223.5 Cl16 N74.5 O81 Zn8 -","- C266.5 H223.5 Cl11.5 N74.5 O63 Zn8 -","- C2132 H1788 Cl92 N596 O504 Zn64 -","8","2","","Stephenson, Andrew; Ward, Michael D.","Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10360","10369","10.1039/c1dt10263j","","","0.71073","MoKα","","0.2306","0.1269","","","0.3249","0.3648","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016621","13.0255","0.0004","19.7988","0.0007","20.0373","0.0007","112.172","0.002","98.864","0.002","94.268","0.002","4678.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H156 B8 F32 N52 Ni4 O38 -","- C148 H156 B8 F32 N52 Ni4 O38 -","- C148 H156 B8 F32 N52 Ni4 O38 -","1","0.5","","Stephenson, Andrew; Ward, Michael D.","Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10360","10369","10.1039/c1dt10263j","","","0.71073","MoKα","","0.1485","0.0825","","","0.2089","0.239","","","","","","0.983","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016622","25.7813","0.0007","18.2941","0.0007","39.8811","0.0013","90","","90.621","0.003","90","","18808.6","1.1","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C136 H120 B8 Co4 F32 N40 O8 S6 -","- C136 H120 B6 Co4 F24 N40 O8 S6 -","- C544 H480 B24 Co16 F96 N160 O32 S24 -","4","0.5","","Stephenson, Andrew; Ward, Michael D.","Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10360","10369","10.1039/c1dt10263j","","","0.71073","MoKα","","0.1374","0.1091","","","0.3171","0.3369","","","","","","1.294","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016623","43.1698","0.0008","18.8181","0.0004","20.4261","0.0004","90","","90","","90","","16593.6","0.6","150","2","150","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C140 H120 B8 F32 N40 Ni4 S6 -","- C139 H118.5 B4.5 F18 N39.5 Ni4 S6 -","- C556 H474 B18 F72 N158 Ni16 S24 -","4","1","","Stephenson, Andrew; Ward, Michael D.","Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10360","10369","10.1039/c1dt10263j","","","0.71073","MoKα","","0.1723","0.1381","","","0.3704","0.3966","","","","","","1.433","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016624","54.137","0.009","18.521","0.003","43.001","0.012","90","","125.747","0.002","90","","34993","13","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H108 B8 Cu4 F32 N36 S6 -","- C132 H108 B3 Cu4 F12 N36 S6 -","- C1056 H864 B24 Cu32 F96 N288 S48 -","8","1","","Stephenson, Andrew; Ward, Michael D.","Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10360","10369","10.1039/c1dt10263j","","","0.71073","MoKα","","0.181","0.1071","","","0.2885","0.3222","","","","","","0.937","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016625","7.1886","0.0005","13.5594","0.001","15.0061","0.0011","104.558","0.003","101.438","0.003","102.818","0.003","1329.49","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H21 B2 Cd F8 N7 O3 -","- C23 H21 B2 Cd F8 N7 O3 -","- C46 H42 B4 Cd2 F16 N14 O6 -","2","1","","Stephenson, Andrew; Ward, Michael D.","Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10360","10369","10.1039/c1dt10263j","","","0.71073","MoKα","","0.0724","0.0463","","","0.1062","0.1199","","","","","","1.094","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016626","35.6228","0.0008","11.1598","0.0002","22.6321","0.0007","90","","108.367","0.002","90","","8538.9","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C69 H63 B4 Cd2 F16 N21 O6 S3 -","- C69 H63 B4 Cd2 F16 N21 O6 S3 -","- C276 H252 B16 Cd8 F64 N84 O24 S12 -","4","0.5","","Stephenson, Andrew; Ward, Michael D.","Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10360","10369","10.1039/c1dt10263j","","","0.71073","MoKα","","0.1547","0.1249","","","0.3818","0.4167","","","","","","1.767","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016627","15.2225","0.0001","13.2777","0.0001","23.5072","0.0001","90","","102.521","0.001","90","","4638.27","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H83 B11 P Rh -","- C44 H83 B11 P Rh -","- C176 H332 B44 P4 Rh4 -","4","1","","Sparkes, Hazel A.; Krämer, Tobias; Brayshaw, Simon K.; Green, Jennifer C.; Weller, Andrew S.; Howard, Judith A. K.","Experimental charge density study into C-C σ-interactions in a Binor-S rhodium complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10708","10718","10.1039/c1dt10303b","","","0.71073","MoKα","","0.067","0.027","","","","0.019","","","","","","1.515","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016628","10.305","0.001","16.467","0.002","14.043","0.001","90","","96.612","0.009","90","","2367.1","0.4","290","","290","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Fe2 N12 O2 S4 -","- C42 H44 Fe2 N12 O2 S4 -","- C84 H88 Fe4 N24 O4 S8 -","2","0.5","","Matouzenko, Galina S.; Jeanneau, Erwann; Yu Verat, Alexander; Bousseksou, Azzedine","Spin crossover and polymorphism in a family of 1,2-bis(4-pyridyl)ethene-bridged binuclear iron(ii) complexes. A key role of structural distortions.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9608","9618","10.1039/c1dt10312a","","","0.7107","MoKα","","0.0942","0.0527","","0.2112","0.1386","0.2112","","","","","","1.0006","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016629","21.017","0.003","12.429","0.001","19.39","0.003","90","","114.08","0.02","90","","4624.3","1.3","183","","183","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Fe2 N12 S4 -","- C40 H36 Fe2 N12 S4 -","- C160 H144 Fe8 N48 S16 -","4","0.5","","Matouzenko, Galina S.; Jeanneau, Erwann; Yu Verat, Alexander; Bousseksou, Azzedine","Spin crossover and polymorphism in a family of 1,2-bis(4-pyridyl)ethene-bridged binuclear iron(ii) complexes. A key role of structural distortions.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9608","9618","10.1039/c1dt10312a","","","0.71069","MoKα","","0.1006","0.067","","0.1018","0.088","0.1018","","","","","","0.9792","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016630","20.759","0.001","12.2493","0.0005","19.3996","0.0008","90","","114.008","0.002","90","","4506.2","0.3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Fe2 N12 S4 -","- C40 H36 Fe2 N12 S4 -","- C160 H144 Fe8 N48 S16 -","4","0.5","","Matouzenko, Galina S.; Jeanneau, Erwann; Yu Verat, Alexander; Bousseksou, Azzedine","Spin crossover and polymorphism in a family of 1,2-bis(4-pyridyl)ethene-bridged binuclear iron(ii) complexes. A key role of structural distortions.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9608","9618","10.1039/c1dt10312a","","","0.71069","MoKα","","0.0853","0.0735","","0.2128","0.1964","0.2128","","","","","","1.0645","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016631","20.8126","0.0008","12.7451","0.0005","18.9354","0.0007","90","","111.389","0.002","90","","4676.8","0.3","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Fe2 N12 S4 -","- C40 H36 Fe2 N12 S4 -","- C160 H144 Fe8 N48 S16 -","4","0.5","","Matouzenko, Galina S.; Jeanneau, Erwann; Yu Verat, Alexander; Bousseksou, Azzedine","Spin crossover and polymorphism in a family of 1,2-bis(4-pyridyl)ethene-bridged binuclear iron(ii) complexes. A key role of structural distortions.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9608","9618","10.1039/c1dt10312a","","","0.71069","MoKα","","0.108","0.0681","","0.2345","0.1687","0.2345","","","","","","0.964","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016632","17.084","0.005","16.804","0.005","16.316","0.005","90","","106.911","0.005","90","","4481","2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Fe2 N12 S4 -","- C40 H36 Fe2 N12 S4 -","- C160 H144 Fe8 N48 S16 -","4","1","","Matouzenko, Galina S.; Jeanneau, Erwann; Yu Verat, Alexander; Bousseksou, Azzedine","Spin crossover and polymorphism in a family of 1,2-bis(4-pyridyl)ethene-bridged binuclear iron(ii) complexes. A key role of structural distortions.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9608","9618","10.1039/c1dt10312a","","","0.71069","MoKα","","0.2297","0.0843","","0.3065","0.1837","0.3065","","","","","","1.0625","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016633","17.092","0.005","16.804","0.005","16.316","0.005","90","","106.911","0.005","90","","4484","2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Fe2 N12 S4 -","- C40 H36 Fe2 N12 S4 -","- C160 H144 Fe8 N48 S16 -","4","1","","Matouzenko, Galina S.; Jeanneau, Erwann; Yu Verat, Alexander; Bousseksou, Azzedine","Spin crossover and polymorphism in a family of 1,2-bis(4-pyridyl)ethene-bridged binuclear iron(ii) complexes. A key role of structural distortions.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9608","9618","10.1039/c1dt10312a","","","0.7107","MoKα","","0.2297","0.0843","","0.3065","0.1837","0.3065","","","","","","1.0625","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016634","14.0076","0.0002","16.3137","0.0002","17.0857","0.0003","63.705","0.002","70.812","0.002","66.189","0.002","3148.53","0.1","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H33 Ag0.5 B0.5 Cl2 F2 O2 P -","- C33 H33 Ag0.5 B0.5 Cl2 F2 O2 P -","- C132 H132 Ag2 B2 Cl8 F8 O8 P4 -","4","2","","Awada, Mouhamad; Jeunesse, Catherine; Matt, Dominique; Toupet, Loic; Welter, Richard","Binucleating behaviour of a proximally-diphosphinated calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10063","10070","10.1039/c1dt10375j","","","0.71073","MoKα","","0.064","0.0562","","","0.1681","0.1723","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016635","11.988","0.0003","13.282","0.0003","22.699","0.0005","95.162","0.002","103.609","0.002","113.39","0.002","3155.24","0.15","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.5 H62.5 Cl5.5 O4 P2 Pd2 -","- C64.5 H62.5 Cl5.5 O4 P2 Pd2 -","- C129 H125 Cl11 O8 P4 Pd4 -","2","1","","Awada, Mouhamad; Jeunesse, Catherine; Matt, Dominique; Toupet, Loic; Welter, Richard","Binucleating behaviour of a proximally-diphosphinated calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10063","10070","10.1039/c1dt10375j","","","0.71073","MoKα","","0.0603","0.0372","","","0.1151","0.1225","","","","","","0.834","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016636","22.808","0.007","15.115","0.005","17.83","0.006","90","","95.811","0.01","90","","6115","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 Au2 Cl2 O4 P2 -","- C64 H62 Au2 Cl2 O4 P2 -","- C256 H248 Au8 Cl8 O16 P8 -","4","1","","Awada, Mouhamad; Jeunesse, Catherine; Matt, Dominique; Toupet, Loic; Welter, Richard","Binucleating behaviour of a proximally-diphosphinated calix[4]arene.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10063","10070","10.1039/c1dt10375j","","","0.71073","MoKα","","0.1121","0.0556","","","0.0957","0.1101","","","","","","0.981","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016637","11.7813","0.0014","16.3076","0.0011","10.432","0.0014","90","","90.818","0.012","90","","2004","0.4","297","1","297","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N8 O3 -","- C18 H24 N8 O3 -","- C72 H96 N32 O12 -","4","1","","Pellei, Maura; Papini, Grazia; Trasatti, Andrea; Giorgetti, Marco; Tonelli, Domenica; Minicucci, Marco; Marzano, Cristina; Gandin, Valentina; Aquilanti, Giuliana; Dolmella, Alessandro; Santini, Carlo","Nitroimidazole and glucosamine conjugated heteroscorpionate ligands and related copper(ii) complexes. Syntheses, biological activity and XAS studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9877","9888","10.1039/c1dt10486a","","","1.54184","CuKα","","0.0756","0.0587","","","0.1731","0.1834","","","","","","1.061","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016638","39.475","0.015","7.891","0.003","19.526","0.007","90","","92.223","0.006","90","","6078","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 O4 Ru2 -","- C34 H34 Cl2 O4 Ru2 -","- C272 H272 Cl16 O32 Ru16 -","8","1","","Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin","Discrete half-sandwich Ir, Rh-based organometallic molecular boxes: synthesis, characterization, and their properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10370","10375","10.1039/c1dt10506j","","","0.71073","MoKα","","0.1063","0.0424","","","0.0712","0.0789","","","","","","0.663","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016639","12.764","0.005","13.32","0.005","16.76","0.006","67.201","0.005","75.383","0.005","77.627","0.006","2520.1","1.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C81.3 H93.44 Cl2.6 F12 Ir4 N4 O25.42 S4 -","- C81.3 H78.6 Cl2.6 F12 Ir4 N4 O25.422 S4 -","- C81.3 H78.6 Cl2.6 F12 Ir4 N4 O25.422 S4 -","1","0.5","","Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin","Discrete half-sandwich Ir, Rh-based organometallic molecular boxes: synthesis, characterization, and their properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10370","10375","10.1039/c1dt10506j","","","0.71073","MoKα","","0.1134","0.0557","","","0.1252","0.1417","","","","","","0.869","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016640","16.935","0.003","17.652","0.003","16.044","0.003","90","","104.882","0.002","90","","4635.3","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H96 F12 Ir4 N4 O24 S4 -","- C84 H88 F12 Ir4 N4 O24 S4 -","- C168 H176 F24 Ir8 N8 O48 S8 -","2","0.5","","Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin","Discrete half-sandwich Ir, Rh-based organometallic molecular boxes: synthesis, characterization, and their properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10370","10375","10.1039/c1dt10506j","","","0.71073","MoKα","","0.081","0.0547","","","0.1428","0.1603","","","","","","0.999","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016641","9.8755","0.0013","10.5099","0.0014","24.57","0.003","81.129","0.002","84.708","0.002","67.205","0.002","2321.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cu3 N8 O15 P4 -","- C44 H40 Cu3 N8 O15 P4 -","- C88 H80 Cu6 N16 O30 P8 -","2","1","","Ma, Kui-Rong; Ma, Feng; Zhu, Yu-Lan; Yu, Lin-Juan; Zhao, Xiao-Min; Yang, Yin; Duan, Wei-He","N-heterocyclic amine-directed structures and properties of two Cu(ii) diphosphonates.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9774","9781","10.1039/c1dt10528k","","","0.71073","MoKα","","0.1004","0.0586","","","0.1598","0.189","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016642","9.0321","0.001","10.0674","0.0011","15.5816","0.0017","103.929","0.001","91.157","0.001","99.574","0.001","1353.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Cu8 N4 O38 P8 -","- C28 H52 Cu8 N4 O38 P8 -","- C28 H52 Cu8 N4 O38 P8 -","1","0.5","","Ma, Kui-Rong; Ma, Feng; Zhu, Yu-Lan; Yu, Lin-Juan; Zhao, Xiao-Min; Yang, Yin; Duan, Wei-He","N-heterocyclic amine-directed structures and properties of two Cu(ii) diphosphonates.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9774","9781","10.1039/c1dt10528k","","","0.71073","MoKα","","0.0432","0.0303","","","0.0898","0.11","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016643","12.3828","0.0002","8.3185","0.0002","9.8806","0.0003","90","","90","","90","","1017.76","0.04","150","1","150","1","","","","","","","synthesized by the authors","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C24 H64 Br8 N8 O4 -","4","1","","Drahoš, Bohuslav; Pniok, Miroslav; Havlíčková, Jana; Kotek, Jan; Císařová, Ivana; Hermann, Petr; Lukeš, Ivan; Tóth, Eva","Mn(2+) complexes of 1-oxa-4,7-diazacyclononane based ligands with acetic, phosphonic and phosphinic acid pendant arms: Stability and relaxation studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10131","10146","10.1039/c1dt10543d","","","0.71073","MoKα","","0.0241","0.0216","","","0.0456","0.0463","","","","","","1.055","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016644","10.2854","0.0001","19.641","0.0002","25.1887","0.0002","87.6708","0.0004","84.8707","0.0005","82.438","0.0005","5021.91","0.08","150","1","150","1","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C20 H35 N3 O7 P2 -","- C20 H35 N3 O7 P2 -","- C160 H280 N24 O56 P16 -","8","4","","Drahoš, Bohuslav; Pniok, Miroslav; Havlíčková, Jana; Kotek, Jan; Císařová, Ivana; Hermann, Petr; Lukeš, Ivan; Tóth, Eva","Mn(2+) complexes of 1-oxa-4,7-diazacyclononane based ligands with acetic, phosphonic and phosphinic acid pendant arms: Stability and relaxation studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10131","10146","10.1039/c1dt10543d","","","0.71073","MoKα","","0.0778","0.0635","","","0.152","0.1593","","","","","","1.14","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016645","7.8641","0.001","9.9409","0.0014","15.085","0.002","80.556","0.005","87.468","0.005","76.778","0.004","1132.4","0.3","150","1","150","1","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C40 H56 Mn2 N4 O12 P4 -","- C40 H56 Mn2 N4 O12 P4 -","- C40 H56 Mn2 N4 O12 P4 -","1","0.5","","Drahoš, Bohuslav; Pniok, Miroslav; Havlíčková, Jana; Kotek, Jan; Císařová, Ivana; Hermann, Petr; Lukeš, Ivan; Tóth, Eva","Mn(2+) complexes of 1-oxa-4,7-diazacyclononane based ligands with acetic, phosphonic and phosphinic acid pendant arms: Stability and relaxation studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10131","10146","10.1039/c1dt10543d","","","0.71073","MoKα","","0.0449","0.0383","","","0.0832","0.0856","","","","","","1.212","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016646","38.578","0.002","15.6651","0.0011","30.6281","0.0019","90","","95.483","0.006","90","","18425","2","100","2","100","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C142 H141 Cl2 Co N6 Na2 O37.5 P3 S8 -","- C142 H122 Cl2 Co N6 Na O37.5 P3 S8 -","- C568 H488 Cl8 Co4 N24 Na4 O150 P12 S32 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Skelton, Brian W.; Raston, Colin L.","Site specific Co(iii) sarcophagine binding in multi-component phosphonium and p-sulfonatocalix[4]arene systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10337","10344","10.1039/c1dt10550g","","","1.54178","CuKα","","0.2324","0.1191","","","0.2998","0.3355","","","","","","0.742","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016647","18.2882","0.0007","20.4581","0.0007","25.7583","0.0009","67.104","0.003","77.778","0.003","84.702","0.003","8676.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C336 H373 Co4 N28 O92 P7 S16 -","- C336 H372.04 Co4 N28 O92 P7 S16 -","- C336 H372.04 Co4 N28 O92 P7 S16 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Skelton, Brian W.; Raston, Colin L.","Site specific Co(iii) sarcophagine binding in multi-component phosphonium and p-sulfonatocalix[4]arene systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10337","10344","10.1039/c1dt10550g","","","0.71073","MoKα","","0.2503","0.1035","","","0.2597","0.2919","","","","","","1.004","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016648","25.9289","0.0005","14.8497","0.0003","27.6134","0.0006","90","","96.836","0.002","90","","10556.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H115 Cl2 Co N6 O27 P2 S4 -","- C92 H93 Cl2 Co N6 O27 P2 S4 -","- C368 H372 Cl8 Co4 N24 O108 P8 S16 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Skelton, Brian W.; Raston, Colin L.","Site specific Co(iii) sarcophagine binding in multi-component phosphonium and p-sulfonatocalix[4]arene systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10337","10344","10.1039/c1dt10550g","","","0.71073","MoKα","","0.1892","0.1172","","","0.3335","0.3626","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016649","18.643","0.003","18.643","0.003","24.945","0.005","90","","90","","120","","7508","2","123","2","123","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C135 H111 Cd6 N24 Na2 O30 -","- C135 H111 Cd6 N24 Na2 O30 -","- C270 H222 Cd12 N48 Na4 O60 -","2","0.166667","","Li, Yun-Wu; Wang, Li-Fu; He, Kun-Huan; Chen, Qiang; Bu, Xian-He","A sixfold interpenetrated microporous MOF constructed from heterometallic tetranuclear cluster exhibiting selective gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10319","10321","10.1039/c1dt10554j","","","0.71073","MoKα","","0.0648","0.0593","","","0.1537","0.1581","","","","","","1.108","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016650","10.3418","0.0017","10.804","0.002","11.1072","0.0016","109.235","0.002","103.221","0.003","99.333","0.002","1102","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Cl N8 O7 Pt -","- C14 H21 Cl N8 O7 Pt -","- C28 H42 Cl2 N16 O14 Pt2 -","2","1","","Wu, Shengde; Wang, Xiaoyong; Zhu, Chengcheng; Song, Yajie; Wang, Jing; Li, Yizhi; Guo, Zijian","Monofunctional platinum complexes containing a 4-nitrobenzo-2-oxa-1,3-diazole fluorophore: Distribution in tumour cells.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10376","10382","10.1039/c1dt10555h","","","0.71073","MoKα","","0.0556","0.0459","","","0.0998","0.1014","","","","","","1.047","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016651","10.9437","0.0005","13.5615","0.0007","23.7495","0.0008","90","","100.253","0.004","90","","3468.4","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C76 H60 Cl2 F12 N2 O P4 Pt S -","- C76 H60 Cl2 F12 N2 O P4 Pt S -","- C152 H120 Cl4 F24 N4 O2 P8 Pt2 S2 -","2","0.5","","Martínez-Salvador, Sonia; Alonso, Pablo J.; Forniés, Juan; Martín, Antonio; Menjón, Babil","Efficient and stereoselective syntheses of isomeric trifluoromethyl-platinum(iv) chlorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10440","10447","10.1039/c1dt10557d","","","0.71073","MoKα","","0.0764","0.0479","","","0.116","0.1234","","","","","","1.018","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016652","19.7396","0.0002","13.0013","0.0002","40.0065","0.0006","90","","91.152","0.001","90","","10265.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54.75 H47.5 Cl3 F9 O1.25 P2 Pt -","- C54.75 H46 Cl3 F9 O1.25 P2 Pt -","- C438 H368 Cl24 F72 O10 P16 Pt8 -","8","2","","Martínez-Salvador, Sonia; Alonso, Pablo J.; Forniés, Juan; Martín, Antonio; Menjón, Babil","Efficient and stereoselective syntheses of isomeric trifluoromethyl-platinum(iv) chlorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10440","10447","10.1039/c1dt10557d","","","0.71073","MoKα","","0.0951","0.0554","","","0.1127","0.1209","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016653","16.4722","0.0003","19.95","0.0003","24.3205","0.0005","113.165","0.002","109.539","0.002","90.92","0.001","6823.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.42 H72.83 Cl3.83 F9 N2 Pt -","- C35.4167 H58.1667 Cl3.83333 F9 N2 Pt -","- C212.5 H349 Cl23 F54 N12 Pt6 -","6","3","","Martínez-Salvador, Sonia; Alonso, Pablo J.; Forniés, Juan; Martín, Antonio; Menjón, Babil","Efficient and stereoselective syntheses of isomeric trifluoromethyl-platinum(iv) chlorides.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10440","10447","10.1039/c1dt10557d","","","0.71073","MoKα","","0.0832","0.0444","","","0.0881","0.0932","","","","","","1","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016654","17.5322","0.0002","23.5016","0.0003","23.7195","0.0004","90","","94.9185","0.0013","90","","9737.3","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 B F4 P8 Ru -","- C50 H45 B F4 P8 Ru -","- C400 H360 B8 F32 P64 Ru8 -","8","2","","Mirabello, Vincenzo; Caporali, Maria; Gallo, Vito; Gonsalvi, Luca; Ienco, Andrea; Latronico, Mario; Mastrorilli, Piero; Peruzzini, Maurizio","Dynamic behaviour of Ru and Ru-Pt complexes containing tetrahedro-P(4) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9668","9671","10.1039/c1dt10572h","","x-ray","1.54184","CuKα","","0.0962","0.0574","","","0.1292","0.1479","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016655","9.729","0.002","21.316","0.005","16.744","0.004","90","","97.9","0.02","90","","3439.5","1.4","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H48 Li4 N4 Si4 -","- C26 H48 Li4 N4 Si4 -","- C104 H192 Li16 N16 Si16 -","4","1","","Caro, Catherine F.; Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Pierssens, Luc J.-M.","Crystalline metal (Li, Mg, Ca, Sr, Ba, Sn, Pb) complexes of the new chelating N,N'-dianionic [1,2-N(R)C(6)H(4)(CH(2)NR)](2-) ligand (R = SiMe(3), CH(2)Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9821","9830","10.1039/c1dt10574d","","","0.71073","MoKα","","0.0978","0.0562","","","0.1306","0.1511","","","","","","0.998","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016656","19.787","0.007","9.808","0.003","21.951","0.009","90","0.03","99.7","0.03","90","0.02","4199","3","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 Li4 N4 O2 Si4 -","- C34 H64 Li4 N4 O2 Si4 -","- C136 H256 Li16 N16 O8 Si16 -","4","1","","Caro, Catherine F.; Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Pierssens, Luc J.-M.","Crystalline metal (Li, Mg, Ca, Sr, Ba, Sn, Pb) complexes of the new chelating N,N'-dianionic [1,2-N(R)C(6)H(4)(CH(2)NR)](2-) ligand (R = SiMe(3), CH(2)Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9821","9830","10.1039/c1dt10574d","","","0.7107","MoKα","","0.0855","0.0556","","","0.1322","0.15","","","","","","1.026","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016657","10.38","0.005","10.726","0.003","11.752","0.004","77.64","0.02","66.68","0.03","82.2","0.03","1171.8","0.8","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C41 H72 Mg2 N4 O2 Si4 -","- C41 H64 Mg2 N4 O2 Si4 -","- C41 H64 Mg2 N4 O2 Si4 -","1","0.5","","Caro, Catherine F.; Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Pierssens, Luc J.-M.","Crystalline metal (Li, Mg, Ca, Sr, Ba, Sn, Pb) complexes of the new chelating N,N'-dianionic [1,2-N(R)C(6)H(4)(CH(2)NR)](2-) ligand (R = SiMe(3), CH(2)Bu(t)).","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9821","9830","10.1039/c1dt10574d","","","0.7107","MoKα","","0.0586","0.047","","","0.1229","0.1305","","","","","","1.058","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016658","11.6503","0.0002","14.6989","0.0004","23.1578","0.0005","90","","90","","90","","3965.69","0.15","111","2","111","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H66 Ga2 Mo P4 -","- C32 H66 Ga2 Mo P4 -","- C128 H264 Ga8 Mo4 P16 -","4","1","","Molon, Mariusz; Bollermann, Timo; Gemel, Christian; Schaumann, Julian; Fischer, Roland A.","Mixed phosphine and group-13 metal ligator complexes [(PR(3))(a)M(ECp*)(b)] (M = Mo, Ni; E = Ga, Al; R = C(6)H(5), cyclo-C(6)H(11), CH(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10769","10774","10.1039/c1dt10583c","","","0.71073","MoKα","","0.041","0.0271","","","0.06","0.0635","","","","","","0.99","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7016659","16.5596","0.001","15.2068","0.0008","23.3095","0.0015","90","","101.783","0.006","90","","5746.1","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Ga2 Ni P2 -","- C56 H60 Ga2 Ni P2 -","- C224 H240 Ga8 Ni4 P8 -","4","1","","Molon, Mariusz; Bollermann, Timo; Gemel, Christian; Schaumann, Julian; Fischer, Roland A.","Mixed phosphine and group-13 metal ligator complexes [(PR(3))(a)M(ECp*)(b)] (M = Mo, Ni; E = Ga, Al; R = C(6)H(5), cyclo-C(6)H(11), CH(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10769","10774","10.1039/c1dt10583c","","","0.71073","MoKα","","0.1575","0.0844","","","0.1697","0.1975","","","","","","0.919","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016660","11.5183","0.0005","21.7943","0.0009","22.2311","0.0008","117.737","0.004","92.013","0.003","94.562","0.003","4907.3","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Al2 Ni P2 -","- C56 H60 Al2 Ni P2 -","- C224 H240 Al8 Ni4 P8 -","4","2","","Molon, Mariusz; Bollermann, Timo; Gemel, Christian; Schaumann, Julian; Fischer, Roland A.","Mixed phosphine and group-13 metal ligator complexes [(PR(3))(a)M(ECp*)(b)] (M = Mo, Ni; E = Ga, Al; R = C(6)H(5), cyclo-C(6)H(11), CH(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10769","10774","10.1039/c1dt10583c","","","0.71073","MoKα","","0.0987","0.054","","","0.0938","0.1065","","","","","","0.97","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016661","11.9834","0.0007","16.4634","0.0011","17.905","0.0012","87.267","0.006","73.27","0.006","85.217","0.005","3370.1","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H96 Ga2 Ni P2 -","- C56 H96 Ga2 Ni P2 -","- C112 H192 Ga4 Ni2 P4 -","2","1","","Molon, Mariusz; Bollermann, Timo; Gemel, Christian; Schaumann, Julian; Fischer, Roland A.","Mixed phosphine and group-13 metal ligator complexes [(PR(3))(a)M(ECp*)(b)] (M = Mo, Ni; E = Ga, Al; R = C(6)H(5), cyclo-C(6)H(11), CH(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10769","10774","10.1039/c1dt10583c","","","0.71073","MoKα","","0.1057","0.0621","","","0.1377","0.1531","","","","","","0.982","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016662","20.8362","0.0013","10.2222","0.0003","16.8438","0.0018","90","","121.849","0.01","90","","3047.4","0.5","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H48 Ga2 Ni P2 -","- C26 H48 Ga2 Ni P2 -","- C104 H192 Ga8 Ni4 P8 -","4","0.5","","Molon, Mariusz; Bollermann, Timo; Gemel, Christian; Schaumann, Julian; Fischer, Roland A.","Mixed phosphine and group-13 metal ligator complexes [(PR(3))(a)M(ECp*)(b)] (M = Mo, Ni; E = Ga, Al; R = C(6)H(5), cyclo-C(6)H(11), CH(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10769","10774","10.1039/c1dt10583c","","","0.71073","MoKα","","0.039","0.0314","","","0.0725","0.0764","","","","","","1.066","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7016663","26.9627","0.0003","26.9627","0.0003","26.9627","0.0003","90","","90","","90","","19601.5","0.4","105","2","105","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C48 H75 Ga3 Ni P -","- C48 H75 Ga3 Ni P -","- C768 H1200 Ga48 Ni16 P16 -","16","0.333333","","Molon, Mariusz; Bollermann, Timo; Gemel, Christian; Schaumann, Julian; Fischer, Roland A.","Mixed phosphine and group-13 metal ligator complexes [(PR(3))(a)M(ECp*)(b)] (M = Mo, Ni; E = Ga, Al; R = C(6)H(5), cyclo-C(6)H(11), CH(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10769","10774","10.1039/c1dt10583c","","","0.71073","MoKα","","0.0505","0.039","","","0.0744","0.0784","","","","","","1.147","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016664","9.782","0.009","10.595","0.01","13.653","0.013","90","","93.064","0.016","90","","1413","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B Cr N O3 -","- C12 H16 B Cr N O3 -","- C48 H64 B4 Cr4 N4 O12 -","4","1","","Bera, Barun; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","A homobimetallic complex of chromium(0) with a σ-borane component.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10592","10597","10.1039/c1dt10584a","","","0.71073","MoKα","","0.071","0.0446","","","0.0914","0.1022","","","","","","1.062","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016665","9.7455","0.0014","12.2564","0.0018","17.324","0.003","90","","90","","90","","2069.3","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 B Cr2 N O8 -","- C17 H16 B Cr2 N O8 -","- C68 H64 B4 Cr8 N4 O32 -","4","1","","Bera, Barun; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","A homobimetallic complex of chromium(0) with a σ-borane component.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10592","10597","10.1039/c1dt10584a","","","0.71073","MoKα","","0.0745","0.0408","","","0.0741","0.0872","","","","","","1.037","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016666","15.7994","0.0008","10.6355","0.0004","15.0356","0.0008","90","","114.114","0.006","90","","2306","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 N12 O6 Pd2 Pt -","- C12 H30 N12 O6 Pd2 Pt -","- C48 H120 N48 O24 Pd8 Pt4 -","4","1","","Brandi-Blanco, Pilar; Miguel, Pablo J Sanz; Lippert, Bernhard","Coordination of two different metal ions as reason for N-chirality in μ-amide complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10316","10318","10.1039/c1dt10585j","","","0.71073","MoKα","","0.0487","0.0267","","","0.0324","0.0337","","","","","","0.827","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016667","20.0711","0.001","18.8743","0.001","14.5114","0.0008","90","","94.729","0.005","90","","5478.6","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 N12 O9 Pd2 Pt -","- C12 H30 N12 O9 Pd2 Pt -","- C96 H240 N96 O72 Pd16 Pt8 -","8","1","","Brandi-Blanco, Pilar; Miguel, Pablo J Sanz; Lippert, Bernhard","Coordination of two different metal ions as reason for N-chirality in μ-amide complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10316","10318","10.1039/c1dt10585j","","","0.71073","MoKα","","0.0603","0.0408","","","0.0827","0.0862","","","","","","0.992","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016668","23.2096","0.0005","15.9822","0.0004","11.9687","0.0002","90","","117.276","0.0012","90","","3946.02","0.15","150","1","150","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H35 Cl3 N4 Ni O7 -","- C40 H35 Cl3 N4 Ni O7 -","- C160 H140 Cl12 N16 Ni4 O28 -","4","1","","Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M.","Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10609","10620","10.1039/c1dt10587f","","","0.71073","MoKα","","0.0683","0.0539","","","0.132","0.1445","","","","","","1.066","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016669","16.0204","0.0003","19.2924","0.0006","25.0918","0.0007","90","","90","","90","","7755.2","0.4","150","1","150","1","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C43 H43 Cl N4 Ni O7 -","- C43 H43 Cl N4 Ni O7 -","- C344 H344 Cl8 N32 Ni8 O56 -","8","1","","Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M.","Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10609","10620","10.1039/c1dt10587f","","","0.71073","MoKα","","0.1242","0.0552","","","0.1015","0.1275","","","","","","1.015","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016670","9.8884","0.0002","10.8891","0.0002","28.1201","0.0004","90","","90","","90","","3027.85","0.09","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N5 Ni O9 -","- C27 H29 Cl2 N5 Ni O9 -","- C108 H116 Cl8 N20 Ni4 O36 -","4","1","","Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M.","Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10609","10620","10.1039/c1dt10587f","","","0.71073","MoKα","","0.1016","0.0654","","","0.1377","0.1667","","","","","","1.04","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016671","34.473","0.0005","34.473","0.0005","13.5221","0.0003","90","","90","","90","","16069.5","0.5","150","1","150","1","","","","","","","","6","I -4","I -4","82","","","","- C46 H38.5 Cl Co N4.5 O6 -","- C46 H38.5 Cl Co N4.5 O6 -","- C736 H616 Cl16 Co16 N72 O96 -","16","2","","Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M.","Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10609","10620","10.1039/c1dt10587f","","","0.71073","MoKα","","0.1206","0.0638","","","0.1236","0.1558","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016672","11.0736","0.0002","24.5657","0.0005","12.1864","0.0001","90","","100.81","0.001","90","","3256.25","0.09","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Cl Co N4 O6 -","- C37 H31 Cl Co N4 O6 -","- C148 H124 Cl4 Co4 N16 O24 -","4","1","","Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M.","Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10609","10620","10.1039/c1dt10587f","","","0.71073","MoKα","","0.0675","0.0385","","","0.0811","0.0924","","","","","","1.023","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016673","12.28","0.0003","17.6405","0.0004","20.8359","0.0005","90","","92.794","0.002","90","","4508.22","0.19","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H46.5 Cl2 Fe N9.5 O8 -","- C40 H46.5 Cl2 Fe N9.5 O8 -","- C160 H186 Cl8 Fe4 N38 O32 -","4","2","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","1.54184","CuKα","","0.0517","0.047","","","0.1275","0.1337","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016674","12.0388","0.0004","17.7032","0.0006","25.8524","0.0006","90","","90","","90","","5509.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H66.75 Cl2 Fe N10.25 O8 -","- C50.5 H63 Cl2 Fe N10.25 O8 -","- C202 H252 Cl8 Fe4 N41 O32 -","4","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.1504","0.058","","","0.1278","0.1424","","","","","","0.814","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016675","13.9695","0.0002","17.3214","0.0003","19.2264","0.0003","90","","90","","90","","4652.24","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 Cl2 Mn N8 O8 -","- C46 H42 Cl2 Mn N8 O8 -","- C184 H168 Cl8 Mn4 N32 O32 -","4","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.0759","0.0591","","","0.122","0.1292","","","","","","1.078","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016676","12.12947","0.00012","13.37998","0.00012","15.44345","0.00015","90","","103.38","0.001","90","","2438.32","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H53 Cl2 N7 O10 Zn -","- C48 H53 Cl2 N7 O10 Zn -","- C96 H106 Cl4 N14 O20 Zn2 -","2","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","1.54184","CuKα","","0.0495","0.0488","","","0.1312","0.1323","","","","","","1.046","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016677","12.1724","0.0003","13.3579","0.0002","15.4379","0.0003","90","","103.831","0.001","90","","2437.38","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H53 Cl2 N7 Ni O10 -","- C48 H53 Cl2 N7 Ni O10 -","- C96 H106 Cl4 N14 Ni2 O20 -","2","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.0637","0.0515","","","0.1258","0.1329","","","","","","1.055","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016678","11.665","0.0005","13.5956","0.0005","15.3936","0.0007","90","","95.949","0.002","90","","2428.16","0.18","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H50 Co F12 N6 O2 P2 -","- C44 H42 Co F12 N6 O2 P2 -","- C88 H84 Co2 F24 N12 O4 P4 -","2","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.1152","0.0669","","","0.1589","0.1828","","","","","","0.986","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016679","11.978","","11.769","","18.739","","90","","92.09","","90","","2639.86","","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H51 Co F18 N9 P3 -","- C48 H48 Co F18 N9 P3 -","- C96 H96 Co2 F36 N18 P6 -","2","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.0966","0.0669","","","0.1221","0.1382","","","","","","1.17","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016680","13.287","0.0004","18.8293","0.0007","20.0225","0.0008","90","","90","","90","","5009.3","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H54 Cl2 Fe N8 O11 -","- C49 H48 Cl2 Fe N8 O11 -","- C196 H192 Cl8 Fe4 N32 O44 -","4","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.13","0.0869","","","0.1718","0.2018","","","","","","1.118","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016681","37.978","0.005","8.0037","0.001","14.7034","0.0018","90","","101.149","0.002","90","","4385","1","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Cl5 Co2 N8 Na O18 -","- C34 H46 Cl5 Co2 N8 Na O18 -","- C136 H184 Cl20 Co8 N32 Na4 O72 -","4","0.5","","Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J.","Switching on oxygen activation by cobalt complexes of pentadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10698","10707","10.1039/c1dt10594a","","","0.71073","MoKα","","0.0496","0.0333","","","0.0736","0.079","","","","","","1.021","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016682","16.36","0.0012","17.821","0.001","18.0306","0.0013","90","","90","","90","","5256.8","0.6","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H29 Cl2 Co N5 O4 -","- C27 H29 Cl2 Co N5 O4 -","- C216 H232 Cl16 Co8 N40 O32 -","8","1","","Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J.","Switching on oxygen activation by cobalt complexes of pentadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10698","10707","10.1039/c1dt10594a","","","0.71073","MoKα","","0.0638","0.0333","","","0.0686","0.0774","","","","","","1.023","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016683","8.6824","0.0005","11.6313","0.0007","15.8043","0.0009","76.45","0.003","87.333","0.003","69.1","0.002","1448.32","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31.7 Cl2 Co N5 O10.15 -","- C27 H31.7 Cl2 Co N5 O10.15 -","- C54 H63.4 Cl4 Co2 N10 O20.3 -","2","1","","Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J.","Switching on oxygen activation by cobalt complexes of pentadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10698","10707","10.1039/c1dt10594a","","","0.71073","MoKα","","0.0326","0.0279","","","0.0678","0.0704","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016684","10.1794","0.0003","17.2327","0.0006","11.5761","0.0004","90","","105.851","0.001","90","","1953.45","0.11","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Cl Co N4 O8 -","- C17 H20 Cl Co N4 O8 -","- C68 H80 Cl4 Co4 N16 O32 -","4","1","","Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J.","Switching on oxygen activation by cobalt complexes of pentadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10698","10707","10.1039/c1dt10594a","","","0.71073","MoKα","","0.0432","0.039","","","0.0953","0.0976","","","","","","1.091","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016685","17.515","0.0015","22.3432","0.0018","13.4944","0.0008","90","","101.22","0.003","90","","5180","0.7","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 Co N5 O10.5 -","- C22 H25 Cl2 Co N5 O10.5 -","- C176 H200 Cl16 Co8 N40 O84 -","8","2","","Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J.","Switching on oxygen activation by cobalt complexes of pentadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10698","10707","10.1039/c1dt10594a","","","0.71073","MoKα","","0.1125","0.0541","","","0.1231","0.1408","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016686","10.414","0.003","13.565","0.003","15.401","0.004","90","","90","","90","","2175.6","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O -","- C28 H27 N3 O -","- C112 H108 N12 O4 -","4","1","","Villaverde, Gonzalo; Arnanz, Avelina; Iglesias, Marta; Monge, Angeles; Sánchez, Félix; Snejko, Natalia","Development of homogeneous and heterogenized rhodium(i) and palladium(ii) complexes with ligands based on a chiral proton sponge building block and their application as catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9589","9600","10.1039/c1dt10597c","","","0.71073","MoKα","","0.0475","0.0376","","","0.0812","0.0846","","","","","","1.148","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016687","9.8047","0.0008","8.8134","0.0008","14.007","0.0012","90","","91.363","0.001","90","","1210.04","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O -","- C28 H34 N2 O -","- C56 H68 N4 O2 -","2","1","","Villaverde, Gonzalo; Arnanz, Avelina; Iglesias, Marta; Monge, Angeles; Sánchez, Félix; Snejko, Natalia","Development of homogeneous and heterogenized rhodium(i) and palladium(ii) complexes with ligands based on a chiral proton sponge building block and their application as catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9589","9600","10.1039/c1dt10597c","","","0.71073","MoKα","","0.1082","0.0636","","","0.1125","0.1281","","","","","","1.074","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016688","7.365","0.002","10.492","0.003","14.101","0.004","83.855","0.004","88.517","0.003","77.59","0.003","1058.1","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","HNP2CoCl2","","","- C16 H37 Cl2 Co N P2 -","- C16 H37 Cl2 Co N P2 -","- C32 H74 Cl4 Co2 N2 P4 -","2","1","","Rozenel, Sergio S.; Kerr, John B.; Arnold, John","Metal complexes of Co, Ni and Cu with the pincer ligand HN(CH(2)CH(2)P(i)Pr(2))(2): preparation, characterization and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10397","10405","10.1039/c1dt10599j","","","0.71073","MoKα","","0.0561","0.0359","","","0.0778","0.087","","","","","","1.032","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016689","10.9127","0.0017","14.507","0.002","14.876","0.002","88.971","0.002","76.82","0.002","70.614","0.002","2158.7","0.5","127","2","127","2","","","","","","","","6","P -1","-P 1","2","hb_01_37_01","","","- C16 H37 Br Cu N P2 -","- C16 H37 Br Cu N P2 -","- C64 H148 Br4 Cu4 N4 P8 -","4","2","","Rozenel, Sergio S.; Kerr, John B.; Arnold, John","Metal complexes of Co, Ni and Cu with the pincer ligand HN(CH(2)CH(2)P(i)Pr(2))(2): preparation, characterization and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10397","10405","10.1039/c1dt10599j","","","0.71073","MoKα","","0.0263","0.0211","","","0.0507","0.0527","","","","","","1.037","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016690","7.6375","0.0013","13.287","0.002","21.376","0.004","80.639","0.002","79.962","0.002","78.139","0.002","2072.2","0.6","128","2","128","2","","","","","","","","6","P -1","-P 1","2","NP2NiBr","","","- C16 H36 Br N Ni P2 -","- C16 H36 Br N Ni P2 -","- C64 H144 Br4 N4 Ni4 P8 -","4","2","","Rozenel, Sergio S.; Kerr, John B.; Arnold, John","Metal complexes of Co, Ni and Cu with the pincer ligand HN(CH(2)CH(2)P(i)Pr(2))(2): preparation, characterization and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10397","10405","10.1039/c1dt10599j","","","0.71073","MoKα","","0.0514","0.0307","","","0.0639","0.0709","","","","","","1.021","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016691","15.647","","12.136","","14.337","","90","","90","","90","","2722.48","","124","2","124","2","","","","","","","","7","P c a 21","P 2c -2ac","29","(HNP2NiNCCH3)(BF4)2","","","- C18 H40 B2 F8 N2 Ni P2 -","- C18 H40 B2 F8 N2 Ni P2 -","- C72 H160 B8 F32 N8 Ni4 P8 -","4","1","","Rozenel, Sergio S.; Kerr, John B.; Arnold, John","Metal complexes of Co, Ni and Cu with the pincer ligand HN(CH(2)CH(2)P(i)Pr(2))(2): preparation, characterization and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10397","10405","10.1039/c1dt10599j","","","0.71073","MoKα","","0.029","0.0266","","","0.0699","0.0716","","","","","","1.049","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016692","15.302","0.008","16.458","0.008","13.709","0.006","90","","107.915","0.008","90","","3285","3","151","2","151","2","","","","","","","","7","C 1 c 1","C -2yc","9","(HNP2NiN(H)C(CH3)NC5H10)(BF4)2","","","- C23 H51 B2 F8 N3 Ni P2 -","- C23 H51 B2 F8 N3 Ni P2 -","- C92 H204 B8 F32 N12 Ni4 P8 -","4","1","","Rozenel, Sergio S.; Kerr, John B.; Arnold, John","Metal complexes of Co, Ni and Cu with the pincer ligand HN(CH(2)CH(2)P(i)Pr(2))(2): preparation, characterization and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10397","10405","10.1039/c1dt10599j","","","0.71073","MoKα","","0.0506","0.0348","","","0.0637","0.0694","","","","","","1.013","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016693","9.4757","0.0008","9.6051","0.0006","15.9506","0.0014","103.107","0.006","94.293","0.006","118.08","0.008","1219.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cr2 N2 O10 -","- C22 H20 Cr2 N2 O10 -","- C44 H40 Cr4 N4 O20 -","2","1","","Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10503","10512","10.1039/c1dt10606f","","","0.71073","MoKα","","0.0378","0.0257","","","0.0596","0.0613","","","","","","0.924","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016694","9.5233","0.0004","9.7656","0.0004","15.9927","0.0006","102.934","0.004","94.073","0.004","118.147","0.004","1250.88","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O10 W2 -","- C22 H20 N2 O10 W2 -","- C44 H40 N4 O20 W4 -","2","1","","Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10503","10512","10.1039/c1dt10606f","","","0.71073","MoKα","","0.0284","0.0166","","","0.0231","0.0236","","","","","","0.824","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016695","17.3697","0.0006","9.725","0.0002","22.3104","0.0006","90","","95.454","0.002","90","","3751.62","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 Cl4 N2 Ru2 -","- C38 H54 Cl4 N2 Ru2 -","- C152 H216 Cl16 N8 Ru8 -","4","0.5","","Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10503","10512","10.1039/c1dt10606f","","","0.71073","MoKα","","0.0479","0.0227","","","0.0411","0.0429","","","","","","0.785","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016696","14.3361","0.0002","23.2191","0.0002","17.3423","0.0002","90","","107.837","0.002","90","","5495.27","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H53 Cl11 N2 P2 Ru -","- C51 H53 Cl11 N2 P2 Ru -","- C204 H212 Cl44 N8 P8 Ru4 -","4","1","","Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10503","10512","10.1039/c1dt10606f","","","1.54184","CuKα","","0.0244","0.0236","","","0.0597","0.0601","","","","","","1.045","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016697","14.3816","0.0002","26.5861","0.0002","18.6904","0.0002","90","","97.387","0.002","90","","7086.98","0.14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H94 B Cl N2 O3 P2 Ru -","- C72 H70 B Cl N2 P2 Ru -","- C288 H280 B4 Cl4 N8 P8 Ru4 -","4","1","","Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10503","10512","10.1039/c1dt10606f","","","1.54184","CuKα","","0.0344","0.0306","","","0.0832","0.0846","","","","","","1.088","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016698","11.666","0.0002","26.9068","0.0006","26.0151","0.0006","90","","97.058","0.002","90","","8104.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100.99 H97.49 B2 N4.49 P2 Ru -","- C100.99 H97.485 B2 N4.495 P2 Ru -","- C403.96 H389.94 B8 N17.98 P8 Ru4 -","4","1","","Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10503","10512","10.1039/c1dt10606f","","","1.54184","CuKα","","0.0661","0.0397","","","0.083","0.0894","","","","","","0.886","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016699","9.5899","0.0008","15.9641","0.0018","17.39","0.002","80.429","0.009","76.303","0.008","86.48","0.008","2549.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H62 Cl4 N11 P Pd Ru -","- C42 H53 Cl4 N8 P Pd Ru -","- C84 H106 Cl8 N16 P2 Pd2 Ru2 -","2","1","","Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10503","10512","10.1039/c1dt10606f","","","1.54184","CuKα","","0.0756","0.057","","","0.1478","0.1557","","","","","","1.027","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016700","17.1006","0.0004","18.8239","0.0004","21.009","0.0006","94.226","0.002","110.213","0.002","98.865","0.002","6211.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H84 Cl16 N6 P2 Pd2 Ru2 -","- C68 H84 Cl16 N6 P2 Pd2 Ru2 -","- C204 H252 Cl48 N18 P6 Pd6 Ru6 -","3","1.5","","Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10503","10512","10.1039/c1dt10606f","","","0.71073","MoKα","","0.0522","0.0314","","","0.0678","0.0702","","","","","","0.892","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016701","7.584","0.0001","9.8657","0.0002","12.4253","0.0002","96.8789","0.0008","102.595","0.0007","98.2379","0.0008","886.9","0.03","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13.37 B F4 Mo O2.185 S3 -","- C14 H13.37 B F4 Mo O2.185 S3 -","- C28 H26.74 B2 F8 Mo2 O4.37 S6 -","2","1","","Gamelas, Carla A.; Bandeira, Nuno A. G.; Pereira, Cláudia C L; Calhorda, Maria José; Herdtweck, Eberhardt; Machuqueiro, Miguel; Romão, Carlos C; Veiros, Luís F","Indenyl ring slippage in crown thioether complexes [IndMo(CO)(2)L](+) and C-S activation of trithiacyclononane: Experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10513","10525","10.1039/c1dt10607d","","","0.71073","MoKα","","0.0242","0.0202","","","0.0414","0.0429","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016702","8.0141","0.0001","8.54","0.0001","25.5652","0.0003","90","","96.1375","0.0003","90","","1739.66","0.04","173","1","173","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 B F4 Mo O2 S3 -","- C13 H17 B F4 Mo O2 S3 -","- C52 H68 B4 F16 Mo4 O8 S12 -","4","1","","Gamelas, Carla A.; Bandeira, Nuno A. G.; Pereira, Cláudia C L; Calhorda, Maria José; Herdtweck, Eberhardt; Machuqueiro, Miguel; Romão, Carlos C; Veiros, Luís F","Indenyl ring slippage in crown thioether complexes [IndMo(CO)(2)L](+) and C-S activation of trithiacyclononane: Experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10513","10525","10.1039/c1dt10607d","","","0.71073","MoKα","","0.021","0.0192","","","0.0448","0.0456","","","","","","1.036","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016703","9.542","0.002","17.268","0.002","10.837","0.002","90","","94.07","0.01","90","","1781.1","0.5","293","1","293","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 B F4 Mo O S3 -","- C14 H15 B F4 Mo O S3 -","- C56 H60 B4 F16 Mo4 O4 S12 -","4","1","","Gamelas, Carla A.; Bandeira, Nuno A. G.; Pereira, Cláudia C L; Calhorda, Maria José; Herdtweck, Eberhardt; Machuqueiro, Miguel; Romão, Carlos C; Veiros, Luís F","Indenyl ring slippage in crown thioether complexes [IndMo(CO)(2)L](+) and C-S activation of trithiacyclononane: Experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10513","10525","10.1039/c1dt10607d","","","0.71073","MoKα","","0.0489","0.0401","","","0.1093","0.1141","","","","","","1.078","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016704","29.5071","0.001","27.3584","0.0008","19.4323","0.0006","90","","103.82","0.003","90","","15232.9","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1.18H2O.18MeOH","","","- C102 H182 Cl2 Dy8 N24 O66 -","- C84 H72 Cl2 Dy8 N24 O32 -","- C336 H288 Cl8 Dy32 N96 O128 -","4","0.5","","Miao, Yan-Li; Liu, Jun-Liang; Li, Jin-Yan; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Two novel Dy(8) and Dy(11) clusters with cubane [Dy(4)(μ(3)-OH)(4)](8+) units exhibiting slow magnetic relaxation behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10229","10236","10.1039/c1dt10613a","","","0.71073","MoKα","","0.0994","0.0644","","","0.1541","0.1629","","","","","","0.829","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016705","21.9769","0.0009","21.9769","0.0009","22.5791","0.0012","90","","90","","120","","9444.3","0.7","150","2","150","2","","","","","","","","5","P 63/m","-P 6c","176","2.40H2O","","","- C139 H195 Dy11 N30 O89 -","- C132 H86 Dy11 N30 O42 -","- C264 H172 Dy22 N60 O84 -","2","0.166667","","Miao, Yan-Li; Liu, Jun-Liang; Li, Jin-Yan; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Two novel Dy(8) and Dy(11) clusters with cubane [Dy(4)(μ(3)-OH)(4)](8+) units exhibiting slow magnetic relaxation behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10229","10236","10.1039/c1dt10613a","","","0.71073","MoKα","","0.1044","0.063","","","0.1742","0.2112","","","","","","1.038","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016706","11.864","0.005","15.282","0.006","12.121","0.005","90","","111.42","0.01","90","","2045.8","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N5 -","- C26 H25 N5 -","- C104 H100 N20 -","4","1","","Kruck, Matthias; Sauer, Désirée C; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Bis(2-pyridylimino)isoindolato iron(ii) and cobalt(ii) complexes: Structural chemistry and paramagnetic NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10406","10415","10.1039/c1dt10617a","","x-ray","0.71073","MoKα","","0.0529","0.0433","","","0.113","0.1246","","","","","","1.058","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016707","11.194","0.005","18.995","0.009","11.738","0.006","90","","90.689","0.011","90","","2496","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Li N5 O -","- C30 H32 Li N5 O -","- C120 H128 Li4 N20 O4 -","4","1","","Kruck, Matthias; Sauer, Désirée C; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Bis(2-pyridylimino)isoindolato iron(ii) and cobalt(ii) complexes: Structural chemistry and paramagnetic NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10406","10415","10.1039/c1dt10617a","","x-ray","0.71073","MoKα","","0.0675","0.0492","","","0.1314","0.1445","","","","","","1.059","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016708","16.954","0.009","8.904","0.005","17.198","0.008","90","","90","","90","","2596","2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H30 Cl Co N5 O S -","- C28 H30 Cl Co N5 O S -","- C112 H120 Cl4 Co4 N20 O4 S4 -","4","1","","Kruck, Matthias; Sauer, Désirée C; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Bis(2-pyridylimino)isoindolato iron(ii) and cobalt(ii) complexes: Structural chemistry and paramagnetic NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10406","10415","10.1039/c1dt10617a","","x-ray","0.71073","MoKα","","0.0571","0.0388","","","0.0672","0.0725","","","","","","1.037","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016709","8.838","0.004","16.324","0.007","20.602","0.009","90","","90.207","0.016","90","","2972","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl Fe N5 O2 S2 -","- C30 H36 Cl Fe N5 O2 S2 -","- C120 H144 Cl4 Fe4 N20 O8 S8 -","4","1","","Kruck, Matthias; Sauer, Désirée C; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Bis(2-pyridylimino)isoindolato iron(ii) and cobalt(ii) complexes: Structural chemistry and paramagnetic NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10406","10415","10.1039/c1dt10617a","","x-ray","0.71073","MoKα","","0.0495","0.0359","","","0.0862","0.093","","","","","","1.041","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016710","13.578","0.007","14.502","0.007","26.573","0.015","90","","100.72","0.007","90","","5141","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58.53 H64.15 Co2 N10 O6.53 -","- C58.535 H64.14 Co2 N10 O6.535 -","- C234.14 H256.56 Co8 N40 O26.14 -","4","1","","Kruck, Matthias; Sauer, Désirée C; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Bis(2-pyridylimino)isoindolato iron(ii) and cobalt(ii) complexes: Structural chemistry and paramagnetic NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10406","10415","10.1039/c1dt10617a","","x-ray","0.71073","MoKα","","0.0918","0.0547","","","0.1136","0.128","","","","","","1.034","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016711","11.4809","0.0003","9.689","0.0003","20.4035","0.0006","90","","92.427","0.001","90","","2267.62","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ir(fppy)(ppy)(acac)","","","- C28 H23 Ir N2 O3 -","- C28 H23 Ir N2 O3 -","- C112 H92 Ir4 N8 O12 -","4","1","","Edkins, Robert M.; Wriglesworth, Alisdair; Fucke, Katharina; Bettington, Sylvia L.; Beeby, Andrew","The synthesis and photophysics of tris-heteroleptic cyclometalated iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9672","9678","10.1039/c1dt10619h","","","0.71073","MoKα","","0.0363","0.0289","","","0.0729","0.0767","","","","","","1.02","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016712","16.2452","0.0011","13.0806","0.0009","23.1275","0.0016","90","","106.2","0.001","90","","4719.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 N6 Nd2 Si4 -","- C40 H68 N6 Nd2 Si4 -","- C160 H272 N24 Nd8 Si16 -","4","0.5","","Zhou, Shuangliu; Wu, Shihong; Zhu, Hong; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Yang, Gaosheng; Cui, Daohui; Wang, Hengyu","Synthesis, structure and catalytic activity of alkali metal-free bent-sandwiched lanthanide amido complexes with calix[4]-pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9447","9453","10.1039/c1dt10622h","","","0.71073","MoKα","","0.0292","0.0249","","","0.0631","0.0671","","","","","","1.145","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016713","16.2516","0.0009","13.0822","0.0007","23.026","0.0013","90","","106.049","0.001","90","","4704.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 N6 Si4 Sm2 -","- C40 H68 N6 Si4 Sm2 -","- C160 H272 N24 Si16 Sm8 -","4","0.5","","Zhou, Shuangliu; Wu, Shihong; Zhu, Hong; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Yang, Gaosheng; Cui, Daohui; Wang, Hengyu","Synthesis, structure and catalytic activity of alkali metal-free bent-sandwiched lanthanide amido complexes with calix[4]-pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9447","9453","10.1039/c1dt10622h","","","0.71073","MoKα","","0.0286","0.0229","","","0.0572","0.061","","","","","","1.077","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016714","16.314","0.003","13.062","0.003","22.806","0.005","90","","105.693","0.002","90","","4678.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 Dy2 N6 Si4 -","- C40 H68 Dy2 N6 Si4 -","- C160 H272 Dy8 N24 Si16 -","4","0.5","","Zhou, Shuangliu; Wu, Shihong; Zhu, Hong; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Yang, Gaosheng; Cui, Daohui; Wang, Hengyu","Synthesis, structure and catalytic activity of alkali metal-free bent-sandwiched lanthanide amido complexes with calix[4]-pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9447","9453","10.1039/c1dt10622h","","","0.71073","MoKα","","0.0681","0.0455","","","0.1104","0.1315","","","","","","1.109","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016715","12.6462","0.0007","29.2019","0.0015","16.5042","0.0009","90","","97.591","0.001","90","","6041.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H84 N6 Nd2 Si4 -","- C55 H84 N6 Nd2 Si4 -","- C220 H336 N24 Nd8 Si16 -","4","1","","Zhou, Shuangliu; Wu, Shihong; Zhu, Hong; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Yang, Gaosheng; Cui, Daohui; Wang, Hengyu","Synthesis, structure and catalytic activity of alkali metal-free bent-sandwiched lanthanide amido complexes with calix[4]-pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9447","9453","10.1039/c1dt10622h","","","0.71073","MoKα","","0.0406","0.0287","","","0.0614","0.0662","","","","","","1.065","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016716","12.6353","0.001","29.185","0.002","19.4542","0.0011","90","","122.871","0.004","90","","6025.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H84 N6 Si4 Sm2 -","- C54.5 H84 N6 Si4 Sm2 -","- C218 H336 N24 Si16 Sm8 -","4","1","","Zhou, Shuangliu; Wu, Shihong; Zhu, Hong; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Yang, Gaosheng; Cui, Daohui; Wang, Hengyu","Synthesis, structure and catalytic activity of alkali metal-free bent-sandwiched lanthanide amido complexes with calix[4]-pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9447","9453","10.1039/c1dt10622h","","","0.71073","MoKα","","0.1467","0.06","","","0.0931","0.1164","","","","","","0.984","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016717","11.0768","0.0003","33.8502","0.0012","12.4059","0.0002","90","","91.673","0.0016","90","","4649.6","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cl N3 P2 Ru -","- C48 H44 Cl N3 P2 Ru -","- C192 H176 Cl4 N12 P8 Ru4 -","4","1","","Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","From amine to ruthenaziridine to azaallyl: unusual transformation of di-(2-pyridylmethyl)amine on ruthenium.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10603","10608","10.1039/c1dt10626k","","","0.71073","MoKα","","0.163","0.073","","","0.1776","0.2182","","","","","","0.93","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016718","21.076","0.004","9.289","0.0019","20.185","0.004","90","","93.48","0.03","90","","3944.4","1.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 N3 P2 Ru -","- C48 H43 N3 P2 Ru -","- C192 H172 N12 P8 Ru4 -","4","1","","Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","From amine to ruthenaziridine to azaallyl: unusual transformation of di-(2-pyridylmethyl)amine on ruthenium.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10603","10608","10.1039/c1dt10626k","","","0.71073","MoKα","","0.0841","0.0509","","","0.1154","0.1308","","","","","","1.02","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016719","11.5061","0.0003","11.7305","0.0003","16.1489","0.0003","88.632","0.0013","78.804","0.0013","83.233","0.0012","2123.28","0.09","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H41 N3 P2 Ru -","- C48 H41 N3 P2 Ru -","- C96 H82 N6 P4 Ru2 -","2","1","","Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","From amine to ruthenaziridine to azaallyl: unusual transformation of di-(2-pyridylmethyl)amine on ruthenium.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10603","10608","10.1039/c1dt10626k","","","0.71073","MoKα","","0.0514","0.0407","","","0.1067","0.1128","","","","","","1.069","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016720","12.495","0.007","14.18","0.001","14.571","0.001","61.785","0.003","73.167","0.004","75.014","0.004","2154.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H80 Cl10 Co7 N12 O12 -","- C76 H80 Cl10 Co7 N12 O12 -","- C76 H80 Cl10 Co7 N12 O12 -","1","0.5","","Pattacini, Roberto; Teo, Peili; Zhang, Jun; Lan, Yanhua; Powell, Annie K.; Nehrkorn, Joscha; Waldmann, Oliver; Hor, T. S. Andy; Braunstein, Pierre","Synthesis, characterization, and single-molecule metamagnetism of new Co(ii) polynuclear complexes of pyridine-2-ylmethanol.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10526","10534","10.1039/c1dt10631g","","x-ray","0.71073","MoKα","","0.2014","0.0622","","","0.1105","0.1341","","","","","","0.985","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016721","10.2761","0.0007","13.5914","0.0009","14.2153","0.0009","93.097","0.001","95.183","0.001","90.982","0.001","1973.9","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H76 Cl5 Co6 N12 Na O12 -","- C74 H76 Cl5 Co6 N12 Na O12 -","- C74 H76 Cl5 Co6 N12 Na O12 -","1","0.5","","Pattacini, Roberto; Teo, Peili; Zhang, Jun; Lan, Yanhua; Powell, Annie K.; Nehrkorn, Joscha; Waldmann, Oliver; Hor, T. S. Andy; Braunstein, Pierre","Synthesis, characterization, and single-molecule metamagnetism of new Co(ii) polynuclear complexes of pyridine-2-ylmethanol.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10526","10534","10.1039/c1dt10631g","","x-ray","0.71073","MoKα","","0.0566","0.0483","","","0.1375","0.1432","","","","","","1.078","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016722","9.544","0.0008","10.732","0.0009","11.203","0.0008","89.128","0.004","65.639","0.004","76.75","0.004","1013.41","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H38 Cl4 Co4 N6 O6 -","- C37 H38 Cl4 Co4 N6 O6 -","- C37 H38 Cl4 Co4 N6 O6 -","1","0.5","","Pattacini, Roberto; Teo, Peili; Zhang, Jun; Lan, Yanhua; Powell, Annie K.; Nehrkorn, Joscha; Waldmann, Oliver; Hor, T. S. Andy; Braunstein, Pierre","Synthesis, characterization, and single-molecule metamagnetism of new Co(ii) polynuclear complexes of pyridine-2-ylmethanol.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10526","10534","10.1039/c1dt10631g","","x-ray","0.71073","MoKα","","0.0696","0.0419","","","0.0895","0.0985","","","","","","1.061","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016723","19.0219","0.0007","15.6776","0.0008","6.1422","0.0003","90","","90","","90","","1831.71","0.15","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H30 F2 N P -","- C18 H30 F2 N P -","- C72 H120 F8 N4 P4 -","4","0.5","","Huynh, Keith; Chun, Cindy P.; Lough, Alan J.; Manners, Ian","Donor-stabilised cations, phosphinamide anions, and unusual oxidative cyclisation products from halogenated phosphoranimines and phosphinimines with a bulky 2,4,6-tri-tert-butylphenyl substituent at nitrogen.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10576","10584","10.1039/c1dt10641d","","","0.71073","MoKα","","0.0713","0.0472","","","0.1141","0.1288","","","","","","1.04","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016724","9.1257","0.0003","13.9396","0.0007","15.6039","0.0006","90","","95.608","0.003","90","","1975.45","0.14","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Cl N O2 P -","- C18 H29 Cl N O2 P -","- C72 H116 Cl4 N4 O8 P4 -","4","1","","Huynh, Keith; Chun, Cindy P.; Lough, Alan J.; Manners, Ian","Donor-stabilised cations, phosphinamide anions, and unusual oxidative cyclisation products from halogenated phosphoranimines and phosphinimines with a bulky 2,4,6-tri-tert-butylphenyl substituent at nitrogen.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10576","10584","10.1039/c1dt10641d","","","0.71073","MoKα","","0.1084","0.0575","","","0.1372","0.1615","","","","","","1.053","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016725","8.7008","0.0002","10.6081","0.0003","20.7723","0.0006","98.8","0.0016","90.99","0.0018","112.465","0.0015","1744.88","0.08","150","1","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H41 Cl4 F3 N3 O3 P S -","- C27 H41 Cl4 F3 N3 O3 P S -","- C54 H82 Cl8 F6 N6 O6 P2 S2 -","2","1","","Huynh, Keith; Chun, Cindy P.; Lough, Alan J.; Manners, Ian","Donor-stabilised cations, phosphinamide anions, and unusual oxidative cyclisation products from halogenated phosphoranimines and phosphinimines with a bulky 2,4,6-tri-tert-butylphenyl substituent at nitrogen.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10576","10584","10.1039/c1dt10641d","","","0.71073","MoKα","","0.0808","0.0492","","","0.1194","0.1391","","","","","","1.031","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016726","12.0616","0.0012","12.9951","0.0006","15.35","0.0007","114.766","0.002","100.937","0.003","99.045","0.003","2068","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ni6-benzoato-cluster","","","- C84 H72 N12 Ni6 O18 -","- C84 H72 N12 Ni6 O18 -","- C84 H72 N12 Ni6 O18 -","1","0.5","","Escuer, Albert; Vlahopoulou, Gina; Mautner, Franz A.","Use of 6-methylpyridine-2-carbaldehydeoxime in nickel(ii) carboxylate chemistry: synthetic, structural and magnetic properties of penta and hexanuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10109","10116","10.1039/c1dt10657k","","","0.71073","MoKα","","0.0465","0.0341","","","0.0838","0.0885","","","","","","1.069","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016727","18.0582","0.0008","18.0582","0.0008","18.8851","0.0009","90","","90","","120","","5333.3","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","(Ni6(6-mpko)6(ac)6)(MeOH)6.H2O","","","- C60 H86 N12 Ni6 O25 -","- C60 H86 N12 Ni6 O25 -","- C180 H258 N36 Ni18 O75 -","3","0.166667","","Escuer, Albert; Vlahopoulou, Gina; Mautner, Franz A.","Use of 6-methylpyridine-2-carbaldehydeoxime in nickel(ii) carboxylate chemistry: synthetic, structural and magnetic properties of penta and hexanuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10109","10116","10.1039/c1dt10657k","","","0.71073","MoKα","","0.0359","0.0306","","","0.0833","0.0956","","","1.09","","","1.098","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016728","22.7201","0.0007","24.5465","0.0009","30.7437","0.0011","90","","97.217","0.002","90","","17009.9","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Ni5(N3)2(3-ClBzO2)4(L)6)(CH2Cl2)4(C4H10O)(H2O)","","","- C148 H140 Cl16 N36 Ni10 O30 -","- C148 H140 Cl16 N36 Ni10 O30 -","- C592 H560 Cl64 N144 Ni40 O120 -","4","1","","Escuer, Albert; Vlahopoulou, Gina; Mautner, Franz A.","Use of 6-methylpyridine-2-carbaldehydeoxime in nickel(ii) carboxylate chemistry: synthetic, structural and magnetic properties of penta and hexanuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10109","10116","10.1039/c1dt10657k","","","0.71073","MoKα","","0.1578","0.0617","","","0.126","0.1692","","","","","","1.03","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016729","7.963","0.0016","8.3667","0.0017","19.261","0.004","84.11","0.03","86.97","0.03","63.57","0.03","1143","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H33 Cl Cr N O -","- C23 H33 Cl Cr N O -","- C46 H66 Cl2 Cr2 N2 O2 -","2","1","","Sun, Mingtai; Xu, Tieqi; Gao, Wei; Liu, Yang; Wu, Qiaolin; Mu, Ying; Ye, Ling","Large ultra-high molecular weight polyethylene spherical particles produced by AlR(3) activated half-sandwich chromium(iii) catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10184","10194","10.1039/c1dt10659g","","","0.71073","MoKα","","0.1208","0.0629","","","0.1265","0.1537","","","","","","1.048","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016730","9.4593","0.0019","12.206","0.002","21.386","0.004","90","","102.19","0.03","90","","2413.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 Cl Cr N O -","- C24 H35 Cl Cr N O -","- C96 H140 Cl4 Cr4 N4 O4 -","4","1","","Sun, Mingtai; Xu, Tieqi; Gao, Wei; Liu, Yang; Wu, Qiaolin; Mu, Ying; Ye, Ling","Large ultra-high molecular weight polyethylene spherical particles produced by AlR(3) activated half-sandwich chromium(iii) catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10184","10194","10.1039/c1dt10659g","","","0.71073","MoKα","","0.1406","0.0925","","","0.2336","0.2666","","","","","","1.053","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016731","9.4568","0.0019","12.286","0.003","21.323","0.004","90","","100.68","0.03","90","","2434.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Cl Cr N O -","- C25 H37 Cl Cr N O -","- C100 H148 Cl4 Cr4 N4 O4 -","4","1","","Sun, Mingtai; Xu, Tieqi; Gao, Wei; Liu, Yang; Wu, Qiaolin; Mu, Ying; Ye, Ling","Large ultra-high molecular weight polyethylene spherical particles produced by AlR(3) activated half-sandwich chromium(iii) catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10184","10194","10.1039/c1dt10659g","","","0.71073","MoKα","","0.1027","0.0555","","","0.1263","0.1453","","","","","","1.038","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016732","11.921","0.002","19.965","0.004","13.056","0.003","90","","113.69","0.03","90","","2845.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 Cl Cr N O -","- C28 H43 Cl Cr N O -","- C112 H172 Cl4 Cr4 N4 O4 -","4","1","","Sun, Mingtai; Xu, Tieqi; Gao, Wei; Liu, Yang; Wu, Qiaolin; Mu, Ying; Ye, Ling","Large ultra-high molecular weight polyethylene spherical particles produced by AlR(3) activated half-sandwich chromium(iii) catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10184","10194","10.1039/c1dt10659g","","","0.71073","MoKα","","0.1043","0.061","","","0.1415","0.1606","","","","","","1.035","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016733","29.846","0.006","8.7377","0.0017","26.532","0.005","90","","113.53","0.03","90","","6344","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H49 Cl Cr N O -","- C34 H49 Cl Cr N O -","- C272 H392 Cl8 Cr8 N8 O8 -","8","1","","Sun, Mingtai; Xu, Tieqi; Gao, Wei; Liu, Yang; Wu, Qiaolin; Mu, Ying; Ye, Ling","Large ultra-high molecular weight polyethylene spherical particles produced by AlR(3) activated half-sandwich chromium(iii) catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10184","10194","10.1039/c1dt10659g","","","0.71073","MoKα","","0.1499","0.1017","","","0.2678","0.2873","","","","","","1.112","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016734","11.227","0.005","12.833","0.005","15.121","0.005","90","0.005","90","0.005","90","0.005","2178.6","1.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H20 N4 Ni O4 -","- C26 H20 N4 Ni O4 -","- C104 H80 N16 Ni4 O16 -","4","0.5","","Pandey, Sharmila; Das, Partha Pratim; Singh, Akhilesh Kumar; Mukherjee, Rabindranath","Cobalt(ii), nickel(ii) and copper(ii) complexes of a hexadentate pyridine amide ligand. Effect of donor atom (ether vs. thioether) on coordination geometry, spin-state of cobalt and M(III)-M(II) redox potential.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10758","10768","10.1039/c1dt10661a","","","0.71069","MoKα","","0.0735","0.0472","","","0.1211","0.1586","","","","","","0.88","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016735","8.567","0.003","8.993","0.003","14.944","0.005","75.12","0.006","83.788","0.005","78.118","0.006","1087","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cu N4 O4 -","- C26 H20 Cu N4 O4 -","- C52 H40 Cu2 N8 O8 -","2","1","","Pandey, Sharmila; Das, Partha Pratim; Singh, Akhilesh Kumar; Mukherjee, Rabindranath","Cobalt(ii), nickel(ii) and copper(ii) complexes of a hexadentate pyridine amide ligand. Effect of donor atom (ether vs. thioether) on coordination geometry, spin-state of cobalt and M(III)-M(II) redox potential.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10758","10768","10.1039/c1dt10661a","","","0.71073","MoKα","","0.0949","0.0666","","","0.1708","0.2509","","","","","","1.103","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016736","9.461","0.004","13.056","0.006","18.04","0.008","90","","95.288","0.008","90","","2218.9","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Co N4 O4 -","- C26 H20 Co N4 O4 -","- C104 H80 Co4 N16 O16 -","4","1","","Pandey, Sharmila; Das, Partha Pratim; Singh, Akhilesh Kumar; Mukherjee, Rabindranath","Cobalt(ii), nickel(ii) and copper(ii) complexes of a hexadentate pyridine amide ligand. Effect of donor atom (ether vs. thioether) on coordination geometry, spin-state of cobalt and M(III)-M(II) redox potential.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10758","10768","10.1039/c1dt10661a","","","0.71073","MoKα","","0.1008","0.0571","","","0.1579","0.2244","","","","","","0.867","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016737","8.8648","0.0008","15.593","0.001","10.801","0.001","90","","90.99","0.002","90","","1492.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Mo S2 -","- C18 H16 Mo S2 -","- C72 H64 Mo4 S8 -","4","1","","Whalley, Alexandra L.; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Disley, Helen J.; Helliwell, Madeleine; Mabbs, Frank E.; McMaster, Jonathan; Wilson, Claire; Garner, C. David","Synthesis, structure and redox properties of bis(cyclopentadienyl)dithiolene complexes of molybdenum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10457","10472","10.1039/c1dt10663e","","","0.71073","MoKα","","0.0395","0.0279","","","0.0619","0.065","","","","","","0.964","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016738","6.7275","0.0005","14.586","0.001","18.307","0.01","90","","98.273","0.0001","90","","1777.7","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 B F4 Mo S2 -","- C18 H16 B F4 Mo S2 -","- C72 H64 B4 F16 Mo4 S8 -","4","1","","Whalley, Alexandra L.; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Disley, Helen J.; Helliwell, Madeleine; Mabbs, Frank E.; McMaster, Jonathan; Wilson, Claire; Garner, C. David","Synthesis, structure and redox properties of bis(cyclopentadienyl)dithiolene complexes of molybdenum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10457","10472","10.1039/c1dt10663e","","","0.71073","MoKα","","0.0633","0.048","","","0.129","0.138","","","","","","1.064","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016739","10.732","0.002","16.083","0.002","8.66","0.002","90","","90.16","0.02","90","","1494.7","0.5","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H15 Mo N S2 -","- C17 H15 Mo N S2 -","- C68 H60 Mo4 N4 S8 -","4","1","","Whalley, Alexandra L.; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Disley, Helen J.; Helliwell, Madeleine; Mabbs, Frank E.; McMaster, Jonathan; Wilson, Claire; Garner, C. David","Synthesis, structure and redox properties of bis(cyclopentadienyl)dithiolene complexes of molybdenum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10457","10472","10.1039/c1dt10663e","","","1.5418","CuKα","","0.0654","0.0474","","","0.1176","0.1287","","","","","","1.054","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016740","6.939","0.001","14.514","0.002","17.696","0.003","90","","101.018","0.003","90","","1749.4","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 B F4 Mo N S2 -","- C17 H15 B F4 Mo N S2 -","- C68 H60 B4 F16 Mo4 N4 S8 -","4","1","","Whalley, Alexandra L.; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Disley, Helen J.; Helliwell, Madeleine; Mabbs, Frank E.; McMaster, Jonathan; Wilson, Claire; Garner, C. David","Synthesis, structure and redox properties of bis(cyclopentadienyl)dithiolene complexes of molybdenum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10457","10472","10.1039/c1dt10663e","","","0.71073","MoKα","","0.0732","0.0459","","","0.111","0.124","","","","","","0.96","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016741","10.5703","0.0014","11.879","0.002","11.992","0.002","90","","97.136","0.002","90","","1494.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N S2 W -","- C17 H15 N S2 W -","- C68 H60 N4 S8 W4 -","4","1","","Whalley, Alexandra L.; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Disley, Helen J.; Helliwell, Madeleine; Mabbs, Frank E.; McMaster, Jonathan; Wilson, Claire; Garner, C. David","Synthesis, structure and redox properties of bis(cyclopentadienyl)dithiolene complexes of molybdenum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10457","10472","10.1039/c1dt10663e","","","0.71073","MoKα","","0.0215","0.0185","","","0.048","0.049","","","","","","1.02","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016742","6.97","0.0009","14.514","0.002","17.689","0.002","90","","100.907","0.01","90","","1757.1","0.4","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 B F4 N S2 W -","- C17 H15 B F4 N S2 W -","- C68 H60 B4 F16 N4 S8 W4 -","4","1","","Whalley, Alexandra L.; Blake, Alexander J.; Collison, David; Davies, E. Stephen; Disley, Helen J.; Helliwell, Madeleine; Mabbs, Frank E.; McMaster, Jonathan; Wilson, Claire; Garner, C. David","Synthesis, structure and redox properties of bis(cyclopentadienyl)dithiolene complexes of molybdenum and tungsten.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10457","10472","10.1039/c1dt10663e","","","0.71073","MoKα","","0.0776","0.0396","","","0.0686","0.0798","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016743","10.039","0.004","10.075","0.006","12.819","0.005","90.85","0.02","103.59","0.03","90.42","0.03","1260","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 Br2 N Pt S -","- C25 H27 Br2 N Pt S -","- C50 H54 Br4 N2 Pt2 S2 -","2","1","","Crespo, Margarita; Font-Bardia, Mercè; Calvet, Teresa","Biaryl formation in the synthesis of endo and exo-platinacycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9431","9438","10.1039/c1dt10664c","","","0.71073","MoKα","","0.0358","0.031","","","0.0845","0.0934","","","","","","1.129","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016744","21.026","0.008","7.879","0.005","21.075","0.008","90","","108.56","0.02","90","","3310","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Br Cl N P Pt -","- C39 H32 Br Cl N P Pt -","- C156 H128 Br4 Cl4 N4 P4 Pt4 -","4","1","","Crespo, Margarita; Font-Bardia, Mercè; Calvet, Teresa","Biaryl formation in the synthesis of endo and exo-platinacycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9431","9438","10.1039/c1dt10664c","","","0.71073","MoKα","","0.0696","0.0563","","","0.1563","0.1659","","","","","","1.09","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016745","9.683","0.005","9.885","0.004","17.635","0.007","85.59","0.02","82.01","0.02","82.75","0.02","1655.2","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H35 Br N P Pt -","- C40 H35 Br N P Pt -","- C80 H70 Br2 N2 P2 Pt2 -","2","1","","Crespo, Margarita; Font-Bardia, Mercè; Calvet, Teresa","Biaryl formation in the synthesis of endo and exo-platinacycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9431","9438","10.1039/c1dt10664c","","","0.71073","MoKα","","0.0359","0.0344","","","0.0888","0.0927","","","","","","1.125","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016746","9.508","0.004","11.237","0.004","18.529","0.006","81.01","0.03","82.46","0.02","76.34","0.03","1890.8","1.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C39.5 H34 Br Cl F2 N O P Pt -","- C39.5 H32 Br Cl F2 N O P Pt -","- C79 H64 Br2 Cl2 F4 N2 O2 P2 Pt2 -","2","1","","Crespo, Margarita; Font-Bardia, Mercè; Calvet, Teresa","Biaryl formation in the synthesis of endo and exo-platinacycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9431","9438","10.1039/c1dt10664c","","","0.71073","MoKα","","0.0577","0.052","","","0.144","0.1526","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016747","10.8302","0.0002","26.1898","0.0005","13.3993","0.0002","90","","90","","90","","3800.59","0.12","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C32 H26 Br2 Cl4 N4 O6 Pd2 S2 -","- C32 H26 Br2 Cl4 N4 O6 Pd2 S2 -","- C128 H104 Br8 Cl16 N16 O24 Pd8 S8 -","4","0.5","","Mancilha, Fabiana S.; Barloy, Laurent; Rodembusch, Fabiano S.; Dupont, Jairton; Pfeffer, Michel","Cyclopalladated complexes of 4-aryl-2,1,3-benzothiadiazoles: new emitters in solution at room temperature.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10535","10544","10.1039/c1dt10666j","","","0.71073","MoKα","","0.0659","0.0407","","","0.115","0.1437","","","","","","1.182","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016748","8.6025","0.0004","10.4897","0.0004","10.9885","0.0003","77.842","0.002","85.148","0.002","67.469","0.002","895.34","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H13 Br Cl N3 O Pd S -","- C18 H13 Br Cl N3 O Pd S -","- C36 H26 Br2 Cl2 N6 O2 Pd2 S2 -","2","1","","Mancilha, Fabiana S.; Barloy, Laurent; Rodembusch, Fabiano S.; Dupont, Jairton; Pfeffer, Michel","Cyclopalladated complexes of 4-aryl-2,1,3-benzothiadiazoles: new emitters in solution at room temperature.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10535","10544","10.1039/c1dt10666j","","","0.71073","MoKα","","0.0351","0.0292","","","0.0713","0.074","","","","","","1.054","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016749","13.46","0.002","13.46","0.002","30.805","0.005","90","","90","","120","","4833.3","1.3","150","2","150","2","","","","","","","","7","P 63","P 6c","173","","","","- C95 H85.5 F24 N14.5 Ni2 O6 P4 -","- C90 H78 F24 N12 Ni2 O6 P4 -","- C180 H156 F48 N24 Ni4 O12 P8 -","2","0.333333","","Glasson, Christopher R. K.; Meehan, George V.; Motti, Cherie A.; Clegg, Jack K.; Turner, Peter; Jensen, Paul; Lindoy, Leonard F.","New nickel(ii) and iron(ii) helicates and tetrahedra derived from expanded quaterpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10481","10490","10.1039/c1dt10667h","","","0.71073","MoKα","","0.0928","0.0878","","","0.2353","0.2395","","","","","","1.003","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7016750","20.247","0.0012","20.79","0.0012","30.546","0.0017","82.126","0.003","76.935","0.003","73.436","0.003","11969","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C186 H183.7 F48 Fe4 N27 O21.35 P8 -","- C186 H165 F48 Fe4 N27 O21.35 P8 -","- C372 H330 F96 Fe8 N54 O42.7 P16 -","2","1","","Glasson, Christopher R. K.; Meehan, George V.; Motti, Cherie A.; Clegg, Jack K.; Turner, Peter; Jensen, Paul; Lindoy, Leonard F.","New nickel(ii) and iron(ii) helicates and tetrahedra derived from expanded quaterpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10481","10490","10.1039/c1dt10667h","","","0.71073","MoKα","","0.1473","0.1192","","","0.3016","0.3245","","","","","","1.384","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7016751","21.1588","0.0012","24.2022","0.0014","37.7344","0.0022","78.498","0.004","79.573","0.004","76.78","0.003","18247","1.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C264 H279.75 F48 N30 Ni4 O35.325 P8 -","- C264 H272 F48 N30 Ni4 O35.325 P8 -","- C528 H544 F96 N60 Ni8 O70.65 P16 -","2","1","","Glasson, Christopher R. K.; Meehan, George V.; Motti, Cherie A.; Clegg, Jack K.; Turner, Peter; Jensen, Paul; Lindoy, Leonard F.","New nickel(ii) and iron(ii) helicates and tetrahedra derived from expanded quaterpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10481","10490","10.1039/c1dt10667h","","","0.71073","MoKα","","0.1719","0.1123","","","0.2757","0.3001","","","","","","1.173","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7016752","42.764","0.002","42.764","0.002","17.317","0.0016","90","","90","","90","","31669","4","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C278 H304 F48 Fe4 N24 O36.5 P8 -","- C236 H220 F48 Fe4 N24 O26 P8 -","- C944 H880 F192 Fe16 N96 O104 P32 -","4","0.25","","Glasson, Christopher R. K.; Meehan, George V.; Motti, Cherie A.; Clegg, Jack K.; Turner, Peter; Jensen, Paul; Lindoy, Leonard F.","New nickel(ii) and iron(ii) helicates and tetrahedra derived from expanded quaterpyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10481","10490","10.1039/c1dt10667h","","","0.49594","synchrotron","","0.1844","0.1623","","","0.3742","0.3879","","","","","","1.691","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7016753","9.8636","0.0003","12.9003","0.0004","17.8871","0.0006","90","","90","","90","","2276.02","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","2","","Buchtík, Roman; Trávníček, Zdeněk; Vančo, Ján; Herchel, Radovan; Dvořák, Zdeněk","Synthesis, characterization, DNA interaction and cleavage, and in vitro cytotoxicity of copper(ii) mixed-ligand complexes with 2-phenyl-3-hydroxy-4(1H)-quinolinone.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9404","9412","10.1039/c1dt10674k","","","0.71073","MoKα","","0.031","0.0261","","","0.0601","0.0612","","","","","","0.941","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016754","17.5992","0.0005","7.17851","0.00019","19.0423","0.0005","90","","111.443","0.003","90","","2239.21","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cu N4 O6 -","- C27 H20 Cu N4 O6 -","- C108 H80 Cu4 N16 O24 -","4","1","","Buchtík, Roman; Trávníček, Zdeněk; Vančo, Ján; Herchel, Radovan; Dvořák, Zdeněk","Synthesis, characterization, DNA interaction and cleavage, and in vitro cytotoxicity of copper(ii) mixed-ligand complexes with 2-phenyl-3-hydroxy-4(1H)-quinolinone.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9404","9412","10.1039/c1dt10674k","","","0.71073","MoKα","","0.0502","0.0329","","","0.0783","0.0817","","","","","","0.951","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016755","14.0853","0.0007","22.5202","0.0011","6.8273","0.0004","90","","95.373","0.005","90","","2156.1","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H19 Cu N5 O5 -","- C25 H19 Cu N5 O5 -","- C100 H76 Cu4 N20 O20 -","4","1","","Buchtík, Roman; Trávníček, Zdeněk; Vančo, Ján; Herchel, Radovan; Dvořák, Zdeněk","Synthesis, characterization, DNA interaction and cleavage, and in vitro cytotoxicity of copper(ii) mixed-ligand complexes with 2-phenyl-3-hydroxy-4(1H)-quinolinone.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9404","9412","10.1039/c1dt10674k","","","0.71073","MoKα","","0.0316","0.0296","","","0.075","0.0759","","","","","","1.042","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016756","9.8835","0.0006","10.1932","0.0011","18.8112","0.0014","74.61","0.008","88.13","0.006","68.295","0.008","1693.1","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Li N O Si -","- C40 H46 Li N O Si -","- C80 H92 Li2 N2 O2 Si2 -","2","1","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","1.54184","CuKα","","0.057","0.0407","","","0.106","0.1134","","","","","","1.049","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016757","9.7625","0.0004","10.1602","0.0004","18.8405","0.0007","105.507","0.003","90.534","0.003","112.6","0.004","1649.22","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Li N O Si -","- C40 H44 Li N O Si -","- C80 H88 Li2 N2 O2 Si2 -","2","1","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0631","0.0459","","","0.0924","0.1022","","","","","","1.035","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016758","10.8967","0.0007","11.1647","0.0007","18.3301","0.0012","78.746","0.004","89.505","0.004","75.339","0.004","2114","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 N Na O3 Si -","- C48 H60 N Na O3 Si -","- C96 H120 N2 Na2 O6 Si2 -","2","1","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0942","0.0563","","","0.1239","0.1405","","","","","","1.014","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016759","10.6752","0.0004","12.6029","0.0004","18.4402","0.0007","91.644","0.003","97.18","0.003","114.573","0.003","2229.57","0.15","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H52 K N O Si -","- C55 H52 K N O Si -","- C110 H104 K2 N2 O2 Si2 -","2","2","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0537","0.0485","","","0.1238","0.1288","","","","","","1.047","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016760","16.6936","0.0008","22.4261","0.0009","7.639","0.0003","90","","90","","90","","2859.8","0.2","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H37 N Si -","- C36 H37 N Si -","- C144 H148 N4 Si4 -","4","0.5","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0797","0.0491","","","0.1049","0.1185","","","","","","1.064","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016761","9.8669","0.0004","13.033","0.0005","15.5728","0.0007","79.153","0.002","84.525","0.002","72.621","0.002","1875.38","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H88 Cl2 N2 Pb2 Si2 -","- C86 H88 Cl2 N2 Pb2 Si2 -","- C86 H88 Cl2 N2 Pb2 Si2 -","1","0.5","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0559","0.0363","","","0.0666","0.0726","","","","","","1.018","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016762","10.0788","0.0007","13.1075","0.0009","13.1687","0.0009","90.754","0.003","108.006","0.004","96.141","0.004","1643","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Cl3 N Si2 -","- C36 H36 Cl3 N Si2 -","- C72 H72 Cl6 N2 Si4 -","2","1","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0533","0.0476","","","0.0997","0.1021","","","","","","1.197","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016763","10.4843","0.0007","12.8042","0.0008","14.8588","0.0009","82.135","0.005","85.347","0.005","80.847","0.005","1947.2","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cl3 N Si2 -","- C46 H40 Cl3 N Si2 -","- C92 H80 Cl6 N2 Si4 -","2","1","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0871","0.0575","","","0.1265","0.1424","","","","","","1.027","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016764","12.508","0.0007","17.046","0.001","15.5962","0.0009","90","","97.4","0.002","90","","3297.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Cl2 N Si2 -","- C36 H37 Cl2 N Si2 -","- C144 H148 Cl8 N4 Si8 -","4","1","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.1175","0.081","","","0.1998","0.2215","","","","","","1.045","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016765","20.5915","0.0012","10.8266","0.0005","17.5359","0.0007","90","","95.691","0.005","90","","3890.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H43 N Si -","- C51 H43 N Si -","- C204 H172 N4 Si4 -","4","1","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0514","0.0399","","","0.0917","0.0977","","","","","","1.023","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016766","9.839","0.002","18.298","0.004","19.291","0.004","104.22","0.03","98.69","0.03","104.6","0.03","3172.8","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cl Ge N Si -","- C36 H36 Cl Ge N Si -","- C144 H144 Cl4 Ge4 N4 Si4 -","4","2","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.085","0.0457","","","0.0994","0.1129","","","","","","1.035","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016767","9.799","0.002","18.329","0.004","19.472","0.004","103.5","0.03","98.96","0.03","104.63","0.03","3203.6","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cl N Si Sn -","- C36 H36 Cl N Si Sn -","- C144 H144 Cl4 N4 Si4 Sn4 -","4","2","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0879","0.0452","","","0.0993","0.1155","","","","","","1.04","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016768","13.4198","0.0003","14.096","0.0003","14.4193","0.0003","66.512","0.002","81.228","0.002","86.827","0.002","2472.33","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H57 Cl N O1.5 Si Sn -","- C57 H57 Cl N O1.5 Si Sn -","- C114 H114 Cl2 N2 O3 Si2 Sn2 -","2","1","","Li, Jiaye; Stasch, Andreas; Schenk, Christian; Jones, Cameron","Extremely bulky amido-group 14 element chloride complexes: Potential synthons for low oxidation state main group chemistry.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10448","10456","10.1039/c1dt10678c","","","0.71073","MoKα","","0.0525","0.0444","","","0.1212","0.1281","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016769","13.989","0.003","16.567","0.003","21.933","0.003","90","","110.731","0.01","90","","4754","1.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Eu2 N8 O20 -","- C36 H48 Eu2 N8 O20 -","- C144 H192 Eu8 N32 O80 -","4","1","","Wang, Li-Feng; Kang, Ling-Chen; Zhang, Wen-Wei; Wang, Fang-Ming; Ren, Xiao-Ming; Meng, Qing-Jin","New europium coordination polymers with efficient energy transfer from conjugated tetracarboxylate ligands to Eu(3+) ion: syntheses, structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9490","9497","10.1039/c1dt10693g","","","0.71073","MoKα","","0.1205","0.0577","","","0.125","0.1425","","","","","","1.004","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016770","30.208","0.005","21.295","0.005","18.632","0.003","90","","94.434","0.005","90","","11950","4","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 Eu2 O16 -","- C32 H21 Eu2 O16 -","- C256 H168 Eu16 O128 -","8","1","","Wang, Li-Feng; Kang, Ling-Chen; Zhang, Wen-Wei; Wang, Fang-Ming; Ren, Xiao-Ming; Meng, Qing-Jin","New europium coordination polymers with efficient energy transfer from conjugated tetracarboxylate ligands to Eu(3+) ion: syntheses, structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9490","9497","10.1039/c1dt10693g","","","0.71073","MoKα","","0.1026","0.0668","","","0.1681","0.1808","","","","","","0.871","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016771","9.8144","0.0007","11.3843","0.0007","21.742","0.001","100.064","0.005","97.405","0.005","101.87","0.006","2306.2","0.3","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","cyanido-(N,N'-bis(2-oxy-3-methoxy-benzylidene) -1,6-diamino-4-azahexane)-iron(iii)","","- C46 H58 Fe2 N8 O11 -","- C46 H58 Fe2 N8 O10.999 -","- C92 H116 Fe4 N16 O21.998 -","2","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.1081","0.0651","","","0.1756","0.2177","","","","","","1.147","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016772","27.2418","0.0007","27.2418","0.0007","17.5466","0.0004","90","","90","","120","","11277","0.5","304","2","304","2","","","","","","","","5","R -3 :H","-R 3","148","cyanido-(N,N'-bis(2-oxy-3-ethoxy-benzylidene) -1,6-diamino-4- azahexane)-iron(iii)","cyanido-(N,N'-bis(2-oxy-3-ethoxy-benzylidene) -1,6-diamino-4-azahexane)-iron(iii)","","- C24 H29 Fe N4 O4 -","- C24 H29 Fe N4 O4 -","- C432 H522 Fe18 N72 O72 -","18","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0713","0.0478","","","0.126","0.1635","","","","","","1.18","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016773","16.093","0.003","11.48","0.002","17.222","0.003","90","","102.06","0.03","90","","3111.5","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Fe N4 O2 S -","- C30 H41 Fe N4 O2 S -","- C120 H164 Fe4 N16 O8 S4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0538","0.0336","","","0.0861","0.0899","","","","","","0.916","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016774","10.6953","0.0005","25.8533","0.001","17.9019","0.0008","90","","102.45","0.004","90","","4833.6","0.4","298","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","isocyanato-(N,N'-bis(2-oxy-3-methoxy-benzylidene) -1,6-diamino-4-azahexane)-iron(iii)","","- C22 H25 Fe N4 O5 -","- C22 H25 Fe N4 O5 -","- C176 H200 Fe8 N32 O40 -","8","2","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0816","0.0451","","","0.1321","0.1508","","","","","","0.979","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016775","8.8783","0.0006","11.4031","0.0007","11.7377","0.0008","75.491","0.006","79.984","0.006","71.213","0.006","1083.49","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","azido-(N,N'-bis(2-oxy-3-methoxy-benzylidene) -1,6-diamino-4-azahexane)-iron(iii)","","- C21 H25 Fe N6 O4 -","- C21 H25 Fe N6 O4 -","- C42 H50 Fe2 N12 O8 -","2","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0908","0.0394","","","0.0667","0.0744","","","","","","0.814","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016776","11.402","0.0006","16.8606","0.0009","14.2524","0.0008","90","","96.143","0.005","90","","2724.2","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 S -","- C30 H28 Fe N5 O2 S -","- C120 H112 Fe4 N20 O8 S4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0353","0.0305","","","0.0701","0.0719","","","","","","1.01","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016777","11.2861","0.0004","16.9335","0.0006","14.4691","0.0005","90","","96.099","0.003","90","","2749.58","0.17","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 S -","- C30 H28 Fe N5 O2 S -","- C120 H112 Fe4 N20 O8 S4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0308","0.0265","","","0.0611","0.0622","","","","","","0.996","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016778","11.265","0.005","17.035","0.005","14.515","0.005","90","","95.924","0.005","90","","2770.5","1.8","240","2","240","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 S -","- C30 H28 Fe N5 O2 S -","- C120 H112 Fe4 N20 O8 S4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.029","0.0246","","","0.0562","0.0575","","","","","","0.995","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016779","11.538","0.005","16.723","0.005","14.08","0.005","90","","96.281","0.005","90","","2700.4","1.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 Se -","- C30 H28 Fe N5 O2 Se -","- C120 H112 Fe4 N20 O8 Se4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0567","0.0475","","","0.0924","0.0996","","","","","","1.039","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016780","11.258","0.0004","17.1503","0.0008","14.63","0.0006","90","","95.975","0.004","90","","2809.4","0.2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Fe N5 O2 Se -","- C30 H28 Fe N5 O2 Se -","- C120 H112 Fe4 N20 O8 Se4 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0503","0.0323","","","0.0673","0.0728","","","","","","1.16","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016781","7.262","0.005","12.719","0.005","25.043","0.005","90","","90","","90","","2313.1","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Fe N4 O3 -","- C28 H25 Fe N4 O3 -","- C112 H100 Fe4 N16 O12 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.1056","0.0664","","","0.104","0.1126","","","","","","1.002","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016782","7.217","0.005","13.24","0.005","24.971","0.005","90","","90","","90","","2386.1","1.9","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Fe N4 O3 -","- C28 H25 Fe N4 O3 -","- C112 H100 Fe4 N16 O12 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.1021","0.056","","","0.0835","0.0915","","","","","","0.931","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016783","10.2907","0.0005","10.8374","0.0006","13.0071","0.0008","97.526","0.005","92.185","0.005","92.571","0.004","1435.25","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Fe N4 O3 S -","- C31 H31 Fe N4 O3 S -","- C62 H62 Fe2 N8 O6 S2 -","2","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0555","0.0372","","","0.097","0.1039","","","","","","1.054","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016784","9.8102","0.0007","11.3812","0.0007","21.7331","0.001","100.079","0.005","97.386","0.005","101.887","0.005","2303.5","0.3","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","cyanido-(N,N'-bis(2-oxy-3-methoxy-benzylidene) -1,6-diamino-4-azahexane)-iron(iii)","","- C23 H29 Fe N4 O5 -","- C22 H25 Fe N4 O4 -","- C88 H100 Fe4 N16 O16 -","4","2","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.068","0.0521","","","0.149","0.1564","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016785","13.95","0.0004","16.888","0.0005","15.397","0.0004","90","","102.071","0.002","90","","3547.14","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C176 H144 N16 O8 -","8","2","","Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","New 2,3-disubstituted-5-hydroxyquinoxaline ligands and their coordination chemistry with cyclometallated iridium(iii): syntheses, structures and tunable electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9474","9481","10.1039/c1dt10707k","","","0.71073","MoKα","","0.1337","0.0705","","","0.139","0.1635","","","","","","1.012","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016786","18.3163","0.0006","9.7199","0.0004","23.338","0.0005","90","","110.101","0.002","90","","3901.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.4 H33.8 Br2 Ir N4 O2 -","- C44.4 H33 Br2 Ir N4 O2 -","- C177.6 H132 Br8 Ir4 N16 O8 -","4","1","","Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","New 2,3-disubstituted-5-hydroxyquinoxaline ligands and their coordination chemistry with cyclometallated iridium(iii): syntheses, structures and tunable electronic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9474","9481","10.1039/c1dt10707k","","","0.71073","MoKα","","0.1245","0.0692","","","0.1217","0.1386","","","","","","1.09","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016787","18.639","","18.639","","52.333","0.0004","90","","90","","120","","15745.3","0.12","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72 H118 Co8 O49 -","- C72 H94 Co8 O49 -","- C432 H564 Co48 O294 -","6","0.333333","","Chen, Li-Juan; Su, Jiang-Bo; Huang, Rong-Bin; Lin, Shen; Yang, Ming-Xing; Huang, Hua","A tri-layer structure consisting of novel heptacobaltate clusters and single cobalt centers bridged by 5-tert-butyl isophthalate.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9731","9736","10.1039/c1dt10723b","","","0.71073","MoKα","","0.0794","0.0585","","","0.1862","0.2082","","","","","","1.048","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016788","8.6794","0.0017","11.021","0.002","43.175","0.009","90","","91","0.03","90","","4129.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 B10 N -","- C17 H25 B10 N -","- C136 H200 B80 N8 -","8","2","","Taylor, Jesse; Vargas, Wilda; Torvisco, Ana; Ruhlandt-Senge, Karin; Spencer, James T.","Synthesis and characterization of cyano-substituted carborane-based compounds. Molecular structure of [1-(4-C(7)H(7))-12-(C(5)H(3)-3-(CN)-3,4-(CH(3))(2))-C(2)B(10)H(10)].","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10585","10591","10.1039/c1dt10726g","","","0.71073","MoKα","","0.0933","0.0729","","","0.1471","0.1573","","","","","","1.18","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016789","20.64","0.01","13.514","0.008","11.361","0.007","90","","90","","90","","3169","3","213","","213","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H20 Cl2 F6 Fe2 O4 S2 -","- C30 H18 Cl2 F6 Fe2 O4 S2 -","- C120 H72 Cl8 F24 Fe8 O16 S8 -","4","0.5","","Motoyama, Keiko; Li, Huifang; Koike, Takashi; Hatakeyama, Makoto; Yokojima, Satoshi; Nakamura, Shinichiro; Akita, Munetaka","Photo- and electro-chromic organometallics with dithienylethene (DTE) linker, L(2)CpM-DTE-MCpL(2): Dually stimuli-responsive molecular switch.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10643","10657","10.1039/c1dt10727e","","","0.7107","MoKα","","","0.058","","","","0.2261","","","","","","1.924","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016790","10.8074","0.0018","11.2063","0.0019","12.978","0.002","97.203","0.008","98.033","0.009","114.204","0.006","1390.2","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 F6 Fe2 O4 S2 -","- C29 H18 F6 Fe2 O4 S2 -","- C58 H36 F12 Fe4 O8 S4 -","2","1","","Motoyama, Keiko; Li, Huifang; Koike, Takashi; Hatakeyama, Makoto; Yokojima, Satoshi; Nakamura, Shinichiro; Akita, Munetaka","Photo- and electro-chromic organometallics with dithienylethene (DTE) linker, L(2)CpM-DTE-MCpL(2): Dually stimuli-responsive molecular switch.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10643","10657","10.1039/c1dt10727e","","","0.71073","MoKα","","0.0764","0.06","","","0.1711","0.1801","","","","","","1.107","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016791","21.566","0.009","8.579","0.003","38.08","0.02","90","","102.99","0.02","90","","6865","5","213","","213","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H70 F6 Fe2 P4 S2 -","- C79 H62 F6 Fe2 P4 S2 -","- C316 H248 F24 Fe8 P16 S8 -","4","0.5","","Motoyama, Keiko; Li, Huifang; Koike, Takashi; Hatakeyama, Makoto; Yokojima, Satoshi; Nakamura, Shinichiro; Akita, Munetaka","Photo- and electro-chromic organometallics with dithienylethene (DTE) linker, L(2)CpM-DTE-MCpL(2): Dually stimuli-responsive molecular switch.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10643","10657","10.1039/c1dt10727e","","","0.7107","MoKα","","","0.0473","","","","0.1471","","","","","","0.765","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016792","9.1297","0.0012","13.572","0.003","18.309","0.004","101.002","0.005","103.323","0.011","98.326","0.012","2124.3","0.7","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 Cl2 F6 Fe2 O4 S2 -","- C40 H40 Cl2 F6 Fe2 O4 S2 -","- C80 H80 Cl4 F12 Fe4 O8 S4 -","2","1","","Motoyama, Keiko; Li, Huifang; Koike, Takashi; Hatakeyama, Makoto; Yokojima, Satoshi; Nakamura, Shinichiro; Akita, Munetaka","Photo- and electro-chromic organometallics with dithienylethene (DTE) linker, L(2)CpM-DTE-MCpL(2): Dually stimuli-responsive molecular switch.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10643","10657","10.1039/c1dt10727e","","","0.71075","MoKα","","0.0877","0.0577","","","0.1537","0.1688","","","","","","0.942","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016793","11.8045","0.0019","14.196","0.003","16.925","0.002","97.361","0.007","105.434","0.008","93.453","0.005","2698.2","0.8","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H44 Cl2 F6 O2 P2 Ru2 S2 -","- C54 H44 Cl2 F6 O2 P2 Ru2 S2 -","- C108 H88 Cl4 F12 O4 P4 Ru4 S4 -","2","1","","Motoyama, Keiko; Li, Huifang; Koike, Takashi; Hatakeyama, Makoto; Yokojima, Satoshi; Nakamura, Shinichiro; Akita, Munetaka","Photo- and electro-chromic organometallics with dithienylethene (DTE) linker, L(2)CpM-DTE-MCpL(2): Dually stimuli-responsive molecular switch.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10643","10657","10.1039/c1dt10727e","","","0.71075","MoKα","","0.157","0.08","","","0.2013","0.2244","","","","","","1.036","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016794","11.5536","0.0002","18.5617","0.0003","8.6213","0.0002","90","","90","","90","","1848.88","0.06","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H30 N4 Pt -","- C17 H30 N4 Pt -","- C68 H120 N16 Pt4 -","4","1","","Jamali, Sirous; Milić, Dalibor; Kia, Reza; Mazloomi, Zahra; Abdolahi, Hallimeh","Organoplatinum(ii) complexes containing chelating or bridging bis(N-heterocyclic carbene) ligands: formation of a platinum(ii) carbonate complex by aerial CO(2) fixation.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9362","9365","10.1039/c1dt10736d","","","0.71073","MoKα","","0.0309","0.0218","","","0.0419","0.0432","","","","","","1.055","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016795","8.8501","0.0002","17.2896","0.0004","13.1079","0.0002","90","","94.015","0.002","90","","2000.78","0.07","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N4 O6 Pt -","- C16 H30 N4 O6 Pt -","- C64 H120 N16 O24 Pt4 -","4","1","","Jamali, Sirous; Milić, Dalibor; Kia, Reza; Mazloomi, Zahra; Abdolahi, Hallimeh","Organoplatinum(ii) complexes containing chelating or bridging bis(N-heterocyclic carbene) ligands: formation of a platinum(ii) carbonate complex by aerial CO(2) fixation.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9362","9365","10.1039/c1dt10736d","","","0.7107","MoKα","","0.0622","0.0386","","","0.0698","0.0727","","","","","","1.004","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016796","9.836","0.0003","12.2936","0.0004","13.7271","0.0004","74.311","0.003","85.741","0.002","79.721","0.003","1571.8","0.09","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C47 H94 Ag2 Br2 N8 O3 Pt4 S2 -","- C47 H94 Ag2 Br2 N8 O3 Pt4 S2 -","- C47 H94 Ag2 Br2 N8 O3 Pt4 S2 -","1","0.5","","Jamali, Sirous; Milić, Dalibor; Kia, Reza; Mazloomi, Zahra; Abdolahi, Hallimeh","Organoplatinum(ii) complexes containing chelating or bridging bis(N-heterocyclic carbene) ligands: formation of a platinum(ii) carbonate complex by aerial CO(2) fixation.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9362","9365","10.1039/c1dt10736d","","","0.71073","MoKα","","0.0457","0.0279","","","0.0486","0.0507","","","","","","0.871","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016797","13.277","0.005","8.466","0.003","28.869","0.011","90","","95.71","0.008","90","","3229","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*Rh(C,C)I (3)","","","- C34 H45 I N3 Rh -","- C34 H45 I N3 Rh -","- C136 H180 I4 N12 Rh4 -","4","1","","Cross, Warren B.; Daly, Christopher G.; Boutadla, Youcef; Singh, Kuldip","Variable coordination of amine functionalised N-heterocyclic carbene ligands to Ru, Rh and Ir: C-H and N-H activation and catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9722","9730","10.1039/c1dt10753d","","","0.71073","MoKα","","0.0907","0.0599","","","0.1103","0.1242","","","","","","0.922","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016798","13.219","0.004","8.444","0.003","29.021","0.009","90","","95.654","0.005","90","","3223.6","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*Ir(C,C)I (4)","","","- C34 H45 I Ir N3 -","- C34 H45 I Ir N3 -","- C136 H180 I4 Ir4 N12 -","4","1","","Cross, Warren B.; Daly, Christopher G.; Boutadla, Youcef; Singh, Kuldip","Variable coordination of amine functionalised N-heterocyclic carbene ligands to Ru, Rh and Ir: C-H and N-H activation and catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9722","9730","10.1039/c1dt10753d","","","0.71073","MoKα","","0.0615","0.0487","","","0.1305","0.137","","","","","","1.049","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016799","11.772","0.006","14.552","0.007","16.056","0.008","77.716","0.009","88.809","0.009","85.046","0.01","2677","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[(p-cymene)Ru(C,NH2)I]I (5)","","","- C26.5 H39.5 Cl1.5 I2 N3 O Ru -","- C22 H29 I2 N3 Ru -","- C88 H116 I8 N12 Ru4 -","4","2","","Cross, Warren B.; Daly, Christopher G.; Boutadla, Youcef; Singh, Kuldip","Variable coordination of amine functionalised N-heterocyclic carbene ligands to Ru, Rh and Ir: C-H and N-H activation and catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9722","9730","10.1039/c1dt10753d","","","0.71073","MoKα","","0.1308","0.0684","","","0.1444","0.1635","","","","","","0.869","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016800","9.43","0.003","11.745","0.004","29.671","0.01","89.104","0.008","86.111","0.008","75.463","0.007","3173.7","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cp*Rh(C,NH2)I]I (6)","","","- C27.5 H41 Cl11 I2 N3 Rh -","- C22 H30 I2 N3 Rh -","- C88 H120 I8 N12 Rh4 -","4","2","","Cross, Warren B.; Daly, Christopher G.; Boutadla, Youcef; Singh, Kuldip","Variable coordination of amine functionalised N-heterocyclic carbene ligands to Ru, Rh and Ir: C-H and N-H activation and catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9722","9730","10.1039/c1dt10753d","","","0.71073","MoKα","","0.1193","0.084","","","0.2165","0.2301","","","","","","0.937","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016801","9.218","0.003","10.812","0.003","11.389","0.004","75.863","0.005","78.648","0.005","86.6","0.005","1079.1","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Cp*Ir(C,NH)I (7)","","","- C22 H29 I Ir N3 -","- C22 H29 I Ir N3 -","- C44 H58 I2 Ir2 N6 -","2","1","","Cross, Warren B.; Daly, Christopher G.; Boutadla, Youcef; Singh, Kuldip","Variable coordination of amine functionalised N-heterocyclic carbene ligands to Ru, Rh and Ir: C-H and N-H activation and catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9722","9730","10.1039/c1dt10753d","","","0.71073","MoKα","","0.0612","0.0471","","","0.0963","0.1008","","","","","","1.012","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016802","16.957","0.003","10.36","0.002","21.186","0.004","90","","110.741","0.004","90","","3480.6","1.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cp*Ir(C,NH2)I][CF3CO2] (8)","","","- C49 H90 F3 I Ir N3 O2 -","- C24 H30 F3 I Ir N3 O2 -","- C96 H120 F12 I4 Ir4 N12 O8 -","4","1","","Cross, Warren B.; Daly, Christopher G.; Boutadla, Youcef; Singh, Kuldip","Variable coordination of amine functionalised N-heterocyclic carbene ligands to Ru, Rh and Ir: C-H and N-H activation and catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9722","9730","10.1039/c1dt10753d","","","0.71073","MoKα","","0.0949","0.0541","","","0.1052","0.1136","","","","","","0.795","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016803","11.598","0.0003","15.2119","0.0004","17.2447","0.0005","106.718","0.002","99.364","0.002","104.284","0.002","2732.79","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Ni hydrozone complex","Ni hydrozone complex","","- C33 H27 N2 Ni O2 P -","- C33 H27 N2 Ni O2 P -","- C132 H108 N8 Ni4 O8 P4 -","4","2","","Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Effect of substitution and planarity of the ligand on DNA/BSA interaction, free radical scavenging and cytotoxicity of diamagnetic Ni(ii) complexes: A systematic investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9690","9702","10.1039/c1dt10767d","","","0.71073","MoKα","","0.0924","0.0453","","","0.1054","0.1302","","","","","","1.016","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016804","10.2703","0.001","11.8729","0.0011","11.9851","0.0011","81.516","0.002","68.128","0.002","89.718","0.002","1339.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 N2 Ni O2 P -","- C33 H27 N2 Ni O2 P -","- C66 H54 N4 Ni2 O4 P2 -","2","1","","Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Effect of substitution and planarity of the ligand on DNA/BSA interaction, free radical scavenging and cytotoxicity of diamagnetic Ni(ii) complexes: A systematic investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9690","9702","10.1039/c1dt10767d","","","0.71075","MoKα","","0.0584","0.0489","","","0.1179","0.1248","","","","","","1.072","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016805","15.778","0.002","8.8459","0.0014","20.488","0.003","90","","98.896","0.009","90","","2825.1","0.7","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N2 Ni O2 P -","- C36 H27 N2 Ni O2 P -","- C144 H108 N8 Ni4 O8 P4 -","4","1","","Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Effect of substitution and planarity of the ligand on DNA/BSA interaction, free radical scavenging and cytotoxicity of diamagnetic Ni(ii) complexes: A systematic investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9690","9702","10.1039/c1dt10767d","","","1.54178","CuKα","","0.0548","0.0384","","","0.0906","0.096","","","","","","1.052","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016806","13.9371","0.0001","15.6806","0.0001","16.265","0.0001","72.1801","0.0003","83.7171","0.0003","70.2194","0.0003","3184.31","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H168 Mo4 O24 S8 -","- C116 H168 Mo4 O24 S8 -","- C116 H168 Mo4 O24 S8 -","1","0.5","","Alberding, Brian G.; Chisholm, Malcolm H.; Lear, Benjamin J.; Naseri, Vesal; Reed, Carly R.","Synthesis and characterization of trans-M(2)(T(i)PB)(2)(O(2)C-CH[double bond, length as m-dash]CH-2-C(4)H(3)S)(2) (M = Mo or W) and comments on the metal-to-ligand charge transfer bands in MM quadruply bonded complexes of the type trans-M(2)(T(i)PB)(2)L(2), where T(i)PB = 2,4,6-triisopropylbenzoate and L = π-accepting carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10658","10663","10.1039/c1dt10788g","","","0.71073","MoKα","","0.0568","0.0479","","","0.1202","0.1262","","","","","","1.035","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016807","9.271","0.002","18.088","0.006","27.541","0.009","90","","105.64","0.02","90","","4447","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H49 N5 O2 P2 Pd -","- C48.5 H49 N5 O2 P2 Pd -","- C194 H196 N20 O8 P8 Pd4 -","4","1","","Kauf, Thomas; Braunstein, Pierre","Contrasting behaviour of TCNE and TCNQ zwitterionic benzoquinonemonoimine derivatives and coordination of a tricyanoethenyl substituent to Pd(0).","Dalton transactions (Cambridge, England : 2003)","2011","40","39","9967","9970","10.1039/c1dt10804b","","x-ray","0.71073","MoKα","","0.1226","0.0704","","","0.1578","0.1843","","","","","","1.081","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016808","23.847","0.005","11.39","0.002","8.9114","0.0018","90","","93.32","0.03","90","","2416.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H52 Cu3 N6 O32 -","- C24 H22 Cu3 N6 O32 -","- C48 H44 Cu6 N12 O64 -","2","0.25","","Li, Huijun; Yao, Hongchang; Zhang, Erpeng; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Crystal structures and magnetism of infinite alternating chains arranged by paddle-wheel dinuclear copper and mononuclear copper units.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9388","9393","10.1039/c1dt10822k","","","0.71073","MoKα","","0.0898","0.0842","","","0.2147","0.2197","","","","","","1.094","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016809","23.65","0.03","11.709","0.016","12.626","0.017","90","","105.079","0.017","90","","3376","8","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H40 Cu3 N6 O26 -","- C24 H24 Cu3 N6 O24 -","- C48 H48 Cu6 N12 O48 -","2","0.25","","Li, Huijun; Yao, Hongchang; Zhang, Erpeng; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Crystal structures and magnetism of infinite alternating chains arranged by paddle-wheel dinuclear copper and mononuclear copper units.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9388","9393","10.1039/c1dt10822k","","","0.71073","MoKα","","0.1262","0.0675","","","0.1972","0.22","","","","","","0.926","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016810","14.2721","0.0008","12.2456","0.0007","13.117","0.0007","90","","97.28","0.001","90","","2274","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Octacarbonyl-(mu-hydrido)-(mu-(hydrogen-bis-(oxo-thien-2-yl- methylidene)))-di-rhenium","Octacarbonyl-(μ-hydrido)-(μ-(hydrogen-bis- (oxo-thien-2-yl-methylidene)))-di-rhenium","","- C18 H8 O10 Re2 S2 -","- C18 H8 O10 Re2 S2 -","- C72 H32 O40 Re8 S8 -","4","1","","Lotz, Simon; Landman, Marilé; Olivier, Andrew J.; Bezuidenhout, Daniela I.; Liles, David C.; Palmer, Eric R.","Rhenium ethoxy- and hydroxycarbene complexes with thiophene substituents.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9394","9403","10.1039/c1dt10824g","","","0.71073","MoKα","","0.0209","0.0179","","","0.0451","0.0466","","","","","","1.077","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016811","9.5491","0.0006","13.014","0.0008","16.4648","0.001","90","","101.206","0.001","90","","2007.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","nonacarbonyl-(ethoxy-thien-2-yl-methylidene)-di-rhenium","","- C16 H8 O10 Re2 S -","- C16 H8 O10 Re2 S -","- C64 H32 O40 Re8 S4 -","4","1","","Lotz, Simon; Landman, Marilé; Olivier, Andrew J.; Bezuidenhout, Daniela I.; Liles, David C.; Palmer, Eric R.","Rhenium ethoxy- and hydroxycarbene complexes with thiophene substituents.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9394","9403","10.1039/c1dt10824g","","","0.71073","MoKα","","0.0297","0.0274","","","0.069","0.0705","","","","","","1.127","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016812","12.3975","0.0016","12.4762","0.0016","13.803","0.0018","112.639","0.001","105.394","0.001","98.378","0.001","1824.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Thiophene-2,5-bis((ethoxymethylidene)-(nonacarbonyl)-dirhenium)","","- C28 H12 O20 Re4 S -","- C28 H12 O20 Re4 S -","- C56 H24 O40 Re8 S2 -","2","1","","Lotz, Simon; Landman, Marilé; Olivier, Andrew J.; Bezuidenhout, Daniela I.; Liles, David C.; Palmer, Eric R.","Rhenium ethoxy- and hydroxycarbene complexes with thiophene substituents.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9394","9403","10.1039/c1dt10824g","","","0.71073","MoKα","","0.054","0.0475","","","0.1239","0.1321","","","","","","1.041","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016813","9.5208","0.0008","13.1481","0.0011","20.6062","0.0017","90","","101.041","0.001","90","","2531.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Nonacarbonyl-(ethoxy-(2,2'-bis(thien-4-yl)-4'-aldehyde)-methylidene)-dirhenium","","- C21 H10 O11 Re2 S2 -","- C21 H10 O11 Re2 S2 -","- C84 H40 O44 Re8 S8 -","4","1","","Lotz, Simon; Landman, Marilé; Olivier, Andrew J.; Bezuidenhout, Daniela I.; Liles, David C.; Palmer, Eric R.","Rhenium ethoxy- and hydroxycarbene complexes with thiophene substituents.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9394","9403","10.1039/c1dt10824g","","","0.71073","MoKα","","0.0266","0.0244","","","0.0623","0.0637","","","","","","1.165","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016814","14.5991","0.0004","6.25969","0.00012","12.054","0.0004","90","","90","","90","","1101.56","0.05","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H2 Ag4 O8 -","- C10 H2 Ag4 O8 -","- C40 H8 Ag16 O32 -","4","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Liang, Ran; Hou, Hong-Wei; Wu, Yang-Jie; Mak, Thomas C. W.","Syntheses, structures and properties of silver-organic frameworks constructed with 1,2,3,4-benzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10071","10081","10.1039/c1dt10830a","","","0.71073","MoKα","","0.0293","0.0272","","","0.0649","0.0655","","","","","","1.081","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016815","14.6049","0.0011","17.4423","0.0012","22.581","0.0011","90","","107.2","0.007","90","","5495.1","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H108 Ag9 N17 O38 -","- C100 H108 Ag9 N17 O38 -","- C200 H216 Ag18 N34 O76 -","2","0.5","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Liang, Ran; Hou, Hong-Wei; Wu, Yang-Jie; Mak, Thomas C. W.","Syntheses, structures and properties of silver-organic frameworks constructed with 1,2,3,4-benzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10071","10081","10.1039/c1dt10830a","","","0.71073","MoKα","","0.0592","0.039","","","0.103","0.1105","","","","","","1.042","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016816","24.8903","0.0007","17.4034","0.0004","22.5431","0.0003","90","","94.825","0.002","90","","9730.5","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C180 H190 Ag16 N28 O67 -","- C180 H190 Ag16 N28 O67 -","- C360 H380 Ag32 N56 O134 -","2","0.5","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Liang, Ran; Hou, Hong-Wei; Wu, Yang-Jie; Mak, Thomas C. W.","Syntheses, structures and properties of silver-organic frameworks constructed with 1,2,3,4-benzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10071","10081","10.1039/c1dt10830a","","","0.71073","MoKα","","0.0691","0.0413","","","0.0964","0.1052","","","","","","1.079","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016817","11.3486","0.0008","14.1073","0.0018","17.514","0.002","90","","90","","90","","2804","0.5","296","","296","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C30 H20 Ag4 N4 O9 -","- C30 H20 Ag4 N4 O9 -","- C120 H80 Ag16 N16 O36 -","4","0.5","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Liang, Ran; Hou, Hong-Wei; Wu, Yang-Jie; Mak, Thomas C. W.","Syntheses, structures and properties of silver-organic frameworks constructed with 1,2,3,4-benzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10071","10081","10.1039/c1dt10830a","","","0.71073","MoKα","","0.0669","0.0474","","","0.1004","0.1093","","","","","","1.001","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016818","8.719","0.0003","10.9686","0.0006","12.2992","0.0006","97.534","0.004","97.506","0.004","99.618","0.004","1135.61","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H14 Br F3 N3 O5 Re -","- C20 H14 Br F3 N3 O5 Re -","- C40 H28 Br2 F6 N6 O10 Re2 -","2","1","","Ng, Chi-On; Lai, Sze-Wing; Feng, Hua; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent rhenium(i) complexes with acetylamino- and trifluoroacetylamino-containing phenanthroline ligands: Anion-sensing study.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10020","10028","10.1039/c1dt10831j","","","1.5418","CuKα","","0.0298","0.0278","","","0.0781","0.0791","","","","","","1.089","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016819","9.8448","0.0004","11.4164","0.0004","11.422","0.0004","91.653","0.003","103.786","0.003","113.694","0.003","1130.4","0.08","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 F3 N4 O5 Re -","- C21 H14 F3 N4 O5 Re -","- C42 H28 F6 N8 O10 Re2 -","2","1","","Ng, Chi-On; Lai, Sze-Wing; Feng, Hua; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent rhenium(i) complexes with acetylamino- and trifluoroacetylamino-containing phenanthroline ligands: Anion-sensing study.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10020","10028","10.1039/c1dt10831j","","","1.5418","CuKα","","0.0286","0.0283","","","0.0789","0.0791","","","","","","1.175","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016820","7.4454","0.0002","12.9411","0.0002","13.0901","0.0003","118.902","0.002","99.42","0.002","93.226","0.002","1075.81","0.05","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Br N3 O5 Re -","- C20 H17 Br N3 O5 Re -","- C40 H34 Br2 N6 O10 Re2 -","2","1","","Ng, Chi-On; Lai, Sze-Wing; Feng, Hua; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent rhenium(i) complexes with acetylamino- and trifluoroacetylamino-containing phenanthroline ligands: Anion-sensing study.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10020","10028","10.1039/c1dt10831j","","","0.7107","MoKα","","0.0196","0.0179","","","0.0421","0.0429","","","","","","1.106","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016821","8.2395","0.0003","18.8039","0.0008","21.5491","0.0008","69.356","0.004","89.001","0.003","87.549","0.004","3121.5","0.2","133","2","133","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 F3 N4 O2 -","- C30 H45 F3 N4 O2 -","- C120 H180 F12 N16 O8 -","4","2","","Ng, Chi-On; Lai, Sze-Wing; Feng, Hua; Yiu, Shek-Man; Ko, Chi-Chiu","Luminescent rhenium(i) complexes with acetylamino- and trifluoroacetylamino-containing phenanthroline ligands: Anion-sensing study.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10020","10028","10.1039/c1dt10831j","","","1.5418","CuKα","","0.061","0.0498","","","0.1377","0.1467","","","","","","1.104","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016822","13.2867","0.0002","13.6636","0.0002","19.0656","0.0003","98.34","0.001","94.964","0.001","117.181","0.001","3000.2","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H60 Cl4 I2 N4 O4 Pd -","- C66 H60 Cl4 I2 N4 O4 Pd -","- C132 H120 Cl8 I4 N8 O8 Pd2 -","2","1","","Brenner, Eric; Matt, Dominique; Henrion, Mickaël; Teci, Matthieu; Toupet, Loïc","Calix[4]arenes with one and two N-linked imidazolium units as precursors of N-heterocyclic carbene complexes. Coordination chemistry and use in Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9889","9898","10.1039/c1dt10838g","","","0.71073","MoKα","","0.0369","0.0266","","","0.0671","0.0689","","","","","","0.952","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016823","21.6895","0.0004","21.7815","0.0003","23.3319","0.0004","90","","106.156","0.002","90","","10587.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C127.5 H119 Br2 N4 O8 Pd -","- C127.5 H119 Br2 N4 O8 Pd -","- C510 H476 Br8 N16 O32 Pd4 -","4","1","","Brenner, Eric; Matt, Dominique; Henrion, Mickaël; Teci, Matthieu; Toupet, Loïc","Calix[4]arenes with one and two N-linked imidazolium units as precursors of N-heterocyclic carbene complexes. Coordination chemistry and use in Suzuki-Miyaura cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9889","9898","10.1039/c1dt10838g","","","0.71073","MoKα","","0.1037","0.0383","","","0.0783","0.0863","","","","","","0.799","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016824","7.3762","0.0002","11.7494","0.0003","17.3553","0.0004","90","","92.2428","0.0018","90","","1502.96","0.07","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","RuCp*(C5H5B-CN)","","","- C16 H20 B N Ru -","- C16 H20 B N Ru -","- C64 H80 B4 N4 Ru4 -","4","1","","Cade, Ian A.; Hill, Anthony F.","1-Borabenzonitrile (B-cyanoboratabenzene).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10563","10567","10.1039/c1dt10849b","","","0.71073","MoKα","","0.0573","0.0296","","0.1328","0.0878","0.1328","","","","","","0.9137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016825","9.6193","0.0004","9.6193","0.0004","30.8153","0.0009","90","","90","","90","","2851.37","0.19","200","","200","","","","","","","","Research School of Chemistry","4","P 41","P 4w","76","RuCp*(C5H5B-CN)","","","- C28 H47 B N2 -","- C28 H47 B N2 -","- C112 H188 B4 N8 -","4","1","","Cade, Ian A.; Hill, Anthony F.","1-Borabenzonitrile (B-cyanoboratabenzene).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10563","10567","10.1039/c1dt10849b","","","0.71073","MoKα","","0.0938","0.0398","","0.1018","0.0892","0.1018","","","","","","0.8728","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016826","6.9087","0.0004","10.8143","0.0007","15.7231","0.0009","101.526","0.003","97.418","0.003","91.407","0.003","1139.86","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N3 O2 Pd -","- C25 H29 N3 O2 Pd -","- C50 H58 N6 O4 Pd2 -","2","1","","Deibel, Naina; Schweinfurth, David; Fiedler, Jan; Záliš, Stanislav; Sarkar, Biprajit","Isomeric separation in donor-acceptor systems of Pd(ii) and Pt(ii) and a combined structural, electrochemical and spectroelectrochemical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9925","9934","10.1039/c1dt10856e","","x-ray","0.71073","MoKα","","0.0934","0.0811","","","0.2128","0.2214","","","","","","1.034","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016827","14.042","0.003","17.191","0.004","19.791","0.004","100.276","0.004","102.308","0.004","94.709","0.004","4556.8","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H77 Cd4 Fe N7 S10 -","- C98 H77 Cd4 Fe N7 S10 -","- C196 H154 Cd8 Fe2 N14 S20 -","2","1","","Jiang, Jian-Bing; Bian, Guo-Qing; Zhang, Ya-Ping; Luo, Wen; Zhu, Qin-Yu; Dai, Jie","Anion-cation charge-transfer properties and spectral studies of [M(phen)(3)][Cd(4)(SPh)(10)] (M = Ru, Fe, and Ni).","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9551","9556","10.1039/c1dt10860c","","","0.7107","MoKα","","0.0826","0.0573","","","0.1493","0.1688","","","","","","1.023","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016828","14.134","0.002","17.186","0.003","19.929","0.004","100.749","0.003","102.611","0.004","94.427","0.003","4606","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H76 Cd4 N6 Ni O S10 -","- C96 H74 Cd4 N6 Ni O S10 -","- C192 H148 Cd8 N12 Ni2 O2 S20 -","2","1","","Jiang, Jian-Bing; Bian, Guo-Qing; Zhang, Ya-Ping; Luo, Wen; Zhu, Qin-Yu; Dai, Jie","Anion-cation charge-transfer properties and spectral studies of [M(phen)(3)][Cd(4)(SPh)(10)] (M = Ru, Fe, and Ni).","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9551","9556","10.1039/c1dt10860c","","","0.7107","MoKα","","0.0887","0.0556","","","0.1078","0.1234","","","","","","0.937","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016829","14.113","0.003","17.255","0.003","19.907","0.004","100.389","0.005","102.841","0.006","94.35","0.004","4614.9","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H77 Cd4 N7 O0 Ru S10 -","- C98 H77 Cd4 N7 Ru S10 -","- C196 H154 Cd8 N14 Ru2 S20 -","2","1","","Jiang, Jian-Bing; Bian, Guo-Qing; Zhang, Ya-Ping; Luo, Wen; Zhu, Qin-Yu; Dai, Jie","Anion-cation charge-transfer properties and spectral studies of [M(phen)(3)][Cd(4)(SPh)(10)] (M = Ru, Fe, and Ni).","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9551","9556","10.1039/c1dt10860c","","","0.7107","MoKα","","0.1377","0.0812","","","0.1282","0.1508","","","","","","1.147","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016830","8.101","0.0007","10.8845","0.0009","17.6635","0.0015","90","","94.607","0.004","90","","1552.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O4 Se -","- C18 H16 O4 Se -","- C72 H64 O16 Se4 -","4","1","","Selvakumar, K.; Singh, Harkesh B.; Goel, Nidhi; Singh, Udai P.; Butcher, Ray J.","Synthesis and structural characterization of pincer type bicyclic diacyloxy- and diazaselenuranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9858","9867","10.1039/c1dt10862j","","","0.71073","MoKα","","0.0614","0.0357","","","0.0875","0.0973","","","","","","1.024","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016831","10.01795","0.00014","24.1373","0.0002","11.14207","0.00015","90","","115.585","0.0017","90","","2430.03","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O2 Se -","- C30 H26 N2 O2 Se -","- C120 H104 N8 O8 Se4 -","4","1","","Selvakumar, K.; Singh, Harkesh B.; Goel, Nidhi; Singh, Udai P.; Butcher, Ray J.","Synthesis and structural characterization of pincer type bicyclic diacyloxy- and diazaselenuranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9858","9867","10.1039/c1dt10862j","","","1.54184","CuKα","","0.0356","0.0317","","","0.084","0.0859","","","","","","1.014","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016832","11.292","0.003","10.3574","0.0019","15.966","0.004","90","","93.061","0.008","90","","1864.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O4 Se -","- C20 H22 O4 Se -","- C80 H88 O16 Se4 -","4","1","","Selvakumar, K.; Singh, Harkesh B.; Goel, Nidhi; Singh, Udai P.; Butcher, Ray J.","Synthesis and structural characterization of pincer type bicyclic diacyloxy- and diazaselenuranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9858","9867","10.1039/c1dt10862j","","","0.71073","MoKα","","0.0395","0.0284","","","0.074","0.0789","","","","","","1.041","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016833","9.4749","0.0004","20.7654","0.0006","9.483","0.0005","90","","119.536","0.006","90","","1623.32","0.15","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O2 Se -","- C18 H22 O2 Se -","- C72 H88 O8 Se4 -","4","1","","Selvakumar, K.; Singh, Harkesh B.; Goel, Nidhi; Singh, Udai P.; Butcher, Ray J.","Synthesis and structural characterization of pincer type bicyclic diacyloxy- and diazaselenuranes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9858","9867","10.1039/c1dt10862j","","","0.71073","MoKα","","0.0934","0.0584","","","0.1337","0.1396","","","","","","1.135","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016834","14.774","0.005","15.85","0.005","23.734","0.005","90","","90","","90","","5558","3","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","((1,10-phenanthroline)di(5-amino-1-cyclopropyl-7-((3S,5R)-3,5- dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3- carboxylato-kappa$2!O,O)zinc(ii)) bis methanol solvate","[(1,10-phenanthroline)di(5-amino-1-cyclopropyl-7-((3S,5R)-3,5- dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylato- κ^2^O,O)zinc(II)] bis methanol solvate","","- C54 H66 F4 N10 O10 Zn -","- C54 H66 F4 N10 O10 Zn -","- C216 H264 F16 N40 O40 Zn4 -","4","0.5","","Tarushi, Alketa; Polatoglou, Eleni; Kljun, Jakob; Turel, Iztok; Psomas, George; Kessissoglou, Dimitris P.","Interaction of Zn(ii) with quinolone drugs: Structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9461","9473","10.1039/c1dt10870k","","","0.71073","MoKα","","0.0848","0.0517","","","0.1255","0.1457","","","","","","1.051","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016835","10.97","0.005","9.739","0.005","17.92","0.005","90","","98.158","0.005","90","","1895.1","1.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","trans-(diaquadi((S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1- yl)-7-oxo-3,7-dihydro-2H-(1,4)oxazino(2,3,4-ij)quinoline-6-carboxylato- kappa$2!O,O)zinc(ii)) dihydrate","trans-[diaquadi((S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7- dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylato-κ^2^O,O)zinc(II)] dihydrate","","- C36 H46 F2 N6 O12 Zn -","- C36 H46 F2 N6 O12 Zn -","- C72 H92 F4 N12 O24 Zn2 -","2","1","","Tarushi, Alketa; Polatoglou, Eleni; Kljun, Jakob; Turel, Iztok; Psomas, George; Kessissoglou, Dimitris P.","Interaction of Zn(ii) with quinolone drugs: Structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9461","9473","10.1039/c1dt10870k","","","0.71073","MoKα","","0.058","0.0431","","","0.1022","0.1155","","","","","","0.968","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016836","10.5989","0.0014","11.003","0.0015","16.273","0.002","91.19","0.002","96.561","0.002","115.555","0.002","1695.7","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H60 In N9 -","- C27 H60 In N9 -","- C54 H120 In2 N18 -","2","1","","Barry, Seán T; Gordon, Peter G.; Ward, Matthew J.; Heikkila, Mikko J.; Monillas, Wesley H.; Yap, Glenn P. A.; Ritala, Mikko; Leskelä, Markku","Chemical vapour deposition of In(2)O(3) thin films from a tris-guanidinate indium precursor.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9425","9430","10.1039/c1dt10877h","","","0.71073","MoKα","","0.042","0.035","","","0.0797","0.0892","","","","","","1.006","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016837","8.4059","0.0004","4.8128","0.0004","17.6696","0.001","90","","92.275","0.004","90","","714.28","0.08","100","","100","","","","","","","","see paper","4","P 1 21 1","P 2yb","4","Title","Title","","- C14 H20 N4 S -","- C14 H20 N4 S -","- C28 H40 N8 S2 -","2","1","","Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian","Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9810","9820","10.1039/c1dt10885a","","","0.71073","MoKα","","0.0476","0.0407","","","0.0978","0.1025","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016838","12.7398","0.0004","9.0666","0.0004","26.1314","0.0012","90","","90","","90","","3018.4","0.2","200","","199.85","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 Se -","- C14 H20 N4 Se -","- C112 H160 N32 Se8 -","8","1","","Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian","Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9810","9820","10.1039/c1dt10885a","","","0.7107","MoKα","","0.076","0.0347","","","0.081","0.0866","","","","","","0.888","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016839","11.6538","0.0002","18.3046","0.0003","21.4734","0.0004","90","","92.6764","0.0015","90","","4575.67","0.14","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Au2 N8 P2 S2 -","- C46 H48 Au2 N8 P2 S2 -","- C184 H192 Au8 N32 P8 S8 -","4","0.5","","Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian","Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9810","9820","10.1039/c1dt10885a","","","0.7107","MoKα","","0.0497","0.0339","","","0.0767","0.0794","","","","","","1.086","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016840","8.1598","0.0003","11.3329","0.0006","13.6971","0.0006","104.614","0.004","100.524","0.003","101.158","0.004","1166.19","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Au2 N6 P2 S4 -","- C46 H48 Au2 N6 P2 S4 -","- C46 H48 Au2 N6 P2 S4 -","1","0.5","","Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian","Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9810","9820","10.1039/c1dt10885a","","","0.7107","MoKα","","0.0288","0.0234","","","0.0484","0.0492","","","","","","0.994","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016841","23.6881","0.0005","12.9308","0.0003","18.0223","0.0004","90","","99.015","0.002","90","","5452.1","0.2","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Au N4 P S -","- C28 H28 Au N4 P S -","- C224 H224 Au8 N32 P8 S8 -","8","1","","Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian","Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9810","9820","10.1039/c1dt10885a","","","0.7107","MoKα","","0.0861","0.0405","","","0.079","0.0857","","","","","","0.873","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016842","11.4658","0.0002","11.476","0.0002","12.2708","0.0002","101.554","0.001","100.561","0.001","106.828","0.001","1463.18","0.05","100","","100","","","","","","","","CH2Cl2/Et2O","7","P -1","-P 1","2","","","","- C62 H66 Au2 Fe N8 P2 Se2 -","- C62 H66 Au2 Fe N8 P2 Se2 -","- C62 H66 Au2 Fe N8 P2 Se2 -","1","0.5","","Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian","Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9810","9820","10.1039/c1dt10885a","","","0.71073","MoKα","","0.03","0.0259","","","0.0613","0.0631","","","","","","1.043","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016843","9.3466","0.0005","14.2468","0.0007","15.4849","0.0008","90","","99.456","0.001","90","","2033.94","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl4 N3 -","- C21 H15 Cl4 N3 -","- C84 H60 Cl16 N12 -","4","1","","Sieh, Daniel; Schöffel, Julia; Burger, Peter","Synthesis of a chloro protected iridium nitrido complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9512","9524","10.1039/c1dt10886g","","","0.71073","MoKα","","0.052","0.0352","","","0.0822","0.0873","","","","","","0.972","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016844","9.7883","0.0002","10.4967","0.0002","26.4832","0.0005","90","","98.09","0.001","90","","2693.93","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Cl5 N3 O Rh -","- C25 H23 Cl5 N3 O Rh -","- C100 H92 Cl20 N12 O4 Rh4 -","4","1","","Sieh, Daniel; Schöffel, Julia; Burger, Peter","Synthesis of a chloro protected iridium nitrido complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9512","9524","10.1039/c1dt10886g","","","0.71073","MoKα","","0.0249","0.0221","","","0.0512","0.0534","","","","","","1.049","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016845","11.557","0.009","19.363","0.015","13.696","0.011","90","","105.86","0.013","90","","2948","4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl9 Ir N3 -","- C23 H19 Cl9 Ir N3 -","- C92 H76 Cl36 Ir4 N12 -","4","1","","Sieh, Daniel; Schöffel, Julia; Burger, Peter","Synthesis of a chloro protected iridium nitrido complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9512","9524","10.1039/c1dt10886g","","","0.71073","MoKα","","0.1217","0.0553","","","0.087","0.0999","","","","","","0.715","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016846","11.536","0.0002","19.3875","0.0004","13.7023","0.0003","90","","106.157","0.001","90","","2943.53","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl9 N3 Rh -","- C23 H19 Cl9 N3 Rh -","- C92 H76 Cl36 N12 Rh4 -","4","1","","Sieh, Daniel; Schöffel, Julia; Burger, Peter","Synthesis of a chloro protected iridium nitrido complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9512","9524","10.1039/c1dt10886g","","","0.71073","MoKα","","0.0488","0.031","","","0.0593","0.0658","","","","","","1.043","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016847","10.8214","0.0005","12.3189","0.0005","15.9789","0.0007","81.104","0.002","78.966","0.002","86.105","0.003","2063.97","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H41 Cl4 Ir N4 O Si -","- C43 H41 Cl4 Ir N4 O Si -","- C86 H82 Cl8 Ir2 N8 O2 Si2 -","2","1","","Sieh, Daniel; Schöffel, Julia; Burger, Peter","Synthesis of a chloro protected iridium nitrido complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9512","9524","10.1039/c1dt10886g","","","0.71073","MoKα","","0.0626","0.0517","","","0.1288","0.1354","","","","","","1.16","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016848","14.013","0.003","14.09","0.003","25.494","0.005","90","","101.88","0.03","90","","4925.8","1.9","373","2","373","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H45 Au2 B9 Cl2 F5 P3 -","- C46 H45 Au2 B9 Cl2 F5 P3 -","- C184 H180 Au8 B36 Cl8 F20 P12 -","4","1","","Crespo, Olga; Díez-Gil, César; Gimeno, M Concepción; Laguna, Antonio; Monge, Miguel; Ospino, Isaura","Highly emissive dinuclear complexes [Au(2){μ-(PPh(2))(2)C(2)B(9)H(10)}(C(6)F(5))(PR(3))] with different gold fragments coordinated to an anionic diphosphine.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10038","10046","10.1039/c1dt10890e","","","0.71073","MoKα","","0.0497","0.0409","","","0.0757","0.0785","","","","","","1.151","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016849","17.694","0.002","19.961","0.003","20.045","0.003","90","","100.969","0.015","90","","6950.3","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C108 H96 Ag8 Mo16 N24 O56 -","- C108 H88 Ag8 Mo16 N24 O56 -","- C216 H176 Ag16 Mo32 N48 O112 -","2","1","","Liu, Hai-Yan; Bo, Liu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Wu, Hua","Two novel inorganic-organic hybrid materials constructed from two kinds of octamolybdate clusters and flexible tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9782","9788","10.1039/c1dt10893j","","","0.71073","MoKα","","0.1031","0.0432","","","0.0644","0.0711","","","","","","0.684","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016850","11.483","0.005","15.437","0.005","24.34","0.005","89.665","0.005","84.459","0.005","71.488","0.005","4071","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H60.5 Cu3.6 Mo8 N15 O26 -","- C70 H60 Cu3.6 Mo8 N15 O26 -","- C140 H120 Cu7.2 Mo16 N30 O52 -","2","1","","Liu, Hai-Yan; Bo, Liu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Wu, Hua","Two novel inorganic-organic hybrid materials constructed from two kinds of octamolybdate clusters and flexible tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9782","9788","10.1039/c1dt10893j","","","0.71069","MoKα","","0.1247","0.042","","","0.0774","0.0925","","","","","","0.775","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016851","15.487","0.005","18.635","0.005","9.233","0.005","90","0.005","101.196","0.005","90","0.005","2613.9","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 N12 O5 -","- C54 H46 N12 O5 -","- C108 H92 N24 O10 -","2","0.5","","Liu, Hai-Yan; Bo, Liu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Wu, Hua","Two novel inorganic-organic hybrid materials constructed from two kinds of octamolybdate clusters and flexible tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9782","9788","10.1039/c1dt10893j","","","0.71069","MoKα","","0.1324","0.0657","","","0.1625","0.1878","","","","","","0.871","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016852","6.693","0.0004","9.4581","0.0004","9.7729","0.0006","71.507","0.004","71.631","0.005","87.487","0.004","555.73","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C28 H24 N6 -","1","0.5","","Liu, Hai-Yan; Bo, Liu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Wu, Hua","Two novel inorganic-organic hybrid materials constructed from two kinds of octamolybdate clusters and flexible tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9782","9788","10.1039/c1dt10893j","","","0.71073","MoKα","","0.0624","0.0403","","","0.0983","0.1034","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016853","15.6475","0.0014","9.7128","0.0008","15.3985","0.0016","90","","107.087","0.011","90","","2237","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 N3 O Si -","- C22 H25 Cl2 N3 O Si -","- C88 H100 Cl8 N12 O4 Si4 -","4","1","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9844","9857","10.1039/c1dt10898k","","","0.71073","MoKα","","0.053","0.0386","","","0.0967","0.1029","","","","","","1.066","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016854","8.1749","0.0016","9.919","0.002","14.424","0.003","94.61","0.03","102.42","0.03","95.8","0.03","1130.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Br2 N3 O Si -","- C22 H25 Br2 N3 O Si -","- C44 H50 Br4 N6 O2 Si2 -","2","1","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9844","9857","10.1039/c1dt10898k","","","0.71073","MoKα","","0.0524","0.0381","","","0.1014","0.1191","","","","","","1.077","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016855","14.657","0.002","9.7605","0.0008","15.47","0.002","90","","110.049","0.016","90","","2079","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 F2 N3 O Si -","- C22 H25 F2 N3 O Si -","- C88 H100 F8 N12 O4 Si4 -","4","1","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9844","9857","10.1039/c1dt10898k","","","0.71073","MoKα","","0.0515","0.0371","","","0.0952","0.1025","","","","","","1.04","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016856","9.309","0.0019","9.898","0.002","14.013","0.003","109.12","0.03","94.07","0.03","98.48","0.03","1196.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N9 O Si -","- C22 H25 N9 O Si -","- C44 H50 N18 O2 Si2 -","2","1","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9844","9857","10.1039/c1dt10898k","","","0.71073","MoKα","","0.0503","0.0401","","","0.104","0.1196","","","","","","1.102","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016857","8.4742","0.0017","10.239","0.002","13.933","0.003","94.55","0.03","101.63","0.03","95.44","0.03","1172.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N5 O3 Si -","- C24 H25 N5 O3 Si -","- C48 H50 N10 O6 Si2 -","2","1","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9844","9857","10.1039/c1dt10898k","","","0.71073","MoKα","","0.058","0.0429","","","0.1101","0.1236","","","","","","1.087","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016858","11.5619","0.0018","13.4356","0.0018","16.906","0.003","90","","109.346","0.018","90","","2477.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N5 O S2 Si -","- C24 H25 N5 O S2 Si -","- C96 H100 N20 O4 S8 Si4 -","4","1","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9844","9857","10.1039/c1dt10898k","","","0.71073","MoKα","","0.0657","0.0424","","","0.105","0.1159","","","","","","1.052","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016859","23.2733","0.0016","16.3163","0.001","30.8","0.003","90","","90","","90","","11695.8","1.6","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F6 N3 O7 S2 Si -","- C24 H25 F6 N3 O7 S2 Si -","- C384 H400 F96 N48 O112 S32 Si16 -","16","2","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9844","9857","10.1039/c1dt10898k","","","0.71073","MoKα","","0.0596","0.0439","","","0.1138","0.1211","","","","","","1.062","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016860","10.9237","0.0017","18.318","0.002","13.7567","0.0019","90","","111.285","0.016","90","","2564.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N3 O3 Si -","- C28 H29 N3 O3 Si -","- C112 H116 N12 O12 Si4 -","4","1","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9844","9857","10.1039/c1dt10898k","","","0.71073","MoKα","","0.0712","0.0438","","","0.1056","0.1159","","","","","","0.945","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016861","15.8006","0.0012","10.4718","0.0008","15.1299","0.0011","90","","106.942","0.001","90","","2394.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cl2 N5 Ni O9 -","- C18 H27 Cl2 N5 Ni O9 -","- C72 H108 Cl8 N20 Ni4 O36 -","4","1","","Balamurugan, Mani; Mayilmurugan, Ramasamy; Suresh, Eringathodi; Palaniandavar, Mallayan","Nickel(ii) complexes of tripodal 4N ligands as catalysts for alkane oxidation using m-CPBA as oxidant: ligand stereoelectronic effects on catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9413","9424","10.1039/c1dt10902b","","","0.71073","MoKα","","0.0558","0.0481","","","0.1126","0.1171","","","","","","1.051","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016862","20.1135","0.0016","13.4486","0.0011","23.751","0.0019","90","","110.286","0.002","90","","6026.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 B2 N7 Ni -","- C72 H72 B2 N7 Ni -","- C288 H288 B8 N28 Ni4 -","4","1","","Balamurugan, Mani; Mayilmurugan, Ramasamy; Suresh, Eringathodi; Palaniandavar, Mallayan","Nickel(ii) complexes of tripodal 4N ligands as catalysts for alkane oxidation using m-CPBA as oxidant: ligand stereoelectronic effects on catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9413","9424","10.1039/c1dt10902b","","","0.71073","MoKα","","0.1342","0.0662","","","0.1157","0.1327","","","","","","0.836","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016863","19.4952","0.0012","17.343","0.001","34.986","0.002","90","","92.537","0.001","90","","11817.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H69 B2 N7 Ni -","- C67 H69 B2 N7 Ni -","- C536 H552 B16 N56 Ni8 -","8","2","","Balamurugan, Mani; Mayilmurugan, Ramasamy; Suresh, Eringathodi; Palaniandavar, Mallayan","Nickel(ii) complexes of tripodal 4N ligands as catalysts for alkane oxidation using m-CPBA as oxidant: ligand stereoelectronic effects on catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9413","9424","10.1039/c1dt10902b","","","0.71073","MoKα","","0.1507","0.0879","","","0.1758","0.2019","","","","","","1.074","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016864","10.9038","0.0002","14.9757","0.0002","37.0413","0.0006","90","","90.766","0.001","90","","6048.01","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H73 B2 N9 Ni -","- C68 H73 B2 N9 Ni -","- C272 H292 B8 N36 Ni4 -","4","1","","Balamurugan, Mani; Mayilmurugan, Ramasamy; Suresh, Eringathodi; Palaniandavar, Mallayan","Nickel(ii) complexes of tripodal 4N ligands as catalysts for alkane oxidation using m-CPBA as oxidant: ligand stereoelectronic effects on catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9413","9424","10.1039/c1dt10902b","","","0.71073","MoKα","","0.1043","0.0489","","","0.1022","0.1227","","","","","","1.014","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016865","18.8474","0.0012","7.85","0.0005","20.6464","0.0013","90","","98.266","0.003","90","","3022.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 N4 O10 P2 Zn2 -","- C66 H70 N4 O10 P2 Zn2 -","- C132 H140 N8 O20 P4 Zn4 -","2","0.5","","Ponsico, Sergio; Gulyas, Henrik; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Zn(ii) Robson macrocycles as templates for chelating diphosphines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10686","10697","10.1039/c1dt10905g","","","0.71073","MoKα","","0.0788","0.0646","","","0.1687","0.1767","","","","","","1.156","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016866","8.4567","0.0003","34.8441","0.0009","8.4433","0.0002","90","","97.919","0.001","90","","2464.23","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 N4 O6 P2 Zn2 -","- C60 H54 N4 O6 P2 Zn2 -","- C120 H108 N8 O12 P4 Zn4 -","2","0.5","","Ponsico, Sergio; Gulyas, Henrik; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Zn(ii) Robson macrocycles as templates for chelating diphosphines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10686","10697","10.1039/c1dt10905g","","","0.71073","MoKα","","0.0413","0.0371","","","0.0947","0.0967","","","","","","1.115","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016867","18.819","0.005","6.9218","0.0016","19.998","0.005","90","","100.119","0.013","90","","2564.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 N4 O8 P2 Zn2 -","- C60 H50 N4 O8 P2 Zn2 -","- C120 H100 N8 O16 P4 Zn4 -","2","0.5","","Ponsico, Sergio; Gulyas, Henrik; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Zn(ii) Robson macrocycles as templates for chelating diphosphines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10686","10697","10.1039/c1dt10905g","","","0.71073","MoKα","","0.1543","0.0608","","","0.1452","0.1865","","","","","","0.975","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016868","8.8886","0.0014","21.225","0.004","19.39","0.003","90","","90.878","0.008","90","","3657.7","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H76 Cl8 N6 O10 P2 Zn2 -","- C70 H76 Cl8 N6 O10 P2 Zn2 -","- C140 H152 Cl16 N12 O20 P4 Zn4 -","2","0.5","","Ponsico, Sergio; Gulyas, Henrik; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Zn(ii) Robson macrocycles as templates for chelating diphosphines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10686","10697","10.1039/c1dt10905g","","","0.71073","MoKα","","0.2536","0.0915","","","0.1844","0.2497","","","","","","0.933","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016869","23.441","0.001","10.218","0.001","19.401","0.001","90","","90","","90","","4646.9","0.6","150","0.1","150","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C42 H40 Cl8 N2 O2 P2 Pd -","- C42 H40 Cl8 N2 O2 P2 Pd -","- C168 H160 Cl32 N8 O8 P8 Pd4 -","4","1","","Cao, Thi-Phuong-Anh; Labouille, Stéphanie; Auffrant, Audrey; Jean, Yves; Le Goff, Xavier F.; Le Floch, Pascal","Pd(ii) and Ni(ii) complexes featuring a ""phosphasalen"" ligand: synthesis and DFT study.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10029","10037","10.1039/c1dt10906e","","","0.71069","MoKα","","0.0564","0.0432","","","0.1104","0.1165","","","","","","1.092","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016870","14.095","0.001","9.04","0.001","16.233","0.001","90","","122.384","0.004","90","","1746.7","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C39 H34 Cl2 N2 Ni O2 P2 -","- C39 H34 Cl2 N2 Ni O2 P2 -","- C78 H68 Cl4 N4 Ni2 O4 P4 -","2","1","","Cao, Thi-Phuong-Anh; Labouille, Stéphanie; Auffrant, Audrey; Jean, Yves; Le Goff, Xavier F.; Le Floch, Pascal","Pd(ii) and Ni(ii) complexes featuring a ""phosphasalen"" ligand: synthesis and DFT study.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10029","10037","10.1039/c1dt10906e","","","0.71069","MoKα","","0.0521","0.0449","","","0.1166","0.1219","","","","","","1.044","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016871","10.5328","0.0004","33.6751","0.0015","18.5393","0.0007","90","","97.645","0.001","90","","6517.3","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Cl6 Fe2 Ni2 O4 P4 -","- C68 H56 Cl6 Fe2 Ni2 O4 P4 -","- C272 H224 Cl24 Fe8 Ni8 O16 P16 -","4","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.129","0.0827","","","0.181","0.2079","","","","","","1.048","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016872","11.122","0.0004","15.5622","0.0005","39.1918","0.0013","90","","92.465","0.001","90","","6777.1","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H60 Cl6 Cr2 Fe2 O5 P4 -","- C69 H60 Cl6 Cr2 Fe2 O5 P4 -","- C276 H240 Cl24 Cr8 Fe8 O20 P16 -","4","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.0868","0.0637","","","0.1496","0.1609","","","","","","1.057","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016873","13.3325","0.0007","18.2129","0.001","32.9846","0.0018","74.715","0.001","84.37","0.001","78.428","0.001","7560.4","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H62 Cl12 Fe4 O4 P4 -","- C71 H62 Cl12 Fe4 O4 P4 -","- C284 H248 Cl48 Fe16 O16 P16 -","4","2","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.1126","0.0824","","","0.1997","0.2151","","","","","","1.091","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016874","18.3426","0.0011","19.6446","0.0012","20.0689","0.0012","74.924","0.001","87.521","0.001","65.006","0.001","6310.3","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C68.5 H57 Cl4 Fe3 O8 P4 -","- C68.5 H57 Cl4 Fe3 O8 P4 -","- C274 H228 Cl16 Fe12 O32 P16 -","4","2","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.0991","0.0702","","","0.1615","0.1771","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016875","30.6672","0.0016","14.5893","0.0007","18.7987","0.0009","90","","121.328","0.001","90","","7184.5","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H66 Cl Fe3 I4 O6 P4 -","- C72 H66 Cl Fe3 I4 O6 P4 -","- C288 H264 Cl4 Fe12 I16 O24 P16 -","4","0.5","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.0789","0.0712","","","0.2056","0.2128","","","","","","1.045","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016876","18.9691","0.0009","13.3154","0.0006","27.6655","0.0013","90","","92.999","0.001","90","","6978.2","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H57 Cl6 Cu Fe2 O7 P4 -","- C71 H57 Cl6 Cu Fe2 O7 P4 -","- C284 H228 Cl24 Cu4 Fe8 O28 P16 -","4","0.5","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.1133","0.1046","","","0.2893","0.2941","","","","","","1.143","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016877","10.066","0.004","16.609","0.007","18.436","0.008","90","","96.426","0.009","90","","3063","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl2 Fe Mn O2 P2 -","- C34 H28 Cl2 Fe Mn O2 P2 -","- C136 H112 Cl8 Fe4 Mn4 O8 P8 -","4","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.0518","0.0408","","","0.1004","0.1056","","","","","","1.042","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016878","11.6658","0.0006","14.1127","0.0007","19.1893","0.0009","90","","92.593","0.001","90","","3156","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 Co Fe O2 P2 -","- C34 H28 Cl2 Co Fe O2 P2 -","- C136 H112 Cl8 Co4 Fe4 O8 P8 -","4","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.0513","0.0434","","","0.1004","0.1043","","","","","","1.042","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016879","10.1369","0.0006","19.6944","0.0012","16.1275","0.001","90","","91.483","0.001","90","","3218.6","0.3","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Br2 Co Fe O2 P2 -","- C34 H28 Br2 Co Fe O2 P2 -","- C136 H112 Br8 Co4 Fe4 O8 P8 -","4","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.0511","0.0442","","","0.1031","0.1072","","","","","","1.05","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016880","10.36","0.0007","20.4629","0.0013","16.0513","0.001","90","","92.8","0.002","90","","3398.7","0.4","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Co Fe I2 O2 P2 -","- C34 H28 Co Fe I2 O2 P2 -","- C136 H112 Co4 Fe4 I8 O8 P8 -","4","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.0461","0.0427","","","0.1047","0.1073","","","","","","1.041","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016881","11.3093","0.0004","18.4373","0.0007","31.0211","0.001","90","","90","","90","","6468.3","0.4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H28.5 Cl2 Fe O2.25 P2 Zn -","- C34 H28.5 Cl2 Fe O2.25 P2 Zn -","- C272 H228 Cl16 Fe8 O18 P16 Zn8 -","8","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.1051","0.0699","","","0.1472","0.1619","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016882","7.8035","0.0003","11.963","0.0005","13.6394","0.0006","100.216","0.004","102.863","0.004","90.779","0.003","1219.78","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H22 Br F6 I N3 Os P -","- C21 H22 Br F6 I N3 Os P -","- C42 H44 Br2 F12 I2 N6 Os2 P2 -","2","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.032","0.0264","","","0.0597","0.0608","","","","","","1.034","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016883","9.1784","0.0002","10.6711","0.0003","12.2921","0.0004","93.579","0.002","93.46","0.002","96.43","0.002","1191.27","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H22 Cl2 F6 N3 Os P -","- C21 H22 Cl2 F6 N3 Os P -","- C42 H44 Cl4 F12 N6 Os2 P2 -","2","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.0251","0.0214","","","0.0417","0.0424","","","","","","0.977","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016884","7.6626","0.0005","11.9693","0.0008","13.612","0.0006","99.966","0.005","102.906","0.005","91.374","0.005","1195.98","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H22 Cl F6 I N3 Os P -","- C21 H22 Cl F6 I N3 Os P -","- C42 H44 Cl2 F12 I2 N6 Os2 P2 -","2","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.0387","0.0323","","","0.0761","0.0779","","","","","","1.018","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016885","6.9574","0.0002","16.7829","0.0006","20.7297","0.0007","90","","93.182","0.003","90","","2416.78","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Cl F6 I N3 Os P -","- C23 H18 Cl F6 I N3 Os P -","- C92 H72 Cl4 F24 I4 N12 Os4 P4 -","4","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.0285","0.0231","","","0.0475","0.0484","","","","","","1.008","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016886","8.8866","0.0005","10.0428","0.0004","14.1695","0.0007","103.452","0.004","94.374","0.004","100.802","0.004","1198.54","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H18 Br Cl F6 N3 Os P -","- C23 H18 Br Cl F6 N3 Os P -","- C46 H36 Br2 Cl2 F12 N6 Os2 P2 -","2","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.0314","0.0257","","","0.0558","0.0567","","","","","","0.99","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016887","7.4624","0.0002","10.8856","0.0004","14.5449","0.0005","81.182","0.003","84.223","0.002","82.97","0.003","1154.73","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Cl F7 N3 Os P -","- C23 H18 Cl F7 N3 Os P -","- C46 H36 Cl2 F14 N6 Os2 P2 -","2","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.029","0.0249","","","0.0558","0.0569","","","","","","0.998","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016888","7.624","0.0005","28.9718","0.0019","11.0421","0.0014","90","","94.24","0.008","90","","2432.3","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl2 F6 N3 Os P -","- C23 H18 Cl2 F6 N3 Os P -","- C92 H72 Cl8 F24 N12 Os4 P4 -","4","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.0903","0.0654","","","0.1748","0.1996","","","","","","1.044","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016889","19.4975","0.0004","14.2729","0.0003","20.3022","0.0003","90","","90","","90","","5649.82","0.19","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C22 H27 Cl F6 I N3 O1.5 Os P -","- C22 H22 Cl F6 I N3 O1.5 Os P -","- C176 H176 Cl8 F48 I8 N24 O12 Os8 P8 -","8","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.0625","0.0324","","","0.0707","0.0739","","","","","","0.921","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016890","16.6936","0.0005","9.0505","0.0003","16.9583","0.0005","90","","107.97","0.003","90","","2437.17","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br Cl F6 N3 Os P -","- C21 H22 Br Cl F6 N3 Os P -","- C84 H88 Br4 Cl4 F24 N12 Os4 P4 -","4","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.047","0.0292","","","0.0504","0.0524","","","","","","0.926","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016891","7.2224","0.0002","10.6661","0.0004","15.8327","0.0006","79.383","0.003","78.4","0.003","85.931","0.003","1173.58","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H22 Cl2 F6 N3 Os P -","- C21 H22 Cl2 F6 N3 Os P -","- C42 H44 Cl4 F12 N6 Os2 P2 -","2","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.027","0.0221","","","0.0443","0.045","","","","","","0.984","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016892","15.988","0.0006","20.5558","0.0007","20.3552","0.0007","90","","94.474","0.002","90","","6669.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(?-CF3PCPH)Ir(H)(CO)(PPh3)]2","","","- C62 H48 F24 Ir2 O2 P6 -","- C62 H46 F24 Ir2 O2 P6 -","- C248 H184 F96 Ir8 O8 P24 -","4","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor (CF(3))PCPH pincer reactivity with (PPh(3))(3)Ir(CO)H.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10014","10019","10.1039/c1dt10952a","","","0.71073","MoKα","","0.0867","0.0553","","","0.1263","0.139","","","","","","1.045","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016893","35.067","0.002","12.4089","0.0008","37.446","0.003","90","","117.509","0.001","90","","14452.1","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(?-CF3PCPH)Ir(H)(CO)(PPh3)]4","","","- C124 H96 F48 Ir4 O4 P12 -","- C124 H92 F48 Ir4 O4 P12 -","- C496 H368 F192 Ir16 O16 P48 -","4","0.5","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor (CF(3))PCPH pincer reactivity with (PPh(3))(3)Ir(CO)H.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10014","10019","10.1039/c1dt10952a","","","0.71073","MoKα","","0.0694","0.0468","","","0.1261","0.1396","","","","","","1.034","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016894","10.7409","0.0003","17.7775","0.0004","16.8167","0.0004","90","","97.867","0.001","90","","3180.87","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(CF3PCP)Ir(PPh3)(CO)","","","- C31 H22 F12 Ir O P3 -","- C31 H22 F12 Ir O P3 -","- C124 H88 F48 Ir4 O4 P12 -","4","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor (CF(3))PCPH pincer reactivity with (PPh(3))(3)Ir(CO)H.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10014","10019","10.1039/c1dt10952a","","","0.71073","MoKα","","0.0274","0.0206","","","0.0493","0.0532","","","","","","1.036","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016895","6.6921","0.0011","10.1758","0.0016","12.444","0.002","74.805","0.002","74.955","0.002","88.679","0.002","788.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.5 H11 Mn2 N6 O9 -","- C9.5 H8 Mn2 N6 O9 -","- C19 H16 Mn4 N12 O18 -","2","1","","Yang, En-Cui; Liu, Zhong-Yi; Wu, Xiao-Yun; Chang, Hong; Wang, En-Chan; Zhao, Xiao-Jun","Co(II), Mn(II) and Cu(II)-directed coordination polymers with mixed tetrazolate-dicarboxylate heterobridges exhibiting spin-canted, spin-frustrated antiferromagnetism and a slight spin-flop transition.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10082","10089","10.1039/c1dt10958h","","","0.71073","MoKα","","0.0302","0.0284","","","0.0794","0.081","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016896","6.4021","0.0003","14.9295","0.0006","15.8901","0.0006","90","","90","","90","","1518.78","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Cu8 N24 O40 -","- C36 H48 Cu8 N24 O40 -","- C36 H48 Cu8 N24 O40 -","1","0.25","","Yang, En-Cui; Liu, Zhong-Yi; Wu, Xiao-Yun; Chang, Hong; Wang, En-Chan; Zhao, Xiao-Jun","Co(II), Mn(II) and Cu(II)-directed coordination polymers with mixed tetrazolate-dicarboxylate heterobridges exhibiting spin-canted, spin-frustrated antiferromagnetism and a slight spin-flop transition.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10082","10089","10.1039/c1dt10958h","","","0.71073","MoKα","","0.023","0.0221","","","0.0626","0.063","","","","","","1.068","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016897","6.516","0.0004","10.1804","0.0007","12.039","0.0008","102.913","0.001","105.27","0.001","93.214","0.001","745.31","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 Co2 N6 O9.5 -","- C9 H10 Co2 N6 O9.5 -","- C18 H20 Co4 N12 O19 -","2","1","","Yang, En-Cui; Liu, Zhong-Yi; Wu, Xiao-Yun; Chang, Hong; Wang, En-Chan; Zhao, Xiao-Jun","Co(II), Mn(II) and Cu(II)-directed coordination polymers with mixed tetrazolate-dicarboxylate heterobridges exhibiting spin-canted, spin-frustrated antiferromagnetism and a slight spin-flop transition.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10082","10089","10.1039/c1dt10958h","","","0.71073","MoKα","","0.0287","0.0274","","","0.0646","0.0653","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016898","20.925","0.002","13.954","0.001","17.605","0.002","90","","90","","90","","5140.4","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Fe(II)(NCSe)2(DDE)2]","[Fe(II)(NCSe)2(DDE)2]","","- C44 H56 Fe N18 Se2 -","- C44 H36 Fe N18 Se2 -","- C176 H144 Fe4 N72 Se8 -","4","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Wallwork, Kia S.; Batten, Stuart R.; Murray, Keith S.","A temperature-dependent order-disorder and crystallographic phase transition in a 0D Fe(ii) spin crossover compound and its non-spin crossover Co(ii) isomorph.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10147","10155","10.1039/c1dt10961h","","","0.71073","MoKα","","0.1264","0.069","","","0.2109","0.259","","","","","","1.037","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016899","20.854","0.004","13.895","0.003","17.276","0.004","90","","92.23","0.03","90","","5002.2","1.9","160","2","160","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[Fe(II)(NCSe)2(DDE)2]","[Fe(II)(NCSe)2(DDE)2]","","- C44 H56 Fe N18 Se2 -","- C44 H56 Fe N18 Se2 -","- C176 H224 Fe4 N72 Se8 -","4","1","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Wallwork, Kia S.; Batten, Stuart R.; Murray, Keith S.","A temperature-dependent order-disorder and crystallographic phase transition in a 0D Fe(ii) spin crossover compound and its non-spin crossover Co(ii) isomorph.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10147","10155","10.1039/c1dt10961h","","","0.71073","MoKα","","0.0786","0.0432","","","0.0954","0.1087","","","","","","0.868","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016900","20.566","0.001","13.756","0.002","17.18","0.001","90","","92.445","0.003","90","","4855.9","0.8","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[Fe(II)(NCBH3)2(DDE)2]","[Fe(II)(NCBH3)2(DDE)2]","","- C44 H62 B2 Fe N18 -","- C44 H62 B2 Fe N18 -","- C176 H248 B8 Fe4 N72 -","4","1","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Wallwork, Kia S.; Batten, Stuart R.; Murray, Keith S.","A temperature-dependent order-disorder and crystallographic phase transition in a 0D Fe(ii) spin crossover compound and its non-spin crossover Co(ii) isomorph.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10147","10155","10.1039/c1dt10961h","","","0.77502","Synchrotron","","0.0653","0.0587","","","0.1523","0.157","","","","","","1.041","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016901","20.902","0.003","13.893","0.002","17.592","0.002","90","","90","","90","","5108.6","1.2","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Co(II)(NCSe)2(DDE)2]","[Co(II)(NCSe)2(DDE)2]","","- C44 H56 Co N18 Se2 -","- C44 H46 Co N18 Se2 -","- C176 H184 Co4 N72 Se8 -","4","0.5","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Wallwork, Kia S.; Batten, Stuart R.; Murray, Keith S.","A temperature-dependent order-disorder and crystallographic phase transition in a 0D Fe(ii) spin crossover compound and its non-spin crossover Co(ii) isomorph.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10147","10155","10.1039/c1dt10961h","","","0.71073","MoKα","","0.2802","0.0902","","","0.2186","0.3449","","","","","","0.946","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016902","20.995","0.004","13.655","0.003","17.347","0.004","90","","91.91","0.03","90","","4970.4","1.8","173","1","173","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[Co(II)(NCSe)2(DDE)2]","[Co(II)(NCSe)2(DDE)2]","","- C44 H56 Co N18 Se2 -","- C44 H56 Co N18 Se2 -","- C176 H224 Co4 N72 Se8 -","4","1","","Ross, Tamsyn M.; Moubaraki, Boujemaa; Wallwork, Kia S.; Batten, Stuart R.; Murray, Keith S.","A temperature-dependent order-disorder and crystallographic phase transition in a 0D Fe(ii) spin crossover compound and its non-spin crossover Co(ii) isomorph.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10147","10155","10.1039/c1dt10961h","","","0.71073","MoKα","","0.33","0.0966","","","0.1817","0.2851","","","","","","0.936","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016903","18.1703","0.0011","10.9178","0.0007","21.1239","0.0013","90","","91.105","0.001","90","","4189.8","0.5","294","2","294","2","","","","","","","","8","C 1 c 1","C -2yc","9","cis-chlorido(4-tert-butyl)pyridinebis (triphenylphosphane)platinum(ii) tetrafluoborate","cis-chlorido(4-tert-butyl)pyridinebis (triphenylphosphane)platinum(II) tetrafluoborate","","- C45 H43 B Cl F4 N P2 Pt -","- C45 H43 B Cl F4 N P2 Pt -","- C180 H172 B4 Cl4 F16 N4 P8 Pt4 -","4","1","","Rigamonti, Luca; Rusconi, Michele; Forni, Alessandra; Pasini, Alessandro","The role of the atomic charges on the ligands and platinum(ii) in affecting the cis and trans influences in [PtXL(PPh(3))(2)](+) complexes (X = NO(3), Cl, Br, I; L = 4-substituted pyridines, amines, PPh(3)). A (31)P NMR and DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10162","10173","10.1039/c1dt10963d","","","0.71073","MoKα","","0.0278","0.024","","","0.0517","0.0532","","","","","","0.907","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016904","13.031","0.003","14.668","0.003","14.887","0.003","101.44","0.03","112.36","0.03","102.56","0.03","2440.9","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Cu2 N14 O12 -","- C37 H31 Cu2 N14 O12 -","- C74 H62 Cu4 N28 O24 -","2","1","","Liu, Zeng-Chen; Yang, Zheng-Yin; Li, Tian-Rong; Wang, Bao-Dui; Li, Yong; Qin, Dong-Dong; Wang, Ming-Fang; Yan, Mi-Hui","An effective Cu(ii) quenching fluorescence sensor in aqueous solution and 1D chain coordination polymer framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9370","9373","10.1039/c1dt10987a","","","0.71073","MoKα","","0.1229","0.0609","","","0.1406","0.1584","","","","","","0.918","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016905","7.2106","0.0009","28.14","0.003","7.1535","0.0008","90","","118.175","0.002","90","","1279.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C60 H44 Cr4 N4 O12 -","4","1","","Czerwinski, Curtis J.; Guzei, Ilia A.; Riggle, Kevin M.; Schroeder, Jason R.; Spencer, Lara C.","Haptotropic rearrangement in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9439","9446","10.1039/c1dt10994d","","","0.71073","MoKα","","0.0304","0.0292","","","0.0804","0.0813","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016906","7.5427","0.0005","12.7303","0.0009","26.7851","0.0019","90","","90","","90","","2571.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C120 H88 Cr8 N8 O24 -","8","1","","Czerwinski, Curtis J.; Guzei, Ilia A.; Riggle, Kevin M.; Schroeder, Jason R.; Spencer, Lara C.","Haptotropic rearrangement in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9439","9446","10.1039/c1dt10994d","","","0.71073","MoKα","","0.0391","0.035","","","0.098","0.1011","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016907","6.3121","0.0006","12.3958","0.0012","16.29","0.0015","90","","96.994","0.001","90","","1265.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C60 H44 Cr4 N4 O12 -","4","1","","Czerwinski, Curtis J.; Guzei, Ilia A.; Riggle, Kevin M.; Schroeder, Jason R.; Spencer, Lara C.","Haptotropic rearrangement in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9439","9446","10.1039/c1dt10994d","","","0.71073","MoKα","","0.0305","0.0275","","","0.077","0.0795","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016908","8.4228","0.0003","8.8378","0.0003","9.1761","0.0004","96.81","0.003","108.19","0.003","90.924","0.003","643.32","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C30 H22 Cr2 N2 O6 -","2","1","","Czerwinski, Curtis J.; Guzei, Ilia A.; Riggle, Kevin M.; Schroeder, Jason R.; Spencer, Lara C.","Haptotropic rearrangement in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9439","9446","10.1039/c1dt10994d","","","1.54178","Cu-Kα","","0.0216","0.0214","","","0.0586","0.0587","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016909","7.3848","0.0004","27.2437","0.0012","9.4632","0.0006","90","","99.407","0.002","90","","1878.29","0.18","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","k01prr15 1a","","","- C16 H22 O2 S Si2 -","- C16 H22 O2 S Si2 -","- C64 H88 O8 S4 Si8 -","4","1","","Khan, Muhammad S.; Al-Suti, Mohammed K; Shah, Hakkikulla H.; Al-Humaimi, Said; Al-Battashi, Fathiya R; Bjernemose, Jens K.; Male, Louise; Raithby, Paul R.; Zhang, Ning; Köhler, Anna; Warren, John E.","Synthesis and characterization of platinum(ii) di-ynes and poly-ynes incorporating ethylenedioxythiophene (EDOT) spacers in the backbone.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10174","10183","10.1039/c1dt11010a","","","0.71073","MoKα","","0.1101","0.0599","","","0.1168","0.1406","","","","","","1.05","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016910","31.894","0.0003","9.661","0.0001","33.603","0.0004","90","","103.24","0.001","90","","10078.8","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","k01prr31 1M","","","- C46 H74 O2 P4 Pt2 S -","- C46 H74 O2 P4 Pt2 S -","- C368 H592 O16 P32 Pt16 S8 -","8","1","","Khan, Muhammad S.; Al-Suti, Mohammed K; Shah, Hakkikulla H.; Al-Humaimi, Said; Al-Battashi, Fathiya R; Bjernemose, Jens K.; Male, Louise; Raithby, Paul R.; Zhang, Ning; Köhler, Anna; Warren, John E.","Synthesis and characterization of platinum(ii) di-ynes and poly-ynes incorporating ethylenedioxythiophene (EDOT) spacers in the backbone.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10174","10183","10.1039/c1dt11010a","","","0.71073","MoKα","","0.0645","0.049","","","0.1194","0.1287","","","","","","1.043","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016911","42.98","0.004","13.4875","0.0013","9.8161","0.0009","90","","101.078","0.001","90","","5584.3","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H78 O4 P4 Pt2 S2 -","- C52 H78 O4 P4 Pt2 S2 -","- C208 H312 O16 P16 Pt8 S8 -","4","0.5","","Khan, Muhammad S.; Al-Suti, Mohammed K; Shah, Hakkikulla H.; Al-Humaimi, Said; Al-Battashi, Fathiya R; Bjernemose, Jens K.; Male, Louise; Raithby, Paul R.; Zhang, Ning; Köhler, Anna; Warren, John E.","Synthesis and characterization of platinum(ii) di-ynes and poly-ynes incorporating ethylenedioxythiophene (EDOT) spacers in the backbone.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10174","10183","10.1039/c1dt11010a","","","0.6775","synchrotron","","0.0325","0.0283","","","0.0722","0.0738","","","","","","0.976","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016912","29.8269","0.0016","29.8269","0.0016","15.6504","0.0011","90","","90","","120","","12057.9","1.2","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H18 Br N4 O5 Re -","- C21 H16 Br N4 O5 Re -","- C378 H288 Br18 N72 O90 Re18 -","18","1","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.1045","0.082","","","0.1731","0.1822","","","","","","1.211","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016913","8.6598","0.0001","8.7143","0.0001","11.564","0.0002","77.87","0.001","88.862","0.001","70.192","0.001","801.45","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N3 O4 Re -","- C16 H12 N3 O4 Re -","- C32 H24 N6 O8 Re2 -","2","1","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.0166","0.0162","","","0.0388","0.039","","","","","","1.124","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016914","7.602","0.003","12.208","0.008","13.094","0.005","74.81","0.04","80.92","0.04","94.31","0.06","1149.4","1","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br N4 O4 Re -","- C23 H18 Br N4 O4 Re -","- C46 H36 Br2 N8 O8 Re2 -","2","1","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","x-ray","0.71073","MoKα","","0.0403","0.0309","","","0.0773","0.0799","","","","","","1.024","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016915","17.395","0.002","13.956","0.002","20.464","0.002","90","","90","","90","","4967.9","1","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C27 H19 Br N3 O4 Re -","- C27 H19 Br N3 O4 Re -","- C216 H152 Br8 N24 O32 Re8 -","8","1","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.1182","0.0841","","","0.1816","0.2033","","","","","","1.096","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016916","17.8235","0.0005","17.54","0.0003","16.1051","0.0004","90","","120.057","0.001","90","","4357.8","0.18","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Br N3 O4 Re -","- C22 H17 Br N3 O4 Re -","- C176 H136 Br8 N24 O32 Re8 -","8","1","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.0435","0.0334","","","0.0688","0.0728","","","","","","1.059","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016917","14.2033","0.0007","11.9057","0.0005","26.0996","0.0012","90","","92.143","0.001","90","","4410.4","0.4","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22.5 H17 Cl N3 O4 Re -","- C22.5 H17 Cl N3 O4 Re -","- C180 H136 Cl8 N24 O32 Re8 -","8","2","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.0532","0.048","","","0.1324","0.1392","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016918","11.0493","0.0002","12.7288","0.0002","16.2947","0.0002","90","","90","","90","","2291.76","0.06","120","2","120","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C27 H18 N3 O4 Re -","- C27 H18 N3 O4 Re -","- C108 H72 N12 O16 Re4 -","4","1","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.0286","0.0248","","","0.0476","0.0488","","","","","","1.097","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016919","12.2711","0.0004","10.3063","0.0003","14.6466","0.0005","90","","90","","90","","1852.35","0.1","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H13 Br N3 O4 Re -","- C16 H13 Br N3 O4 Re -","- C64 H52 Br4 N12 O16 Re4 -","4","0.5","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.0311","0.0248","","","0.0492","0.0521","","","","","","1.115","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016920","8.815","0.005","12.074","0.005","13.158","0.004","108.26","0.005","90.776","0.004","98.218","0.005","1313.7","1","223","1","223","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Eu2 N2 O19 -","- C34 H46 Eu2 N2 O19 -","- C34 H46 Eu2 N2 O19 -","1","0.5","","Yang, Xiaoping; Lam, Daniel; Chan, Christopher; Stanley, Julie M.; Jones, Richard A.; Holliday, Bradley J.; Wong, Wai-Kwok","Construction of 1-D 4f and 3d-4f coordination polymers with flexible Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9795","9801","10.1039/c1dt11036e","","","0.710747","MoKα","","0.0701","0.0566","","","0.1595","0.1857","","","","","","1.19","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016921","8.788","0.005","11.889","0.004","13.115","0.005","107.873","0.005","91.001","0.005","98.201","0.003","1288.1","1","223","1","223","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Er2 N2 O19 -","- C34 H46 Er2 N2 O19 -","- C34 H46 Er2 N2 O19 -","1","0.5","","Yang, Xiaoping; Lam, Daniel; Chan, Christopher; Stanley, Julie M.; Jones, Richard A.; Holliday, Bradley J.; Wong, Wai-Kwok","Construction of 1-D 4f and 3d-4f coordination polymers with flexible Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9795","9801","10.1039/c1dt11036e","","","0.710747","MoKα","","0.0962","0.0721","","","0.1821","0.233","","","","","","1.186","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016922","10.064","0.002","29.115","0.006","9.1293","0.0018","90","","96.85","0.03","90","","2655.9","0.9","223","1","223","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl N2 Ni O9 Yb -","- C24 H30 Cl N2 Ni O9 Yb -","- C96 H120 Cl4 N8 Ni4 O36 Yb4 -","4","1","","Yang, Xiaoping; Lam, Daniel; Chan, Christopher; Stanley, Julie M.; Jones, Richard A.; Holliday, Bradley J.; Wong, Wai-Kwok","Construction of 1-D 4f and 3d-4f coordination polymers with flexible Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9795","9801","10.1039/c1dt11036e","","","0.710747","MoKα","","0.066","0.0483","","","0.127","0.1672","","","","","","1.204","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016923","16.493","0.003","35.431","0.007","8.6771","0.0017","90","","90","","90","","5070.6","1.7","223","1","223","1","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C20 H22 Cl3 N2 Ni O7 Yb -","- C20 H22 Cl3 N2 Ni O7 Yb -","- C160 H176 Cl24 N16 Ni8 O56 Yb8 -","8","2","","Yang, Xiaoping; Lam, Daniel; Chan, Christopher; Stanley, Julie M.; Jones, Richard A.; Holliday, Bradley J.; Wong, Wai-Kwok","Construction of 1-D 4f and 3d-4f coordination polymers with flexible Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9795","9801","10.1039/c1dt11036e","","","0.710747","MoKα","","0.0762","0.0505","","","0.1106","0.1222","","","","","","1.099","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016924","14.2574","0.0007","23.3393","0.001","23.6971","0.0014","90","","103.294","0.006","90","","7674.1","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H57 Dy3 N6 O21 -","- C85 H57 Dy3 N6 O21 -","- C340 H228 Dy12 N24 O84 -","4","1","","Liu, Chun-Sen; Du, Miao; Sañudo, E Carolina; Echeverria, Jorge; Hu, Min; Zhang, Qiang; Zhou, Li-Ming; Fang, Shao-Ming","A luminescent linear trinuclear Dy(III) complex exhibiting slow magnetic relaxation of single ion origin.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9366","9369","10.1039/c1dt11039j","","","0.71073","MoKα","","0.07","0.0333","","","0.045","0.0474","","","","","","1.017","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016925","10.925","0.0011","18.062","0.0017","12.049","0.0012","90","","91.175","0.011","90","","2377.1","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 B Cl F4 O5 Ru S5 -","- C10 H30 B Cl F4 O5 Ru S5 -","- C40 H120 B4 Cl4 F16 O20 Ru4 S20 -","4","1","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","0.71073","MoKα","","0.0536","0.0356","","","0.0869","0.0914","","","","","","0.927","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016926","12","0.004","9.201","0.003","25.854","0.005","90","","91.04","0.02","90","","2854.1","1.4","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C6 H20 Cl2 N2 O2 Ru S2 -","- C6 H20 Cl2 N2 O2 Ru S2 -","- C48 H160 Cl16 N16 O16 Ru8 S16 -","8","2","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","0.71073","MoKα","","0.0473","0.0333","","","0.0745","0.0778","","","","","","0.898","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016927","14.321","0.0011","26.898","0.003","16.132","0.0015","90","","90","","90","","6214.1","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H44 Cl4 N2 O6 Ru2 S6 -","- C14 H44 Cl4 N2 O6 Ru2 S6 -","- C112 H352 Cl32 N16 O48 Ru16 S48 -","8","1","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","1","synchrotron","","0.0293","0.0261","","","0.0663","0.0688","","","","","","1.137","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016928","9.28","0.0008","16.987","0.0011","12.594","0.0015","90","","92.718","0.01","90","","1983.1","0.3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C8 H26 Cl F6 N2 O3 P Ru S3 -","- C8 H26 Cl F6 N2 O3 P Ru S3 -","- C32 H104 Cl4 F24 N8 O12 P4 Ru4 S12 -","4","1","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","0.71073","MoKα","","0.0759","0.0414","","","0.0924","0.1019","","","","","","0.861","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016929","21.399","0.004","16.056","0.003","15.126","0.002","90","","92.37","0.02","90","","5192.6","1.5","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C25 H66 Cl4 F12 N4 O6 P2 Ru2 S6 -","- C25 H66 Cl4 F12 N4 O6 P2 Ru2 S6 -","- C100 H264 Cl16 F48 N16 O24 P8 Ru8 S24 -","4","1","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","0.71073","Mokα","","0.1096","0.05","","","0.1169","0.1314","","","","","","0.83","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016930","10.815","0.0011","17.172","0.0015","20.805","0.0017","90","","90","","90","","3863.8","0.6","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Cl F6 N2 O3 P Ru S3 -","- C6 H24 Cl F6 N2 O3 P Ru S3 -","- C48 H192 Cl8 F48 N16 O24 P8 Ru8 S24 -","8","1","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","0.71073","MoKα","","0.1355","0.0485","","","0.1023","0.1211","","","","","","0.781","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016931","21.307","0.004","21.307","0.004","7.959","0.002","90","","90","","90","","3613.3","1.3","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C12 H22 Cl N O5 Ru S3 -","- C12 H22 Cl N O5 Ru S3 -","- C96 H176 Cl8 N8 O40 Ru8 S24 -","8","1","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","0.71073","MoKα","","0.047","0.0287","","","0.0631","0.0668","","","","","","0.867","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016932","9.5984","0.0019","34.2","0.007","13.446","0.003","90","","106.94","0.03","90","","4222.3","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H45 Cl2 Co N3 -","- C50 H45 Cl2 Co N3 -","- C200 H180 Cl8 Co4 N12 -","4","1","","Yu, Jiangang; Huang, Wei; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","2-[1-(2,6-Dibenzhydryl-4-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylcobalt(ii) dichlorides: Synthesis, characterization and ethylene polymerization behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10209","10214","10.1039/c1dt11062d","","","0.71073","MoKα","","","0.0939","","","0.222","0.2378","","","","","","1.259","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016933","13.237","0.003","16.59","0.003","25.64","0.005","89","0.03","77.66","0.03","88.11","0.03","5497","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H102 Cl4 Co2 N6 -","- C106 H102 Cl4 Co2 N6 -","- C212 H204 Cl8 Co4 N12 -","2","1","","Yu, Jiangang; Huang, Wei; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","2-[1-(2,6-Dibenzhydryl-4-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylcobalt(ii) dichlorides: Synthesis, characterization and ethylene polymerization behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10209","10214","10.1039/c1dt11062d","","","0.71073","MoKα","","","0.0634","","","0.1696","0.1795","","","","","","1.037","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016934","11.0687","0.0008","13.2741","0.001","14.1357","0.0011","72.117","0.001","80.538","0.001","67.69","0.001","1825.9","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H118 N2 O6 Zn2 -","- C76 H118 N2 O6 Zn2 -","- C76 H118 N2 O6 Zn2 -","1","0.5","","Chuang, Hui-Ju; Weng, Shi-Feng; Chang, Chia-Chih; Lin, Chu-Chieh; Chen, Hsuan-Ying","Synthesis, characterization and catalytic activity of magnesium and zinc aminophenoxide complexes: Catalysts for ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9601","9607","10.1039/c1dt11080b","","","0.71073","MoKα","","0.042","0.0374","","","0.1052","0.1093","","","","","","1.035","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016935","19.5096","0.0009","19.5096","0.0009","12.402","0.0011","90","","90","","120","","4088.1","0.5","173","1","173","1","","","","","","","","5","P -3","-P 3","147","","","","- C26 H40 N2 O4 Ti -","- C26 H40 N2 O4 Ti -","- C156 H240 N12 O24 Ti6 -","6","1","","Meker, Sigalit; Manna, Cesar M.; Peri, Dani; Tshuva, Edit Y.","Major impact of N-methylation on cytotoxicity and hydrolysis of salan Ti(IV) complexes: sterics and electronics are intertwined.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9802","9809","10.1039/c1dt11108f","","","0.71073","MoKα","","0.1013","0.0973","","","0.2425","0.2456","","","","","","1.246","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016936","6.9826","0.001","12.7055","0.0018","14.613","0.002","66.685","0.002","84.776","0.003","83.53","0.003","1181.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 N4 O7 Ti2 -","- C46 H64 N4 O7 Ti2 -","- C46 H64 N4 O7 Ti2 -","1","0.5","","Meker, Sigalit; Manna, Cesar M.; Peri, Dani; Tshuva, Edit Y.","Major impact of N-methylation on cytotoxicity and hydrolysis of salan Ti(IV) complexes: sterics and electronics are intertwined.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9802","9809","10.1039/c1dt11108f","","","0.71073","MoKα","","0.0518","0.0507","","","0.1548","0.1556","","","","","","1.156","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016937","13.0593","0.0013","23.948","0.002","15.3506","0.0016","90","","95.966","0.002","90","","4774.8","0.8","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Cl4 N4 O7.5 Ti2 -","- C40 H50 Cl4 N4 O7.5 Ti2 -","- C160 H200 Cl16 N16 O30 Ti8 -","4","1","","Meker, Sigalit; Manna, Cesar M.; Peri, Dani; Tshuva, Edit Y.","Major impact of N-methylation on cytotoxicity and hydrolysis of salan Ti(IV) complexes: sterics and electronics are intertwined.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9802","9809","10.1039/c1dt11108f","","","0.71073","MoKα","","0.0662","0.0555","","","0.1667","0.176","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016938","26.7628","0.0017","26.7351","0.0018","20.3079","0.0011","90","","90","","90","","14530.4","1.6","173","2","173","2","","","","","","","","9","P n n a","-P 2a 2bc","52","","","","- C64.5 H85 Cl F6 I3 N8 O0 P Rh2 -","- C58.5 H71 Cl F6 I3 N8 P Rh2 -","- C468 H568 Cl8 F48 I24 N64 P8 Rh16 -","8","1","","Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin","Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9911","9920","10.1039/c1dt11116g","","","0.71073","MoKα","","0.2121","0.0827","","","0.1977","0.2425","","","","","","0.837","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016939","16.7813","0.0009","11.0963","0.0004","14.6937","0.0007","90","","97.152","0.004","90","","2714.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 I2 N6 Rh -","- C21 H32 I2 N6 Rh -","- C84 H128 I8 N24 Rh4 -","4","1","","Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin","Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9911","9920","10.1039/c1dt11116g","","","0.71073","MoKα","","0.0389","0.0296","","","0.0769","0.0792","","","","","","1.061","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016940","11.8107","0.0011","12.052","0.0009","16.1426","0.0016","90","","95.827","0.012","90","","2285.9","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H31 Br2 N4 O2 Rh -","- C19 H31 Br2 N4 O2 Rh -","- C76 H124 Br8 N16 O8 Rh4 -","4","1","","Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin","Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9911","9920","10.1039/c1dt11116g","","","0.71073","MoKα","","0.0492","0.0274","","","0.0431","0.0486","","","","","","0.673","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016941","7.6131","0.0011","8.3587","0.0011","10.6771","0.0015","68.734","0.003","73.159","0.003","66.537","0.003","572.37","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H30 I2 N5 Rh -","- C19 H30 I2 N5 Rh -","- C19 H30 I2 N5 Rh -","1","1","","Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin","Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9911","9920","10.1039/c1dt11116g","","","0.71073","MoKα","","0.0478","0.0436","","","0.0904","0.0918","","","","","","1.072","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016942","13.0797","0.0004","13.1844","0.0006","14.1897","0.0006","65.129","0.004","75.544","0.003","83.928","0.003","2149.76","0.17","100","","100","","","","","","","","Ross Inglis","6","P -1","-P 1","2","","","","- C97.2 H80.8 Mn2 N11.6 O14 Zn2 -","- C97.2 H80.8 Mn2 N11.6 O14 Zn2 -","- C97.2 H80.8 Mn2 N11.6 O14 Zn2 -","1","0.5","","Inglis, Ross; Houton, Edel; Liu, Junjie; Prescimone, Alessandro; Cano, Joan; Piligkos, Stergios; Hill, Stephen; Jones, Leigh F.; Brechin, Euan K.","Accidentally on purpose: construction of a ferromagnetic, oxime-based [Mn(III)(2)] dimer.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","9999","10006","10.1039/c1dt11118c","","","1.5418","CuKα","","0.0443","0.0423","","0.0437","0.0432","0.0432","","","","","","1.1292","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016943","13.7503","0.0009","21.2623","0.0013","15.0633","0.0009","90","","114.992","0.001","90","","3991.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Cl4 Cu7 N10 O40 -","- C58 H82 Cl4 Cu7 N10 O40 -","- C116 H164 Cl8 Cu14 N20 O80 -","2","0.5","","Arora, Himanshu; Cano, Joan; Lloret, Francesc; Mukherjee, Rabindranath","Unprecedented heptacopper(ii) cluster with body-centred anti-prismatic topology. Structure, magnetism and density functional study.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10055","10062","10.1039/c1dt11119a","","","0.71073","MoKα","","0.1522","0.0733","","","0.1523","0.1952","","","","","","0.973","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016944","26.34","0.008","15.955","0.004","18.695","0.005","90","","90","","90","","7857","4","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","Mo2Br","","","- C88 H88 Br Mo2 N12 O3 -","- C88 H88 Br Mo2 N12 O3 -","- C352 H352 Br4 Mo8 N48 O12 -","4","1","","Tsurugi, Hayato; Yamada, Kohei; Majumdar, Moumita; Sugino, Yoshitaka; Hayakawa, Akio; Mashima, Kazushi","Dinuclear molybdenum cluster-catalyzed radical addition and polymerization reactions by tuning the redox potential of a quadruple bonded Mo(2) core.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9358","9361","10.1039/c1dt11129a","","","0.71075","MoKα","","0.1336","0.0809","","","0.1661","0.2089","","","","","","1.018","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016945","10.8832","0.0012","14.6759","0.0017","17.335","0.002","69.998","0.002","88.651","0.002","75.203","0.002","2509.3","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 O2 P4 S4 Th -","- C54 H50 O2 P4 S4 Th -","- C108 H100 O4 P8 S8 Th2 -","2","1","","Ren, Wenshan; Deng, Xuebin; Zi, Guofu; Fang, De-Cai","The Th[double bond, length as m-dash]C double bond: an experimental and computational study of thorium poly-carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9662","9664","10.1039/c1dt11149c","","","0.71073","MoKα","","0.0711","0.0528","","","0.0983","0.1076","","","","","","0.974","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016946","21.0477","0.0011","23.5378","0.0012","35.0309","0.0017","90","","90","","90","","17354.9","1.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C87 H90 Li2 O6 P6 S6 Th -","- C87 H90 Li2 O6 P6 S6 Th -","- C696 H720 Li16 O48 P48 S48 Th8 -","8","1","","Ren, Wenshan; Deng, Xuebin; Zi, Guofu; Fang, De-Cai","The Th[double bond, length as m-dash]C double bond: an experimental and computational study of thorium poly-carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9662","9664","10.1039/c1dt11149c","","","0.71073","MoKα","","0.0879","0.0444","","","0.0855","0.1002","","","","","","1.015","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016947","15.75386","0.00017","22.557","0.0003","25.5975","0.0003","90","","90","","90","","9096.32","0.19","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H125 Co N15 O28.5 P -","- C79 H110 Co N15 O28.5 P -","- C316 H440 Co4 N60 O114 P4 -","4","1","","Zelenka, Karel; Brandl, Helmut; Spingler, Bernhard; Zelder, Felix","Coordination chemistry and biological activity of 5'-OH modified quinoline-B12 derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9665","9667","10.1039/c1dt11161b","","","0.7107","MoKα","","0.0707","0.0492","","","0.1085","0.1135","","","","","","0.94","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016948","6.5022","0.0009","10.6341","0.0013","17.425","0.002","90","","90","","90","","1204.9","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Au Br N2 -","- C11 H12 Au Br N2 -","- C44 H48 Au4 Br4 N8 -","4","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0342","0.0315","","","0.0766","0.0775","","","","","","1.061","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016949","12.961","0.0012","12.961","0.0012","19.4074","0.0017","90","","90","","90","","3260.2","0.5","200","2","200","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C17 H16 Au Br N2 -","- C17 H16 Au Br N2 -","- C136 H128 Au8 Br8 N16 -","8","","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0694","0.0398","","","0.0815","0.0932","","","","","","1.036","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016950","8.2789","0.001","10.7617","0.0015","11.1118","0.0015","98.946","0.005","92.925","0.004","100.948","0.004","956.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Au Br3 N2 -","- C17 H16 Au Br3 N2 -","- C34 H32 Au2 Br6 N4 -","2","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0533","0.038","","","0.0833","0.0895","","","","","","1.04","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016951","8.437","0.001","8.7674","0.001","11.3565","0.0014","94.813","0.014","98.104","0.014","105.834","0.013","793.47","0.18","123","","123","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C11 H12 Au Br I2 N2 -","- C11 H12 Au Br I2 N2 -","- C22 H24 Au2 Br2 I4 N4 -","2","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0382","0.0298","","","0.0744","0.0764","","","","","","0.852","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016952","13.0537","0.0006","13.0537","0.0006","68.414","0.004","90","","90","","120","","10095.8","0.9","300","2","300","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C22 H24 Au Br N4 -","- C22 H24 Au Br N4 -","- C396 H432 Au18 Br18 N72 -","18","","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0502","0.0233","","","0.0405","0.0442","","","","","","0.797","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016953","15.0297","0.001","11.0439","0.0009","22.6718","0.0013","90","","128.227","0.003","90","","2956.2","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Au Br N4 -","- C34 H32 Au Br N4 -","- C136 H128 Au4 Br4 N16 -","4","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0925","0.0746","","","0.1822","0.1907","","","","","","0.955","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016954","15.8157","0.0018","9.9407","0.0008","16.0006","0.0016","90","","109.154","0.012","90","","2376.3","0.4","123","","123","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Au Br3 N4 -","- C22 H24 Au Br3 N4 -","- C88 H96 Au4 Br12 N16 -","4","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.033","0.0276","","","0.0654","0.0667","","","","","","0.975","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016955","13.2756","0.0019","14.874","0.002","18.914","0.002","90","","90","","90","","3734.8","0.8","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H34 Au Br3 Cl2 N4 -","- C35 H34 Au Br3 Cl2 N4 -","- C140 H136 Au4 Br12 Cl8 N16 -","4","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.044","0.0305","","","0.0629","0.0678","","","","","","1.032","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016956","15.1243","0.0007","11.4996","0.0005","18.1831","0.0008","90","","91.404","0.001","90","","3161.5","0.2","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Au B F4 N4 -","- C34 H32 Au B F4 N4 -","- C136 H128 Au4 B4 F16 N16 -","4","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0333","0.0262","","","0.0621","0.0653","","","","","","1.029","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016957","14.9584","0.0014","11.0038","0.0011","17.829","0.0015","90","","92.788","0.003","90","","2931.2","0.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Au Cl N4 -","- C34 H32 Au Cl N4 -","- C136 H128 Au4 Cl4 N16 -","4","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0696","0.0472","","","0.1191","0.1325","","","","","","1.031","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016958","15.1417","0.0014","11.1604","0.001","18.1484","0.0017","90","","92.617","0.003","90","","3063.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Au N5 O3 -","- C34 H32 Au N5 O3 -","- C136 H128 Au4 N20 O12 -","4","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0504","0.0312","","","0.065","0.0719","","","","","","1.02","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016959","8.1925","0.0005","9.3756","0.0006","13.6642","0.0008","73.838","0.002","81.532","0.002","82.739","0.002","993.04","0.11","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Au N2 S -","- C23 H21 Au N2 S -","- C46 H42 Au2 N4 S2 -","2","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0861","0.0811","","","0.203","0.2068","","","","","","1.048","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016960","6.445","0.0013","8.65","0.0017","11.772","0.002","69.05","0.03","85.31","0.03","69.63","0.03","573.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Ag Br N2 -","- C11 H12 Ag Br N2 -","- C22 H24 Ag2 Br2 N4 -","2","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0466","0.0425","","","0.1217","0.1259","","","","","","1.071","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016961","28.281","0.008","17.947","0.006","23.917","0.01","90","","96.866","0.006","90","","12052","7","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H76 Mn3 Mo12 N6 O51 P -","- C63 H68.5 Mn3 Mo12 N6 O51 P -","- C252 H274 Mn12 Mo48 N24 O204 P4 -","4","1","","Meng, Xing; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min; Li, Bo; Yang, Qi-Hua","Chiral salen-metal derivatives of polyoxometalates with asymmetric catalytic and photocatalytic activities.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","9964","9966","10.1039/c1dt11227a","","","0.71073","MoKα","","0.1706","0.0804","","","0.2004","0.249","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016962","27.671","0.005","17.834","0.005","23.899","0.005","90","","95.821","0.005","90","","11733","5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H76 Mn3 N6 O51 P W12 -","- C63 H75 Mn3 N6 O51 P W12 -","- C252 H300 Mn12 N24 O204 P4 W48 -","4","1","","Meng, Xing; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min; Li, Bo; Yang, Qi-Hua","Chiral salen-metal derivatives of polyoxometalates with asymmetric catalytic and photocatalytic activities.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","9964","9966","10.1039/c1dt11227a","","","0.71069","MoKα","","0.154","0.0742","","","0.1826","0.2276","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016963","12.827","0.003","6.5366","0.0013","16.096","0.003","90","","90.34","0.03","90","","1349.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H15 La2 N O19.5 S2 -","- C12 H4 La2 N O19.5 S2 -","- C24 H8 La4 N2 O39 S4 -","2","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71073","MoKα","","0.0471","0.0453","","","0.1181","0.1196","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016964","9.8814","0.0016","14.1582","0.0009","7.885","","90","","104.12","","90","","1069.8","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N Nd O8 S -","- C6 H4 N Nd O8 S -","- C24 H16 N4 Nd4 O32 S4 -","4","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71073","MoKα","","0.036","0.0312","","","0.0946","0.0965","","","","","","1.145","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016965","9.946","0.004","14.42","0.005","7.675","0.003","90","","102.709","0.006","90","","1073.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 O8 S Sm -","- C6 H4 N O8 S Sm -","- C24 H16 N4 O32 S4 Sm4 -","4","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71073","MoKα","","0.0266","0.0237","","","0.0701","0.0708","","","","","","1.093","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016966","9.8814","0.0016","14.1582","0.0009","7.885","","90","","104.12","","90","","1069.8","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Eu N O8 S -","- C6 H4 Eu N O8 S -","- C24 H16 Eu4 N4 O32 S4 -","4","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71073","MoKα","","0.0341","0.0323","","","0.0881","0.0892","","","","","","1.067","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016967","9.918","0.005","14.312","0.007","7.712","0.003","90","","103.036","0.007","90","","1066.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Gd N O8 S -","- C6 H4 Gd N O8 S -","- C24 H16 Gd4 N4 O32 S4 -","4","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71073","MoKα","","0.0254","0.0251","","","0.0704","0.0707","","","","","","1.156","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016968","9.971","0.003","14.389","0.004","7.971","0.002","90","","103.982","0.006","90","","1109.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N O8 S Tb -","- C6 H4 N O8 S Tb -","- C24 H16 N4 O32 S4 Tb4 -","4","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71075","MoKα","","0.0816","0.0595","","","0.1178","0.1261","","","","","","1.159","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016969","9.8979","0.0007","14.2167","0.0011","7.9086","0.0006","90","","104.093","0.002","90","","1079.37","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Dy N O8 S -","- C6 H4 Dy N O8 S -","- C24 H16 Dy4 N4 O32 S4 -","4","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71073","MoKα","","0.0652","0.0469","","","0.0851","0.0899","","","","","","1.14","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016970","9.8814","0.0011","14.1582","0.0016","7.8854","0.0009","90","","104.119","0.003","90","","1069.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Ho N O8 S -","- C6 H4 Ho N O8 S -","- C24 H16 Ho4 N4 O32 S4 -","4","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71073","MoKα","","0.0475","0.0382","","","0.0781","0.0811","","","","","","1.133","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016971","9.8814","0.0016","14.1582","0.0009","7.885","","90","","104.12","","90","","1069.8","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Er N O8 S -","- C6 H4 Er N O8 S -","- C24 H16 Er4 N4 O32 S4 -","4","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71075","MoKα","","0.0628","0.0477","","","0.0834","0.0875","","","","","","1.142","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016972","9.8814","0.0016","14.1582","0.0009","7.885","","90","","104.12","","90","","1069.8","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N O8 S Yb -","- C6 H4 N O8 S Yb -","- C24 H16 N4 O32 S4 Yb4 -","4","1","","Sun, Ya-Guang; Jiang, Bing; Cui, Tian-Fang; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Gao, En-Jun; Lv, Tian-Yi; Van den Eeckhout, Koen; Poelman, Dirk; Verpoort, Francis","Solvothermal synthesis, crystal structure, and properties of lanthanide-organic frameworks based on thiophene-2,5-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11581","11590","10.1039/c1dt10156k","","","0.71075","MoKα","","0.0367","0.0319","","","0.08","0.0821","","","","","","1.018","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016973","22.921","0.001","11.476","0.001","23.315","0.001","90","","103.58","0.003","90","","5961.4","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C76 Cl24.24 -","- C76 Cl24.243 -","- C304 Cl96.972 -","4","1","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.1164","0.084","","","0.2076","0.2217","","","","","","1.245","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016974","11.535","0.001","12.584","0.001","22.517","0.002","101.465","0.004","94.609","0.005","105.838","0.005","3050.1","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C76 Cl26.24 -","- C76 Cl26.236 -","- C152 Cl52.472 -","2","1","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.1618","0.1172","","","0.2848","0.3062","","","","","","1.072","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016975","11.546","0.001","37.895","0.003","14.953","0.002","90","","109.5","0.01","90","","6167.2","1.2","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C76 Cl25.92 -","- C76 Cl25.919 -","- C304 Cl103.676 -","4","1","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.176","0.1283","","","0.286","0.3007","","","","","","1.008","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016976","14.573","0.001","20.984","0.002","41.19","0.003","90","","90","","90","","12595.9","1.7","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C76 Cl28.68 -","- C76 Cl28.678 -","- C608 Cl229.424 -","8","1","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.0754","0.0673","","","0.1773","0.1824","","","","","","1.058","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016977","11.575","0.001","27.495","0.002","22.182","0.001","90","","100.169","0.008","90","","6948.6","0.9","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C76 Cl28 -","- C76 Cl28 -","- C304 Cl112 -","4","1","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.233","0.1777","","","0.3943","0.421","","","","","","1.025","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016978","23.108","0.001","27.592","0.002","11.554","0.001","90","","109.41","0.01","90","","6948.1","0.9","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C76 Cl29.3 -","- C76 Cl29.3 -","- C304 Cl117.2 -","4","0.5","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.3231","0.1249","","","0.2936","0.3307","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016979","11.6025","0.0008","41.703","0.002","14.746","0.001","90","","109.139","0.003","90","","6740.6","0.7","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C76 Cl28.65 -","- C76 Cl28.65 -","- C304 Cl114.6 -","4","1","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.1665","0.1279","","","0.3029","0.318","","","","","","1.054","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016980","13.777","0.0005","19.5282","0.0008","24.855","0.001","90","","91.065","0.002","90","","6685.8","0.5","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C76 Cl33.84 -","- C76 Cl33.826 -","- C304 Cl135.304 -","4","1","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.0865","0.0794","","","0.1918","0.1962","","","","","","1.003","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016981","23.631","0.001","27.894","0.002","11.534","0.001","90","","110.38","0.01","90","","7126.9","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C76 Cl33.25 O1.32 P1.32 -","- C76 Cl33.252 O1.324 P1.324 -","- C304 Cl133.008 O5.296 P5.296 -","4","0.5","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.3342","0.117","","","0.2498","0.2826","","","","","","1.034","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016982","11.9048","0.001","16.9791","0.0014","14.2772","0.0012","90","","93.66","0.001","90","","2880","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 Cl2 Co N O9 P3 Ru -","- C19 H38 Cl2 Co N O9 P3 Ru -","- C76 H152 Cl8 Co4 N4 O36 P12 Ru4 -","4","1","","Ip, Ho-Fai; Yi, Xiao-Yi; Wong, Wai-Yeung; Williams, Ian D.; Leung, Wa-Hung","Synthesis, structures and reactivity of ruthenium nitrosyl complexes containing Kläui's oxygen tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11043","11050","10.1039/c1dt10306g","","","0.71073","MoKα","","0.0602","0.0334","","","0.0646","0.0733","","","","","","1.002","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016983","12.103","0.0003","12.3909","0.0003","22.2152","0.0012","90","","103.052","0.004","90","","3245.5","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H42 Cl2 Co N O9 P3 Ru -","- C23 H42 Cl2 Co N O9 P3 Ru -","- C92 H168 Cl8 Co4 N4 O36 P12 Ru4 -","4","1","","Ip, Ho-Fai; Yi, Xiao-Yi; Wong, Wai-Yeung; Williams, Ian D.; Leung, Wa-Hung","Synthesis, structures and reactivity of ruthenium nitrosyl complexes containing Kläui's oxygen tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11043","11050","10.1039/c1dt10306g","","","1.54178","CuKα","","0.0617","0.0509","","","0.1213","0.1264","","","","","","1.023","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016984","10.2031","0.0014","10.7139","0.0014","12.519","0.0017","89.323","0.002","79.401","0.002","85.973","0.003","1341.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H35 Cl2 Co O9 P3 Ru -","- C17 H30 Cl2 Co O9 P3 Ru -","- C34 H60 Cl4 Co2 O18 P6 Ru2 -","2","1","","Ip, Ho-Fai; Yi, Xiao-Yi; Wong, Wai-Yeung; Williams, Ian D.; Leung, Wa-Hung","Synthesis, structures and reactivity of ruthenium nitrosyl complexes containing Kläui's oxygen tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11043","11050","10.1039/c1dt10306g","","","0.71073","MoKα","","0.0745","0.0481","","","0.1049","0.112","","","","","","0.998","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016985","10.1126","0.0004","12.8269","0.0004","13.2733","0.0005","76.35","0.003","88.177","0.003","89.41","0.003","1672.24","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H36 Cl6 Co O9 P3 Ru -","- C18 H28 Cl6 Co O9 P3 Ru -","- C36 H56 Cl12 Co2 O18 P6 Ru2 -","2","1","","Ip, Ho-Fai; Yi, Xiao-Yi; Wong, Wai-Yeung; Williams, Ian D.; Leung, Wa-Hung","Synthesis, structures and reactivity of ruthenium nitrosyl complexes containing Kläui's oxygen tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11043","11050","10.1039/c1dt10306g","","","1.54178","CuKα","","0.0456","0.0429","","","0.1174","0.1197","","","","","","1.038","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016986","21.501","0.003","14.5812","0.0019","26.604","0.003","90","","103.057","0.002","90","","8125","1.8","173","","175","","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H91 B2 Co2 F8 N6 O18.5 P6 Ru2 -","- C56 H91 B2 Co2 F8 N6 O18.5 P6 Ru2 -","- C224 H364 B8 Co8 F32 N24 O74 P24 Ru8 -","4","1","","Ip, Ho-Fai; Yi, Xiao-Yi; Wong, Wai-Yeung; Williams, Ian D.; Leung, Wa-Hung","Synthesis, structures and reactivity of ruthenium nitrosyl complexes containing Kläui's oxygen tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11043","11050","10.1039/c1dt10306g","","","0.71073","MoKα","","0.0898","0.0541","","","0.0971","0.105","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016987","21.501","0.003","14.5812","0.0019","26.604","0.003","90","","103.057","0.002","90","","8125","1.8","175","","175","","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C56 H91 B2 Co2 F8 N6 O18.5 P6 Ru2 -","- C56 H51 B1.5 Co2 F8 N6 O18.5 P6 Ru2 -","- C224 H204 B6 Co8 F32 N24 O74 P24 Ru8 -","4","1","","Ip, Ho-Fai; Yi, Xiao-Yi; Wong, Wai-Yeung; Williams, Ian D.; Leung, Wa-Hung","Synthesis, structures and reactivity of ruthenium nitrosyl complexes containing Kläui's oxygen tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11043","11050","10.1039/c1dt10306g","","","0.71073","MoKα","","0.0904","0.0549","","","0.1054","0.1144","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016988","13.2","0.001","13.2","0.001","7.117","0.001","90","","90","","120","","1073.93","0.19","173","2","173","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C12 H23 Br5 N6 -","- C12 H22.98 Br5 N6 -","- C24 H45.96 Br10 N12 -","2","0.166667","","Driver, Gordon W.; Mutikainen, Ilpo","The complex story of a simple Brønsted acid: Unusual speciation of HBr in an ionic liquid medium.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10801","10803","10.1039/c1dt10427f","","","0.71073","MoKα","","0.052","0.0364","","","0.0789","0.0895","","","","","","1.183","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016989","10.0732","0.0003","23.3283","0.0005","10.6167","0.0003","90","","112.066","0.001","90","","2312.08","0.11","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N8 -","- C28 H22 N8 -","- C112 H88 N32 -","4","1","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0701","0.0459","","","0.1203","0.1297","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016990","14.0601","0.0004","14.213","0.0004","17.9485","0.0005","79.627","0.002","73.886","0.001","70.046","0.001","3224.48","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H46 B F24 Ir N8 -","- C68 H46 B F24 Ir N8 -","- C136 H92 B2 F48 Ir2 N16 -","2","1","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0433","0.0288","","","0.063","0.0666","","","","","","1.091","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016991","12.631","0.0003","13.8922","0.0003","18.4681","0.0004","95.388","0.001","100.973","0.001","108.21","0.001","2980.9","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H90 B2 F48 Ir2 N8 O10 -","- C112 H90 B2 F48 Ir2 N8 O10 -","- C112 H90 B2 F48 Ir2 N8 O10 -","1","0.5","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0485","0.0327","","","0.0797","0.0859","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016992","13.1567","0.0003","26.1697","0.0005","15.2518","0.0003","90","","103.404","0.001","90","","5108.25","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100.2 H66.4 B2 Cl0.4 F48 Ir2 N8 -","- C100.2 H66.4 B2 Cl0.4 F48 Ir2 N8 -","- C200.4 H132.8 B4 Cl0.8 F96 Ir4 N16 -","2","0.5","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0505","0.0329","","","0.0716","0.0757","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016993","13.1485","0.0003","26.174","0.0006","15.2911","0.0003","90","","103.588","0.001","90","","5115.12","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100.3 H66.6 B2 Cl0.6 F48 N8 Rh2 -","- C100.3 H66.6 B2 Cl0.6 F48 N8 Rh2 -","- C200.6 H133.2 B4 Cl1.2 F96 N16 Rh4 -","2","0.5","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0521","0.039","","","0.0983","0.1034","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016994","16.1319","0.0003","19.1238","0.0004","31.7567","0.0006","90","","103.648","0.001","90","","9520.4","0.3","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C88.125 H42.25 B2 Cl0.25 F48 N8 O4 Rh2 -","- C88.125 H42.25 B2 Cl0.25 F48 N8 O4 Rh2 -","- C352.5 H169 B8 Cl F192 N32 O16 Rh8 -","4","2","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0613","0.045","","","0.1069","0.1141","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016995","13.2724","0.0004","25.0291","0.0007","19.2865","0.0005","90","","108.476","0.001","90","","6076.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 B F24 Ir N8 -","- C60 H42 B F24 Ir N8 -","- C240 H168 B4 F96 Ir4 N32 -","4","1","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0646","0.0477","","","0.1228","0.1281","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016996","38.2718","0.0004","14.0298","0.0001","25.8175","0.0003","90","","121.802","0.002","90","","11781.5","0.3","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C221 H150 B4 Cl10 F96 N16 Rh4 -","- C221 H150 B4 Cl10 F96 N16 Rh4 -","- C442 H300 B8 Cl20 F192 N32 Rh8 -","2","0.5","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0466","0.0414","","","0.1077","0.1113","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016997","12.5673","0.0001","17.6438","0.0002","24.3971","0.0002","86.7","0.001","89.24","0.001","77.418","0.001","5271.02","0.09","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H68 B2 Cl2 F48 Ir2 N8 -","- C101 H68 B2 Cl2 F48 Ir2 N8 -","- C202 H136 B4 Cl4 F96 Ir4 N16 -","2","1","","Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.","Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11031","11042","10.1039/c1dt10499c","","","0.71073","MoKα","","0.0529","0.0389","","","0.1019","0.1085","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016998","17.4477","0.0008","17.4477","0.0008","17.2562","0.0016","90","","90","","90","","5253.2","0.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C44 H60 Cl4 Co4 N8 O8 -","- C44 H60 Cl4 Co4 N8 O8 -","- C176 H240 Cl16 Co16 N32 O32 -","4","0.25","","Zhang, Shu-Hua; Ma, Lu-Fang; Zou, Hua-Hong; Wang, Yin Guang; Liang, Hong; Zeng, Ming Hua","Anion induced diversification from heptanuclear to tetranuclear clusters: Syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11402","11409","10.1039/c1dt10517e","","","0.71073","MoKα","","0.0436","0.037","","","0.1021","0.109","","","","","","1.063","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016999","20.2022","0.001","20.2022","0.001","27.387","0.003","90","","90","","120","","9679.9","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H110 Cl2 Co7 N24 O33 -","- C96 H110 Cl2 Co7 N24 O33 -","- C288 H330 Cl6 Co21 N72 O99 -","3","0.166667","","Zhang, Shu-Hua; Ma, Lu-Fang; Zou, Hua-Hong; Wang, Yin Guang; Liang, Hong; Zeng, Ming Hua","Anion induced diversification from heptanuclear to tetranuclear clusters: Syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11402","11409","10.1039/c1dt10517e","","","0.71073","MoKα","","0.0993","0.0659","","","0.1784","0.2176","","","","","","1.053","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7017000","18.347","0.004","19.007","0.004","16.286","0.003","90","","121.66","0.03","90","","4834","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Co4 N8 O14 -","- C42 H48 Co4 N8 O14 -","- C168 H192 Co16 N32 O56 -","4","0.5","","Zhang, Shu-Hua; Ma, Lu-Fang; Zou, Hua-Hong; Wang, Yin Guang; Liang, Hong; Zeng, Ming Hua","Anion induced diversification from heptanuclear to tetranuclear clusters: Syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11402","11409","10.1039/c1dt10517e","","","0.71073","MoKα","","0.0801","0.0474","","","0.1241","0.1598","","","","","","1.059","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017001","18.0338","0.0006","10.0401","0.0003","27.4941","0.0009","90","","92.412","0.01","90","","4973.7","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-di-tert-butyl-6-(5-methyl-1H-pyrazol-3-yl)phenol","","- C18 H26 N2 O -","- C18 H26 N2 O -","- C216 H312 N24 O12 -","12","3","","Zats, Galina M.; Arora, Himanshu; Lavi, Ronit; Yufit, Dmitry; Benisvy, Laurent","Phenolate and phenoxyl radical complexes of Cu(ii) and Co(iii), bearing a new redox active N,O-phenol-pyrazole ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10889","10896","10.1039/c1dt10615e","","","0.71073","MOKα","","0.1308","0.0498","","","0.0812","0.0912","","","","","","1.018","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017002","17.3973","0.0005","10.2763","0.0003","9.3303","0.0003","90","","91.83","0.01","90","","1667.22","0.09","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Cu N4 O2 -","- C36 H50 Cu N4 O2 -","- C72 H100 Cu2 N8 O4 -","2","0.5","","Zats, Galina M.; Arora, Himanshu; Lavi, Ronit; Yufit, Dmitry; Benisvy, Laurent","Phenolate and phenoxyl radical complexes of Cu(ii) and Co(iii), bearing a new redox active N,O-phenol-pyrazole ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10889","10896","10.1039/c1dt10615e","","","0.71073","MOKα","","0.0706","0.0479","","","0.1193","0.1312","","","","","","0.943","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017003","12.9851","0.0006","31.8067","0.0016","13.1765","0.0007","90","","93.63","0.02","90","","5431.1","0.5","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H75 Co N6 O3 -","- C54 H75 Co N6 O3 -","- C216 H300 Co4 N24 O12 -","4","1","","Zats, Galina M.; Arora, Himanshu; Lavi, Ronit; Yufit, Dmitry; Benisvy, Laurent","Phenolate and phenoxyl radical complexes of Cu(ii) and Co(iii), bearing a new redox active N,O-phenol-pyrazole ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10889","10896","10.1039/c1dt10615e","","","0.71073","MOKα","","0.151","0.0692","","","0.1642","0.1918","","","","","","0.956","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017004","8.4093","0.0002","10.7388","0.0002","11.6666","0.0002","93.6671","0.0011","109.624","0.0011","90.8995","0.0009","989.56","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl7 Co N3 -","- C16 H11 Cl7 Co N3 -","- C32 H22 Cl14 Co2 N6 -","2","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Environmental control of solution speciation in cobalt(ii) 2,2':6',2''-terpyridine complexes: anion and solvent dependence.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11441","11450","10.1039/c1dt10757g","","","0.71073","MoKα","","0.0462","0.0321","","0.0488","0.0335","0.0335","","","","","","1.0685","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017005","8.5363","0.0001","10.9131","0.0002","11.4735","0.0002","104.309","0.0008","97.049","0.0008","110.523","0.0008","943.78","0.03","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Cl Co N3 O4 -","- C19 H16 Cl Co N3 O4 -","- C38 H32 Cl2 Co2 N6 O8 -","2","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Environmental control of solution speciation in cobalt(ii) 2,2':6',2''-terpyridine complexes: anion and solvent dependence.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11441","11450","10.1039/c1dt10757g","","","0.71073","MoKα","","0.0431","0.0298","","0.0466","0.0328","0.0328","","","","","","1.0738","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017006","8.1976","0.0016","10.949","0.002","11.25","0.002","93.9","0.03","107","0.03","94.79","0.03","957.7","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Co N3 O5 -","- C20 H19 Co N3 O5 -","- C40 H38 Co2 N6 O10 -","2","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Environmental control of solution speciation in cobalt(ii) 2,2':6',2''-terpyridine complexes: anion and solvent dependence.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11441","11450","10.1039/c1dt10757g","","","0.71073","MoKα","","0.0358","0.0344","","","0.0899","0.0908","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017007","19.5517","0.0006","8.9285","0.0003","17.7411","0.0005","90","","92.404","0.001","90","","3094.29","0.17","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 Co N3 O -","- C16 H13 Cl2 Co N3 O -","- C128 H104 Cl16 Co8 N24 O8 -","8","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Environmental control of solution speciation in cobalt(ii) 2,2':6',2''-terpyridine complexes: anion and solvent dependence.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11441","11450","10.1039/c1dt10757g","","","0.71073","MoKα","","0.0265","0.0228","","0.0357","0.0232","0.0213","","","","","","1.0497","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017008","8.8923","0.0002","20.3307","0.0004","10.2934","0.0002","90","","105.891","0.001","90","","1789.79","0.06","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Co N5 O8 -","- C16 H15 Co N5 O8 -","- C64 H60 Co4 N20 O32 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Environmental control of solution speciation in cobalt(ii) 2,2':6',2''-terpyridine complexes: anion and solvent dependence.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11441","11450","10.1039/c1dt10757g","","","0.71073","MoKα","","0.0588","0.0328","","0.0663","0.0322","0.03","","","","","","1.1071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017009","8.6543","0.0002","12.1291","0.0003","12.755","0.003","77.66","0.002","85.33","0.002","74.219","0.002","1258.3","0.3","153","2","153","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19 H19 Cu F12 N4 O5 -","- C19 H19 Cu F12 N4 O5 -","- C38 H38 Cu2 F24 N8 O10 -","2","1","","Allão, R A; Jordão, A K; Resende, J. A. L. C.; Cunha, A. C.; Ferreira, V. F.; Novak, M. A.; Sangregorio, C.; Sorace, L.; Vaz, M. G. F.","Determination of the relevant magnetic interactions in low-dimensional molecular materials: the fundamental role of single crystal high frequency EPR.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10843","10850","10.1039/c1dt10780a","","x-ray","0.71073","MoKα","","0.0301","0.0253","","","0.0666","0.0679","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017010","13.629","0.002","16.504","0.003","16.554","0.003","112.529","0.002","96.328","0.002","104.184","0.002","3246.8","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C147 H184 Cl2 N10 O4 Zn2 -","- C147 H184 Cl2 N10 O4 Zn2 -","- C147 H184 Cl2 N10 O4 Zn2 -","1","0.5","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.6709","synchrotron","","0.1045","0.0615","","0.0774","0.0621","0.0621","","","","","","1.1489","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017011","13.465","0.002","16.552","0.003","16.697","0.003","112.645","0.002","95.228","0.002","103.286","0.002","3275","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C147 H187 Cl3 N10 O4 -","- C147 H187 Cl3 N10 O4 -","- C147 H187 Cl3 N10 O4 -","1","0.5","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.6709","synchrotron","","0.1697","0.1088","","0.1448","0.116","0.116","","","","","","1.1925","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017012","5.721","0.0003","14.972","0.0007","15.157","0.0014","96.58","0.002","100.95","0.003","96.31","0.0016","1254.64","0.15","150","","150","","","","","","","","?","5","P -1","-P 1","2","","","","- C60 H72 F4 N4 Zn -","- C60 H72 F4 N4 Zn -","- C60 H72 F4 N4 Zn -","1","0.5","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.71073","MoKα","","0.1156","0.0696","","0.0952","0.0736","0.0736","","","","","","1.0782","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017013","8.1034","0.0002","13.3167","0.0003","13.5586","0.0004","106.054","0.001","95.4992","0.001","105.847","0.0015","1329.18","0.06","180","","180","","","","","","","","?","5","P -1","-P 1","2","","","","- C60 H66 F10 N4 Zn -","- C60 H66 F10 N4 Zn -","- C60 H66 F10 N4 Zn -","1","0.5","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.71073","MoKα","","0.0563","0.0445","","0.0596","0.0544","0.0544","","","","","","1.2213","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017014","8.243","0.0002","13.0858","0.0003","13.5204","0.0004","76.6654","0.0011","85.1757","0.0011","79.985","0.0016","1395.98","0.06","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H84 N4 O4 Zn -","- C64 H84 N4 O4 Zn -","- C64 H84 N4 O4 Zn -","1","0.5","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.71073","MoKα","","0.0574","0.0439","","0.0573","0.0522","0.0522","","","","","","1.0937","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017015","16.017","0.001","8.561","0.001","22.982","0.001","90","","90","","90","","3151.3","0.4","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H38 N2 O4 -","- C38 H38 N2 O4 -","- C152 H152 N8 O16 -","4","1","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.71073","MoKα","","0.0523","0.0451","","","0.1196","0.1251","","","","","","1.101","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017016","9.207","0.001","12.543","0.001","17.287","0.001","88.83","0.02","86.38","0.03","87.52","0.03","1990.2","0.3","150","","150","","","","","","","","?","5","P -1","-P 1","2","","","","- C92 H114 N6 O6 Zn -","- C92 H114 N6 O6 Zn -","- C92 H114 N6 O6 Zn -","1","0.5","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.6775","synchrotron","","0.0479","0.0348","","0.0429","0.0396","0.0396","","","","","","1.1401","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017017","15.952","0.006","9.578","0.004","27.437","0.01","90","","93.065","0.006","90","","4186","3","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H106 Cl2 N8 O9 Zn -","- C87 H108.08 Cl2 N8 O9.04 Zn -","- C174 H216.16 Cl4 N16 O18.08 Zn2 -","2","1","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.6775","synchrotron","","0.2164","0.1264","","0.2266","0.139","0.139","","","","","","1.1586","","","","has coordinates,has disorder","209453","2020-10-21","18:00:00",""
"7017018","13.9065","0.0011","16.3006","0.0013","17.908","0.002","105.98","0.002","94.52","0.002","115.136","0.001","3442.5","0.5","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H108 N4 Zn -","- C76 H108 N4 Zn -","- C152 H216 N8 Zn2 -","2","1","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.71069","synchrotron","","0.1351","0.1012","","0.131","0.1117","0.1117","","","","","","1.1307","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017019","8.2012","0.0002","12.8303","0.0004","13.6161","0.0004","73.4069","0.0016","84.6669","0.0016","89.6182","0.0012","1366.83","0.07","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H74 F8 N4 O2 Zn -","- C62 H76 F8 N4 O2 Zn -","- C62 H76 F8 N4 O2 Zn -","1","0.5","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.71073","MoKα","","0.075","0.058","","0.0781","0.0676","0.0676","","","","","","0.9926","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017020","5.7169","0.0001","14.8893","0.0003","15.0975","0.0004","95.7726","0.001","100.812","0.0011","96.9559","0.0012","1242.94","0.05","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H71 F2 N4 Zn -","- C60 H71 F2 N4 Zn -","- C60 H71 F2 N4 Zn -","1","0.5","","Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.","Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10833","10842","10.1039/c1dt10880h","","","0.71073","MoKα","","0.1091","0.092","","0.116","0.1026","0.1026","","","","","","1.086","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017021","8.8795","0.0008","9.2278","0.0011","23.73","0.002","90","","90","","90","","1944.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Barwiolek, Magdalena; Szlyk, Edward; Muzioł, Tadeusz M; Lis, Tadeusz","Structural and luminescence studies of nickel(ii) and copper(ii) complexes with (1R,2R)-cyclohexanediamine derived unsymmetric Schiff base.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11012","11022","10.1039/c1dt10882d","","x-ray","0.71073","MoKα","","0.1007","0.0581","","","0.1236","0.1385","","","","","","1.008","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017022","23.01","0.01","7.611","0.003","25.273","0.011","90","","105.25","0.05","90","","4270","3","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H27.5 Cu N2 O3.75 -","- C25 H24.5 Cu N2 O3.75 -","- C200 H196 Cu8 N16 O30 -","8","2","","Barwiolek, Magdalena; Szlyk, Edward; Muzioł, Tadeusz M; Lis, Tadeusz","Structural and luminescence studies of nickel(ii) and copper(ii) complexes with (1R,2R)-cyclohexanediamine derived unsymmetric Schiff base.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11012","11022","10.1039/c1dt10882d","","","0.71073","MoKα","","0.1857","0.076","","","0.1001","0.1116","","","","","","0.946","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017023","10.735","0.005","7.029","0.005","13.608","0.005","90","0.005","109.139","0.005","90","0.005","970.1","0.9","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H19 Au N5 P S -","- C12 H19 Au N5 P S -","- C24 H38 Au2 N10 P2 S2 -","2","0.5","","Vergara, Elena; Cerrada, Elena; Clavel, Catherine; Casini, Angela; Laguna, Mariano","Thiolato gold(i) complexes containing water-soluble phosphane ligands: a characterization of their chemical and biological properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10927","10935","10.1039/c1dt10892a","","","0.71069","MoKα","","0.0515","0.0369","","","0.0811","0.0832","","","","","","0.97","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017024","6.0539","0.001","10.5087","0.0018","15.828","0.003","97.007","0.003","96.101","0.003","98.188","0.003","981.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Au N4 O4 P S -","- C16 H20 Au N4 O4 P S -","- C32 H40 Au2 N8 O8 P2 S2 -","2","1","","Vergara, Elena; Cerrada, Elena; Clavel, Catherine; Casini, Angela; Laguna, Mariano","Thiolato gold(i) complexes containing water-soluble phosphane ligands: a characterization of their chemical and biological properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10927","10935","10.1039/c1dt10892a","","","0.71069","MoKα","","0.0481","0.0423","","","0.1081","0.1111","","","","","","1.055","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017025","11.1408","0.0017","17.344","0.002","12.795","0.002","90","","97.784","0.011","90","","2449.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N4 Rh2 S2 -","- C24 H34 N4 Rh2 S2 -","- C96 H136 N16 Rh8 S8 -","4","1","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0258","0.0223","","","0.0554","0.0567","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017026","18.847","0.004","11.036","0.002","30.704","0.006","90","","99.28","0.03","90","","6303","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N6 Rh2 S2 -","- C26 H40 N6 Rh2 S2 -","- C208 H320 N48 Rh16 S16 -","8","2","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0943","0.0676","","","0.1304","0.1407","","","","","","1.119","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017027","6.742","0.0004","24.9787","0.0015","14.0857","0.0008","90","","100.743","0.001","90","","2330.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O4 Rh2 S2 -","- C19 H18 N4 O4 Rh2 S2 -","- C76 H72 N16 O16 Rh8 S8 -","4","1","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0834","0.0402","","","0.0864","0.0984","","","","","","1.062","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017028","18.748","0.004","13.648","0.003","21.383","0.004","90","","109.1","0.03","90","","5170","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H48 N4 O2 P2 Rh2 S2 -","- C53 H48 N4 O2 P2 Rh2 S2 -","- C212 H192 N16 O8 P8 Rh8 S8 -","4","1","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0359","0.027","","","0.0639","0.0658","","","","","","0.9","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017029","11.37","0.002","12.483","0.003","17.364","0.004","94.83","0.03","95.12","0.03","102.3","0.03","2384.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 N6 O2 P2 Rh2 S2 -","- C48 H46 N6 O2 P2 Rh2 S2 -","- C96 H92 N12 O4 P4 Rh4 S4 -","2","1","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0678","0.0423","","","0.0869","0.0933","","","","","","0.986","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017030","16.991","0.003","19.586","0.004","11.929","0.002","90","","90","","90","","3969.8","1.3","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C83 H78 Cl2 N6 O12 P4 Rh2 S2 -","- C83 H78 Cl2 N6 O12 P4 Rh2 S2 -","- C166 H156 Cl4 N12 O24 P8 Rh4 S4 -","2","0.5","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0247","0.0236","","","0.0633","0.0678","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017031","8.3024","0.0017","21.086","0.004","21.516","0.004","90","","93.42","0.03","90","","3760","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 F6 N6 P Rh3 S2 -","- C34 H52 F6 N6 P Rh3 S2 -","- C136 H208 F24 N24 P4 Rh12 S8 -","4","1","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0476","0.0384","","","0.0831","0.0864","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017032","16.757","0.003","16.186","0.003","11.502","0.002","90","","132.53","0.03","90","","2299","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 B F4 N4 O6 Rh3 S2 -","- C14 H10 B F4 N4 O6 Rh3 S2 -","- C56 H40 B4 F16 N16 O24 Rh12 S8 -","4","0.5","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.058","0.054","","","0.1159","0.1175","","","","","","1.316","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017033","11.9817","0.0008","15.4685","0.0011","18.5724","0.0013","104.309","0.001","93.037","0.001","99.896","0.001","3269.3","0.4","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C66 H57 B Cl2 F4 N4 O3 P3 Rh3 S2 -","- C66 H57 B Cl2 F4 N4 O3 P3 Rh3 S2 -","- C132 H114 B2 Cl4 F8 N8 O6 P6 Rh6 S4 -","2","1","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.1625","0.0628","","","0.1227","0.1622","","","","","","0.962","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017034","11.673","0.002","16.606","0.003","21.794","0.004","70.04","0.03","80.29","0.03","76.75","0.03","3846.2","1.5","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H67 Cl6 F6 N6 O3 P4 Rh3 S2 -","- C70 H67 Cl6 F6 N6 O3 P4 Rh3 S2 -","- C140 H134 Cl12 F12 N12 O6 P8 Rh6 S4 -","2","1","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0749","0.0516","","","0.1141","0.1235","","","","","","1.005","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017035","10.979","0.002","13.334","0.003","13.909","0.003","99.01","0.03","109","0.03","114.02","0.03","1657.1","1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C22 H26 B Cl4 F4 N4 O4 Rh3 S2 -","- C22 H26 B Cl4 F4 N4 O4 Rh3 S2 -","- C44 H52 B2 Cl8 F8 N8 O8 Rh6 S4 -","2","1","","Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit","The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11497","11510","10.1039/c1dt10930h","","","0.71073","MoKα","","0.0876","0.081","","","0.2144","0.2188","","","","","","1.168","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017036","12.2261","0.0005","13.3635","0.0005","19.845","0.0008","103.477","0.003","90.516","0.003","113.362","0.002","2875.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bis(pyridine-4-nitrile)bis(eta$1!-4-nitrobenzoato)cobalt(ii)","Bis(pyridine-4-nitrile)bis(<i>η</i>^1^-4-nitrobenzoato)cobalt(II)","","- C48 H50 Co2 N12 O17 -","- C48 H50 Co2 N12 O17 -","- C96 H100 Co4 N24 O34 -","2","1","","Chakravorty, Stutee; Platts, James A.; Das, Birinchi K.","Novel C-HC contacts involving 3,5-dimethylpyrazole ligands in a tetracoordinate Co(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11605","11612","10.1039/c1dt10948k","","","0.71073","MoKα","","0.2804","0.0854","","","0.1827","0.259","","","","","","0.908","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017037","6.801","0.002","11.254","0.004","13.33","0.005","89.908","0.012","81.324","0.01","77.667","0.01","984.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16.5 H9 Cl Fe2 N2 O6 S2 -","- C16.5 H8 Cl Fe2 N2 O6 S2 -","- C33 H16 Cl2 Fe4 N4 O12 S4 -","2","1","","Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M.","Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10907","10917","10.1039/c1dt10953g","","","0.71073","MoKα","","","0.0463","","","0.1376","0.1584","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017038","9.2471","0.0006","12.8115","0.0008","16.3337","0.001","98.516","0.004","95.659","0.002","96.527","0.003","1888.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 Fe2 N2 O5 P2 S2 -","- C40 H30 Fe2 N2 O5 P2 S2 -","- C80 H60 Fe4 N4 O10 P4 S4 -","2","1","","Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M.","Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10907","10917","10.1039/c1dt10953g","","","0.71073","MoKα","","","0.0451","","","0.1075","0.1294","","","","","","1.005","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017039","10.199","0.007","13.712","0.009","14.582","0.009","92.981","0.008","91.827","0.007","100.728","0.013","1999","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H32 Cl2 Fe2 N2 O4 P2 S2 -","- C40 H32 Cl2 Fe2 N2 O4 P2 S2 -","- C80 H64 Cl4 Fe4 N4 O8 P4 S4 -","2","1","","Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M.","Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10907","10917","10.1039/c1dt10953g","","","0.71073","MoKα","","","0.05","","","0.1364","0.1704","","","","","","1.026","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017040","10.518","0.006","11.149","0.006","18.267","0.011","86.244","0.012","88.721","0.011","87.302","0.013","2135","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H34 Cl4 Fe2 N2 O4 P2 S2 -","- C41 H34 Cl4 Fe2 N2 O4 P2 S2 -","- C82 H68 Cl8 Fe4 N4 O8 P4 S4 -","2","1","","Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M.","Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10907","10917","10.1039/c1dt10953g","","","0.71073","MoKα","","","0.0748","","","0.1936","0.2115","","","","","","1.087","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017041","6.934","0.004","12.827","0.007","13.646","0.007","87.864","0.011","86.76","0.012","81.66","0.012","1198.4","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H23 Fe2 N2 O5 P S2 -","- C21 H23 Fe2 N2 O5 P S2 -","- C42 H46 Fe4 N4 O10 P2 S4 -","2","1","","Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M.","Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10907","10917","10.1039/c1dt10953g","","","0.71073","MoKα","","","0.0424","","","0.1327","0.1575","","","","","","1.051","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017042","9.3335","0","12.7331","0.0001","14.296","0.0002","93.811","0.011","105.134","0.007","109.359","0.007","1525.35","0.12","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H23 Cl0 Fe2 N2 O5 P S2 -","- C33 H23 Fe2 N2 O5 P S2 -","- C66 H46 Fe4 N4 O10 P2 S4 -","2","1","","Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M.","Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10907","10917","10.1039/c1dt10953g","","","0.71073","MoKα","","","0.0373","","","0.0913","0.1065","","","","","","1.065","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017043","9.174","0.004","11.761","0.006","13.765","0.007","89.067","0.015","81.459","0.014","72.711","0.01","1401.7","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Cl2 Fe2 N3 O6 S2 -","- C21 H21 Cl2 Fe2 N3 O6 S2 -","- C42 H42 Cl4 Fe4 N6 O12 S4 -","2","1","","Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M.","Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10907","10917","10.1039/c1dt10953g","","","0.71073","MoKα","","","0.0592","","","0.1602","0.1777","","","","","","1.007","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017044","10.39","0.003","11.082","0.003","13.014","0.004","85.726","0.008","86.282","0.007","68.586","0.006","1390","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl0 Fe2 N4 O4 S2 -","- C24 H26 Fe2 N4 O4 S2 -","- C48 H52 Fe4 N8 O8 S4 -","2","1","","Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M.","Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10907","10917","10.1039/c1dt10953g","","","0.71073","MoKα","","0.0664","0.0451","","","0.1064","0.1344","","","","","","1.003","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017045","11.443","0.0011","17.209","0.0017","17.99","0.0017","90.543","0.004","99.623","0.018","103.398","0.018","3393.4","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H26 F4 Ir N5 O2 -","- C39 H26 F4 Ir N5 O2 -","- C156 H104 F16 Ir4 N20 O8 -","4","2","","Jiang, Weili; Lou, Bin; Wang, Jianqiang; Lv, Hongbin; Bian, Zuqiang; Huang, Chunhui","The influence of triplet energy levels of bridging ligands on energy transfer processes in Ir(iii)/Eu(iii) dyads.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11410","11418","10.1039/c1dt10968e","","","0.71075","MoKα","","0.0557","0.0441","","","0.0902","0.0951","","","","","","1.093","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017046","12.502","0.0014","21.921","0.002","12.643","0.0015","90","","96.317","0.003","90","","3443.9","0.6","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H25 Cl2 F5 Ir N5 O2 -","- C39 H25 Cl2 F5 Ir N5 O2 -","- C156 H100 Cl8 F20 Ir4 N20 O8 -","4","1","","Jiang, Weili; Lou, Bin; Wang, Jianqiang; Lv, Hongbin; Bian, Zuqiang; Huang, Chunhui","The influence of triplet energy levels of bridging ligands on energy transfer processes in Ir(iii)/Eu(iii) dyads.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11410","11418","10.1039/c1dt10968e","","","0.71075","MoKα","","0.0402","0.0324","","","0.068","0.0705","","","","","","0.965","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017047","16.912","0.002","22.958","0.003","19.037","0.002","90","","107.182","0.003","90","","7061.5","1.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 F7 Ir N5 O4 -","- C37 H31 F7 Ir N5 O4 -","- C296 H248 F56 Ir8 N40 O32 -","8","2","","Jiang, Weili; Lou, Bin; Wang, Jianqiang; Lv, Hongbin; Bian, Zuqiang; Huang, Chunhui","The influence of triplet energy levels of bridging ligands on energy transfer processes in Ir(iii)/Eu(iii) dyads.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11410","11418","10.1039/c1dt10968e","","","0.71075","MoKα","","0.0726","0.0602","","","0.096","0.0998","","","","","","1.206","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017048","7.2233","0.0003","11.417","0.0004","20.3946","0.0008","90","","90","","90","","1681.91","0.11","296","2","296","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H17 Mn N4 O7 -","- C12 H13 Mn N4 O7 -","- C48 H52 Mn4 N16 O28 -","4","0.5","","Wang, Yan-Qin; Sun, Qian; Yue, Qi; Cheng, Ai-Ling; Song, You; Gao, En-Qing","Manganese(ii)-carboxylate-pseudohalide systems derived from 1,4-bis(4-carboxylatopyridinium-1-methylene)benzene: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10966","10974","10.1039/c1dt10977d","","","0.71073","MoKα","","0.0576","0.0384","","","0.1111","0.1293","","","","","","1.162","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017049","9.7321","0.0002","12.8829","0.0003","13.4251","0.0003","117.768","0.001","93.647","0.001","104.573","0.001","1408.95","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Mn2 N14 O7 -","- C21 H24 Mn2 N14 O7 -","- C42 H48 Mn4 N28 O14 -","2","1","","Wang, Yan-Qin; Sun, Qian; Yue, Qi; Cheng, Ai-Ling; Song, You; Gao, En-Qing","Manganese(ii)-carboxylate-pseudohalide systems derived from 1,4-bis(4-carboxylatopyridinium-1-methylene)benzene: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10966","10974","10.1039/c1dt10977d","","","0.71073","MoKα","","0.0417","0.0319","","","0.0802","0.0884","","","","","","0.921","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017050","9.5483","0.0004","11.1328","0.0004","13.181","0.0005","70.276","0.001","72.402","0.001","74.082","0.001","1233.83","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 Mn3 N10 O20 -","- C46 H44 Mn3 N10 O20 -","- C46 H44 Mn3 N10 O20 -","1","0.5","","Wang, Yan-Qin; Sun, Qian; Yue, Qi; Cheng, Ai-Ling; Song, You; Gao, En-Qing","Manganese(ii)-carboxylate-pseudohalide systems derived from 1,4-bis(4-carboxylatopyridinium-1-methylene)benzene: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10966","10974","10.1039/c1dt10977d","","","0.71073","MoKα","","0.0514","0.0366","","","0.0964","0.1073","","","","","","1.029","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017051","20.1006","0.0004","24.5598","0.0004","24.9957","0.0005","90","","105.786","0.002","90","","11874.2","0.4","123","1","123","1","","","","","","","see text","8","C 1 2/c 1","-C 2yc","15","","","","- C86 H178 Cl Co Li12 N23 O Si10 -","- C72 H162 Cl Co Li12 N23 O Si10 -","- C288 H648 Cl4 Co4 Li48 N92 O4 Si40 -","4","0.5","","Woodruff, Daniel; Bodensteiner, Michael; Sells, Daniel O.; Winpenny, Richard E. P.; Layfield, Richard A.","Synthesis and structure of cationic guanidinate-bridged bimetallic {Li(7)M} cubes (M = Mn, Co, Zn) with inverse crown counter anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10918","10923","10.1039/c1dt10999e","","x-ray","1.54178","CuKα","","0.0654","0.063","","","0.1748","0.1764","","","","","","1.088","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017052","16.4053","0.0003","16.4053","0.0003","21.4837","0.001","90","","90","","90","","5782","0.3","100","","100","","","","","","","","see text","5","P 42 b c","P 4c -2ab","106","","","","- C19 H48 Li3 N5 Si4 -","- C19 H48 Li3 N5 Si4 -","- C152 H384 Li24 N40 Si32 -","8","1","","Woodruff, Daniel; Bodensteiner, Michael; Sells, Daniel O.; Winpenny, Richard E. P.; Layfield, Richard A.","Synthesis and structure of cationic guanidinate-bridged bimetallic {Li(7)M} cubes (M = Mn, Co, Zn) with inverse crown counter anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10918","10923","10.1039/c1dt10999e","","x-ray","0.71073","MoKα","","0.0551","0.0393","","","0.0989","0.106","","","","","","0.995","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017053","20.1096","0.0012","24.4769","0.0015","24.9736","0.0017","90","","105.769","0.006","90","","11829.9","1.3","100","1","100","1","","","","","","","see text","8","C 1 2/c 1","-C 2yc","15","","","","- C86 H178 Cl Li12 Mn N23 O Si10 -","- C86 H162 Cl Li12 Mn N23 O Si10 -","- C344 H648 Cl4 Li48 Mn4 N92 O4 Si40 -","4","0.5","","Woodruff, Daniel; Bodensteiner, Michael; Sells, Daniel O.; Winpenny, Richard E. P.; Layfield, Richard A.","Synthesis and structure of cationic guanidinate-bridged bimetallic {Li(7)M} cubes (M = Mn, Co, Zn) with inverse crown counter anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10918","10923","10.1039/c1dt10999e","","x-ray","0.71073","MoKα","","0.1783","0.0857","","","0.1979","0.2215","","","","","","1.04","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017054","27.786","0.0013","24.423","0.0011","12.131","0.0007","90","","90","","90","","8232.3","0.7","100","2","100","","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C60 H126 Li7 N21 O Si6 Zn2 -","- C60 H126 Li7 N21 O Si6 Zn2 -","- C240 H504 Li28 N84 O4 Si24 Zn8 -","4","1","","Woodruff, Daniel; Bodensteiner, Michael; Sells, Daniel O.; Winpenny, Richard E. P.; Layfield, Richard A.","Synthesis and structure of cationic guanidinate-bridged bimetallic {Li(7)M} cubes (M = Mn, Co, Zn) with inverse crown counter anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10918","10923","10.1039/c1dt10999e","","","0.71073","MoKα","","0.1317","0.0481","","","0.115","0.1268","","","","","","0.876","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017055","9.9372","0.0004","17.2053","0.0006","20.881","0.0008","102.23","0.001","92.133","0.001","102.137","0.001","3398.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H50 N5 O18 Tb -","- C26 H33 N5 O18 Tb -","- C104 H132 N20 O72 Tb4 -","4","2","","Shiells, Emma J.; Natrajan, Louise S.; Sykes, Daniel; Tropiano, Manuel; Cooper, Paul; Kenwright, Alan M.; Faulkner, Stephen","Lanthanide complexes of DOTA monoamide derivatives bearing an isophthalate pendent arm.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11451","11457","10.1039/c1dt11029b","","","0.6813","Synchrotron","","0.0646","0.0382","","","0.0921","0.1021","","","","","","0.977","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017056","6.571","0.0002","10.9078","0.0003","12.5518","0.0003","90","","101.547","0.002","90","","881.44","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H26 Co N2 O14 S2 -","- C5 H20 Co N2 O14 S2 -","- C10 H40 Co2 N4 O28 S4 -","2","0.5","","Hajlaoui, Fadhel; Naïli, Houcine; Yahyaoui, Samia; Turnbull, Mark M.; Mhiri, Tahar; Bataille, Thierry","Synthesis, characterization and magnetic properties of four new organically templated metal sulfates [C(5)H(14)N(2)][M(II)(H(2)O)(6)](SO(4))(2), (M(II) = Mn, Fe, Co, Ni).","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11613","11620","10.1039/c1dt11030f","","","0.71073","MoKα","","0.0461","0.0426","","","0.1156","0.1191","","","","","","1.141","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017057","10.9273","0.0002","7.862","0.0001","11.7845","0.0003","90","","116.733","0.001","90","","904.2","0.03","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H26 Fe N2 O14 S2 -","- C5 H25 Fe N2 O14 S2 -","- C10 H50 Fe2 N4 O28 S4 -","2","0.5","","Hajlaoui, Fadhel; Naïli, Houcine; Yahyaoui, Samia; Turnbull, Mark M.; Mhiri, Tahar; Bataille, Thierry","Synthesis, characterization and magnetic properties of four new organically templated metal sulfates [C(5)H(14)N(2)][M(II)(H(2)O)(6)](SO(4))(2), (M(II) = Mn, Fe, Co, Ni).","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11613","11620","10.1039/c1dt11030f","","","0.71073","MoKα","","0.054","0.0431","","","0.107","0.1156","","","","","","1.06","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017058","6.6385","0.0001","11.0448","0.0002","12.6418","0.0002","90","","101.903","0.001","90","","906.98","0.03","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H26 Mn N2 O14 S2 -","- C5 H20 Mn N2 O14 S2 -","- C10 H40 Mn2 N4 O28 S4 -","2","0.5","","Hajlaoui, Fadhel; Naïli, Houcine; Yahyaoui, Samia; Turnbull, Mark M.; Mhiri, Tahar; Bataille, Thierry","Synthesis, characterization and magnetic properties of four new organically templated metal sulfates [C(5)H(14)N(2)][M(II)(H(2)O)(6)](SO(4))(2), (M(II) = Mn, Fe, Co, Ni).","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11613","11620","10.1039/c1dt11030f","","","0.71073","MoKα","","0.0434","0.0398","","","0.1009","0.1043","","","","","","1.085","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017059","10.8328","0.0002","7.8443","0.0001","11.679","0.0002","90","","116.826","0.001","90","","885.63","0.03","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H26 N2 Ni O14 S2 -","- C5 H25 N2 Ni O14 S2 -","- C10 H50 N4 Ni2 O28 S4 -","2","0.5","","Hajlaoui, Fadhel; Naïli, Houcine; Yahyaoui, Samia; Turnbull, Mark M.; Mhiri, Tahar; Bataille, Thierry","Synthesis, characterization and magnetic properties of four new organically templated metal sulfates [C(5)H(14)N(2)][M(II)(H(2)O)(6)](SO(4))(2), (M(II) = Mn, Fe, Co, Ni).","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11613","11620","10.1039/c1dt11030f","","","0.71073","MoKα","","0.0423","0.0414","","","0.1173","0.1179","","","","","","1.05","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017060","13.2518","0.0017","15.4056","0.0019","18.836","0.002","82.352","0.007","70.545","0.006","87.186","0.007","3593.5","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H76 N8 O28 Zn5 -","- C64 H76 N8 O28 Zn5 -","- C128 H152 N16 O56 Zn10 -","2","1","","Feltham, Humphrey L. C.; Klöwer, Frederik; Cameron, Scott A.; Larsen, David S.; Lan, Yanhua; Tropiano, Manuel; Faulkner, Stephen; Powell, Annie K.; Brooker, Sally","A family of 13 tetranuclear zinc(ii)-lanthanide(iii) complexes of a [3 + 3] Schiff-base macrocycle derived from 1,4-diformyl-2,3-dihydroxybenzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11425","11432","10.1039/c1dt11038a","","","0.71073","MoKα","","0.0313","0.0249","","","0.0604","0.0637","","","","","","1.037","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017061","12.6867","0.0014","14.948","0.0018","15.631","0.002","67.354","0.006","89.08","0.006","76.787","0.005","2654.8","0.6","92","2","92","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.7 H56.3 N12.9 O18.9 Pr Zn3 -","- C44.7 H56.3 N12.9 O18.9 Pr Zn3 -","- C89.4 H112.6 N25.8 O37.8 Pr2 Zn6 -","2","1","","Feltham, Humphrey L. C.; Klöwer, Frederik; Cameron, Scott A.; Larsen, David S.; Lan, Yanhua; Tropiano, Manuel; Faulkner, Stephen; Powell, Annie K.; Brooker, Sally","A family of 13 tetranuclear zinc(ii)-lanthanide(iii) complexes of a [3 + 3] Schiff-base macrocycle derived from 1,4-diformyl-2,3-dihydroxybenzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11425","11432","10.1039/c1dt11038a","","","0.71073","MoKα","","0.038","0.0321","","","0.0687","0.0729","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017062","23.979","0.003","23.979","0.003","13.13","0.002","90","","90","","90","","7549.7","1.8","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C38 H36 Cl2 Co2 N2 O8 -","- C38 H36 Cl2 Co2 N2 O8 -","- C304 H288 Cl16 Co16 N16 O64 -","8","0.5","","Jie, Suyun; Ai, Pengfei; Li, Bo-Geng","Highly active and stereospecific polymerization of 1,3-butadiene catalyzed by dinuclear cobalt(ii) complexes bearing 3-aryliminomethyl-2-hydroxybenzaldehydes.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10975","10982","10.1039/c1dt11073j","","","0.71073","MoKα","","","0.0616","","","0.1342","0.1857","","","","","","0.908","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017063","9.4286","0.0005","5.3264","0.0003","15.7265","0.0009","90","","107.162","0.002","90","","754.63","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O8 Tl2 -","- C10 H16 N2 O8 Tl2 -","- C20 H32 N4 O16 Tl4 -","2","1","","Bodner, Thomas; Wirnsberger, Bianca; Albering, Jörg; Wiesbrock, Frank","Anhydrous thallium hydrogen l-glutamate: polymer networks formed by sandwich layers of oxygen-coordinated thallium ions cores shielded by hydrogen l-glutamate counterions.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10885","10888","10.1039/c1dt11092f","","","0.71073","MoKα","","0.0297","0.0277","","","0.0707","0.0719","","","","","","1.1","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017064","8.358","0.003","10.068","0.003","11.971","0.004","89.947","0.003","85.21","0.003","67.715","0.003","928.3","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O4 -","- C21 H21 N3 O4 -","- C42 H42 N6 O8 -","2","1","","Huang, Liang; Cheng, Ju; Xie, Kefeng; Xi, Pinxian; Hou, Fengping; Li, Zhengpeng; Xie, Guoqiang; Shi, Yanjun; Liu, Hongyan; Bai, Decheng; Zeng, Zhengzhi","Cu(2+)-selective fluorescent chemosensor based on coumarin and its application in bioimaging.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10815","10817","10.1039/c1dt11123j","","","0.71073","MoKα","","0.097","0.0513","","","0.1014","0.1182","","","","","","0.974","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017065","8.369","0.003","13.433","0.005","24.915","0.01","90","","90.208","0.004","90","","2800.9","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cu N4 O9 -","- C25 H31 Cu N4 O9 -","- C100 H124 Cu4 N16 O36 -","4","1","","Huang, Liang; Cheng, Ju; Xie, Kefeng; Xi, Pinxian; Hou, Fengping; Li, Zhengpeng; Xie, Guoqiang; Shi, Yanjun; Liu, Hongyan; Bai, Decheng; Zeng, Zhengzhi","Cu(2+)-selective fluorescent chemosensor based on coumarin and its application in bioimaging.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10815","10817","10.1039/c1dt11123j","","","0.71073","MoKα","","0.0928","0.0699","","","0.2003","0.211","","","","","","1.159","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017066","8.3778","0.0004","10.1815","0.0005","13.4155","0.0007","105.12","0.001","97.661","0.001","108.884","0.001","1015.12","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Q-BODIPY","","","- C23 H24 B F2 N3 O2 -","- C23 H24 B F2 N3 O2 -","- C46 H48 B2 F4 N6 O4 -","2","1","","Zhong, Yihan; Si, Liping; He, Hongshan; Sykes, Andrew G.","BODIPY chromophores as efficient green light sensitizers for lanthanide-induced near-infrared emission.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11389","11395","10.1039/c1dt11137j","","","0.71073","MoKα","","0.0714","0.0608","","","0.1737","0.1832","","","","","","1.06","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017067","7.6854","0.0007","14.2972","0.0014","11.4501","0.0011","90","","107.077","0.001","90","","1202.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BODIPY","","","- C15 H15 B F2 -","- C15 H15 B F2 -","- C60 H60 B4 F8 -","4","1","","Zhong, Yihan; Si, Liping; He, Hongshan; Sykes, Andrew G.","BODIPY chromophores as efficient green light sensitizers for lanthanide-induced near-infrared emission.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11389","11395","10.1039/c1dt11137j","","","0.71073","MoKα","","0.0821","0.0706","","","0.2039","0.2173","","","","","","1.053","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017068","18.198","0.0012","18.198","0.0012","25.236","0.002","90","","90","","120","","7237.7","0.9","200","2","200","2","","","","","","","","9","P 63","P 6c","173","","","","- C60 H211 Cl2 Cu8 La2 N12 O75.5 Pd6 S12 -","- C60 H108 Cl1.99 Cu8 La2 N12 O75.5 Pd6 S12 -","- C120 H216 Cl3.98 Cu16 La4 N24 O151 Pd12 S24 -","2","0.333333","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.0497","0.0446","","","0.1129","0.1166","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017069","24.927","0.004","24.927","0.004","46.045","0.01","90","","90","","90","","28610","9","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H183 Ag8 Cl La2 N12 O62 Pd6 S12 -","- C62 H111 Ag8 Cl La2 N12 O62 Pd6 S12 -","- C496 H888 Ag64 Cl8 La16 N96 O496 Pd48 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71073","MoKα","","0.1111","0.0601","","","0.1384","0.1491","","","","","","0.933","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017070","24.4191","0.0005","24.4191","0.0005","47.638","0.0009","90","","90","","90","","28406.2","1","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H184 Ag8 Cl La2 N12 Ni6 O62.5 S12 -","- C62 H111 Ag8 Cl La2 N12 Ni6 O60 S12 -","- C496 H888 Ag64 Cl8 La16 N96 Ni48 O480 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.127","0.1151","","","0.2553","0.2628","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017071","24.8446","0.0013","24.8446","0.0013","47.2409","0.001","90","","90","","90","","29160","2","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H167 Ag8 Br La2 N12 O54 Pd6 S12 -","- C62 H111 Ag8 Br La2 N12 O54 Pd6 S12 -","- C496 H888 Ag64 Br8 La16 N96 O432 Pd48 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.111","0.0542","","","0.1299","0.141","","","","","","0.842","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017072","24.614","0.0019","24.614","0.0019","47.332","0.002","90","","90","","90","","28676","3","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H173 Ag8 I La2 N12 O57 Pd6 S12 -","- C62 H111 Ag8 I La2.03 N12 O57 Pd6 S12 -","- C496 H888 Ag64 I8 La16.24 N96 O456 Pd48 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.1572","0.0723","","","0.1496","0.1806","","","","","","0.955","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017073","24.605","0.0011","24.605","0.0011","46.814","0.002","90","","90","","90","","28341","2","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H162 Ag8 Cl La2 N12 O51.5 Pt6 S12 -","- C62 H111 Ag8 Cl La2.02 N12 O51.5 Pt6 S12 -","- C496 H888 Ag64 Cl8 La16.16 N96 O412 Pt48 S96 -","8","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.1142","0.0671","","","0.1592","0.1828","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017074","15.319","0.003","20.976","0.004","23.667","0.005","90","","105.245","0.007","90","","7337","3","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C60 H171 Cl3 Cu8 La2 N12 O55 Pd6 S12 -","- C60 H109 Cl3 Cu8 La2 N12 O55 Pd6 S12 -","- C120 H218 Cl6 Cu16 La4 N24 O110 Pd12 S24 -","2","1","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(ii) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71075","MoKα","","0.1207","0.0894","","","0.238","0.2701","","","","","","1.038","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017075","9.0396","0.0007","18.3375","0.0013","17.7856","0.0013","90","","94.796","0.004","90","","2937.9","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 B2 F6 N P2 -","- C26 H41 B2 F6 N P2 -","- C104 H164 B8 F24 N4 P8 -","4","1","","Demott, Jessica C.; Surawatanawong, Panida; Barnett, Shoshanna M.; Chen, Chun-Hsing; Foxman, Bruce M.; Ozerov, Oleg V.","Experimental and computational exploration of the dynamic behavior of (PNP)BF(2), a boron compound supported by an amido/bis(phosphine) pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11562","11570","10.1039/c1dt11172h","","","0.71073","MoKα","","0.0468","0.0364","","0.0892","0.083","0.0892","","","","","","0.9978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017076","13.715","0.004","15.645","0.004","12.476","0.003","90","","103.442","0.004","90","","2603.7","1.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 B F2 N P2 -","- C26 H40 B F2 N P2 -","- C104 H160 B4 F8 N4 P8 -","4","1","","Demott, Jessica C.; Surawatanawong, Panida; Barnett, Shoshanna M.; Chen, Chun-Hsing; Foxman, Bruce M.; Ozerov, Oleg V.","Experimental and computational exploration of the dynamic behavior of (PNP)BF(2), a boron compound supported by an amido/bis(phosphine) pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11562","11570","10.1039/c1dt11172h","","","0.71073","MoKα","","0.0834","0.0515","","0.1584","0.1241","0.1584","","","","","","0.9642","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017077","7.3707","0.0014","17.234","0.004","14.422","0.003","90","","91.646","0.01","90","","1831.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MoMn(bpy) Hofmann","{[Mn(H~2~O)(bpy)~0.5~][Mo(O)(CN)~4~(bpy)~0.5~] .2H~2~O","","- C14 H14 Mn Mo N6 O4 -","- C14 H14 Mn Mo N6 O4 -","- C56 H56 Mn4 Mo4 N24 O16 -","4","1","","Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Price, David J.; Kepert, Cameron J.","A new modification of an old framework: Hofmann layers with unusual tetracyanidometallate groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11621","11628","10.1039/c1dt11183c","","","0.71073","MoKα","","0.0563","0.0296","","","0.0637","0.0846","","","","","","1.151","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017078","7.362","0.0015","18.015","0.004","13.908","0.003","90","","90.52","0.03","90","","1844.5","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MnMn(bpy) Hofmann","{[Mn(H~2~O)(bpy)~0.5~][Mn(N)(CN)~4~(bpy)~0.5~] .2H~2~O","","- C14 H8 Mn2 N7 O3 -","- C14 H8 Mn2 N7 O3 -","- C56 H32 Mn8 N28 O12 -","4","1","","Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Price, David J.; Kepert, Cameron J.","A new modification of an old framework: Hofmann layers with unusual tetracyanidometallate groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11621","11628","10.1039/c1dt11183c","","","0.71246","synchrotron","","0.081","0.0809","","","0.2103","0.2104","","","","","","1.33","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017079","12.2987","0.0007","7.6559","0.0003","14.6269","0.0006","90","","106.545","0.005","90","","1320.21","0.11","150","","150","","","","","","","","","6","P 1 2/m 1","-P 2y","10","MoMn(bpa) Hofmann","{[Mn(H~2~O)~2~]~0.5~[Mn(bpa)~2~]~0.5~ [Mo(O)(CN)~4~(bpa)~0.5~]}.MeOH","","- C23 H18 Mn Mo N7 O3 -","- C22.5 H18 Mn Mo N7 O3 -","- C45 H36 Mn2 Mo2 N14 O6 -","2","0.5","","Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Price, David J.; Kepert, Cameron J.","A new modification of an old framework: Hofmann layers with unusual tetracyanidometallate groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11621","11628","10.1039/c1dt11183c","","","0.7107","MoKα","","0.0835","0.0718","","","0.1921","0.2038","","","","","","1.068","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017080","9.6385","0.0019","11.635","0.002","20.051","0.004","90","","90","","90","","2248.6","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N O S -","- C13 H11 N O S -","- C104 H88 N8 O8 S8 -","8","2","","Han, Yumiao; Luo, Qun; Hao, Xiang; Li, Xianchan; Wang, Fuyi; Hu, Wenbing; Wu, Kui; Lü, Shuang; Sadler, Peter J.","Reactions of an organoruthenium anticancer complex with 2-mercaptobenzanilide-a model for the active-site cysteine of protein tyrosine phosphatase 1B.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11519","11529","10.1039/c1dt11189b","","","0.71073","MoKα","","0.037","0.0355","","","0.0849","0.0859","","","","","","1.077","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017081","5.8793","0.0012","14.397","0.003","12.316","0.003","90","","98.23","0.03","90","","1031.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O S -","- C13 H9 N O S -","- C52 H36 N4 O4 S4 -","4","1","","Han, Yumiao; Luo, Qun; Hao, Xiang; Li, Xianchan; Wang, Fuyi; Hu, Wenbing; Wu, Kui; Lü, Shuang; Sadler, Peter J.","Reactions of an organoruthenium anticancer complex with 2-mercaptobenzanilide-a model for the active-site cysteine of protein tyrosine phosphatase 1B.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11519","11529","10.1039/c1dt11189b","","","0.71073","MoKα","","0.0518","0.0457","","","0.1097","0.1173","","","","","","1.12","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017082","10.811","0.002","12.467","0.003","12.891","0.003","100.77","0.03","109.54","0.03","98.87","0.03","1563.9","0.8","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C26 H34 Cl2 F6 N3 O P Ru S -","- C26 H34 Cl2 F6.024 N3 O P Ru S -","- C52 H68 Cl4 F12.048 N6 O2 P2 Ru2 S2 -","2","1","","Han, Yumiao; Luo, Qun; Hao, Xiang; Li, Xianchan; Wang, Fuyi; Hu, Wenbing; Wu, Kui; Lü, Shuang; Sadler, Peter J.","Reactions of an organoruthenium anticancer complex with 2-mercaptobenzanilide-a model for the active-site cysteine of protein tyrosine phosphatase 1B.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11519","11529","10.1039/c1dt11189b","","","0.71073","MoKα","","0.0407","0.0384","","","0.0939","0.0958","","","","","","1.084","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017083","11.0581","0.0003","15.6374","0.0004","17.9756","0.0005","84.076","0.001","80.474","0.001","88.886","0.001","3049.1","0.14","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H70 F6 N3 O6 P Ru2 S3 -","- C62 H70 F6 N3 O6 P Ru2 S3 -","- C124 H140 F12 N6 O12 P2 Ru4 S6 -","2","1","","Han, Yumiao; Luo, Qun; Hao, Xiang; Li, Xianchan; Wang, Fuyi; Hu, Wenbing; Wu, Kui; Lü, Shuang; Sadler, Peter J.","Reactions of an organoruthenium anticancer complex with 2-mercaptobenzanilide-a model for the active-site cysteine of protein tyrosine phosphatase 1B.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11519","11529","10.1039/c1dt11189b","","","0.71073","MoKα","","0.0547","0.0478","","","0.09","0.0922","","","","","","1.289","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017084","16.8707","0.0005","27.9775","0.0007","17.3438","0.0004","90","","104.859","0.003","90","","7912.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H85 Cl15 N2 O7 -","- C70 H85 Cl15 N2 O7 -","- C280 H340 Cl60 N8 O28 -","4","1","","Bandela, Anilkumar; Chinta, Jugun Prakash; Rao, Chebrolu P.","Role of the conformational changes brought in the arms of the 1,3-di-capped conjugate of calix[4]arene (L) in turning on the fluorescence of L by Hg(2+).","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11367","11370","10.1039/c1dt11208b","","","0.71073","MoKα","","0.1237","0.0776","","","0.2","0.2336","","","","","","1.024","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017085","11.6904","0.0006","14.3149","0.0008","15.9465","0.0008","66.28","0.002","87.702","0.002","78.741","0.002","2393.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(An2N{NMe}salan)Ti(OiPr)2","[N,N'-Dimethyl-N,N'-bis-(2-oxido-5-(di-(4-methoxyphenyl)amino)benzyl)- ethylenediamine]titanium(IV) diisopropoxide","","- C52 H62 N4 O8 Ti -","- C52 H62 N4 O8 Ti -","- C104 H124 N8 O16 Ti2 -","2","1","","Quiroz-Guzman, Mauricio; Oliver, Allen G.; Loza, Andrew J.; Brown, Seth N.","Redox-active tetrahydrosalen (salan) complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11458","11468","10.1039/c1dt11228g","","","0.71073","MoKα","","0.0926","0.0608","","","0.149","0.1677","","","","","","1.037","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017086","12.703","0.002","13.811","0.002","14.969","0.003","69.74","0.002","79.478","0.002","73.082","0.002","2347.3","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(An2N{NMe}salan)Ti(OCMe2CO2)","[N,N'-Dimethyl-N,N'-bis-(2-oxido-5-(di-(4-methoxyphenyl)amino)benzyl)- ethylenediamine]titanium(IV) α-oxyisobutyrate","","- C50 H54 N4 O9 Ti -","- C50 H54 N4 O9 Ti -","- C100 H108 N8 O18 Ti2 -","2","1","","Quiroz-Guzman, Mauricio; Oliver, Allen G.; Loza, Andrew J.; Brown, Seth N.","Redox-active tetrahydrosalen (salan) complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11458","11468","10.1039/c1dt11228g","","","0.7749","synchrotron","","0.1272","0.0552","","","0.1142","0.142","","","","","","0.944","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017087","19.9705","0.0015","21.278","0.0016","14.1667","0.0011","90","","98.6784","0.0012","90","","5951","0.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Br{NMe}salan)Ti(OCH2C(CH3)2C(O)O) . 0.5 HOCH2C(CH3)2CO2H . 0.5 CHCl3","[N,N'-Dimethyl-N,N'-bis-(2-oxido-5-bromobenzyl)ethylenediamine](2,2- dimethyl-3-oxidopropanoato)titanium(IV) hemi-hydroxypivalic acid hemi- chloroform solvate","","- C26 H33.5 Br2 Cl1.5 N2 O6.5 Ti -","- C26 H33.5 Br2 Cl1.5 N2 O6.5 Ti -","- C208 H268 Br16 Cl12 N16 O52 Ti8 -","8","2","","Quiroz-Guzman, Mauricio; Oliver, Allen G.; Loza, Andrew J.; Brown, Seth N.","Redox-active tetrahydrosalen (salan) complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11458","11468","10.1039/c1dt11228g","","","0.71073","MoKα","","0.0474","0.0338","","","0.0794","0.0852","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017088","22.194","0.002","11.4347","0.0012","11.716","0.0012","90","","94.703","0.002","90","","2963.3","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23.05 H25.78 F6 N3.68 O9.68 Pr -","- C23.0505 H25.608 F6 N3.6835 O9.6835 Pr -","- C92.202 H102.432 F24 N14.734 O38.734 Pr4 -","4","1","","Mikhalyova, Elena A.; Kolotilov, Sergey V.; Zeller, Matthias; Thompson, Laurence K.; Addison, Anthony W.; Pavlishchuk, Vitaly V.; Hunter, Allen D.","Synthesis, structure and magnetic properties of Nd(3+) and Pr(3+) 2D polymers with tetrafluoro-p-phthalate.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10989","10996","10.1039/c1dt11237f","","","0.71073","MoKα","","0.035","0.0344","","","0.0935","0.094","","","","","","1.133","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017089","14.9896","0.0004","18.3686","0.0005","15.5071","0.0004","90","","92.7229","0.0014","90","","4264.9","0.2","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 B6 F24 Mo4 N24 O4 -","- C50 H72 B6 F24 Mo4 N24 O4 -","- C100 H144 B12 F48 Mo8 N48 O8 -","2","0.5","","Köberl, Mathias; Cokoja, Mirza; Bechlars, Bettina; Herdtweck, Eberhardt; Kühn, Fritz E","Dicarboxylate-bridged (Mo(2))(n) (n = 2, 3, 4) paddle-wheel complexes: potential intermediate building blocks for metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11490","11496","10.1039/c1dt11249j","","","0.71073","MoKα","","0.0232","0.022","","","0.0524","0.0537","","","","","","1.079","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017090","10.6698","0.0004","10.7944","0.0005","15.1873","0.0006","89.095","0.002","86.007","0.002","64.711","0.002","1577.52","0.12","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H54 B4 F16 Mo4 N14 O8 -","- C40 H54 B4 F16 Mo4 N14 O8 -","- C40 H54 B4 F16 Mo4 N14 O8 -","1","0.5","","Köberl, Mathias; Cokoja, Mirza; Bechlars, Bettina; Herdtweck, Eberhardt; Kühn, Fritz E","Dicarboxylate-bridged (Mo(2))(n) (n = 2, 3, 4) paddle-wheel complexes: potential intermediate building blocks for metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11490","11496","10.1039/c1dt11249j","","","0.71073","MoKα","","0.0238","0.0231","","","0.0622","0.0628","","","","","","1.058","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017091","14.684","0.003","17.133","0.004","33.478","0.007","90","","90","","90","","8422","3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H52 Co2 Ge N12 S10 Sb4 -","- C16 H39 Co2 Ge N12 S10 Sb4 -","- C128 H312 Co16 Ge8 N96 S80 Sb32 -","8","1","","Zhou, Jian; An, Litao; Liu, Xing; Huang, Lijun; Huang, Xijiao","Solvothermal synthesis and characterization of two 2-D layered germanium thioantimonates with transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11419","11424","10.1039/c1dt11280e","","","0.71073","MoKα","","0.1155","0.1041","","","0.2293","0.2334","","","","","","1.184","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017092","13.3741","0.0012","17.6065","0.0015","18.562","0.0016","90","","90","","90","","4370.8","0.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Ge Mn N6 S6 Sb2 -","- C6 H24 Ge Mn N6 S6 Sb2 -","- C48 H192 Ge8 Mn8 N48 S48 Sb16 -","8","1","","Zhou, Jian; An, Litao; Liu, Xing; Huang, Lijun; Huang, Xijiao","Solvothermal synthesis and characterization of two 2-D layered germanium thioantimonates with transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11419","11424","10.1039/c1dt11280e","","","0.71073","MoKα","","0.0346","0.0298","","","0.0797","0.0848","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017093","8.8108","0.0005","27.2138","0.0014","8.9464","0.0005","90","","118.732","0.003","90","","1881.01","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 I2 N2 P Pt -","- C17 H15 I2 N2 P Pt -","- C68 H60 I8 N8 P4 Pt4 -","4","1","","Tabei, Elham Sadat; Samouei, Hamidreza; Rashidi, Mehdi","Multiple hydrogen bondings in a platinum complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11385","11388","10.1039/c1dt11298h","","","0.71073","MoKα","","0.0431","0.0386","","","0.0994","0.1011","","","","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017094","10.7306","0.0007","13.3805","0.0005","13.6898","0.0005","78.199","0.003","75.841","0.004","83.739","0.004","1861.98","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br10 Cu4 N8 O -","- C16 H20 Br10 Cu4 N8 O -","- C32 H40 Br20 Cu8 N16 O2 -","2","1","","Lobana, Tarlok S.; Sultana, Razia; Butcher, Ray J.","A Sandmeyer type reaction for bromination of 2-mercapto-1-methyl-imidazoline (N(2)C(4)H(6)S) into 2-bromo-1-methyl-imidazole (N(2)C(4)H(5)Br) in presence of copper(i) bromide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11382","11384","10.1039/c1dt11327e","","","0.71073","MoKα","","0.1484","0.0669","","","0.1031","0.141","","","","","","1.079","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017095","5.9616","0.0006","6.098","0.003","10.6776","0.0019","77.27","0.03","82.344","0.011","72.52","0.02","360.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","","Lobana, Tarlok S.; Sultana, Razia; Butcher, Ray J.","A Sandmeyer type reaction for bromination of 2-mercapto-1-methyl-imidazoline (N(2)C(4)H(6)S) into 2-bromo-1-methyl-imidazole (N(2)C(4)H(5)Br) in presence of copper(i) bromide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11382","11384","10.1039/c1dt11327e","","","0.71073","MoKα","","0.028","0.023","","","0.0582","0.0591","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017096","22.306","0.004","22.306","0.004","12.824","0.002","90","","90","","90","","6380.7","1.9","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","Tetrakisdibenzylphosphinato-octaoxo- tetravanadium(V).tetrahydrate","Tetrakisdibenzylphosphinato-octaoxo-tetravanadium(V).tetrahydrate","","- C56 H64 O20 P4 V4 -","- C56 H56 O20 P4 V4 -","- C224 H224 O80 P16 V16 -","4","0.25","","Maass, John S.; Chen, Zhichao; Zeller, Matthias; Luck, Rudy L.","Expanding molecular transition metal cubane clusters of the form [M(4)(μ(3)-O)(4)](12+): syntheses, spectroscopic and structural characterizations of molecules M(4)(μ(3)-O)(4)(O(2)P(Bn)(2))(4)(O(4)), M = V(V) and W(V).","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11356","11358","10.1039/c1dt11375e","","x-ray","0.71073","MoKα","","0.0691","0.0397","","","0.0899","0.102","","","","","","1.035","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017097","22.771","0.004","22.771","0.004","13.107","0.002","90","","90","","90","","6796","2","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","Tetrakisdibenzylphosphinato-octaoxo- tetratungsten(V).tristetrahydrofuran","Tetrakisdibenzylphosphinato-octaoxo-tetratungsten(V).tristetrahydrofuran","","- C68 H80 O19 P4 W4 -","- C68 H80 O19 P4 W4 -","- C272 H320 O76 P16 W16 -","4","0.25","","Maass, John S.; Chen, Zhichao; Zeller, Matthias; Luck, Rudy L.","Expanding molecular transition metal cubane clusters of the form [M(4)(μ(3)-O)(4)](12+): syntheses, spectroscopic and structural characterizations of molecules M(4)(μ(3)-O)(4)(O(2)P(Bn)(2))(4)(O(4)), M = V(V) and W(V).","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11356","11358","10.1039/c1dt11375e","","x-ray","0.71069","MoKα","","0.0241","0.0189","","","0.0425","0.0457","","","","","","1.094","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017098","10.349","0.003","8.789","0.002","12.741","0.004","90","","101.768","0.006","90","","1134.5","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Al N2 O2 -","- C24 H33 Al N2 O2 -","- C48 H66 Al2 N4 O4 -","2","1","","Li, Wenyi; Wu, Wenting; Wang, Yaorong; Yao, Yingming; Zhang, Yong; Shen, Qi","Bimetallic aluminum alkyl complexes as highly active initiators for the polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11378","11381","10.1039/c1dt11380a","","","0.71075","MoKα","","0.052","0.0407","","","0.0919","0.0991","","","","","","1.025","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017099","8.1586","0.0016","9.0924","0.0019","20.628","0.004","90.85","0.006","90.895","0.006","95.683","0.006","1522.3","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 Al2 N2 O2 -","- C30 H48 Al2 N2 O2 -","- C60 H96 Al4 N4 O4 -","2","1","","Li, Wenyi; Wu, Wenting; Wang, Yaorong; Yao, Yingming; Zhang, Yong; Shen, Qi","Bimetallic aluminum alkyl complexes as highly active initiators for the polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11378","11381","10.1039/c1dt11380a","","","0.71075","MoKα","","0.0851","0.0652","","","0.1713","0.1839","","","","","","1.09","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017100","7.5977","0.001","21.372","0.003","8.0416","0.0011","90","","91.022","0.004","90","","1305.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 Al N O -","- C13 H20 Al N O -","- C52 H80 Al4 N4 O4 -","4","1","","Li, Wenyi; Wu, Wenting; Wang, Yaorong; Yao, Yingming; Zhang, Yong; Shen, Qi","Bimetallic aluminum alkyl complexes as highly active initiators for the polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11378","11381","10.1039/c1dt11380a","","","0.71075","MoKα","","0.0683","0.0484","","","0.1286","0.1401","","","","","","1.063","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017101","5.979","0.003","7.217","0.003","12.281","0.005","90","","90","","90","","529.9","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5,2,4,6,8-dithiatetrazocine","1,5,2,4,6,8-dithiatetrazocine","","- C2 H2 N4 S2 -","- C2 H2 N4 S2 -","- C8 H8 N16 S8 -","4","0.5","","Moock, Klaus H.; Wong, Ken M.; Boeré, René T","1,5,2,4,6,8-Dithiatetrazocine. Synthesis, computation, crystallography and voltammetry of the parent heterocycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11599","11604","10.1039/c1dt11418b","","x-ray","0.71073","MoKα","","0.0481","0.0389","","","0.1042","0.1117","","","","","","1.109","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7017102","8.647","0.003","7.101","0.003","8.732","0.003","90","","93.402","0.004","90","","535.2","0.3","173","2","173","2","","","101","","","","","2","P 1 21/n 1","-P 2yn","14","tetranitrogen tetrasulfide","tetranitrogen tetrasulfide","","- N4 S4 -","- N4 S4 -","- N16 S16 -","4","1","","Moock, Klaus H.; Wong, Ken M.; Boeré, René T","1,5,2,4,6,8-Dithiatetrazocine. Synthesis, computation, crystallography and voltammetry of the parent heterocycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11599","11604","10.1039/c1dt11418b","","x-ray","0.71073","MoKα","","0.045","0.0299","","","0.058","0.0611","","","","","","0.941","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7017103","13.4601","0.0002","7.1135","0.0001","17.8388","0.0002","90","","104.424","0.002","90","","1654.2","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Ru -","- C20 H26 Ru -","- C80 H104 Ru4 -","4","1","","Glöckner, Andreas; Arias, Oscar; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Facile η(5)-η(3) hapticity interconversion in pentamethylcyclopentadienyl ruthenium(ii) complexes containing a phenylmethallyl (""open indenyl"") ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11511","11518","10.1039/c1dt11436k","","","1.54184","CuKα","","0.0358","0.0341","","","0.0892","0.0903","","","","","","1.077","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017104","34.0568","0.0014","14.0658","0.0006","8.9452","0.0004","90","","90","","90","","4285.1","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H35 P Ru -","- C23 H35 P Ru -","- C184 H280 P8 Ru8 -","8","1","","Glöckner, Andreas; Arias, Oscar; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Facile η(5)-η(3) hapticity interconversion in pentamethylcyclopentadienyl ruthenium(ii) complexes containing a phenylmethallyl (""open indenyl"") ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11511","11518","10.1039/c1dt11436k","","","0.71073","MoKα","","0.0499","0.0246","","","0.0254","0.0265","","","","","","0.849","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017105","8.3388","0.0002","17.1916","0.0006","15.4241","0.0006","90","","105.443","0.004","90","","2131.33","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 P Ru -","- C23 H35 P Ru -","- C92 H140 P4 Ru4 -","4","1","","Glöckner, Andreas; Arias, Oscar; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Facile η(5)-η(3) hapticity interconversion in pentamethylcyclopentadienyl ruthenium(ii) complexes containing a phenylmethallyl (""open indenyl"") ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11511","11518","10.1039/c1dt11436k","","","0.71073","MoKα","","0.0221","0.0188","","","0.0426","0.0441","","","","","","1.046","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017106","11.5667","0.0002","12.0145","0.0002","13.089","0.0002","90","","90","","90","","1818.95","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H26 O Ru -","- C21 H26 O Ru -","- C84 H104 O4 Ru4 -","4","1","","Glöckner, Andreas; Arias, Oscar; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Facile η(5)-η(3) hapticity interconversion in pentamethylcyclopentadienyl ruthenium(ii) complexes containing a phenylmethallyl (""open indenyl"") ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11511","11518","10.1039/c1dt11436k","","","1.54184","CuKα","","0.0203","0.0193","","","0.0526","0.0534","","","","","","1.053","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017107","10.04","0.0005","22.875","0.0014","31.745","0.0018","90","","90","","90","","7290.7","0.7","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C39 H55 Al N2 O2 -","- C39 H55 Al N2 O2 -","- C312 H440 Al8 N16 O16 -","8","1","","Whitelaw, Emma L.; Loraine, Gaynor; Mahon, Mary F.; Jones, Matthew D.","Salalen aluminium complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11469","11473","10.1039/c1dt11438g","","","0.71073","MoKα","","0.1157","0.0583","","","0.1168","0.1393","","","","","","1.041","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017108","9.7286","0.0007","12.5296","0.001","13.0282","0.001","110.181","0.004","109.51","0.004","103.09","0.005","1296","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 Al N2 O2 -","- C27 H39 Al N2 O2 -","- C54 H78 Al2 N4 O4 -","2","1","","Whitelaw, Emma L.; Loraine, Gaynor; Mahon, Mary F.; Jones, Matthew D.","Salalen aluminium complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11469","11473","10.1039/c1dt11438g","","","0.71073","MoKα","","0.1144","0.0615","","","0.1466","0.1797","","","","","","1.021","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017109","10.556","0.0009","10.718","0.0011","14.63","0.0013","75.586","0.005","72.438","0.005","78.516","0.006","1514.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 Al2 N2 O2 -","- C30 H48 Al2 N2 O2 -","- C60 H96 Al4 N4 O4 -","2","1","","Whitelaw, Emma L.; Loraine, Gaynor; Mahon, Mary F.; Jones, Matthew D.","Salalen aluminium complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11469","11473","10.1039/c1dt11438g","","","0.71073","MoKα","","0.0721","0.0462","","","0.1065","0.1221","","","","","","1.048","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017110","9.708","0.004","9.824","0.004","15.27","0.004","82.591","0.015","75.027","0.016","72.308","0.017","1338.3","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H35 Al Cl2 N2 O2 -","- C26 H35 Al Cl2 N2 O2 -","- C52 H70 Al2 Cl4 N4 O4 -","2","1","","Whitelaw, Emma L.; Loraine, Gaynor; Mahon, Mary F.; Jones, Matthew D.","Salalen aluminium complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11469","11473","10.1039/c1dt11438g","","","0.71073","MoKα","","0.0973","0.0502","","","0.1101","0.1316","","","","","","1.008","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017111","15.045","0.0003","11.753","0.0003","17.205","0.0005","90","","100.593","0.001","90","","2990.41","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Al Cl2 N2 O2 -","- C31 H37 Al Cl2 N2 O2 -","- C124 H148 Al4 Cl8 N8 O8 -","4","1","","Whitelaw, Emma L.; Loraine, Gaynor; Mahon, Mary F.; Jones, Matthew D.","Salalen aluminium complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11469","11473","10.1039/c1dt11438g","","","0.71073","MoKα","","0.1224","0.0645","","","0.1334","0.1609","","","","","","1.055","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017112","9.8678","0.0003","14.394","0.0005","16.6338","0.0006","90","","90","","90","","2362.62","0.14","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C8 H26 F Ge6 N4 Nb O16 -","- C8 H26 F Ge6 N4 Nb O16 -","- C32 H104 F4 Ge24 N16 Nb4 O64 -","4","1","","Nguyen, Quang Bac; Lii, Kwang-Hwa","Organically templated metal germanate: Ionothermal synthesis of (C(8)H(24)N(4))[NbOGe(6)O(13)(OH)(2)F].","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10830","10832","10.1039/c1dt11452b","","","0.71073","MoKα","","0.0226","0.0208","","","0.0498","0.0503","","","","","","1.018","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017113","11.514","0.003","11.767","0.004","17.73","0.006","95.8","0.05","105.73","0.05","99.28","0.05","2255.3","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H110 Mn6 N12 O32 -","- C66 H110 Mn6 N12 O32 -","- C66 H110 Mn6 N12 O32 -","1","0.5","","Flamourakis, Andreas G.; Tzimopoulos, Demetrios; Siczek, Milosz; Lis, Tadeusz; O'Brien, James R; Akrivos, Pericles D.; Milios, Constantinos J.","A new oxime ligand in manganese chemistry: a [Mn(8)] and a [Mn(6)] cage from the use of 2-dihydroxy-2-phenylacetamidine.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11371","11373","10.1039/c1dt11455g","","","0.71073","MoKα","","0.139","0.0679","","","0.1751","0.1942","","","","","","1.013","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017114","16.608","0.005","17.907","0.005","19.811","0.006","78.12","0.04","65.89","0.04","75.79","0.03","5176","3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C71.62 H115.65 Mn8 N16 O38.2 -","- C71.625 H106.5 Mn8 N16 O38.2 -","- C143.25 H213 Mn16 N32 O76.4 -","2","1","","Flamourakis, Andreas G.; Tzimopoulos, Demetrios; Siczek, Milosz; Lis, Tadeusz; O'Brien, James R; Akrivos, Pericles D.; Milios, Constantinos J.","A new oxime ligand in manganese chemistry: a [Mn(8)] and a [Mn(6)] cage from the use of 2-dihydroxy-2-phenylacetamidine.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11371","11373","10.1039/c1dt11455g","","","0.71073","MoKα","","0.1136","0.0498","","","0.1102","0.1179","","","","","","0.999","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017115","9.571","0.002","10.278","0.003","14.367","0.003","89.79","0.03","86.21","0.03","62.91","0.03","1254.9","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H48 Cl4 N2 P2 Pt2 S4 -","- C47 H48 Cl4 N2 P2 Pt2 S4 -","- C47 H48 Cl4 N2 P2 Pt2 S4 -","1","0.5","","Montagner, Diego; Sanz Miguel, Pablo J.","Unique Pt(5) metallacycle: [Pt(II)Cl(pyrrolidinedithiocarbamate)](5).","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10809","10811","10.1039/c1dt11475a","","","0.71073","MoKα","","0.0463","0.0397","","","0.0915","0.0975","","","","","","0.994","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017116","11.862","0.002","14.543","0.003","16.207","0.003","80.6","0.03","78.97","0.03","74.89","0.03","2630.3","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H48 Cl9 N5 Pt5 S10 -","- C29 H48 Cl9 N5 Pt5 S10 -","- C58 H96 Cl18 N10 Pt10 S20 -","2","1","","Montagner, Diego; Sanz Miguel, Pablo J.","Unique Pt(5) metallacycle: [Pt(II)Cl(pyrrolidinedithiocarbamate)](5).","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10809","10811","10.1039/c1dt11475a","","","0.71073","MoKα","","0.0632","0.0533","","","0.1179","0.1254","","","","","","0.99","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017117","8.1846","0.0002","15.6823","0.0004","18.6804","0.0006","106.159","0.0012","101.041","0.0011","91.8678","0.0013","2250.93","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 F12 N5 P2 -","- C17 H15 F12 N5 P2 -","- C68 H60 F48 N20 P8 -","4","2","","Serpell, Christopher J.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Chloride anion triggered motion in a bis-imidazolium rotaxane.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12052","12055","10.1039/c1dt10186b","","","0.71073","MoKα","","0.0797","0.0495","","0.1288","0.1145","0.1288","","","","","","1","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017118","11.4738","0.0008","8.2218","0.0006","21.436","0.0015","90","","90","","90","","2022.2","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 Pd S2 -","- C20 H20 N2 O4 Pd S2 -","- C80 H80 N8 O16 Pd4 S8 -","4","0.5","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0466","0.0421","","","0.0885","0.091","","","","","","1.043","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017119","9.3071","0.0006","18.2983","0.0011","15.0459","0.0009","90","","105.543","0.001","90","","2468.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 Cl6 N2 O4 P2 Pd -","- C54 H40 Cl6 N2 O4 P2 Pd -","- C108 H80 Cl12 N4 O8 P4 Pd2 -","2","0.5","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0241","0.0234","","","0.0596","0.0601","","","","","","1.062","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017120","11.9234","0.0009","12.1823","0.0009","15.5656","0.0012","86.214","0.001","89.451","0.001","68.011","0.001","2091.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H39 Cl3 N2 O6 P2 Pd -","- C45 H39 Cl3 N2 O6 P2 Pd -","- C90 H78 Cl6 N4 O12 P4 Pd2 -","2","1","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0314","0.0309","","","0.0824","0.0831","","","","","","1.479","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017121","13.614","0.0014","13.2162","0.0013","24.102","0.002","90","","96.788","0.002","90","","4306.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 N2 O6 P2 Pd S2 -","- C50 H38 N2 O6 P2 Pd S2 -","- C200 H152 N8 O24 P8 Pd4 S8 -","4","1","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0313","0.0289","","","0.0723","0.0773","","","","","","1.101","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017122","11.5868","0.0012","12.4344","0.0013","17.7515","0.0018","73.79","0.002","85.524","0.002","69.586","0.002","2301.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H40 Cl2 N2 O6 P2 Pd S2 -","- C51 H40 Cl2 N2 O6 P2 Pd S2 -","- C102 H80 Cl4 N4 O12 P4 Pd2 S4 -","2","1","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0665","0.0612","","","0.1661","0.1699","","","","","","1.105","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017123","9.3935","0.0004","19.6173","0.0009","10.4028","0.0005","90","","104.947","0.001","90","","1852.12","0.15","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H42 N2 O4 P2 Pd -","- C46 H42 N2 O4 P2 Pd -","- C92 H84 N4 O8 P4 Pd2 -","2","0.5","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0273","0.026","","","0.0647","0.0659","","","","","","0.837","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017124","7.9905","0.0007","8.2529","0.0007","10.1032","0.0009","89.628","0.001","74.479","0.001","72.658","0.001","610.83","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 N4 O6 Pd S2 -","- C24 H18 N4 O6 Pd S2 -","- C24 H18 N4 O6 Pd S2 -","1","0.5","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0232","0.0226","","","0.0608","0.0613","","","","","","0.878","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017125","11.3871","0.0008","18.294","0.0013","23.2075","0.0017","90","","103.76","0.001","90","","4695.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Cl6 N2 O5 P2 Pd -","- C48 H36 Cl6 N2 O5 P2 Pd -","- C192 H144 Cl24 N8 O20 P8 Pd4 -","4","1","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0449","0.0411","","","0.0943","0.0967","","","","","","1.078","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017126","14.92","0.0005","9.0986","0.0003","18.6634","0.0004","90","","90.731","0.002","90","","2533.37","0.13","120","2","120","2","","","","","","","Mark Ogden","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cl Cu N3 S2 -","- C26 H30 Cl Cu N3 S2 -","- C104 H120 Cl4 Cu4 N12 S8 -","4","1","","Karagiannidis, Louise E.; Gale, Philip A.; Light, Mark E.; Massi, Massimiliano; Ogden, Mark I.","Further insight into the coordination of 2,5-dicarbothioamidopyrroles: the case of Cu and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12097","12105","10.1039/c1dt10441a","","","0.71073","MoKα","","0.0844","0.0505","","","0.0997","0.1141","","","","","","1.047","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017127","12.3901","0.0002","7.7312","0.0001","24.4174","0.0004","90","","99.756","0.001","90","","2305.13","0.06","120","2","120","2","","","","","","","Mark Ogden","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cl Cu N3 S2 -","- C30 H18 Cl Cu N3 S2 -","- C120 H72 Cl4 Cu4 N12 S8 -","4","1","","Karagiannidis, Louise E.; Gale, Philip A.; Light, Mark E.; Massi, Massimiliano; Ogden, Mark I.","Further insight into the coordination of 2,5-dicarbothioamidopyrroles: the case of Cu and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12097","12105","10.1039/c1dt10441a","","","0.71073","MoKα","","0.0589","0.0465","","","0.0922","0.0972","","","","","","1.65","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017128","12.7475","0.0002","8.4829","0.0001","27.9445","0.0004","90","","101.792","0.001","90","","2958.03","0.07","120","2","120","2","","","","","","","Mark Ogden","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cl2 Cu N4 S2 -","- C32 H22 Cl2 Cu N4 S2 -","- C128 H88 Cl8 Cu4 N16 S8 -","4","1","","Karagiannidis, Louise E.; Gale, Philip A.; Light, Mark E.; Massi, Massimiliano; Ogden, Mark I.","Further insight into the coordination of 2,5-dicarbothioamidopyrroles: the case of Cu and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12097","12105","10.1039/c1dt10441a","","","0.71073","MoKα","","0.0558","0.0431","","","0.1104","0.1174","","","","","","1.022","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017129","9.96","0.0002","13.5973","0.0003","17.4476","0.0003","89.652","0.001","87.18","0.001","86.996","0.001","2356.79","0.08","120","2","120","2","","","","","","","Curtin University, AUS","4","P -1","-P 1","2","","","","- C30 H19 N3 S2 -","- C30 H19 N3 S2 -","- C120 H76 N12 S8 -","4","2","","Karagiannidis, Louise E.; Gale, Philip A.; Light, Mark E.; Massi, Massimiliano; Ogden, Mark I.","Further insight into the coordination of 2,5-dicarbothioamidopyrroles: the case of Cu and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12097","12105","10.1039/c1dt10441a","","","0.71069","MoKα","","0.0813","0.0591","","","0.1097","0.121","","","","","","1.077","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7017130","13.4166","0.0009","15.8954","0.001","19.7847","0.0013","96.701","0.004","95.457","0.004","95.884","0.004","4143.9","0.5","120","2","120","2","","","","","","","Massimiliano Massi","7","P -1","-P 1","2","","","","- C91.4 H57.4 Cl7.2 Cu3 N9 O0.6 S6 -","- C91.4 H57.4 Cl7.2 Cu3 N9 O0.6 S6 -","- C182.8 H114.8 Cl14.4 Cu6 N18 O1.2 S12 -","2","1","","Karagiannidis, Louise E.; Gale, Philip A.; Light, Mark E.; Massi, Massimiliano; Ogden, Mark I.","Further insight into the coordination of 2,5-dicarbothioamidopyrroles: the case of Cu and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12097","12105","10.1039/c1dt10441a","","","0.71073","MoKα","","0.248","0.1559","","","0.2671","0.3124","","","","","","1.084","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7017131","8.9827","0.0001","12.2046","0.0002","14.5977","0.0002","79.841","0.001","76.882","0.001","84.981","0.001","1532.27","0.04","120","2","120","2","","","","","","","Massimiliano Massi","6","P -1","-P 1","2","","","","- C31 H23 Cl4 Cu N3 S2 -","- C31 H23 Cl4 Cu N3 S2 -","- C62 H46 Cl8 Cu2 N6 S4 -","2","1","","Karagiannidis, Louise E.; Gale, Philip A.; Light, Mark E.; Massi, Massimiliano; Ogden, Mark I.","Further insight into the coordination of 2,5-dicarbothioamidopyrroles: the case of Cu and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12097","12105","10.1039/c1dt10441a","","","0.71073","MoKα","","0.059","0.047","","","0.0907","0.0973","","","","","","1.051","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7017132","17.8652","0.0003","20.1328","0.0003","18.0402","0.0003","90","","108.824","0.001","90","","6141.59","0.18","120","2","120","2","","","","","","","Massimiliano Massi","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H51 Cl6 Co2 N6 O S4 -","- C63 H51 Cl6 Co2 N6 O S4 -","- C252 H204 Cl24 Co8 N24 O4 S16 -","4","1","","Karagiannidis, Louise E.; Gale, Philip A.; Light, Mark E.; Massi, Massimiliano; Ogden, Mark I.","Further insight into the coordination of 2,5-dicarbothioamidopyrroles: the case of Cu and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12097","12105","10.1039/c1dt10441a","","","0.71073","MoKα","","0.1155","0.0776","","","0.1364","0.1528","","","","","","1.133","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7017133","28.924","0.003","30.137","0.003","22.814","0.002","90","","90","","90","","19887","3","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C134 H232 N4 Na Ni O116 S4 -","- C134 H232 N4 Na Ni O116 S4 -","- C536 H928 N16 Na4 Ni4 O464 S16 -","4","1","","Cheng, Xian; Lu, Zhenda; Li, Yizhi; Wang, Qi; Lu, Changsheng; Meng, Qingjin","An interesting molecular-assembly of β-cyclodextrin pipelines with embedded hydrophilic nickel maleonitriledithiolate.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11788","11794","10.1039/c1dt10532a","","","0.71073","MoKα","","0.0764","0.058","","","0.1174","0.1215","","","","","","1.063","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017134","27.9204","0.0017","22.5838","0.0014","24.61","0.003","90","","122.689","0.003","90","","13060","2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Pd ''click'' cage","","","- C128 H120 B4 F16 N33 O16 Pd2 -","- C112 H96 B4 F16 N24 O16 Pd2 -","- C448 H384 B16 F64 N96 O64 Pd8 -","4","0.5","","Scott, Synøve Ø; Gavey, Emma L.; Lind, Samuel J.; Gordon, Keith C.; Crowley, James D.","Self-assembled palladium(ii) ""click"" cages: synthesis, structural modification and stability.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12117","12124","10.1039/c1dt10551e","","","0.71073","MoKα","","0.0632","0.0515","","","0.1495","0.1566","","","","","","1.044","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017135","20.91","0.006","5.727","0.004","9.4091","0.0012","90","0","101.318","0.033","90","0","1104.8","0.9","89","2","89","2","","","","","","","","4","P 1 c 1","P -2yc","7","di-triazole","","","- C26 H24 N6 O2 -","- C26 H24 N6 O2 -","- C52 H48 N12 O4 -","2","1","","Scott, Synøve Ø; Gavey, Emma L.; Lind, Samuel J.; Gordon, Keith C.; Crowley, James D.","Self-assembled palladium(ii) ""click"" cages: synthesis, structural modification and stability.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12117","12124","10.1039/c1dt10551e","","","0.71069","MoKα","","0.0368","0.0315","","","0.0757","0.0864","","","","","","1.116","","","","has coordinates","288182","2023-12-08","13:20:07",""
"7017136","21.708","0.003","21.708","0.003","25.682","0.005","90","","90","","90","","12102","3","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C198 H200 Er9 N O42 -","- C192 H184 Er9 O42 -","- C384 H368 Er18 O84 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.71073","MoKα","","0.1035","0.066","","","0.1572","0.1712","","","","","","0.996","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017137","17.123","0.002","17.123","0.002","15.959","0.003","90","","90","","90","","4679.1","1.2","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C96 H84 N8 O36 Tb4 -","- C96 H84 N8 O36 Tb4 -","- C192 H168 N16 O72 Tb8 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.71073","MoKα","","0.0622","0.0475","","","0.1142","0.1276","","","","","","1.123","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017138","17.0831","0.0003","17.0831","0.0003","15.9784","0.0003","90","","90","","90","","4663.01","0.15","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C96 H84 Er4 N8 O36 -","- C96 H84 Er4 N8 O36 -","- C192 H168 Er8 N16 O72 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.71073","MoKα","","0.0463","0.027","","","0.0511","0.0564","","","","","","1.037","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017139","15.585","0.005","17.398","0.004","23.61","0.005","82.956","0.005","76.19","0.016","86.901","0.024","6168","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C108.38 H111 Er4 O28 -","- C108.03 H106 Er4 O28 -","- C216.06 H212 Er8 O56 -","2","1","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.77487","synchrotron","","0.1014","0.086","","","0.236","0.2486","","","","","","1.063","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017140","17.125","0.002","17.125","0.002","15.993","0.003","90","","90","","90","","4690.2","1.2","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C96 H84 Dy4 N8 O36 -","- C96 H84 Dy4 N8 O36 -","- C192 H168 Dy8 N16 O72 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.773748","synchrotron","","0.0211","0.0207","","","0.0517","0.0519","","","","","","1.078","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017141","17.209","0.002","17.209","0.002","16.019","0.003","90","","90","","90","","4744","1.2","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C96 H84 Gd4 N8 O36 -","- C96 H84 Gd4 N8 O36 -","- C192 H168 Gd8 N16 O72 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.77369","synchrotron","","0.019","0.0189","","","0.0476","0.0477","","","","","","1.072","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017142","17.26","0.004","19.361","0.004","22.261","0.005","87.89","0.03","71.93","0.03","67.01","0.03","6480","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H99 Er4 N8 O38 -","- C134 H99 Er4 N8 O38 -","- C268 H198 Er8 N16 O76 -","2","1","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.773748","synchrotron","","0.0844","0.0653","","","0.164","0.177","","","","","","1.023","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017143","12.378","0.003","15.353","0.003","15.713","0.003","66.73","0.03","69.06","0.03","74.93","0.03","2537.3","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H112 Nd4 O22 -","- C120 H112 Nd4 O22 -","- C120 H112 Nd4 O22 -","1","0.5","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.773748","synchrotron","","0.0498","0.0403","","","0.107","0.114","","","","","","1.016","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017144","14.094","0.003","15.287","0.003","29.95","0.006","95.26","0.03","100.82","0.03","106.5","0.03","6005","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C251 H118 Er8 F80 O46 -","- C251 H118 Er8 F80 O46 -","- C251 H118 Er8 F80 O46 -","1","0.5","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.710698","synchrotron","","0.1291","0.0767","","","0.1732","0.1957","","","","","","1.055","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017145","12.58","0.005","13.216","0.005","29.246","0.005","90","","100.742","0.005","90","","4777","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cd Co N13 O15 -","- C40 H38 Cd Co N13 O15 -","- C160 H152 Cd4 Co4 N52 O60 -","4","1","","Singh, Amit Pratap; Kumar, Girijesh; Gupta, Rajeev","Two-dimensional {Co(3+)-Zn(2+)} and {Co(3+)-Cd(2+)} networks and their applications in heterogeneous and solvent-free ring opening reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12454","12461","10.1039/c1dt10602c","","","0.71069","MoKα","","0.1476","0.0719","","","0.1757","0.2419","","","","","","0.974","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017146","15.814","0.005","15.372","0.005","16.41","0.005","90","","94.747","0.005","90","","3975","2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cd Co N11 O14 -","- C34 H36 Cd Co N11 O14 -","- C136 H144 Cd4 Co4 N44 O56 -","4","1","","Singh, Amit Pratap; Kumar, Girijesh; Gupta, Rajeev","Two-dimensional {Co(3+)-Zn(2+)} and {Co(3+)-Cd(2+)} networks and their applications in heterogeneous and solvent-free ring opening reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12454","12461","10.1039/c1dt10602c","","","0.71069","MoKα","","0.0915","0.0524","","","0.119","0.1566","","","","","","1.09","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017147","6.2201","0.0002","10.6272","0.0002","11.5588","0.0008","110.016","0.008","99.817","0.007","91.442","0.006","704.51","0.07","113","2","113","2","","","","","","","","6","P -1","-P 1","2","(tetrakisacetonitrile-bis(mu-1,2,4-triazolo(1,5- a)pyrimidine)disilver(i)) bis(tetrafluoroborate)","[tetrakisacetonitrile-bis(μ-1,2,4-triazolo[1,5-a]pyrimidine)disilver(I)] bis(tetrafluoroborate)","","- C18 H20 Ag2 B2 F8 N12 -","- C18 H20 Ag2 B2 F8 N12 -","- C18 H20 Ag2 B2 F8 N12 -","1","0.5","","Caballero, Ana B.; Maclaren, Jana K.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, Jose A.; Salas, Juan M.; Janiak, Christoph","Dinuclear silver(i) complexes for the design of metal-ligand networks based on triazolopyrimidines.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11845","11855","10.1039/c1dt10603a","","","0.71073","MoKα","","0.0333","0.026","","","0.0445","0.0469","","","","","","1.145","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017148","6.3253","0.0001","10.7545","0.0002","11.5478","0.0008","110.093","0.008","100.489","0.007","90.426","0.006","723.32","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","(tetrakisacetonitrile-bis(mu-1,2,4-triazolo(1,5- a)pyrimidine)disilver(i)) bis(perchlorate)","[tetrakisacetonitrile-bis(μ-1,2,4-triazolo[1,5-a]pyrimidine)disilver(I)] bis(perchlorate)","","- C18 H20 Ag2 Cl2 N12 O8 -","- C18 H20 Ag2 Cl2 N12 O8 -","- C18 H20 Ag2 Cl2 N12 O8 -","1","0.5","","Caballero, Ana B.; Maclaren, Jana K.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, Jose A.; Salas, Juan M.; Janiak, Christoph","Dinuclear silver(i) complexes for the design of metal-ligand networks based on triazolopyrimidines.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11845","11855","10.1039/c1dt10603a","","","0.71073","MoKα","","0.072","0.0485","","","0.0876","0.1016","","","","","","1.079","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017149","5.7889","0.0015","8.389","0.002","10.138","0.003","109.414","0.003","91.774","0.003","102.566","0.003","450.4","0.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","(bis(mu-7-amine-1,2,4-triazolo(1,5-a)pyrimidine)disilver(i)) bis(perchlorate)","[bis(μ-7-amine-1,2,4-triazolo[1,5-a]pyrimidine)disilver(I)] bis(perchlorate)","","- C10 H10 Ag2 Cl2 N10 O8 -","- C10 H10 Ag2 Cl2 N10 O8 -","- C10 H10 Ag2 Cl2 N10 O8 -","1","0.5","","Caballero, Ana B.; Maclaren, Jana K.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, Jose A.; Salas, Juan M.; Janiak, Christoph","Dinuclear silver(i) complexes for the design of metal-ligand networks based on triazolopyrimidines.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11845","11855","10.1039/c1dt10603a","","","0.71073","MoKα","","0.0434","0.0396","","","0.1014","0.1034","","","","","","1.102","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017150","11.228","0.005","11.471","0.005","12.191","0.005","110.932","0.005","112.874","0.005","97.284","0.005","1285.2","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","(acetonitrile-bis(mu-5,7-dimethyl-1,2,4-triazolo(1,5- a)pyrimidine)disilver(i)) tetrafluoroborate perchlorate","[acetonitrile-bis(μ-5,7-dimethyl-1,2,4- triazolo[1,5-a]pyrimidine)disilver(I)] tetrafluoroborate perchlorate","","- C16 H19 Ag2 Cl F6 N9 O4 P -","- C16 H19 Ag2 Cl F6 N9 O4 P -","- C32 H38 Ag4 Cl2 F12 N18 O8 P2 -","2","1","","Caballero, Ana B.; Maclaren, Jana K.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, Jose A.; Salas, Juan M.; Janiak, Christoph","Dinuclear silver(i) complexes for the design of metal-ligand networks based on triazolopyrimidines.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11845","11855","10.1039/c1dt10603a","","","0.71069","MoKα","","0.0521","0.042","","","0.1123","0.119","","","","","","1.048","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017151","8.3689","0.0002","8.655","0.0002","9.0743","0.0006","93.984","0.007","94.541","0.007","112.43","0.008","602.09","0.06","133","2","133","2","","","","","","","","7","P -1","-P 1","2","(bis(mu-trifluoromethylsulfonate)-bis(mu-5,7-dimethyl-1,2,4- triazolo(1,5-a)pyrimidine)disilver(i))","[bis(μ-trifluoromethylsulfonate)-bis(μ-5,7-dimethyl-1,2,4- triazolo[1,5-a]pyrimidine)disilver(I)]","","- C8 H8 Ag F3 N4 O3 S -","- C8 H8 Ag F3 N4 O3 S -","- C16 H16 Ag2 F6 N8 O6 S2 -","2","1","","Caballero, Ana B.; Maclaren, Jana K.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, Jose A.; Salas, Juan M.; Janiak, Christoph","Dinuclear silver(i) complexes for the design of metal-ligand networks based on triazolopyrimidines.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11845","11855","10.1039/c1dt10603a","","","0.71073","MoKα","","0.027","0.0244","","","0.0532","0.0541","","","","","","1.165","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017152","26.0272","0.0003","26.0272","0.0003","11.0746","0.0002","90","","90","","120","","6497.01","0.16","103","2","103","2","","","","","","","","7","R -3 :H","-R 3","148","catena-(bis(mu-1,2,4-triazolo(1,5-a)pyrimidine)disilver(i)) bis(hexafluorophosphate) hexahydrate","catena-[bis(μ-1,2,4-triazolo[1,5-a]pyrimidine)disilver(I)] bis(hexafluorophosphate) hexahydrate","","- C5 H4 Ag F6 N4 O0.12 P -","- C5 H4 Ag F6 N4 O0.121 P -","- C90 H72 Ag18 F108 N72 O2.178 P18 -","18","1","","Caballero, Ana B.; Maclaren, Jana K.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, Jose A.; Salas, Juan M.; Janiak, Christoph","Dinuclear silver(i) complexes for the design of metal-ligand networks based on triazolopyrimidines.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11845","11855","10.1039/c1dt10603a","","","0.71073","MoKα","","0.0309","0.0256","","","0.0612","0.063","","","","","","1.066","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017153","34.842","0.003","7.2479","0.0004","16.1272","0.0013","90","","114.9","0.006","90","","3694","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Ag F6 N2 O2 Sb -","- C44 H30 Ag F6 N2 O2 Sb -","- C176 H120 Ag4 F24 N8 O8 Sb4 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","9-Anthracenyl-substitued pyridyl enones revisited: photoisomerism in ligands and silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12146","12152","10.1039/c1dt10618j","","","0.71073","MoKα","","0.0396","0.0392","","","0.1043","0.1046","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017154","10.5404","0.0016","12.2631","0.0019","14.022","0.002","64.884","0.011","77.234","0.012","70.989","0.012","1544.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","9-Anthracenyl-substitued pyridyl enones revisited: photoisomerism in ligands and silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12146","12152","10.1039/c1dt10618j","","","0.71073","MoKα","","0.0436","0.0398","","","0.1039","0.1066","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017155","10.0453","0.0013","17.701","0.003","9.188","0.0012","90","","108.582","0.01","90","","1548.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","9-Anthracenyl-substitued pyridyl enones revisited: photoisomerism in ligands and silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12146","12152","10.1039/c1dt10618j","","","0.71073","MoKα","","0.0455","0.0425","","","0.1081","0.1101","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017156","40.453","0.006","9.9935","0.0015","9.4455","0.0014","90","","103.001","0.011","90","","3720.6","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Ag F6 N2 O2 Sb -","- C44 H30 Ag F6 N2 O2 Sb -","- C176 H120 Ag4 F24 N8 O8 Sb4 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","9-Anthracenyl-substitued pyridyl enones revisited: photoisomerism in ligands and silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12146","12152","10.1039/c1dt10618j","","","0.71073","MoKα","","0.0331","0.0322","","","0.0876","0.0884","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017157","23.953","0.005","9.962","0.002","36.531","0.007","90","","103.25","0.03","90","","8485","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2,6-di(pyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate tris-diethyl ether solvate","","- C34 H48 B2 F8 Fe N10 O3 -","- C34 H48 B2 F8 Fe N10 O3 -","- C272 H384 B16 F64 Fe8 N80 O24 -","8","1","","Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Spin-crossover in [Fe(3-bpp)(2)][BF(4)](2) in different solvents - A dramatic stabilisation of the low-spin state in water.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12021","12024","10.1039/c1dt10620a","","","0.71073","MoKα","","0.0761","0.0575","","","0.1498","0.1643","","","","","","1.053","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017158","11.721","0.002","22.987","0.005","12.442","0.003","90","","93.26","0.03","90","","3346.8","1.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2,6-di(pyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate bis-nitromethane solvate","","- C24 H24 B2 F8 Fe N12 O4 -","- C24 H24 B2 F8 Fe N12 O4 -","- C96 H96 B8 F32 Fe4 N48 O16 -","4","0.5","","Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Spin-crossover in [Fe(3-bpp)(2)][BF(4)](2) in different solvents - A dramatic stabilisation of the low-spin state in water.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12021","12024","10.1039/c1dt10620a","","","0.71073","MoKα","","0.0468","0.0401","","","0.105","0.1108","","","","","","1.045","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017159","13.035","0.003","13.729","0.003","26.943","0.005","90","","102.22","0.03","90","","4712.4","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[2,6-di(pyrazol-3-yl)pyridine]iron(II) diterafluoroborate dinitromethane bis(diisopropylether) solvate","","- C36 H52 B2 F8 Fe N12 O6 -","- C36 H52 B2 F8 Fe N12 O6 -","- C144 H208 B8 F32 Fe4 N48 O24 -","4","1","","Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Spin-crossover in [Fe(3-bpp)(2)][BF(4)](2) in different solvents - A dramatic stabilisation of the low-spin state in water.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12021","12024","10.1039/c1dt10620a","","","0.71073","MoKα","","0.0815","0.0566","","","0.1429","0.1593","","","","","","1.036","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017160","11.8232","0.0013","23.51","0.002","12.3117","0.0014","90","","93.191","0.006","90","","3416.9","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2,6-di(pyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate bis-acetonitrile solvate","","- C26 H24 B2 F8 Fe N12 -","- C26 H24 B2 F8 Fe N12 -","- C104 H96 B8 F32 Fe4 N48 -","4","0.5","","Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","Spin-crossover in [Fe(3-bpp)(2)][BF(4)](2) in different solvents - A dramatic stabilisation of the low-spin state in water.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12021","12024","10.1039/c1dt10620a","","","0.71073","MoKα","","0.0664","0.0525","","","0.1431","0.1576","","","","","","1.033","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017161","11.035","0.0015","11.306","0.0016","12.958","0.0016","81.574","0.007","69.671","0.007","75.012","0.007","1461.5","0.3","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Cl3 Co N6 O13 -","- C25 H26 Cl3 Co N6 O13 -","- C50 H52 Cl6 Co2 N12 O26 -","2","1","","Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G.","Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12075","12082","10.1039/c1dt10627a","","","0.71069","MoKα","","0.0352","0.0305","","","0.0819","0.0866","","","","","","1.158","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017162","17.5489","0.0014","13.222","0.0011","11.8908","0.001","90","","110.802","0.005","90","","2579.2","0.4","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl2 Fe N6 O8 -","- C24 H24 Cl2 Fe N6 O8 -","- C96 H96 Cl8 Fe4 N24 O32 -","4","0.5","","Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G.","Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12075","12082","10.1039/c1dt10627a","","","0.71073","MoKα","","0.0477","0.0359","","","0.0877","0.0935","","","","","","1.081","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017163","18.217","0.008","8.519","0.004","17.009","0.008","90","","90","","90","","2640","2","89","2","89","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H24 Cl2 Mn N6 O8 -","- C24 H24 Cl2 Mn N6 O8 -","- C96 H96 Cl8 Mn4 N24 O32 -","4","0.5","","Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G.","Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12075","12082","10.1039/c1dt10627a","","","0.71069","MoKα","","0.0476","0.0388","","","0.0987","0.1039","","","","","","1.079","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017164","22.842","0.005","9.232","0.002","15.816","0.003","90","","103.422","0.011","90","","3244.1","1.2","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 Cl2 Mn N8 O8 -","- C29 H32 Cl2 Mn N8 O8 -","- C116 H128 Cl8 Mn4 N32 O32 -","4","0.5","","Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G.","Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12075","12082","10.1039/c1dt10627a","","","0.71069","MoKα","","0.0542","0.0469","","","0.1278","0.1343","","","","","","1.04","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017165","17.29","0.004","13.499","0.003","11.949","0.002","90","","110.331","0.009","90","","2615.1","1","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl2 N6 Ni O8 -","- C24 H24 Cl2 N6 Ni O8 -","- C96 H96 Cl8 N24 Ni4 O32 -","4","0.5","","Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G.","Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12075","12082","10.1039/c1dt10627a","","","0.71069","MoKα","","0.044","0.037","","","0.0828","0.087","","","","","","1.056","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017166","21.1426","0.0015","10.4879","0.0008","25.057","0.0017","90","","108.708","0.003","90","","5262.6","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Chlorotriphenylphosphine-bis(N- diphenyl(carbamothioyl)benzamide)copper(i)","","","- C58 H49 Cl Cu N4 O3 P S2 -","- C58 H47 Cl Cu N4 O2.464 P S2 -","- C232 H188 Cl4 Cu4 N16 O9.856 P4 S8 -","4","1","","Gunasekaran, Nanjappan; Ramesh, Pandian; Ponnuswamy, Mondikalipudur Nanjappa Gounder; Karvembu, Ramasamy","Monodentate coordination of N-[di(phenyl/ethyl)carbamothioyl]benzamide ligands: synthesis, crystal structure and catalytic oxidation property of Cu(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12519","12526","10.1039/c1dt10628g","","","0.71073","MoKα","","0.1043","0.0478","","","0.1126","0.139","","","","","","1","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017167","10.1804","0.0006","19.6686","0.0012","22.45","0.0014","90","","101.886","0.003","90","","4398.9","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Chloro-bis(triphenylphosphine)-(N- diethyl(carbamothioyl)benzamide)copper(i)","","","- C48 H46 Cl Cu N2 O P2 S -","- C48 H46 Cl Cu N2 O P2 S -","- C192 H184 Cl4 Cu4 N8 O4 P8 S4 -","4","1","","Gunasekaran, Nanjappan; Ramesh, Pandian; Ponnuswamy, Mondikalipudur Nanjappa Gounder; Karvembu, Ramasamy","Monodentate coordination of N-[di(phenyl/ethyl)carbamothioyl]benzamide ligands: synthesis, crystal structure and catalytic oxidation property of Cu(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12519","12526","10.1039/c1dt10628g","","","0.71073","MoKα","","0.1208","0.0522","","","0.1382","0.1608","","","","","","0.842","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017168","12.4628","0.0011","14.9274","0.0014","15.6631","0.0016","88.51","0.006","73.191","0.006","84.999","0.006","2778.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","((±)-2,7,12-trimethoxy-3,8,13-tris(3-(4-pyridyl)benzoyl)- 10,15-dihydro-5H-tribenzo(a,d,g)cyclononane) chloroform clathrate","[(±)-2,7,12-trimethoxy-3,8,13-tris[3- (4-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane] chloroform clathrate","","- C61.5 H46.5 Cl4.5 N3 O9 -","- C61.5 H46.5 Cl4.5 N3 O9 -","- C123 H93 Cl9 N6 O18 -","2","1","","Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.","New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12217","12227","10.1039/c1dt10662g","","","0.71073","MoKα","","0.2739","0.1252","","","0.3095","0.4363","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017169","29.169","0.003","16.846","0.0016","32.562","0.004","90","","114.432","0.004","90","","14568","3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","((±)-2,7,12-trimethoxy-3,8,13-tris(4-(3-pyridyl)benzoyl)- 10,15-dihydro-5H-tribenzo(a,d,g)cyclononane) diethylether N- methylpyrrolidone clathrate","[(±)-2,7,12-trimethoxy-3,8,13-tris[4- (3-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane] diethylether N-methylpyrrolidone clathrate","","- C74 H73 N5 O12 -","- C74 H73 N5 O12 -","- C592 H584 N40 O96 -","8","2","","Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.","New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12217","12227","10.1039/c1dt10662g","","","0.71073","MoKα","","0.1266","0.1017","","","0.2729","0.295","","","","","","1.044","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017170","15.8154","0.0017","17.6539","0.0019","23.97","0.003","71.274","0.004","85.877","0.004","66.204","0.004","5786.6","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diaquo(dimethylacetamide)trisnitroso ((±)-2,7,12-trimethoxy- 3,8,13-tris(4-(4-pyridyl)benzoyl)-10,15-dihydro-5H- tribenzo(a,d,g)cyclononane)cadmium(ii) nitrate dimethylacetamide clathrate","diaquo(dimethylacetamide)trisnitroso [(±)-2,7,12-trimethoxy-3,8,13-tris[4- (4-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]cadmium(II) nitrate dimethylacetamide clathrate","","- C84 H103 Cd2 N13 O29 -","- C72 H72 Cd2 N9 O23 -","- C144 H144 Cd4 N18 O46 -","2","1","","Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.","New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12217","12227","10.1039/c1dt10662g","","","0.71073","MoKα","","0.1339","0.0986","","","0.2868","0.3126","","","","","","1.093","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017171","24.869","0.003","25.357","0.003","31.526","0.004","80.258","0.006","80.218","0.006","67.429","0.006","17972","4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","aquotriflouroaceto((±)-2,7,12-trimethoxy-3,8,13-tris(4-(4- pyridyl)benzoyl)-10,15-dihydro-5H-tribenzo(a,d,g) cyclononane)zinc(ii) trifluoroacetate N-methylpyrrolidone clathrate","aquotriflouroaceto[(±)-2,7,12-trimethoxy-3,8,13-tris[4- (4-pyridyl)benzoyl]-10,15-dihydro-5H-tribenzo[a,d,g] cyclononane]zinc(II) trifluoroacetate N-methylpyrrolidone clathrate","","- C318 H310 F12 N26 O60 Zn2 -","- C264 H216 F6 N16 O46 Zn2 -","- C528 H432 F12 N32 O92 Zn4 -","2","1","","Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.","New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12217","12227","10.1039/c1dt10662g","","","0.71073","MoKα","","0.205","0.1102","","","0.2958","0.333","","","","","","0.918","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017172","11.482","0.002","15.768","0.003","23.647","0.004","78.404","0.007","82.58","0.007","76.245","0.006","4058.7","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","dinitroso((±)-2,7,12-trimethoxy-3,8,13-tris(3-(3- pyridyl)benzoyl)-10,15-dihydro-5H-tribenzo(a,d,g)cyclononane)cobalt(ii) N-methylpyrrolidone clathrate","dinitroso[(±)-2,7,12-trimethoxy-3,8,13- tris[3-(3-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]cobalt(II) N-methylpyrrolidone clathrate","","- C80 H81 Co N9 O19 -","- C80 H81 Co N9 O19 -","- C160 H162 Co2 N18 O38 -","2","1","","Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.","New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12217","12227","10.1039/c1dt10662g","","","0.71073","MoKα","","0.2794","0.1269","","","0.3061","0.3579","","","","","","1.475","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017173","20.523","0.002","22.227","0.002","22.922","0.003","79.579","0.007","73.913","0.007","72.387","0.006","9521.9","1.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(N-methylpyrrolidone)tetranitroso bis((±)-2,7,12-trimethoxy- 3,8,13-tris(4-(4-pyridyl)benzoyl)-10,15-dihydro-5H- tribenzo(a,d,g)cyclononane)dicadmium(ii) N-methylpyrrolidone clathrate","(N-methylpyrrolidone)tetranitroso bis[(±)-2,7,12-trimethoxy-3,8,13-tris[4- (4-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]dicadmium(II) N-methylpyrrolidone clathrate","","- C170 H188 Cd2 N20 O44 -","- C130 H108 Cd2 N12 O32 -","- C260 H216 Cd4 N24 O64 -","2","1","","Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.","New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12217","12227","10.1039/c1dt10662g","","","0.71073","MoKα","","0.1737","0.1066","","","0.274","0.3023","","","","","","0.936","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017174","16.2313","0.0008","16.7654","0.0009","17.7506","0.0009","112.858","0.002","94.933","0.002","101.901","0.002","4280.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","diaquo((±)-2,7,12-trimethoxy-3,8,13-tris(4-(4- pyridyl)benzoyl)-10,15-dihydro-5H-tribenzo(a,d,g)cyclononane)cobalt(ii) nitrate","diaquo[(±)-2,7,12-trimethoxy-3,8,13- tris[4-(4-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]cobalt(II) nitrate","","- C66 H61 Co N5 O13 -","- C60 H45 Co N3 O11 -","- C120 H90 Co2 N6 O22 -","2","1","","Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.","New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12217","12227","10.1039/c1dt10662g","","","0.71073","MoKα","","0.1147","0.0895","","","0.2278","0.2364","","","","","","1.503","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017175","11.379","0.002","18.072","0.004","21.416","0.004","105.58","0.03","94.6","0.03","94.5","0.03","4205.5","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","diaquonitrito((±)-2,7,12-trimethoxy-3,8,13-tris(3-(4- pyridyl)benzoyl)-10,15-dihydro-5H-tribenzo(a,d,g)cyclononane)cobalt(ii) nitrate","diaquonitrito[(±)-2,7,12-trimethoxy-3,8,13- tris[3-(4-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]cobalt(II) nitrate","","- C73.5 H81.5 Co N11.5 O22 -","- C60 H45 Co N3.5 O13 -","- C120 H90 Co2 N7 O26 -","2","1","","Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.","New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12217","12227","10.1039/c1dt10662g","","","0.6889","synchrotron","","0.1413","0.1117","","","0.2713","0.2963","","","","","","1.359","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017176","11.693","0.003","12.334","0.003","15.004","0.004","80.155","0.005","67.328","0.004","81.907","0.005","1960.6","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl2 Cu N7 O9 -","- C24 H23 Cl2 Cu N7 O9 -","- C48 H46 Cl4 Cu2 N14 O18 -","2","1","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","MoKα","","0.1393","0.0835","","","0.1835","0.2068","","","","","","0.87","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017177","14.9417","0.0006","15.2306","0.0007","16.0023","0.0007","71.288","0.001","63.771","0.002","82.833","0.001","3093.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 Cl3 Cu2 N15 O18 -","- C54 H54 Cl3 Cu2 N15 O18 -","- C108 H108 Cl6 Cu4 N30 O36 -","2","1","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","MoKα","","0.0844","0.0599","","","0.1717","0.1856","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017178","13.8253","0.001","16.9498","0.0011","17.9303","0.0013","68.45","0.002","84.851","0.003","69.359","0.002","3653.3","0.4","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Cl4 Cu2 N16 O17 -","- C58 H52 Cl4 Cu2 N16 O17 -","- C116 H104 Cl8 Cu4 N32 O34 -","2","1","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","MoKα","","0.1235","0.08","","","0.2135","0.2335","","","","","","0.976","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017179","10.8077","0.0006","11.9857","0.0006","13.8019","0.0007","112.315","0.002","98.88","0.001","100.592","0.001","1575.62","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 Cl2 Cu2 N14 O20 -","- C52 H60 Cl2 Cu2 N14 O20 -","- C52 H60 Cl2 Cu2 N14 O20 -","1","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","Mokα","","0.069","0.0559","","","0.1353","0.1441","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017180","10.7934","0.0011","11.9882","0.0013","13.8076","0.0014","112.292","0.001","99.127","0.002","100.434","0.002","1574.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Cl2 Cu2 N14 O20 -","- C52 H62 Cl2 Cu2 N14 O20 -","- C52 H62 Cl2 Cu2 N14 O20 -","1","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","Mokα","","0.0555","0.044","","","0.1126","0.1225","","","","","","1.011","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017181","16.678","0.0009","17.1571","0.001","19.011","0.0011","90","","90","","90","","5439.9","0.5","298","2","298","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C53 H52 Cl2 Cu2 N14 O14 -","- C53 H52 Cl2 Cu2 N14 O14 -","- C212 H208 Cl8 Cu8 N56 O56 -","4","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","Mokα","","0.1051","0.0675","","","0.1738","0.1957","","","","","","1.062","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017182","20.3801","0.0012","15.183","0.0009","10.222","0.0006","90","","94.282","0.001","90","","3154.2","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 Cl2 Cu2 N14 O17 -","- C54 H60 Cl2 Cu2 N14 O17 -","- C108 H120 Cl4 Cu4 N28 O34 -","2","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","MoKα","","0.1205","0.0743","","","0.1889","0.2012","","","","","","0.856","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017183","11.1837","0.0013","14.2473","0.0016","19.72","0.002","71.091","0.002","84.728","0.003","71.533","0.002","2819.3","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H100 Cl6 Cu4 N28 O32 -","- C102 H100 Cl6 Cu4 N28 O32 -","- C102 H100 Cl6 Cu4 N28 O32 -","1","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","MoKα","","0.1084","0.0642","","","0.159","0.1761","","","","","","0.978","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017184","23.243","0.002","13.6868","0.0015","20.161","0.002","90","","105.859","0.003","90","","6169.5","1.1","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Cl2 Cu2 N14 O12 -","- C56 H46 Cl2 Cu2 N14 O12 -","- C224 H184 Cl8 Cu8 N56 O48 -","4","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","MoKα","","0.0905","0.0684","","","0.1942","0.211","","","","","","1.043","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017185","10.543","0.008","14.6474","0.001","19.1303","0.0012","72.599","0.001","85.227","0.002","74.41","0.001","2715","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H88 Cl6 Cu4 N28 O28 -","- C104 H88 Cl6 Cu4 N28 O28 -","- C104 H88 Cl6 Cu4 N28 O28 -","1","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","MoKα","","0.1002","0.0622","","","0.1439","0.1584","","","","","","0.938","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017186","10.7676","0.0009","14.0064","0.0012","22.4703","0.0019","85.789","0.002","82.405","0.001","72.247","0.002","3197.2","0.5","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H116 Cu4 N28 O40 -","- C136 H116 Cu4 N28 O40 -","- C136 H116 Cu4 N28 O40 -","1","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","Mokα","","0.194","0.0727","","","0.1593","0.1888","","","","","","0.8","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017187","10.198","0.0009","17.0069","0.0018","18.553","0.002","74.333","0.002","74.272","0.003","77.117","0.002","2943","0.5","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H92 Cl6 Cu4 N28 O34 -","- C106 H92 Cl6 Cu4 N28 O34 -","- C106 H92 Cl6 Cu4 N28 O34 -","1","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","MoKα","","0.1592","0.0915","","","0.2148","0.2389","","","","","","0.902","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017188","7.2737","0.0015","10.6471","0.0018","11.3778","0.0015","90","","94.181","0.003","90","","878.8","0.3","90","2","90","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C18 H19 B F4 N4 Ni -","- C18 H19 B F4 N4 Ni -","- C36 H38 B2 F8 N8 Ni2 -","2","1","","Sanyal, Rajni; Cameron, Scott A.; Brooker, Sally","Synthesis and complexes of an N(4) Schiff-base macrocycle derived from 2,2'-iminobisbenzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12277","12287","10.1039/c1dt10730e","","","0.71073","MoKα","","0.0828","0.0504","","","0.1048","0.1169","","","","","","1.014","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017189","12.058","0.003","7.4261","0.0018","19.403","0.004","90","","94.651","0.015","90","","1731.7","0.7","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B Cu F4 N4 -","- C18 H19 B Cu F4 N4 -","- C72 H76 B4 Cu4 F16 N16 -","4","1","","Sanyal, Rajni; Cameron, Scott A.; Brooker, Sally","Synthesis and complexes of an N(4) Schiff-base macrocycle derived from 2,2'-iminobisbenzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12277","12287","10.1039/c1dt10730e","","","0.71073","MoKα","","0.0949","0.0767","","","0.1954","0.2081","","","","","","1.18","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017190","10.3702","0.0016","10.6201","0.0018","12.6948","0.0019","96.434","0.008","98.583","0.008","116.065","0.007","1216.8","0.3","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H53 B2 F8 N11 Zn2 -","- C51 H53 B2 F8 N11 Zn2 -","- C51 H53 B2 F8 N11 Zn2 -","1","1","","Sanyal, Rajni; Cameron, Scott A.; Brooker, Sally","Synthesis and complexes of an N(4) Schiff-base macrocycle derived from 2,2'-iminobisbenzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12277","12287","10.1039/c1dt10730e","","","0.71073","MoKα","","0.1156","0.0819","","","0.2008","0.2265","","","","","","1.04","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017191","8.894","0.008","13.097","0.012","19.98","0.015","90","","90","","90","","2327","3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Fe N7 O2 S2 -","- C21 H22 Fe N7 O2 S2 -","- C84 H88 Fe4 N28 O8 S8 -","4","1","","Sanyal, Rajni; Cameron, Scott A.; Brooker, Sally","Synthesis and complexes of an N(4) Schiff-base macrocycle derived from 2,2'-iminobisbenzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12277","12287","10.1039/c1dt10730e","","","0.71073","MoKα","","0.0832","0.0652","","","0.1389","0.1484","","","","","","1.038","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017192","10.0895","0.0002","9.4777","0.0002","15.1121","0.0003","90","","93.479","0.001","90","","1442.44","0.05","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Mn N O6.5 -","- C13 H18 Mn N O6.5 -","- C52 H72 Mn4 N4 O26 -","4","1","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Self-assembled decanuclear Na(I)(2)Mn(II)(4)Mn(III)(4) complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)(4)Mn(III)(4) unit displaying a large spin ground state and probable SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12201","12209","10.1039/c1dt10739a","","","0.71073","MoKα","","0.0398","0.0369","","","0.0863","0.0885","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017193","17.813","0.004","12.949","0.003","23.397","0.005","90","","100.75","0.03","90","","5302","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H134 Mn8 N12 Na2 O40 -","- C74 H134 Mn8 N12 Na2 O40 -","- C148 H268 Mn16 N24 Na4 O80 -","2","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Self-assembled decanuclear Na(I)(2)Mn(II)(4)Mn(III)(4) complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)(4)Mn(III)(4) unit displaying a large spin ground state and probable SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12201","12209","10.1039/c1dt10739a","","","0.71123","synchrotron","","0.0805","0.0726","","","0.1865","0.1916","","","","","","1.092","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017194","12.8576","0.0003","14.5491","0.0003","14.8713","0.0003","76.25","0.001","68.645","0.001","84.759","0.001","2516.64","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H130 Mn8 N12 Na2 O39 -","- C73 H122 Mn8 N12 Na2 O39 -","- C73 H122 Mn8 N12 Na2 O39 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Self-assembled decanuclear Na(I)(2)Mn(II)(4)Mn(III)(4) complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)(4)Mn(III)(4) unit displaying a large spin ground state and probable SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12201","12209","10.1039/c1dt10739a","","","0.71073","MoKα","","0.0704","0.0595","","","0.163","0.173","","","","","","1.025","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017195","25.8728","0.0006","24.3303","0.0005","16.0384","0.0004","90","","100.286","0.001","90","","9933.8","0.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H111 Mn8 N12 Na2 O35 -","- C66 H100 Mn8 N12 Na2 O32 -","- C264 H400 Mn32 N48 Na8 O128 -","4","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Self-assembled decanuclear Na(I)(2)Mn(II)(4)Mn(III)(4) complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)(4)Mn(III)(4) unit displaying a large spin ground state and probable SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12201","12209","10.1039/c1dt10739a","","","0.71073","MoKα","","0.0822","0.0658","","","0.1549","0.1647","","","","","","1.068","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017196","14.798","0.003","18.608","0.004","18.879","0.004","77.06","0.003","75.811","0.005","82.295","0.005","4894.7","1.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H118 K2 Mn8 N12 O37 -","- C69 H114 K2 Mn8 N12 O37 -","- C138 H228 K4 Mn16 N24 O74 -","2","1","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Self-assembled decanuclear Na(I)(2)Mn(II)(4)Mn(III)(4) complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)(4)Mn(III)(4) unit displaying a large spin ground state and probable SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12201","12209","10.1039/c1dt10739a","","","0.71073","MoKα","","0.1367","0.0975","","","0.2446","0.272","","","","","","1.046","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017197","17.813","0.004","12.949","0.003","23.397","0.005","90","","100.75","0.03","90","","5302","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H134 Mn8 N12 Na2 O40 -","- C70 H118 Mn8 N12 Na2 O36 -","- C140 H236 Mn16 N24 Na4 O72 -","2","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Self-assembled decanuclear Na(I)(2)Mn(II)(4)Mn(III)(4) complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)(4)Mn(III)(4) unit displaying a large spin ground state and probable SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12201","12209","10.1039/c1dt10739a","","","0.71123","synchrotron","","0.0678","0.0603","","","0.1535","0.1576","","","","","","1.089","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017198","12.8576","0.0003","14.5491","0.0003","14.8713","0.0003","76.25","0.001","68.645","0.001","84.759","0.001","2516.64","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H122 Mn8 N12 Na2 O39 -","- C66 H102 Mn8 N12 Na2 O32 -","- C66 H102 Mn8 N12 Na2 O32 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Self-assembled decanuclear Na(I)(2)Mn(II)(4)Mn(III)(4) complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)(4)Mn(III)(4) unit displaying a large spin ground state and probable SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12201","12209","10.1039/c1dt10739a","","","0.71073","MoKα","","0.0548","0.0463","","","0.1389","0.1459","","","","","","1.058","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017199","14.798","0.003","18.608","0.004","18.879","0.004","77.06","0.003","75.811","0.005","82.295","0.005","4894.7","1.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H114 K2 Mn8 N12 O37 -","- C64 H94 K2 Mn8 N12 O32 -","- C128 H188 K4 Mn16 N24 O64 -","2","1","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Self-assembled decanuclear Na(I)(2)Mn(II)(4)Mn(III)(4) complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)(4)Mn(III)(4) unit displaying a large spin ground state and probable SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12201","12209","10.1039/c1dt10739a","","","0.71073","MoKα","","0.1212","0.0881","","","0.2316","0.2522","","","","","","1.033","","","","has coordinates,has disorder","179875","2020-10-21","18:00:00",""
"7017200","13.9612","0.0003","10.3777","0.0002","13.9987","0.0002","90","","92.437","0.002","90","","2026.37","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl N3 O6 Ru S3 -","- C16 H20 Cl N3 O6 Ru S3 -","- C64 H80 Cl4 N12 O24 Ru4 S12 -","4","1","","De, Prinaka; Maji, Somnath; Dutta Chowdhury, Abhishek; Mobin, Shaikh M.; Kumar Mondal, Tapan; Paretzki, Alexa; Lahiri, Goutam Kumar","Ruthenium nitrosyl complexes with 1,4,7-trithiacyclononane and 2,2'-bipyridine (bpy) or 2-phenylazopyridine (pap) coligands. Electronic structure and reactivity aspects.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12527","12539","10.1039/c1dt10761e","","","0.71073","MoKα","","0.0203","0.0182","","","0.0475","0.0481","","","","","","1.064","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017201","16.7231","0.0007","10.3071","0.0003","17.457","0.0009","90","","116.828","0.006","90","","2685.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl3 N3 O13.5 Ru S3 -","- C16 H20 Cl3 N3 O13.5 Ru S3 -","- C64 H80 Cl12 N12 O54 Ru4 S12 -","4","1","","De, Prinaka; Maji, Somnath; Dutta Chowdhury, Abhishek; Mobin, Shaikh M.; Kumar Mondal, Tapan; Paretzki, Alexa; Lahiri, Goutam Kumar","Ruthenium nitrosyl complexes with 1,4,7-trithiacyclononane and 2,2'-bipyridine (bpy) or 2-phenylazopyridine (pap) coligands. Electronic structure and reactivity aspects.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12527","12539","10.1039/c1dt10761e","","","0.71073","MoKα","","0.0596","0.0429","","","0.1159","0.1202","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017202","25.0741","0.0006","11.9072","0.0002","16.1053","0.0003","90","","112.209","0.003","90","","4451.7","0.18","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Cl2 N3 O4 Ru S3 -","- C17 H21 Cl2 N3 O4 Ru S3 -","- C136 H168 Cl16 N24 O32 Ru8 S24 -","8","1","","De, Prinaka; Maji, Somnath; Dutta Chowdhury, Abhishek; Mobin, Shaikh M.; Kumar Mondal, Tapan; Paretzki, Alexa; Lahiri, Goutam Kumar","Ruthenium nitrosyl complexes with 1,4,7-trithiacyclononane and 2,2'-bipyridine (bpy) or 2-phenylazopyridine (pap) coligands. Electronic structure and reactivity aspects.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12527","12539","10.1039/c1dt10761e","","","0.71073","MoKα","","0.0561","0.0406","","","0.1004","0.1047","","","","","","1.057","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017203","19.033","0.002","9.4724","0.0009","15.2998","0.0016","90","","111.793","0.012","90","","2561.2","0.5","150","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl2 N4 O8 Ru S3 -","- C19 H24 Cl2 N4 O8 Ru S3 -","- C76 H96 Cl8 N16 O32 Ru4 S12 -","4","1","","De, Prinaka; Maji, Somnath; Dutta Chowdhury, Abhishek; Mobin, Shaikh M.; Kumar Mondal, Tapan; Paretzki, Alexa; Lahiri, Goutam Kumar","Ruthenium nitrosyl complexes with 1,4,7-trithiacyclononane and 2,2'-bipyridine (bpy) or 2-phenylazopyridine (pap) coligands. Electronic structure and reactivity aspects.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12527","12539","10.1039/c1dt10761e","","","0.71073","MoKα","","0.0936","0.0501","","","0.0899","0.1006","","","","","","0.941","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017204","11.5192","0.0009","23.074","0.002","8.5728","0.0009","90","","93.618","0.008","90","","2274.1","0.4","150","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N4 O6 Ru S3 -","- C17 H21 Cl N4 O6 Ru S3 -","- C68 H84 Cl4 N16 O24 Ru4 S12 -","4","1","","De, Prinaka; Maji, Somnath; Dutta Chowdhury, Abhishek; Mobin, Shaikh M.; Kumar Mondal, Tapan; Paretzki, Alexa; Lahiri, Goutam Kumar","Ruthenium nitrosyl complexes with 1,4,7-trithiacyclononane and 2,2'-bipyridine (bpy) or 2-phenylazopyridine (pap) coligands. Electronic structure and reactivity aspects.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12527","12539","10.1039/c1dt10761e","","","0.71073","MoKα","","0.0444","0.0397","","","0.075","0.0886","","","","","","1.272","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017205","15.864","0.003","23.356","0.003","17.036","0.002","90","","104.622","0.014","90","","6107.7","1.6","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H59 Ga La N7 O11 -","- C67 H59 Ga La N7 O11 -","- C268 H236 Ga4 La4 N28 O44 -","4","1","","Albrecht, Markus; Latorre, Irene; Mehmeti, Gent; Hengst, Konstantin; Oppel, Iris M.","Decorating the lanthanide terminus of self-assembled heterodinuclear lanthanum(iii)/gallium(iii) helicates.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12067","12074","10.1039/c1dt10775e","","","0.71073","MoKα","","0.1356","0.0406","","","0.0501","0.0601","","","","","","0.606","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017206","18.198","0.0012","18.198","0.0012","25.236","0.002","90","","90","","120","","7237.7","0.9","200","2","200","2","","","","","","","","9","P 63","P 6c","173","","","","- C60 H211 Cl2 Cu8 La2 N12 O75.5 Pd6 S12 -","- C60 H108 Cl1.99 Cu8 La2 N12 O75.5 Pd6 S12 -","- C120 H216 Cl3.98 Cu16 La4 N24 O151 Pd12 S24 -","2","0.333333","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.0497","0.0446","","","0.1129","0.1166","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017207","24.927","0.004","24.927","0.004","46.045","0.01","90","","90","","90","","28610","9","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H183 Ag8 Cl La2 N12 O62 Pd6 S12 -","- C62 H111 Ag8 Cl La2 N12 O62 Pd6 S12 -","- C496 H888 Ag64 Cl8 La16 N96 O496 Pd48 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71073","MoKα","","0.1111","0.0601","","","0.1384","0.1491","","","","","","0.933","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017208","24.4191","0.0005","24.4191","0.0005","47.638","0.0009","90","","90","","90","","28406.2","1","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H184 Ag8 Cl La2 N12 Ni6 O62.5 S12 -","- C62 H111 Ag8 Cl La2 N12 Ni6 O60 S12 -","- C496 H888 Ag64 Cl8 La16 N96 Ni48 O480 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.127","0.1151","","","0.2553","0.2628","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017209","24.8446","0.0013","24.8446","0.0013","47.2409","0.001","90","","90","","90","","29160","2","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H167 Ag8 Br La2 N12 O54 Pd6 S12 -","- C62 H111 Ag8 Br La2 N12 O54 Pd6 S12 -","- C496 H888 Ag64 Br8 La16 N96 O432 Pd48 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.111","0.0542","","","0.1299","0.141","","","","","","0.842","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017210","24.614","0.0019","24.614","0.0019","47.332","0.002","90","","90","","90","","28676","3","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H173 Ag8 I La2 N12 O57 Pd6 S12 -","- C62 H111 Ag8 I La2.03 N12 O57 Pd6 S12 -","- C496 H888 Ag64 I8 La16.24 N96 O456 Pd48 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.1572","0.0723","","","0.1496","0.1806","","","","","","0.955","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017211","24.605","0.0011","24.605","0.0011","46.814","0.002","90","","90","","90","","28341","2","200","2","200","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H162 Ag8 Cl La2 N12 O51.5 Pt6 S12 -","- C62 H111 Ag8 Cl La2.02 N12 O51.5 Pt6 S12 -","- C496 H888 Ag64 Cl8 La16.16 N96 O412 Pt48 S96 -","8","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.1142","0.0671","","","0.1592","0.1828","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017212","15.319","0.003","20.976","0.004","23.667","0.005","90","","105.245","0.007","90","","7337","3","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C60 H171 Cl3 Cu8 La2 N12 O55 Pd6 S12 -","- C60 H109 Cl3 Cu8 La2 N12 O55 Pd6 S12 -","- C120 H218 Cl6 Cu16 La4 N24 O110 Pd12 S24 -","2","1","","Yoshinari, Nobuto; Konno, Takumi","Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12191","12200","10.1039/c1dt10778j","","","0.71075","MoKα","","0.1207","0.0894","","","0.238","0.2701","","","","","","1.038","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017213","18.7977","0.0004","19.7726","0.0004","32.581","0.0007","82.617","0.001","84.762","0.001","65.012","0.001","10875.9","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C204 H168 B6 Co4 F24 N38 O8 S2 -","- C204 H164 B5 Co4 F20 N38 O8 S2 -","- C408 H328 B10 Co8 F40 N76 O16 S4 -","2","1","","Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D.","Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12132","12145","10.1039/c1dt10781j","","","0.71073","MoKα","","0.1503","0.1239","","","0.3592","0.3857","","","","","","1.551","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017214","18.976","0.005","36.829","0.01","32.327","0.01","90","","91.42","0.02","90","","22585","11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C185 H159 B8 F32 N41 O10 Zn4 -","- C185 H159 B6.5 F26 N41 O10 Zn4 -","- C740 H636 B26 F104 N164 O40 Zn16 -","4","1","","Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D.","Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12132","12145","10.1039/c1dt10781j","","","0.71073","MoKα","","0.2541","0.1947","","","0.4319","0.4722","","","","","","1.573","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017215","18.9821","0.0006","19.2984","0.0007","30.8148","0.001","86.206","0.002","86.115","0.002","65.108","0.002","10207.2","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C185 H159 B8 Cd4 F32 N41 O10 -","- C185 H159 B6 Cd4 F24 N41 O10 -","- C370 H318 B12 Cd8 F48 N82 O20 -","2","1","","Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D.","Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12132","12145","10.1039/c1dt10781j","","","0.71073","MoKα","","0.1545","0.117","","","0.3559","0.384","","","","","","1.398","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017216","19.071","0.0005","19.3566","0.0005","30.2041","0.0008","87.179","0.001","88.031","0.001","64.278","0.001","10031.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C188 H166 Cd4 N48 O33 -","- C188 H166 Cd4 N44.5 O22.5 -","- C376 H332 Cd8 N89 O45 -","2","1","","Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D.","Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12132","12145","10.1039/c1dt10781j","","","0.71073","MoKα","","0.1094","0.0853","","","0.2731","0.2962","","","","","","1.136","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017217","35.7585","0.0007","35.7585","0.0007","35.7585","0.0007","90","","90","","90","","45723.3","1.6","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C216 H174 B8 Cd4 F26 N36 -","- C216 H174 B5.5 Cd4 F16 N36 -","- C1728 H1392 B44 Cd32 F128 N288 -","8","0.333333","","Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D.","Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12132","12145","10.1039/c1dt10781j","","","0.71073","MoKα","","0.1156","0.0826","","","0.2156","0.2371","","","","","","0.99","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017218","37.1159","0.0012","37.0889","0.0011","37.974","0.0012","90","","118.119","0.002","90","","46105","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C186 H162 B8 F32 N42 Ni4 O12 -","- C186 H162 B6 F24 N42 Ni4 O12 -","- C1488 H1296 B48 F192 N336 Ni32 O96 -","8","2","","Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D.","Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12132","12145","10.1039/c1dt10781j","","","0.71073","MoKα","","0.1514","0.131","","","0.3904","0.4095","","","","","","1.705","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017219","17.718","0.002","12.449","0.0018","15.964","0.002","90","","103.858","0.003","90","","3418.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Br2 N4 O Pd2 S2 -","- C31 H40 Br2 N4 O Pd2 S2 -","- C124 H160 Br8 N16 O4 Pd8 S8 -","4","1","","Yuan, Dan; Huynh, Han Vinh","Syntheses and characterizations of thiolato-functionalized N-heterocyclic carbene Pd(ii) complexes with normal and mesoionic binding modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11698","11703","10.1039/c1dt10789e","","","0.71073","MoKα","","0.0596","0.0445","","","0.1082","0.1159","","","","","","1.038","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017220","16.9381","0.0014","8.983","0.0007","24.9425","0.0019","90","","91.468","0.002","90","","3793.9","0.5","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Br2 Cl4 N4 Pd2 S2 -","- C30 H38 Br2 Cl4 N4 Pd2 S2 -","- C120 H152 Br8 Cl16 N16 Pd8 S8 -","4","1","","Yuan, Dan; Huynh, Han Vinh","Syntheses and characterizations of thiolato-functionalized N-heterocyclic carbene Pd(ii) complexes with normal and mesoionic binding modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11698","11703","10.1039/c1dt10789e","","","0.71073","MoKα","","0.1321","0.0776","","","0.1432","0.1591","","","","","","1.079","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017221","15.3906","0.0004","24.2174","0.0006","24.4807","0.0007","90","","90.714","0.001","90","","9123.7","0.4","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H98 B2 F8 N8 Pd4 S6 -","- C76 H98 B2 F8 N8 Pd4 S6 -","- C304 H392 B8 F32 N32 Pd16 S24 -","4","1","","Yuan, Dan; Huynh, Han Vinh","Syntheses and characterizations of thiolato-functionalized N-heterocyclic carbene Pd(ii) complexes with normal and mesoionic binding modes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11698","11703","10.1039/c1dt10789e","","","0.71073","MoKα","","0.0859","0.0651","","","0.1743","0.1873","","","","","","1.047","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017222","13.0468","0.0003","13.4872","0.0003","14.3727","0.0003","102.579","0.002","109.123","0.001","90.039","0.002","2325.05","0.09","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Compound X","","","- C30 H28 Cu4 N18 O12 W2 -","- C30 H28 Cu4 N18 O12 W2 -","- C60 H56 Cu8 N36 O24 W4 -","2","1","","Korzeniak, Tomasz; Pinkowicz, Dawid; Nitek, Wojciech; Bałanda, Maria; Fitta, Magdalena; Sieklucka, Barbara","The role of carboxylate ligands in two novel cyanido-bridged 2D coordination networks Cu(II)-W(V) and Mn(II)-Nb(IV).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12350","12357","10.1039/c1dt10800j","","x-ray","0.71073","MoKα","","0.0673","0.0516","","","0.1273","0.1334","","","","","","1.099","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017223","29.5709","0.0007","7.5176","0.0002","25.2762","0.0006","90","","98.809","0.001","90","","5552.7","0.2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Mn5 N22 Nb2 O24 -","- C24 H18 Mn5 N22 Nb2 O24 -","- C96 H72 Mn20 N88 Nb8 O96 -","4","0.5","","Korzeniak, Tomasz; Pinkowicz, Dawid; Nitek, Wojciech; Bałanda, Maria; Fitta, Magdalena; Sieklucka, Barbara","The role of carboxylate ligands in two novel cyanido-bridged 2D coordination networks Cu(II)-W(V) and Mn(II)-Nb(IV).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12350","12357","10.1039/c1dt10800j","","","0.71073","MoKα","","0.1086","0.0547","","","0.1013","0.1154","","","","","","1.064","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017224","11.7783","0.0003","19.0859","0.0005","20.9814","0.0015","82.675","0.006","77.892","0.005","75.638","0.005","4453.4","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H110 B4 Cu2 F16 N8 O11 -","- C77 H110 B4 Cu2 F16 N8 O11 -","- C154 H220 B8 Cu4 F32 N16 O22 -","2","1","","Stevens, James R.; Plieger, Paul G.","Anion-driven conformation control and enhanced sulfate binding utilising aryl linked salicylaldoxime dicopper helicates.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12235","12241","10.1039/c1dt10808e","","","1.54178","Copper","","0.1141","0.0881","","","0.2404","0.2718","","","","","","1.089","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017225","14.7464","0.0008","15.6825","0.0008","21.3265","0.0015","95.308","0.007","109.898","0.008","104.436","0.007","4405.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H92 Cl4 Cu2 N8 O24 -","- C68 H92 Cl4 Cu2 N8 O24 -","- C136 H184 Cl8 Cu4 N16 O48 -","2","1","","Stevens, James R.; Plieger, Paul G.","Anion-driven conformation control and enhanced sulfate binding utilising aryl linked salicylaldoxime dicopper helicates.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12235","12241","10.1039/c1dt10808e","","","1.54178","Copper","","0.223","0.0828","","","0.1952","0.2413","","","","","","0.813","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017226","10.8782","0.0002","8.8537","0.0002","22.8729","0.0016","90","","92.114","0.007","90","","2201.44","0.17","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 N4 O4 -","- C48 H62 N4 O4 -","- C96 H124 N8 O8 -","2","0.5","","Stevens, James R.; Plieger, Paul G.","Anion-driven conformation control and enhanced sulfate binding utilising aryl linked salicylaldoxime dicopper helicates.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12235","12241","10.1039/c1dt10808e","","","1.54178","CuKα","","0.091","0.0611","","","0.1771","0.2127","","","","","","1.144","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017227","11.4781","0.0003","14.4375","0.0003","25.0402","0.0018","93.474","0.007","98.589","0.007","113.012","0.008","3744.1","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C137 H169 Cl3 Cu4 N16 O16 -","- C137 H169 Cl3 Cu4 N16 O16 -","- C137 H169 Cl3 Cu4 N16 O16 -","1","0.5","","Stevens, James R.; Plieger, Paul G.","Anion-driven conformation control and enhanced sulfate binding utilising aryl linked salicylaldoxime dicopper helicates.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12235","12241","10.1039/c1dt10808e","","","1.54178","CuKα","","0.0933","0.0761","","","0.2241","0.2462","","","","","","1.099","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017228","19.921","0.007","38.224","0.016","14.084","0.005","90","","134.89","0.005","90","","7598","5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H56 Cu4 N32 O16 -","- C64 H56 Cu4 N32 O16 -","- C256 H224 Cu16 N128 O64 -","4","0.5","","Mandal, Tarak Nath; Roy, Somnath; Konar, Saugata; Jana, Atanu; Ray, Sangita; Das, Kinsuk; Saha, Rajat; El Fallah, Mohamed Salah; Butcher, Ray J.; Chatterjee, Sudipta; Kar, Susanta Kumar","Self assembled tetranuclear Cu(4)(ii), Ni(4)(ii) [2 ×2] square grids and a dicopper(ii) complex of heterocycle based polytopic ligands - Magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11866","11875","10.1039/c1dt10813a","","","0.71073","MoKα","","0.0776","0.0619","","","0.1122","0.1178","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017229","14.745","0.001","21.597","0.001","26.18","0.002","90","","121.57","0.01","90","","7103.1","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 Cl4 Cu4 N24 O20 -","- C44 H44 Cl4 Cu4 N24 O20 -","- C176 H176 Cl16 Cu16 N96 O80 -","4","1","","Mandal, Tarak Nath; Roy, Somnath; Konar, Saugata; Jana, Atanu; Ray, Sangita; Das, Kinsuk; Saha, Rajat; El Fallah, Mohamed Salah; Butcher, Ray J.; Chatterjee, Sudipta; Kar, Susanta Kumar","Self assembled tetranuclear Cu(4)(ii), Ni(4)(ii) [2 ×2] square grids and a dicopper(ii) complex of heterocycle based polytopic ligands - Magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11866","11875","10.1039/c1dt10813a","","","0.71073","MoKα","","0.1792","0.0992","","","0.2698","0.3486","","","","","","1.043","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7017230","14.105","0.009","14.105","0.009","38.379","0.004","90","","90","","90","","7636","7","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H75 N34 Ni4 O24 -","- C68 H64 N34 Ni4 O24 -","- C272 H256 N136 Ni16 O96 -","4","0.25","","Mandal, Tarak Nath; Roy, Somnath; Konar, Saugata; Jana, Atanu; Ray, Sangita; Das, Kinsuk; Saha, Rajat; El Fallah, Mohamed Salah; Butcher, Ray J.; Chatterjee, Sudipta; Kar, Susanta Kumar","Self assembled tetranuclear Cu(4)(ii), Ni(4)(ii) [2 ×2] square grids and a dicopper(ii) complex of heterocycle based polytopic ligands - Magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11866","11875","10.1039/c1dt10813a","","","0.71073","MoKα","","0.0572","0.0535","","","0.1256","0.1284","","","","","","1.086","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017231","8.8162","0.0004","10.299","0.0005","16.3062","0.0005","74.779","0.003","88.629","0.003","65.135","0.004","1289.86","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cu2 N10 O12 -","- C19 H24 Cu2 N10 O12 -","- C38 H48 Cu4 N20 O24 -","2","1","","Mandal, Tarak Nath; Roy, Somnath; Konar, Saugata; Jana, Atanu; Ray, Sangita; Das, Kinsuk; Saha, Rajat; El Fallah, Mohamed Salah; Butcher, Ray J.; Chatterjee, Sudipta; Kar, Susanta Kumar","Self assembled tetranuclear Cu(4)(ii), Ni(4)(ii) [2 ×2] square grids and a dicopper(ii) complex of heterocycle based polytopic ligands - Magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11866","11875","10.1039/c1dt10813a","","","0.71073","MoKα","","0.0591","0.0345","","","0.0832","0.0875","","","","","","0.965","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017232","9.1288","0.0016","14.655","0.003","11.67","0.002","90","","101.561","0.003","90","","1529.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N2 S5 Zn -","- C13 H8 N2 S5 Zn -","- C52 H32 N8 S20 Zn4 -","4","1","","Madhu, Vedichi; Das, Samar K.","Neutral coordination polymers based on a metal-mono(dithiolene) complex: synthesis, crystal structure and supramolecular chemistry of [Zn(dmit)(4,4'-bpy)](n), [Zn(dmit)(4,4'-bpe)](n) and [Zn(dmit)(bix)](n) (4,4'-bpy = 4,4'-bipyridine, 4,4'-bpe = trans-1,2-bis(4-pyridyl)ethene, bix = 1,4-bis(imidazole-1-ylmethyl)-benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12901","12908","10.1039/c1dt10814j","","","0.71073","MoKα","","0.0687","0.0503","","","0.1061","0.1133","","","","","","1.095","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017233","9.211","0.002","19.641","0.004","20.97","0.005","105.288","0.003","97.714","0.004","94.959","0.004","3596.8","1.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 N8 O2 S20 Zn4 -","- C60 H40 N8 O2 S20 Zn4 -","- C120 H80 N16 O4 S40 Zn8 -","2","1","","Madhu, Vedichi; Das, Samar K.","Neutral coordination polymers based on a metal-mono(dithiolene) complex: synthesis, crystal structure and supramolecular chemistry of [Zn(dmit)(4,4'-bpy)](n), [Zn(dmit)(4,4'-bpe)](n) and [Zn(dmit)(bix)](n) (4,4'-bpy = 4,4'-bipyridine, 4,4'-bpe = trans-1,2-bis(4-pyridyl)ethene, bix = 1,4-bis(imidazole-1-ylmethyl)-benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12901","12908","10.1039/c1dt10814j","","","0.71073","MoKα","","0.2231","0.0873","","","0.1813","0.2424","","","","","","0.935","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017234","10.0567","0.0006","16.1864","0.001","13.0716","0.0008","90","","99.392","0.001","90","","2099.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N4 S5 Zn -","- C17 H14 N4 S5 Zn -","- C68 H56 N16 S20 Zn4 -","4","1","","Madhu, Vedichi; Das, Samar K.","Neutral coordination polymers based on a metal-mono(dithiolene) complex: synthesis, crystal structure and supramolecular chemistry of [Zn(dmit)(4,4'-bpy)](n), [Zn(dmit)(4,4'-bpe)](n) and [Zn(dmit)(bix)](n) (4,4'-bpy = 4,4'-bipyridine, 4,4'-bpe = trans-1,2-bis(4-pyridyl)ethene, bix = 1,4-bis(imidazole-1-ylmethyl)-benzene.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12901","12908","10.1039/c1dt10814j","","","0.71073","MoKα","","0.0991","0.0552","","","0.0946","0.1063","","","","","","0.972","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017235","11.7823","0.0009","27.558","0.002","9.8575","0.0008","90","","109.276","0.002","90","","3021.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu I N4 O8 -","- C28 H32 Cu I N4 O8 -","- C112 H128 Cu4 I4 N16 O32 -","4","1","","Smith, David J.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Inhibiting copper(i) iodide aggregate assembly in the solid state via macrocyclic encapsulation.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12257","12264","10.1039/c1dt10815h","","","0.71073","MoKα","","0.0639","0.0469","","","0.0896","0.0956","","","","","","1.05","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017236","9.4406","0.0005","11.3913","0.0006","12.9336","0.0007","94.923","0.001","96.118","0.001","97.922","0.001","1362.62","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 Cu I N5 O4 -","- C26 H31 Cu I N5 O4 -","- C52 H62 Cu2 I2 N10 O8 -","2","1","","Smith, David J.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Inhibiting copper(i) iodide aggregate assembly in the solid state via macrocyclic encapsulation.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12257","12264","10.1039/c1dt10815h","","","0.71073","MoKα","","0.0231","0.0217","","","0.0557","0.0566","","","","","","1.04","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017237","7.673","0.002","18.734","0.004","35.572","0.007","90","","90","","90","","5113","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H50 Cu2 I2 N4 O6 -","- C49 H50 Cu2 I2 N4 O6 -","- C196 H200 Cu8 I8 N16 O24 -","4","1","","Smith, David J.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Inhibiting copper(i) iodide aggregate assembly in the solid state via macrocyclic encapsulation.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12257","12264","10.1039/c1dt10815h","","","0.71073","MoKα","","0.0531","0.0435","","","0.0959","0.0994","","","","","","1.03","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017238","30.468","0.003","13.642","0.0012","11.0855","0.001","90","","106.397","0.001","90","","4420.2","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 As2 S6 -","- C48 H48 As2 S6 -","- C192 H192 As8 S24 -","4","0.5","","Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.","Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12125","12131","10.1039/c1dt10817d","","","0.71073","MoKα","","0.067","0.0468","","","0.121","0.1416","","","","","","1.088","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017239","14.454","0.0006","12.6952","0.0005","17.6319","0.0007","90","","90.15","0.001","90","","3235.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 As2 S6 -","- C30 H36 As2 S6 -","- C120 H144 As8 S24 -","4","1","","Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.","Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12125","12131","10.1039/c1dt10817d","","","0.71073","MoKα","","0.0651","0.0456","","","0.1025","0.1123","","","","","","1.066","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017240","26.66","0.007","10.399","0.003","20.779","0.006","90","","125.192","0.007","90","","4708","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 As2 S6 -","- C54 H42 As2 S6 -","- C216 H168 As8 S24 -","4","0.5","","Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.","Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12125","12131","10.1039/c1dt10817d","","","0.71073","MoKα","","0.1626","0.0756","","","0.1014","0.1318","","","","","","1.004","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017241","31.093","0.002","13.5902","0.001","10.6951","0.0008","90","","107.09","0.001","90","","4319.8","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 As2 S6 -","- C48 H36 As2 S6 -","- C192 H144 As8 S24 -","4","0.5","","Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.","Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12125","12131","10.1039/c1dt10817d","","","0.71073","MoKα","","0.0616","0.0418","","","0.0884","0.1004","","","","","","1.091","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017242","21.3256","0.0007","21.3256","0.0007","41.358","0.003","90","","90","","120","","16288.9","1.4","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36.33 H30.33 As2 Cl S6 -","- C36 H30 As2 S6 -","- C648 H540 As36 S108 -","18","0.5","","Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.","Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12125","12131","10.1039/c1dt10817d","","","0.71073","MoKα","","0.0447","0.0385","","","0.1041","0.1081","","","","","","1.075","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017243","21.0255","0.0007","21.0255","0.0007","21.0255","0.0007","69.14","","69.14","","69.14","","7831.4","0.5","173","2","173","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C37.25 H31.38 Cl3 N0.13 S6 Sb2 -","- C37 H31 Cl3 S6 Sb2 -","- C296 H248 Cl24 S48 Sb16 -","8","1.33333","","Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W.","Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12125","12131","10.1039/c1dt10817d","","","0.71073","MoKα","","0.081","0.0633","","","0.1789","0.1886","","","","","","1.37","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017244","23.08","0.0016","15.053","0.0011","32.656","0.003","90","","105.778","0.004","90","","10918","1.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H86.4 F24 N12 Ni2 O10.2 P4 -","- C94 H80 F24 N12 Ni2 O10.2 P4 -","- C376 H320 F96 N48 Ni8 O40.8 P16 -","4","0.5","","Glasson, Christopher R. K.; Meehan, George V.; Motti, Cherie A.; Clegg, Jack K.; Turner, Peter; Jensen, Paul; Lindoy, Leonard F.","Nickel(ii) and iron(ii) triple helicates assembled from expanded quaterpyridines incorporating flexible linkages.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12153","12159","10.1039/c1dt10820d","","","0.71073","MoKα","","0.0861","0.0735","","","0.218","0.2345","","","","","","1.094","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7017245","26.028","0.002","22.745","0.0017","21.466","0.0016","90","","113.663","0.002","90","","11639.6","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C114.5 H125.75 F24 N13.75 Ni2 O11.5 P4 -","- C114.5 H125.25 F24 N13.75 Ni2 O11.5 P4 -","- C458 H501 F96 N55 Ni8 O46 P16 -","4","1","","Glasson, Christopher R. K.; Meehan, George V.; Motti, Cherie A.; Clegg, Jack K.; Turner, Peter; Jensen, Paul; Lindoy, Leonard F.","Nickel(ii) and iron(ii) triple helicates assembled from expanded quaterpyridines incorporating flexible linkages.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12153","12159","10.1039/c1dt10820d","","","0.49594","","","0.1184","0.0624","","","0.1574","0.188","","","","","","1.01","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7017246","14.9978","0.0006","15.0666","0.0006","25.7786","0.0011","91.398","0.002","104.152","0.002","99.563","0.002","5556.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C98.7 H97.05 F24 N13.95 Ni2 O9 P4 -","- C98.7 H93.45 F24 N13.95 Ni2 O9 P4 -","- C197.4 H186.9 F48 N27.9 Ni4 O18 P8 -","2","1","","Glasson, Christopher R. K.; Meehan, George V.; Motti, Cherie A.; Clegg, Jack K.; Turner, Peter; Jensen, Paul; Lindoy, Leonard F.","Nickel(ii) and iron(ii) triple helicates assembled from expanded quaterpyridines incorporating flexible linkages.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12153","12159","10.1039/c1dt10820d","","","0.71073","MoKα","","0.1094","0.0734","","","0.2194","0.2408","","","","","","1.072","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7017247","23.6269","0.0013","11.929","0.0007","37.473","0.002","90","","91.397","0.002","90","","10558.4","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","S370 SQUEEZE","","","- C103 H139 N6 Na2 O11 -","- C103 H139 N6 Na2 O11 -","- C412 H556 N24 Na8 O44 -","4","0.5","","McIntosh, Ruaraidh D.; Taylor, Stephanie M.; Sanz, Sergio; Beavers, Christine M.; Teat, Simon J.; Brechin, Euan K.; Dalgarno, Scott J.","p-tert-Butylcalix[8]arene: A support for sodium and sodium-manganese clusters that exhibit interesting self-assembly properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12265","12270","10.1039/c1dt10821b","","","0.71073","MoKα","","0.0996","0.0747","","","0.1786","0.1903","","","","","","1.03","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017248","21.9752","0.0009","35.3446","0.0015","28.1668","0.001","90","","94.022","0.002","90","","21823.4","1.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","RM_2","","","- C208 H0 N5 Na4 Ni9 O23 -","- C206 H290 N10 Na4 O30 -","- C824 H1160 N40 Na16 O120 -","4","1","","McIntosh, Ruaraidh D.; Taylor, Stephanie M.; Sanz, Sergio; Beavers, Christine M.; Teat, Simon J.; Brechin, Euan K.; Dalgarno, Scott J.","p-tert-Butylcalix[8]arene: A support for sodium and sodium-manganese clusters that exhibit interesting self-assembly properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12265","12270","10.1039/c1dt10821b","","","0.71073","MoKα","","0.2557","0.1498","","","0.283","0.3155","","","","","","1.386","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017249","21.3476","0.0007","21.9552","0.0007","25.7882","0.0008","76.313","0.002","83.889","0.002","89.016","0.002","11676.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ST1238","","","- C208 H288 Mn2 N10 Na4 O32 -","- C208 H288 Mn2 N10 Na4 O32 -","- C416 H576 Mn4 N20 Na8 O64 -","2","1","","McIntosh, Ruaraidh D.; Taylor, Stephanie M.; Sanz, Sergio; Beavers, Christine M.; Teat, Simon J.; Brechin, Euan K.; Dalgarno, Scott J.","p-tert-Butylcalix[8]arene: A support for sodium and sodium-manganese clusters that exhibit interesting self-assembly properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12265","12270","10.1039/c1dt10821b","","","0.7749","synchrotron","","0.1389","0.0927","","","0.2341","0.2543","","","","","","1.504","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017250","10.55","0.004","13.034","0.005","12.051","0.005","90","","93.628","0.005","90","","1653.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl2 N2 O Ti -","- C18 H13 Cl2 N2 O Ti -","- C72 H52 Cl8 N8 O4 Ti4 -","4","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Syntheses, reactions, and ethylene polymerization of half-sandwich titanium complexes containing salicylbenzoxazole and salicylbenzothiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11914","11919","10.1039/c1dt10851d","","","0.71073","MoKα","","0.0582","0.0493","","","0.1365","0.1432","","","","","","1.052","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017251","11.758","0.005","10.74","0.005","14.181","0.006","90","","102.971","0.006","90","","1745.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl2 N O2 Ti -","- C19 H15 Cl2 N O2 Ti -","- C76 H60 Cl8 N4 O8 Ti4 -","4","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Syntheses, reactions, and ethylene polymerization of half-sandwich titanium complexes containing salicylbenzoxazole and salicylbenzothiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11914","11919","10.1039/c1dt10851d","","","0.71073","MoKα","","0.0687","0.05","","","0.118","0.1272","","","","","","0.951","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017252","6.144","0.0012","10.443","0.002","15.363","0.003","108.94","0.03","91.62","0.03","103.19","0.03","902.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cd N4 O9 -","- C13 H16 Cd N4 O9 -","- C26 H32 Cd2 N8 O18 -","2","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Self-assembled metallo-macrocycle based coordination polymers with unsymmetrical amide ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12374","12380","10.1039/c1dt10853k","","","0.7107","MoKα","","0.0348","0.0275","","","0.0667","0.0677","","","","","","0.999","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017253","15.507","0.003","7.084","0.0014","20.918","0.004","90","","90","","90","","2297.9","0.8","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cu N3 O3 -","- C13 H9 Cu N3 O3 -","- C104 H72 Cu8 N24 O24 -","8","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Self-assembled metallo-macrocycle based coordination polymers with unsymmetrical amide ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12374","12380","10.1039/c1dt10853k","","","0.71073","MoKα","","0.0362","0.0352","","","0.0986","0.1003","","","","","","1.105","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017254","8.109","0.006","11.029","0.009","13.128","0.01","104.427","0.012","104.395","0.003","104.536","0.011","1038.3","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cd N4 O10 -","- C16 H24 Cd N4 O10 -","- C32 H48 Cd2 N8 O20 -","2","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Self-assembled metallo-macrocycle based coordination polymers with unsymmetrical amide ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12374","12380","10.1039/c1dt10853k","","","0.71075","MoKα","","0.037","0.0346","","","0.09","0.0912","","","","","","1.044","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017255","11.5605","0.0011","19.9973","0.0012","19.0547","0.0013","90","","103.352","0.009","90","","4286","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cd N3 O6 S0.5 -","- C13 H12 Cd N3 O6 S0.5 -","- C104 H96 Cd8 N24 O48 S4 -","8","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Self-assembled metallo-macrocycle based coordination polymers with unsymmetrical amide ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12374","12380","10.1039/c1dt10853k","","","0.71073","MoKα","","0.1819","0.1094","","","0.2719","0.2909","","","","","","1.183","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017256","10.403","0.002","33.827","0.007","19.688","0.004","90","","92.82","0.03","90","","6920","2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 Cd3 N15 O22.5 -","- C54 H47 Cd3 N15 O22.5 -","- C216 H188 Cd12 N60 O90 -","4","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Self-assembled metallo-macrocycle based coordination polymers with unsymmetrical amide ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12374","12380","10.1039/c1dt10853k","","","0.71073","MoKα","","0.0733","0.0676","","","0.1995","0.2042","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017257","12.0397","0.0006","12.472","0.0007","14.6244","0.0008","88.444","0.004","79.269","0.004","61.21","0.005","1885.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H96 Fe4 K2 O28 P2 -","- C60 H96 Fe4 K2 O28 P2 -","- C60 H96 Fe4 K2 O28 P2 -","1","0.5","","Gopal, Kandasamy; Tuna, Floriana; Winpenny, Richard E. P.","Octa- and hexametallic iron(iii)-potassium phosphonate cages.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12044","12047","10.1039/c1dt10855g","","","0.71073","MoKα","","0.0518","0.0305","","","0.0633","0.0658","","","","","","0.878","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017258","13.5243","0.0006","13.868","0.0008","22.6682","0.0012","90.831","0.004","91.805","0.004","95.392","0.004","4230","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H112 Fe6 K2 O36 P4 -","- C53.627 H104.762 Fe6 K2 O35.3135 P4 -","- C107.254 H209.524 Fe12 K4 O70.627 P8 -","2","1","","Gopal, Kandasamy; Tuna, Floriana; Winpenny, Richard E. P.","Octa- and hexametallic iron(iii)-potassium phosphonate cages.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12044","12047","10.1039/c1dt10855g","","","0.71073","MoKα","","0.0853","0.0484","","","0.1154","0.1238","","","","","","0.928","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017259","13.5634","0.0014","13.9106","0.0009","22.5727","0.0015","90.608","0.005","92.39","0.007","95.525","0.007","4235","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H110 Fe6 K2 O35 P4 -","- C54 H103 Fe6 K2 O35 P4 -","- C108 H206 Fe12 K4 O70 P8 -","2","1","","Gopal, Kandasamy; Tuna, Floriana; Winpenny, Richard E. P.","Octa- and hexametallic iron(iii)-potassium phosphonate cages.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12044","12047","10.1039/c1dt10855g","","","0.71073","MoKα","","0.0753","0.0431","","","0.1072","0.1183","","","","","","0.965","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017260","7.2976","0.0005","9.6537","0.0007","12.7994","0.001","90","","94.058","0.004","90","","899.44","0.11","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sodium p-toluenethiosulfonate","","","- C7 H7 Na O2 S2 -","- C7 H7 Na O2 S2 -","- C28 H28 Na4 O8 S8 -","4","0.5","","Fischmann, Adam J.; Spiccia, Leone","Sodium thiosulfonate salts: Molecular and supramolecular structural features and solution radiolytic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12310","12319","10.1039/c1dt10857c","","","0.71073","MoKα","","0.0372","0.0352","","","0.0726","0.0734","","","","","","1.24","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017261","26.688","0.003","6.4934","0.0008","11.113","0.0013","90","","103.873","0.007","90","","1869.7","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sodium benzenethiosulfonate hemitrihydrate","","","- C6 H8 Na O3.5 S2 -","- C6 H8 Na O3.5 S2 -","- C48 H64 Na8 O28 S16 -","8","1","","Fischmann, Adam J.; Spiccia, Leone","Sodium thiosulfonate salts: Molecular and supramolecular structural features and solution radiolytic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12310","12319","10.1039/c1dt10857c","","","0.71073","MoKα","","0.0489","0.0411","","","0.0731","0.0771","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017262","8.4355","0.0009","23.1135","0.0012","9.0064","0.0009","90","","117.123","0.013","90","","1562.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N2 -","- C36 H48 N2 -","- C72 H96 N4 -","2","0.5","","Hart, John S.; Parsons, Simon; Love, Jason B.","Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12025","12027","10.1039/c1dt10861a","","","0.71073","MoKα","","0.0933","0.0646","","","0.1564","0.1759","","","","","","1.023","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017263","23.679","0.003","10.692","0.001","26.106","0.004","90","","109.228","0.014","90","","6240.7","1.5","171","2","171","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 N2 -","- C36 H52 N2 -","- C288 H416 N16 -","8","1","","Hart, John S.; Parsons, Simon; Love, Jason B.","Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12025","12027","10.1039/c1dt10861a","","","0.71073","MoKα","","0.1018","0.0639","","","0.1489","0.1708","","","","","","1.011","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017264","14.0602","0.0013","12.127","0.0009","18.9923","0.0017","90","","107.588","0.009","90","","3087","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 Cl7 Co N2 O -","- C21 H41 Cl7 Co N2 O -","- C84 H164 Cl28 Co4 N8 O4 -","4","1","","Hart, John S.; Parsons, Simon; Love, Jason B.","Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12025","12027","10.1039/c1dt10861a","","","0.71073","MoKα","","0.0777","0.05","","","0.1052","0.1169","","","","","","1.022","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017265","9.5094","0.0008","10.1009","0.0008","13.8791","0.001","88.205","0.006","85.706","0.006","61.321","0.008","1166.29","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 Cl10 N2 Zn4 -","- C36 H50 Cl10 N2 Zn4 -","- C36 H50 Cl10 N2 Zn4 -","1","0.5","","Hart, John S.; Parsons, Simon; Love, Jason B.","Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12025","12027","10.1039/c1dt10861a","","","0.71073","MoKα","","0.045","0.0307","","","0.0712","0.0792","","","","","","0.956","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017266","15.708","0.003","18.709","0.003","14.422","0.002","90","","101.312","0.018","90","","4156","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H50 Cl6 N2 Pd3 -","- C36 H50 Cl6 N2 Pd3 -","- C144 H200 Cl24 N8 Pd12 -","4","1","","Hart, John S.; Parsons, Simon; Love, Jason B.","Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12025","12027","10.1039/c1dt10861a","","","0.71073","MoKα","","0.1045","0.0687","","","0.1328","0.1537","","","","","","1.076","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017267","15.708","0.003","18.709","0.003","14.422","0.002","90","","101.312","0.018","90","","4156","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H50 Cl6 N2 Pd3 -","- C36 H50 Cl6 N2 Pd3 -","- C144 H200 Cl24 N8 Pd12 -","4","1","","Hart, John S.; Parsons, Simon; Love, Jason B.","Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12025","12027","10.1039/c1dt10861a","","","0.71073","MoKα","","0.0874","0.0641","","","0.1433","0.16","","","","","","1.062","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017268","33.4649","0.0008","33.4755","0.0008","26.6222","0.0006","90","","127.581","0.002","90","","23635","1.2","130","2","130","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C12 H74 As2 Dy2 K7 N2 Na O109 W21 -","- C12 H8 As2 Dy2 K3.5 N2 O108.5 W21 -","- C96 H64 As16 Dy16 K28 N16 O868 W168 -","8","2","","Ritchie, Chris; Miller, Chloë E; Boskovic, Colette","The generation of a novel polyoxometalate-based 3D framework following picolinate-chelation of tungsten and potassium centres.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12037","12039","10.1039/c1dt10866b","","","1.54184","CuKα","","0.0786","0.0657","","","0.1586","0.1636","","","","","","0.921","","","","has coordinates","290444","2024-03-12","09:55:29",""
"7017269","26.362","0.007","12.458","0.003","26.554","0.006","90","","106.879","0.005","90","","8345","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Br4 Cl4 N6 O4 -","- C38 H36 Br4 Cl4 N6 O4 -","- C304 H288 Br32 Cl32 N48 O32 -","8","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; García-Santos, Isabel; Sanmartín, Jesús; Mota, Antonio J.; Pérez-Lustres, J Luis","Ferromagnetic heterotrinuclear Cu-Ni complexes of a compartmental chiral Schiff base.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11770","11780","10.1039/c1dt10897b","","","0.71073","MoKα","","0.1462","0.0596","","","0.1076","0.142","","","","","","0.978","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017270","13.0857","0.0009","13.6167","0.001","17.0194","0.0012","72.997","0.004","88.993","0.004","67.063","0.004","2654.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44.5 H48 Br4 Cl4 Cu N6 Ni2 O10.75 -","- C44.5 H48 Br4 Cl4 Cu N6 Ni2 O10.75 -","- C89 H96 Br8 Cl8 Cu2 N12 Ni4 O21.5 -","2","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; García-Santos, Isabel; Sanmartín, Jesús; Mota, Antonio J.; Pérez-Lustres, J Luis","Ferromagnetic heterotrinuclear Cu-Ni complexes of a compartmental chiral Schiff base.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11770","11780","10.1039/c1dt10897b","","","0.71073","MoKα","","0.0997","0.0517","","","0.114","0.1346","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017271","9.925","0.0002","19.102","0.0005","33.342","0.0008","90","","98.039","0.001","90","","6259.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H43.5 Br4 Cl4 Cu2 N6 Ni O11.75 -","- C42.5 H43.5 Br4 Cl4 Cu2 N6 Ni O11.75 -","- C170 H174 Br16 Cl16 Cu8 N24 Ni4 O47 -","4","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; García-Santos, Isabel; Sanmartín, Jesús; Mota, Antonio J.; Pérez-Lustres, J Luis","Ferromagnetic heterotrinuclear Cu-Ni complexes of a compartmental chiral Schiff base.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11770","11780","10.1039/c1dt10897b","","","0.71073","MoKα","","0.0847","0.0662","","","0.1716","0.1787","","","","","","1.095","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017272","9.287","0.001","28.242","0.003","16.667","0.002","90","","97.03","0.002","90","","4338.6","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.25 H33.25 Co2 N4.75 O10.75 -","- C29 H15 Co2 N3 O9 -","- C116 H60 Co8 N12 O36 -","4","1","","Jia, Junhua; Athwal, Harprit Singh; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Schröder, Martin","Increasing nuclearity of secondary building units in porous cobalt(ii) metal-organic frameworks: Variation in structure and H(2) adsorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12342","12349","10.1039/c1dt10901d","","","0.71073","MoKα","","0.0715","0.0503","","","0.139","0.148","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7017273","11.85","0.002","13.853","0.002","13.944","0.002","90","","114.793","0.003","90","","2078","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Co N3 O6 -","- C19 H21 Co N3 O6 -","- C76 H84 Co4 N12 O24 -","4","1","","Jia, Junhua; Athwal, Harprit Singh; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Schröder, Martin","Increasing nuclearity of secondary building units in porous cobalt(ii) metal-organic frameworks: Variation in structure and H(2) adsorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12342","12349","10.1039/c1dt10901d","","","0.71073","MoKα","","0.104","0.0753","","","0.181","0.197","","","","","","1.04","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017274","10.164","0.006","13.363","0.008","22.395","0.013","86.833","0.009","80.346","0.008","83.224","0.009","2976","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.75 H74.75 Co3 N10.25 O20.75 -","- C40.5 H21 Co3 N3.5 O14 -","- C81 H42 Co6 N7 O28 -","2","1","","Jia, Junhua; Athwal, Harprit Singh; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Schröder, Martin","Increasing nuclearity of secondary building units in porous cobalt(ii) metal-organic frameworks: Variation in structure and H(2) adsorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12342","12349","10.1039/c1dt10901d","","","0.6902","synchrotron","","0.138","0.0799","","","0.203","0.224","","","","","","0.84","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017275","39.2647","0.0009","39.2647","0.0009","39.2647","0.0009","90","","90","","90","","60535","2","100","","100","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C56 H106 Cl2 Fe12 N8 O38 -","- C56 H106 Fe12 N8 O38 -","- C1344 H2544 Fe288 N192 O912 -","24","0.25","","Graham, Kristoffer; Douglas, Fraser J.; Mathieson, Jennifer S.; Moggach, Stephen A.; Schnack, Jürgen; Murrie, Mark","Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12271","12276","10.1039/c1dt10910c","","","0.71073","MoKα","","0.0334","0.0253","","0.0741","0.0614","0.0741","","","","","","0.824","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017276","7.522","0.0008","6.6202","0.0007","11.1582","0.0012","90","","108.875","0.004","90","","525.77","0.1","120","2","120","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","AS-15 2-(4-tolyl)-2,4-pentanedione","","- C12 H14 O2 -","- C12 H14 O2 -","- C24 H28 O4 -","2","0.5","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0668","0.0551","","","0.1829","0.1972","","","","","","1.377","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017277","20.2258","0.0014","6.7622","0.0005","7.3688","0.0005","90","","90","","90","","1007.84","0.12","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","AS-14 2-(4-chlorophenyl)-2,4-pentanedione","","- C11 H11 Cl O2 -","- C11 H11 Cl O2 -","- C44 H44 Cl4 O8 -","4","0.5","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0504","0.0416","","","0.1146","0.1202","","","","","","1.019","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017278","20.4766","0.0018","6.807","0.0006","7.3506","0.0006","90","","90","","90","","1024.56","0.15","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","AS-5 2-(4-bromophenyl)-2,4-pentanedione","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","0.5","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0384","0.0259","","","0.0604","0.0653","","","","","","1.026","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017279","21.0708","0.0012","6.9034","0.0004","7.3624","0.0004","90","","90","","90","","1070.94","0.1","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","PC-7-3-Iacac 2-(4-iodophenyl)-2,4-pentanedione","","- C11 H11 I O2 -","- C11 H11 I O2 -","- C44 H44 I4 O8 -","4","0.5","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0209","0.0186","","","0.0467","0.0478","","","","","","1.068","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017280","11.9427","0.0006","16.3128","0.0008","21.4984","0.0011","90","","90","","90","","4188.3","0.4","120","2","120","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","AS-12 2-(4-tolyl)-2,4-pentanedione, copper(II) tetrafluoroborate","","- C24 H26 Cu O4 -","- C24 H26 Cu O4 -","- C192 H208 Cu8 O32 -","8","0.25","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0315","0.0284","","","0.0858","0.0881","","","","","","1.057","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017281","11.9763","0.0007","15.8265","0.0009","21.7849","0.0011","90","","90","","90","","4129.2","0.4","120","2","120","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","D1 bis[2-(4-chlorophenyl)-2,4-pentanedionato]copper(II)","","- C22 H20 Cl2 Cu O4 -","- C22 H20 Cl2 Cu O4 -","- C176 H160 Cl16 Cu8 O32 -","8","0.25","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0294","0.0267","","","0.0852","0.0873","","","","","","1.109","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017282","12.0389","0.0011","15.8409","0.0012","22.1627","0.0017","90","","90","","90","","4226.6","0.6","120","2","120","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","AS-6 bis[2-(4-bromophenyl)-2,4-pentanedionato]copper(II)","","- C22 H20 Br2 Cu O4 -","- C22 H20 Br2 Cu O4 -","- C176 H160 Br16 Cu8 O32 -","8","0.25","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0501","0.0313","","","0.0737","0.0806","","","","","","1.037","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017283","8.251","0.0004","7.7262","0.0004","17.8085","0.001","90","","101.525","0.003","90","","1112.38","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AS-10 2-(4-iodophenyl)-2,4-pentanedione, copper(II) nitrate","","- C22 H20 Cu I2 O4 -","- C22 H20 Cu I2 O4 -","- C44 H40 Cu2 I4 O8 -","2","0.5","","Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John","Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12160","12168","10.1039/c1dt10911a","","","0.71073","MoKα","","0.0434","0.0349","","","0.0848","0.0898","","","","","","1.01","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017284","9.0858","0.0011","9.1643","0.0012","9.794","0.0013","112.078","0.01","101.018","0.01","93.931","0.01","732.88","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 Dy2 Na2 O18 -","- C18 H32 Dy2 Na2 O18 -","- C18 H32 Dy2 Na2 O18 -","1","0.5","","Majeed, Zeeshan; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.","Fine-tuning of lanthanide-monocarboxylate coordination networks through ligand decoration.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12210","12216","10.1039/c1dt10917k","","","0.71073","MoKα","","0.0288","0.0262","","","0.0691","0.07","","","","","","1.039","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7017285","16.3848","0.0007","16.3848","0.0007","16.3848","0.0007","90","","90","","90","","4398.7","0.3","180","2","180","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C32 H56 Dy2 Na2 O16 -","- C32 H56 Dy2 Na2 O16 -","- C128 H224 Dy8 Na8 O64 -","4","0.25","","Majeed, Zeeshan; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.","Fine-tuning of lanthanide-monocarboxylate coordination networks through ligand decoration.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12210","12216","10.1039/c1dt10917k","","","0.71073","MoKα","","0.0242","0.0231","","","0.0576","0.0581","","","","","","1.052","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7017286","7.027","0.0001","22.146","0.0008","9.201","0.0003","90","","91.499","0.002","90","","1431.37","0.07","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- Cl4 H14 N5 O4 P Ru Zn -","- Cl4 H14 N5 O4 P Ru Zn -","- Cl16 H56 N20 O16 P4 Ru4 Zn4 -","4","1","","Truzzi, Daniela Ramos; Ferreira, Antonio Gilberto; da Silva, Sebastião Claudino; Castellano, Eduardo Ernesto; Chagas Alves Lima, Francisco das; Franco, Douglas Wagner","Nitrosyl induces phosphorous-acid dissociation in ruthenium(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12917","12925","10.1039/c1dt10936g","","x-ray","0.71073","MoKα","","0.0493","0.0374","","","0.0934","0.0992","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017287","16.778","0.0014","7.2899","0.0009","14.6759","0.0011","90","","101.533","0.009","90","","1758.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 N4 O6 S2 -","- C32 H54 N4 O6 S2 -","- C64 H108 N8 O12 S4 -","2","0.5","","Oelkers, Benjamin; Sundermeyer, Jörg","Sulfonate-tagged 1,4-diazabutadiene (DAD(S)) ligands and their noble-metal complexes - synthesis, characterization and immobilization in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12727","12741","10.1039/c1dt10939a","","","0.71073","MoKα","","0.0893","0.0375","","","0.0744","0.0828","","","","","","0.761","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017288","8.6734","0.001","9.4661","0.0012","11.6547","0.0013","88.301","0.014","88.487","0.014","85.669","0.015","953.5","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 N6 O6 S2 -","- C36 H52 N6 O6 S2 -","- C36 H52 N6 O6 S2 -","1","0.5","","Oelkers, Benjamin; Sundermeyer, Jörg","Sulfonate-tagged 1,4-diazabutadiene (DAD(S)) ligands and their noble-metal complexes - synthesis, characterization and immobilization in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12727","12741","10.1039/c1dt10939a","","","0.71073","MoKα","","0.0555","0.0389","","","0.0999","0.108","","","","","","1.027","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017289","7.4331","0.0003","8.3007","0.0004","17.9835","0.0009","86.492","0.004","84.986","0.004","65.819","0.003","1007.95","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 N6 O6 S2 -","- C40 H60 N6 O6 S2 -","- C40 H60 N6 O6 S2 -","1","0.5","","Oelkers, Benjamin; Sundermeyer, Jörg","Sulfonate-tagged 1,4-diazabutadiene (DAD(S)) ligands and their noble-metal complexes - synthesis, characterization and immobilization in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12727","12741","10.1039/c1dt10939a","","","0.71073","MoKα","","0.0616","0.0446","","","0.1069","0.1122","","","","","","0.916","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017290","18.7969","0.0013","8.4216","0.0006","14.6542","0.0011","90","","93.811","0.006","90","","2314.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 N6 O6 S2 -","- C46 H72 N6 O6 S2 -","- C92 H144 N12 O12 S4 -","2","0.5","","Oelkers, Benjamin; Sundermeyer, Jörg","Sulfonate-tagged 1,4-diazabutadiene (DAD(S)) ligands and their noble-metal complexes - synthesis, characterization and immobilization in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12727","12741","10.1039/c1dt10939a","","","0.71073","MoKα","","0.2121","0.0493","","","0.0516","0.0785","","","","","","0.576","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017291","13.5983","0.0005","7.4017","0.0003","38.4451","0.0014","90","","90.841","0.003","90","","3869.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C32 H54 Cl2 N4 O6 Pd S2 -","- C32 H54 Cl2 N4 O6 Pd S2 -","- C128 H216 Cl8 N16 O24 Pd4 S8 -","4","1","","Oelkers, Benjamin; Sundermeyer, Jörg","Sulfonate-tagged 1,4-diazabutadiene (DAD(S)) ligands and their noble-metal complexes - synthesis, characterization and immobilization in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12727","12741","10.1039/c1dt10939a","","","0.71073","MoKα","","0.1552","0.0677","","","0.1473","0.1666","","","","","","0.777","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017292","15.029","0.001","8.5164","0.0006","12.0811","0.0007","90","","90","","90","","1546.3","0.17","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H28 B4 N Y -","- C4 H28 B4 N Y -","- C16 H112 B16 N4 Y4 -","4","0.5","","Jaroń, Tomasz; Grochala, Wojciech","Probing Lewis acidity of Y(BH(4))(3)via its reactions with MBH(4) (M = Li, Na, K, NMe(4)).","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12808","12817","10.1039/c1dt10955c","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017293","15.368","0.003","15.368","0.003","9.914","0.003","90","","90","","90","","2341.4","1","123.15","","123.15","","","","","","","","","7","P 4/m c c","-P 4 2c","124","H(SmV(TPPS)O)n","H[SmV(TPPS)O]n","","- C44 H26 N4 O13 S4 Sm V -","- C44 H24 N4 O13 S4 Sm V -","- C88 H48 N8 O26 S8 Sm2 V2 -","2","0.125","","Chen, Wen-Tong; Yamada, Yusuke; Liu, Guang-Ning; Kubota, Akira; Ichikawa, Takayuki; Kojima, Yoshitsugu; Guo, Guo-Cong; Fukuzumi, Shunichi","X-Ray crystal structure of [HSm{V(IV)O(TPPS)}](n) and encapsulation of nitrogen molecules in 1-D channels.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12826","12831","10.1039/c1dt10956a","","","0.71073","MoKα","","0.0675","0.0648","","","0.1677","0.1703","","","","","","1.02","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017294","15.3904","0.0008","15.3904","0.0008","9.8586","0.0005","90","","90","","90","","2335.2","0.2","123","2","123","2","","","","","","","","7","P 4/m c c","-P 4 2c","124","(HSm(VIVO(TPPS)).2N2)n","[HSm{VIVO(TPPS)}.2N2]n","","- C44 H26 N8 O13 S4 Sm V -","- C44 H24 N8 O13 S4 Sm V -","- C88 H48 N16 O26 S8 Sm2 V2 -","2","0.125","","Chen, Wen-Tong; Yamada, Yusuke; Liu, Guang-Ning; Kubota, Akira; Ichikawa, Takayuki; Kojima, Yoshitsugu; Guo, Guo-Cong; Fukuzumi, Shunichi","X-Ray crystal structure of [HSm{V(IV)O(TPPS)}](n) and encapsulation of nitrogen molecules in 1-D channels.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12826","12831","10.1039/c1dt10956a","","","0.7107","MoKα","","0.0807","0.0764","","","0.2328","0.2338","","","","","","1.998","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017295","11.9264","0.0001","11.9264","0.0001","20.0544","0.0003","90","","90","","90","","2852.52","0.05","100","1","100","1","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C40 H40 Ca Cl8 N2 O16 Sn -","- C40 H40 Ca Cl8 N2 O16 Sn -","- C80 H80 Ca2 Cl16 N4 O32 Sn2 -","2","0.125","","Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard","Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12242","12247","10.1039/c1dt10962f","","","0.71073","MoKα","","0.0201","0.0182","","","0.0432","0.0441","","","","","","1.094","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017296","11.9699","0.0003","11.9699","0.0003","20.341","0.0009","90","","90","","90","","2914.43","0.17","100","1","100","2","","","","","","","","8","I 4 2 2","I 4 2","97","","","","- C42 H40 Ca Cl8 N2 O16 S4 Sn -","- C40 H40 Ca Cl8 N2 O16 S4 Sn -","- C80 H80 Ca2 Cl16 N4 O32 S8 Sn2 -","2","0.125","","Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard","Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12242","12247","10.1039/c1dt10962f","","","0.71073","MoKα","","0.0431","0.0364","","","0.0895","0.0928","","","","","","1.088","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017297","11.9523","0.0002","11.9523","0.0002","20.209","0.0007","90","","90","","90","","2887.01","0.12","100","1","100","1","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C44 H47 Ca Cl8 N4 O16.5 Sn -","- C44 H40 Ca Cl8 N4 O16.5 Sn -","- C88 H80 Ca2 Cl16 N8 O33 Sn2 -","2","0.125","","Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard","Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12242","12247","10.1039/c1dt10962f","","","0.71073","MoKα","","0.0436","0.0355","","","0.0744","0.0787","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017298","11.9869","0.0002","11.9869","0.0002","20.7309","0.0004","90","","90","","90","","2978.74","0.09","100","1","100","1","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C46 H56 Ca Cl8 N2 O20 Sn -","- C46 H52 Ca Cl8 N2 O20 Sn -","- C92 H104 Ca2 Cl16 N4 O40 Sn2 -","2","0.125","","Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard","Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12242","12247","10.1039/c1dt10962f","","","0.71073","MoKα","","0.0303","0.0287","","","0.0773","0.0783","","","","","","1.145","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017299","14.6483","0.0015","18.3958","0.0019","10.1403","0.0011","90","","93.376","0.007","90","","2727.7","0.5","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 N5 -","- C36 H25 N5 -","- C144 H100 N20 -","4","1","","Bhaumik, Chanchal; Das, Shyamal; Maity, Dinesh; Baitalik, Sujoy","A terpyridyl-imidazole (tpy-HImzPh(3)) based bifunctional receptor for multichannel detection of Fe(2+) and F(-) ions.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11795","11808","10.1039/c1dt10965k","","","0.71073","MoKα","","0.089","0.0491","","","0.1312","0.1617","","","","","","0.909","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017300","23.5948","0.0016","36.253","0.003","38.053","0.003","90","","90","","90","","32550","4","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C72 H50 Cl2 Fe N10 O8 -","- C72 H50 Cl2 Fe N10 O8 -","- C1152 H800 Cl32 Fe16 N160 O128 -","16","0.5","","Bhaumik, Chanchal; Das, Shyamal; Maity, Dinesh; Baitalik, Sujoy","A terpyridyl-imidazole (tpy-HImzPh(3)) based bifunctional receptor for multichannel detection of Fe(2+) and F(-) ions.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11795","11808","10.1039/c1dt10965k","","","0.71073","MoKα","","0.1048","0.0664","","","0.2009","0.2247","","","","","","0.99","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017301","9.881","0.001","9.4","0.001","15.024","0.002","90","","116.542","0.009","90","","1248.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Co0.5 N3 O6 V2 -","- C6 H16 Co0.5 N3 O6 V2 -","- C24 H64 Co2 N12 O24 V8 -","4","1","","Larrea, Edurne S.; Mesa, José L; Pizarro, José L; Iglesias, Marta; Rojo, Teófilo; Arriortua, María I","M(C(6)H(16)N(3))(2)(VO(3))(4) as heterogeneous catalysts. Study of three new hybrid vanadates of cobalt(ii), nickel(ii) and copper(ii) with 1-(2-aminoethyl)piperazonium.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12690","12698","10.1039/c1dt10971e","","","0.71073","MoKα","","0.0412","0.024","","","0.0379","0.0396","","","","","","0.944","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017302","9.763","0.001","9.295","0.001","15.1577","0.0018","90","","116.313","0.008","90","","1233","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cu0.5 N3 O6 V2 -","- C6 H16 Cu0.5 N3 O6 V2 -","- C24 H64 Cu2 N12 O24 V8 -","4","1","","Larrea, Edurne S.; Mesa, José L; Pizarro, José L; Iglesias, Marta; Rojo, Teófilo; Arriortua, María I","M(C(6)H(16)N(3))(2)(VO(3))(4) as heterogeneous catalysts. Study of three new hybrid vanadates of cobalt(ii), nickel(ii) and copper(ii) with 1-(2-aminoethyl)piperazonium.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12690","12698","10.1039/c1dt10971e","","","0.71073","MoKα","","0.0393","0.0284","","","0.0677","0.0709","","","","","","0.99","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017303","9.8481","0.0008","9.4424","0.0006","14.9648","0.0013","90","","116.516","0.006","90","","1245.19","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N3 Ni0.5 O6 V2 -","- C6 H16 N3 Ni0.5 O6 V2 -","- C24 H64 N12 Ni2 O24 V8 -","4","1","","Larrea, Edurne S.; Mesa, José L; Pizarro, José L; Iglesias, Marta; Rojo, Teófilo; Arriortua, María I","M(C(6)H(16)N(3))(2)(VO(3))(4) as heterogeneous catalysts. Study of three new hybrid vanadates of cobalt(ii), nickel(ii) and copper(ii) with 1-(2-aminoethyl)piperazonium.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12690","12698","10.1039/c1dt10971e","","","0.71073","MoKα","","0.0378","0.0245","","","0.0484","0.0506","","","","","","0.921","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017304","9.9372","0.0008","11.1773","0.0009","17.8036","0.0014","73.974","0.001","87.598","0.001","66.025","0.001","1731.1","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 N4 O2 Zn -","- C34 H52 N4 O2 Zn -","- C68 H104 N8 O4 Zn2 -","2","1","","Chen, Ming-Tsz; Chen, Chi-Tien","Structural and catalytic studies of zinc complexes containing amido-oxazolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12886","12894","10.1039/c1dt10974j","","","0.71073","MoKα","","0.0469","0.0395","","","0.1126","0.118","","","","","","1.023","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017305","11.169","0.0011","8.6171","0.0008","32.893","0.003","90","","94.65","0.002","90","","3155.3","0.5","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 N6 O2 Zn -","- C30 H44 N6 O2 Zn -","- C120 H176 N24 O8 Zn4 -","4","1","","Chen, Ming-Tsz; Chen, Chi-Tien","Structural and catalytic studies of zinc complexes containing amido-oxazolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12886","12894","10.1039/c1dt10974j","","","0.71073","MoKα","","0.0507","0.038","","","0.1037","0.1104","","","","","","1.005","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017306","14.5692","0.0011","15.4862","0.0012","17.1701","0.0013","90","","90","","90","","3873.9","0.5","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O S Zn -","- C20 H24 N2 O S Zn -","- C160 H192 N16 O8 S8 Zn8 -","8","1","","Chen, Ming-Tsz; Chen, Chi-Tien","Structural and catalytic studies of zinc complexes containing amido-oxazolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12886","12894","10.1039/c1dt10974j","","","0.71073","MoKα","","0.0809","0.0411","","","0.0987","0.1159","","","","","","0.933","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017307","11.0773","0.0007","16.3723","0.001","11.3458","0.0007","90","","99.059","0.001","90","","2032","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 N4 O4 Zn2 -","- C42 H52 N4 O4 Zn2 -","- C84 H104 N8 O8 Zn4 -","2","0.5","","Chen, Ming-Tsz; Chen, Chi-Tien","Structural and catalytic studies of zinc complexes containing amido-oxazolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12886","12894","10.1039/c1dt10974j","","","0.71073","MoKα","","0.0461","0.0315","","","0.0987","0.1077","","","","","","1.032","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017308","10.8346","0.0009","19.8535","0.0017","9.8078","0.0008","90","","103.536","0.002","90","","2051.1","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N4 O6 Zn2 -","- C42 H52 N4 O6 Zn2 -","- C84 H104 N8 O12 Zn4 -","2","0.5","","Chen, Ming-Tsz; Chen, Chi-Tien","Structural and catalytic studies of zinc complexes containing amido-oxazolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12886","12894","10.1039/c1dt10974j","","","0.71073","MoKα","","0.0459","0.034","","","0.0958","0.103","","","","","","1.014","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017309","9.3915","0.0004","7.385","0.0003","13.1072","0.0004","90","","109.658","0.002","90","","856.08","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H22 Cl2 Co N2 O -","- C14 H22 Cl2 Co N2 O -","- C28 H44 Cl4 Co2 N4 O2 -","2","1","","Singh Pannu, Ajay Pal; Kapoor, Pratibha; Hundal, Geeta; Kapoor, Ramesh; Corbella, Montserrat; Aliaga-Alcalde, Núria; Singh Hundal, Maninder","Magneto-structural studies of two new cobalt(ii)-N,N-diisobutylisonicotinamide compounds: [CoLCl(2)](n) and [Co(L)(2)(H(2)O)(4)][CoLBr(3)](2)·2H(2)O.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12560","12569","10.1039/c1dt10991j","","","1.54178","CuKα","","0.04","0.0396","","","0.0985","0.0986","","","","","","1.262","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017310","9.8031","0.0003","11.8076","0.0005","15.7629","0.0007","92.503","0.004","91.003","0.003","91.025","0.003","1822.23","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H100 Br6 Co3 N8 O10 -","- C56 H88 Br6 Co3 N8 O10 -","- C56 H88 Br6 Co3 N8 O10 -","1","0.5","","Singh Pannu, Ajay Pal; Kapoor, Pratibha; Hundal, Geeta; Kapoor, Ramesh; Corbella, Montserrat; Aliaga-Alcalde, Núria; Singh Hundal, Maninder","Magneto-structural studies of two new cobalt(ii)-N,N-diisobutylisonicotinamide compounds: [CoLCl(2)](n) and [Co(L)(2)(H(2)O)(4)][CoLBr(3)](2)·2H(2)O.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12560","12569","10.1039/c1dt10991j","","","0.7107","MoKα","","0.1531","0.1057","","","0.3458","0.3707","","","","","","1.332","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017311","11.0288","0.0005","12.1147","0.0005","14.1046","0.0005","85.585","0.002","80.224","0.002","71.235","0.003","1757.94","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H102 Ni9 O40 -","- C40 H102 Ni9 O40 -","- C40 H102 Ni9 O40 -","1","0.5","","Pons-Balagué, Alba; Ioanidis, Nicoleta; Wernsdorfer, Wolfgang; Yamaguchi, Akira; Sañudo, E Carolina","Microwave assisted synthesis and magnetic properties of octanuclear and enneanuclear Ni(ii) complexes: an unprecedented coordination mode for the NO(2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11765","11769","10.1039/c1dt10993f","","","0.71073","MoKα","","0.0549","0.0328","","","0.074","0.0837","","","","","","1.033","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017312","16.345","0.003","24.453","0.005","17.148","0.003","90","","103.52","0.03","90","","6664","2","100","0.1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H160 N12 Ni8 O36 -","- C114 H148 N12 Ni8 O36 -","- C228 H296 N24 Ni16 O72 -","2","0.5","","Pons-Balagué, Alba; Ioanidis, Nicoleta; Wernsdorfer, Wolfgang; Yamaguchi, Akira; Sañudo, E Carolina","Microwave assisted synthesis and magnetic properties of octanuclear and enneanuclear Ni(ii) complexes: an unprecedented coordination mode for the NO(2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11765","11769","10.1039/c1dt10993f","","","0.71073","MoKα","","0.1609","0.0833","","","0.2047","0.2594","","","","","","1.024","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017313","9.5771","0.001","22.075","0.002","13.9276","0.0015","90","","97.924","0.002","90","","2916.4","0.5","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 N8 O22 V6 -","- C54 H60 N8 O22 V6 -","- C108 H120 N16 O44 V12 -","2","0.5","","Marino, Nadia; Lloret, Francisco; Julve, Miguel; Doyle, Robert P.","Synthetically persistent, self assembled [V(IV)(2)V(V)(4)] polyoxovanadates: Facile synthesis, structure and magnetic analysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12248","12256","10.1039/c1dt11004g","","","0.71073","MoKα","","0.0368","0.0306","","","0.0822","0.0864","","","","","","1.056","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017314","9.8178","0.0007","17.4725","0.0012","15.6874","0.0011","90","","106.122","0.001","90","","2585.2","0.3","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 N8 O18 V6 -","- C46 H52 N8 O18 V6 -","- C92 H104 N16 O36 V12 -","2","0.5","","Marino, Nadia; Lloret, Francisco; Julve, Miguel; Doyle, Robert P.","Synthetically persistent, self assembled [V(IV)(2)V(V)(4)] polyoxovanadates: Facile synthesis, structure and magnetic analysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12248","12256","10.1039/c1dt11004g","","","0.71073","MoKα","","0.0495","0.0393","","","0.1006","0.1067","","","","","","1.042","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017315","9.708","0.002","11.614","0.003","14.477","0.004","99.471","0.004","104.719","0.004","102.425","0.003","1499.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H66 Cu2 N4 O19 P4 -","- C42 H66 Cu2 N4 O19 P4 -","- C42 H66 Cu2 N4 O19 P4 -","1","0.5","","Wang, Qingming; Zhu, Miaoli; Lu, Liping; Yuan, Caixia; Xing, Shu; Fu, Xueqi","Potent inhibition of protein tyrosine phosphatases by quinquedentate binuclear copper complexes: synthesis, characterization and biological activities.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12926","12934","10.1039/c1dt11006c","","","0.71073","MoKα","","0.1551","0.0818","","","0.2002","0.2503","","","","","","1.018","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017316","8.0516","0.0013","27.17","0.006","13.159","0.002","90","","96.239","0.013","90","","2861.6","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu F6 N4 P -","- C32 H24 Cu F6 N4 P -","- C128 H96 Cu4 F24 N16 P4 -","4","0.5","","Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","The intramolecular aryl embrace: from light emission to light absorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12584","12594","10.1039/c1dt11052g","","","0.71073","MoKα","","0.039","0.0358","","","0.0944","0.0967","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017317","7.7042","0.0008","10.2596","0.0011","15.3283","0.0014","107.978","0.008","97.393","0.008","100.067","0.008","1112.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Cu F6 N4 P -","- C22 H20 Cu F6 N4 P -","- C44 H40 Cu2 F12 N8 P2 -","2","1","","Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","The intramolecular aryl embrace: from light emission to light absorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12584","12594","10.1039/c1dt11052g","","","0.71073","MoKα","","0.0428","0.0414","","","0.1117","0.113","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017318","11.6298","0.0005","8.6881","0.0003","13.7113","0.0006","90","","107.915","0.002","90","","1318.23","0.09","123","","123","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H20 Cu F6 N4 O2 P -","- C28 H20 Cu F6 N4 O2 P -","- C56 H40 Cu2 F12 N8 O4 P2 -","2","0.5","","Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","The intramolecular aryl embrace: from light emission to light absorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12584","12594","10.1039/c1dt11052g","","","0.71073","MoKα","","0.047","0.0394","","0.0613","0.0354","0.0336","","","","","","0.9996","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017319","10.715","0.005","19.191","0.008","5.731","0.003","90","","90","","90","","1178.5","1","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 Se -","- C14 H10 N2 Se -","- C56 H40 N8 Se4 -","4","1","","Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","The intramolecular aryl embrace: from light emission to light absorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12584","12594","10.1039/c1dt11052g","","","0.71073","MoKα","","0.0774","0.0458","","0.0805","0.0421","0.042","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017320","7.1898","0.0002","14.0902","0.0003","14.6598","0.0004","103.27","0.002","99.206","0.002","98.373","0.002","1400.92","0.07","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H20 Cu F6 N4 P S2 -","- C28 H20 Cu F6 N4 P S2 -","- C56 H40 Cu2 F12 N8 P2 S4 -","2","1","","Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","The intramolecular aryl embrace: from light emission to light absorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12584","12594","10.1039/c1dt11052g","","","0.71073","MoKα","","0.077","0.0434","","0.0696","0.0403","0.0389","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017321","15.5702","0.0006","12.5528","0.0005","15.1905","0.0006","90","","102.575","0.002","90","","2897.8","0.2","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cu F6 N6 P -","- C30 H26 Cu F6 N6 P -","- C120 H104 Cu4 F24 N24 P4 -","4","0.5","","Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","The intramolecular aryl embrace: from light emission to light absorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12584","12594","10.1039/c1dt11052g","","","0.71073","MoKα","","0.0345","0.0319","","0.0466","0.0339","0.0327","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017322","8.9873","0.0007","10.3479","0.0007","12.9086","0.001","98.4","0.004","99.933","0.004","90.639","0.004","1169","0.15","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","2","","Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","The intramolecular aryl embrace: from light emission to light absorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12584","12594","10.1039/c1dt11052g","","","0.71073","MoKα","","0.0923","0.0832","","0.1079","0.0787","0.0748","","","","","","0.9314","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017323","10.57","0.007","12.917","0.008","13.155","0.011","86.77","0.03","72.56","0.03","79.8","0.02","1686","2","296.1","","296.1","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 As Cl F6 Fe N9 -","- C24 H39 As Cl F6 Fe N9 -","- C48 H78 As2 Cl2 F12 Fe2 N18 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Matsumoto, Naohide; Iijima, Seiichiro; Halcrow, Malcolm A.; Sunatsuki, Yukinari; Kojima, Masaaki","1D and 2D assembly structures by imidazolechloride hydrogen bonds of iron(ii) complexes [Fe(II)(HL(n-Pr))(3)]Cl·Y (HL(n-Pr) = 2-methylimidazol-4-yl-methylideneamino-n-propyl; Y = AsF(6), BF(4)) and their spin states.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12301","12309","10.1039/c1dt11063b","","","0.71075","MoKα","","","0.0852","","","","0.2319","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017324","10.369","0.002","12.897","0.002","12.941","0.002","85.38","0.014","69.34","0.016","76.59","0.016","1575.1","0.5","110.1","","110.1","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 As Cl F6 Fe N9 -","- C24 H39 As Cl F6 Fe N9 -","- C48 H78 As2 Cl2 F12 Fe2 N18 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Matsumoto, Naohide; Iijima, Seiichiro; Halcrow, Malcolm A.; Sunatsuki, Yukinari; Kojima, Masaaki","1D and 2D assembly structures by imidazolechloride hydrogen bonds of iron(ii) complexes [Fe(II)(HL(n-Pr))(3)]Cl·Y (HL(n-Pr) = 2-methylimidazol-4-yl-methylideneamino-n-propyl; Y = AsF(6), BF(4)) and their spin states.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12301","12309","10.1039/c1dt11063b","","","0.71075","MoKα","","","0.0992","","","","0.3053","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017325","10.699","0.004","10.699","0.004","47.49","0.02","90","","90","","120","","4708","3","296","","296","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C24 H39 B Cl F4 Fe N9 -","- C24 H39 B Cl F4 Fe N9 -","- C144 H234 B6 Cl6 F24 Fe6 N54 -","6","0.333333","","Fujinami, Takeshi; Nishi, Koshiro; Matsumoto, Naohide; Iijima, Seiichiro; Halcrow, Malcolm A.; Sunatsuki, Yukinari; Kojima, Masaaki","1D and 2D assembly structures by imidazolechloride hydrogen bonds of iron(ii) complexes [Fe(II)(HL(n-Pr))(3)]Cl·Y (HL(n-Pr) = 2-methylimidazol-4-yl-methylideneamino-n-propyl; Y = AsF(6), BF(4)) and their spin states.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12301","12309","10.1039/c1dt11063b","","","0.71075","MoKα","","","0.0349","","","","0.1024","","","","","","1","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017326","12.9548","0.0007","11.2634","0.0006","14.4557","0.0007","90","","100.072","0.003","90","","2076.8","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 B10 Br -","- C16 H23 B10 Br -","- C64 H92 B40 Br4 -","4","1","","Lee, Kang Mun; Huh, Jung Oh; Kim, Taewon; Do, Youngkyu; Lee, Min Hyung","A highly Lewis acidic triarylborane bearing peripheral o-carborane cages.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11758","11764","10.1039/c1dt11064k","","","0.71073","MoKα","","0.0454","0.0325","","","0.0917","0.1002","","","","","","1.001","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017327","19.882","0.002","14.7429","0.0016","23.618","0.003","90","","111.808","0.006","90","","6427.4","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H71 B31 Cl2 -","- C49 H71 B31 Cl2 -","- C196 H284 B124 Cl8 -","4","1","","Lee, Kang Mun; Huh, Jung Oh; Kim, Taewon; Do, Youngkyu; Lee, Min Hyung","A highly Lewis acidic triarylborane bearing peripheral o-carborane cages.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11758","11764","10.1039/c1dt11064k","","","0.71073","MoKα","","0.12","0.0794","","","0.233","0.2606","","","","","","1.042","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017328","7.2227","0.0007","26.181","0.002","14.2067","0.0012","90","","106.151","0.004","90","","2580.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Co N4 O4 -","- C12 H10 Co N4 O4 -","- C96 H80 Co8 N32 O32 -","8","2","","Zhang, Xiu-Mei; Wang, Kun; Wang, Yan-Qin; Gao, En-Qing","Isomorphous Co(ii) and Ni(ii) antiferromagnets based on mixed azide- and carboxylate-bridged chains: metamagnetism and single-chain dynamics.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12742","12749","10.1039/c1dt11068c","","","0.71073","MoKα","","0.0533","0.0348","","","0.0766","0.0856","","","","","","1.047","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017329","13.403","0.003","14.09","0.003","12.618","0.003","90","","98.67","0.03","90","","2355.7","0.9","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H32 Cl N3 O Pd -","- C24 H32 Cl N3 O Pd -","- C96 H128 Cl4 N12 O4 Pd4 -","4","1","","Zhang, Wenjuan; Wang, Youhong; Yu, Jiangang; Redshaw, Carl; Hao, Xiang; Sun, Wen-Hua","2-(N-Alkylcarboxamide)-6-iminopyridyl palladium and nickel complexes: coordination chemistry and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12856","12865","10.1039/c1dt11079a","","","0.71073","MoKα","","0.0389","0.0365","","","0.0941","0.1087","","","","","","1.076","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017330","9.833","0.002","10.801","0.002","11.479","0.002","117.58","0.03","94.67","0.03","90.15","0.03","1075.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 Br Cl N3 O Pd -","- C20 H23 Br Cl N3 O Pd -","- C40 H46 Br2 Cl2 N6 O2 Pd2 -","2","1","","Zhang, Wenjuan; Wang, Youhong; Yu, Jiangang; Redshaw, Carl; Hao, Xiang; Sun, Wen-Hua","2-(N-Alkylcarboxamide)-6-iminopyridyl palladium and nickel complexes: coordination chemistry and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12856","12865","10.1039/c1dt11079a","","","0.71073","MoKα","","0.048","0.0364","","","0.0987","0.1089","","","","","","1.083","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017331","31.28","0.004","31.28","0.004","14.424","0.003","90","","90","","120","","12222","3","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C26 H36 Cl N3 O Pd -","- C26 H36 Cl N3 O Pd -","- C468 H648 Cl18 N54 O18 Pd18 -","18","1","","Zhang, Wenjuan; Wang, Youhong; Yu, Jiangang; Redshaw, Carl; Hao, Xiang; Sun, Wen-Hua","2-(N-Alkylcarboxamide)-6-iminopyridyl palladium and nickel complexes: coordination chemistry and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12856","12865","10.1039/c1dt11079a","","","0.71073","MoKα","","0.0462","0.0334","","","0.0912","0.0941","","","","","","0.894","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017332","10.797","0.002","16.923","0.003","13.86","0.003","90","","92.19","0.03","90","","2530.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Cl2 N3 Ni O -","- C24 H33 Cl2 N3 Ni O -","- C96 H132 Cl8 N12 Ni4 O4 -","4","1","","Zhang, Wenjuan; Wang, Youhong; Yu, Jiangang; Redshaw, Carl; Hao, Xiang; Sun, Wen-Hua","2-(N-Alkylcarboxamide)-6-iminopyridyl palladium and nickel complexes: coordination chemistry and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12856","12865","10.1039/c1dt11079a","","","0.71073","MoKα","","0.1328","0.0679","","","0.1514","0.1743","","","","","","0.913","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017333","13.574","0.006","17.728","0.007","15.65","0.007","90","","109.81","0.02","90","","3543","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31.74 H50.34 Cl2 N3 Ni O1.93 -","- C31.724 H50.31 Cl2 N3 Ni O1.931 -","- C126.896 H201.24 Cl8 N12 Ni4 O7.724 -","4","1","","Zhang, Wenjuan; Wang, Youhong; Yu, Jiangang; Redshaw, Carl; Hao, Xiang; Sun, Wen-Hua","2-(N-Alkylcarboxamide)-6-iminopyridyl palladium and nickel complexes: coordination chemistry and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12856","12865","10.1039/c1dt11079a","","","0.71073","MoKα","","0.1328","0.074","","","0.1865","0.2193","","","","","","0.923","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017334","14.325","0.003","11.604","0.002","20.709","0.007","90","","125.93","0.02","90","","2787.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B F4 N4 O Pd -","- C26 H32 B F4 N4 O Pd -","- C104 H128 B4 F16 N16 O4 Pd4 -","4","1","","Zhang, Wenjuan; Wang, Youhong; Yu, Jiangang; Redshaw, Carl; Hao, Xiang; Sun, Wen-Hua","2-(N-Alkylcarboxamide)-6-iminopyridyl palladium and nickel complexes: coordination chemistry and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12856","12865","10.1039/c1dt11079a","","","0.71073","MoKα","","0.0729","0.0639","","","0.1323","0.1377","","","","","","1.121","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017335","11.002","0.002","6.5944","0.0013","16.235","0.003","90","","90","","90","","1177.9","0.4","293.1","","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H5 Co2 N7 O5 -","- C7 H5 Co2 N7 O5 -","- C28 H20 Co8 N28 O20 -","4","0.5","","Song, Wei-Chao; Tao, Jun; Hu, Tong-Liang; Zeng, Yong-Fei; Bu, Xian-He","Isomorphous tetrazolate Mn(II) and Co(II) compounds built on Δ-chain showing different magnetic behaviors.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11955","11959","10.1039/c1dt11099c","","","0.71073","MoKα","","0.077","0.0493","","","0.0968","0.1051","","","","","","1.151","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017336","11.085","0.002","6.8516","0.0014","16.646","0.003","90","","90","","90","","1264.3","0.4","293.1","","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H5 Mn2 N7 O5 -","- C7 H5 Mn2 N7 O5 -","- C28 H20 Mn8 N28 O20 -","4","0.5","","Song, Wei-Chao; Tao, Jun; Hu, Tong-Liang; Zeng, Yong-Fei; Bu, Xian-He","Isomorphous tetrazolate Mn(II) and Co(II) compounds built on Δ-chain showing different magnetic behaviors.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11955","11959","10.1039/c1dt11099c","","","0.71073","MoKα","","0.0479","0.0408","","","0.0812","0.084","","","","","","1.116","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017337","20.8487","0.0012","19.1791","0.0011","12.9275","0.0007","90","","96.567","0.003","90","","5135.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H45 Cl2 Co Fe2 N7 O9 -","- C54 H38 Cl2 Co Fe2 N7 O9 -","- C216 H152 Cl8 Co4 Fe8 N28 O36 -","4","0.5","","Maity, Basudev; Gadadhar, Sudarshan; Goswami, Tridib K.; Karande, Anjali A.; Chakravarty, Akhil R.","Impact of metal on the DNA photocleavage activity and cytotoxicity of ferrocenyl terpyridine 3d metal complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11904","11913","10.1039/c1dt11102g","","","0.71073","MoKα","","0.1615","0.0676","","","0.1793","0.2281","","","","","","1.015","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017338","20.804","0.002","19.191","0.002","13.0849","0.0012","90","","96.236","0.008","90","","5193.2","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Cl2 Fe2 N8 O8 Zn -","- C54 H38 Cl2 Fe2 N8 O8 Zn -","- C216 H152 Cl8 Fe8 N32 O32 Zn4 -","4","0.5","","Maity, Basudev; Gadadhar, Sudarshan; Goswami, Tridib K.; Karande, Anjali A.; Chakravarty, Akhil R.","Impact of metal on the DNA photocleavage activity and cytotoxicity of ferrocenyl terpyridine 3d metal complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11904","11913","10.1039/c1dt11102g","","","0.71073","MoKα","","0.1657","0.0832","","","0.2283","0.2806","","","","","","1.009","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017339","9.5145","0.0003","12.8131","0.0005","31.5604","0.0012","90","","97.368","0.002","90","","3815.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Cl2 N6 O8 Zn -","- C42 H30 Cl2 N6 O8 Zn -","- C168 H120 Cl8 N24 O32 Zn4 -","4","1","","Maity, Basudev; Gadadhar, Sudarshan; Goswami, Tridib K.; Karande, Anjali A.; Chakravarty, Akhil R.","Impact of metal on the DNA photocleavage activity and cytotoxicity of ferrocenyl terpyridine 3d metal complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11904","11913","10.1039/c1dt11102g","","","0.71073","MoKα","","0.1007","0.0642","","","0.1766","0.2005","","","","","","1.045","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017340","21.776","0.002","11.5108","0.0011","19.0161","0.0018","90","","90","","90","","4766.6","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C46 H46 F12 Fe2 N6 P2 Zn -","- C46 H46 F12 Fe2 N6 P2 Zn -","- C184 H184 F48 Fe8 N24 P8 Zn4 -","4","0.5","","Maity, Basudev; Gadadhar, Sudarshan; Goswami, Tridib K.; Karande, Anjali A.; Chakravarty, Akhil R.","Impact of metal on the DNA photocleavage activity and cytotoxicity of ferrocenyl terpyridine 3d metal complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11904","11913","10.1039/c1dt11102g","","","0.71073","MoKα","","0.142","0.0716","","","0.17","0.2071","","","","","","1.021","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017341","11.69","0.002","12.287","0.002","13.601","0.002","90","","93.493","0.004","90","","1950","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 Cl3 I3 N3 P -","- C32 H40 Cl3 I3 N3 P -","- C64 H80 Cl6 I6 N6 P2 -","2","1","","Martin, Caleb D.; Ragogna, Paul J.","Substitution matters: isolating phosphorus diiminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11976","11980","10.1039/c1dt11111f","","","0.71073","MoKα","","0.0802","0.05","","","0.1166","0.1399","","","","","","1.056","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017342","18.3065","0.0006","17.402","0.0006","25.0012","0.0009","90","","92.756","0.001","90","","7955.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H39 B6 Cl6 N3 P -","- C31 H39 B6 Cl6 N3 P -","- C248 H312 B48 Cl48 N24 P8 -","8","1","","Martin, Caleb D.; Ragogna, Paul J.","Substitution matters: isolating phosphorus diiminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11976","11980","10.1039/c1dt11111f","","","0.71073","MoKα","","0.0802","0.0416","","","0.0788","0.0936","","","","","","1.051","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017343","17.049","0.003","13.12","0.003","17.259","0.004","90","","119.39","0.03","90","","3363.7","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Br Cl2 N3 P -","- C32 H39 Br Cl2 N3 P -","- C128 H156 Br4 Cl8 N12 P4 -","4","1","","Martin, Caleb D.; Ragogna, Paul J.","Substitution matters: isolating phosphorus diiminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11976","11980","10.1039/c1dt11111f","","","0.71073","MoKα","","0.0944","0.0606","","","0.1691","0.2018","","","","","","1.07","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017344","24.522","0.002","8.6258","0.0008","21.669","0.002","90","","113.291","0.002","90","","4210","0.7","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C43 H47 I3 N3 P -","- C43 H47 I3 N3 P -","- C172 H188 I12 N12 P4 -","4","1","","Martin, Caleb D.; Ragogna, Paul J.","Substitution matters: isolating phosphorus diiminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11976","11980","10.1039/c1dt11111f","","","0.71073","MoKα","","0.1037","0.0707","","","0.1572","0.1703","","","","","","1.149","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017345","28.6227","0.0009","21.775","0.0007","8.285","0.0003","90","","90","","90","","5163.7","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C102 H84 Fe4 N24 O15 -","- C102 H84 Fe4 N24 O15 -","- C204 H168 Fe8 N48 O30 -","2","0.25","","Herchel, Radovan; Pavelek, Lubomír; Trávníček, Zdeněk","Dinuclear and 1D iron(iii) Schiff base complexes bridged by 4-salicylideneamino-1,2,4-triazolate: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11896","11903","10.1039/c1dt11127b","","","0.71073","MoKα","","0.0659","0.0479","","","0.1611","0.1686","","","","","","1.062","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017346","8.1712","0.0003","11.495","0.0003","13.7935","0.0004","101.421","0.002","106.585","0.003","104.783","0.003","1148.17","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 Fe2 N12 O6 -","- C52 H46 Fe2 N12 O6 -","- C52 H46 Fe2 N12 O6 -","1","0.5","","Herchel, Radovan; Pavelek, Lubomír; Trávníček, Zdeněk","Dinuclear and 1D iron(iii) Schiff base complexes bridged by 4-salicylideneamino-1,2,4-triazolate: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11896","11903","10.1039/c1dt11127b","","","0.71073","MoKα","","0.0574","0.0475","","","0.1253","0.129","","","","","","1.064","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017347","9.4571","0.0002","16.3096","0.0004","17.6369","0.0005","90","","103.704","0.003","90","","2642.9","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Fe N6 O4 -","- C30 H31 Fe N6 O4 -","- C120 H124 Fe4 N24 O16 -","4","1","","Herchel, Radovan; Pavelek, Lubomír; Trávníček, Zdeněk","Dinuclear and 1D iron(iii) Schiff base complexes bridged by 4-salicylideneamino-1,2,4-triazolate: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11896","11903","10.1039/c1dt11127b","","","0.71073","MoKα","","0.0455","0.0339","","","0.0901","0.0931","","","","","","1.075","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017348","11.1674","0.0004","15.1874","0.0005","16.4075","0.0006","90","","105.39","0.004","90","","2682.99","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Fe N6 O4 -","- C30 H25 Fe N6 O4 -","- C120 H100 Fe4 N24 O16 -","4","1","","Herchel, Radovan; Pavelek, Lubomír; Trávníček, Zdeněk","Dinuclear and 1D iron(iii) Schiff base complexes bridged by 4-salicylideneamino-1,2,4-triazolate: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11896","11903","10.1039/c1dt11127b","","","0.71073","MoKα","","0.0554","0.0356","","","0.082","0.0855","","","","","","0.934","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017349","26.9695","0.0015","14.7086","0.0008","9.9706","0.0006","90","","98.081","0.001","90","","3915.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 Cu N4 O10 -","- C46 H32 Cu N4 O10 -","- C184 H128 Cu4 N16 O40 -","4","1","","Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng","Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11856","11865","10.1039/c1dt11130b","","","0.71073","MoKα","","0.0921","0.0474","","","0.0998","0.11","","","","","","0.846","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017350","9.8501","0.0012","18.1491","0.0018","15.1858","0.0014","90","","90","","90","","2714.8","0.5","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H22 Cu N4 O5 -","- C32 H22 Cu N4 O5 -","- C128 H88 Cu4 N16 O20 -","4","0.5","","Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng","Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11856","11865","10.1039/c1dt11130b","","","0.71073","MoKα","","0.072","0.0478","","","0.1161","0.128","","","","","","1.043","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017351","18.167","0.004","26.668","0.005","12.453","0.003","90","","90","","90","","6033","2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C64 H44 N8 O10 Zn2 -","- C64 H44 N8 O10 Zn2 -","- C256 H176 N32 O40 Zn8 -","4","1","","Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng","Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11856","11865","10.1039/c1dt11130b","","","0.71073","MoKα","","0.0815","0.0682","","","0.1449","0.1541","","","","","","1.072","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017352","16.292","0.004","30.712","0.008","51.727","0.014","90","","90","","90","","25882","12","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C68 H50 N8 Ni3 O20 -","- C68 H50 N8 Ni3 O20 -","- C1088 H800 N128 Ni48 O320 -","16","0.5","","Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng","Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11856","11865","10.1039/c1dt11130b","","","0.71073","MoKα","","0.07","0.0517","","","0.1369","0.1444","","","","","","1.059","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017353","8.9784","0.0018","15.352","0.003","27.656","0.006","90","","97.26","0.03","90","","3781.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H78 N16 Ni2 O19 -","- C76 H78 N16 Ni2 O19 -","- C152 H156 N32 Ni4 O38 -","2","0.5","","Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng","Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11856","11865","10.1039/c1dt11130b","","","0.71073","MoKα","","0.1561","0.1312","","","0.1891","0.1974","","","","","","1.384","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017354","28.498","0.003","11.7312","0.0011","12.4676","0.0012","90","","95.487","0.002","90","","4149","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 Cd N4 O17 -","- C50 H34 Cd N4 O17 -","- C200 H136 Cd4 N16 O68 -","4","0.5","","Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng","Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11856","11865","10.1039/c1dt11130b","","","0.71073","MoKα","","0.057","0.045","","","0.0868","0.0909","","","","","","0.972","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017355","8.5052","0.0002","14.6432","0.0004","16.3909","0.0004","111.471","0.0014","94.313","0.0014","90.4943","0.0013","1892.9","0.08","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H47 N3 O2 P Re -","- C44 H47 N3 O2 P Re -","- C88 H94 N6 O4 P2 Re2 -","2","1","","Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Synthesis and characterization of oxorhenium(v) diamido pyridine complexes that catalyze oxygen atom transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11815","11821","10.1039/c1dt11143d","","","0.71073","MoKα","","0.0425","0.0315","","","0.0641","0.0679","","","","","","1.037","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017356","9.6153","0.0005","11.9246","0.0006","12.6634","0.0006","63.761","0.002","73.053","0.002","81.327","0.002","1245.39","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H30 Cl2 N3 O Re -","- C25.5 H30 Cl2 N3 O Re -","- C51 H60 Cl4 N6 O2 Re2 -","2","1","","Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Synthesis and characterization of oxorhenium(v) diamido pyridine complexes that catalyze oxygen atom transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11815","11821","10.1039/c1dt11143d","","","0.71073","MoKα","","0.0311","0.0255","","","0.0555","0.0569","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017357","15.9434","0.0013","13.1771","0.001","11.4807","0.0009","90","","92.956","0.004","90","","2408.7","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N3 O3 Re -","- C25 H28 N3 O3 Re -","- C100 H112 N12 O12 Re4 -","4","1","","Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Synthesis and characterization of oxorhenium(v) diamido pyridine complexes that catalyze oxygen atom transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11815","11821","10.1039/c1dt11143d","","","0.71073","MoKα","","0.084","0.0414","","","0.0805","0.0924","","","","","","1.007","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017358","13.273","","5.825","","15.492","","90","","120.49","","90","","1032.14","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O4 -","- C22 H32 N2 O4 -","- C44 H64 N4 O8 -","2","0.5","","Botana, Luis; Ruiz, José; Seco, José Manuel; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Sillanpää, Reijo; Colacio, Enrique","Influence of the anions on the structure and magnetic properties of a series of bis(μ-diphenoxo)-bridged linear trinuclear copper(II) complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12462","12471","10.1039/c1dt11158b","","","0.71073","MoKα","","0.1239","0.0583","","","0.1298","0.1654","","","","","","1.028","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017359","10.468","0.005","17.721","0.005","15.264","0.005","90","0.005","106.495","0.005","90","0.005","2715","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 B2 Cu3 F8 N4 O12 -","- C46 H72 B2 Cu3 F8 N4 O12 -","- C92 H144 B4 Cu6 F16 N8 O24 -","2","0.5","","Botana, Luis; Ruiz, José; Seco, José Manuel; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Sillanpää, Reijo; Colacio, Enrique","Influence of the anions on the structure and magnetic properties of a series of bis(μ-diphenoxo)-bridged linear trinuclear copper(II) complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12462","12471","10.1039/c1dt11158b","","","0.71069","MoKα","","0.068","0.048","","","0.1329","0.1479","","","","","","1.106","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017360","10.541","0.005","17.593","0.005","15.446","0.005","90","0.005","106.515","0.005","90","0.005","2746.3","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 Cl2 Cu3 N4 O20 -","- C46 H72 Cl2 Cu3 N4 O20 -","- C92 H144 Cl4 Cu6 N8 O40 -","2","0.5","","Botana, Luis; Ruiz, José; Seco, José Manuel; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Sillanpää, Reijo; Colacio, Enrique","Influence of the anions on the structure and magnetic properties of a series of bis(μ-diphenoxo)-bridged linear trinuclear copper(II) complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12462","12471","10.1039/c1dt11158b","","","0.71069","MoKα","","0.1424","0.0647","","","0.1419","0.1837","","","","","","0.998","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017361","10.609","0.005","16.506","0.005","16.759","0.005","90","","114.714","0.019","90","","2665.9","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 Br6 Cu3 N4 O10 -","- C44 H64 Br6 Cu3 N4 O10 -","- C88 H128 Br12 Cu6 N8 O20 -","2","0.5","","Botana, Luis; Ruiz, José; Seco, José Manuel; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Sillanpää, Reijo; Colacio, Enrique","Influence of the anions on the structure and magnetic properties of a series of bis(μ-diphenoxo)-bridged linear trinuclear copper(II) complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12462","12471","10.1039/c1dt11158b","","","0.71069","MoKα","","0.1417","0.0738","","","0.1927","0.2354","","","","","","1.032","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017362","8.264","0.005","22.967","0.005","14.42","0.005","90","0.005","92.331","0.005","90","0.005","2735","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Cu3 N6 O20 -","- C44 H72 Cu3 N6 O20 -","- C88 H144 Cu6 N12 O40 -","2","0.5","","Botana, Luis; Ruiz, José; Seco, José Manuel; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Sillanpää, Reijo; Colacio, Enrique","Influence of the anions on the structure and magnetic properties of a series of bis(μ-diphenoxo)-bridged linear trinuclear copper(II) complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12462","12471","10.1039/c1dt11158b","","","0.71069","MoKα","","0.1161","0.0596","","","0.1365","0.164","","","","","","0.991","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017363","20.2216","0.0005","23.6482","0.0006","14.7377","0.0003","90","","94.256","0.002","90","","7028.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H106 Cl2 Cu3 N6 O35 -","- C54 H72 Cu3 N6 O10 -","- C216 H288 Cu12 N24 O40 -","4","0.5","","Botana, Luis; Ruiz, José; Seco, José Manuel; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Sillanpää, Reijo; Colacio, Enrique","Influence of the anions on the structure and magnetic properties of a series of bis(μ-diphenoxo)-bridged linear trinuclear copper(II) complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12462","12471","10.1039/c1dt11158b","","","0.71073","MoKα","","0.0506","0.041","","","0.1441","0.1489","","","","","","1.102","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017364","21.657","0.0005","10.5169","0.0002","15.1507","0.0003","90","","105.478","0.001","90","","3325.64","0.12","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ir(4-pe-2-ppy)~2~(acac)","","","- C43 H31 Ir N2 O2 -","- C43 H31 Ir N2 O2 -","- C172 H124 Ir4 N8 O8 -","4","0.5","","Edkins, Robert M.; Bettington, Sylvia L.; Goeta, Andrés E; Beeby, Andrew","Two-photon spectroscopy of cyclometalated iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12765","12770","10.1039/c1dt11164g","","","0.71073","MoKα","","0.0375","0.0283","","","0.0591","0.0621","","","","","","1.04","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017365","9.3675","0.0005","10.44","0.0006","19.5297","0.0011","94.671","0.004","92.962","0.004","110.626","0.003","1774.95","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H37 N11 O7 S3 -","- C30 H37 N11 O7 S3 -","- C60 H74 N22 O14 S6 -","2","1","","Dey, Sandeep Kumar; Das, Gopal","Encapsulation of trivalent phosphate anion within a rigidified π-stacked dimeric capsular assembly of tripodal receptor.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12048","12051","10.1039/c1dt11195g","","","0.71073","MoKα","","0.1576","0.089","","","0.2071","0.2445","","","","","","1.061","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017366","13.0874","0.0004","13.132","0.0004","35.75","0.0011","79.965","0.002","86.542","0.003","60.285","0.002","5252.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H69 F N12 O6 S3 -","- C45 H69 F N12 O6 S3 -","- C180 H276 F4 N48 O24 S12 -","4","2","","Dey, Sandeep Kumar; Das, Gopal","Encapsulation of trivalent phosphate anion within a rigidified π-stacked dimeric capsular assembly of tripodal receptor.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12048","12051","10.1039/c1dt11195g","","","0.71073","MoKα","","0.1979","0.0875","","","0.2076","0.2466","","","","","","1.061","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017367","13.584","0.0007","16.0821","0.0008","28.9547","0.0015","103.421","0.004","93.523","0.005","92.808","0.004","6128","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H174 N25 O16 P S6 -","- C106 H174 N25 O16 P S6 -","- C212 H348 N50 O32 P2 S12 -","2","1","","Dey, Sandeep Kumar; Das, Gopal","Encapsulation of trivalent phosphate anion within a rigidified π-stacked dimeric capsular assembly of tripodal receptor.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12048","12051","10.1039/c1dt11195g","","","0.71073","MoKα","","0.2051","0.086","","","0.2158","0.2499","","","","","","1.067","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017368","16.2994","0.0017","14.9184","0.0015","23.741","0.002","90","","98.941","0.0004","90","","5702.7","1","113.1","","113.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 N2 O P4 S2 W -","- C66 H64 N2 O P4 S2 W -","- C264 H256 N8 O4 P16 S8 W4 -","4","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Transformations of aryl isothiocyanates on tetraphosphine tungsten complexes and reactivity of the resulting dithiocarbonimidate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11822","11830","10.1039/c1dt11201e","","","0.7107","MoKα","","","0.0295","","","","0.0959","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017369","19.16","0.002","21.884","0.002","24.197","0.003","81.904","0.004","88.235","0.004","69.704","0.003","9419.2","1.8","113.1","","113.1","","","","","","","","","7","P -1","-P 1","2","","","","- C62.25 H54.5 Cl6.5 N2 P4 S2 W -","- C62.25 H49.3333 Cl6.5 N2 P4 S2 W -","- C373.5 H296 Cl39 N12 P24 S12 W6 -","6","3","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Transformations of aryl isothiocyanates on tetraphosphine tungsten complexes and reactivity of the resulting dithiocarbonimidate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11822","11830","10.1039/c1dt11201e","","","0.7107","MoKα","","","0.0657","","","","0.1927","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017370","11.907","0.002","15.051","0.002","19.189","0.003","77.147","0.005","89.331","0.005","76.838","0.005","3261.9","0.9","113.1","","113.1","","","","","","","","","9","P -1","-P 1","2","","","","- C70 H77 B F4 N2 O2 P4 S2 W -","- C70 H77 B F4 N2 O2 P4 S2 W -","- C140 H154 B2 F8 N4 O4 P8 S4 W2 -","2","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Transformations of aryl isothiocyanates on tetraphosphine tungsten complexes and reactivity of the resulting dithiocarbonimidate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11822","11830","10.1039/c1dt11201e","","","0.7107","MoKα","","","0.04","","","","0.1145","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017371","17.357","0.003","11.468","0.002","32.634","0.006","90","","104.098","0.0007","90","","6300.2","1.9","113.1","","113.1","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H63 Cl4 I N2 P4 S2 W -","- C65 H59 Cl4 I N2 P4 S2 W -","- C260 H236 Cl16 I4 N8 P16 S8 W4 -","4","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Transformations of aryl isothiocyanates on tetraphosphine tungsten complexes and reactivity of the resulting dithiocarbonimidate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11822","11830","10.1039/c1dt11201e","","","0.7107","MoKα","","","0.0556","","","","0.1541","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017372","14.372","0.002","25.725","0.004","16.962","0.003","90","","91.4789","0.0009","90","","6269.1","1.7","113.1","","113.1","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H63 Cl3 N2 O P4 S2 W -","- C70 H63 Cl3 N2 O P4 S2 W -","- C280 H252 Cl12 N8 O4 P16 S8 W4 -","4","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Transformations of aryl isothiocyanates on tetraphosphine tungsten complexes and reactivity of the resulting dithiocarbonimidate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11822","11830","10.1039/c1dt11201e","","","0.7107","MoKα","","","0.0372","","","","0.0816","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017373","5.653","0.0016","13.404","0.004","19.2441","0.0018","90","","102.459","0.005","90","","1423.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 K N4 O7 -","- C11 H9 K N4 O7 -","- C44 H36 K4 N16 O28 -","4","1","","Kopylovich, Maximilian N.; Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Kirillov, Alexander M.; Pombeiro, Armando J. L.","Unusual shift of a nitro group in a phenylhydrazo-β-diketone.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12472","12478","10.1039/c1dt11209k","","","0.71073","MoKα","","0.2059","0.0889","","","0.2053","0.2713","","","","","","0.963","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017374","8.2053","0.0002","10.2393","0.0003","10.9106","0.0002","67.099","0.001","73.695","0.001","85.866","0.001","809.74","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 N4 Ni O11 -","- C11 H16 N4 Ni O11 -","- C22 H32 N8 Ni2 O22 -","2","1","","Kopylovich, Maximilian N.; Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Kirillov, Alexander M.; Pombeiro, Armando J. L.","Unusual shift of a nitro group in a phenylhydrazo-β-diketone.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12472","12478","10.1039/c1dt11209k","","","0.71069","MoKα","","0.0561","0.0495","","","0.1283","0.1338","","","","","","1.073","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017375","17.6293","0.001","42.351","0.003","21.3809","0.0012","90","","109.905","0.003","90","","15009.7","1.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C107 H89 F24 N36 O29 S8 Zn4 -","- C107 H89 F24 N36 O29 S8 Zn4 -","- C428 H356 F96 N144 O116 S32 Zn16 -","4","0.5","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin; Rissanen, Kari; Sobolev, Alexandre N.; Lehn, Jean-Marie","Structural and metallo selectivity in the assembly of [2 ×2] grid-type metallosupramolecular species: Mechanisms and kinetic control.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12320","12332","10.1039/c1dt11226k","","","0.71073","MoKα","","0.2366","0.1182","","","0.3081","0.3604","","","","","","0.949","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017376","9.5705","0.0002","18.6451","0.0003","32.4579","0.0007","90","","90","","90","","5791.9","0.2","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C27 H32 N8 O2 S2 -","- C27 H32 N8 O2 S2 -","- C216 H256 N64 O16 S16 -","8","2","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin; Rissanen, Kari; Sobolev, Alexandre N.; Lehn, Jean-Marie","Structural and metallo selectivity in the assembly of [2 ×2] grid-type metallosupramolecular species: Mechanisms and kinetic control.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12320","12332","10.1039/c1dt11226k","","","0.71073","MoKα","","0.2375","0.0895","","","0.2238","0.2927","","","","","","1.034","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017377","7.3756","0.0002","10.4597","0.0003","8.3592","0.0002","90","","95.8421","0.0017","90","","641.53","0.03","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H13 Cl N2 O4 Pd -","- C8 H13 Cl N2 O4 Pd -","- C16 H26 Cl2 N4 O8 Pd2 -","2","0.5","","Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr","Chiral phosphinoferrocene carboxamides with amino acid substituents as ligands for Pd-catalysed asymmetric allylic substitutions. Synthesis and structural characterisation of catalytically relevant Pd complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11748","11757","10.1039/c1dt11230a","","","0.71073","MoKα","","0.018","0.0176","","","0.0442","0.0445","","","","","","1.126","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017378","10.0468","0.0007","30.55","0.002","9.7502","0.0007","90","","105.252","0.004","90","","2887.2","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl Fe N O4 P Pd -","- C30 H33 Cl Fe N O4 P Pd -","- C120 H132 Cl4 Fe4 N4 O16 P4 Pd4 -","4","1","","Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr","Chiral phosphinoferrocene carboxamides with amino acid substituents as ligands for Pd-catalysed asymmetric allylic substitutions. Synthesis and structural characterisation of catalytically relevant Pd complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11748","11757","10.1039/c1dt11230a","","","0.71073","MoKα","","0.0377","0.0322","","","0.0724","0.0747","","","","","","1.106","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017379","14.4397","0.0006","15.1067","0.0006","15.091","0.0007","90","","112.494","0.001","90","","3041.4","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl Fe N O7 P Pd -","- C30 H31 Cl Fe N O7 P Pd -","- C120 H124 Cl4 Fe4 N4 O28 P4 Pd4 -","4","1","","Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr","Chiral phosphinoferrocene carboxamides with amino acid substituents as ligands for Pd-catalysed asymmetric allylic substitutions. Synthesis and structural characterisation of catalytically relevant Pd complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11748","11757","10.1039/c1dt11230a","","","0.71073","MoKα","","0.0769","0.0386","","","0.0834","0.1025","","","","","","1.047","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017380","9.6432","0.0001","13.3074","0.0002","14.9716","0.0002","90","","102.374","0.002","90","","1876.61","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br N3 O3 Re -","- C19 H17 Br N3 O3 Re -","- C76 H68 Br4 N12 O12 Re4 -","4","1","","Casson, Lee A.; Muzzioli, Sara; Raiteri, Paolo; Skelton, Brian W.; Stagni, Stefano; Massi, Massimiliano; Brown, David H.","N-Heterocyclic carbenes as π*-acceptors in luminescent Re(i) triscarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11960","11967","10.1039/c1dt11233c","","","0.71073","MoKα","","0.0558","0.0386","","","0.0749","0.0811","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017381","15.871","0.0002","24.176","0.0004","19.349","0.0003","90","","98.312","0.001","90","","7346.17","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 Mg N3 -","- C39 H57 Mg N3 -","- C312 H456 Mg8 N24 -","8","2","","Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine","Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12500","12509","10.1039/c1dt11235j","","","0.71073","MoKα","","0.1506","0.0663","","","0.1442","0.1919","","","","","","1.029","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017382","35.9897","0.0012","15.3126","0.0003","14.6944","0.0005","90","","105.416","0.001","90","","7806.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 Mg N4 -","- C41 H53 Mg N4 -","- C328 H424 Mg8 N32 -","8","1","","Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine","Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12500","12509","10.1039/c1dt11235j","","","0.71073","MoKα","","0.1199","0.0663","","","0.1561","0.1913","","","","","","1.043","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017383","10.5988","0.0001","18.1105","0.0002","21.0057","0.0002","90","","90","","90","","4032.04","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 Mg N4 -","- C43 H60 Mg N4 -","- C172 H240 Mg4 N16 -","4","1","","Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine","Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12500","12509","10.1039/c1dt11235j","","","0.71073","MoKα","","0.0426","0.0384","","","0.098","0.1014","","","","","","1.055","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017384","18.3245","0.0002","10.8579","0.0001","22.0748","0.0003","90","","108.966","0.001","90","","4153.68","0.09","150","2","150","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C47 H56 Mg N4 -","- C47 H56 Mg N4 -","- C188 H224 Mg4 N16 -","4","1","","Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine","Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12500","12509","10.1039/c1dt11235j","","","0.71073","MoKα","","0.0812","0.0523","","","0.1217","0.1403","","","","","","1.039","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017385","13.0076","0.0002","14.3714","0.0002","18.6803","0.0003","90","","94.299","0.001","90","","3482.22","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H96 Mg2 N6 O2 -","- C68 H92 Mg2 N6 O2 -","- C136 H184 Mg4 N12 O4 -","2","0.5","","Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine","Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12500","12509","10.1039/c1dt11235j","","","0.71073","MoKα","","0.0909","0.0723","","","0.2008","0.2128","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017386","14.132","0.0007","13.7311","0.0005","17.9409","0.0011","90","","95.414","0.003","90","","3465.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Mg2 N8 O2 -","- C72 H102 Mg2 N8 O2 -","- C144 H204 Mg4 N16 O4 -","2","0.5","","Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine","Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12500","12509","10.1039/c1dt11235j","","","0.71073","MoKα","","0.1291","0.0845","","","0.2027","0.2394","","","","","","1.07","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017387","16.655","0.009","16.655","","29.156","0.013","90","","90","","120","","7004","5","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51 H45 Cl9 Ir N3 -","- C51 H45 Cl9 Ir N3 -","- C306 H270 Cl54 Ir6 N18 -","6","0.333333","","St-Pierre, Gabriel; Ladouceur, Sébastien; Fortin, Daniel; Zysman-Colman, Eli","Fraternal twin iridium hemicage chelates.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11726","11731","10.1039/c1dt11236h","","","0.71073","MoKα","","0.0892","0.0678","","","0.1633","0.1729","","","","","","0.994","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017388","17.678","0.0015","24.196","0.002","10.226","0.0009","90","","104.927","0.003","90","","4226.4","0.6","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl2 Mn2 N8 O12 -","- C38 H32 Cl2 Mn2 N8 O12 -","- C152 H128 Cl8 Mn8 N32 O48 -","4","1","","Gómez, Verónica; Corbella, Montserrat; Roubeau, Olivier; Teat, Simon J.","Magneto-structural correlations in dinuclear Mn(iii) compounds with formula [{Mn(L)(NN)}(μ-O)(μ-2-RC(6)H(4)COO)(2){Mn(L')(NN)}](n+).","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11968","11975","10.1039/c1dt11242b","","x-ray","0.7107","MoKα","","0.12","0.054","","","0.0985","0.1213","","","","","","1.011","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017389","13.8331","0.0009","14.3137","0.0008","19.8067","0.0014","85.011","0.004","80.989","0.004","87.146","0.004","3856.1","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C136 H100 Cl16 Mn8 N16 O57 -","- C136 H100 Cl16 Mn8 N16 O57 -","- C136 H100 Cl16 Mn8 N16 O57 -","1","0.5","","Gómez, Verónica; Corbella, Montserrat; Roubeau, Olivier; Teat, Simon J.","Magneto-structural correlations in dinuclear Mn(iii) compounds with formula [{Mn(L)(NN)}(μ-O)(μ-2-RC(6)H(4)COO)(2){Mn(L')(NN)}](n+).","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11968","11975","10.1039/c1dt11242b","","x-ray","0.7107","MoKα","","0.0935","0.0678","","","0.1628","0.1783","","","","","","1.159","","","","has coordinates,has disorder","201215","2020-10-21","18:00:00",""
"7017390","33.849","0.007","25.673","0.006","12.6","0.003","90","","108.432","0.003","90","","10388","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Cl2 Mn2 N6 O11 -","- C38 H24 Cl2 Mn2 N6 O11 -","- C304 H192 Cl16 Mn16 N48 O88 -","8","1","","Gómez, Verónica; Corbella, Montserrat; Roubeau, Olivier; Teat, Simon J.","Magneto-structural correlations in dinuclear Mn(iii) compounds with formula [{Mn(L)(NN)}(μ-O)(μ-2-RC(6)H(4)COO)(2){Mn(L')(NN)}](n+).","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11968","11975","10.1039/c1dt11242b","","","0.7749","","","0.0858","0.0522","","","0.1329","0.145","","","","","","0.92","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017391","17.7258","0.0012","17.7258","0.0012","12.3159","0.0014","90","","90","","90","","3869.7","0.6","150","2","150","2","","","","","","","","6","P 42/n n m :2","-P 4ac 2bc","134","","","","- C116 H40 Cl8 Co4 N16 O4 -","- C56 H32 Cl8 Co4 N16 -","- C112 H64 Cl16 Co8 N32 -","2","0.125","","Li, Feng; Clegg, Jack K.; D'Alessandro, Deanna M; Goux-Capes, Laurence; Sciortino, Natasha F.; Keene, Tony D.; Kepert, Cameron J.","Self-assembled Co(ii) molecular squares incorporating the bridging ligand 4,7-phenanthrolino-5,6:5',6'-pyrazine.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12388","12393","10.1039/c1dt11254f","","","0.71073","MoKα","","0.0925","0.0776","","","0.2181","0.2292","","","","","","1.096","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7017392","17.445","0.002","25.389","0.003","18.285","0.002","90","","90.097","0.007","90","","8098.6","1.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H55 Cl Co4 N27 O9.5 S7 -","- C71 H44 Cl Co4 N27 O9.5 S7 -","- C284 H176 Cl4 Co16 N108 O38 S28 -","4","1","","Li, Feng; Clegg, Jack K.; D'Alessandro, Deanna M; Goux-Capes, Laurence; Sciortino, Natasha F.; Keene, Tony D.; Kepert, Cameron J.","Self-assembled Co(ii) molecular squares incorporating the bridging ligand 4,7-phenanthrolino-5,6:5',6'-pyrazine.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12388","12393","10.1039/c1dt11254f","","","0.71073","MoKα","","0.0817","0.0553","","","0.1455","0.1697","","","","","","1.05","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7017393","17.5332","0.0008","25.5771","0.0012","18.536","0.0009","90","","90.479","0.002","90","","8312.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H56 Cl Co4 N27 O10 Se7 -","- C71 H44 Cl Co4 N27 O10 Se7 -","- C284 H176 Cl4 Co16 N108 O40 Se28 -","4","1","","Li, Feng; Clegg, Jack K.; D'Alessandro, Deanna M; Goux-Capes, Laurence; Sciortino, Natasha F.; Keene, Tony D.; Kepert, Cameron J.","Self-assembled Co(ii) molecular squares incorporating the bridging ligand 4,7-phenanthrolino-5,6:5',6'-pyrazine.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12388","12393","10.1039/c1dt11254f","","","0.71073","MoKα","","0.0947","0.0594","","","0.1544","0.1734","","","","","","1.047","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7017394","9.0631","0.0018","21.657","0.004","9.6803","0.0019","90","","96.97","0.03","90","","1886","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Au F5 P Se -","- C19 H13 Au F5 P Se -","- C76 H52 Au4 F20 P4 Se4 -","4","1","","Pop, Alexandra; Silvestru, Anca; Gimeno, M Concepción; Laguna, Antonio; Kulcsar, Monika; Arca, Massimiliano; Lippolis, Vito; Pintus, Anna","New group 11 complexes with metal-selenium bonds of methyldiphenylphosphane selenide: a solid state, solution and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12479","12490","10.1039/c1dt11268f","","","0.71073","MoKα","","0.0426","0.0383","","","0.0735","0.0746","","","","","","1.321","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7017395","10.848","0.002","20.482","0.004","13.523","0.003","90","","97.75","0.03","90","","2977.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H13 Au F15 P Se -","- C31 H13 Au F15 P Se -","- C124 H52 Au4 F60 P4 Se4 -","4","1","","Pop, Alexandra; Silvestru, Anca; Gimeno, M Concepción; Laguna, Antonio; Kulcsar, Monika; Arca, Massimiliano; Lippolis, Vito; Pintus, Anna","New group 11 complexes with metal-selenium bonds of methyldiphenylphosphane selenide: a solid state, solution and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12479","12490","10.1039/c1dt11268f","","","0.71073","MoKα","","0.0342","0.031","","","0.0655","0.067","","","","","","1.083","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7017396","13.8025","0.0004","11.7564","0.0003","26.8735","0.0006","90","","93.667","0.005","90","","4351.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 N O4 V -","- C46 H70 N O4 V -","- C184 H280 N4 O16 V4 -","4","1","","Kajiwara, Takashi; Wagner, Rita; Bill, Eckhard; Weyhermüller, Thomas; Chaudhuri, Phalguni","Non-oxo 5-coordinate and 6-coordinate vanadium(iv) complexes with their precursor [LV(III)(CH(3)OH)](0), where L = a trianionic aminetris(phenolate)-[N,O,O,O] donor ligand: a magnetostructural and EPR study.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12719","12726","10.1039/c1dt11277e","","","0.71073","MoKα","","0.056","0.0478","","","0.111","0.1145","","","","","","1.145","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017397","10.7177","0.0004","18.7454","0.0006","10.9784","0.0004","90","","99.288","0.002","90","","2176.73","0.13","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C46 H69 N O4 V -","- C47 H70 N O4 V -","- C94 H140 N2 O8 V2 -","2","0.5","","Kajiwara, Takashi; Wagner, Rita; Bill, Eckhard; Weyhermüller, Thomas; Chaudhuri, Phalguni","Non-oxo 5-coordinate and 6-coordinate vanadium(iv) complexes with their precursor [LV(III)(CH(3)OH)](0), where L = a trianionic aminetris(phenolate)-[N,O,O,O] donor ligand: a magnetostructural and EPR study.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12719","12726","10.1039/c1dt11277e","","","0.71073","MoKα","","0.074","0.0671","","","0.1757","0.1805","","","","","","1.062","","","","has coordinates,has disorder","179877","2020-10-21","18:00:00",""
"7017398","14.2584","0.0009","19.0279","0.0012","17.548","0.002","90","","91.14","0.01","90","","4760","0.7","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C50 H73 N O5 V -","- C50 H73 N O5 V -","- C200 H292 N4 O20 V4 -","4","2","","Kajiwara, Takashi; Wagner, Rita; Bill, Eckhard; Weyhermüller, Thomas; Chaudhuri, Phalguni","Non-oxo 5-coordinate and 6-coordinate vanadium(iv) complexes with their precursor [LV(III)(CH(3)OH)](0), where L = a trianionic aminetris(phenolate)-[N,O,O,O] donor ligand: a magnetostructural and EPR study.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12719","12726","10.1039/c1dt11277e","","","0.71073","MoKα","","0.0953","0.067","","","0.1319","0.1443","","","","","","1.038","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017399","11.242","0.002","11.9377","0.0016","13.0567","0.0017","103.166","0.002","98.309","0.004","109.756","0.002","1558.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N8 Ni O2 -","- C38 H30 N8 Ni O2 -","- C76 H60 N16 Ni2 O4 -","2","1","","Robinson, Jerome R.; Bahr, Katherine A.; Bierman, Matthew J.; Guzei, Ilia A.; Kieler-Ferguson, Heidi M; McCoy, Aaron M.; McGaff, Robert W.","Resolution of enantiomers of a series of chiral alkoxy-modified phthalocyaninato nickel(ii) complexes by enantioselective HPLC.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11809","11814","10.1039/c1dt11302j","","","0.71073","MoKα","","0.0749","0.0518","","","0.1256","0.1347","","","","","","0.946","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017400","14.1493","0.0007","25.3525","0.0012","32.8654","0.0015","90","","101.836","0.001","90","","11538.8","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C105 H154 Ba Cl2 Cu4 O35 -","- C98 H121 Ba Cl2 Cu4 O29 -","- C392 H484 Ba4 Cl8 Cu16 O116 -","4","1","","Barreira-Fontecha, Julia; Kulmaczewski, Rafal; Ma, Xiaomei; McKee, Vickie","Double template effect in [4 + 4] Schiff base macrocycle formation; an ESI-MS study.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12040","12043","10.1039/c1dt11341k","","","0.71073","MoKα","","0.0883","0.0602","","","0.1655","0.1791","","","","","","1.042","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017401","41.415","0.009","42.163","0.009","28.256","0.006","90","","101.949","0.003","90","","48271","18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C115 H163 Ba Cu4 N8 O22 -","- C105 H118 Ba Cu4 N8 O14 -","- C1680 H1888 Ba16 Cu64 N128 O224 -","16","2","","Barreira-Fontecha, Julia; Kulmaczewski, Rafal; Ma, Xiaomei; McKee, Vickie","Double template effect in [4 + 4] Schiff base macrocycle formation; an ESI-MS study.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12040","12043","10.1039/c1dt11341k","","","0.8464","Synchrotron","","0.1665","0.097","","","0.2658","0.2936","","","","","","0.908","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017402","7.826","0.004","8.287","0.003","9.222","0.004","71.887","0.017","85.343","0.018","63.734","0.012","508.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H8 Ge3 In N2 O7.5 -","- C2 H8 Ge3 In N2 O7.5 -","- C4 H16 Ge6 In2 N4 O15 -","2","1","","Pan, Chun-Yang; Yang, Guo-Yu","A new conformer of indium germanate InGe(3)O(7.5)(en): conformational polymorphism in germanate family.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11693","11695","10.1039/c1dt11366f","","","0.71073","MoKα","","0.0226","0.0196","","","0.0474","0.0488","","","","","","1.032","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017403","13.4504","0.0005","16.2605","0.0005","11.2638","0.0004","90","","103.733","0.004","90","","2393.08","0.15","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 B2 Li2 O2 P2 S2 Si4 -","- C36 H74 B2 Li2 O2 P2 S2 Si4 -","- C72 H148 B4 Li4 O4 P4 S4 Si8 -","2","0.5","","Izod, Keith; Watson, James M.; Clegg, William; Harrington, Ross W.","Synthesis, structures and stabilities of thioanisole-functionalised phosphido-borane complexes of the alkali metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11712","11718","10.1039/c1dt11368b","","","0.71073","MoKα","","0.0539","0.0324","","","0.0723","0.0755","","","","","","0.914","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017404","11.3566","0.0009","13.2652","0.001","21.1564","0.0018","93.397","0.007","104.76","0.007","97.552","0.006","3040.9","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H45 B N2 Na P S Si2 -","- C20 H45 B N2 Na P S Si2 -","- C80 H180 B4 N8 Na4 P4 S4 Si8 -","4","2","","Izod, Keith; Watson, James M.; Clegg, William; Harrington, Ross W.","Synthesis, structures and stabilities of thioanisole-functionalised phosphido-borane complexes of the alkali metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11712","11718","10.1039/c1dt11368b","","","0.71073","MoKα","","0.1302","0.0476","","","0.0849","0.0946","","","","","","0.698","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017405","11.1081","0.0006","12.0772","0.0007","14.3398","0.0007","101.977","0.004","108.829","0.005","105.691","0.005","1658.67","0.19","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H104 B2 K2 N6 P2 S2 Si4 -","- C46 H104 B2 K2 N6 P2 S2 Si4 -","- C46 H104 B2 K2 N6 P2 S2 Si4 -","1","0.5","","Izod, Keith; Watson, James M.; Clegg, William; Harrington, Ross W.","Synthesis, structures and stabilities of thioanisole-functionalised phosphido-borane complexes of the alkali metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11712","11718","10.1039/c1dt11368b","","","1.54178","CuKα","","0.0388","0.0315","","","0.0807","0.0846","","","","","","1.026","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017406","9.2763","0.0001","12.7033","0.0002","12.8777","0.0003","90.936","0.001","92.611","0.001","93.876","0.002","1512.17","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(Mn(bipy)2(HCTMCP))2.2MeOH","[Mn(bipy)2(HCTMCP)]2.2MeOH","","- C66 H40 Mn2 N20 O2 -","- C66 H32 Mn2 N20 O2 -","- C66 H32 Mn2 N20 O2 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.126","0.0627","","","0.1505","0.1773","","","","","","1.041","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017407","13.0154","0.0001","13.0154","0.0001","17.9458","0.0002","90","","90","","120","","2632.74","0.04","123","1","123","1","","","","","","","","4","P 31 2 1","P 31 2""","152","(Co(2,2'-bipy)3)(HCTMCP)","[Co(2,2'-bipy)3](HCTMCP)","","- C42 H24 Co N12 -","- C42 H24 Co N12 -","- C126 H72 Co3 N36 -","3","0.5","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.0252","0.0224","","","0.0575","0.0587","","","","","","1.053","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017408","12.9204","0.0001","12.9204","0.0001","17.7791","0.0002","90","","90","","120","","2570.35","0.04","123","1","123","1","","","","","","","","4","P 32 2 1","P 32 2""","154","(Fe(2,2'-bipy)3)(HCTMCP)","[Fe(2,2'-bipy)3](HCTMCP)","","- C42 H24 Fe N12 -","- C42 H24 Fe N12 -","- C126 H72 Fe3 N36 -","3","0.5","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.0251","0.0227","","","0.0581","0.0593","","","","","","1.03","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017409","10.713","0.0004","13.008","0.0004","13.5422","0.0006","92.719","0.001","95.09","0.001","91.71","0.002","1876.51","0.12","123","1","123","1","","","","","","","","5","P -1","-P 1","2","(Co(phen)2(HCTMCP)(H2O)).H2O.0.5MeCN","[Co(phen)2(HCTMCP)(H2O)].H2O.0.5MeCN","","- C37 H21.5 Co N10.5 O2 -","- C37 H18 Co N10.5 O2 -","- C74 H36 Co2 N21 O4 -","2","1","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.1854","0.0992","","","0.2684","0.317","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017410","7.6839","0.0003","16.3826","0.0006","18.9623","0.0009","90","","99.479","0.001","90","","2354.42","0.17","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Mn(phen)(HCTMCP)(MeOH)(H2O))","[Mn(phen)(HCTMCP)(MeOH)(H2O)]","","- C25 H14 Mn N8 O2 -","- C25 H14 Mn N8 O2 -","- C100 H56 Mn4 N32 O8 -","4","1","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.2069","0.0641","","","0.0805","0.1086","","","","","","1.021","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017411","7.5313","0.0001","15.915","0.0003","18.2438","0.0004","90","","98.71","0.001","90","","2161.5","0.07","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Mn(pypzH)(HCTMCP)(MeOH)(H2O))","[Mn(pypzH)(HCTMCP)(MeOH)(H2O)]","","- C21 H13 Mn N9 O2 -","- C21 H13 Mn N9 O2 -","- C84 H52 Mn4 N36 O8 -","4","1","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.0843","0.044","","","0.083","0.094","","","","","","1.025","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017412","8.0169","0.0002","15.3911","0.0003","18.0902","0.0004","90","","98.74","0.001","90","","2206.21","0.09","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Co(pypzH)(HCTMCP)(MeOH)2)","[Co(pypzH)(HCTMCP)(MeOH)2]","","- C22 H15 Co N9 O2 -","- C22 H15 Co N9 O2 -","- C88 H60 Co4 N36 O8 -","4","1","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.1036","0.069","","","0.1189","0.1293","","","","","","1.08","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017413","7.9896","0.0016","15.532","0.003","18.13","0.004","90","","98.89","0.03","90","","2222.8","0.8","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Fe(pypzH)(HCTMCP)(MeOH)2)","[Fe(pypzH)(HCTMCP)(MeOH)2]","","- C22 H15 Fe N9 O2 -","- C22 H15 Fe N9 O2 -","- C88 H60 Fe4 N36 O8 -","4","1","","Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12358","12367","10.1039/c1dt11369k","","","0.71073","MoKα","","0.0717","0.0548","","","0.1127","0.1191","","","","","","1.075","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017414","14.82","0.04","27.22","0.08","18.98","0.06","90","","107.88","0.04","90","","7287","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H60 Cl4 Fe2 N18 O20.5 -","- C66 H60 Cl4 Fe2 N18 O20.5 -","- C264 H240 Cl16 Fe8 N72 O82 -","4","1","","Archer, Rosanna J.; Hawes, Chris S.; Jameson, Guy N. L.; McKee, Vickie; Moubaraki, Boujemaa; Chilton, Nicholas F.; Murray, Keith S.; Schmitt, Wolfgang; Kruger, Paul E.","Partial spin crossover behaviour in a dinuclear iron(ii) triple helicate.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12368","12373","10.1039/c1dt11381j","","","0.7749","Synchrotron","","0.3104","0.1242","","","0.26","0.3435","","","","","","1.184","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017415","14.7039","0.0006","12.3522","0.0005","31.5375","0.0011","90","","93.005","0.003","90","","5720.1","0.4","108","2","108","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Fe2 O12 Zn2 -","- C24 H32 Fe2 O12 Zn2 -","- C192 H256 Fe16 O96 Zn16 -","8","1","","Bollermann, Timo; Schwedler, Inke; Molon, Mariusz; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Zinc-rich compounds of iron and cobalt: Formation of [Fe(2)Zn(n)] (n = 2-4) and [Co(2)Zn(3)] cores.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12570","12577","10.1039/c1dt11386k","","","0.71073","MoKα","","0.076","0.0432","","","0.0668","0.0787","","","","","","1.023","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017416","20.416","0.005","14.321","0.003","14.392","0.003","90","","110.34","0.03","90","","3945.5","1.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Fe2 O12 Zn4 -","- C24 H38 Fe2 O10 Zn4 -","- C96 H152 Fe8 O40 Zn16 -","4","1","","Bollermann, Timo; Schwedler, Inke; Molon, Mariusz; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Zinc-rich compounds of iron and cobalt: Formation of [Fe(2)Zn(n)] (n = 2-4) and [Co(2)Zn(3)] cores.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12570","12577","10.1039/c1dt11386k","","","0.71073","MoKα","","0.1158","0.0584","","","0.132","0.1537","","","","","","0.945","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017417","20.0442","0.0008","10.0158","0.0004","18.6317","0.0007","90","","90","","90","","3740.5","0.3","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H30 Fe2 N6 O6 Zn3 -","- C36 H30 Fe2 N6 O6 Zn3 -","- C144 H120 Fe8 N24 O24 Zn12 -","4","1","","Bollermann, Timo; Schwedler, Inke; Molon, Mariusz; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Zinc-rich compounds of iron and cobalt: Formation of [Fe(2)Zn(n)] (n = 2-4) and [Co(2)Zn(3)] cores.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12570","12577","10.1039/c1dt11386k","","","0.71073","MoKα","","0.0603","0.0396","","","0.0644","0.071","","","","","","1.051","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017418","17.2422","0.0018","14.6947","0.0013","19.774","0.002","90","","113.37","0.012","90","","4599.1","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 Co2 N2 O6 Zn3 -","- C36 H40 Co2 N2 O6 Zn3 -","- C144 H160 Co8 N8 O24 Zn12 -","4","1","","Bollermann, Timo; Schwedler, Inke; Molon, Mariusz; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Zinc-rich compounds of iron and cobalt: Formation of [Fe(2)Zn(n)] (n = 2-4) and [Co(2)Zn(3)] cores.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12570","12577","10.1039/c1dt11386k","","","0.71073","MoKα","","0.1345","0.0777","","","0.2032","0.227","","","","","","1.076","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017419","16.7762","0.0006","17.0143","0.0006","14.2531","0.0005","90","","90","","90","","4068.3","0.2","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H54 Co2 O9 Zn3 -","- C38 H54 Co2 O9 Zn3 -","- C152 H216 Co8 O36 Zn12 -","4","0.5","","Bollermann, Timo; Schwedler, Inke; Molon, Mariusz; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Zinc-rich compounds of iron and cobalt: Formation of [Fe(2)Zn(n)] (n = 2-4) and [Co(2)Zn(3)] cores.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12570","12577","10.1039/c1dt11386k","","","0.71073","MoKα","","0.0578","0.0341","","","0.0647","0.0733","","","","","","1.036","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017420","20.3776","0.0013","21.5461","0.0015","28.7397","0.0019","79.876","0.002","85.013","0.002","77.697","0.002","12120.6","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C230 H270 F30 N40 O60 S20 Zn5 -","- C169 H160 F27 N30 O37 S19 Zn5 -","- C338 H320 F54 N60 O74 S38 Zn10 -","2","1","","Clegg, Oliver R.; Fennessy, Rebecca V.; Harding, Lindsay P.; Rice, Craig R.; Riis-Johannessen, T; Fletcher, Nicholas C.","Diastereoselective assembly of pentanuclear circular helicates.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12381","12387","10.1039/c1dt11414j","","","0.71073","MoKα","","0.1415","0.1032","","","0.2819","0.3051","","","","","","1.069","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017421","15.6099","0.0002","9.6563","0.0001","27.2685","0.0004","90","","90","","90","","4110.29","0.09","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H34 N4 Zn -","- C18 H34 N4 Zn -","- C144 H272 N32 Zn8 -","8","2","","Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11945","11954","10.1039/c1dt11430a","","","0.71073","MoKα","","0.0299","0.0241","","","0.0564","0.0573","","","","","","1.01","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017422","15.435","0.0003","10.3607","0.0002","9.7566","0.0002","90","","90","","90","","1560.25","0.05","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 Zn -","- C14 H24 N4 Zn -","- C56 H96 N16 Zn4 -","4","1","","Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11945","11954","10.1039/c1dt11430a","","","0.71073","MoKα","","0.0264","0.0239","","","0.0569","0.0582","","","","","","1.03","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017423","8.3429","0.0002","11.0909","0.0003","14.1002","0.0003","94.178","0.002","104.038","0.002","95.994","0.002","1252.28","0.05","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 N3 Na O3 Zn -","- C24 H36 N3 Na O3 Zn -","- C48 H72 N6 Na2 O6 Zn2 -","2","1","","Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11945","11954","10.1039/c1dt11430a","","","0.71073","MoKα","","0.0507","0.0364","","","0.0763","0.0822","","","","","","1.037","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017424","12.2787","0.0006","12.2787","0.0006","11.2091","0.0009","90","","90","","90","","1689.96","0.18","123","2","123","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C28 H48 N8 Na2 Zn -","- C28.024 H48 N8 Na2 Zn -","- C56.048 H96 N16 Na4 Zn2 -","2","0.25","","Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11945","11954","10.1039/c1dt11430a","","","0.71073","MoKα","","0.0672","0.0464","","","0.0825","0.0902","","","","","","1.058","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017425","19.0953","0.0009","25.2534","0.0013","17.1703","0.0008","90","","102.034","0.005","90","","8097.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 N10 Na2 Zn -","- C34.004 H62 N10 Na2 Zn -","- C272.032 H496 N80 Na16 Zn8 -","8","2","","Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11945","11954","10.1039/c1dt11430a","","","0.71073","MoKα","","0.0774","0.0439","","","0.0847","0.0984","","","","","","1.015","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017426","9.3617","0.0005","9.638","0.0004","18.0907","0.0008","90","","100.702","0.005","90","","1603.9","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H54 N8 Na2 -","- C25.91 H54 N7.97 Na2 -","- C51.82 H108 N15.94 Na4 -","2","0.5","","Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11945","11954","10.1039/c1dt11430a","","","0.71073","MoKα","","0.0843","0.0595","","","0.1431","0.1589","","","","","","1.026","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017427","7.416","0.007","8.04","0.007","12.085","0.01","74.754","0.012","79.687","0.012","63.974","0.011","623","1","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","(pmtpm-SCN)","","","- C14 H11 N3 S2 -","- C14 H11 N3 S2 -","- C28 H22 N6 S4 -","2","1","","Roy, Suprakash; Javed, Saleem; Olmstead, Marilyn M.; Patra, Apurba K.","First structural example of a metal uncoordinated mesoionic imidazo[1,5-a]pyridine and its precursor intermediate copper complex: an insight to the catalytic cycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12866","12876","10.1039/c1dt11435b","","x-ray","0.71073","MoKα","","0.0937","0.0638","","","0.1517","0.1703","","","","","","0.964","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017428","6.7778","0.0003","15.2422","0.0008","18.9036","0.0009","90","","90","","90","","1952.9","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","[(pmtpm)CuII(SCN)CuI(SCN)2]n","","","- C16 H12 Cu2 N5 S4 -","- C16 H12 Cu2 N5 S4 -","- C64 H48 Cu8 N20 S16 -","4","1","","Roy, Suprakash; Javed, Saleem; Olmstead, Marilyn M.; Patra, Apurba K.","First structural example of a metal uncoordinated mesoionic imidazo[1,5-a]pyridine and its precursor intermediate copper complex: an insight to the catalytic cycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12866","12876","10.1039/c1dt11435b","","x-ray","0.71073","MoKα","","0.0604","0.0506","","","0.1184","0.1249","","","","","","1.085","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017429","6.95","0.002","7.115","0.002","14.846","0.005","89.315","0.01","83.557","0.009","79.712","0.009","717.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[(pmtpm)Cu(N3)Cl]","","- C13 H12 Cl Cu N5 S -","- C13 H12 Cl Cu N5 S -","- C26 H24 Cl2 Cu2 N10 S2 -","2","1","","Roy, Suprakash; Javed, Saleem; Olmstead, Marilyn M.; Patra, Apurba K.","First structural example of a metal uncoordinated mesoionic imidazo[1,5-a]pyridine and its precursor intermediate copper complex: an insight to the catalytic cycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12866","12876","10.1039/c1dt11435b","","x-ray","0.71073","MoKα","","0.0576","0.0405","","","0.0979","0.1054","","","","","","1.037","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017430","9.9433","0.0008","10.6557","0.0008","14.4837","0.0011","90","","90.237","0.002","90","","1534.6","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","[(pmtpm)CuII(N3)(SCN)]","","","- C14 H12 Cu N6 S2 -","- C14 H12 Cu N6 S2 -","- C56 H48 Cu4 N24 S8 -","4","1","","Roy, Suprakash; Javed, Saleem; Olmstead, Marilyn M.; Patra, Apurba K.","First structural example of a metal uncoordinated mesoionic imidazo[1,5-a]pyridine and its precursor intermediate copper complex: an insight to the catalytic cycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12866","12876","10.1039/c1dt11435b","","x-ray","0.71073","MoKα","","0.0584","0.0395","","","0.0859","0.0939","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017431","13.3675","0.0007","8.504","0.0004","21.0854","0.0011","90","","90.387","0.002","90","","2396.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br N3 Pd -","- C28 H24 Br N3 Pd -","- C112 H96 Br4 N12 Pd4 -","4","1","","Nicasio-Collazo, Juan; Alvarez, Eleuterio; Alvarado-Monzón, José C; Andreu-de-Riquer, Gabriel; Jimenez-Halla, J Oscar C; De León-Rodríguez, Luis M; Merino, Gabriel; Morales, Ubaldo; Serrano, Oracio; López, Jorge A","New seven membered palladacycles: C-Br bond activation of 2-bromo-pyridine derivative by Pd(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12450","12453","10.1039/c1dt11451d","","","0.71073","MoKα","","0.0294","0.0229","","","0.0516","0.0536","","","","","","1.078","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017432","16.4824","0.001","11.902","0.0007","45.221","0.003","90","","90","","90","","8871.2","1","223","2","223","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C78 H104 B2 Br4 F8 N8 O8 Pd2 -","- C78 H104 B2 Br4 F8 N8 O8 Pd2 -","- C312 H416 B8 Br16 F32 N32 O32 Pd8 -","4","0.5","","Huynh, Han Vinh; Sim, Weiheng; Chin, Chee Fei","[2]Rotaxanes with Palladium(ii)-NHC stoppers.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11690","11692","10.1039/c1dt11472g","","","0.71073","MoKα","","0.0938","0.0545","","","0.1389","0.1561","","","","","","1.032","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017433","20.3588","0.0006","17.531","0.0005","26.8606","0.0008","90","","107.901","0.001","90","","9122.7","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H102 Br8 N16 Pd4 -","- C74 H102 Br8 N16 Pd4 -","- C296 H408 Br32 N64 Pd16 -","4","1","","Huynh, Han Vinh; Sim, Weiheng; Chin, Chee Fei","[2]Rotaxanes with Palladium(ii)-NHC stoppers.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11690","11692","10.1039/c1dt11472g","","","0.71073","MoKα","","0.091","0.0513","","","0.1217","0.1354","","","","","","0.995","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017434","21.8574","0.0015","12.0368","0.0009","17.64","0.0013","90","","94.218","0.002","90","","4628.4","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H103 B2 Br4 F8 N13 O8 Pd2 -","- C82 H103 B2 Br4 F8 N13 O8 Pd2 -","- C164 H206 B4 Br8 F16 N26 O16 Pd4 -","2","0.5","","Huynh, Han Vinh; Sim, Weiheng; Chin, Chee Fei","[2]Rotaxanes with Palladium(ii)-NHC stoppers.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11690","11692","10.1039/c1dt11472g","","","0.71073","MoKα","","0.0628","0.0421","","","0.1021","0.1102","","","","","","1.041","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017435","21.8931","0.0016","12.5992","0.001","14.5756","0.0011","90","","105.64","0.002","90","","3871.6","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H80 B2 Br4 F8 N16 Pd2 -","- C64 H80 B2 Br4 F8 N16 Pd2 -","- C128 H160 B4 Br8 F16 N32 Pd4 -","2","0.5","","Huynh, Han Vinh; Sim, Weiheng; Chin, Chee Fei","[2]Rotaxanes with Palladium(ii)-NHC stoppers.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11690","11692","10.1039/c1dt11472g","","","0.71073","MoKα","","0.0581","0.0385","","","0.0891","0.0977","","","","","","1.017","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017436","8.7461","0.0004","9.4386","0.0005","16.4508","0.0007","84.594","0.004","76.871","0.004","62.835","0.005","1176.58","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Au Br5 P Se -","- C18 H15 Au Br5 P Se -","- C36 H30 Au2 Br10 P2 Se2 -","2","1","","Taouss, Christina; Jones, Peter G.","Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11687","11689","10.1039/c1dt11476j","","","0.71073","MoKα","","0.0234","0.017","","","0.0343","0.0348","","","","","","0.972","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017437","9.974","0.002","13.76","0.003","15.679","0.003","95.7","0.03","97.32","0.03","95.08","0.03","2112.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H58 Au2 Cl20 P4 Se2 -","- C74 H58 Au2 Cl20 P4 Se2 -","- C74 H58 Au2 Cl20 P4 Se2 -","1","0.5","","Taouss, Christina; Jones, Peter G.","Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11687","11689","10.1039/c1dt11476j","","","0.71073","MoKα","","0.1069","0.0687","","","0.1491","0.1695","","","","","","1.042","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017438","10.3072","0.0006","13.378","0.002","21.0032","0.0016","90","","91.302","0.007","90","","2895.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Au Br5 P2 S -","- C25 H22 Au Br5 P2 S -","- C100 H88 Au4 Br20 P8 S4 -","4","1","","Taouss, Christina; Jones, Peter G.","Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11687","11689","10.1039/c1dt11476j","","","0.71073","MoKα","","0.0571","0.0256","","","0.0286","0.03","","","","","","0.675","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017439","14.948","0.002","16.397","0.003","16.986","0.003","117.927","0.015","94.835","0.012","108.542","0.015","3349.6","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.5 H25 Au Br5 Cl P2 S -","- C30.5 H25 Au Br5 Cl P2 S -","- C122 H100 Au4 Br20 Cl4 P8 S4 -","4","2","","Taouss, Christina; Jones, Peter G.","Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11687","11689","10.1039/c1dt11476j","","","0.71073","MoKα","","0.1457","0.0467","","","0.0643","0.0726","","","","","","0.605","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017440","10.4495","0.0005","14.0201","0.0003","21.6335","0.0005","90","","90","","90","","3169.37","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Au I5 P2 S -","- C25 H22 Au I5 P2 S -","- C100 H88 Au4 I20 P8 S4 -","4","1","","Taouss, Christina; Jones, Peter G.","Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11687","11689","10.1039/c1dt11476j","","","0.71073","MoKα","","0.0296","0.0238","","","0.0419","0.0425","","","","","","0.915","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017441","13.734","0.0004","12.2533","0.0002","14.9748","0.0004","90","","114.913","0.005","90","","2285.57","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Au Br5 P S -","- C18 H15 Au Br5 P S -","- C72 H60 Au4 Br20 P4 S4 -","4","1","","Taouss, Christina; Jones, Peter G.","Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11687","11689","10.1039/c1dt11476j","","","0.71073","MoKα","","0.0346","0.0221","","","0.045","0.0462","","","","","","0.909","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017442","21.931","0.002","10.4353","0.001","13.727","0.0008","90","","90","","90","","3141.5","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H22 Au I5 P2 Se -","- C25 H22 Au I5 P2 Se -","- C100 H88 Au4 I20 P8 Se4 -","4","1","","Taouss, Christina; Jones, Peter G.","Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11687","11689","10.1039/c1dt11476j","","","0.71073","MoKα","","0.0876","0.0391","","","0.0435","0.049","","","","","","0.575","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017443","22.421","0.003","12.2647","0.0015","17.654","0.002","90","","106.386","0.001","90","","4657.4","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","trans-Mo2(DAniF)2(OOCC6F5)2(CH2Cl2)","","","- C45 H32 Cl2 F10 Mo2 N4 O8 -","- C45 H30 Cl2 F10 Mo2 N4 O8 -","- C180 H120 Cl8 F40 Mo8 N16 O32 -","4","0.5","","Han, Li Juan; Fan, Li Yan; Meng, Miao; Wang, Xuefeng; Liu, Chun Y.","Supramolecular assemblies of dimolybdenum transoids built by Mo(2)-enhanced perfluorophenyl-perfluorophenyl synthons.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12832","12838","10.1039/c1dt11490e","","","0.71073","MoKα","","0.0348","0.0289","","","0.0772","0.081","","","","","","1.055","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017444","9.2255","0.0013","11.9204","0.0017","12.8568","0.0018","76.551","0.002","82.545","0.002","72.299","0.002","1307.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-Mo2(DAniF)2(OOCC6F5)2(THF)2","","","- C52 H46 F10 Mo2 N4 O10 -","- C52 H46 F10 Mo2 N4 O10 -","- C52 H46 F10 Mo2 N4 O10 -","1","0.5","","Han, Li Juan; Fan, Li Yan; Meng, Miao; Wang, Xuefeng; Liu, Chun Y.","Supramolecular assemblies of dimolybdenum transoids built by Mo(2)-enhanced perfluorophenyl-perfluorophenyl synthons.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12832","12838","10.1039/c1dt11490e","","","0.71073","MoKα","","0.0552","0.0394","","","0.0852","0.0921","","","","","","1.018","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017445","10.255","0.001","17.542","0.002","20.379","0.002","90","","90","","90","","3666","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H18 N3 Ru S6 -","- C9 H18 N3 Ru S6 -","- C72 H144 N24 Ru8 S48 -","8","1","","Nagy, Eszter Márta; Nardon, Chiara; Giovagnini, Lorena; Marchiò, Luciano; Trevisan, Andrea; Fregona, Dolores","Promising anticancer mono- and dinuclear ruthenium(iii) dithiocarbamato complexes: systematic solution studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11885","11895","10.1039/c1dt11504a","","","0.71073","MoKα","","0.0492","0.026","","","0.0486","0.0523","","","","","","1.005","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017446","8.942","0.002","11.338","0.002","13.568","0.003","85.612","0.003","83.206","0.003","71.499","0.003","1294.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl3 N3 Ru S6 -","- C16 H25 Cl3 N3 Ru S6 -","- C32 H50 Cl6 N6 Ru2 S12 -","2","1","","Nagy, Eszter Márta; Nardon, Chiara; Giovagnini, Lorena; Marchiò, Luciano; Trevisan, Andrea; Fregona, Dolores","Promising anticancer mono- and dinuclear ruthenium(iii) dithiocarbamato complexes: systematic solution studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11885","11895","10.1039/c1dt11504a","","","0.71073","MoKα","","0.0599","0.0395","","","0.0875","0.0969","","","","","","1.008","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017447","10.077","0.008","16.701","0.009","18.769","0.009","90","","90","","90","","3159","3","293","2","293","2","","","","","","","","6","P c a n","-P 2n 2c","60","","","","- C18 H30 N3 O6 Ru S6 -","- C18 H30 N3 O6 Ru S6 -","- C72 H120 N12 O24 Ru4 S24 -","4","0.5","","Nagy, Eszter Márta; Nardon, Chiara; Giovagnini, Lorena; Marchiò, Luciano; Trevisan, Andrea; Fregona, Dolores","Promising anticancer mono- and dinuclear ruthenium(iii) dithiocarbamato complexes: systematic solution studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11885","11895","10.1039/c1dt11504a","","","0.71073","MoKα","","0.1599","0.0719","","","0.1928","0.233","","","","","","1.008","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017448","13.79","0.004","18.241","0.003","33.719","0.007","90","","90","","90","","8482","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C94 H112 Mg2 N4 O4 -","- C94 H112 Mg2 N4 O4 -","- C376 H448 Mg8 N16 O16 -","4","0.5","","Han, Tomasz; Utko, Józef; Jerzykiewicz, Lucjan B.; Sobota, Piotr","Design of a magnesium-pridinolum complex for polylactide-drug conjugates formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12660","12662","10.1039/c1dt11545f","","","0.71073","MoKα","","0.1268","0.0571","","","0.1269","0.1444","","","","","","0.926","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017449","8.5723","0.0003","11.8829","0.0007","12.3644","0.0008","70.656","0.002","88.378","0.003","69.372","0.003","1106.61","0.11","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H31 N3 -","- C25 H31 N3 -","- C50 H62 N6 -","2","1","","Larocque, Timothy G.; Badaj, Anna C.; Dastgir, Sarim; Lavoie, Gino G.","New stable aryl-substituted acyclic imino-N-heterocyclic carbene: synthesis, characterisation and coordination to early transition metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12705","12712","10.1039/c1dt11565k","","","0.71073","MoKα","","0.1269","0.0699","","","0.1747","0.2146","","","","","","1.049","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017450","9.7534","0.0005","18.8425","0.0011","16.5548","0.0007","90","","93.221","0.003","90","","3037.6","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl6 N3 Ti -","- C26 H33 Cl6 N3 Ti -","- C104 H132 Cl24 N12 Ti4 -","4","1","","Larocque, Timothy G.; Badaj, Anna C.; Dastgir, Sarim; Lavoie, Gino G.","New stable aryl-substituted acyclic imino-N-heterocyclic carbene: synthesis, characterisation and coordination to early transition metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12705","12712","10.1039/c1dt11565k","","","0.71073","MoKα","","0.1173","0.0675","","","0.1643","0.1895","","","","","","1.042","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017451","25.3593","0.0006","10.6747","0.0009","16.5496","0.0012","90","","90","","90","","4480","0.5","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H31 Cl4 N3 Zr -","- C25 H31 Cl4 N3 Zr -","- C100 H124 Cl16 N12 Zr4 -","4","0.5","","Larocque, Timothy G.; Badaj, Anna C.; Dastgir, Sarim; Lavoie, Gino G.","New stable aryl-substituted acyclic imino-N-heterocyclic carbene: synthesis, characterisation and coordination to early transition metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12705","12712","10.1039/c1dt11565k","","","0.71073","MoKα","","0.108","0.08","","","0.2419","0.2569","","","","","","1.126","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017452","34.9199","0.0004","34.9199","0.0004","11.2791","0.0002","90","","90","","90","","13753.7","0.3","150","","150","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C29 H39 Cl3 N3 O Ti -","- C29 H39 Cl3 N3 O Ti -","- C464 H624 Cl48 N48 O16 Ti16 -","16","1","","Larocque, Timothy G.; Badaj, Anna C.; Dastgir, Sarim; Lavoie, Gino G.","New stable aryl-substituted acyclic imino-N-heterocyclic carbene: synthesis, characterisation and coordination to early transition metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12705","12712","10.1039/c1dt11565k","","","0.71073","MoKα","","0.0899","0.0615","","","0.1605","0.1788","","","","","","1.115","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017453","34.553","0.006","34.553","","11.316","0.002","90","","90","","90","","13510","3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C30 H41 Cl5 Cr N3 O -","- C30 H41 Cl5 Cr N3 O -","- C480 H656 Cl80 Cr16 N48 O16 -","16","1","","Larocque, Timothy G.; Badaj, Anna C.; Dastgir, Sarim; Lavoie, Gino G.","New stable aryl-substituted acyclic imino-N-heterocyclic carbene: synthesis, characterisation and coordination to early transition metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12705","12712","10.1039/c1dt11565k","","","0.71073","MoKα","","0.0942","0.0595","","","0.1178","0.1291","","","","","","1.372","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017454","8.0796","0.0009","14.0121","0.0012","19.121","0.0016","90","","90","","90","","2164.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Dy O6 -","- C24 H21 Dy O6 -","- C96 H84 Dy4 O24 -","4","1","","Luo, Feng; Liao, Zhen-Wei; Song, Yu-Mei; Huang, Hai-Xiao; Tian, Xiao-Zhao; Sun, Gong-Ming; Zhu, Yan; Yuan, Zi-Zun; Luo, Ming-Biao; Liu, Shu-Juan; Xu, Wen-Yuan; Feng, Xue-Feng","Chiral 1D Dy(iii) compound showing slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12651","12655","10.1039/c1dt11582k","","","0.71073","MoKα","","0.0281","0.0246","","","0.0544","0.056","","","","","","1.028","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017455","24.4376","0.0003","29.2923","0.0003","25.2535","0.0003","90","","90","","90","","18077.3","0.4","173.15","","173.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C165.8 H168.6 Cl21 Mn4 N16 O36 -","- C165.8 H163.6 Cl21 Mn4 N16 O36 -","- C663.2 H654.4 Cl84 Mn16 N64 O144 -","4","0.5","","Sham, Kiu-Chor; Zheng, Guoli; Li, Yinyan; Yiu, Shek-Man; Kwong, Hoi-Lun","Metallo-macrocycles with labile coordination sites through self assembly: Binuclear phenyl bridged bisbipyridine manganese complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12060","12062","10.1039/c1dt11589h","","","1.5418","CuKα","","0.1141","0.0944","","","0.2577","0.2717","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017456","31.027","0.0007","14.2965","0.0002","34.6803","0.0012","90","","115.676","0.003","90","","13864.4","0.7","113.15","","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H55.5 Cl4 Mn2 N11.5 O20.5 -","- C59 H54.5 Cl4 Mn2 N11.5 O20.5 -","- C472 H436 Cl32 Mn16 N92 O164 -","8","1","","Sham, Kiu-Chor; Zheng, Guoli; Li, Yinyan; Yiu, Shek-Man; Kwong, Hoi-Lun","Metallo-macrocycles with labile coordination sites through self assembly: Binuclear phenyl bridged bisbipyridine manganese complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12060","12062","10.1039/c1dt11589h","","","1.54178","CuKα","","0.0966","0.0797","","","0.2443","0.2661","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017457","19.3273","0.0003","19.3273","0.0003","19.3273","0.0003","90","","90","","90","","7219.61","0.19","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C3.23 H4.92 Cd0.25 Cl0.0625 N2.56 O0.6 -","- C1.5 H0.5 Cd0.25 Cl0.0625 N2 O0.25 -","- C72 H24 Cd12 Cl3 N96 O12 -","48","1","","Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon","Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12288","12300","10.1039/c1dt11590a","","","0.71073","MoKα","","0.0392","0.0375","","","0.0954","0.0969","","","","","","1.173","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017458","28.828","0.002","6.4136","0.0005","13.956","0.0011","90","","91.547","0.002","90","","2579.4","0.3","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Co4 N16 O10 S -","- C16 H18 Co4 N16 O10 S -","- C64 H72 Co16 N64 O40 S4 -","4","0.5","","Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon","Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12288","12300","10.1039/c1dt11590a","","","0.71073","MoKα","","0.0332","0.028","","","0.0637","0.0662","","","","","","1.045","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017459","7.3246","0.0004","13.224","0.0007","22.7669","0.0012","90","","90","","90","","2205.2","0.2","98","2","98","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Co3 N12 O12 S -","- C9 H14 Co3 N12 O12 S -","- C36 H56 Co12 N48 O48 S4 -","4","0.5","","Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon","Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12288","12300","10.1039/c1dt11590a","","","0.71073","MoKα","","0.0519","0.0409","","","0.0924","0.0979","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7017460","14.0142","0.0006","25.4144","0.0011","8.7031","0.0004","90","","100.24","0.001","90","","3050.3","0.2","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Co5 F2 N32 O8 -","- C56 H48 Co5 F2 N32 O8 -","- C112 H96 Co10 F4 N64 O16 -","2","0.5","","Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon","Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12288","12300","10.1039/c1dt11590a","","","0.71073","MoKα","","0.0554","0.0433","","","0.1065","0.1135","","","","","","1.038","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017461","7.5423","0.0009","26.318","0.003","12.5387","0.0014","90","","90","","90","","2488.9","0.5","98","2","98","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C3 H4.38 N3 Ni0.25 O1.31 -","- C3 H1.75 N3 Ni0.25 -","- C48 H28 N48 Ni4 -","16","1","","Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon","Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12288","12300","10.1039/c1dt11590a","","","0.71073","MoKα","","0.069","0.0576","","","0.1319","0.1374","","","","","","1.09","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017462","8.0626","0.0005","8.7291","0.0006","12.9913","0.0009","90","","90","","90","","914.32","0.11","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon","Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12288","12300","10.1039/c1dt11590a","","","0.71073","MoKα","","0.0307","0.0293","","","0.0694","0.0699","","","","","","1.072","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017463","10.3126","0.0017","17.824","0.003","15.921","0.003","90","","102.561","0.002","90","","2856.4","0.9","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 Cl N3 Si2 -","- C26 H46 Cl N3 Si2 -","- C104 H184 Cl4 N12 Si8 -","4","1","","Cui, Haiyan; Cui, Chunming","Silylation of N-heterocyclic carbene with aminochlorosilane and -disilane: dehydrohalogenation vs. Si-Si bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11937","11940","10.1039/c1dt11592h","","","0.71073","MoKα","","0.0627","0.0448","","","0.0964","0.104","","","","","","1.016","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017464","10.129","0.002","17.177","0.003","34.277","0.007","90","","90","","90","","5964","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H47 Cl N3 Si2 -","- C26 H46 Cl N3 Si2 -","- C208 H368 Cl8 N24 Si16 -","8","1","","Cui, Haiyan; Cui, Chunming","Silylation of N-heterocyclic carbene with aminochlorosilane and -disilane: dehydrohalogenation vs. Si-Si bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11937","11940","10.1039/c1dt11592h","","","0.71073","MoKα","","0.0662","0.0573","","","0.1317","0.1363","","","","","","1.144","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017465","4.757","0.002","8.231","0.004","8.524","0.004","61.184","0.004","79.059","0.005","85.228","0.005","287.1","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H6.5 Al0.5 N O5 P -","- C2 H6.5 Al0.5 N O5 P -","- C4 H13 Al N2 O10 P2 -","2","1","","Ayi, Ayi Anyama; Kinnibrugh, Tiffany L.; Clearfield, Abraham","Linear chain aluminium(iii) carboxymethylphosphonate with encapsulated ammonium ions.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12648","12650","10.1039/c1dt11620g","","","0.71073","MoKα","","0.0271","0.0248","","","0.0687","0.0702","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017466","10.1964","0.0004","12.4327","0.0004","18.4795","0.0007","89.086","0.002","77.852","0.002","83.264","0.002","2274.27","0.15","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.53 H46.32 B N6 O2 P Ru -","- C45 H40 B N6 O2 P Ru -","- C90 H80 B2 N12 O4 P2 Ru2 -","2","1","","Hu, Ting-Chuan; Hsiao, Pei-I; Wang, Tsang-Hsiu; Yang, Yu-Wen; Chang, Chih-Yun; Wu, Yuan-Hsun; Sun, Wei-Chen; Yu, Ming-Shiuan; Lee, Ching-Yu; Lo, Yih-Hsing","Ruthenium-catalyzed oxidation of a carbon-carbon triple bond: facile syntheses of alkenyl 1,2-diketones from alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12663","12666","10.1039/c1dt11642h","","","0.71073","MoKα","","0.0583","0.0392","","","0.0856","0.0915","","","","","","0.947","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017467","11.7013","0.0007","14.1739","0.0009","23.4437","0.0013","90","","104.301","0.002","90","","3767.7","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H39 B N7 O P Ru -","- C43 H39 B N7 O P Ru -","- C172 H156 B4 N28 O4 P4 Ru4 -","4","1","","Hu, Ting-Chuan; Hsiao, Pei-I; Wang, Tsang-Hsiu; Yang, Yu-Wen; Chang, Chih-Yun; Wu, Yuan-Hsun; Sun, Wei-Chen; Yu, Ming-Shiuan; Lee, Ching-Yu; Lo, Yih-Hsing","Ruthenium-catalyzed oxidation of a carbon-carbon triple bond: facile syntheses of alkenyl 1,2-diketones from alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12663","12666","10.1039/c1dt11642h","","","0.71073","MoKα","","0.0341","0.0285","","","0.0704","0.0737","","","","","","1.027","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017468","24.637","0.001","10.0656","0.0004","32.0278","0.0013","90","","91.513","0.002","90","","7939.7","0.6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 B N6 O P Ru -","- C45 H42 B N6 O P Ru -","- C360 H336 B8 N48 O8 P8 Ru8 -","8","2","","Hu, Ting-Chuan; Hsiao, Pei-I; Wang, Tsang-Hsiu; Yang, Yu-Wen; Chang, Chih-Yun; Wu, Yuan-Hsun; Sun, Wei-Chen; Yu, Ming-Shiuan; Lee, Ching-Yu; Lo, Yih-Hsing","Ruthenium-catalyzed oxidation of a carbon-carbon triple bond: facile syntheses of alkenyl 1,2-diketones from alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12663","12666","10.1039/c1dt11642h","","","0.71073","MoKα","","0.0758","0.0457","","","0.0951","0.1137","","","","","","1.064","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017469","8.7402","0.0003","11.1657","0.0005","16.9401","0.0005","90","","135.074","0.002","90","","1167.47","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Au Cl2 N -","- C10 H14 Au Cl2 N -","- C40 H56 Au4 Cl8 N4 -","4","1","","Price, Gregory A.; Flower, Kevin R.; Pritchard, Robin G.; Brisdon, Alan K.; Quayle, Peter","First structurally confirmed example of the formation of a gold(iii) carbon bond via transmetallation with a boroxine.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11696","11697","10.1039/c1dt11721a","","x-ray","0.71073","MoKα","","0.0531","0.0469","","","0.1155","0.1202","","","","","","1.096","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017470","11.1006","0.0006","12.4134","0.0006","13.2951","0.0007","79.158","0.002","78.196","0.002","78.047","0.002","1733.96","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H71 Cl2 Gd4 N2 O29.5 -","- C53 H68 Cl2 Gd4 N2 O29.5 -","- C53 H68 Cl2 Gd4 N2 O29.5 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Murray, Keith S.","Planar tetranuclear lanthanide clusters with the Dy(4) analogue displaying slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12656","12659","10.1039/c1dt11750e","","","0.71073","MoKα","","0.0382","0.0293","","","0.065","0.0699","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017471","11.1148","0.0003","12.4349","0.0004","13.227","0.0004","79.175","0.002","78.201","0.002","77.741","0.002","1728.65","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H71 Cl2 Dy4 N2 O29.5 -","- C53 H68 Cl2 Dy4 N2 O29.5 -","- C53 H68 Cl2 Dy4 N2 O29.5 -","1","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Murray, Keith S.","Planar tetranuclear lanthanide clusters with the Dy(4) analogue displaying slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12656","12659","10.1039/c1dt11750e","","","0.71073","MoKα","","0.0322","0.0249","","","0.0586","0.0628","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021854","6.285","0.002","9.56","0.003","10.287","0.003","90","","96.845","0.015","90","","613.7","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-tetrafluoridobis(trimethylphosphane oxide-O)silicon(IV)","","- C6 H18 F4 O2 P2 Si -","- C6 H18 F4 O2 P2 Si -","- C12 H36 F8 O4 P4 Si2 -","2","0.5","","George, Kathryn; Hector, Andrew L.; Levason, William; Reid, Gillian; Sanderson, George; Webster, Michael; Zhang, Wenjian","Hypervalent neutral O-donor ligand complexes of silicon tetrafluoride, comparisons with other group 14 tetrafluorides and a search for soft donor ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1584","1593","10.1039/c0dt01115k","","","0.71073","MoKα","","0.0343","0.029","","","0.073","0.0774","","","","","","1.025","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021855","12.6885","0.0015","13.7509","0.0015","14.869","0.002","62.564","0.006","82.697","0.006","80.305","0.006","2266","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","trans-tetrafluoridobis(triphenylphosphane oxide-O)silicon(IV)","","- C36 H30 F4 O2 P2 Si -","- C36 H30 F4 O2 P2 Si -","- C108 H90 F12 O6 P6 Si3 -","3","1.5","","George, Kathryn; Hector, Andrew L.; Levason, William; Reid, Gillian; Sanderson, George; Webster, Michael; Zhang, Wenjian","Hypervalent neutral O-donor ligand complexes of silicon tetrafluoride, comparisons with other group 14 tetrafluorides and a search for soft donor ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1584","1593","10.1039/c0dt01115k","","","0.71073","MoKα","","0.149","0.0822","","","0.132","0.1592","","","","","","1.113","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021856","13.533","0.004","11.142","0.004","14.62","0.004","90","","90","","90","","2204.5","1.2","120","2","120","2","","","","","","","","6","C m c a","-C 2ac 2","64","","tetrafluoro(methanediylbis(dimethylphosphane) dioxide)germanium(IV)","","- C5 H14 F4 Ge O2 P2 -","- C5 H14 F4 Ge O2 P2 -","- C40 H112 F32 Ge8 O16 P16 -","8","","","George, Kathryn; Hector, Andrew L.; Levason, William; Reid, Gillian; Sanderson, George; Webster, Michael; Zhang, Wenjian","Hypervalent neutral O-donor ligand complexes of silicon tetrafluoride, comparisons with other group 14 tetrafluorides and a search for soft donor ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1584","1593","10.1039/c0dt01115k","","","0.71073","MoKα","","0.0844","0.0676","","","0.1357","0.146","","","","","","1.116","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021857","12.87","0.003","13.779","0.003","15.83","0.003","90","","92.748","0.012","90","","2804","1","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","tetrafluoro(bis(diphenylphosphino)methane dioxide)germanium(IV) dichloromethane solvate","","- C26 H24 Cl2 F4 Ge O2 P2 -","- C26 H24 Cl2 F4 Ge O2 P2 -","- C104 H96 Cl8 F16 Ge4 O8 P8 -","4","1","","George, Kathryn; Hector, Andrew L.; Levason, William; Reid, Gillian; Sanderson, George; Webster, Michael; Zhang, Wenjian","Hypervalent neutral O-donor ligand complexes of silicon tetrafluoride, comparisons with other group 14 tetrafluorides and a search for soft donor ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1584","1593","10.1039/c0dt01115k","","","0.71073","MoKα","","0.154","0.0963","","","0.1607","0.1861","","","","","","1.116","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021858","31.36","0.006","5.7109","0.0015","9.488","0.004","90","","95.231","0.015","90","","1692.2","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methanediylbis(dimethylphosphane) dioxide","","- C5 H14 O2 P2 -","- C5 H14 O2 P2 -","- C40 H112 O16 P16 -","8","1","","George, Kathryn; Hector, Andrew L.; Levason, William; Reid, Gillian; Sanderson, George; Webster, Michael; Zhang, Wenjian","Hypervalent neutral O-donor ligand complexes of silicon tetrafluoride, comparisons with other group 14 tetrafluorides and a search for soft donor ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1584","1593","10.1039/c0dt01115k","","","0.71073","MoKα","","0.1057","0.0561","","","0.1229","0.1493","","","","","","1.034","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021859","7.945","0.0005","7.945","0.0005","22.347","0.003","90","","90","","90","","1410.6","0.2","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","Bis(trimethylhydroxoarsonium) hexafluoridosilicate(IV)","","- C6 H20 As2 F6 O2 Si -","- C6 H20 As2 F6 O2 Si -","- C24 H80 As8 F24 O8 Si4 -","4","1","","George, Kathryn; Hector, Andrew L.; Levason, William; Reid, Gillian; Sanderson, George; Webster, Michael; Zhang, Wenjian","Hypervalent neutral O-donor ligand complexes of silicon tetrafluoride, comparisons with other group 14 tetrafluorides and a search for soft donor ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1584","1593","10.1039/c0dt01115k","","","0.71073","MoKα","","0.0412","0.0368","","","0.0793","0.0813","","","","","","1.114","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021860","7.7086","0.0015","12.844","0.003","12.532","0.002","90","","105.119","0.01","90","","1197.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-tetrafluorobis(pyridine 1-oxide)silicon(IV)","","- C10 H10 F4 N2 O2 Si -","- C10 H10 F4 N2 O2 Si -","- C40 H40 F16 N8 O8 Si4 -","4","1","","George, Kathryn; Hector, Andrew L.; Levason, William; Reid, Gillian; Sanderson, George; Webster, Michael; Zhang, Wenjian","Hypervalent neutral O-donor ligand complexes of silicon tetrafluoride, comparisons with other group 14 tetrafluorides and a search for soft donor ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1584","1593","10.1039/c0dt01115k","","","0.71073","MoKα","","0.106","0.0664","","","0.1096","0.1265","","","","","","1.085","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021861","11.7292","0.0003","11.7292","0.0003","27.8342","0.0013","90","","90","","120","","3316.2","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C22 H20 N4 O4 Pd2 -","- C22 H20 N4 O4 Pd2 -","- C132 H120 N24 O24 Pd12 -","6","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","","","0.71073","MoKα","","0.0267","0.026","","","0.0578","0.0582","","","","","","1.064","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021862","14.4947","0.001","12.1565","0.0009","15.8097","0.0011","90","","99.488","0.001","90","","2747.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 N2 O2 Pd -","- C16 H12 N2 O2 Pd -","- C128 H96 N16 O16 Pd8 -","8","2","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","","","0.71073","MoKα","","0.0627","0.059","","","0.1362","0.1385","","","","","","1.217","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021863","8.8527","0.0007","12.4569","0.001","13.7577","0.0011","90","","95.188","0.001","90","","1510.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 Pd S2 -","- C14 H17 N3 Pd S2 -","- C56 H68 N12 Pd4 S8 -","4","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","","","0.71073","MoKα","","0.0338","0.0336","","","0.0814","0.0816","","","","","","1.118","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021864","11.1797","0.0005","17.5215","0.0007","26.8062","0.0011","90","","90","","90","","5250.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N8 Pd2 S2 -","- C26 H24 N8 Pd2 S2 -","- C208 H192 N64 Pd16 S16 -","8","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","","","0.71073","MoKα","","0.0451","0.0419","","","0.0901","0.0915","","","","","","1.209","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021865","8.9145","0.0004","10.8879","0.0004","15.3871","0.0008","103.079","0.001","90.541","0.001","107.235","0.001","1384.71","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl2 N6 O4 Pd2 -","- C27 H24 Cl2 N6 O4 Pd2 -","- C54 H48 Cl4 N12 O8 Pd4 -","2","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","","","0.71073","MoKα","","0.0368","0.0343","","","0.0856","0.0876","","","","","","0.911","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021866","23.3603","0.0005","8.95252","0.00017","11.5684","0.0002","90","","104.074","0.0014","90","","2346.72","0.08","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 N8 Pd2 -","- C24 H20 N8 Pd2 -","- C96 H80 N32 Pd8 -","4","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","powder diffraction","","0.824","","","","","","","","","","8.0273","","","","","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021867","6.27758","","5.35136","","4.97208","","90","","90","","90","","167.03","","","","","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Fe Li2 O4 Si -","- Fe Li2 O4 Si -","- Fe2 Li4 O8 Si2 -","2","0.5","","Yabuuchi, Naoaki; Yamakawa, Yuto; Yoshii, Kazuhiro; Komaba, Shinichi","Low-temperature phase of Li2FeSiO4: crystal structure and a preliminary study of electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1846","1848","10.1039/c0dt01523g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030384","10.239","0.003","12.112","0.004","14.7","0.005","88.667","0.009","86.512","0.007","73.32","0.008","1743","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H52 F24 N14 P4 Ru2 -","- C64 H52 F24 N14 P4 Ru2 -","- C64 H52 F24 N14 P4 Ru2 -","1","0.5","","Wei, Qiao-Hua; Lei, Yan-Fang; Duan, Ya-Nan; Xiao, Fan-Nan; Li, Mei-Jin; Chen, Guo-Nan","Mono- and dinuclear Ru(II) complexes of 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): synthesis, structure, photophysical properties and electrochemiluminescent determination of diuretic furosemide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11636","11642","10.1039/c1dt11163a","","","0.71073","MoKα","","0.1002","0.0681","","","0.1998","0.2632","","","","","","1.054","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7052530","14.5103","0.0002","28.8821","0.0004","10.2616","0.0001","90","","92.184","0.004","90","","4297.39","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","2,4-di-tert-butyl-6-((1-hydroxy-cyclohexylmethylimino)- methyl)-phenol","2,4-di-tert-butyl-6-[(1-hydroxy-cyclohexylmethylimino)-methyl]-phenol","","- C22 H35 N O2 -","- C22 H35 N O2 -","- C176 H280 N8 O16 -","8","2","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.1297","0.0634","","","0.1604","0.191","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052531","9.027","0.0018","6.23","0.0012","22.198","0.004","90","","90","","90","","1248.4","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-(((1-hydroxycyclohexyl)methylimino)methyl) phenol","2-{[(1-hydroxycyclohexyl)methylimino]methyl} phenol","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.0869","0.0532","","","0.1095","0.1413","","","","","","1.165","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052532","10.0724","0.0002","8.267","0.0017","11.7803","0.0002","90","","111.75","0.03","90","","911.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(1-(2-hydroxyethylimino)ethyl)phenol","2-[1-(2-hydroxyethylimino)ethyl]phenol","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.0531","0.035","","","0.0951","0.1049","","","","","","1.047","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052533","10.2518","0.0002","10.4845","0.0002","19.6987","0.0004","95.9376","0.0007","104.155","0.0008","92.2975","0.0008","2037.31","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,4-ditertbutyl-6-((2-hydroxymethylphenylimino)methyl) phenol","2,4-ditertbutyl-6-[(2-hydroxymethylphenylimino)methyl] phenol","","- C22 H29 N O2 -","- C22 H29.0005 N O2.0005 -","- C88 H116.002 N4 O8.002 -","4","2","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.1378","0.0719","","","0.1864","0.2251","","","","","","1.033","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052534","9.5103","0.0002","12.8864","0.0004","15.2106","0.0004","97.8703","0.0011","107.113","0.001","100.48","0.0014","1715.51","0.08","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","2-((4-Chloro-2-hydroxymethyl-phenylimino)-methyl)-5- diethylamino-phenol","2-[(4-Chloro-2-hydroxymethyl-phenylimino)-methyl]-5-diethylamino-phenol","","- C18 H21 Cl N2 O2 -","- C18 H21 Cl N2 O2 -","- C72 H84 Cl4 N8 O8 -","4","2","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.1352","0.0858","","","0.238","0.2786","","","","","","1.092","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052535","6.1478","0.0002","7.5477","0.0002","36.0798","0.0001","90","","90","","90","","1674.17","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,2S)-2-((2-hydroxy-1,2-diphenyl-ethylimino)-methyl)-phenol","(1R,2S)-2-[(2-hydroxy-1,2-diphenyl-ethylimino)-methyl]-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.094","0.0499","","","0.1158","0.1488","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052536","6.1083","0.0002","10.3445","0.0004","12.3439","0.0005","93.254","0.002","100.417","0.002","92.94","0.002","764.38","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","2-(((1S,2R)-1-hydroxy-1-phenylpropan-2-ylimino)methyl)-4- nitrophenol","2-[{(1S,2R)-1-hydroxy-1-phenylpropan-2-ylimino}methyl]-4-nitrophenol","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","2","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.0886","0.0613","","","0.1613","0.1787","","","","","","1.012","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052537","7.2044","0.0002","9.3402","0.0002","12.3377","0.0003","69.1986","0.001","80.3396","0.0009","75.9081","0.0009","749.7","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","2-(((1S,2R)-1-hydroxy-1-phenylpropan-2-ylimino)methyl)-4- bromophenol","2-[{(1S,2R)-1-hydroxy-1-phenylpropan-2-ylimino}methyl]-4-bromophenol","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C32 H32 Br2 N2 O4 -","2","2","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.0557","0.0432","","","0.108","0.1158","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052538","12.5495","0.0004","24.3646","0.0007","13.2411","0.0004","90","","108.412","0.001","90","","3841.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H124 B4 Li2 N4 Nd2 O6 -","- C71 H124 B4 Li2 N4 Nd2 O6 -","- C142 H248 B8 Li4 N8 Nd4 O12 -","2","0.5","","Sinenkov, Mikhail A.; Fukin, Georgy K.; Cherkasov, Anton V.; Ajellal, Noureddine; Roisnel, Thierry; Kerton, Francesca M.; Carpentier, Jean-François; Trifonov, Alexander A.","Neodymium borohydride complexes supported by diamino-bis(phenoxide) ligands: diversity of synthetic and structural chemistry, and catalytic activity in ring-opening polymerization of cyclic esters","New Journal of Chemistry","2011","35","1","204","","10.1039/c0nj00486c","","","0.71073","MoKα","","0.0451","0.0292","","","0.0622","0.0662","","","","","","1","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052539","15.0652","0.0008","18.92","0.001","26.4699","0.0015","90","","92.549","0.001","90","","7537.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H122 Li N4 Nd O4 -","- C74 H122 Li N4 Nd O4 -","- C296 H488 Li4 N16 Nd4 O16 -","4","1","","Sinenkov, Mikhail A.; Fukin, Georgy K.; Cherkasov, Anton V.; Ajellal, Noureddine; Roisnel, Thierry; Kerton, Francesca M.; Carpentier, Jean-François; Trifonov, Alexander A.","Neodymium borohydride complexes supported by diamino-bis(phenoxide) ligands: diversity of synthetic and structural chemistry, and catalytic activity in ring-opening polymerization of cyclic esters","New Journal of Chemistry","2011","35","1","204","","10.1039/c0nj00486c","","","0.71073","MoKα","","0.1127","0.0717","","","0.1863","0.2125","","","","","","1.069","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052540","9.744","0.005","14.106","0.005","15.815","0.005","73.379","0.005","80.941","0.005","85.697","0.005","2055.9","1.4","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38 H62 B2 Li N2 Nd O4 -","- C38 H62 B2 Li N2 Nd O4 -","- C76 H124 B4 Li2 N4 Nd2 O8 -","2","1","","Sinenkov, Mikhail A.; Fukin, Georgy K.; Cherkasov, Anton V.; Ajellal, Noureddine; Roisnel, Thierry; Kerton, Francesca M.; Carpentier, Jean-François; Trifonov, Alexander A.","Neodymium borohydride complexes supported by diamino-bis(phenoxide) ligands: diversity of synthetic and structural chemistry, and catalytic activity in ring-opening polymerization of cyclic esters","New Journal of Chemistry","2011","35","1","204","","10.1039/c0nj00486c","","x-ray","0.71073","MoKα","","0.0334","0.0283","","","0.067","0.0708","","","","","","1.06","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052541","9.248","0.0004","11.408","0.0007","11.721","0.0008","76.248","0.003","71.031","0.004","78.739","0.003","1126.49","0.12","120","1","120","1","","","","","","","","7","P -1","-P 1","2","Compound X","","","- C40 H58 Cl2 O6 P2 Pd Si2 -","- C40 H58 Cl2 O6 P2 Pd Si2 -","- C40 H58 Cl2 O6 P2 Pd Si2 -","1","0.5","","Linares, Noemi; Sepúlveda, Angel E.; Pacheco, María C.; Berenguer, Jesús R.; Lalinde, Elena; Nájera, Carmen; Garcia-Martinez, Javier","Synthesis of mesoporous metal complex-silica materials and their use as solvent-free catalysts","New Journal of Chemistry","2011","35","1","225","","10.1039/c0nj00509f","","","0.71073","MoKα","","0.0538","0.0378","","","0.078","0.0839","","","","","","1.013","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052542","9.4118","0.0019","18.517","0.004","11.063","0.002","90","","93.02","0.03","90","","1925.4","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl6 N4 Ni2 -","- C38 H42 Cl6 N4 Ni2 -","- C76 H84 Cl12 N8 Ni4 -","2","0.5","","Yu, Jiangang; Hu, Xinquan; Zeng, Yanning; Zhang, Liping; Ni, Caihua; Hao, Xiang; Sun, Wen-Hua","Synthesis, characterisation and ethylene oligomerization behaviour of N-(2-substituted-5,6,7-trihydroquinolin-8-ylidene)arylaminonickel dichlorides","New Journal of Chemistry","2011","35","1","178","","10.1039/c0nj00516a","","","0.71073","MoKα","","","0.0845","","","0.1972","0.2036","","","","","","1.347","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052543","11.597","0.002","17.402","0.004","12.326","0.003","90","","99.83","0.03","90","","2451","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl3 N2 Ni O -","- C23 H31 Cl3 N2 Ni O -","- C92 H124 Cl12 N8 Ni4 O4 -","4","1","","Yu, Jiangang; Hu, Xinquan; Zeng, Yanning; Zhang, Liping; Ni, Caihua; Hao, Xiang; Sun, Wen-Hua","Synthesis, characterisation and ethylene oligomerization behaviour of N-(2-substituted-5,6,7-trihydroquinolin-8-ylidene)arylaminonickel dichlorides","New Journal of Chemistry","2011","35","1","178","","10.1039/c0nj00516a","","","0.71073","MoKα","","","0.1587","","","0.3174","0.333","","","","","","1.412","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052544","15.896","0.003","16.77","0.003","18.79","0.004","90","","90","","90","","5009","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H30 Cl2 N2 Ni -","- C27 H30 Cl2 N2 Ni -","- C216 H240 Cl16 N16 Ni8 -","8","1","","Yu, Jiangang; Hu, Xinquan; Zeng, Yanning; Zhang, Liping; Ni, Caihua; Hao, Xiang; Sun, Wen-Hua","Synthesis, characterisation and ethylene oligomerization behaviour of N-(2-substituted-5,6,7-trihydroquinolin-8-ylidene)arylaminonickel dichlorides","New Journal of Chemistry","2011","35","1","178","","10.1039/c0nj00516a","","","0.71073","MoKα","","","0.1399","","","0.2849","0.2953","","","","","","1.463","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052545","31.488","0.006","10.033","0.002","15.549","0.003","90","","102.2","0.03","90","","4801.3","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cl2 N2 Ni -","- C26 H28 Cl2 N2 Ni -","- C208 H224 Cl16 N16 Ni8 -","8","1","","Yu, Jiangang; Hu, Xinquan; Zeng, Yanning; Zhang, Liping; Ni, Caihua; Hao, Xiang; Sun, Wen-Hua","Synthesis, characterisation and ethylene oligomerization behaviour of N-(2-substituted-5,6,7-trihydroquinolin-8-ylidene)arylaminonickel dichlorides","New Journal of Chemistry","2011","35","1","178","","10.1039/c0nj00516a","","","0.71073","MoKα","","","0.0908","","","0.157","0.1591","","","","","","1.377","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052546","10.302","0.002","11.513","0.003","11.737","0.002","66.37","0.03","64.29","0.04","87.93","0.03","1133","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 Br2 Cl6 N4 O8 Tb2 -","- C36 H46 Br2 Cl6 N4 O8 Tb2 -","- C36 H46 Br2 Cl6 N4 O8 Tb2 -","1","0.5","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.0377","0.0323","","","0.0804","0.0827","","","","","","1.084","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052547","10.201","0.002","11.683","0.003","11.701","0.002","64.8","0.03","64.79","0.04","86.63","0.03","1128.7","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 Br2 Cl6 Er2 N4 O8 -","- C36 H46 Br2 Cl6 Er2 N4 O8 -","- C36 H46 Br2 Cl6 Er2 N4 O8 -","1","0.5","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.0567","0.0399","","","0.093","0.1006","","","","","","1.013","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052548","12.326","0.003","23.037","0.005","7.3627","0.0015","90","","98.52","0.03","90","","2067.6","0.8","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Br2 Cl6 Gd2 N4 O8 -","- C32 H38 Br2 Cl6 Gd2 N4 O8 -","- C64 H76 Br4 Cl12 Gd4 N8 O16 -","2","0.5","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.1024","0.077","","","0.1942","0.2085","","","","","","1.023","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052549","9.547","0.0019","11.51","0.002","11.745","0.002","64.26","0.03","67.15","0.04","85.79","0.03","1064.2","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H38 Br2 Cl6 N4 O8 Yb2 -","- C32 H38 Br2 Cl6 N4 O8 Yb2 -","- C32 H38 Br2 Cl6 N4 O8 Yb2 -","1","0.5","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.0872","0.0515","","","0.114","0.1318","","","","","","1.008","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052550","8.7927","0.0018","18.011","0.004","26.437","0.005","93.16","0.03","94.13","0.04","92.89","0.03","4163.3","1.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H26 Br2 Cl3 Eu N4 O7 -","- C29 H26 Br2 Cl3 Eu N4 O7 -","- C116 H104 Br8 Cl12 Eu4 N16 O28 -","4","2","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.173","0.0917","","","0.1697","0.1951","","","","","","1.009","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052551","7.8838","0.0016","14.174","0.003","16.683","0.003","98.85","0.03","99.52","0.04","99.55","0.03","1781.3","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H44 Br4 Cl6 Er2 N8 O17 -","- C56 H44 Br4 Cl6 Er2 N8 O17 -","- C56 H44 Br4 Cl6 Er2 N8 O17 -","1","0.5","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.0608","0.0491","","","0.1121","0.119","","","","","","1.175","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052552","8.0269","0.0016","14.719","0.003","16.14","0.003","97.7","0.03","94.74","0.04","104.75","0.03","1813.8","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H44 Br4 Cl6 N8 O17 Yb2 -","- C56 H44 Br4 Cl6 N8 O17 Yb2 -","- C56 H44 Br4 Cl6 N8 O17 Yb2 -","1","0.5","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.0495","0.0408","","","0.1046","0.1113","","","","","","1.043","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052553","17.803","0.004","22.524","0.005","16.122","0.003","90","","99.51","0.03","90","","6376","2","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Br4 Cl3 N8 Nd O13 -","- C60 H60 Br4 Cl3 N8 Nd O13 -","- C240 H240 Br16 Cl12 N32 Nd4 O52 -","4","0.5","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.1221","0.0561","","","0.1046","0.127","","","","","","1.019","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052554","17.595","0.004","22.565","0.005","16.06","0.003","90","","99.41","0.03","90","","6291","2","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Br4 Cl3 Gd N8 O13 -","- C60 H60 Br4 Cl3 Gd N8 O13 -","- C240 H240 Br16 Cl12 Gd4 N32 O52 -","4","0.5","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.0518","0.0338","","","0.0733","0.08","","","","","","1.018","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052555","17.72","0.004","22.332","0.005","16.13","0.003","90","","99.52","0.03","90","","6295","2","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Br4 Cl3 Eu N8 O13 -","- C60 H60 Br4 Cl3 Eu N8 O13 -","- C240 H240 Br16 Cl12 Eu4 N32 O52 -","4","0.5","","Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.","Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding","New Journal of Chemistry","2011","35","2","310","","10.1039/c0nj00518e","","","0.71073","MoKα","","0.0539","0.0355","","","0.0816","0.0881","","","","","","1.033","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052556","13.295","0.001","20.188","0.001","9.613","0.001","90","","120.191","0.006","90","","2230.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H34 Cu4 Mo8 N12 O27 -","- C20 H32 Cu4 Mo8 N12 O27 -","- C40 H64 Cu8 Mo16 N24 O54 -","2","0.25","","Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Wang, Hui-Yuan; Chen, Ya-Guang","Three 3D octamolybdate-based hybrids with 1D‒3D CuI/CuII-bis(triazole) motifs: influence of the amount of Et3N","New Journal of Chemistry","2011","35","1","190","","10.1039/c0nj00542h","","","0.71069","MoKα","","0.0542","0.032","","","0.0661","0.0681","","","","","","1.024","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052557","12.481","0.003","12.862","0.004","13.332","0.004","100.001","0.002","105.253","0.002","111.736","0.003","1828.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 Cu2 Mo8 N24 O26 -","- C40 H64 Cu2 Mo8 N24 O26 -","- C40 H64 Cu2 Mo8 N24 O26 -","1","0.5","","Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Wang, Hui-Yuan; Chen, Ya-Guang","Three 3D octamolybdate-based hybrids with 1D‒3D CuI/CuII-bis(triazole) motifs: influence of the amount of Et3N","New Journal of Chemistry","2011","35","1","190","","10.1039/c0nj00542h","","","0.71069","MoKα","","0.0533","0.0326","","","0.066","0.0678","","","","","","0.96","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052558","10.85","0.001","12.843","0.001","14.74","0.001","112.112","0.005","100.83","0.004","98.902","0.004","1810.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 Cu4 Mo8 N24 O26 -","- C40 H64 Cu4 Mo8 N24 O26 -","- C40 H64 Cu4 Mo8 N24 O26 -","1","0.5","","Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Wang, Hui-Yuan; Chen, Ya-Guang","Three 3D octamolybdate-based hybrids with 1D‒3D CuI/CuII-bis(triazole) motifs: influence of the amount of Et3N","New Journal of Chemistry","2011","35","1","190","","10.1039/c0nj00542h","","","0.71069","MoKα","","0.1646","0.0596","","","0.0774","0.0851","","","","","","1.028","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052559","11.724","0.002","12.829","0.002","11.745","0.002","90","","90","","90","","1766.5","0.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C6 H12 Cu I N2 -","- C6 H12 Cu I N2 -","- C48 H96 Cu8 I8 N16 -","8","","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Mazzeo, Paolo P.; Ventura, Barbara","Solid-state reactivity of copper(i) iodide: luminescent 2D-coordination polymers of CuI with saturated bidentate nitrogen bases","New Journal of Chemistry","2011","35","2","339","","10.1039/c0nj00547a","","","0.71073","MoKα","","0.0516","0.0395","","","0.1061","0.1112","","","","","","1.096","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052560","10.1972","0.0007","12.1811","0.0006","6.7879","0.0005","90","","120.25","0.01","90","","728.34","0.11","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H10 Cu I N2 -","- C4 H10 Cu I N2 -","- C16 H40 Cu4 I4 N8 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Mazzeo, Paolo P.; Ventura, Barbara","Solid-state reactivity of copper(i) iodide: luminescent 2D-coordination polymers of CuI with saturated bidentate nitrogen bases","New Journal of Chemistry","2011","35","2","339","","10.1039/c0nj00547a","","","0.71073","MoKα","","0.0225","0.0202","","","0.0467","0.0473","","","","","","1.111","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052561","10.315","0.002","12.217","0.0001","6.859","0.001","90","","120.69","0.002","90","","743.3","0.18","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H10 Cu I N2 -","- C4 H10 Cu I N2 -","- C16 H40 Cu4 I4 N8 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Mazzeo, Paolo P.; Ventura, Barbara","Solid-state reactivity of copper(i) iodide: luminescent 2D-coordination polymers of CuI with saturated bidentate nitrogen bases","New Journal of Chemistry","2011","35","2","339","","10.1039/c0nj00547a","","","0.71073","MoKα","","0.0246","0.0208","","","0.0492","0.0499","","","","","","0.987","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052562","25.726","0.002","28.737","0.003","9.0939","0.0008","90","","90","","90","","6723","1.1","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H10 Br2 F4 S2 -","- C16 H10 Br2 F4 S2 -","- C256 H160 Br32 F64 S32 -","16","1","","Xia, Jian-Long; Zhang, Chan; Zhu, Xingxun; Ou, Yaping; Jin, Guo-Jun; Yu, Guang-ao; Liu, Sheng Hua","Substituted diethynyldithia[3.3]paracyclophanes—synthetically more accessible new building blocks for molecular scaffolding","New Journal of Chemistry","2011","35","1","97","","10.1039/c0nj00553c","","","0.71073","MoKα","","0.0955","0.0754","","","0.1728","0.1829","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052563","15.8717","0.0003","9.4064","0.0002","17.3535","0.0004","90","","140.512","0.001","90","","1647.53","0.07","293","2","293","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","4-oxopimelic acid 4,4'-bipyridine","4-oxo-heptane-1,7-dioic acid 4,4'-bipyridine","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Halasz, Ivan; Rubčić, Mirta; Užarević, Krunoslav; Đilović, Ivica; Meštrović, Ernest","The cocrystal of 4-oxopimelic acid and 4,4′-bipyridine: polymorphism and solid-state transformations","New Journal of Chemistry","2011","35","1","24","","10.1039/c0nj00569j","","","0.71073","MoKα","","0.0589","0.0436","","","0.1112","0.1264","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052564","7.583","0.003","8.752","0.002","24.527","0.006","90","","92.29","0.03","90","","1626.5","0.8","293","2","293","2","","","","","","","chemical synthesis","4","C 1 2/c 1","-C 2yc","15","4-oxo-heptane-1,7-dioic acid 4,4'-bipyridine","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","0.5","","Halasz, Ivan; Rubčić, Mirta; Užarević, Krunoslav; Đilović, Ivica; Meštrović, Ernest","The cocrystal of 4-oxopimelic acid and 4,4′-bipyridine: polymorphism and solid-state transformations","New Journal of Chemistry","2011","35","1","24","","10.1039/c0nj00569j","","","0.71073","MoKα","","0.0735","0.0562","","","0.1566","0.1765","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052565","11.4051","0.0003","19.155","0.0005","26.914","0.001","90","","90","","90","","5879.8","0.3","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C90 H8 Cl6 F24 -","- C90 H8 Cl6 F24 -","- C360 H32 Cl24 F96 -","4","0.5","","Goryunkov, Alexey A.; Samokhvalova, Nadezhda A.; Khavrel, Pavel A.; Belov, Nikita M.; Markov, Vitaliy Yu.; Sidorov, Lev N.; Troyanov, Sergey I.","Regioselective near-equatorial chlorination of Cs-C70(CF3)8","New Journal of Chemistry","2011","35","1","32","","10.1039/c0nj00591f","","","0.905","synchrotron","","0.1015","0.0944","","","0.2129","0.2132","","","","","","1.135","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052566","11.5487","0.0007","16.1638","0.0009","16.4446","0.0011","113.729","0.002","92.529","0.002","95.793","0.002","2783.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4.2ETPY","","","- C123 H135 N7 O20 -","- C123 H135 N7 O20 -","- C123 H135 N7 O20 -","1","0.5","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Calixarene nanotubes: structural tolerance towards pyridine templates","New Journal of Chemistry","2011","35","1","28","","10.1039/c0nj00605j","","","0.71073","MoKα","","0.0647","0.048","","","0.1235","0.1348","","","","","","1.033","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052567","46.4651","0.0011","46.4651","0.0011","12.0334","0.0003","90","","90","","120","","22499.5","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","4.2Pic","","","- C43 H42 N O10 -","- C43 H42.01 N O10 -","- C774 H756.18 N18 O180 -","18","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Calixarene nanotubes: structural tolerance towards pyridine templates","New Journal of Chemistry","2011","35","1","28","","10.1039/c0nj00605j","","","0.7749","synchrotron","","0.1219","0.1118","","","0.322","0.3288","","","","","","2.584","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052568","11.2763","0.0014","7.4688","0.0009","17.26","0.002","90","","103.039","0.003","90","","1416.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Adak, Laksmikanta; Bhadra, Sukalyan; Chattopadhyay, Kalicharan; Ranu, Brindaban C.","Amphiphilic allylation of activated alkenes by allyl acetates and allylstannanes catalyzed by palladium nanoparticles: an easy access to stereodefined substituted cyclohexene derivatives","New Journal of Chemistry","2011","35","2","430","","10.1039/c0nj00624f","","","0.71073","MoKα","","0.0575","0.0394","","","0.1162","0.1326","","","","","","0.882","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052569","9.031","0.008","7.178","0.006","21.954","0.018","90","","93.07","0.02","90","","1421","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 S -","- C14 H11 N2 O2 S -","- C56 H44 N8 O8 S4 -","4","1","","Adak, Laksmikanta; Bhadra, Sukalyan; Chattopadhyay, Kalicharan; Ranu, Brindaban C.","Amphiphilic allylation of activated alkenes by allyl acetates and allylstannanes catalyzed by palladium nanoparticles: an easy access to stereodefined substituted cyclohexene derivatives","New Journal of Chemistry","2011","35","2","430","","10.1039/c0nj00624f","","","0.71073","MoKα","","0.148","0.1208","","","0.3785","0.4144","","","","","","1.644","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052570","12.8437","0.0014","8.3562","0.0009","25.59","0.003","90","","90.944","0.002","90","","2746.1","0.5","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C10 H6 Ag F3 N4 O4 S -","- C10 H6 Ag F3 N4 O4 S -","- C80 H48 Ag8 F24 N32 O32 S8 -","8","2","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.1157","0.0595","","","0.1542","0.1883","","","","","","1.054","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052571","9.7425","0.0009","20.2668","0.0019","8.0361","0.0008","90","","90","","90","","1586.7","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag3 N7 O8 S -","- C8 H6 Ag3 N7 O8 S -","- C32 H24 Ag12 N28 O32 S4 -","4","0.5","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.0631","0.0472","","","0.1317","0.144","","","","","","1.061","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052572","7.8459","0.0008","11.2785","0.0012","14.4645","0.0015","90","","90","","90","","1280","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Ag Cl N4 O6 S -","- C8 H6 Ag Cl N4 O6 S -","- C32 H24 Ag4 Cl4 N16 O24 S4 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.0405","0.0344","","","0.0887","0.0927","","","","","","1.074","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052573","12.178","0.005","8.01","0.003","14.622","0.006","90","","90","","90","","1426.3","1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C9 H6 Ag F3 N4 O5 S2 -","- C9 H6 Ag F3 N4 O5 S2 -","- C36 H24 Ag4 F12 N16 O20 S8 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.1024","0.0585","","","0.1341","0.1655","","","","","","1.065","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052574","7.7095","0.0012","10.914","0.0017","14.571","0.002","90","","90","","90","","1226","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Ag N5 O5 S -","- C8 H6 Ag N5 O5 S -","- C32 H24 Ag4 N20 O20 S4 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.0498","0.0368","","","0.0807","0.0872","","","","","","1.024","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052575","5.7845","0.001","7.2446","0.0013","22.243","0.004","90","","92.951","0.004","90","","930.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O2 S -","- C8 H6 N4 O2 S -","- C32 H24 N16 O8 S4 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.0595","0.0436","","","0.11","0.1197","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052576","15.7241","0.0009","29.528","0.0018","11.3464","0.0007","90","","90.798","0.001","90","","5267.6","0.5","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato- κ^2^O,O')ytterbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)(Ag—W)-di-μ-sulfido]]","","- C24 H72 Ag N14 O10 P4 S4 W Yb -","- C24 H72 Ag N14 O10 P4 S4 W Yb -","- C96 H288 Ag4 N56 O40 P16 S16 W4 Yb4 -","4","1","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Yang, Junyi; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Syntheses and NLO properties of 1D heterothiometallic anionic W/S/Ag clusters possessing solvento-ytterbium cation-directed isomeric skeletons","New Journal of Chemistry","2011","35","2","328","","10.1039/c0nj00674b","","","0.7107","MoKα","","0.0354","0.0325","","","0.0674","0.0686","","","","","","1.179","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052577","15.409","0.003","18.605","0.004","18.404","0.004","90","","102.37","0.03","90","","5154","2","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H90 Ag6 O15 S39 W6 Yb2 -","- C30 H78 Ag6 O15 S39 W6 Yb2 -","- C60 H156 Ag12 O30 S78 W12 Yb4 -","2","1","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Yang, Junyi; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Syntheses and NLO properties of 1D heterothiometallic anionic W/S/Ag clusters possessing solvento-ytterbium cation-directed isomeric skeletons","New Journal of Chemistry","2011","35","2","328","","10.1039/c0nj00674b","","","0.71073","MoKα","","0.0258","0.0249","","","0.0452","0.0456","","","","","","0.957","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052578","12.873","0.003","27.479","0.005","19.866","0.006","90","","126.04","0.02","90","","5682","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Ag3 N8 O8 S12 W3 Yb -","- C24 H38 Ag3 N8 O8 S12 W3 Yb -","- C96 H152 Ag12 N32 O32 S48 W12 Yb4 -","4","1","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Yang, Junyi; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Syntheses and NLO properties of 1D heterothiometallic anionic W/S/Ag clusters possessing solvento-ytterbium cation-directed isomeric skeletons","New Journal of Chemistry","2011","35","2","328","","10.1039/c0nj00674b","","","0.71073","MoKα","","0.182","0.0661","","","0.1678","0.219","","","","","","1.058","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052579","15.7241","0.0009","29.528","0.0018","11.3464","0.0007","90","","90.798","0.001","90","","5267.6","0.5","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H72 Ag N14 O10 P4 S4 W Yb -","- C24 H72 Ag N14 O10 P4 S4 W Yb -","- C96 H288 Ag4 N56 O40 P16 S16 W4 Yb4 -","4","1","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Yang, Junyi; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Syntheses and NLO properties of 1D heterothiometallic anionic W/S/Ag clusters possessing solvento-ytterbium cation-directed isomeric skeletons","New Journal of Chemistry","2011","35","2","328","","10.1039/c0nj00674b","","","0.7107","MoKα","","0.0338","0.0308","","","0.0613","0.0624","","","","","","1.195","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052580","8.1091","0.0004","10.3382","0.0005","12.6053","0.0006","70.963","0.001","81.468","0.001","73.538","0.001","956.18","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Ag N5 O5 -","- C22 H12 Ag N5 O5 -","- C44 H24 Ag2 N10 O10 -","2","1","","Massoud, Alshima'a A.; Gohar, Yousry M.; Langer, Vratislav; Lincoln, Per; Svensson, Frida R.; Jänis, Janne; Gårdebjer, Sofie T.; Haukka, Matti; Jonsson, Fabian; Aneheim, Emma; Löwenhielm, Peter; Abu-Youssef, Morsy A. M.; Öhrström, Lars R.","Bis 4,5-diazafluoren-9-one silver(i) nitrate: synthesis, X-ray structures, solution chemistry, hydrogel loading, DNA coupling and anti-bacterial screening","New Journal of Chemistry","2011","35","3","640","","10.1039/c0nj00697a","","","0.71073","MoKα","","0.0485","0.0327","","","0.0767","0.0822","","","","","","1.013","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052581","7.4881","0.001","11.3498","0.0015","13.2259","0.0017","65.156","0.003","88.861","0.003","85.58","0.003","1016.9","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Ag N5 O6 -","- C22 H14 Ag N5 O6 -","- C44 H28 Ag2 N10 O12 -","2","1","","Massoud, Alshima'a A.; Gohar, Yousry M.; Langer, Vratislav; Lincoln, Per; Svensson, Frida R.; Jänis, Janne; Gårdebjer, Sofie T.; Haukka, Matti; Jonsson, Fabian; Aneheim, Emma; Löwenhielm, Peter; Abu-Youssef, Morsy A. M.; Öhrström, Lars R.","Bis 4,5-diazafluoren-9-one silver(i) nitrate: synthesis, X-ray structures, solution chemistry, hydrogel loading, DNA coupling and anti-bacterial screening","New Journal of Chemistry","2011","35","3","640","","10.1039/c0nj00697a","","","0.71073","MoKα","","0.0729","0.0434","","","0.1018","0.1156","","","","","","0.999","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052582","7.856","0.002","7.767","0.002","17.596","0.006","90","","95.93","0.02","90","","1067.9","0.5","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","E,E-1-(2-(4-nitrophenyl)ethenyl)-4-(2-(3,4,5- trimethoxyphenyl)ethenyl)benzene","E,E-1-[2-(4-nitrophenyl)ethenyl]-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C50 H46 N2 O10 -","2","1","","Collas, Alain; Borger, Roeland De; Amanova, Tatyana; Vande Velde, Christophe M. L.; Baeke, Jan K.; Dommisse, Roger; Alsenoy, Christian Van; Blockhuys, Frank","Asymmetrically substituted distyrylbenzenes and their polar crystal structures","New Journal of Chemistry","2011","35","3","649","","10.1039/c0nj00732c","","","0.71073","MoKα","","0.1057","0.0449","","","0.1091","0.1356","","","","","","1.047","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052583","10.221","0.002","15.239","0.003","15.762","0.004","117.42","0.02","92.26","0.02","93.52","0.02","2168.8","0.9","300","2","300","2","","","","","","","","4","P -1","-P 1","2","(E,E)-1-(2-(4-nitrophenyl)ethenyl)-4-(2-(3,4,5- trimethoxyphenyl)ethenyl)benzene","(E,E)-1-[2-(4-nitrophenyl)ethenyl]-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C100 H92 N4 O20 -","4","2","","Collas, Alain; Borger, Roeland De; Amanova, Tatyana; Vande Velde, Christophe M. L.; Baeke, Jan K.; Dommisse, Roger; Alsenoy, Christian Van; Blockhuys, Frank","Asymmetrically substituted distyrylbenzenes and their polar crystal structures","New Journal of Chemistry","2011","35","3","649","","10.1039/c0nj00732c","","","0.71073","MoKα","","0.1854","0.061","","","0.1414","0.1858","","","","","","0.978","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052584","7.219","0.002","7.402","0.002","18.163","0.005","90","","95.29","0.03","90","","966.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(E,E)-1-(2-(4-nitrophenyl)ethenyl)-4-(2-(3,5- dimethoxyphenyl)ethenyl)benzene","(E,E)-1-[2-(4-nitrophenyl)ethenyl]-4-[2-(3,5-dimethoxyphenyl)ethenyl]benzene","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Collas, Alain; Borger, Roeland De; Amanova, Tatyana; Vande Velde, Christophe M. L.; Baeke, Jan K.; Dommisse, Roger; Alsenoy, Christian Van; Blockhuys, Frank","Asymmetrically substituted distyrylbenzenes and their polar crystal structures","New Journal of Chemistry","2011","35","3","649","","10.1039/c0nj00732c","","","0.71073","MoKα","","0.0875","0.0594","","","0.1419","0.1752","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052585","10.203","0.003","12.411","0.002","18.442","0.002","74.35","0.01","82.49","0.03","70.76","0.03","2120.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(E,E)-1-(2-(4-cyanophenyl)ethenyl)-4-(2-(2,4,6- trimethoxyphenyl)ethenyl)benzene","(E,E)-1-[2-(4-cyanophenyl)ethenyl]-4-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","2","","Collas, Alain; Borger, Roeland De; Amanova, Tatyana; Vande Velde, Christophe M. L.; Baeke, Jan K.; Dommisse, Roger; Alsenoy, Christian Van; Blockhuys, Frank","Asymmetrically substituted distyrylbenzenes and their polar crystal structures","New Journal of Chemistry","2011","35","3","649","","10.1039/c0nj00732c","","","0.71073","MoKα","","0.1643","0.0661","","","0.1632","0.2033","","","","","","1.004","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052586","19.3122","0.0004","16.5116","0.0003","25.1186","0.0005","90","","90","","90","","8009.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(E,E)-((diethyl-2,2'-(1,2- phenylenebis(iminomethylidyne))bis(3-oxo-3-phenyl-propanato)(2-)- N,N',O$3!,O$3!')(1,3-bis(4-pyridyl) propane)iron(ii)","(E,E)-[{diethyl-2,2'-[1,2-phenylenebis(iminomethylidyne)]bis[3-oxo-3-phenyl- propanato](2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'}(1,3-bis(4-pyridyl) propane)iron(II)","","- C43.54 H42.17 Fe N4 O6.54 -","- C43.542 H42.168 Fe N4 O6.542 -","- C348.336 H337.344 Fe8 N32 O52.336 -","8","1","","Pfaffeneder, Toni M.; Thallmair, Sebastian; Bauer, Wolfgang; Weber, Birgit","Complete and incomplete spin transitions in 1D chain iron(ii) compounds","New Journal of Chemistry","2011","35","3","691","","10.1039/c0nj00750a","","","0.71073","MoKα","","0.0664","0.0325","","","0.0701","0.0744","","","","","","0.841","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052587","10.353","0.0016","10.928","0.002","15.794","0.004","75.074","0.019","81.233","0.017","64.423","0.018","1555.7","0.6","250","2","250","2","","","","","","","","5","P -1","-P 1","2","(2,2')-(1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane- 1,3-dione) (2-)-N,N',O$3!,O$3!')(bis(1H-imidazol-1-yl) methane)iron(ii)","[2,2']-[1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane-1,3-dione) (2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'](bis(1<i>H</i>-imidazol-1-yl) methane)iron(II)","","- C35 H30 Fe N6 O4 -","- C35 H30 Fe N6 O4 -","- C70 H60 Fe2 N12 O8 -","2","1","","Pfaffeneder, Toni M.; Thallmair, Sebastian; Bauer, Wolfgang; Weber, Birgit","Complete and incomplete spin transitions in 1D chain iron(ii) compounds","New Journal of Chemistry","2011","35","3","691","","10.1039/c0nj00750a","","","0.71073","MoKα","","0.0946","0.0484","","","0.11","0.1179","","","","","","0.96","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052588","10.3326","0.0016","10.8298","0.0017","15.673","0.003","74.763","0.014","80.991","0.014","64.329","0.015","1523.3","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","(2,2')-(1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane- 1,3-dione) (2-)-N,N',O$3!,O$3!')(bis(1H-imidazol-1-yl) methane)iron(ii)","[2,2']-[1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane-1,3-dione) (2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'](bis(1<i>H</i>-imidazol-1-yl) methane)iron(II)","","- C35 H30 Fe N6 O4 -","- C35 H30 Fe N6 O4 -","- C70 H60 Fe2 N12 O8 -","2","1","","Pfaffeneder, Toni M.; Thallmair, Sebastian; Bauer, Wolfgang; Weber, Birgit","Complete and incomplete spin transitions in 1D chain iron(ii) compounds","New Journal of Chemistry","2011","35","3","691","","10.1039/c0nj00750a","","","0.71073","MoKα","","0.1025","0.0567","","","0.1159","0.1243","","","","","","1.002","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052589","10.4117","0.0014","10.5247","0.0012","15.4338","0.0018","74.913","0.01","79.006","0.011","64.091","0.013","1463","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","(2,2')-(1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane- 1,3-dione) (2-)-N,N',O$3!,O$3!')(bis(1H-imidazol-1-yl) methane)iron(ii)","[2,2']-[1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane-1,3-dione) (2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'](bis(1<i>H</i>-imidazol-1-yl) methane)iron(II)","","- C35 H30 Fe N6 O4 -","- C35 H30 Fe N6 O4 -","- C70 H60 Fe2 N12 O8 -","2","1","","Pfaffeneder, Toni M.; Thallmair, Sebastian; Bauer, Wolfgang; Weber, Birgit","Complete and incomplete spin transitions in 1D chain iron(ii) compounds","New Journal of Chemistry","2011","35","3","691","","10.1039/c0nj00750a","","","0.71073","MoKα","","0.1183","0.0635","","","0.1366","0.1494","","","","","","1.025","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052590","8.1196","0.0002","16.2585","0.0005","19.1065","0.0005","90","","97.303","0.001","90","","2501.84","0.12","120","0.2","120","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Ca2 Cl4 N2 O30 -","- C34 H54 Ca2 Cl4 N2 O30 -","- C68 H108 Ca4 Cl8 N4 O60 -","2","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.","Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition","New Journal of Chemistry","2011","35","3","724","","10.1039/c0nj00780c","","","0.71073","MoKα","","0.0378","0.0345","","","0.0898","0.094","","","","","","1.054","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052591","12.3927","0.001","13.7956","0.0011","14.7748","0.0012","104.967","0.004","108.561","0.004","105.014","0.004","2146.7","0.3","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 K N3 O17 -","- C42 H48 K N3 O17 -","- C84 H96 K2 N6 O34 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.","Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition","New Journal of Chemistry","2011","35","3","724","","10.1039/c0nj00780c","","","0.71073","MoKα","","0.2583","0.1104","","","0.2224","0.269","","","","","","0.957","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052592","26.083","0.002","9.2443","0.0009","15.815","0.0013","90","","96.659","0.005","90","","3787.6","0.6","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cl2 Na2 O18 -","- C30 H40 Cl2 Na2 O18 -","- C120 H160 Cl8 Na8 O72 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.","Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition","New Journal of Chemistry","2011","35","3","724","","10.1039/c0nj00780c","","","0.71073","MoKα","","0.4133","0.2426","","","0.3541","0.4098","","","","","","1.116","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052593","21.0741","0.0003","21.0741","0.0003","33.459","0.0006","90","","90","","120","","12868.9","0.3","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C53 H76 Cl2 N2 O20 -","- C52.96 H75.96 Cl1.66667 N2 O18.6667 -","- C476.64 H683.64 Cl15 N18 O168 -","9","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.","Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition","New Journal of Chemistry","2011","35","3","724","","10.1039/c0nj00780c","","","1.54178","CuKα","","0.0647","0.0628","","","0.1753","0.179","","","","","","1.053","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052594","12.7413","0.0003","17.2121","0.0004","23.8339","0.0005","83.2","0.001","80.486","0.001","70.437","0.001","4846.22","0.19","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 Cs N3 O19 -","- C46 H56 Cs N3 O19 -","- C184 H224 Cs4 N12 O76 -","4","2","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.","Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition","New Journal of Chemistry","2011","35","3","724","","10.1039/c0nj00780c","","","0.71073","MoKα","","0.1801","0.0808","","","0.2017","0.234","","","","","","0.933","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052595","14.4368","0.0008","17.929","0.0011","18.917","0.0011","78.74","0.003","84.002","0.003","87.88","0.003","4775.2","0.5","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H116 Ca2 Cl4 O45 -","- C78 H98 Ca2 Cl4 O45 -","- C156 H196 Ca4 Cl8 O90 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.","Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition","New Journal of Chemistry","2011","35","3","724","","10.1039/c0nj00780c","","","0.71073","MoKα","","0.378","0.1145","","","0.232","0.2961","","","","","","0.877","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052596","13.9879","0.0009","26.9584","0.0019","21.0031","0.0015","90","","103.011","0.004","90","","7716.8","0.9","120","0.2","120","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H100 Cl2 K2 O32 -","- C72 H92 Cl2 K2 O32 -","- C288 H368 Cl8 K8 O128 -","4","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.","Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition","New Journal of Chemistry","2011","35","3","724","","10.1039/c0nj00780c","","","0.71073","MoKα","","0.2154","0.102","","","0.2778","0.311","","","","","","1.07","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052597","11.751","0.003","12.885","0.003","13.632","0.003","114.123","0.003","100.136","0.004","97.33","0.004","1808.1","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H34 N10 O2 -","- C45 H34 N10 O2 -","- C90 H68 N20 O4 -","2","1","","Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J.","Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions","New Journal of Chemistry","2011","35","4","794","","10.1039/c0nj00500b","","","0.71073","MoKα","","0.0889","0.0639","","","0.1693","0.1871","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052598","7.6457","0.0016","9.891","0.002","15.431","0.003","97.881","0.003","101.751","0.003","93.578","0.003","1126.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25.4 N6 O2.7 -","- C24 H24 N6 O2 -","- C48 H48 N12 O4 -","2","1","","Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J.","Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions","New Journal of Chemistry","2011","35","4","794","","10.1039/c0nj00500b","","","0.71073","MoKα","","0.0611","0.051","","","0.1443","0.1511","","","","","","1.095","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052599","15.039","0.007","12.809","0.006","14.218","0.006","90","","90","","90","","2739","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H26 N8 O2 -","- C32 H26 N8 O2 -","- C128 H104 N32 O8 -","4","1","","Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J.","Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions","New Journal of Chemistry","2011","35","4","794","","10.1039/c0nj00500b","","","0.71073","MoKα","","0.069","0.0496","","","0.0992","0.108","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052600","13.542","0.008","14.271","0.006","14.801","0.006","62.05","0.02","79.37","0.03","86.9","0.03","2482","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H98 Cl2 Fe6 N2 O26 -","- C91 H96 Cl2 Fe6 N2 O26 -","- C91 H96 Cl2 Fe6 N2 O26 -","1","0.5","","Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.","Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species","New Journal of Chemistry","2011","35","4","842","","10.1039/c0nj00621a","","","0.71073","MoKα","","0.0804","0.0379","","","0.0737","0.082","","","","","","0.869","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052601","9.6137","0.0006","12.1476","0.0007","12.7323","0.0008","82.799","0.005","80.978","0.005","78.045","0.005","1430.02","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 Cl6 Fe6 N2 O26 -","- C32 H56 Cl6 Fe6 N2 O26 -","- C32 H56 Cl6 Fe6 N2 O26 -","1","0.5","","Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.","Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species","New Journal of Chemistry","2011","35","4","842","","10.1039/c0nj00621a","","","0.71073","MoKα","","0.0857","0.0417","","","0.0909","0.1073","","","","","","0.969","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052602","23.155","0.005","16.13","0.003","27.693","0.006","90","","92.01","0.03","90","","10337","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C85 H81 Cl15 Fe6 N2 O26 -","- C85 H79 Cl15 Fe6 N2 O26 -","- C340 H316 Cl60 Fe24 N8 O104 -","4","0.5","","Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.","Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species","New Journal of Chemistry","2011","35","4","842","","10.1039/c0nj00621a","","","0.71073","MoKα","","0.1233","0.0829","","","0.2224","0.2623","","","","","","1.099","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052603","27.8503","0.0009","27.8503","0.0009","31.8394","0.0013","90","","90","","120","","21387.3","1.3","296","0.1","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C126 H123 Cl12 Fe11 N0 O42 -","- C126 H117 Cl12 Fe11 O42 -","- C756 H702 Cl72 Fe66 O252 -","6","0.333333","","Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.","Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species","New Journal of Chemistry","2011","35","4","842","","10.1039/c0nj00621a","","","0.71073","MoKα","","0.1083","0.074","","","0.1912","0.2324","","","","","","1.071","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052604","9.339","0.008","15.689","0.014","12.461","0.011","90","","90","","90","","1826","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H23 Br2 N2 O3.5 -","- C15 H20 Br2 N2 O2 -","- C60 H80 Br8 N8 O8 -","4","0.5","","Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang","Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests","New Journal of Chemistry","2011","35","5","1088","","10.1039/c0nj00752h","","","0.71073","MoKα","","0.055","0.0327","","","0.0772","0.082","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052605","13.284","0.003","9.1181","0.0018","11.576","0.002","90","","97.245","0.007","90","","1390.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Br4 N -","- C10 H13 Br4 N -","- C40 H52 Br16 N4 -","4","1","","Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang","Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests","New Journal of Chemistry","2011","35","5","1088","","10.1039/c0nj00752h","","","0.71073","MoKα","","0.0744","0.0478","","","0.1155","0.1236","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052606","18.139","0.005","21.311","0.005","22.34","0.006","90","","90.915","0.003","90","","8635","4","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H104 Br2 N34 O34 -","- C66 H72 Br2.0013 N34 O18 -","- C264 H288 Br8.0052 N136 O72 -","4","2","","Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang","Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests","New Journal of Chemistry","2011","35","5","1088","","10.1039/c0nj00752h","","","0.71073","MoKα","","0.077","0.0599","","","0.1571","0.1666","","","","","","1.055","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052607","25.514","0.004","27.351","0.004","12.6917","0.0018","90","","90","","90","","8857","2","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C58 H110.5 Br3.5 Cl N33 O40.5 -","- C58 H61 Br3.5 Cl1.0005 N33 O16.5 -","- C232 H244 Br14 Cl4.002 N132 O66 -","4","1","","Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang","Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests","New Journal of Chemistry","2011","35","5","1088","","10.1039/c0nj00752h","","","0.71073","MoKα","","0.1106","0.0697","","","0.1692","0.1853","","","","","","0.991","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052608","3.9006","0.0004","6.928","0.0007","7.7307","0.0008","107.693","0.009","99.426","0.008","94.527","0.008","194.49","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H2 Br Cu N -","- C2 H2 Br Cu N -","- C4 H4 Br2 Cu2 N2 -","2","1","","Pospisil, Jiri; Jess, Inke; Näther, Christian; Necas, Marek; Taborsky, Petr","Luminescence properties of “double-stranded staircase” copper(i) halide coordination polymers with N-containing ligands","New Journal of Chemistry","2011","35","4","861","","10.1039/c0nj00809e","","","0.71073","MoKα","","0.037","0.0342","","","0.1123","0.1132","","","","","","1.204","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052609","8.9211","0.0012","9.6889","0.0013","11.322","0.0015","113.677","0.002","100.094","0.002","91.366","0.002","877.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N4 O11 Zn2 -","- C36 H40 N4 O11 Zn2 -","- C36 H40 N4 O11 Zn2 -","1","0.5","","Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee","Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands","New Journal of Chemistry","2011","35","4","833","","10.1039/c0nj00869a","","","0.71073","MoKα","","0.0397","0.0312","","","0.0654","0.0667","","","","","","0.924","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052610","5.8322","0.0006","10.6119","0.001","13.5639","0.0013","89.324","0.002","86.923","0.002","86.978","0.002","837.07","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 N2 O14 Zn2 -","- C28 H40 N2 O14 Zn2 -","- C28 H40 N2 O14 Zn2 -","1","0.5","","Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee","Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands","New Journal of Chemistry","2011","35","4","833","","10.1039/c0nj00869a","","","0.71073","MoKα","","0.0464","0.0381","","","0.0939","0.0958","","","","","","0.974","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052611","6.167","0.003","12.715","0.007","13.095","0.007","114.959","0.008","97.225","0.009","93.347","0.008","916.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O10 Zn2 -","- C28 H32 N2 O10 Zn2 -","- C28 H32 N2 O10 Zn2 -","1","0.5","","Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee","Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands","New Journal of Chemistry","2011","35","4","833","","10.1039/c0nj00869a","","","0.71073","MoKα","","0.1342","0.0909","","","0.2512","0.2633","","","","","","1.019","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052612","6.2142","0.0012","9.4307","0.0018","12.213","0.003","81.975","0.003","82.195","0.003","85.397","0.004","700.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N2 O10 Zn2 -","- C28 H34 N2 O10 Zn2 -","- C28 H34 N2 O10 Zn2 -","1","0.5","","Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee","Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands","New Journal of Chemistry","2011","35","4","833","","10.1039/c0nj00869a","","","0.71073","MoKα","","0.1155","0.0595","","","0.1132","0.1485","","","","","","0.952","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052613","5.6008","0.0005","13.9738","0.0013","20.9424","0.0019","93.765","0.002","96.678","0.002","94.342","0.002","1618.7","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H79 N5 O20 Zn4 -","- C60 H75 N5 O20 Zn4 -","- C60 H75 N5 O20 Zn4 -","1","0.5","","Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee","Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands","New Journal of Chemistry","2011","35","4","833","","10.1039/c0nj00869a","","","0.71073","MoKα","","0.0631","0.0461","","","0.1357","0.1398","","","","","","0.966","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052614","10.3877","0.0011","10.6229","0.0012","23.554","0.003","96.562","0.002","98.759","0.002","113.605","0.002","2309.4","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H45 N4 O12.5 S4 Zn2 -","- C36 H36 N4 O12.5 S4 Zn2 -","- C72 H72 N8 O25 S8 Zn4 -","2","1","","Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee","Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands","New Journal of Chemistry","2011","35","4","833","","10.1039/c0nj00869a","","","0.71073","MoKα","","0.1458","0.072","","","0.1912","0.2036","","","","","","0.883","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052615","4.8445","0.0009","32.906","0.006","6.2836","0.0011","90","","105.406","0.002","90","","965.7","0.3","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 Ni O6 -","- C20 H18 N4 Ni O6 -","- C40 H36 N8 Ni2 O12 -","2","0.5","","Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang","Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks","New Journal of Chemistry","2011","35","4","865","","10.1039/c0nj00904k","","","0.71073","MoKα","","0.0642","0.0463","","","0.1088","0.1169","","","","","","1.056","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052616","5.0443","0.0006","32.161","0.004","6.3234","0.0008","90","","106.293","0.001","90","","984.6","0.2","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cu N4 O6 -","- C20 H18 Cu N4 O6 -","- C40 H36 Cu2 N8 O12 -","2","0.5","","Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang","Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks","New Journal of Chemistry","2011","35","4","865","","10.1039/c0nj00904k","","","0.71073","MoKα","","0.0465","0.0367","","","0.0796","0.0838","","","","","","1.078","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052617","7.096","0.0012","12.071","0.002","22.767","0.004","90","","90.338","0.003","90","","1950.1","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","1","","Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang","Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks","New Journal of Chemistry","2011","35","4","865","","10.1039/c0nj00904k","","","0.71073","MoKα","","0.1243","0.0666","","","0.1206","0.1415","","","","","","1.036","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052618","6.6139","0.0007","6.9872","0.0007","10.4414","0.0011","79.736","0.001","82.999","0.001","75.092","0.001","457.35","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N4 Ni O6 -","- C20 H18 N4 Ni O6 -","- C20 H18 N4 Ni O6 -","1","0.5","","Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang","Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks","New Journal of Chemistry","2011","35","4","865","","10.1039/c0nj00904k","","","0.71073","MoKα","","0.0327","0.0292","","","0.067","0.0689","","","","","","1.077","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052619","12.463","0.003","11.681","0.003","12.403","0.003","90","","102.109","0.003","90","","1765.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N8 Ni O4 -","- C38 H30 N8 Ni O4 -","- C76 H60 N16 Ni2 O8 -","2","0.5","","Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang","Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks","New Journal of Chemistry","2011","35","4","865","","10.1039/c0nj00904k","","","0.71073","MoKα","","0.0482","0.0358","","","0.0875","0.0939","","","","","","1.039","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052620","7.492","0.0008","10.6557","0.0012","12.1671","0.0014","90","","100.442","0.001","90","","955.24","0.18","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cu N4 O6 -","- C20 H18 Cu N4 O6 -","- C40 H36 Cu2 N8 O12 -","2","0.5","","Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang","Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks","New Journal of Chemistry","2011","35","4","865","","10.1039/c0nj00904k","","","0.71073","MoKα","","0.0234","0.0217","","","0.0618","0.0631","","","","","","1.077","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052621","16.5749","0.0019","18.395","0.002","22.912","0.003","90","","90","","90","","6985.8","1.4","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C320 H224 N64 O64 Zn16 -","16","0.5","","Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang","Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks","New Journal of Chemistry","2011","35","4","865","","10.1039/c0nj00904k","","","0.71073","MoKα","","0.0359","0.0313","","","0.0855","0.0882","","","","","","1.079","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052622","14.377","0.004","13.872","0.003","14.606","0.004","90","","102.988","0.003","90","","2838.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N6 O6 Zn2 -","- C30 H20 N6 O6 Zn2 -","- C120 H80 N24 O24 Zn8 -","4","1","","Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang","Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks","New Journal of Chemistry","2011","35","4","865","","10.1039/c0nj00904k","","","0.71073","MoKα","","0.1057","0.0502","","","0.1127","0.1405","","","","","","1.025","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052623","9.345","0.0011","10.061","0.0013","14.9597","0.0018","83.288","0.007","87.451","0.007","80.642","0.008","1377.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","1-Phenylamino-5,8-diethylamino-tri-s-triazin","1-Phenylamino-5,8-diethylamino-tri-s-triazin","","- C30 H35 N10 -","- C30 H35 N10 -","- C60 H70 N20 -","2","1","","Schwarzer, Anke; Kroke, Edwin","A series of aryl-/alkyl-substituted melems","New Journal of Chemistry","2011","35","4","953","","10.1039/c0nj00989j","","","0.71073","MoKα","","0.1502","0.0596","","","0.1126","0.1317","","","","","","0.898","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052624","8.3533","0.0012","15.991","0.002","17.814","0.003","111.035","0.007","95.13","0.008","95.873","0.006","2188.8","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Hexaphenylmelem","Hexaphenylmelem","","- C45 H39 N13 O6 -","- C45 H39 N13 O6 -","- C90 H78 N26 O12 -","2","1","","Schwarzer, Anke; Kroke, Edwin","A series of aryl-/alkyl-substituted melems","New Journal of Chemistry","2011","35","4","953","","10.1039/c0nj00989j","","","0.71073","MoKα","","0.2634","0.0868","","","0.1924","0.2678","","","","","","0.967","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052625","12.553","0.0009","15.4588","0.0011","18.053","0.0015","83.008","0.004","80.797","0.004","67.012","0.004","3176.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1-Phenylamino-5,8-diethylamino-tri-s-triazin","1-Phenylamino-5,8-diethylamino-tri-s-triazin","","- C57 H75 N25 O10 -","- C57 H75 N25 O10 -","- C114 H150 N50 O20 -","2","1","","Schwarzer, Anke; Kroke, Edwin","A series of aryl-/alkyl-substituted melems","New Journal of Chemistry","2011","35","4","953","","10.1039/c0nj00989j","","","0.71073","MoKα","","0.2224","0.069","","","0.1381","0.178","","","","","","0.871","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052626","12.5928","0.0007","12.5928","0.0007","19.4047","0.0019","90","","90","","90","","3077.2","0.4","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","1,5-Diphenylamino-8-ethylamino-tri-s-triazine","1,5-Diphenylamino-8-ethylamino-tri-s-triazine","","- C34 H34 N10 O2 -","- C34 H34 N10 O2 -","- C136 H136 N40 O8 -","4","0.5","","Schwarzer, Anke; Kroke, Edwin","A series of aryl-/alkyl-substituted melems","New Journal of Chemistry","2011","35","4","953","","10.1039/c0nj00989j","","","0.71073","MoKα","","0.2683","0.0569","","","0.1159","0.1544","","","","","","0.808","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052627","6.9224","0.0002","7.9698","0.0002","30.1896","0.0008","90","","93.8408","0.0014","90","","1661.82","0.08","120","2","120","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","Compound X","","","- C12 H20 Cd N2 O11 -","- C12 H20 Cd N2 O11 -","- C48 H80 Cd4 N8 O44 -","4","0.5","","Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C.","Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand","New Journal of Chemistry","2011","35","5","1060","","10.1039/c0nj01009j","","x-ray","0.71069","MoKα","","0.0246","0.0212","","","0.046","0.047","","","","","","1.093","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052628","6.8863","0.0005","30.987","0.002","8.0216","0.0006","90","","93.21","0.004","90","","1709","0.2","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Mn N2 O12 -","- C12 H22 Mn N2 O12 -","- C48 H88 Mn4 N8 O48 -","4","1","","Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C.","Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand","New Journal of Chemistry","2011","35","5","1060","","10.1039/c0nj01009j","","x-ray","0.71073","MoKα","","0.1142","0.0499","","","0.1015","0.1217","","","","","","1.042","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052629","6.7914","0.0006","30.287","0.003","8.1676","0.0008","90","","90.331","0.004","90","","1680","0.3","100","","100","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O11 Pb -","- C12 H20 N2 O11 Pb -","- C48 H80 N8 O44 Pb4 -","4","1","","Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C.","Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand","New Journal of Chemistry","2011","35","5","1060","","10.1039/c0nj01009j","","x-ray","0.71073","MoKα","","0.0546","0.0426","","","0.1114","0.1204","","","","","","1.054","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052630","39.531","0.007","10.5545","0.0018","23.913","0.004","90","","111.845","0.002","90","","9261","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C47 H58 O14.4 -","- C47 H58 O14.191 -","- C376 H464 O113.528 -","8","1","","Maerz, Andrew K.; Fowler, Drew A.; Mossine, Andrew V.; Mistry, Miten; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent mediated self-assembly of organic nanostructures","New Journal of Chemistry","2011","35","4","784","","10.1039/c1nj00005e","","","0.71073","MoKα","","0.1495","0.0879","","","0.2585","0.3266","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052631","10.94","0.005","12.189","0.005","17.454","0.01","78.497","0.006","87.202","0.007","84.105","0.004","2267.7","1.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H40 O16 -","- C48 H64 O12.578 -","- C96 H128 O25.156 -","2","1","","Maerz, Andrew K.; Fowler, Drew A.; Mossine, Andrew V.; Mistry, Miten; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent mediated self-assembly of organic nanostructures","New Journal of Chemistry","2011","35","4","784","","10.1039/c1nj00005e","","","0.71073","MoKα","","0.1476","0.0788","","","0.2308","0.2773","","","","","","1.05","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052632","8.538","0.0002","12.9927","0.0003","18.7805","0.0005","106.57","0.001","90.837","0.001","92.743","0.001","1993.68","0.09","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H22 Cl2 F4 N4 O2 S6 -","- C43 H22 Cl2 F4 N4 O2 S6 -","- C86 H44 Cl4 F8 N8 O4 S12 -","2","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","A binaphthol-substituted tetrathiafulvalene with axial chirality and its enantiopure TCNQF4 charge-transfer salts","New Journal of Chemistry","2011","35","5","1004","","10.1039/c1nj20034h","","","0.71073","MoKα","","0.0686","0.0576","","","0.1585","0.176","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052633","46.597","0.004","8.8358","0.0007","13.4499","0.0009","90","","93.6","0.003","90","","5526.7","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H43 N O4 S12 -","- C62 H43 N O4 S12 -","- C248 H172 N4 O16 S48 -","4","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","A binaphthol-substituted tetrathiafulvalene with axial chirality and its enantiopure TCNQF4 charge-transfer salts","New Journal of Chemistry","2011","35","5","1004","","10.1039/c1nj20034h","","","0.71073","MoKα","","0.1586","0.0746","","","0.1662","0.2228","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052634","8.5594","0.0003","13.0019","0.0003","18.8153","0.0005","106.556","0.001","90.875","0.001","92.728","0.001","2003.93","0.1","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C43 H22 Cl2 F4 N4 O2 S6 -","- C43 H22 Cl2 F4 N4 O2 S6 -","- C86 H44 Cl4 F8 N8 O4 S12 -","2","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","A binaphthol-substituted tetrathiafulvalene with axial chirality and its enantiopure TCNQF4 charge-transfer salts","New Journal of Chemistry","2011","35","5","1004","","10.1039/c1nj20034h","","","0.71073","MoKα","","0.047","0.0409","","","0.1165","0.1325","","","","","","1.098","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052635","16.0832","0.0006","9.0468","0.0003","18.4128","0.0006","90","","99.842","0.002","90","","2639.66","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 O2 S6 -","- C30 H20 O2 S6 -","- C120 H80 O8 S24 -","4","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","A binaphthol-substituted tetrathiafulvalene with axial chirality and its enantiopure TCNQF4 charge-transfer salts","New Journal of Chemistry","2011","35","5","1004","","10.1039/c1nj20034h","","","0.71073","MoKα","","0.0686","0.0441","","","0.111","0.1401","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052636","10.0556","0.0005","16.6586","0.0009","7.701","0.0004","90","","99.229","0.003","90","","1273.31","0.12","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Olguín, Juan; Brooker, Sally","Synthesis of 3- and 5-formyl-4-phenyl-1H-pyrazoles: promising head units for the generation of asymmetric imine ligands and mixed metal polynuclear complexes","New Journal of Chemistry","2011","35","6","1242","","10.1039/c0nj00774a","","","0.71073","MoKα","","0.0665","0.0486","","","0.1147","0.125","","","","","","1.098","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052637","8.4741","0.0005","9.4806","0.0005","21.3093","0.0014","90","","90","","90","","1711.98","0.18","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","1","","Olguín, Juan; Brooker, Sally","Synthesis of 3- and 5-formyl-4-phenyl-1H-pyrazoles: promising head units for the generation of asymmetric imine ligands and mixed metal polynuclear complexes","New Journal of Chemistry","2011","35","6","1242","","10.1039/c0nj00774a","","","0.71073","MoKα","","0.0937","0.0624","","","0.1275","0.1438","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052638","12.5943","0.0016","18.395","0.002","20.037","0.003","84.789","0.007","85.699","0.007","70.209","0.006","4344.9","1","89","2","89","2","","","","","","","","8","P -1","-P 1","2","","","","- C85.75 H72.75 B2 F8 Fe N19.25 Ni3 O2.25 -","- C85.75 H72.75 B2 F8 Fe N19.25 Ni3 O2.25 -","- C171.5 H145.5 B4 F16 Fe2 N38.5 Ni6 O4.5 -","2","1","","Olguín, Juan; Brooker, Sally","Synthesis of 3- and 5-formyl-4-phenyl-1H-pyrazoles: promising head units for the generation of asymmetric imine ligands and mixed metal polynuclear complexes","New Journal of Chemistry","2011","35","6","1242","","10.1039/c0nj00774a","","","0.71073","MoKα","","0.0922","0.0743","","","0.1914","0.204","","","","","","1.085","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052639","14.9804","0.0015","15.6008","0.0015","19.252","0.002","84.728","0.003","75.56","0.003","75.295","0.003","4212.5","0.7","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H206 K4 O103 -","- C112 H156 K4 O103 -","- C112 H156 K4 O103 -","1","1","","Fernandes, José A.; Paz, Filipe A. Almeida; Braga, Susana S.; Ribeiro-Claro, Paulo J. A.; Rocha, João","Inclusion of potassium 4,4′-biphenyldicarboxylate into β-cyclodextrin: the design and synthesis of an organic secondary building unit","New Journal of Chemistry","2011","35","6","1280","","10.1039/c0nj00796j","","","0.71073","MoKα","","0.2978","0.1384","","","0.2808","0.3097","","","","","","2.075","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052640","18.915","0.012","24.271","0.016","33.344","0.019","90","","99.883","0.016","90","","15081","16","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C210 H412 K6 O206 -","- C210 H300 K6 O206 -","- C420 H600 K12 O412 -","2","0.5","","Fernandes, José A.; Paz, Filipe A. Almeida; Braga, Susana S.; Ribeiro-Claro, Paulo J. A.; Rocha, João","Inclusion of potassium 4,4′-biphenyldicarboxylate into β-cyclodextrin: the design and synthesis of an organic secondary building unit","New Journal of Chemistry","2011","35","6","1280","","10.1039/c0nj00796j","","","0.71073","MoKα","","0.4596","0.1566","","","0.2844","0.3805","","","","","","1.069","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052641","12.798","0.0007","13.1163","0.0007","21.6536","0.0012","96.589","0.002","103.689","0.002","103.835","0.002","3372.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 Eu O10 P -","- C78 H78 Eu O10 P -","- C156 H156 Eu2 O20 P2 -","2","1","","Monteiro, Jorge H. S. K.; Adati, Renata D.; Davolos, Marian R.; Vicenti, Juliano R. M.; Burrow, Robert A.","Correlation between structural data and spectroscopic studies of a new β-diketonate complex with trivalent europium and gadolinium","New Journal of Chemistry","2011","35","6","1234","","10.1039/c0nj00831a","","","0.71073","MoKα","","0.046","0.0352","","","0.0787","0.0831","","","","","","1.061","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052642","12.7974","0.0005","13.1246","0.0005","21.5904","0.0008","96.576","0.002","103.758","0.002","103.779","0.002","3364.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 Gd O10 P -","- C78 H78 Gd O10 P -","- C156 H156 Gd2 O20 P2 -","2","1","","Monteiro, Jorge H. S. K.; Adati, Renata D.; Davolos, Marian R.; Vicenti, Juliano R. M.; Burrow, Robert A.","Correlation between structural data and spectroscopic studies of a new β-diketonate complex with trivalent europium and gadolinium","New Journal of Chemistry","2011","35","6","1234","","10.1039/c0nj00831a","","","0.71073","MoKα","","0.0697","0.0458","","","0.0907","0.1","","","","","","1.018","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052643","9.6204","0.0004","10.8948","0.0005","13.3105","0.0005","90","","95.411","0.004","90","","1388.89","0.1","220","","220","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ag Fe0.5 N4 -","- C14 H8 Ag Fe0.5 N4 -","- C56 H32 Ag4 Fe2 N16 -","4","1","","Shepherd, Helena J.; Bartual-Murgui, Carlos; Molnár, Gábor; Real, José Antonio; Muñoz, M. Carmen; Salmon, Lionel; Bousseksou, Azzedine","Thermal and pressure-induced spin crossover in a novel three-dimensional Hoffman-like clathrate complex","New Journal of Chemistry","2011","35","6","1205","","10.1039/c0nj00845a","","","0.7107","MoKα","","0.0803","0.0458","","","0.119","0.1264","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052644","13.779","0.011","25.28","0.02","20.913","0.018","90","","93.576","0.016","90","","7271","10","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(PPh4)2(Ru2(piv)4W(CN)8).0.5H2O","(PPh4)2[Ru2(piv)4W(CN)8].0.5H2O","","- C76 H77 N8 O8.5 P2 Ru2 W -","- C76 H76 N8 O8.5 P2 Ru2 W -","- C304 H304 N32 O34 P8 Ru8 W4 -","4","1","","Mikuriya, Masahiro; Yoshioka, Daisuke; Borta, Ana; Luneau, Dominique; Matoga, Dariusz; Szklarzewicz, Janusz; Handa, Makoto","Molecule-based magnetic materials based on dinuclear ruthenium carboxylate and octacyanotungstate","New Journal of Chemistry","2011","35","6","1226","","10.1039/c0nj00855a","","","0.71073","MoKα","","0.0377","0.0246","","","0.0503","0.0525","","","","","","0.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052645","24.609","0.002","24.609","0.002","15.7876","0.0018","90","","90","","90","","9561","1.5","293","2","293","2","","","","","","","","6","P -4","P -4","81","((Ru2(piv)4)3W(CN)8(H2O))","[{Ru2(piv)4}3W(CN)8(H2O)]","","- C68 H110 N8 O25 Ru6 W -","- C68 H93 N8 O25 Ru6 W -","- C272 H372 N32 O100 Ru24 W4 -","4","1","","Mikuriya, Masahiro; Yoshioka, Daisuke; Borta, Ana; Luneau, Dominique; Matoga, Dariusz; Szklarzewicz, Janusz; Handa, Makoto","Molecule-based magnetic materials based on dinuclear ruthenium carboxylate and octacyanotungstate","New Journal of Chemistry","2011","35","6","1226","","10.1039/c0nj00855a","","","0.71073","MoKα","","0.0805","0.0425","","","0.073","0.0775","","","","","","0.766","","","","has coordinates,has disorder","275218","2022-05-08","21:24:23",""
"7052646","7.5253","0.0003","34.2257","0.0013","19.5251","0.0008","90","","90.483","0.003","90","","5028.7","0.3","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 K2 Mn5 Mo3 N22 O14 -","- C23 H3 K2 Mn5 Mo3 N22 O14 -","- C92 H12 K8 Mn20 Mo12 N88 O56 -","4","1","","Milon, Julie; Guionneau, Philippe; Duhayon, Carine; Sutter, Jean-Pascal","[K2Mn5{Mo(CN)7}3]: an open framework magnet with four Tc conversions orchestrated by guests and thermal history","New Journal of Chemistry","2011","35","6","1211","","10.1039/c0nj00860e","","","0.71073","MoKα","","0.0626","0.0342","","0.0399","0.0347","0.0347","","","","","","1.093","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052647","12.4549","0.0007","12.6214","0.0007","26.4841","0.0015","90","","91.527","0.001","90","","4161.8","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C88 H77 Co4 N15 O9 -","- C88 H77 Co4 N15 O9 -","- C176 H154 Co8 N30 O18 -","2","0.5","","Craig, Gavin A.; Costa, José Sánchez; Aguilà, David; Barrios, Leoní A.; Roubeau, Olivier; Teat, Simon J.; Aromí, Guillem","Molecular [Co(iii)Co(ii)] ×2 assemblies of a new bis-phenol/pyrazolyl ligand","New Journal of Chemistry","2011","35","6","1202","","10.1039/c0nj00861c","","","0.7749","synchrotron","","0.0921","0.0643","","","0.19","0.2114","","","","","","1.061","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052648","16.133","0.003","23.373","0.005","23.517","0.005","88.14","0.03","76.5","0.03","80.03","0.03","8492","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H109 Co8 N25 O14 -","- C145 H107 Co8 N25 O14 -","- C290 H214 Co16 N50 O28 -","2","1","","Craig, Gavin A.; Costa, José Sánchez; Aguilà, David; Barrios, Leoní A.; Roubeau, Olivier; Teat, Simon J.; Aromí, Guillem","Molecular [Co(iii)Co(ii)] ×2 assemblies of a new bis-phenol/pyrazolyl ligand","New Journal of Chemistry","2011","35","6","1202","","10.1039/c0nj00861c","","","0.7383","synchrotron","","0.1792","0.1561","","","0.4118","0.4437","","","","","","1.741","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052649","9.5124","0.0007","11.5501","0.0008","16.6392","0.0012","90","","90","","90","","1828.1","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H10 Br N3 -","- C7 H10 Br N3 -","- C56 H80 Br8 N24 -","8","1","","Drab, David M.; Smiglak, Marcin; Shamshina, Julia L.; Kelley, Steven P.; Schneider, Stefan; Hawkins, Tommy W.; Rogers, Robin D.","Synthesis of N-cyanoalkyl-functionalized imidazolium nitrate and dicyanamide ionic liquids with a comparison of their thermal properties for energetic applications","New Journal of Chemistry","2011","35","8","1701","","10.1039/c0nj00889c","","","0.71073","MoKα","","0.0284","0.0214","","","0.0526","0.0549","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052650","7.5721","0.0011","11.2151","0.0016","10.52","0.0015","90","","91.133","0.002","90","","893.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Br N3 -","- C7 H10 Br N3 -","- C28 H40 Br4 N12 -","4","1","","Drab, David M.; Smiglak, Marcin; Shamshina, Julia L.; Kelley, Steven P.; Schneider, Stefan; Hawkins, Tommy W.; Rogers, Robin D.","Synthesis of N-cyanoalkyl-functionalized imidazolium nitrate and dicyanamide ionic liquids with a comparison of their thermal properties for energetic applications","New Journal of Chemistry","2011","35","8","1701","","10.1039/c0nj00889c","","","0.71073","MoKα","","0.0397","0.0328","","","0.0826","0.0867","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052651","7.8154","0.0011","18.401","0.003","7.0641","0.001","90","","112.283","0.002","90","","940","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C32 H32 N24 -","4","1","","Drab, David M.; Smiglak, Marcin; Shamshina, Julia L.; Kelley, Steven P.; Schneider, Stefan; Hawkins, Tommy W.; Rogers, Robin D.","Synthesis of N-cyanoalkyl-functionalized imidazolium nitrate and dicyanamide ionic liquids with a comparison of their thermal properties for energetic applications","New Journal of Chemistry","2011","35","8","1701","","10.1039/c0nj00889c","","","0.71073","MoKα","","0.0416","0.0366","","","0.0925","0.0961","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052652","8.7192","0.0013","9.8611","0.0014","11.1363","0.0016","93.588","0.003","108.321","0.002","112.598","0.002","820.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N4 O3 -","- C6 H8 N4 O3 -","- C24 H32 N16 O12 -","4","2","","Drab, David M.; Smiglak, Marcin; Shamshina, Julia L.; Kelley, Steven P.; Schneider, Stefan; Hawkins, Tommy W.; Rogers, Robin D.","Synthesis of N-cyanoalkyl-functionalized imidazolium nitrate and dicyanamide ionic liquids with a comparison of their thermal properties for energetic applications","New Journal of Chemistry","2011","35","8","1701","","10.1039/c0nj00889c","","","0.71073","MoKα","","0.0648","0.0514","","","0.1594","0.1742","","","","","","0.769","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052653","20.5139","0.0004","12.3909","0.0003","15.0847","0.0003","90","","98.958","0.001","90","","3787.55","0.14","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Cu4 I4 S4 -","- C24 H52 Cu4 I4 S4 -","- C96 H208 Cu16 I16 S16 -","4","1","","Knorr, Michael; Guyon, Fabrice; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Harvey, Pierre D.","Effect of t-BuS vs. n-BuS on the topology, Cu⋯Cu distances and luminescence properties of 2D Cu4I4/RS(CH2)4SR metal‒organic frameworks","New Journal of Chemistry","2011","35","6","1184","","10.1039/c0nj00923g","","","0.71073","MoKα","","0.0479","0.0396","","","0.0821","0.0859","","","","","","1.162","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052654","10.2016","0.0004","18.2596","0.0008","20.2098","0.0006","90","","90","","90","","3764.6","0.2","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H26 Cu2 I2 S2 -","- C12 H26 Cu2 I2 S2 -","- C96 H208 Cu16 I16 S16 -","8","1","","Knorr, Michael; Guyon, Fabrice; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Harvey, Pierre D.","Effect of t-BuS vs. n-BuS on the topology, Cu⋯Cu distances and luminescence properties of 2D Cu4I4/RS(CH2)4SR metal‒organic frameworks","New Journal of Chemistry","2011","35","6","1184","","10.1039/c0nj00923g","","","0.71073","MoKα","","0.0756","0.0566","","","0.103","0.1124","","","","","","1.111","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052655","16.6165","0.0013","19.3662","0.0015","45.961","0.004","90","","96.779","0.001","90","","14687","2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H70.8 Cl6 Cu8 Dy2 N12 O25.4 -","- C60 H52 Cl6 Cu8 Dy2 N12 O16 -","- C360 H312 Cl36 Cu48 Dy12 N72 O96 -","6","1.5","","Borta, Ana; Jeanneau, Erwann; Chumakov, Yuri; Luneau, Dominique; Ungur, Liviu; Chibotaru, Liviu F.; Wernsdorfer, Wolfgang","Synthesis, structure, magnetism and theoretical study of a series of complexes with a decanuclear core [Ln(iii)2Cu(ii)8] (Ln = Y, Gd, Tb, Dy)","New Journal of Chemistry","2011","35","6","1270","","10.1039/c0nj00931h","","","0.71073","MoKα","","0.0834","0.0449","","0.1484","0.086","0.1484","","","","","","1.1696","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052656","16.4096","0.0013","19.7554","0.0015","45.583","0.004","90","","95.465","0.001","90","","14710","2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H70.6 Cl6 Cu8 Gd2 N12 O25.3 -","- C60 H52 Cl6 Cu8 Gd2 N12 O16 -","- C360 H312 Cl36 Cu48 Gd12 N72 O96 -","6","1.5","","Borta, Ana; Jeanneau, Erwann; Chumakov, Yuri; Luneau, Dominique; Ungur, Liviu; Chibotaru, Liviu F.; Wernsdorfer, Wolfgang","Synthesis, structure, magnetism and theoretical study of a series of complexes with a decanuclear core [Ln(iii)2Cu(ii)8] (Ln = Y, Gd, Tb, Dy)","New Journal of Chemistry","2011","35","6","1270","","10.1039/c0nj00931h","","","0.71073","MoKα","","0.0852","0.0465","","0.1441","0.0854","0.1441","","","","","","1.1727","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052657","16.717","0.003","19.241","0.004","45.634","0.009","90","","96.53","0.03","90","","14583","5","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H70.6 Cl6 Cu8 N12 O25.3 Tb2 -","- C60 H52 Cl6 Cu8 N12 O16 Tb2 -","- C360 H312 Cl36 Cu48 N72 O96 Tb12 -","6","1.5","","Borta, Ana; Jeanneau, Erwann; Chumakov, Yuri; Luneau, Dominique; Ungur, Liviu; Chibotaru, Liviu F.; Wernsdorfer, Wolfgang","Synthesis, structure, magnetism and theoretical study of a series of complexes with a decanuclear core [Ln(iii)2Cu(ii)8] (Ln = Y, Gd, Tb, Dy)","New Journal of Chemistry","2011","35","6","1270","","10.1039/c0nj00931h","","","0.71073","MoKα","","0.1081","0.0659","","0.1817","0.1227","0.1817","","","","","","1.0283","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052658","16.5041","0.0016","19.2258","0.0018","45.343","0.004","90","","96.87","0.002","90","","14284","2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H78.2 Cl6 Cu8 N12 O29.1 Y2 -","- C60 H52 Cl6 Cu8 N12 O16 Y2 -","- C360 H312 Cl36 Cu48 N72 O96 Y12 -","6","1.5","","Borta, Ana; Jeanneau, Erwann; Chumakov, Yuri; Luneau, Dominique; Ungur, Liviu; Chibotaru, Liviu F.; Wernsdorfer, Wolfgang","Synthesis, structure, magnetism and theoretical study of a series of complexes with a decanuclear core [Ln(iii)2Cu(ii)8] (Ln = Y, Gd, Tb, Dy)","New Journal of Chemistry","2011","35","6","1270","","10.1039/c0nj00931h","","","0.71073","MoKα","","0.0862","0.0588","","0.2221","0.1533","0.2221","","","","","","1.0438","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052659","9.0124","0.0002","19.4857","0.0004","14.471","0.0003","90","","96.089","0.001","90","","2526.96","0.09","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 Fe Mn N2 O19 -","- C15 H28 Fe Mn N2 O19 -","- C60 H112 Fe4 Mn4 N8 O76 -","4","1","","Maxim, Catalin; Ferlay, Sylvie; Train, Cyrille","Binuclear heterometallic M(iii)‒Mn(ii) (M = Fe, Cr) oxalate-bridged complexes associated with a bisamidinium dication: a structural and magnetic study","New Journal of Chemistry","2011","35","6","1254","","10.1039/c0nj00976h","","","0.71073","MoKα","","0.037","0.0275","","","0.0736","0.0799","","","","","","0.868","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052660","9.003","0.0002","19.3913","0.0005","14.5081","0.0004","90","","96.087","0.001","90","","2518.54","0.11","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 Cr Mn N2 O19 -","- C15 H28 Cr Mn N2 O19 -","- C60 H112 Cr4 Mn4 N8 O76 -","4","1","","Maxim, Catalin; Ferlay, Sylvie; Train, Cyrille","Binuclear heterometallic M(iii)‒Mn(ii) (M = Fe, Cr) oxalate-bridged complexes associated with a bisamidinium dication: a structural and magnetic study","New Journal of Chemistry","2011","35","6","1254","","10.1039/c0nj00976h","","","0.71073","MoKα","","0.092","0.0862","","","0.2217","0.2316","","","","","","1.015","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052661","17.0127","0.0009","9.5391","0.0005","26.1916","0.0013","90","","102.583","0.002","90","","4148.4","0.4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H62 N4 O2 -","- C49 H62 N4 O2 -","- C196 H248 N16 O8 -","4","1","","Aravindu, Kunche; Krayer, Michael; Kim, Han-Je; Lindsey, Jonathan S.","Facile synthesis of a B,D-tetradehydrocorrin and rearrangement to bacteriochlorins","New Journal of Chemistry","2011","35","7","1376","","10.1039/c1nj20027e","","","0.71073","MoKα","","0.1499","0.0939","","","0.249","0.2866","","","","","","1.061","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052662","5.1642","0.0002","7.4945","0.0003","8.4337","0.0003","94.823","0.002","96.022","0.003","101.486","0.003","316.26","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 N4 O4 -","- C8 H22 N4 O4 -","- C8 H22 N4 O4 -","1","0.5","","Martí-Rujas, Javier; Kariuki, Benson M.; Hughes, Colan E.; Morte-Ródenas, Anabel; Guo, Fang; Glavcheva-Laleva, Zornitza; Taştemür, Kemal; Ooi, Li-ling; Yeo, Lily; Harris, Kenneth D. M.","Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes","New Journal of Chemistry","2011","35","7","1515","","10.1039/c1nj20040b","","","1.54178","CuKα","","0.0532","0.0506","","","0.1465","0.1505","","","","","","1.066","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052663","10.609","0.0005","5.2","0.0003","14.302","0.0007","90","","112.627","0.004","90","","728.27","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N4 O4 -","- C10 H26 N4 O4 -","- C20 H52 N8 O8 -","2","0.5","","Martí-Rujas, Javier; Kariuki, Benson M.; Hughes, Colan E.; Morte-Ródenas, Anabel; Guo, Fang; Glavcheva-Laleva, Zornitza; Taştemür, Kemal; Ooi, Li-ling; Yeo, Lily; Harris, Kenneth D. M.","Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes","New Journal of Chemistry","2011","35","7","1515","","10.1039/c1nj20040b","","","0.71073","MoKα","","0.0985","0.0612","","","0.1428","0.162","","","","","","1.055","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052664","5.1899","0.0002","7.4045","0.0003","11.2621","0.0005","99.469","0.002","96.754","0.002","101.269","0.003","413.61","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H30 N4 O4 -","- C12 H30 N4 O4 -","- C12 H30 N4 O4 -","1","0.5","","Martí-Rujas, Javier; Kariuki, Benson M.; Hughes, Colan E.; Morte-Ródenas, Anabel; Guo, Fang; Glavcheva-Laleva, Zornitza; Taştemür, Kemal; Ooi, Li-ling; Yeo, Lily; Harris, Kenneth D. M.","Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes","New Journal of Chemistry","2011","35","7","1515","","10.1039/c1nj20040b","","","0.71073","MoKα","","0.0999","0.0645","","","0.1702","0.1962","","","","","","1.042","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052665","5.1986","0.0003","7.4194","0.0005","12.423","0.0009","88.755","0.004","79.063","0.004","78.612","0.003","461.13","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H34 N4 O4 -","- C14 H34 N4 O4 -","- C14 H34 N4 O4 -","1","0.5","","Martí-Rujas, Javier; Kariuki, Benson M.; Hughes, Colan E.; Morte-Ródenas, Anabel; Guo, Fang; Glavcheva-Laleva, Zornitza; Taştemür, Kemal; Ooi, Li-ling; Yeo, Lily; Harris, Kenneth D. M.","Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes","New Journal of Chemistry","2011","35","7","1515","","10.1039/c1nj20040b","","","0.71073","MoKα","","0.1154","0.0658","","","0.1572","0.1857","","","","","","1.027","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052666","5.2049","0.0003","7.4169","0.0005","13.6376","0.0009","95.676","0.004","97.552","0.004","101.479","0.003","507.21","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H38 N4 O4 -","- C16 H38 N4 O4 -","- C16 H38 N4 O4 -","1","0.5","","Martí-Rujas, Javier; Kariuki, Benson M.; Hughes, Colan E.; Morte-Ródenas, Anabel; Guo, Fang; Glavcheva-Laleva, Zornitza; Taştemür, Kemal; Ooi, Li-ling; Yeo, Lily; Harris, Kenneth D. M.","Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes","New Journal of Chemistry","2011","35","7","1515","","10.1039/c1nj20040b","","","0.71073","MoKα","","0.1142","0.0706","","","0.1732","0.199","","","","","","1.052","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052667","5.1973","0.0005","7.3964","0.0012","15.0141","0.0016","103.295","0.004","92.698","0.003","101.711","0.005","547.33","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H42 N4 O4 -","- C18 H42 N4 O4 -","- C18 H42 N4 O4 -","1","0.5","","Martí-Rujas, Javier; Kariuki, Benson M.; Hughes, Colan E.; Morte-Ródenas, Anabel; Guo, Fang; Glavcheva-Laleva, Zornitza; Taştemür, Kemal; Ooi, Li-ling; Yeo, Lily; Harris, Kenneth D. M.","Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes","New Journal of Chemistry","2011","35","7","1515","","10.1039/c1nj20040b","","","0.71073","MoKα","","0.0589","0.0556","","","0.1649","0.165","","","","","","1.105","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052668","9.1429","0.0012","19.388","0.003","21.699","0.003","90","","90","","90","","3846.4","0.9","93.15","","93.15","","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","Tris-ethylenediamine cadmium(ii) bis-biphenyldithiolate cadmium(ii) ethylenediamine","Tris-ethylenediamine cadmium(II) bis-biphenyldithiolate cadmium(II) ethylenediamine","","- C32 H48 Cd2 N8 S4 -","- C32 H44 Cd2 N8 S4 -","- C128 H176 Cd8 N32 S16 -","4","1","","Louvain, Nicolas; Takashima, Yohei; Kitagawa, Susumu; Furukawa, Shuhei","Thermodynamically controlled coordination-engineering of novel 2D cadmium thiolate coordination polymers","New Journal of Chemistry","2011","35","6","1265","","10.1039/c1nj20042a","","x-ray","0.71073","MoKα","","0.0398","0.038","","","0.1001","0.1024","","","","","","1.055","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052669","9.3757","0.0011","16.437","0.002","23.66","0.003","87.968","0.003","83.848","0.003","85.414","0.003","3612.3","0.8","93.15","","93.15","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H88 Cd4 N12 S8 -","- C66 H82 Cd4 N12 S8 -","- C132 H164 Cd8 N24 S16 -","2","1","","Louvain, Nicolas; Takashima, Yohei; Kitagawa, Susumu; Furukawa, Shuhei","Thermodynamically controlled coordination-engineering of novel 2D cadmium thiolate coordination polymers","New Journal of Chemistry","2011","35","6","1265","","10.1039/c1nj20042a","","x-ray","0.71073","MoKα","","0.0399","0.0354","","","0.0792","0.0808","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052670","8.2439","0.0003","21.1076","0.0009","22.4715","0.0008","90","","90","","90","","3910.2","0.3","93.15","","93.15","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","N,N-diethyl-1,3-propanediamine biphenyldithiolate cadmium(ii)","N,N-diethyl-1,3-propanediamine biphenyldithiolate cadmium(II)","","- C19 H26 Cd N2 S2 -","- C19 H26 Cd N2 S2 -","- C152 H208 Cd8 N16 S16 -","8","1","","Louvain, Nicolas; Takashima, Yohei; Kitagawa, Susumu; Furukawa, Shuhei","Thermodynamically controlled coordination-engineering of novel 2D cadmium thiolate coordination polymers","New Journal of Chemistry","2011","35","6","1265","","10.1039/c1nj20042a","","x-ray","0.71073","MoKα","","0.032","0.0285","","","0.0638","0.0657","","","","","","1.161","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052671","9.776","0.002","12.364","0.003","18.48","0.004","73.75","0.03","80.53","0.03","76.89","0.03","2076.3","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","2","","Yuan, Yang; Li, Di; Zhang, Xueqiang; Zhao, Xingjia; Liu, Yu; Zhang, Jingying; Wang, Yue","Phenanthroimidazole-derivative semiconductors as functional layer in high performance OLEDs","New Journal of Chemistry","2011","35","7","1534","","10.1039/c1nj20072k","","","0.71073","MoKα","","0.0776","0.0465","","","0.1234","0.1354","","","","","","1.058","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052672","10.527","0.002","18.843","0.004","20.461","0.004","90","","90","","90","","4058.6","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C224 H160 N16 -","8","2","","Yuan, Yang; Li, Di; Zhang, Xueqiang; Zhao, Xingjia; Liu, Yu; Zhang, Jingying; Wang, Yue","Phenanthroimidazole-derivative semiconductors as functional layer in high performance OLEDs","New Journal of Chemistry","2011","35","7","1534","","10.1039/c1nj20072k","","","0.71073","MoKα","","0.1638","0.0732","","","0.11","0.1333","","","","","","0.984","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052673","13.726","0.003","8.4643","0.0017","19.367","0.004","90","","109.14","0.03","90","","2125.7","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 -","- C29 H22 N2 -","- C116 H88 N8 -","4","1","","Yuan, Yang; Li, Di; Zhang, Xueqiang; Zhao, Xingjia; Liu, Yu; Zhang, Jingying; Wang, Yue","Phenanthroimidazole-derivative semiconductors as functional layer in high performance OLEDs","New Journal of Chemistry","2011","35","7","1534","","10.1039/c1nj20072k","","","0.71073","MoKα","","0.1475","0.074","","","0.1596","0.191","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052674","11.276","0.0014","21.607","0.003","21.504","0.003","90","","93.406","0.001","90","","5230","1.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 Cr3 N O18 S -","- C45.637 H43.936 Cr3 N O17.694 S -","- C182.548 H175.744 Cr12 N4 O70.776 S4 -","4","1","","Corradini, Valdis; Cervetti, Christian; Ghirri, Alberto; Biagi, Roberto; del Pennino, Umberto; Timco, Grigore A.; Winpenny, Richard E. P.; Affronte, Marco","Oxo-centered carboxylate-bridged trinuclear complexes deposited on Au(111) by a mass-selective electrospray","New Journal of Chemistry","2011","35","8","1683","","10.1039/c1nj20080a","","x-ray","0.671","synchrotron","","0.1566","0.1287","","","0.2788","0.2899","","","","","","1.168","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052675","9.823","0.0005","10.356","0.0006","10.74","0.0006","63.59","0.003","76.146","0.003","70.354","0.002","916.31","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 Zn -","- C20 H20 N2 O2 Zn -","- C40 H40 N4 O4 Zn2 -","2","1","","Poulter, Neil; Donaldson, Matthew; Mulley, Geraldine; Duque, Luis; Waterfield, Nicholas; Shard, Alex G.; Spencer, Steve; Jenkins, A. Tobias A.; Johnson, Andrew L.","Plasma deposited metal Schiff-base compounds as antimicrobials","New Journal of Chemistry","2011","35","7","1477","","10.1039/c1nj20091g","","","0.71073","MoKα","","0.0741","0.0527","","","0.1258","0.14","","","","","","1.105","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052676","10.713","0.0002","7.356","0.0001","22.324","0.0004","90","","102.898","0.001","90","","1714.85","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cu N2 O2 -","- C20 H20 Cu N2 O2 -","- C80 H80 Cu4 N8 O8 -","4","1","","Poulter, Neil; Donaldson, Matthew; Mulley, Geraldine; Duque, Luis; Waterfield, Nicholas; Shard, Alex G.; Spencer, Steve; Jenkins, A. Tobias A.; Johnson, Andrew L.","Plasma deposited metal Schiff-base compounds as antimicrobials","New Journal of Chemistry","2011","35","7","1477","","10.1039/c1nj20091g","","","0.71073","MoKα","","0.0439","0.0339","","","0.0856","0.091","","","","","","1.039","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052677","12.4835","0.0005","12.6087","0.0005","17.541","0.0006","89.168","0.002","84.144","0.002","72.748","0.002","2622.63","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H27 B F24 N7 O2 Rh -","- C50 H27 B F24 N7 O2 Rh -","- C100 H54 B2 F48 N14 O4 Rh2 -","2","1","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.06","0.0482","","","0.1056","0.1088","","","","","","1.993","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052678","12.7888","0.0006","36.1479","0.0019","22.5803","0.0012","90","","97.565","0.003","90","","10347.8","0.9","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H57 B2 Cl F48 N12 O6 Rh2 -","- C94.5 H56 B2 Cl F48 N12 O6 Rh2 -","- C378 H224 B8 Cl4 F192 N48 O24 Rh8 -","4","1","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.2028","0.0789","","","0.1696","0.2294","","","","","","0.999","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052679","12.7104","0.0005","12.8002","0.0005","18.2119","0.0007","80.389","0.002","74.396","0.002","81.914","0.002","2799.4","0.19","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H39 B F24 N7 Rh -","- C56 H39 B F24 N7 Rh -","- C112 H78 B2 F48 N14 Rh2 -","2","2","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.0643","0.0608","","","0.1511","0.1534","","","","","","2.732","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052680","19.3288","0.0006","16.2023","0.0005","17.9993","0.0006","90","","100.6","0.002","90","","5540.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H39 B F24 N7 Rh -","- C56 H39 B F24 N7 Rh -","- C224 H156 B4 F96 N28 Rh4 -","4","1","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.0582","0.0442","","","0.1302","0.1455","","","","","","1.054","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052681","14.7482","0.0017","21.214","0.003","25.12","0.003","90","","90","","90","","7859.3","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H47 B N7 Rh -","- C48 H47 B N7 Rh -","- C384 H376 B8 N56 Rh8 -","8","1","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.3212","0.0856","","","0.1576","0.2637","","","","","","0.893","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052682","13.7477","0.0004","17.6434","0.0006","22.8544","0.0007","90","","100.748","0.001","90","","5446.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H40 B F24 N6 O Rh -","- C53 H40 B F23.88 N6 O Rh -","- C212 H160 B4 F95.52 N24 O4 Rh4 -","4","1","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.0661","0.0519","","","0.1659","0.1817","","","","","","1.413","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052683","12.6013","0.0008","12.8203","0.0008","18.6347","0.0012","76.517","0.003","70.71","0.003","81.166","0.003","2753.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H35 B F24 N7 Rh -","- C55 H35 B F24 N7 Rh -","- C110 H70 B2 F48 N14 Rh2 -","2","1","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.1292","0.0753","","","0.189","0.2188","","","","","","1.25","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052684","40.121","0.002","12.7579","0.0007","24.5524","0.0012","90","","102.969","0.001","90","","12246.8","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 B F24 N7 Rh -","- C58 H42 B F24 N7 Rh -","- C464 H336 B8 F192 N56 Rh8 -","8","1","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.0726","0.0575","","","0.1734","0.186","","","","","","1.373","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052685","10.989","0.004","11.905","0.004","23.737","0.007","90","","90","","90","","3105.4","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7.5 Cl0.5 N O2 -","- C15 H15 Cl N2 O4 -","- C120 H120 Cl8 N16 O32 -","8","1","","Majumdar, K. C.; Ganai, Sintu; Nandi, Raj Kumar","Regioselective synthesis of pyrimidine-annulated spiro-dihydrofurans by silver-catalyzed 5-endo-dig cyclization","New Journal of Chemistry","2011","35","7","1355","","10.1039/c1nj20121b","","","0.71073","MoKα","","0.0486","0.0413","","","0.1134","0.1195","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052686","12.3481","0.0006","15.7551","0.0008","16.7496","0.0009","105.903","0.002","108.938","0.002","93.046","0.002","2927.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N4 O3 -","- C30 H34 N4 O3 -","- C120 H136 N16 O12 -","4","2","","Maiti, Barnali; Sun, Chung-Ming","Novel approach towards the synthesis of skeletally diverse benzimidazole-pyrrolo[1,2-a]quinoxaline by SNAr/Pictet‒Spengler reaction under focused microwave irradiation","New Journal of Chemistry","2011","35","7","1385","","10.1039/c1nj20153k","","","0.71073","MoKα","","0.1378","0.0861","","","0.2406","0.2707","","","","","","0.956","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052687","5.2175","0.0005","10.5765","0.001","34.092","0.003","90","","90.726","0.002","90","","1881.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 F6 O6 S8 Zn -","- C34 H24 F6 O6 S8 Zn -","- C68 H48 F12 O12 S16 Zn2 -","2","0.5","","Wang, Yu; Li, Bo; Huang, Guolong; Zhang, Jing-Ping; Zhang, Yan","An asymmetric TTF derivative bearing a phenyl β-diketone group as an efficient ligand towards functional materials","New Journal of Chemistry","2011","35","7","1472","","10.1039/c1nj20167k","","","0.71073","MoKα","","0.0809","0.0559","","","0.1275","0.1412","","","","","","1.048","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052688","4.9287","0.0007","13.501","0.002","14.126","0.002","90","","90","","90","","940","0.2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C40 H20 I4 O12 -","4","1","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.0236","0.023","","","0.0557","0.056","","","","","","1.112","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052689","15.725","0.007","14.103","0.006","14.188","0.006","90","","115.484","0.006","90","","2840","2","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C120 H60 I12 O36 -","12","3","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.0223","0.0219","","","0.0568","0.057","","","","","","1.031","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052690","37.766","0.006","4.9473","0.0008","15.836","0.003","90","","106.025","0.002","90","","2843.8","0.8","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C120 H60 I12 O36 -","12","3","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.0454","0.0421","","","0.097","0.0993","","","","","","1.08","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052691","14.5758","0.0004","15.5947","0.0004","14.6354","0.0004","90","","90.907","0.001","90","","3326.29","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(9-hydroxyfluoren-9-yl)benzene. 2-picoline clathrate","1,4-bis(9-hydroxyfluoren-9-yl)benzene. 2-picoline clathrate","","- C44 H36 N2 O2 -","- C44 H32 N2 O2 -","- C176 H128 N8 O8 -","4","1","","Bourne, Susan A.; Corin, Kirsten; Cruickshank, Dyanne L.; Davson, Jessica; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Enclathration of bases by a fluorenyl host: structure, stability and selectivity","New Journal of Chemistry","2011","35","7","1556","","10.1039/c1nj20241c","","","0.71073","MoKα","","0.1071","0.0615","","","0.1563","0.1787","","","","","","0.991","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052692","9.4854","0.0002","13.3617","0.0003","14.0639","0.0004","82.287","0.001","81.067","0.001","72.23","0.001","1669.69","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,4-bis(9-hydroxyfluoren-9-yl)benzene. 3-picoline clathrate","1,4-bis(9-hydroxyfluoren-9-yl)benzene. 3-picoline clathrate","","- C44 H36 N2 O2 -","- C44 H36 N2 O2 -","- C88 H72 N4 O4 -","2","1","","Bourne, Susan A.; Corin, Kirsten; Cruickshank, Dyanne L.; Davson, Jessica; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Enclathration of bases by a fluorenyl host: structure, stability and selectivity","New Journal of Chemistry","2011","35","7","1556","","10.1039/c1nj20241c","","","0.71073","MoKα","","0.085","0.0422","","","0.0913","0.107","","","","","","0.932","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052693","8.1529","0.0001","8.4848","0.0001","12.4124","0.0003","93.615","0.001","90.803","0.001","103.788","0.001","831.86","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,4-bis(9-hydroxyfluoren-9-yl)benzene. 4-picoline clathrate","1,4-bis(9-hydroxyfluoren-9-yl)benzene. 4-picoline clathrate","","- C44 H36 N2 O2 -","- C44 H36 N2 O2 -","- C44 H36 N2 O2 -","1","0.5","","Bourne, Susan A.; Corin, Kirsten; Cruickshank, Dyanne L.; Davson, Jessica; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Enclathration of bases by a fluorenyl host: structure, stability and selectivity","New Journal of Chemistry","2011","35","7","1556","","10.1039/c1nj20241c","","","0.71073","MoKα","","0.0598","0.0424","","","0.1054","0.112","","","","","","1.077","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052694","16.8977","0.0002","13.9004","0.0002","28.3312","0.0004","90","","90.103","0.001","90","","6654.56","0.16","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-bis(9-hydroxyfluoren-9-yl)benzene. 4-picoline and morpholine clathrate","","- C42 H38 N2 O3 -","- C42 H38 N2 O3 -","- C336 H304 N16 O24 -","8","1","","Bourne, Susan A.; Corin, Kirsten; Cruickshank, Dyanne L.; Davson, Jessica; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Enclathration of bases by a fluorenyl host: structure, stability and selectivity","New Journal of Chemistry","2011","35","7","1556","","10.1039/c1nj20241c","","","0.71073","MoKα","","0.0803","0.0441","","","0.1029","0.1167","","","","","","1.016","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7052695","8.9644","0.0003","9.5296","0.0003","10.7651","0.0004","101.681","0.001","91.685","0.002","114.011","0.002","816.21","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,4-bis(9-hydroxyfluoren-9-yl)benzene. morpholine clathrate","","- C40 H40 N2 O4 -","- C40 H40 N2 O4 -","- C40 H40 N2 O4 -","1","0.5","","Bourne, Susan A.; Corin, Kirsten; Cruickshank, Dyanne L.; Davson, Jessica; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Enclathration of bases by a fluorenyl host: structure, stability and selectivity","New Journal of Chemistry","2011","35","7","1556","","10.1039/c1nj20241c","","","0.71073","MoKα","","0.0815","0.0424","","","0.0932","0.1048","","","","","","1.021","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052696","8.8538","0.0003","10.4545","0.0004","17.0843","0.0008","90","","97.838","0.002","90","","1566.58","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4-bis(9-hydroxyfluoren-9-yl)benzene. pyridine clathrate","1,4-bis(9-hydroxyfluoren-9-yl)benzene. pyridine clathrate","","- C42 H32 N2 O2 -","- C42 H32 N2 O2 -","- C84 H64 N4 O4 -","2","0.5","","Bourne, Susan A.; Corin, Kirsten; Cruickshank, Dyanne L.; Davson, Jessica; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Enclathration of bases by a fluorenyl host: structure, stability and selectivity","New Journal of Chemistry","2011","35","7","1556","","10.1039/c1nj20241c","","","0.71073","MoKα","","0.0882","0.0399","","","0.0816","0.0935","","","","","","0.899","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052697","13.8523","0.0012","24.2553","0.0011","25.6268","0.0013","90","","100.963","0.006","90","","8453.3","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C255.85 H119.85 Cl4.3 N13.85 O8 Zn2 -","- C255.846 H119.846 Cl4.308 N13.846 O8 Zn2 -","- C511.692 H239.692 Cl8.616 N27.692 O16 Zn4 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Magnetic properties and stability of negatively charged doubly bonded C1202− dimers","New Journal of Chemistry","2011","35","9","1829","","10.1039/c1nj20074g","","","0.7107","MoKα","","0.1354","0.0906","","","0.1737","0.1956","","","","","","1.1","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052698","20.103","0.004","18.97","0.004","6.312","0.0013","90","","105.13","0.03","90","","2323.7","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Cu5 K2 N4 O19 -","- C12 H8 Cu5 K2 N4 O19 -","- C48 H32 Cu20 K8 N16 O76 -","4","0.5","","Lago, Ana B.; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Casado, Francisco J. M.; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","A three-dimensional copper(ii) 12-metallacrown-4 complex with malonomonohydroxamic acid (H3mmh) as a ligand","New Journal of Chemistry","2011","35","9","1817","","10.1039/c1nj20184k","","","0.7513","","","0.1049","0.099","","","0.26","0.2654","","","","","","1.112","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052699","17.3392","0.0002","12.8333","0.0002","30.5957","0.0004","90","","97.517","0.001","90","","6749.62","0.16","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C64 H71 B Cl2 F20 Fe I Ir O2 P2 -","- C64 H71 B Cl2 F20 Fe I Ir O2 P2 -","- C256 H284 B4 Cl8 F80 Fe4 I4 Ir4 O8 P8 -","4","1","","Walter, Marc D.; White, Peter S.","[Cp′FeI]2 as convenient entry into iron-modified pincer complexes: bimetallic η6,κ1-POCOP-pincer iron iridium compounds","New Journal of Chemistry","2011","35","9","1842","","10.1039/c1nj20399a","","","0.71073","MoKα","","0.0333","0.0254","","","0.0555","0.0581","","","","","","1.025","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052700","8.285","0.0002","12.3186","0.0002","13.351","0.0002","100.781","0.001","95.673","0.001","104.308","0.001","1281.87","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H39 I Ir O2 P2 -","- C22 H39 I Ir O2 P2 -","- C44 H78 I2 Ir2 O4 P4 -","2","1","","Walter, Marc D.; White, Peter S.","[Cp′FeI]2 as convenient entry into iron-modified pincer complexes: bimetallic η6,κ1-POCOP-pincer iron iridium compounds","New Journal of Chemistry","2011","35","9","1842","","10.1039/c1nj20399a","","","0.71073","MoKα","","0.0377","0.032","","","0.0654","0.0683","","","","","","1.042","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052701","13.9554","0.0002","18.5992","0.0003","15.2199","0.0003","90","","113.895","0.001","90","","3611.87","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Fe2 I2 -","- C34 H58 Fe2 I2 -","- C136 H232 Fe8 I8 -","4","1","","Walter, Marc D.; White, Peter S.","[Cp′FeI]2 as convenient entry into iron-modified pincer complexes: bimetallic η6,κ1-POCOP-pincer iron iridium compounds","New Journal of Chemistry","2011","35","9","1842","","10.1039/c1nj20399a","","","1.54178","CuKα","","0.0328","0.0296","","","0.0718","0.0734","","","","","","1.068","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052702","20.4092","0.0004","11.168","0.0002","27.512","0.0005","90","","96.086","0.001","90","","6235.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Fe -","- C34 H58 Fe -","- C272 H464 Fe8 -","8","2","","Walter, Marc D.; White, Peter S.","[Cp′FeI]2 as convenient entry into iron-modified pincer complexes: bimetallic η6,κ1-POCOP-pincer iron iridium compounds","New Journal of Chemistry","2011","35","9","1842","","10.1039/c1nj20399a","","","1.54178","CuKα","","0.0617","0.0435","","","0.1004","0.1083","","","","","","1.026","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052703","19.373","0.0005","11.056","0.0003","19.6321","0.0005","90","","104.548","0.002","90","","4070.14","0.19","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 F6 N3 P Ru -","- C16 H24 F6 N3 P Ru -","- C128 H192 F48 N24 P8 Ru8 -","8","1","","Trujillo, Alexander; Justaud, Frédéric; Toupet, Loïc; Cador, Olivier; Carrillo, David; Manzur, Carolina; Hamon, Jean-René","New copper(ii)-centered complexes with organometallic donor‒acceptor substituted unsymmetrical Schiff base ligands","New Journal of Chemistry","2011","35","10","2027","","10.1039/c0nj01018a","","","0.71069","MoKα","","0.0307","0.0274","","","0.0798","0.0814","","","","","","1.044","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7052704","8.4612","0.0004","21.2485","0.0009","13.5664","0.0006","90","","91.226","0.003","90","","2438.51","0.19","100","1","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br Cu Fe N2 O3 -","- C28 H25 Br Cu Fe N2 O3 -","- C112 H100 Br4 Cu4 Fe4 N8 O12 -","4","1","","Trujillo, Alexander; Justaud, Frédéric; Toupet, Loïc; Cador, Olivier; Carrillo, David; Manzur, Carolina; Hamon, Jean-René","New copper(ii)-centered complexes with organometallic donor‒acceptor substituted unsymmetrical Schiff base ligands","New Journal of Chemistry","2011","35","10","2027","","10.1039/c0nj01018a","","","0.71069","MoKα","","0.0985","0.0376","","","0.0812","0.0922","","","","","","0.642","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052705","6.3749","0.0002","20.3759","0.0006","12.154","0.0003","90","","112.878","0.001","90","","1454.54","0.07","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 O5 P S W -","- C11 H9 O5 P S W -","- C44 H36 O20 P4 S4 W4 -","4","1","","Duffy, Matthew P.; Lin, Yuhan; Ting, Liow Yu; Mathey, François","Intramolecular [4+2] versus [2+2] cycloadditions in P‒X‒P-linked biphospholes (X = O, S)","New Journal of Chemistry","2011","35","10","2001","","10.1039/c1nj20087a","","","0.71073","MoKα","","0.0344","0.0285","","","0.063","0.0653","","","","","","1.15","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052706","20.3643","0.0008","6.62","0.0003","20.5323","0.0008","90","","97.883","0.002","90","","2741.8","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O10 P2 S W2 -","- C22 H16 O10 P2 S W2 -","- C88 H64 O40 P8 S4 W8 -","4","1","","Duffy, Matthew P.; Lin, Yuhan; Ting, Liow Yu; Mathey, François","Intramolecular [4+2] versus [2+2] cycloadditions in P‒X‒P-linked biphospholes (X = O, S)","New Journal of Chemistry","2011","35","10","2001","","10.1039/c1nj20087a","","","0.71073","MoKα","","0.0586","0.0442","","","0.1049","0.1188","","","","","","1.093","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052707","8.3454","0.0001","9.5569","0.0001","17.296","0.0002","97.99","","98.728","0.001","98.47","","1330.12","0.03","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 O10 P2 S W2 -","- C22 H16 O10 P2 S W2 -","- C44 H32 O20 P4 S2 W4 -","2","1","","Duffy, Matthew P.; Lin, Yuhan; Ting, Liow Yu; Mathey, François","Intramolecular [4+2] versus [2+2] cycloadditions in P‒X‒P-linked biphospholes (X = O, S)","New Journal of Chemistry","2011","35","10","2001","","10.1039/c1nj20087a","","","0.71073","MoKα","","0.0252","0.0209","","","0.0472","0.0488","","","","","","1.054","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052708","11.498","0.006","29.702","0.016","31.391","0.017","90","","97.333","0.005","90","","10633","10","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106.48 H116.48 Cl2.45 N5 O11 -","- C106.484 H116.484 Cl2.452 N5 O11 -","- C425.936 H465.936 Cl9.808 N20 O44 -","4","1","","Evans, Nicholas H.; Serpell, Christopher J.; Beer, Paul D.","A meta-xylenediamide macrocycle containing rotaxane anion host system constructed by a new synthetic clipping methodology","New Journal of Chemistry","2011","35","10","2047","","10.1039/c1nj20109c","","","0.6889","Synchrotron","","0.2083","0.1371","","0.0895","0.0616","0.0616","","","","","","1.1455","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052709","19.605","0.005","15.173","0.005","23.927","0.005","90","","90","","90","","7117","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H72 Br4 Cl0 N4 Pd2 -","- C62 H72 Br4 N4 Pd2 -","- C248 H288 Br16 N16 Pd8 -","4","0.5","","Vasudevan, Kalyan V.; Cowley, Alan H.","New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand","New Journal of Chemistry","2011","35","10","2043","","10.1039/c1nj20128j","","","0.71069","MoKα","","0.1095","0.0672","","","0.1729","0.1906","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052710","19.46","0.005","15.257","0.005","23.428","0.005","90","","90","","90","","6956","3","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H76 Cl8 N4 Pd2 -","- C62 H72 Cl4 N4 Pd2 -","- C248 H288 Cl16 N16 Pd8 -","4","0.5","","Vasudevan, Kalyan V.; Cowley, Alan H.","New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand","New Journal of Chemistry","2011","35","10","2043","","10.1039/c1nj20128j","","","0.71069","MoKα","","0.1088","0.0557","","","0.1312","0.1456","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052711","10.37","0.005","22.405","0.005","15.448","0.005","90","","95.681","0.005","90","","3572","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H74 Cl2 I6 In2 N4 -","- C62 H72 I6 In2 N4 -","- C124 H144 I12 In4 N8 -","2","0.5","","Vasudevan, Kalyan V.; Cowley, Alan H.","New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand","New Journal of Chemistry","2011","35","10","2043","","10.1039/c1nj20128j","","","0.71069","MoKα","","0.1168","0.0545","","","0.1248","0.14","","","","","","0.921","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052712","11.676","0.005","17.25","0.005","18.117","0.005","90","","91.994","0.005","90","","3647","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H76 Cl10 In2 N4 -","- C62 H72 Cl6 In2 N4 -","- C124 H144 Cl12 In4 N8 -","2","0.5","","Vasudevan, Kalyan V.; Cowley, Alan H.","New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand","New Journal of Chemistry","2011","35","10","2043","","10.1039/c1nj20128j","","","0.71069","MoKα","","0.0793","0.0478","","","0.1273","0.1377","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052713","10.178","0.005","21.687","0.005","15.394","0.005","90","","92.761","0.005","90","","3394","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H74 Br6 Cl2 In2 N4 -","- C62 H72 Br6 In2 N4 -","- C124 H144 Br12 In4 N8 -","2","0.5","","Vasudevan, Kalyan V.; Cowley, Alan H.","New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand","New Journal of Chemistry","2011","35","10","2043","","10.1039/c1nj20128j","","","0.71069","MoKα","","0.0954","0.051","","","0.0955","0.1049","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052714","7.7765","0.0006","8.343","0.0006","9.3377","0.0008","91.786","0.006","106.387","0.007","90.049","0.006","580.9","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C22 H28 N8 O4 -","2","2","","Jozak, Thomas; Sun, Yu; Thiel, Werner R.","Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles","New Journal of Chemistry","2011","35","10","2114","","10.1039/c1nj20148d","","","1.54184","CuKα","","0.0414","0.0398","","","0.1049","0.1061","","","","","","1.068","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052715","9.8264","0.0002","11.8915","0.0002","16.8036","0.0004","90","","100.463","0.002","90","","1930.86","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H19 F6 N4 O2 P Pd -","- C14 H19 F6 N4 O2 P Pd -","- C56 H76 F24 N16 O8 P4 Pd4 -","4","2","","Jozak, Thomas; Sun, Yu; Thiel, Werner R.","Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles","New Journal of Chemistry","2011","35","10","2114","","10.1039/c1nj20148d","","","1.54184","CuKα","","0.0327","0.0317","","","0.0763","0.0768","","","","","","1.051","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052716","12.4072","0.0001","12.4072","0.0001","39.0374","0.0004","90","","90","","90","","6009.36","0.09","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C62 H88 N8 O4 Rh4 -","- C62 H88 N8 O4 Rh4 -","- C248 H352 N32 O16 Rh16 -","4","0.5","","Jozak, Thomas; Sun, Yu; Thiel, Werner R.","Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles","New Journal of Chemistry","2011","35","10","2114","","10.1039/c1nj20148d","","","1.54184","CuKα","","0.0204","0.0197","","","0.0414","0.0416","","","","","","1.059","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052717","23.588","0.004","9.1363","0.0009","13.1639","0.001","90","","90","","90","","2836.9","0.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H23 Mn O4 P S -","- C32 H23 Mn O4 P S -","- C128 H92 Mn4 O16 P4 S4 -","4","1","","Rose-Munch, Françoise; Cetiner, Derya; Chavarot-Kerlidou, Murielle; Rose, Eric","Phosphino-substituted (η5-cyclohexadienyl)tricarbonylmanganese complexes: synthesis and structure","New Journal of Chemistry","2011","35","10","2004","","10.1039/c1nj20152b","","","0.71073","MoKα","","0.0594","0.0416","","","0.0947","0.1015","","","","","","1.014","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052718","17.267","0.003","14.598","0.002","31.643","0.005","90","","90","","90","","7976","2","305","2","305","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C30 H37 Cl F6 N3 O2 P Ru S2 -","- C30 H37 Cl F6 N3 O2 P Ru S2 -","- C240 H296 Cl8 F48 N24 O16 P8 Ru8 S16 -","8","1","","Duan, Gongping; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Synthesis and photochromic studies of η6-mesitylene ruthenium(ii) complexes bearing N-heterocyclic carbene ligands with the dithienylethene moiety","New Journal of Chemistry","2011","35","10","2267","","10.1039/c1nj20161a","","","0.71073","MoKα","","0.1467","0.0994","","","0.2443","0.2715","","","","","","1.135","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052719","18.598","0.007","17.64","0.007","22.631","0.008","90","","102.867","0.005","90","","7238","5","305","2","305","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl F6 N3 O1.5 P Ru S2 -","- C31 H38 Cl F6 N3 O1.5 P Ru S2 -","- C248 H304 Cl8 F48 N24 O12 P8 Ru8 S16 -","8","1","","Duan, Gongping; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Synthesis and photochromic studies of η6-mesitylene ruthenium(ii) complexes bearing N-heterocyclic carbene ligands with the dithienylethene moiety","New Journal of Chemistry","2011","35","10","2267","","10.1039/c1nj20161a","","","0.71073","MoKα","","0.0607","0.0546","","","0.1661","0.1731","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052720","15.0558","0.0004","20.5033","0.0004","13.3843","0.0003","90","","111.011","0.001","90","","3856.94","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H126 P4 Si4 U2 -","- C72 H126 P4 Si4 U2 -","- C144 H252 P8 Si8 U4 -","2","0.5","","Frey, Alistair S. P.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Green, Jennifer C.","Activation of P4 by U(η5-C5Me5)(η8-C8H6(SiiPr3)2-1,4)(THF); the X-ray structure of [U(η5-C5Me5)(η8-C8H6(SiiPr3)2-1,4)]2(μ-η2:η2-P4)","New Journal of Chemistry","2011","35","10","2022","","10.1039/c1nj20163h","","x-ray","0.71073","MoKα","","0.057","0.0368","","","0.0602","0.0649","","","","","","1.069","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052721","20.159","0.003","9.974","0.0013","15.121","0.0019","90","","111.024","0.002","90","","2837.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Fe2 N2 -","- C34 H46 Fe2 N2 -","- C136 H184 Fe8 N8 -","4","1","","DeHope, Alan; Mendoza-Espinosa, Daniel; Donnadieu, Bruno; Bertrand, Guy","A persistent (amino)(ferrocenyl)carbene","New Journal of Chemistry","2011","35","10","2037","","10.1039/c1nj20170k","","","0.71073","MoKα","","0.1192","0.0495","","","0.0973","0.1187","","","","","","0.956","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052722","8.526","0.007","34.96","0.03","10.44","0.006","90","","126.26","0.04","90","","2509","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 Fe N S -","- C26 H41 Fe N S -","- C104 H164 Fe4 N4 S4 -","4","1","","DeHope, Alan; Mendoza-Espinosa, Daniel; Donnadieu, Bruno; Bertrand, Guy","A persistent (amino)(ferrocenyl)carbene","New Journal of Chemistry","2011","35","10","2037","","10.1039/c1nj20170k","","","0.71073","MoKα","","0.0381","0.0321","","","0.1099","0.117","","","","","","0.955","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052723","10.513","0.002","15.638","0.001","7.496","0.001","90","","104.45","0.005","90","","1193.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 Cl2 Co N2 S2 -","- C8 H8 Cl2 Co N2 S2 -","- C32 H32 Cl8 Co4 N8 S8 -","4","0.5","","Lytvynenko, Anton S.; Kolotilov, Sergey V.; Cador, Olivier; Golhen, Stéphane; Ouahab, Lahcène; Pavlishchuk, Vitaly V.","Antiferromagnetic ordering in cobalt(ii) and nickel(ii) 1D coordination polymers with the dithioamide of 1,3-benzenedicarboxylic acid","New Journal of Chemistry","2011","35","10","2179","","10.1039/c1nj20173e","","","0.71069","MoKα","","0.0765","0.0545","","","0.1352","0.1508","","","","","","1.111","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052724","10.61","0.0005","16.175","0.0006","7.508","0.0005","90","","104.83","0.01","90","","1245.58","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 Br2 Co N2 S2 -","- C8 H8 Br2 Co N2 S2 -","- C32 H32 Br8 Co4 N8 S8 -","4","0.5","","Lytvynenko, Anton S.; Kolotilov, Sergey V.; Cador, Olivier; Golhen, Stéphane; Ouahab, Lahcène; Pavlishchuk, Vitaly V.","Antiferromagnetic ordering in cobalt(ii) and nickel(ii) 1D coordination polymers with the dithioamide of 1,3-benzenedicarboxylic acid","New Journal of Chemistry","2011","35","10","2179","","10.1039/c1nj20173e","","","0.71069","MoKα","","0.0791","0.0488","","","0.1144","0.1305","","","","","","1.071","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052725","7.912","0.001","10.124","0.002","13.225","0.002","90","","103.737","0.001","90","","1029","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 N4 Ni S4 -","- C16 H16 Br2 N4 Ni S4 -","- C32 H32 Br4 N8 Ni2 S8 -","2","0.5","","Lytvynenko, Anton S.; Kolotilov, Sergey V.; Cador, Olivier; Golhen, Stéphane; Ouahab, Lahcène; Pavlishchuk, Vitaly V.","Antiferromagnetic ordering in cobalt(ii) and nickel(ii) 1D coordination polymers with the dithioamide of 1,3-benzenedicarboxylic acid","New Journal of Chemistry","2011","35","10","2179","","10.1039/c1nj20173e","","","0.71069","MoKα","","0.103","0.0538","","","0.1208","0.1432","","","","","","1.003","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052726","4.2779","0.0001","14.0489","0.0006","14.9941","0.0007","90","","95.425","0.003","90","","897.11","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N2 S2 -","- C8 H8 N2 S2 -","- C32 H32 N8 S8 -","4","1","","Lytvynenko, Anton S.; Kolotilov, Sergey V.; Cador, Olivier; Golhen, Stéphane; Ouahab, Lahcène; Pavlishchuk, Vitaly V.","Antiferromagnetic ordering in cobalt(ii) and nickel(ii) 1D coordination polymers with the dithioamide of 1,3-benzenedicarboxylic acid","New Journal of Chemistry","2011","35","10","2179","","10.1039/c1nj20173e","","","0.71069","MoKα","","0.1207","0.0602","","","0.1488","0.1849","","","","","","1.018","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052727","11.8868","0.001","9.2279","0.0009","12.5852","0.0007","90","","108.932","0.007","90","","1305.8","0.19","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Mn O3 -","- C13 H15 Mn O3 -","- C52 H60 Mn4 O12 -","4","1","","Rose, Eric; Dubarle-Offner, Julien; Rose-Munch, Françoise; Gérard, Hélène","A combined experimental‒theoretical study on the lithiation/electrophilic quench reaction of benzylic position of (η5-tetramethylcyclohexadienyl)-Mn(CO)3","New Journal of Chemistry","2011","35","10","2375","","10.1039/c1nj20178f","","","0.71073","MoKα","","0.0593","0.0333","","","0.0727","0.0801","","","","","","1.045","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052728","15.352","0.001","5.7588","0.0003","22.802","0.002","90","","97.678","0.003","90","","1997.8","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Fe2 Se2 -","- C22 H22 Fe2 Se2 -","- C88 H88 Fe8 Se8 -","4","1","","Ahmar, Siawash; Nitschke, Christian; Vijayaratnam, Niranjan; MacDonald, Daniel G.; Fenske, Dieter; Corrigan, John F.","A ferrocenylmethylselenolate complex of Ag(i): preparation of the polyferrocenyl cluster [Ag8(SeCH2Fc)8(PPh3)4] from the new silylated reagent FcCH2SeSiMe3","New Journal of Chemistry","2011","35","10","2013","","10.1039/c1nj20183b","","","0.71073","MoKα","","0.1215","0.0486","","","0.0807","0.0998","","","","","","0.94","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052729","17.346","0.004","42.44","0.009","12.596","0.003","90","","133.24","0.03","90","","6755","4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42 H62 Cl18 Fe2 N4 Se4 Zn2 -","- C42 H62 Cl18 Fe2 N4 Se4 Zn2 -","- C168 H248 Cl72 Fe8 N16 Se16 Zn8 -","4","1","","Ahmar, Siawash; Nitschke, Christian; Vijayaratnam, Niranjan; MacDonald, Daniel G.; Fenske, Dieter; Corrigan, John F.","A ferrocenylmethylselenolate complex of Ag(i): preparation of the polyferrocenyl cluster [Ag8(SeCH2Fc)8(PPh3)4] from the new silylated reagent FcCH2SeSiMe3","New Journal of Chemistry","2011","35","10","2013","","10.1039/c1nj20183b","","","0.71073","MoKα","","0.0495","0.0414","","","0.1058","0.1312","","","","","","1.148","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052730","29.884","0.0006","44.24","0.0007","22.015","0.0005","90","","130.463","0.001","90","","22144.1","0.8","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C169 H157 Ag8 Cl27 Fe8 P4 Se8 -","- C169 H148 Ag8 Cl27 Fe8 P4 Se8 -","- C676 H592 Ag32 Cl108 Fe32 P16 Se32 -","4","0.5","","Ahmar, Siawash; Nitschke, Christian; Vijayaratnam, Niranjan; MacDonald, Daniel G.; Fenske, Dieter; Corrigan, John F.","A ferrocenylmethylselenolate complex of Ag(i): preparation of the polyferrocenyl cluster [Ag8(SeCH2Fc)8(PPh3)4] from the new silylated reagent FcCH2SeSiMe3","New Journal of Chemistry","2011","35","10","2013","","10.1039/c1nj20183b","","","0.71073","MoKα","","0.1537","0.0791","","","0.2319","0.2922","","","","","","1.054","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052731","9.8776","0.0003","12.0035","0.0004","15.5669","0.0005","90","","92.127","0.002","90","","1844.43","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Fe2 Si -","- C21 H22 Fe2 Si -","- C84 H88 Fe8 Si4 -","4","1","","Losada, José; García-Armada, Pilar; Robles, Víctor; Martínez, Ángel M.; Casado, Carmen M.; Alonso, Beatriz","Carbosilane based dendritic cores functionalized with interacting ferrocenyl units: synthesis and electrocatalytical properties","New Journal of Chemistry","2011","35","10","2187","","10.1039/c1nj20190e","","","1.54178","CuKα","","0.0447","0.0328","","","0.0808","0.0878","","","","","","1.017","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052732","8.766","0.004","9.139","0.004","17.493","0.008","88.637","0.008","82.993","0.007","87.624","0.007","1389.5","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H33 B Mn N3 O6 -","- C27.5 H33 B Mn N3 O6 -","- C55 H66 B2 Mn2 N6 O12 -","2","1","","Wu, Kan; Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.; Geiger, William E.","Anodic electrochemistry of Mn and Re tricarbonyl complexes of tris(oxazolinyl)phenyl borate ligands: comparison to tris(pyrazolyl) borate complexes","New Journal of Chemistry","2011","35","10","2169","","10.1039/c1nj20222g","","","0.71073","MoKα","","0.1181","0.0878","","","0.2461","0.2832","","","","","","1.086","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052733","8.786","0.006","9.096","0.007","17.428","0.011","89.121","0.006","83.015","0.006","87.254","0.006","1380.8","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H33 B N3 O6 Re -","- C27.5 H33 B N3 O6 Re -","- C55 H66 B2 N6 O12 Re2 -","2","1","","Wu, Kan; Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.; Geiger, William E.","Anodic electrochemistry of Mn and Re tricarbonyl complexes of tris(oxazolinyl)phenyl borate ligands: comparison to tris(pyrazolyl) borate complexes","New Journal of Chemistry","2011","35","10","2169","","10.1039/c1nj20222g","","","0.71073","MoKα","","0.0742","0.0542","","","0.1322","0.1634","","","","","","1.122","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052734","10.1721","0.0006","10.7282","0.0006","17.82","0.0011","90","","102.958","0.001","90","","1895.15","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Sad179","","","- C39 H47 B Mn N3 O6 -","- C39 H47 B Mn N3 O6 -","- C78 H94 B2 Mn2 N6 O12 -","2","1","","Wu, Kan; Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.; Geiger, William E.","Anodic electrochemistry of Mn and Re tricarbonyl complexes of tris(oxazolinyl)phenyl borate ligands: comparison to tris(pyrazolyl) borate complexes","New Journal of Chemistry","2011","35","10","2169","","10.1039/c1nj20222g","","","0.71073","MoKα","","0.036","0.0305","","","0.0754","0.0828","","","","","","1.022","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052735","10.228","0.0017","10.8316","0.0018","18.363","0.003","90","","100.083","0.002","90","","2002.9","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Sad174","","","- C41 H51 B N3 O6 Re -","- C41 H51 B N3 O6 Re -","- C82 H102 B2 N6 O12 Re2 -","2","1","","Wu, Kan; Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.; Geiger, William E.","Anodic electrochemistry of Mn and Re tricarbonyl complexes of tris(oxazolinyl)phenyl borate ligands: comparison to tris(pyrazolyl) borate complexes","New Journal of Chemistry","2011","35","10","2169","","10.1039/c1nj20222g","","","0.71073","MoKα","","0.026","0.0219","","","0.0504","0.0662","","","","","","0.983","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052736","11.882","0.0003","10.2423","0.0002","27.51","0.0007","90","","94.493","0.002","90","","3337.65","0.14","180","2","180","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 B Cl F4 Fe N2 Ru S -","- C34 H40 B Cl F4 Fe N2 Ru S -","- C136 H160 B4 Cl4 F16 Fe4 N8 Ru4 S4 -","4","1","","Labande, Agnès; Daran, Jean-Claude; Long, Nicholas J.; White, Andrew J. P.; Poli, Rinaldo","Rhodium(iii) and ruthenium(ii) complexes of redox-active, chelating N-heterocyclic carbene/thioether ligands","New Journal of Chemistry","2011","35","10","2162","","10.1039/c1nj20224c","","","0.71073","MoKα","","0.0811","0.0512","","","0.0969","0.1072","","","","","","1.068","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052737","8.2431","0.0007","8.5307","0.0007","17.2481","0.0014","90","","91.802","0.002","90","","1212.28","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl Ir P -","- C27 H35 Cl Ir P -","- C54 H70 Cl2 Ir2 P2 -","2","1","","Campos, Jesús; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and reactivity of half-sandwich (η5-C5Me5)Ir(iii) complexes of a cyclometallated aryl phosphine ligand","New Journal of Chemistry","2011","35","10","2122","","10.1039/c1nj20244h","","","0.71073","MoKα","","0.0586","0.0435","","","0.0934","0.0988","","","","","","1.051","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052738","18.1597","0.0009","8.2917","0.0004","16.8404","0.0007","90","","95.143","0.001","90","","2525.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Ir N P S -","- C28 H35 Ir N P S -","- C112 H140 Ir4 N4 P4 S4 -","4","1","","Campos, Jesús; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and reactivity of half-sandwich (η5-C5Me5)Ir(iii) complexes of a cyclometallated aryl phosphine ligand","New Journal of Chemistry","2011","35","10","2122","","10.1039/c1nj20244h","","","0.71073","MoKα","","0.0397","0.0372","","","0.0988","0.1001","","","","","","1.093","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052739","17.9598","0.0005","8.2824","0.0002","17.0958","0.0005","90","","111.708","0.001","90","","2362.66","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Ir P -","- C27 H36 Ir P -","- C108 H144 Ir4 P4 -","4","1","","Campos, Jesús; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and reactivity of half-sandwich (η5-C5Me5)Ir(iii) complexes of a cyclometallated aryl phosphine ligand","New Journal of Chemistry","2011","35","10","2122","","10.1039/c1nj20244h","","","0.71073","MoKα","","0.0326","0.0231","","","0.0519","0.0547","","","","","","1.046","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052740","8.459","0.004","8.524","0.004","17.285","0.008","90","","93.025","0.018","90","","1244.6","1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 Ir P -","- C28 H38 Ir P -","- C56 H76 Ir2 P2 -","2","1","","Campos, Jesús; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and reactivity of half-sandwich (η5-C5Me5)Ir(iii) complexes of a cyclometallated aryl phosphine ligand","New Journal of Chemistry","2011","35","10","2122","","10.1039/c1nj20244h","","","0.71073","MoKα","","0.0585","0.0333","","","0.0498","0.0542","","","","","","0.87","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052741","9.393","0.0012","15.2074","0.0019","17.202","0.002","90","","98.626","0.002","90","","2429.4","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H43 Mg N5 Si2 -","- C17 H43 Mg N5 Si2 -","- C68 H172 Mg4 N20 Si8 -","4","1","","Buffet, Jean-Charles; Davin, Julien P.; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure, and ring-opening polymerization activity towards lactide monomers","New Journal of Chemistry","2011","35","10","2253","","10.1039/c1nj20259f","","","0.71073","MoKα","","0.0624","0.0423","","","0.0976","0.105","","","","","","0.955","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052742","15.8305","0.001","14.9065","0.0009","21.3107","0.0013","90","","90","","90","","5028.8","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H43 Ca N5 Si2 -","- C17 H43 Ca N5 Si2 -","- C136 H344 Ca8 N40 Si16 -","8","1","","Buffet, Jean-Charles; Davin, Julien P.; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure, and ring-opening polymerization activity towards lactide monomers","New Journal of Chemistry","2011","35","10","2253","","10.1039/c1nj20259f","","","0.71073","MoKα","","0.0591","0.0358","","","0.0722","0.0778","","","","","","0.86","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052743","19.245","0.002","10.3101","0.001","15.582","0.003","90","","106.38","0.02","90","","2966.3","0.8","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H52 Ca N6 Si4 -","- C19 H52 Ca N6 Si4 -","- C76 H208 Ca4 N24 Si16 -","4","1","","Buffet, Jean-Charles; Davin, Julien P.; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure, and ring-opening polymerization activity towards lactide monomers","New Journal of Chemistry","2011","35","10","2253","","10.1039/c1nj20259f","","","0.71073","MoKα","","0.0498","0.0392","","","0.0986","0.1085","","","","","","0.914","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052744","11.32","0.0003","14.2718","0.0004","16.4565","0.0004","105.105","0.001","107.197","0.001","95.493","0.001","2408.64","0.11","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C100 H116 Cl8 F12 Fe2 N2 P6 -","- C88 H88 Cl4 F12 Fe2 N2 P6 -","- C88 H88 Cl4 F12 Fe2 N2 P6 -","1","0.5","","Justaud, Frederic; Roisnel, Thierry; Lapinte, Claude","Novel 2,2′-bipyridine containing two (η2-dppe)(η5-C5Me5)Fe‒CC‒ redox-active units with an exceptionally spatially demanding substitution pattern","New Journal of Chemistry","2011","35","10","2219","","10.1039/c1nj20269c","","x-ray","0.71073","MoKα","","0.0846","0.0761","","","0.2255","0.2322","","","","","","1.063","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052745","20.827","0.002","8.7404","0.001","16.227","0.0018","90","","90","","90","","2953.9","0.5","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H38 B F6 Fe P -","- C32 H38 B F6 Fe P -","- C128 H152 B4 F24 Fe4 P4 -","4","1","","Cao, Duxia; Zhao, Haiyan; Gabbaï, François P.","A sandwich complex of trimesitylborane Mes3B: synthesis, characterization and anion binding properties of Mes2B[(η6-Mes)FeCp]+","New Journal of Chemistry","2011","35","10","2299","","10.1039/c1nj20290a","","","0.71073","MoKα","","0.0554","0.0448","","","0.1041","0.1107","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7052746","17.1967","0.001","17.6328","0.001","8.535","0.0005","90","","90","","90","","2588","0.3","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H38 B F Fe -","- C32 H38 B F Fe -","- C128 H152 B4 F4 Fe4 -","4","1","","Cao, Duxia; Zhao, Haiyan; Gabbaï, François P.","A sandwich complex of trimesitylborane Mes3B: synthesis, characterization and anion binding properties of Mes2B[(η6-Mes)FeCp]+","New Journal of Chemistry","2011","35","10","2299","","10.1039/c1nj20290a","","","0.71073","MoKα","","0.0508","0.0347","","","0.0581","0.0618","","","","","","0.863","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7052747","14.5594","0.0007","13.9523","0.0006","15.6438","0.0007","90","","96.531","0.001","90","","3157.2","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 B Cl3 Fe N -","- C34 H39 B Cl3 Fe N -","- C136 H156 B4 Cl12 Fe4 N4 -","4","1","","Cao, Duxia; Zhao, Haiyan; Gabbaï, François P.","A sandwich complex of trimesitylborane Mes3B: synthesis, characterization and anion binding properties of Mes2B[(η6-Mes)FeCp]+","New Journal of Chemistry","2011","35","10","2299","","10.1039/c1nj20290a","","","0.71073","MoKα","","0.0544","0.0397","","","0.0988","0.1077","","","","","","1.034","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7052748","11.07","0.005","11.504","0.004","14.202","0.006","90","","104.47","0.05","90","","1751.2","1.3","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Co P -","- C19 H26 Co P -","- C76 H104 Co4 P4 -","4","1","","Janssen (née Kirleis), Karin; Butenschön, Holger","New cyclopentadienylethylphosphane chelate complexes with unsymmetrical phosphane substitution","New Journal of Chemistry","2011","35","10","2287","","10.1039/c1nj20292h","","","0.71073","MoKα","","0.0653","0.0301","","","0.0495","0.0534","","","","","","0.803","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052749","15.428","0.003","16.376","0.005","15.847","0.003","90","","115.182","0.019","90","","3623.2","1.6","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 Cr P -","- C17 H22 Cl2 Cr P -","- C136 H176 Cl16 Cr8 P8 -","8","2","","Janssen (née Kirleis), Karin; Butenschön, Holger","New cyclopentadienylethylphosphane chelate complexes with unsymmetrical phosphane substitution","New Journal of Chemistry","2011","35","10","2287","","10.1039/c1nj20292h","","","0.71073","MoKα","","0.0863","0.0343","","","0.0516","0.0558","","","","","","0.841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052750","21.093","0.009","16.109","0.005","21.823","0.006","90","","90","","90","","7415","4","297","","297","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H25 I P Rh -","- C18 H25 I P Rh -","- C288 H400 I16 P16 Rh16 -","16","2","","Janssen (née Kirleis), Karin; Butenschön, Holger","New cyclopentadienylethylphosphane chelate complexes with unsymmetrical phosphane substitution","New Journal of Chemistry","2011","35","10","2287","","10.1039/c1nj20292h","","","0.71073","MoKα","","0.0609","0.0361","","","0.0835","0.0881","","","","","","0.95","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052751","12.144","0.0016","12.7445","0.0016","15.4458","0.0018","90.811","0.015","103.889","0.015","109.156","0.015","2180.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","BEDT-Trisphat","","","- C29 H10 Cl14 O6 P S8 -","- C29 H10 Cl14 O6 P S8 -","- C58 H20 Cl28 O12 P2 S16 -","2","1","","Riobé, François; Piron, Flavia; Réthoré, Céline; Madalan, Augustin M.; Gómez-García, Carlos J.; Lacour, Jérôme; Wallis, John D.; Avarvari, Narcis","Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion","New Journal of Chemistry","2011","35","10","2279","","10.1039/c1nj20310j","","","0.71073","MoKα","","0.1218","0.0481","","","0.086","0.103","","","","","","0.827","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052752","10.2344","0.0012","14.6453","0.0018","16.1178","0.0019","81.546","0.014","75.286","0.014","79.334","0.014","2283.5","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","BEDT-Trisphat","","","- C32 H14 Cl12 N2 O6 P S8 -","- C32 H14 Cl12 N2 O6 P S8 -","- C64 H28 Cl24 N4 O12 P2 S16 -","2","1","","Riobé, François; Piron, Flavia; Réthoré, Céline; Madalan, Augustin M.; Gómez-García, Carlos J.; Lacour, Jérôme; Wallis, John D.; Avarvari, Narcis","Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion","New Journal of Chemistry","2011","35","10","2279","","10.1039/c1nj20310j","","","0.71073","MoKα","","0.148","0.0496","","","0.0672","0.0799","","","","","","0.688","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052753","11.742","0.0008","12.2491","0.0008","16.3553","0.0012","96.874","0.008","101.997","0.008","104.32","0.007","2192.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[{(R/S)-EDT-TTF-oxazoline}Trisphat]","","","- C32 H14 Cl12 N2 O7 P S6 -","- C32 H14 Cl12 N2 O7 P S6 -","- C64 H28 Cl24 N4 O14 P2 S12 -","2","1","","Riobé, François; Piron, Flavia; Réthoré, Céline; Madalan, Augustin M.; Gómez-García, Carlos J.; Lacour, Jérôme; Wallis, John D.; Avarvari, Narcis","Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion","New Journal of Chemistry","2011","35","10","2279","","10.1039/c1nj20310j","","","0.7107","MoKα","","0.1562","0.059","","","0.1028","0.1278","","","","","","1.002","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052754","11.5872","0.0008","14.1039","0.0017","17.104","0.002","76.726","0.008","89.191","0.007","67.221","0.007","2499.6","0.5","293","2","293","2","","","","","","","","7","P 1","P 1","1","(S,S,S,S)-TMBEDT-TTF TRISPHAT","","","- C36 H22 Cl12 N2 O6 P S8 -","- C36 H22 Cl12 N2 O6 P S8 -","- C72 H44 Cl24 N4 O12 P2 S16 -","2","2","","Riobé, François; Piron, Flavia; Réthoré, Céline; Madalan, Augustin M.; Gómez-García, Carlos J.; Lacour, Jérôme; Wallis, John D.; Avarvari, Narcis","Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion","New Journal of Chemistry","2011","35","10","2279","","10.1039/c1nj20310j","","","0.71073","MoKα","","0.1296","0.0522","","","0.0827","0.1034","","","","","","1.014","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052755","11.59","0.0007","14.1051","0.0009","17.1138","0.0008","76.714","0.004","89.17","0.004","67.16","0.005","2500.6","0.3","293","2","293","2","","","","","","","","7","P 1","P 1","1","(R,R,R,R)-TMBEDT-TTF TRISPHAT","","","- C36 H22 Cl12 N2 O6 P S8 -","- C36 H22 Cl12 N2 O6 P S8 -","- C72 H44 Cl24 N4 O12 P2 S16 -","2","2","","Riobé, François; Piron, Flavia; Réthoré, Céline; Madalan, Augustin M.; Gómez-García, Carlos J.; Lacour, Jérôme; Wallis, John D.; Avarvari, Narcis","Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion","New Journal of Chemistry","2011","35","10","2279","","10.1039/c1nj20310j","","","0.71073","MoKα","","0.134","0.0557","","","0.0752","0.0934","","","","","","1.051","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052756","11.1361","0.0008","14.0517","0.0011","17.3518","0.0013","90","","100.951","0.001","90","","2665.8","0.3","105","","105","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl3 N3 O Rh -","- C25 H29 Cl3 N3 O Rh -","- C100 H116 Cl12 N12 O4 Rh4 -","4","1","","Rosenberg, Marianne Lenes; Langseth, Eirin; Krivokapic, Alexander; Gupta, Nalinava Sen; Tilset, Mats","Investigation of ligand steric effects on a highly cis-selective Rh(i) cyclopropanation catalyst","New Journal of Chemistry","2011","35","10","2306","","10.1039/c1nj20343f","","","0.71073","MoKα","","0.0359","0.0268","","0.0374","0.027","0.0262","","","","","","1.1229","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052757","19.641","0.0007","47.28","0.0014","9.725","0.003","90","","90","","90","","9031","3","293","2","293","2","101","1","101","1","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H25 Cl N3 O Rh -","- C23 H25 Cl N3 O Rh -","- C368 H400 Cl16 N48 O16 Rh16 -","16","1","","Rosenberg, Marianne Lenes; Langseth, Eirin; Krivokapic, Alexander; Gupta, Nalinava Sen; Tilset, Mats","Investigation of ligand steric effects on a highly cis-selective Rh(i) cyclopropanation catalyst","New Journal of Chemistry","2011","35","10","2306","","10.1039/c1nj20343f","","","0.71073","MoKα","","0.0253","0.0226","","","0.0515","0.053","","","","","","1.025","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052758","9.8035","0.0007","18.0936","0.0012","10.0847","0.0005","90","","97.542","0.003","90","","1773.35","0.19","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br0.26 Cl0.74 Pd S2 -","- C20 H17 Br0.265 Cl0.735 Pd S2 -","- C80 H68 Br1.06 Cl2.94 Pd4 S8 -","4","1","","Pijnenburg, Niels J. M.; Lutz, Martin; Siegler, Maxime A.; Spek, Anthony; van Koten, Gerard; Gebbink, Robertus J. M. Klein","The role of the dendritic support in the catalytic performance of peripheral pincer Pd-complexes","New Journal of Chemistry","2011","35","10","2356","","10.1039/c1nj20366e","","","0.71073","MoKα","","0.0452","0.0271","","","0.0511","0.0556","","","","","","1.07","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052759","8.6141","0.0002","12.4476","0.0002","22.262","0.0004","90","","90","","90","","2387.04","0.08","110","2","110","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C25 H20 Br0.66 Cl0.34 N O4 Pd S2 -","- C25 H20 Br0.663 Cl0.337 N O4 Pd S2 -","- C100 H80 Br2.652 Cl1.348 N4 O16 Pd4 S8 -","4","1","","Pijnenburg, Niels J. M.; Lutz, Martin; Siegler, Maxime A.; Spek, Anthony; van Koten, Gerard; Gebbink, Robertus J. M. Klein","The role of the dendritic support in the catalytic performance of peripheral pincer Pd-complexes","New Journal of Chemistry","2011","35","10","2356","","10.1039/c1nj20366e","","","0.71073","MoKα","","0.0374","0.0296","","","0.0558","0.0578","","","","","","1.133","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052760","15.8584","0.0002","9.8059","0.0002","16.273","0.0003","90","","113.38","0.0007","90","","2322.77","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl N O Pd S2 -","- C25 H26 Cl N O Pd S2 -","- C100 H104 Cl4 N4 O4 Pd4 S8 -","4","1","","Pijnenburg, Niels J. M.; Lutz, Martin; Siegler, Maxime A.; Spek, Anthony; van Koten, Gerard; Gebbink, Robertus J. M. Klein","The role of the dendritic support in the catalytic performance of peripheral pincer Pd-complexes","New Journal of Chemistry","2011","35","10","2356","","10.1039/c1nj20366e","","","0.71073","MoKα","","0.0493","0.035","","","0.0851","0.0932","","","","","","1.055","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052761","12.57","0.0004","8.7661","0.0003","13.9672","0.0005","90","","90","","90","","1539.04","0.09","90","0.1","90","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H16 F6 Fe N P -","- C14 H16 F6 Fe N P -","- C56 H64 F24 Fe4 N4 P4 -","4","0.5","","Abd-El-Aziz, Alaa S.; Winram, Diana J.; Shipman, Patrick O.; Dalgakiran, Sibel Sezgin; Shipley, Paul; Bichler, Lukas; Patrick, Brian","Micro and nano-sized polysiloxanes containing organoiron moieties","New Journal of Chemistry","2011","35","10","2341","","10.1039/c1nj20477g","","","0.71073","MoKα","","0.0775","0.0633","","","0.1733","0.1868","","","","","","1.053","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052762","9.4943","0.0009","10.791","0.006","13.2079","0.0017","89.92","0.03","88.507","0.009","86.83","0.02","1350.7","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 Fe3 N O11 S -","- C20 H25 Fe3 N O11 S -","- C40 H50 Fe6 N2 O22 S2 -","2","1","","Miu, Chia-Yeh; Chi, Hsin-Hung; Chen, Szu-Wei; Cherng, Jiann-Jang; Hsu, Miao-Hsing; Huang, Yu-Xin; Shieh, Minghuey","Reactions of the μ3-sulfido triiron cluster [SFe3(CO)9]2− with functionalized organic halides and mercury salts: selective reactivity, electrochemistry, and theoretical calculations","New Journal of Chemistry","2011","35","11","2442","","10.1039/c1nj20279k","","","0.71073","Mokα","","0.0488","0.0261","","","0.0679","0.0761","","","","","","1.019","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052763","18.9216","0.0002","12.3679","0.0002","23.5577","0.0004","90","","92.5182","0.0005","90","","5507.66","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Fe3 N O9 S -","- C20 H26 Cl Fe3 N O9 S -","- C160 H208 Cl8 Fe24 N8 O72 S8 -","8","2","","Miu, Chia-Yeh; Chi, Hsin-Hung; Chen, Szu-Wei; Cherng, Jiann-Jang; Hsu, Miao-Hsing; Huang, Yu-Xin; Shieh, Minghuey","Reactions of the μ3-sulfido triiron cluster [SFe3(CO)9]2− with functionalized organic halides and mercury salts: selective reactivity, electrochemistry, and theoretical calculations","New Journal of Chemistry","2011","35","11","2442","","10.1039/c1nj20279k","","","0.71073","MoKα","","0.0818","0.0412","","","0.0981","0.1197","","","","","","1.024","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052764","10.9444","0.0012","14.538","0.0016","18.351","0.002","90","","94.977","0.002","90","","2908.8","0.6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Fe3 I N O9 S -","- C21 H28 Fe3 I N O9 S -","- C84 H112 Fe12 I4 N4 O36 S4 -","4","1","","Miu, Chia-Yeh; Chi, Hsin-Hung; Chen, Szu-Wei; Cherng, Jiann-Jang; Hsu, Miao-Hsing; Huang, Yu-Xin; Shieh, Minghuey","Reactions of the μ3-sulfido triiron cluster [SFe3(CO)9]2− with functionalized organic halides and mercury salts: selective reactivity, electrochemistry, and theoretical calculations","New Journal of Chemistry","2011","35","11","2442","","10.1039/c1nj20279k","","","0.71073","MoKα","","0.0447","0.036","","","0.0801","0.0844","","","","","","1.035","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052765","13.0224","0.0002","8.5294","0.0001","22.1409","0.0003","90","","103.813","0.0009","90","","2388.14","0.06","298","2","298","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C34 H40 Fe6 Hg N2 O18 S2 -","- C34 H40 Fe6 Hg N2 O18 S2 -","- C68 H80 Fe12 Hg2 N4 O36 S4 -","2","0.5","","Miu, Chia-Yeh; Chi, Hsin-Hung; Chen, Szu-Wei; Cherng, Jiann-Jang; Hsu, Miao-Hsing; Huang, Yu-Xin; Shieh, Minghuey","Reactions of the μ3-sulfido triiron cluster [SFe3(CO)9]2− with functionalized organic halides and mercury salts: selective reactivity, electrochemistry, and theoretical calculations","New Journal of Chemistry","2011","35","11","2442","","10.1039/c1nj20279k","","","0.71073","MoKα","","0.0441","0.0348","","","0.0885","0.0978","","","","","","1.183","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052766","9.3653","0.0002","11.1757","0.0002","13.0749","0.0002","91.087","0.001","94.62","0.001","103.512","0.001","1325.26","0.04","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H40 Fe6 Hg2 I2 N2 O18 S2 -","- C34 H40 Fe6 Hg2 I2 N2 O18 S2 -","- C34 H40 Fe6 Hg2 I2 N2 O18 S2 -","1","0.5","","Miu, Chia-Yeh; Chi, Hsin-Hung; Chen, Szu-Wei; Cherng, Jiann-Jang; Hsu, Miao-Hsing; Huang, Yu-Xin; Shieh, Minghuey","Reactions of the μ3-sulfido triiron cluster [SFe3(CO)9]2− with functionalized organic halides and mercury salts: selective reactivity, electrochemistry, and theoretical calculations","New Journal of Chemistry","2011","35","11","2442","","10.1039/c1nj20279k","","","0.71073","MoKα","","0.0373","0.0331","","","0.0844","0.0867","","","","","","1.088","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052767","9.834","0.005","10.871","0.005","25.8","0.01","88.42","0.02","83.77","0.02","79.06","0.02","2692","2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H76 P2 -","- C64 H76 P2 -","- C128 H152 P4 -","2","1","","Lejeune, Manuel; Grosshans, Philippe; Berclaz, Théo; Sidorenkova, Helena; Besnard, Céline; Pattison, Phil; Geoffroy, Michel","Role of the aromatic bridge on radical ions formation during reduction of diphosphaalkenes","New Journal of Chemistry","2011","35","11","2510","","10.1039/c1nj20314b","","","0.7","","","0.0748","0.0659","","0.0941","0.0933","0.0941","","","","","","1.1263","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052768","10.185","0.01","17.94","0.005","29.06","0.02","90","","96.79","0.05","90","","5273","7","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 P2 -","- C60 H74 P2 -","- C240 H296 P8 -","4","1","","Lejeune, Manuel; Grosshans, Philippe; Berclaz, Théo; Sidorenkova, Helena; Besnard, Céline; Pattison, Phil; Geoffroy, Michel","Role of the aromatic bridge on radical ions formation during reduction of diphosphaalkenes","New Journal of Chemistry","2011","35","11","2510","","10.1039/c1nj20314b","","","0.71073","MoKα","","0.0757","0.0501","","0.0811","0.0696","0.0811","","","","","","0.983","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052769","10.844","0.001","15.52","0.001","17.594","0.002","90","","100.868","0.001","90","","2907.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H49 Cl2 Cu2 N6 O8.5 P2 -","- C60 H48 Cl2 Cu2 N6 O8.5 P2 -","- C120 H96 Cl4 Cu4 N12 O17 P4 -","2","0.5","","Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu","Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π‒π stacking interactions","New Journal of Chemistry","2011","35","11","2471","","10.1039/c1nj20355j","","","0.71073","MoKα","","0.0974","0.0693","","","0.2046","0.2513","","","","","","1.178","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052770","11.155","0.002","11.249","0.002","15.696","0.001","84.503","0.001","75.887","0.006","60.284","0.004","1658.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H70 Cl2 Cu2 N8 O10 P2 -","- C70 H70 Cl2 Cu2 N8 O10 P2 -","- C70 H70 Cl2 Cu2 N8 O10 P2 -","1","0.5","","Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu","Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π‒π stacking interactions","New Journal of Chemistry","2011","35","11","2471","","10.1039/c1nj20355j","","","0.71073","MoKα","","0.1825","0.0956","","","0.1825","0.2136","","","","","","1.073","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052771","13.523","0.002","18.277","0.003","18.648","0.003","90","","90","","90","","4609","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H47 Cl Cu N5 O5 P2 -","- C51 H47 Cl Cu N5 O5 P2 -","- C204 H188 Cl4 Cu4 N20 O20 P8 -","4","1","","Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu","Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π‒π stacking interactions","New Journal of Chemistry","2011","35","11","2471","","10.1039/c1nj20355j","","","0.71073","MoKα","","0.0866","0.0565","","","0.1362","0.154","","","","","","1.075","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052772","11.357","0.003","37.356","0.006","12.909","0.002","90","","112.442","0.003","90","","5061.9","1.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48.72 H51.8 Cl2 Cu2 N7 O8.68 P2 -","- C46 H45 Cl2 Cu2 N7 O8 P2 -","- C184 H180 Cl8 Cu8 N28 O32 P8 -","4","1","","Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu","Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π‒π stacking interactions","New Journal of Chemistry","2011","35","11","2471","","10.1039/c1nj20355j","","","0.71073","MoKα","","0.0781","0.0549","","","0.156","0.168","","","","","","1.079","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052773","10.913","0.001","17.535","0.001","22.068","0.001","86.442","0.001","84.066","0.001","77.951","0.001","4104.2","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C87 H91 Cl2 Cu2 N7 O12 P4 -","- C87 H91 Cl2 Cu2 N7 O12 P4 -","- C174 H182 Cl4 Cu4 N14 O24 P8 -","2","1","","Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu","Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π‒π stacking interactions","New Journal of Chemistry","2011","35","11","2471","","10.1039/c1nj20355j","","","0.71073","MoKα","","0.1547","0.087","","","0.2211","0.3121","","","","","","1.149","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052774","7.5524","0.0004","12.9084","0.0007","13.112","0.0007","102.326","0.002","94.333","0.002","98.378","0.002","1227.94","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cl4 N3 O3 -","- C25 H17 Cl4 N3 O3 -","- C50 H34 Cl8 N6 O6 -","2","1","","Shin, Ji-Young; Dolphin, David","Synthesis of a class of 5-((5-(pyrrol-2-yl-methylene)-pyrrol-2-yl)methylene)furan-2-ones and the formation of a furanone dipyrrin imino ether","New Journal of Chemistry","2011","35","11","2483","","10.1039/c1nj20415g","","","0.71073","MoKα","","0.0574","0.0409","","","0.1008","0.1179","","","","","","1.075","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052775","7.0689","0.0013","9.6348","0.0019","16.074","0.003","94.959","0.007","95.467","0.007","106.429","0.007","1037.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H8 Cl2 F5 N3 O3 -","- C22 H8 Cl2 F5 N3 O3 -","- C44 H16 Cl4 F10 N6 O6 -","2","1","","Shin, Ji-Young; Dolphin, David","Synthesis of a class of 5-((5-(pyrrol-2-yl-methylene)-pyrrol-2-yl)methylene)furan-2-ones and the formation of a furanone dipyrrin imino ether","New Journal of Chemistry","2011","35","11","2483","","10.1039/c1nj20415g","","","0.71073","MoKα","","0.0456","0.0347","","","0.0926","0.1019","","","","","","0.99","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052776","24.575","0.005","13.191","0.003","31.096","0.006","90","","91.925","0.004","90","","10075","4","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H44 F21 N0 O7 Yb -","- C42 H40.5 F21 O7 Yb -","- C336 H324 F168 O56 Yb8 -","8","2","","Lin, Yiji; Wan, Shigang; Zou, Fang; Wang, Yuekui; Zhang, Hui","Structure–chiroptical property relationship of kinetically labile camphor-derivative β-diketone Yb(iii) complexes: do the adducts coexist as diastereomers or not?","New Journal of Chemistry","2011","35","11","2584","","10.1039/c1nj20430k","","","0.71073","MoKα","","0.0636","0.0481","","","0.1055","0.111","","","","","","0.977","","","","has coordinates","282882","2023-04-27","15:29:02",""
"7052777","24.573","0.006","13.207","0.003","31.227","0.008","90","","92.072","0.005","90","","10128","4","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H44 F21 N0 O7 Yb -","- C42 H40.5 F21 O7 Yb -","- C336 H324 F168 O56 Yb8 -","8","2","","Lin, Yiji; Wan, Shigang; Zou, Fang; Wang, Yuekui; Zhang, Hui","Structure–chiroptical property relationship of kinetically labile camphor-derivative β-diketone Yb(iii) complexes: do the adducts coexist as diastereomers or not?","New Journal of Chemistry","2011","35","11","2584","","10.1039/c1nj20430k","","","0.71073","MoKα","","0.1183","0.0716","","","0.1472","0.1616","","","","","","0.904","","","","has coordinates","282882","2023-04-27","15:29:03",""
"7052778","14.862","0.002","14.862","0.002","34.432","0.008","90","","90","","120","","6586","2","298","2","298","2","","","","","","","","7","P 31","P 31","144","","","","- C84.33 H78.33 Cl F21 O8 P2 Yb -","- C78 H69 F21 O8 P2 Yb -","- C234 H207 F63 O24 P6 Yb3 -","3","1","","Lin, Yiji; Wan, Shigang; Zou, Fang; Wang, Yuekui; Zhang, Hui","Structure–chiroptical property relationship of kinetically labile camphor-derivative β-diketone Yb(iii) complexes: do the adducts coexist as diastereomers or not?","New Journal of Chemistry","2011","35","11","2584","","10.1039/c1nj20430k","","","0.71073","MoKα","","0.0776","0.0653","","","0.1761","0.186","","","","","","1.009","","","","has coordinates,has disorder","282882","2023-04-27","15:29:03",""
"7052779","14.8","0.003","14.8","0.003","34.447","0.011","90","","90","","120","","6534","3","298","2","298","2","","","","","","","","8","P 32","P 32","145","","","","- C84.33 H78.33 Cl F21 N0 O8 P2 Yb -","- C78 H69 F21 O8 P2 Yb -","- C234 H207 F63 O24 P6 Yb3 -","3","1","","Lin, Yiji; Wan, Shigang; Zou, Fang; Wang, Yuekui; Zhang, Hui","Structure–chiroptical property relationship of kinetically labile camphor-derivative β-diketone Yb(iii) complexes: do the adducts coexist as diastereomers or not?","New Journal of Chemistry","2011","35","11","2584","","10.1039/c1nj20430k","","","0.71073","MoKα","","0.0713","0.0622","","","0.1677","0.1759","","","","","","1.164","","","","has coordinates","282882","2023-04-27","15:29:03",""
"7052780","13.5264","0.0013","13.5264","","24.608","0.002","90","","90","","120","","3899.2","0.5","100","2","100","2","","","","","","","synthesis as described","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C162 H90 N18 O18 -","6","0.333333","","Argouarch, Gilles; Veillard, Romain; Roisnel, Thierry; Amar, Anissa; Boucekkine, Abdou; Singh, Anu; Ledoux, Isabelle; Paul, Frédéric","Donor-substituted triaryl-1,3,5-triazinanes-2,4,6-triones: octupolar NLO-phores with a remarkable transparency‒nonlinearity trade-off","New Journal of Chemistry","2011","35","11","2409","","10.1039/c1nj20442d","","x-ray","0.71073","MoKα","","0.072","0.0693","","","0.1716","0.1732","","","","","","1.162","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052781","8.4168","0.0005","9.9909","0.0008","10.6003","0.0009","107.361","0.007","104.961","0.006","107.851","0.006","747.45","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N P -","- C19 H14 N P -","- C38 H28 N2 P2 -","2","1","","Reis, Andreas; Dehe, Daniel; Farsadpour, Saeid; Munstein, Isabel; Sun, Yu; Thiel, Werner R.","Fluoride catalyzed P‒aryl-coupling—a mild approach to functionalized arylphosphines","New Journal of Chemistry","2011","35","11","2488","","10.1039/c1nj20448c","","","1.54184","CuKα","","0.0388","0.0321","","","0.0859","0.0881","","","","","","0.979","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052782","7.8941","0.0002","28.695","0.0007","7.0857","0.0002","90","","97.221","0.003","90","","1592.33","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 O2 P -","- C19 H15 O2 P -","- C76 H60 O8 P4 -","4","1","","Reis, Andreas; Dehe, Daniel; Farsadpour, Saeid; Munstein, Isabel; Sun, Yu; Thiel, Werner R.","Fluoride catalyzed P‒aryl-coupling—a mild approach to functionalized arylphosphines","New Journal of Chemistry","2011","35","11","2488","","10.1039/c1nj20448c","","","1.54184","CuKα","","0.049","0.0415","","","0.1164","0.1303","","","","","","1.123","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052783","13.6805","0.0003","14.5594","0.0003","17.2394","0.0004","77.117","0.001","71.508","0.001","71.698","0.001","3062.57","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H66 Cl2 N O3 P3 Ru -","- C74 H66 Cl2 N O3 P3 Ru -","- C148 H132 Cl4 N2 O6 P6 Ru2 -","2","1","","Widaman, Andria K.; Rath, Nigam P.; Bauer, Eike B.","New five-coordinate Ru(ii) phosphoramidite complexes and their catalytic activity in propargylic amination reactions","New Journal of Chemistry","2011","35","11","2427","","10.1039/c1nj20520j","","","0.71073","MoKα","","0.0619","0.0445","","","0.1148","0.1334","","","","","","1.123","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052784","11.115","0.005","12.085","0.005","13.476","0.005","67.905","0.005","86.187","0.005","73.358","0.005","1605.2","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Cl2 N2 S -","- C42 H26 Cl2 N2 S -","- C84 H52 Cl4 N4 S2 -","2","1","","Paul, Nidhin; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","A green protocol for the synthesis of conformationally rigid sulfur linked bisquinolines by double Friedlander reaction in water","New Journal of Chemistry","2011","35","11","2607","","10.1039/c1nj20539k","","","0.71073","MoKα","","0.0913","0.0657","","","0.1754","0.2521","","","","","","1.173","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052785","20.036","0.003","8.2313","0.0013","21.197","0.005","90","","115.113","0.008","90","","3165.4","1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Cl2 N2 S -","- C42 H26 Cl2 N2 S -","- C168 H104 Cl8 N8 S4 -","4","1","","Paul, Nidhin; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","A green protocol for the synthesis of conformationally rigid sulfur linked bisquinolines by double Friedlander reaction in water","New Journal of Chemistry","2011","35","11","2607","","10.1039/c1nj20539k","","","1.54178","CuKα","","0.0783","0.0496","","","0.1179","0.1304","","","","","","1.041","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052786","10.422","0.005","13.304","0.006","13.766","0.006","76.543","0.005","83.59","0.005","70.965","0.004","1753.5","1.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 Cl4 N2 S2 -","- C42 H24 Cl4 N2 S2 -","- C84 H48 Cl8 N4 S4 -","2","1","","Paul, Nidhin; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","A green protocol for the synthesis of conformationally rigid sulfur linked bisquinolines by double Friedlander reaction in water","New Journal of Chemistry","2011","35","11","2607","","10.1039/c1nj20539k","","","0.71073","MoKα","","0.0463","0.0401","","","0.0951","0.0986","","","","","","1.028","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052787","10.77497","0.00019","6.30036","0.00011","12.5202","0.0007","90","","92.0681","0.0009","90","","849.4","0.05","93.1","","93.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Huang, Yiyong; Suzuki, Satoru; Liu, Guokai; Tokunaga, Etsuko; Shiro, Motoo; Shibata, Norio","Asymmetric synthesis of chiral trifluoromethylated heliotridane via highly catalytic asymmetric Friedel‒Crafts alkylation with β-trifluoromethylated acrylates and pyrroles","New Journal of Chemistry","2011","35","11","2614","","10.1039/c1nj20550a","","","1.54187","CuKα","","","0.0243","","","","0.0617","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052788","26.5305","0.0005","12.1202","0.0003","22.0169","0.0004","90","","94.01","0.002","90","","7062.3","0.3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H76 Cl2 I N4 P2 Rh -","- C85 H76 Cl2 I N4 P2 Rh -","- C340 H304 Cl8 I4 N16 P8 Rh4 -","4","0.5","","Bond, Andrew D.; Sanders, Jeremy K. M.; Stulz, Eugen","Ruthenium(ii) and rhodium(iii) porphyrin phosphine complexes: influence of substitution pattern on structure and electronic properties","New Journal of Chemistry","2011","35","11","2691","","10.1039/c1nj20598f","","","0.71073","MoKα","","0.0509","0.0342","","","0.0825","0.0979","","","","","","1.137","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052789","12.0257","0.0003","15.2154","0.0003","16.3438","0.0005","102.144","0.001","98.439","0.001","111.559","0.001","2635.21","0.12","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C121 H134 I N4 P2 Rh -","- C121 H134 I N4 P2 Rh -","- C121 H134 I N4 P2 Rh -","1","0.5","","Bond, Andrew D.; Sanders, Jeremy K. M.; Stulz, Eugen","Ruthenium(ii) and rhodium(iii) porphyrin phosphine complexes: influence of substitution pattern on structure and electronic properties","New Journal of Chemistry","2011","35","11","2691","","10.1039/c1nj20598f","","","0.71073","MoKα","","0.0893","0.0713","","","0.1859","0.2173","","","","","","1.046","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052790","11.5833","0.0003","12.2478","0.0003","13.1535","0.0003","96.18","0.001","110.866","0.001","113.422","0.001","1530.94","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H74 N4 P2 Ru -","- C76 H74 N4 P2 Ru -","- C76 H74 N4 P2 Ru -","1","0.5","","Bond, Andrew D.; Sanders, Jeremy K. M.; Stulz, Eugen","Ruthenium(ii) and rhodium(iii) porphyrin phosphine complexes: influence of substitution pattern on structure and electronic properties","New Journal of Chemistry","2011","35","11","2691","","10.1039/c1nj20598f","","","0.71073","MoKα","","0.045","0.0366","","","0.0828","0.0868","","","","","","1.049","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052791","11.0429","0.0002","13.5072","0.0002","13.9191","0.0003","62.832","0.001","80.91","0.001","68.659","0.001","1720.36","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H75 Cl3 N4 P2 Ru -","- C85 H75 Cl3 N4 P2 Ru -","- C85 H75 Cl3 N4 P2 Ru -","1","0.5","","Bond, Andrew D.; Sanders, Jeremy K. M.; Stulz, Eugen","Ruthenium(ii) and rhodium(iii) porphyrin phosphine complexes: influence of substitution pattern on structure and electronic properties","New Journal of Chemistry","2011","35","11","2691","","10.1039/c1nj20598f","","","0.7107","MoKα","","0.0579","0.0431","","","0.0862","0.0929","","","","","","1.032","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052792","23.561","0.0002","13.175","0.0001","61.8138","0.0005","90","","99.249","0.001","90","","18938.5","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H58 N4 P2 Ru -","- C84 H58 N4 P2 Ru -","- C1008 H696 N48 P24 Ru12 -","12","1.5","","Bond, Andrew D.; Sanders, Jeremy K. M.; Stulz, Eugen","Ruthenium(ii) and rhodium(iii) porphyrin phosphine complexes: influence of substitution pattern on structure and electronic properties","New Journal of Chemistry","2011","35","11","2691","","10.1039/c1nj20598f","","","0.71073","MoKα","","0.0715","0.0455","","","0.1078","0.1205","","","","","","1.068","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052793","9.3459","0.0015","17.513","0.003","30.135","0.005","77.197","0.014","86.123","0.014","84.763","0.013","4783.9","1.4","210","2","210","2","","","","","","","","5","P -1","-P 1","2","Bis(hexadecyltrimethyammonium)tetrabromocuprate(ii)","Bis(hexadecyltrimethyammonium)tetrabromocuprate(II)","","- C38 H84 Br4 Cu N2 -","- C38 H84 Br4 Cu N2 -","- C152 H336 Br16 Cu4 N8 -","4","2","","Farra, Ramzi; Thiel, Kerstin; Winter, Alette; Klamroth, Tillmann; Pöppl, Andreas; Kelling, Alexandra; Schilde, Uwe; Taubert, Andreas; Strauch, Peter","Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii)","New Journal of Chemistry","2011","35","12","2793","","10.1039/c1nj20271e","","","0.71073","MoKα","","0.2","0.0719","","","0.1516","0.193","","","","","","0.819","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052794","10.8617","0.0017","19.554","0.002","21.072","0.003","90","","91.914","0.012","90","","4473","1.1","210","2","210","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetraphenylphosphonium)tetrabromocuprate(II)","","- C48 H40 Br4 Cu P2 -","- C48 H40 Br4 Cu P2 -","- C192 H160 Br16 Cu4 P8 -","4","0.5","","Farra, Ramzi; Thiel, Kerstin; Winter, Alette; Klamroth, Tillmann; Pöppl, Andreas; Kelling, Alexandra; Schilde, Uwe; Taubert, Andreas; Strauch, Peter","Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii)","New Journal of Chemistry","2011","35","12","2793","","10.1039/c1nj20271e","","","0.71073","MoKα","","0.0821","0.0457","","","0.0869","0.0961","","","","","","0.91","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052795","8.9966","0.0011","24.702","0.003","17.481","0.002","90","","101.553","0.01","90","","3806.2","0.8","210","2","210","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(methyltriphenylphosphonium)tetrabromocuprate(II)","","- C38 H36 Br4 Cu P2 -","- C38 H36 Br4 Cu P2 -","- C152 H144 Br16 Cu4 P8 -","4","1","","Farra, Ramzi; Thiel, Kerstin; Winter, Alette; Klamroth, Tillmann; Pöppl, Andreas; Kelling, Alexandra; Schilde, Uwe; Taubert, Andreas; Strauch, Peter","Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii)","New Journal of Chemistry","2011","35","12","2793","","10.1039/c1nj20271e","","","0.71073","MoKα","","0.0705","0.0527","","","0.1301","0.1408","","","","","","0.993","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052796","18.6843","0.0011","10.2238","0.0006","28.5236","0.0015","90","","91.612","0.005","90","","5446.6","0.5","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(benzyltriphenylphosphonium)tetrabromocuprate(II) chloroform solvate","","- C52 H46 Br4 Cl6 Cu P2 -","- C52 H46 Br4 Cl6 Cu P2 -","- C208 H184 Br16 Cl24 Cu4 P8 -","4","1","","Farra, Ramzi; Thiel, Kerstin; Winter, Alette; Klamroth, Tillmann; Pöppl, Andreas; Kelling, Alexandra; Schilde, Uwe; Taubert, Andreas; Strauch, Peter","Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii)","New Journal of Chemistry","2011","35","12","2793","","10.1039/c1nj20271e","","","0.71073","MoKα","","0.0543","0.0321","","","0.0662","0.0717","","","","","","0.91","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052797","9.4245","0.0002","9.9653","0.0002","13.9428","0.0003","84.353","0.001","88.257","0.001","89.524","0.001","1302.5","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N5 O2 -","- C31 H29 N5 O2 -","- C62 H58 N10 O4 -","2","1","","Goswami, Shyamaprosad; Das, Nirmal Kumar; Sen, Debabrata; Hazra, Giridhari; Goh, Jia Hao; Sing, Yeap Chin; Fun, Hoong-Kun","Recognition of acids involved in Krebs cycle by 9-anthrylmethyl-di(6-acetylamino-2-picolyl)amine: a case of selective fluorescence enhancement for maleic acid","New Journal of Chemistry","2011","35","12","2811","","10.1039/c1nj20339h","","","0.71073","MoKα","","0.0944","0.0551","","","0.1365","0.1579","","","","","","1.055","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052798","9.368","0.0002","9.576","0.0003","16.6792","0.0005","79.7","0.002","77.133","0.002","66.303","0.002","1328.99","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N5 O2 -","- C31 H29 N5 O2 -","- C62 H58 N10 O4 -","2","1","","Goswami, Shyamaprosad; Das, Nirmal Kumar; Sen, Debabrata; Hazra, Giridhari; Goh, Jia Hao; Sing, Yeap Chin; Fun, Hoong-Kun","Recognition of acids involved in Krebs cycle by 9-anthrylmethyl-di(6-acetylamino-2-picolyl)amine: a case of selective fluorescence enhancement for maleic acid","New Journal of Chemistry","2011","35","12","2811","","10.1039/c1nj20339h","","","0.71073","MoKα","","0.0867","0.0538","","","0.1276","0.1453","","","","","","1.054","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052799","13.9724","0.0004","32.9044","0.0009","8.6563","0.0002","90","","101.086","0.002","90","","3905.5","0.18","100","0.1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 N5 O13 -","- C41 H41 N5 O13 -","- C164 H164 N20 O52 -","4","1","","Goswami, Shyamaprosad; Das, Nirmal Kumar; Sen, Debabrata; Hazra, Giridhari; Goh, Jia Hao; Sing, Yeap Chin; Fun, Hoong-Kun","Recognition of acids involved in Krebs cycle by 9-anthrylmethyl-di(6-acetylamino-2-picolyl)amine: a case of selective fluorescence enhancement for maleic acid","New Journal of Chemistry","2011","35","12","2811","","10.1039/c1nj20339h","","","0.71073","MoKα","","0.1429","0.0872","","","0.2207","0.257","","","","","","1.047","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052800","16.404","0.005","8.524","0.005","24.609","0.005","90","0.005","105.465","0.005","90","0.005","3316","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","LMBNa","","","- C32 H28 B2 Na2 O14 -","- C32 H24 B2 Na2 O14 -","- C128 H96 B8 Na8 O56 -","4","1","","Sun, Zhihua; Chen, Tianliang; Cai, Ning-ning; Chen, Jing-wei; Li, Lina; Wang, Yan; Luo, Junhua; Hong, Maochun","Synthesis, growth and characterization of a third-order nonlinear optical crystal based on the borate ester with sodium supporting its structural framework","New Journal of Chemistry","2011","35","12","2804","","10.1039/c1nj20420c","","","0.71069","MoKα","","0.0875","0.0719","","","0.1977","0.2171","","","","","","1.066","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052801","16.2846","0.0019","8.488","0.001","24.322","0.003","90","","105.077","0.001","90","","3246.2","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","LMBNa","","","- C16 H14.5 B Na O7.25 -","- C16 H12 B Na O7.25 -","- C128 H96 B8 Na8 O58 -","8","2","","Sun, Zhihua; Chen, Tianliang; Cai, Ning-ning; Chen, Jing-wei; Li, Lina; Wang, Yan; Luo, Junhua; Hong, Maochun","Synthesis, growth and characterization of a third-order nonlinear optical crystal based on the borate ester with sodium supporting its structural framework","New Journal of Chemistry","2011","35","12","2804","","10.1039/c1nj20420c","","","0.71073","MoKα","","0.0495","0.0391","","","0.0907","0.097","","","","","","1.03","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7052802","10.9096","0.0006","11.1052","0.0005","20.2561","0.001","102.897","0.003","94.369","0.003","107.657","0.002","2252","0.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C56 H53 Fe P3 -","- C56 H53 Fe P3 -","- C112 H106 Fe2 P6 -","2","1","","Grelaud, Guillaume; Tohmé, Ayham; Argouarch, Gilles; Roisnel, Thierry; Paul, Frédéric","Stille-type aryl‒aryl cross-coupling catalysis using triarylphosphine ligands with electron-rich Fe(ii)-alkynyl substituents","New Journal of Chemistry","2011","35","12","2740","","10.1039/c1nj20480g","","x-ray","0.71073","MoKα","","0.1037","0.0634","","","0.1103","0.1268","","","","","","1.017","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052803","12.278","0.0004","21.9742","0.001","16.8487","0.0007","90","","103.994","0.002","90","","4410.9","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H53 Fe P3 -","- C56 H53 Fe P3 -","- C224 H212 Fe4 P12 -","4","1","","Grelaud, Guillaume; Tohmé, Ayham; Argouarch, Gilles; Roisnel, Thierry; Paul, Frédéric","Stille-type aryl‒aryl cross-coupling catalysis using triarylphosphine ligands with electron-rich Fe(ii)-alkynyl substituents","New Journal of Chemistry","2011","35","12","2740","","10.1039/c1nj20480g","","x-ray","0.71073","MoKα","","0.0721","0.0497","","","0.0943","0.1038","","","","","","1.031","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052804","24.921","0.004","25.341","0.004","41.507","0.007","90","","90","","90","","26213","7","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C52 H108 Lu N9 O6 S4 -","- C52 H108 Lu N9 O6 S4 -","- C832 H1728 Lu16 N144 O96 S64 -","16","0.5","","Lozano-Rodriguez, M. J.; Copping, R.; Petit, S.; Solari, P. L.; Guilbaud, P.; Mustre de Leon, J.; Den Auwer, C.","Crystal structure versus solution for two new lutetium thiocyanato complexes","New Journal of Chemistry","2011","35","12","2755","","10.1039/c1nj20494g","","","0.71073","MoKα","","0.0324","0.028","","","0.0723","0.0761","","","","","","1.056","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052805","24.969","0.003","6.4026","0.0007","20.031","0.002","90","","122.367","0.001","90","","2704.8","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 K4 Lu N7 O6 S7 -","- C7 H12 K4 Lu N7 O6 S7 -","- C28 H48 K16 Lu4 N28 O24 S28 -","4","0.5","","Lozano-Rodriguez, M. J.; Copping, R.; Petit, S.; Solari, P. L.; Guilbaud, P.; Mustre de Leon, J.; Den Auwer, C.","Crystal structure versus solution for two new lutetium thiocyanato complexes","New Journal of Chemistry","2011","35","12","2755","","10.1039/c1nj20494g","","","0.71073","MoKα","","0.0138","0.0137","","","0.0326","0.0327","","","","","","1.174","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052806","25.262","0.005","6.4877","0.0012","20.045","0.004","90","","122.25","0.001","90","","2778.4","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 K4 N7 Nd O6 S7 -","- C7 H12 K4 N7 Nd O6 S7 -","- C28 H48 K16 N28 Nd4 O24 S28 -","4","0.5","","Lozano-Rodriguez, M. J.; Copping, R.; Petit, S.; Solari, P. L.; Guilbaud, P.; Mustre de Leon, J.; Den Auwer, C.","Crystal structure versus solution for two new lutetium thiocyanato complexes","New Journal of Chemistry","2011","35","12","2755","","10.1039/c1nj20494g","","","0.71073","MoKα","","0.0194","0.0173","","","0.0408","0.0415","","","","","","1.091","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052807","7.5153","0.0003","12.426","0.0004","8.7794","0.0003","90","","90.94","0.002","90","","819.75","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-acetyl-4-oxopentanoic acid","3-acetyl-4-oxopentanoic acid","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Ferrari, Erika; Saladini, Monica; Pignedoli, Francesca; Spagnolo, Ferdinando; Benassi, Rois","Solvent effect on keto‒enol tautomerism in a new β-diketone: a comparison between experimental data and different theoretical approaches","New Journal of Chemistry","2011","35","12","2840","","10.1039/c1nj20576e","","","0.71073","MoKα","","0.0647","0.0453","","","0.1485","0.1718","","","","","","0.772","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052808","10.7684","0.0004","11.9449","0.0006","11.2266","0.0006","90","","96.833","0.002","90","","1433.79","0.12","203","","203","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Cu2 N2 O6 P2 S4 -","- C16 H38 Cu2 N2 O6 P2 S4 -","- C32 H76 Cu4 N4 O12 P4 S8 -","2","0.5","","Afzaal, Mohammad; Rosenberg, Chico L.; Malik, Mohammad A.; White, Andrew J. P.; O'Brien, Paul","Phosphine stabilized copper(i) complexes of dithiocarbamates and xanthates and their decomposition pathways","New Journal of Chemistry","2011","35","12","2773","","10.1039/c1nj20586b","","","1.54178","CuKα","","0.0393","0.0334","","","0.0814","0.084","","","","","","1.054","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052809","10.1476","0.0006","12.1434","0.0008","12.1663","0.0009","90","","111.287","0.004","90","","1396.92","0.17","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Cu2 N2 P2 S4 -","- C16 H38 Cu2 N2 P2 S4 -","- C32 H76 Cu4 N4 P4 S8 -","2","0.5","","Afzaal, Mohammad; Rosenberg, Chico L.; Malik, Mohammad A.; White, Andrew J. P.; O'Brien, Paul","Phosphine stabilized copper(i) complexes of dithiocarbamates and xanthates and their decomposition pathways","New Journal of Chemistry","2011","35","12","2773","","10.1039/c1nj20586b","","","1.54178","CuKα","","0.0658","0.0512","","","0.1329","0.1413","","","","","","1.055","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052810","11.0675","0.0012","11.4557","0.0013","12.6537","0.0017","90","","92.088","0.008","90","","1603.2","0.3","183","","183","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H50 Cu2 N2 P2 S4 -","- C22 H50 Cu2 N2 P2 S4 -","- C44 H100 Cu4 N4 P4 S8 -","2","0.5","","Afzaal, Mohammad; Rosenberg, Chico L.; Malik, Mohammad A.; White, Andrew J. P.; O'Brien, Paul","Phosphine stabilized copper(i) complexes of dithiocarbamates and xanthates and their decomposition pathways","New Journal of Chemistry","2011","35","12","2773","","10.1039/c1nj20586b","","","0.71073","MoKα","","0.0499","0.0353","","","0.0761","0.0804","","","","","","1.021","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052811","11.1882","0.0003","12.8593","0.0003","23.246","0.0006","90","","94.891","0.001","90","","3332.28","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 Ir N2 O2 P2 -","- C33 H49 Ir N2 O2 P2 -","- C132 H196 Ir4 N8 O8 P8 -","4","1","","Walter, Marc D.; White, Peter S.; Schauer, Cynthia K.; Brookhart, Maurice","The quest for stable σ-methane complexes: computational and experimental studies","New Journal of Chemistry","2011","35","12","2884","","10.1039/c1nj20602h","","","1.54178","CuKα","","0.0313","0.0257","","","0.0616","0.0641","","","","","","1.028","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052812","13.7687","0.0005","23.5697","0.0009","19.7027","0.0007","90","","98.591","0.002","90","","6322.3","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C55 H56 B Cl2 F24 N O2 P2 Pd -","- C55 H56 B Cl2 F24 N O2 P2 Pd -","- C220 H224 B4 Cl8 F96 N4 O8 P8 Pd4 -","4","1","","Walter, Marc D.; White, Peter S.; Schauer, Cynthia K.; Brookhart, Maurice","The quest for stable σ-methane complexes: computational and experimental studies","New Journal of Chemistry","2011","35","12","2884","","10.1039/c1nj20602h","","","1.54178","CuKα","","0.0502","0.0463","","","0.1241","0.1273","","","","","","1.034","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052813","11.1948","0.0004","12.7179","0.0005","14.3447","0.0009","100.145","0.002","102.482","0.002","110.403","0.001","1796.98","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H99 I2 N4 O4 P4 Rh2 -","- C71 H99 I2 N4 O4 P4 Rh2 -","- C71 H99 I2 N4 O4 P4 Rh2 -","1","0.5","","Walter, Marc D.; White, Peter S.; Schauer, Cynthia K.; Brookhart, Maurice","The quest for stable σ-methane complexes: computational and experimental studies","New Journal of Chemistry","2011","35","12","2884","","10.1039/c1nj20602h","","","1.54178","CuKα","","0.028","0.0274","","","0.0699","0.0704","","","","","","1.06","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052814","11.1771","0.0002","12.8681","0.0003","23.2854","0.0005","90","","94.739","0.001","90","","3337.64","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 N2 O2 P2 Rh -","- C33 H49 N2 O2 P2 Rh -","- C132 H196 N8 O8 P8 Rh4 -","4","1","","Walter, Marc D.; White, Peter S.; Schauer, Cynthia K.; Brookhart, Maurice","The quest for stable σ-methane complexes: computational and experimental studies","New Journal of Chemistry","2011","35","12","2884","","10.1039/c1nj20602h","","","1.54178","CuKα","","0.0244","0.0232","","","0.0604","0.0613","","","","","","1.065","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052816","11.3107","0.0003","12.3575","0.0004","13.5089","0.0004","82.643","0.001","73.201","0.001","74.766","0.001","1741.29","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cl2 N2 O7 -","- C40 H36 Cl2 N2 O7 -","- C80 H72 Cl4 N4 O14 -","2","1","","Roche, Cécile; Sauvage, Jean-Pierre; Sour, Angélique; Strutt, Nathan L.","A [3]rotaxane composed of a zinc porphyrin tetra-substituted with coordinating macrocycles and of two short rigid axles","New Journal of Chemistry","2011","35","12","2820","","10.1039/c1nj20734b","","","0.71073","MoKα","","0.0671","0.051","","","0.1219","0.1371","","","","","","1.024","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7054124","20.874","0.013","20.426","0.012","4.638","0.003","90","","90","","90","","1978","2","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","3-chloro-lawsone oxime","","","- C10 H7 Cl N O3.5 -","- C10 H7 Cl N O3.5 -","- C80 H56 Cl8 N8 O28 -","8","2","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.1048","0.0808","","","0.1479","0.158","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054125","21.092","0.006","20.588","0.006","4.6388","0.0013","90","","90","","90","","2014.4","1","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","3-bromo-lawsone oxime","","","- C10 H6 Br N O3.63 -","- C10 H6 Br N O3.625 -","- C80 H48 Br8 N8 O29 -","8","2","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.0543","0.0425","","","0.0962","0.1019","","","","","","1.04","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054126","15.892","0.003","4.5575","0.0009","18.335","0.004","90","","110.667","0.003","90","","1242.5","0.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-iodo-lawsone oxime","","","- C10 H10 I N O5 -","- C10 H10 I N O5 -","- C40 H40 I4 N4 O20 -","4","1","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.0283","0.0258","","","0.0645","0.066","","","","","","1.048","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7105738","12.595","0.003","19.333","0.004","19.909","0.004","90","","90","","90","","4847.8","1.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cl8 N12 Pd3 S6 Si2 -","- C28 H38 Cl8 N12 Pd3 S6 Si2 -","- C112 H152 Cl32 N48 Pd12 S24 Si8 -","4","1","","Felix Armbruster; Jens Meyer; Alexander Baldes; Pascual Ona Burgos; Ignacio Fernandez; Frank Breher","A triangulo palladium cluster consisting of m3-capping silyl ligands","Chem.Commun.","2011","47","","221","","10.1039/c002435j","","","0.71073","MoKα","","0.0496","0.0449","","","0.104","0.1085","","","","","","1.093","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105739","10.171","0.0004","7.217","0.0004","10.632","0.0006","90","","110.426","0.003","90","","731.36","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound 9","","","- C14 H14 Fe O7 -","- C14 H14 Fe O7 -","- C28 H28 Fe2 O14 -","2","1","","Monika Ali Khan; John Lowe; Andrew Johnson; Stewart Alan; Simon Lewis","Accessing the antipodal series in microbial arene oxidation: a novel diene rearrangement induced by tricarbonyliron(0) complexation","Chem.Commun.","2011","47","","215","","10.1039/c0cc01169j","","","0.71073","MoKα","","0.0404","0.0385","","","0.1056","0.1107","","","","","","1.054","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105740","12.0641","0.0011","18.8982","0.0017","22.467","0.0019","94.765","0.004","91.139","0.004","92.562","0.005","5098","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","di(tris(3,5-bis(methyl)benzoate)cyclotricatechylene)- tris(dimethylformamide)tricopper(ii) dimethylformamide clathrate","di{tris[3,5-bis(methyl)benzoate]cyclotricatechylene}- tris(dimethylformamide)tricopper(ii) dimethylformamide clathrate","","- C111 H101 Cu3 N5 O29 -","- C111 H101 Cu3 N5 O29 -","- C222 H202 Cu6 N10 O58 -","2","1","","Tanya Ronson; Harriott Nowell; Aleema Westcott; Michaele Hardie","Bow-tie metallo-cryptophanes from a carboxylate derived cavitand","Chem.Commun.","2011","47","","176","","10.1039/c0cc01284j","","","0.71073","MoKα","","0.0422","0.0335","","","0.0879","0.0938","","","","","","1.033","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7105741","16.129","0.003","17.52","0.003","19.048","0.003","88.52","0.01","83.42","0.01","88.02","0.01","5342.6","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","di(Tris(3,5-bis(methyl)benzoate)cyclotricatechylene)- tris(diethylformamide)tricopper(ii) diethylformamide clathrate","di{Tris[3,5-bis(methyl)benzoate]cyclotricatechylene}- tris(diethylformamide)tricopper(ii) diethylformamide clathrate","","- C116 H110 Cu3 N4 O28 -","- C116 H110 Cu3 N4 O28 -","- C232 H220 Cu6 N8 O56 -","2","1","","Tanya Ronson; Harriott Nowell; Aleema Westcott; Michaele Hardie","Bow-tie metallo-cryptophanes from a carboxylate derived cavitand","Chem.Commun.","2011","47","","176","","10.1039/c0cc01284j","","","0.71073","MoKα","","0.2123","0.1666","","","0.3584","0.4079","","","","","","1.143","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105742","17.14","0.004","18.03","0.004","20.805","0.005","86.235","0.012","80.028","0.012","64.703","0.006","5725","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","di(tris(3,5-bis(methyl)benzoate)cyclotricatechylene)- aquo(dimethylformamide)tricopper(ii)-1,2-bis(4-pyridyl)ethylene- di(tris(3,5-bis(methyl)benzoate)cyclotricatechylene)- aquo(dimethylformamide)tricopper(ii) dimethylformamide clathrate","di{tris[3,5-bis(methyl)benzoate]cyclotricatechylene}- aquo(dimethylformamide)tricopper(ii)-1,2-bis(4-pyridyl)ethylene- di{tris[3,5-bis(methyl)benzoate]cyclotricatechylene}- aquo(dimethylformamide)tricopper(ii) dimethylformamide clathrate","","- C111 H94 Cu3 N4 O28 -","- C111 H92 Cu3 N4 O28 -","- C222 H184 Cu6 N8 O56 -","2","1","","Tanya Ronson; Harriott Nowell; Aleema Westcott; Michaele Hardie","Bow-tie metallo-cryptophanes from a carboxylate derived cavitand","Chem.Commun.","2011","47","","176","","10.1039/c0cc01284j","","","0.6889","synchrotron","","0.1077","0.0808","","","0.2093","0.2289","","","","","","0.961","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105743","18.811","0.003","12.258","0.0015","29.62","0.004","90","","99.087","0.007","90","","6744.2","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","di(tris(3,5-bis(methyl)benzoate)cyclotricatechylene)- tetraacetobis(dimethylformamide)oxoheptacobalt(ii) dimethylformamide clathrate hydrate","di{tris[3,5-bis(methyl)benzoate]cyclotricatechylene}- tetraacetobis(dimethylformamide)oxoheptacobalt(ii) dimethylformamide clathrate hydrate","","- C113 H103 Co7 N3 O38 -","- C113 H99 Co7 N3 O39 -","- C226 H198 Co14 N6 O78 -","2","0.5","","Tanya Ronson; Harriott Nowell; Aleema Westcott; Michaele Hardie","Bow-tie metallo-cryptophanes from a carboxylate derived cavitand","Chem.Commun.","2011","47","","176","","10.1039/c0cc01284j","","","0.71073","MoKα","","0.1092","0.0805","","","0.2191","0.2401","","","","","","1.065","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105744","17.0448","0.0004","18.6938","0.0004","19.3062","0.0005","63.838","0.003","89.402","0.002","63.08","0.002","4783.5","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H71 N3 O Re Si3 U -","- C48 H71 N3 O Re Si3 U -","- C192 H284 N12 O4 Re4 Si12 U4 -","4","2","","Dipti Patel; David King; Benedict Gardner; Jonathan McMaster; William Lewis; Alexander Blake; Stephen Liddle","Structural and theoretical insights into the perturbation of uranium–rhenium bonds by dative Lewis base ancillary ligands","Chem.Commun.","2011","47","","295","","10.1039/c0cc01387k","","","1.5418","CuKα","","0.0906","0.068","","","0.156","0.168","","","","","","1.13","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105745","16.1847","0.0004","11.3466","0.0002","23.8954","0.0005","90","","94.371","0.002","90","","4375.42","0.16","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H64 N4 Si5 U -","- C37 H64 N4 Si5 U -","- C148 H256 N16 Si20 U4 -","4","1","","Dipti Patel; David King; Benedict Gardner; Jonathan McMaster; William Lewis; Alexander Blake; Stephen Liddle","Structural and theoretical insights into the perturbation of uranium–rhenium bonds by dative Lewis base ancillary ligands","Chem.Commun.","2011","47","","295","","10.1039/c0cc01387k","","","0.71073","MoKα","","0.0244","0.0205","","","0.0513","0.0532","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105746","15.9356","0.0004","15.1651","0.0005","33.4591","0.001","90","","91.052","0.003","90","","8084.5","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 N3 Re Si3 U -","- C41 H56 N3 Re Si3 U -","- C328 H448 N24 Re8 Si24 U8 -","8","1","","Dipti Patel; David King; Benedict Gardner; Jonathan McMaster; William Lewis; Alexander Blake; Stephen Liddle","Structural and theoretical insights into the perturbation of uranium–rhenium bonds by dative Lewis base ancillary ligands","Chem.Commun.","2011","47","","295","","10.1039/c0cc01387k","","","1.5418","CuKα","","0.0892","0.0764","","","0.1755","0.1824","","","","","","1.182","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105747","7.3748","0.0002","10.0622","0.0002","25.6743","0.0008","90","","90","","90","","1905.21","0.09","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Br N -","- C23 H26 Br N -","- C92 H104 Br4 N4 -","4","0.5","","Wenbo Chen; Souad Elfeky; Yse Nonne; Louise Male; Kabir Ahmed; Claire Amiable; Philip Axe; Shinji Yamada; Tony James; Steven Bull; John Fossey","A Pyridinium Cation-I Interaction Sensor for the Fluorescent Detection of Alkyl Halides","Chem.Commun.","2011","47","","253","","10.1039/c0cc01420f","","","0.71073","MoKα","","0.0986","0.095","","","0.2009","0.202","","","","","","1.439","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105748","10.5257","0.001","10.8919","0.0011","7.0298","0.0007","90","","108.36","0.002","90","","764.91","0.13","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 N5 -","- C7 H7 N5 -","- C28 H28 N20 -","4","0.5","","Luca Beverina; Alessandro Sanguineti; Glauco Battagliarin; Riccardo Ruffo; Dominique Roberto; Stefania Righetto; Raffaella Soave; Leonardo Lo Presti; Renato Ugo; Giorgio Pagani","UV Absorbing Zwitterionic Pyridinium-Tetrazolate. Exceptional Transparency/Optical Nonlinearity Tradeoff","Chem.Commun.","2011","47","","292","","10.1039/c0cc01652g","","","0.71073","MoKα","","0.0596","0.0364","","","0.0831","0.095","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105749","17.463","0.003","18.144","0.003","46.054","0.007","90","","90","","90","","14592","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C102 H188 Mn17 N19 Na O51 -","- C88 H163 Mn17 N13.5 Na O51 -","- C352 H652 Mn68 N54 Na4 O204 -","4","1","","Theocharis Stamatatos; Dolos Foguet-Albiol; Wolfgang Wernsdorfer; Khalil Abboud; George Christou","Structural aesthetics in molecular 3d-metal cluster chemistry: mixed-valence Mn17, Mn18 and {Mn62}n complexes from the use of triethanolamine","Chem.Commun.","2011","47","","274","","10.1039/c0cc01701a","","","0.71073","MoKα","","0.1429","0.0972","","","0.2053","0.2245","","","","","","1.124","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105750","15.3132","0.0002","18.3122","0.0011","21.422","0.002","68.092","0.002","79.91","0.02","74.134","0.002","5342.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H127 Cl4 Mn18 N42 O36 -","- C38 H80 Mn18 N42.2 O32 -","- C76 H160 Mn36 N84.4 O64 -","2","1","","Theocharis Stamatatos; Dolos Foguet-Albiol; Wolfgang Wernsdorfer; Khalil Abboud; George Christou","Structural aesthetics in molecular 3d-metal cluster chemistry: mixed-valence Mn17, Mn18 and {Mn62}n complexes from the use of triethanolamine","Chem.Commun.","2011","47","","274","","10.1039/c0cc01701a","","","0.71073","MoKα","","0.0753","0.0577","","","0.1433","0.1493","","","","","","1.045","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105751","35.759","0.004","14.8904","0.0016","32.943","0.004","90","","92.562","0.002","90","","17523","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H215 Mn31 N42 O84 -","- C74 H137 Mn31 N16 O84 -","- C296 H548 Mn124 N64 O336 -","4","1","","Theocharis Stamatatos; Dolos Foguet-Albiol; Wolfgang Wernsdorfer; Khalil Abboud; George Christou","Structural aesthetics in molecular 3d-metal cluster chemistry: mixed-valence Mn17, Mn18 and {Mn62}n complexes from the use of triethanolamine","Chem.Commun.","2011","47","","274","","10.1039/c0cc01701a","","","0.71073","MoKα","","0.148","0.0776","","","0.1874","0.2089","","","","","","0.897","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105752","11.978","0.002","11.514","0.002","12.103","0.002","90","","113.623","0.003","90","","1529.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Br N O2 -","- C17 H12 Br N O2 -","- C68 H48 Br4 N4 O8 -","4","1","","Ke-Jia Wu; Gong-Qiang Li; Yi Li; Li-Xin Dai; Shu-Li You","N-Heterocyclic Carbene-Catalyzed Tandem Aza-Benzoin/Michael Reactions: On Site Reversal of the Reactivity of N-Boc Imines","Chem.Commun.","2011","47","","493","","10.1039/c0cc01769h","","","0.71073","MoKα","","0.0901","0.048","","","0.1108","0.12","","","","","","0.853","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105753","20.1702","0.0009","20.6243","0.0008","40.444","0.002","90","","100.75","0.004","90","","16529.3","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32.88 H51.5 Cl2 N4 O14.88 -","- C65.75 H80 Cl4 N8 O29.75 -","- C526 H640 Cl32 N64 O238 -","8","4","","Ignacio Alfonso; Miriam Bru; Michael Bolte; Isabel Burguete; Santiago Luis","Anion templated dynamic correction towards the formation of structurally disfavored macrocycles","Chem.Commun.","2011","47","","283","","10.1039/c0cc01784a","","","0.71073","MoKα","","0.2144","0.1598","","","0.3882","0.4429","","","","","","1.377","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105754","22.946","0.004","24.128","0.004","19.003","0.003","90","","99.94","0.002","90","","10363","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H29 B Cl6 F8 N8 O -","- C52 H29 B Cl6 F8 N8 O -","- C416 H232 B8 Cl48 F64 N64 O8 -","8","1","","Soji Shimizu; Shota Nakano; Takahisa Hosoya; Nagao Kobayashi","Pyrene-Fused Subphthalocyanine","Chem.Commun.","2011","47","","316","","10.1039/c0cc01877e","","","0.71073","MoKα","","0.1729","0.099","","","0.2815","0.3166","","","","","","1.033","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105755","16.854","0.0018","14.8124","0.0016","24.597","0.003","90","","99.27","0.001","90","","6060.4","1.2","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C80 H27 B F8 N8 O -","- C80 H27 B F8 N8 O -","- C320 H108 B4 F32 N32 O4 -","4","1","","Soji Shimizu; Shota Nakano; Takahisa Hosoya; Nagao Kobayashi","Pyrene-Fused Subphthalocyanine","Chem.Commun.","2011","47","","316","","10.1039/c0cc01877e","","","0.71073","MoKα","","0.1029","0.0833","","","0.239","0.2548","","","","","","1.069","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105756","7.9939","0.0005","11.9064","0.0009","13.8485","0.0012","68.816","0.003","77.48","0.004","72.174","0.003","1161.61","0.15","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C25 H27 N3 O5 -","- C25 H27 N3 O5 -","- C50 H54 N6 O10 -","2","1","","Michael Waibel; Nicolai Cramer","Crystal and molecular structure of ca030610","Chem.Commun.","2011","47","","346","","10.1039/c0cc01950j","","","0.71073","","","0.0818","0.0564","","","0.1508","0.1708","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105757","9.5207","0.0005","4.6948","0.0003","16.3045","0.0009","90","","90.201","0.001","90","","728.77","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N6 O2 -","- C16 H18 N6 O2 -","- C32 H36 N12 O4 -","2","0.5","","Kinkini Roy; Chun Wang; Mark Smith; Mahender Dewal; Arief Wibowo; Julius Brown; Shuguo Ma; Linda Shimizu","Guest induced transformations of assembled pyridyl bis-urea macrocycles","Chem.Commun.","2011","47","","277","","10.1039/c0cc01952f","","","0.71073","MoKα","","0.0452","0.0352","","","0.0832","0.0875","","","","","","1.014","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105758","4.6955","0.0012","9.632","0.003","12.775","0.003","93.97","0.005","100.219","0.005","95.594","0.005","563.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 F6 N6 O4 -","- C20 H24 F6 N6 O4 -","- C20 H24 F6 N6 O4 -","1","0.5","","Kinkini Roy; Chun Wang; Mark Smith; Mahender Dewal; Arief Wibowo; Julius Brown; Shuguo Ma; Linda Shimizu","Guest induced transformations of assembled pyridyl bis-urea macrocycles","Chem.Commun.","2011","47","","277","","10.1039/c0cc01952f","","","0.71073","MoKα","","0.1004","0.0684","","","0.1698","0.1908","","","","","","1.045","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105759","9.3195","0.001","9.3688","0.001","26.301","0.003","82.514","0.004","88.091","0.004","69.752","0.005","2136","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H18 Cl2 O3 -","- C26 H18 Cl2 O3 -","- C104 H72 Cl8 O12 -","4","4","","Carlo Cassani; Xu Tian; Eduardo Escudero-Adan; Paolo Melchiorre","Multiple approaches to enantiopure spirocyclic benzofuranones using organocatalytic cascade reactions","Chem.Commun.","2011","47","","233","","10.1039/c0cc01957g","","","0.71073","MoKα","","0.0976","0.0845","","","0.2361","0.2513","","","","","","1.052","","","","has coordinates","288243","2023-12-12","09:57:14",""
"7105760","9.349","0.0009","6.864","0.0006","15.7148","0.0015","90","","100.578","0.004","90","","991.31","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 Cl O3 -","- C25 H19 Cl O3 -","- C50 H38 Cl2 O6 -","2","1","","Carlo Cassani; Xu Tian; Eduardo Escudero-Adan; Paolo Melchiorre","Multiple approaches to enantiopure spirocyclic benzofuranones using organocatalytic cascade reactions","Chem.Commun.","2011","47","","233","","10.1039/c0cc01957g","","","0.71073","MoKα","","0.0958","0.0552","","","0.1372","0.1601","","","","","","0.921","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7105761","9.3547","0.0011","9.3547","0.0011","51.084","0.006","90","","90","","90","","4470.4","0.9","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","","","- C27 H21 Cl O3 -","- C27 H21 Cl O3 -","- C216 H168 Cl8 O24 -","8","2","","Carlo Cassani; Xu Tian; Eduardo Escudero-Adan; Paolo Melchiorre","Multiple approaches to enantiopure spirocyclic benzofuranones using organocatalytic cascade reactions","Chem.Commun.","2011","47","","233","","10.1039/c0cc01957g","","","0.71073","MoKα","","0.1222","0.1074","","","0.2585","0.2669","","","","","","1.112","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7105762","15.2978","0.0013","15.5927","0.0013","22.148","0.002","88.841","0.004","86.538","0.004","62.085","0.002","4659.6","0.7","103.1","","103.1","","","","","","","","","7","P -1","-P 1","2","","","","- C95.8 H81.8 Cl2.8 N8 O16 Ru4 S2 -","- C95.8 H76 Cl2.8 N8 O16 Ru4 S2 -","- C191.6 H152 Cl5.6 N16 O32 Ru8 S4 -","2","1","","Hitoshi Miyasaka; Takaumi Morita; Masahiro Yamashita","A three-dimensional network of two-electron-transferred [Ru2]2TCNQ exhibiting anomalous conductance due to charge fluctuations","Chem.Commun.","2011","47","","271","","10.1039/c0cc02031a","","","0.71075","MoKα","","","0.0388","","","","0.0977","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105763","9.622","0.002","16.515","0.003","13.913","0.003","90","","95.09","0.02","90","","2202.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Gandelman-39","","","- C20 H28 B N3 O P2 -","- C20 H28 B N3 O P2 -","- C80 H112 B4 N12 O4 P8 -","4","1","","Elana Slutsky Smith; Gregory Molev; Mark Botoshansky; Mark Gandelman","Bidentate Ligand Synthesis via N-C Rearrangement in Triazoles","Chem.Commun.","2011","47","","319","","10.1039/c0cc02033h","","","0.71073","MoKα","","0.1601","0.0639","","","0.1317","0.1532","","","","","","0.847","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105764","19.943","0.004","12.845","0.003","19.491","0.004","90","","91.52","0.02","90","","4991.2","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Gandelman-72 (ES-247)","","","- C24 H32 N3 O P2 Pt0.5 -","- C24 H32 N3 O P2 Pt0.5 -","- C192 H256 N24 O8 P16 Pt4 -","8","1","","Elana Slutsky Smith; Gregory Molev; Mark Botoshansky; Mark Gandelman","Bidentate Ligand Synthesis via N-C Rearrangement in Triazoles","Chem.Commun.","2011","47","","319","","10.1039/c0cc02033h","","","0.71073","MoKα","","0.0703","0.0369","","","0.078","0.0834","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105765","39.718","0.001","7.781","0.001","16.861","0.001","90","0.01","111.897","0.01","90","0.01","4834.9","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Gandelman-73","","","- C21 H27 Cl2 N3 P2 Pt -","- C21 H27 Cl2 N3 P2 Pt -","- C168 H216 Cl16 N24 P16 Pt8 -","8","1","","Elana Slutsky Smith; Gregory Molev; Mark Botoshansky; Mark Gandelman","Bidentate Ligand Synthesis via N-C Rearrangement in Triazoles","Chem.Commun.","2011","47","","319","","10.1039/c0cc02033h","","","0.71073","MoKα","","0.1109","0.0732","","","0.1812","0.2004","","","","","","0.887","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105766","16.8522","0.0004","12.7158","0.0004","19.3676","0.0007","90","","90","","90","","4150.3","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H33 Mg Na Si3 -","- C12 H33 Mg Na Si3 -","- C96 H264 Mg8 Na8 Si24 -","8","1","","Sharon Baillie; William Clegg; Pablo Garcia-Alvarez; Eva Hevia; Alan R. Kennedy; Jan Klett; Luca Russo","Synthesis and Characterization of an Infinite Sheet of Metal-Alkyl Bonds: Unfolding the Elusive Structure of an Unsolvated Alkali-Metal Trisalkylmagnesiate","Chem.Commun.","2011","47","","388","","10.1039/c0cc02164d","","","0.71073","MoKα","","0.0919","0.0361","","","0.0642","0.0707","","","","","","0.78","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105767","21.481","0.002","12.4281","0.0007","12.7071","0.0012","90","","123.555","0.014","90","","2827.1","0.6","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H11 Na Si -","- C4 H11 Na Si -","- C64 H176 Na16 Si16 -","16","2","","Sharon Baillie; William Clegg; Pablo Garcia-Alvarez; Eva Hevia; Alan R. Kennedy; Jan Klett; Luca Russo","Synthesis and Characterization of an Infinite Sheet of Metal-Alkyl Bonds: Unfolding the Elusive Structure of an Unsolvated Alkali-Metal Trisalkylmagnesiate","Chem.Commun.","2011","47","","388","","10.1039/c0cc02164d","","","0.71073","MoKα","","0.054","0.0332","","","0.0704","0.0728","","","","","","0.928","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105768","7.3361","0.0007","9.8727","0.0009","15.9826","0.0015","77.056","0.002","81.204","0.001","74.336","0.002","1080.98","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 O2 Si -","- C25 H28 O2 Si -","- C50 H56 O4 Si2 -","2","1","","Adam Glass; Sam Klonoski; Lev Zakharov; Shih-Yuan Liu","Pushing the limits of steric demand around a biaryl axis: Synthesis of tetra-ortho-substituted biaryl naphthalenes","Chem.Commun.","2011","47","","286","","10.1039/c0cc02170a","","","0.71073","MoKα","","0.0402","0.0369","","","0.1016","0.1052","","","","","","1.055","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105769","16.297","0.004","9.649","0.002","29.806","0.007","90","","95.118","0.004","90","","4668.3","1.9","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 -","- C28 H36 -","- C224 H288 -","8","2","","Adam Glass; Sam Klonoski; Lev Zakharov; Shih-Yuan Liu","Pushing the limits of steric demand around a biaryl axis: Synthesis of tetra-ortho-substituted biaryl naphthalenes","Chem.Commun.","2011","47","","286","","10.1039/c0cc02170a","","","0.71073","MoKα","","0.1209","0.0687","","","0.1617","0.2024","","","","","","1.004","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105770","7.895","0.005","9.843","0.006","14.78","0.009","86.269","0.01","88.77","0.011","83.748","0.012","1139.2","1.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N2 O6 Si -","- C22 H26 N2 O6 Si -","- C44 H52 N4 O12 Si2 -","2","1","","Shi Tang; Masahide Takeda; Yoshiaki Nakao; Tamejiro Hiyama","Nickel-catalysed Cross-coupling Reaction of Aryl(triorgano)silanes with Aryl Chlorides and Tosylates","Chem.Commun.","2011","47","","307","","10.1039/c0cc02173c","","","0.71073","MoK(Jα","","0.0578","0.048","","","0.1249","0.1311","","","","","","1.054","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105771","10.483","0.0008","14.9544","0.0012","15.7398","0.0013","89.095","0.002","86.983","0.002","71.805","0.002","2340.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H45 F3 O3 -","- C51 H45 F3 O3 -","- C102 H90 F6 O6 -","2","1","","Ho Yong Lee; Andras Olasz; Maren Pink; Hyunsoo Park; Dongwhan Lee","The art of stacking: structural folding and self-assembly of branched p-conjugation assisted by O-H***O and C-H***F hydrogen bonds","Chem.Commun.","2011","47","","481","","10.1039/c0cc02177f","","x-ray","0.71073","MoKα","","0.1035","0.0691","","","0.2059","0.2237","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105772","17.1496","0.0012","17.1496","","33.798","0.002","90","","90","","120","","8608.5","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C53.27 H47.27 Cl6.82 F3 O3 -","- C53.274 H47.274 Cl6.822 F3 O3 -","- C319.644 H283.644 Cl40.932 F18 O18 -","6","0.333333","","Ho Yong Lee; Andras Olasz; Maren Pink; Hyunsoo Park; Dongwhan Lee","The art of stacking: structural folding and self-assembly of branched p-conjugation assisted by O-H***O and C-H***F hydrogen bonds","Chem.Commun.","2011","47","","481","","10.1039/c0cc02177f","","","0.71073","MoKα","","0.1089","0.0905","","","0.2683","0.296","","","","","","1.059","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105773","6.3316","0.0006","15.3693","0.0013","17.6088","0.0016","90","","99.548","0.004","90","","1689.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F6 N3 P -","- C16 H16 F6 N3 P -","- C64 H64 F24 N12 P4 -","4","1","","Kelly Kilpin; Ursula Paul; Ai-Lan Lee; James Crowley","Gold(I) âClickâ 1,2,3-triazolylidenes: Synthesis, Self-Assembly and Catalysis.","Chem.Commun.","2011","47","","328","","10.1039/c0cc02185g","","","0.71073","MOKα","","0.0675","0.0514","","","0.1269","0.139","","","","","","1.052","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105774","7.6316","0.001","7.8947","0.0009","25.267","0.004","90","","90","","90","","1522.3","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Au Cl N3 -","- C16 H15 Au Cl N3 -","- C64 H60 Au4 Cl4 N12 -","4","1","","Kelly Kilpin; Ursula Paul; Ai-Lan Lee; James Crowley","Gold(I) âClickâ 1,2,3-triazolylidenes: Synthesis, Self-Assembly and Catalysis.","Chem.Commun.","2011","47","","328","","10.1039/c0cc02185g","","","0.71073","MoKα","","0.0196","0.0175","","","0.0378","0.0385","","","","","","1.046","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105775","10.8541","0.0015","10.8554","0.0014","11.2188","0.0014","101.367","0.007","92.615","0.007","102.371","0.008","1260.5","0.3","91","2","91","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Au F6 N5 Sb -","- C23 H25 Au F6 N5 Sb -","- C46 H50 Au2 F12 N10 Sb2 -","2","1","","Kelly Kilpin; Ursula Paul; Ai-Lan Lee; James Crowley","Gold(I) âClickâ 1,2,3-triazolylidenes: Synthesis, Self-Assembly and Catalysis.","Chem.Commun.","2011","47","","328","","10.1039/c0cc02185g","","","0.71073","MoKα","","0.0429","0.0378","","","0.0896","0.0927","","","","","","1.063","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105776","14.9399","0.0015","19.6839","0.0017","6.9061","0.0007","90","","90","","90","","2030.9","0.3","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 Au N3 -","- C24 H20 Au N3 -","- C96 H80 Au4 N12 -","4","1","","Kelly Kilpin; Ursula Paul; Ai-Lan Lee; James Crowley","Gold(I) âClickâ 1,2,3-triazolylidenes: Synthesis, Self-Assembly and Catalysis.","Chem.Commun.","2011","47","","328","","10.1039/c0cc02185g","","","0.71073","MoKα","","0.0397","0.0265","","","0.0443","0.0473","","","","","","0.97","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105777","11.548","0.005","15.399","0.005","22.187","0.005","71.587","0.005","85.665","0.005","68.815","0.005","3487","2","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C90 H69 B Cl2 Cu F4 Fe N5 -","- C90 H69 B Cl2 Cu F4 Fe N5 -","- C180 H138 B2 Cl4 Cu2 F8 Fe2 N10 -","2","1","","Shoko Kume; Hiroshi Nishihara","Tuning-up and Driving a Redox-active Rotor","Chem.Commun.","2011","47","","415","","10.1039/c0cc02193h","","","0.71073","MoKα","","","0.0696","","","","0.197","","","","","","1.063","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105778","10.747","0.005","11.762","0.005","12.896","0.005","75.128","0.005","70.329","0.005","86.267","0.005","1483.2","1.1","113","","113","","","","","","","","","7","P 1","P 1","1","","","","- C77 H57 B Cu F4 Fe N5 -","- C77 H57 B Cu F4 Fe N5 -","- C77 H57 B Cu F4 Fe N5 -","1","1","","Shoko Kume; Hiroshi Nishihara","Tuning-up and Driving a Redox-active Rotor","Chem.Commun.","2011","47","","415","","10.1039/c0cc02193h","","","0.71073","MoKα","","","0.052","","","","0.1426","","","","","","1.037","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105779","11.964","0.005","22.314","0.005","24.781","0.005","90","0.005","117.169","0.012","90","0.005","5886","3","113","","113","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H49 B Cl4 Cu F4 Fe N5 -","- C71 H47 B Cl4 Cu F4 Fe N5 -","- C284 H188 B4 Cl16 Cu4 F16 Fe4 N20 -","4","1","","Shoko Kume; Hiroshi Nishihara","Tuning-up and Driving a Redox-active Rotor","Chem.Commun.","2011","47","","415","","10.1039/c0cc02193h","","","0.71073","MoKα","","","0.0562","","","","0.1515","","","","","","1.028","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105780","3.89836","0.000063","7.87939","0.00011","13.51483","0.00035","90","","95.9652","0.0016","90","","412.883","0.014","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","0.5","","Manza Atkinson; Ivan Halasz; Dejan-Kresimir Bucar; Robert Dinnebier; Santhana Mariappan; Anatoliy Sokolov; Leonard MacGillivray","A solid-state trimerisation of a diene diacid affords a bicyclobutyl: reactant structure from X-ray powder data and product separation and structure determination via co-crystallisation","Chem.Commun.","2011","47","","236","","10.1039/c0cc02204g","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.014","","1.72","","","","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105781","8.1654","0.0009","11.7147","0.0013","13.1518","0.0014","86.292","0.005","77.546","0.005","78.982","0.005","1205.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H60 N6 O14 -","- C50 H60 N6 O14 -","- C50 H60 N6 O14 -","1","0.5","","Manza Atkinson; Ivan Halasz; Dejan-Kresimir Bucar; Robert Dinnebier; Santhana Mariappan; Anatoliy Sokolov; Leonard MacGillivray","A solid-state trimerisation of a diene diacid affords a bicyclobutyl: reactant structure from X-ray powder data and product separation and structure determination via co-crystallisation","Chem.Commun.","2011","47","","236","","10.1039/c0cc02204g","","","0.71073","MoKα","","0.0579","0.046","","","0.1215","0.1273","","","","","","1.026","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105782","17.302","0.004","15.233","0.003","21.662","0.004","90","","113.54","0.03","90","","5234","2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79.75 H121.5 F6 N26 O21 S6 -","- C79.75 H119 F6 N26 O21 S6 -","- C159.5 H238 F12 N52 O42 S12 -","2","1","","Philip Young; Jack Clegg; Mohan Bhadbhade; Katrina Jolliffe","Hybrid Cyclic Peptide-Thiourea Cages for Anion Recognition","Chem.Commun.","2011","47","","463","","10.1039/c0cc02223c","","","0.65256","Synchrotron","","0.177","0.0978","","","0.2399","0.3028","","","","","","0.773","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7105783","13.864","0.0012","14.575","0.001","16.843","0.0012","69.705","0.005","77.952","0.003","75.179","0.003","3058.8","0.4","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C92 H162 N25 O31.5 S6 -","- C92 H155 N25 O31.5 S6 -","- C92 H155 N25 O31.5 S6 -","1","1","","Philip Young; Jack Clegg; Mohan Bhadbhade; Katrina Jolliffe","Hybrid Cyclic Peptide-Thiourea Cages for Anion Recognition","Chem.Commun.","2011","47","","463","","10.1039/c0cc02223c","","","0.71073","MoKα","","0.0738","0.0492","","","0.1147","0.1272","","","","","","1.049","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7105784","9.9941","0.0003","11.595","0.0003","13.1114","0.0003","84.798","0.001","71.666","0.001","77.102","0.002","1405.51","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 B N6 P Rh -","- C31 H33 B N6 P Rh -","- C62 H66 B2 N12 P2 Rh2 -","2","1","","Nikolaos Tsoureas; Yu-Ying Kuo; Mairi Haddow; Gareth Owen","Double addition of H2 to transition metal–borane complexes: a ‘hydride shuttle’ process between boron and transition metal centres","Chem.Commun.","2011","47","","484","","10.1039/c0cc02245d","","","0.71073","MoKα","","0.0321","0.026","","","0.0586","0.061","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7105785","19.3135","0.0017","20.0036","0.0017","14.4432","0.0013","90","","90","","90","","5580","0.8","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H33 B N6 P Rh -","- C31 H33 B N6 P Rh -","- C248 H264 B8 N48 P8 Rh8 -","8","1","","Nikolaos Tsoureas; Yu-Ying Kuo; Mairi Haddow; Gareth Owen","Double addition of H2 to transition metal–borane complexes: a ‘hydride shuttle’ process between boron and transition metal centres","Chem.Commun.","2011","47","","484","","10.1039/c0cc02245d","","","1.54178","CuKα","","0.0394","0.029","","","0.0696","0.0734","","","","","","1.052","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105786","11.378","0.0003","11.9021","0.0003","20.7067","0.0006","74.07","0.002","78.342","0.002","80.084","0.002","2620.47","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H56 B2 N14 O2 Rh2 -","- C57 H56 B2 N14 O2 Rh2 -","- C114 H112 B4 N28 O4 Rh4 -","2","1","","Nikolaos Tsoureas; Yu-Ying Kuo; Mairi Haddow; Gareth Owen","Double addition of H2 to transition metal–borane complexes: a ‘hydride shuttle’ process between boron and transition metal centres","Chem.Commun.","2011","47","","484","","10.1039/c0cc02245d","","","0.71073","MoKα","","0.0972","0.0504","","","0.1015","0.1164","","","","","","1.049","","","","has coordinates,has disorder","204136","2020-10-21","18:00:00",""
"7105787","11.5334","0.0005","15.3688","0.0006","15.8442","0.0006","93.813","0.002","100.089","0.002","111.872","0.002","2539.18","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H48 B2 N14 Rh2 -","- C61 H48 B2 N14 Rh2 -","- C122 H96 B4 N28 Rh4 -","2","1","","Nikolaos Tsoureas; Yu-Ying Kuo; Mairi Haddow; Gareth Owen","Double addition of H2 to transition metal–borane complexes: a ‘hydride shuttle’ process between boron and transition metal centres","Chem.Commun.","2011","47","","484","","10.1039/c0cc02245d","","","0.71073","MoKα","","0.071","0.0401","","","0.0814","0.0932","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7105788","11.6549","0.0008","12.9893","0.0009","22.6123","0.0015","90","","90.483","0.003","90","","3423.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H51 B N6 P Rh -","- C35.5 H51 B N6 P Rh -","- C142 H204 B4 N24 P4 Rh4 -","4","1","","Nikolaos Tsoureas; Yu-Ying Kuo; Mairi Haddow; Gareth Owen","Double addition of H2 to transition metal–borane complexes: a ‘hydride shuttle’ process between boron and transition metal centres","Chem.Commun.","2011","47","","484","","10.1039/c0cc02245d","","","0.71073","MoKα","","0.0402","0.0298","","","0.0743","0.0807","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105789","25.682","0.004","25.682","0.004","114.9","0.02","90","","90","","120","","65631","18","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","Zn4O(BenzTB)1.5","Zn4O(BenzTB)1.5","","- C60 H36 N3 O13 Zn4 -","- C60 H36 N3 O13 Zn4 -","- C720 H432 N36 O156 Zn48 -","12","0.333333","","Ronny Grunker; Irena Senkovska; Ralf Biedermann; Nicole Klein; Martin Lohe; Philipp Muller; Stefan Kaskel","A highly porous Metal-Organic Framework with flexible corundum topology","Chem.Commun.","2011","47","","490","","10.1039/c0cc02273j","","","0.88561","Synchrotron","","0.1006","0.0542","","","0.1494","0.1644","","","","","","1.007","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105790","16.7961","0.0004","18.1575","0.0004","11.6335","0.0002","90","","90","","90","","3547.93","0.13","296","2","296","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C62 H51 Cr2 Mn3 N22 O8 -","- C62 H51 Cr2 Mn3 N22 O8 -","- C124 H102 Cr4 Mn6 N44 O16 -","2","0.25","","Arpan Hazra; Prakash Kanoo; Tapas Kumar Maji","High heat of hydrogen adsorption and guest-responsive magnetic modulation in a 3D porous pillared-layer coordination framework","Chem.Commun.","2011","47","","538","","10.1039/c0cc02490b","","","0.71073","MoKα","","0.1018","0.0947","","","0.2252","0.2279","","","","","","1.353","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105791","17.8362","0.0009","15.744","0.0008","24.2053","0.0011","90","","103.907","0.003","90","","6597.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BrMn(CO)2(CNArMes2)3","","","- C79 H80 Br Mn N3 O2.5 -","- C79 H80 Br Mn N3 O2.5 -","- C316 H320 Br4 Mn4 N12 O10 -","4","1","","Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa","Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides","Chem.Commun.","2011","47","","406","","10.1039/c0cc02742a","","","1.54178","CuKα","","0.077","0.0418","","","0.0902","0.1061","","","","","","1.026","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105792","12.881","0.005","15.819","0.005","24.7","0.005","96.168","0.005","96.275","0.005","98.166","0.005","4913","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[K(DME)(18-c-6)][Mn(CO)2(CNArMes2)3]","","","- C105 H139 K Mn N3 O16 -","- C105 H139 K Mn N3 O16 -","- C210 H278 K2 Mn2 N6 O32 -","2","1","","Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa","Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides","Chem.Commun.","2011","47","","406","","10.1039/c0cc02742a","","","0.71073","MoKα","","0.0595","0.0436","","","0.0976","0.1066","","","","","","1.05","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105793","23.9872","0.0018","23.8244","0.0018","21.3103","0.0016","90","","108.977","0.001","90","","11516.5","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BrMn(CO)3(CNArDipp2)2","","","- C65 H74 Br Mn N2 O3 -","- C65 H74 Br Mn N2 O3 -","- C520 H592 Br8 Mn8 N16 O24 -","8","1","","Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa","Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides","Chem.Commun.","2011","47","","406","","10.1039/c0cc02742a","","","0.71073","MoKα","","0.0934","0.0471","","","0.1077","0.1292","","","","","","1.032","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105794","16.0055","0.0011","24.312","0.0017","11.5994","0.0008","90","","128.714","0.0007","90","","3521.9","0.4","100","2","100","2","","","","","","","","6","C 1 m 1","C -2y","8","[Na(NCMe)2][Mn(CO)3(CNDipp2)2]","","","- C76 H88 Mn N4 Na O3 -","- C76 H88 Mn N4 Na O3 -","- C152 H176 Mn2 N8 Na2 O6 -","2","0.5","","Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa","Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides","Chem.Commun.","2011","47","","406","","10.1039/c0cc02742a","","","0.71073","MoKα","","0.0651","0.0492","","","0.1216","0.1317","","","","","","1.031","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105795","23.733","0.006","23.631","0.006","21.36","0.005","90","","108.669","0.004","90","","11349","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HMn(CO)3(CNArDipp2)","","","- C65 H75 Mn N2 O3 -","- C65 H74 Mn N2 O3 -","- C520 H592 Mn8 N16 O24 -","8","1","","Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa","Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides","Chem.Commun.","2011","47","","406","","10.1039/c0cc02742a","","","0.71073","MoKα","","0.1438","0.0953","","","0.2181","0.247","","","","","","1.022","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105796","16.737","0.006","18.896","0.008","20.57","0.008","114.849","0.005","90.031","0.005","90.131","0.005","5903","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","H3CMn(CO)3(CNArDipp2)2","","","- C132 H154 Mn2 N4 O6 -","- C132 H154 Mn2 N4 O6 -","- C264 H308 Mn4 N8 O12 -","2","1","","Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa","Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides","Chem.Commun.","2011","47","","406","","10.1039/c0cc02742a","","","0.71073","MoKα","","0.0737","0.0488","","","0.12","0.1297","","","","","","1.038","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105797","10.625","0.003","23.786","0.007","25.576","0.008","78.096","0.004","78.251","0.004","84.842","0.004","6184","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(Cl2(CH3)Si)Mn(CO)3(CNArDipp2)2","","","- C66 H77 Cl2 Mn N2 O3 Si -","- C66 H77 Cl2 Mn N2 O3 Si -","- C264 H308 Cl8 Mn4 N8 O12 Si4 -","4","2","","Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa","Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides","Chem.Commun.","2011","47","","406","","10.1039/c0cc02742a","","","0.71073","MoKα","","0.1622","0.0818","","","0.1627","0.1942","","","","","","1.013","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105798","19.479","0.005","16.599","0.005","20.104","0.005","90","0.005","113.546","0.005","90","0.005","5959","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ClSnMn(CO)3(CNArDipp2)2","","","- C67 H79 Cl Mn N2 O3.5 Sn -","- C67 H79 Cl Mn N2 O3.5 Sn -","- C268 H316 Cl4 Mn4 N8 O14 Sn4 -","4","1","","Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa","Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides","Chem.Commun.","2011","47","","406","","10.1039/c0cc02742a","","","0.71073","MoKα","","0.0603","0.0487","","","0.1363","0.1467","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105799","12.107","0.005","12.154","0.005","15.078","0.005","83.821","0.005","68.816","0.005","68.176","0.005","1919.6","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H74 Ag8 N20 O26 V8 -","- C50 H74 Ag8 N20 O26 V8 -","- C50 H74 Ag8 N20 O26 V8 -","1","0.5","","Yan Hu; Fang Luo; Fangfang Dong","Design Synthesis and Photocatalytic Activity of a Novel Lilac-like Silver-Vanadate Hybrid Solid Based on Dicyclic Rings of [V4O12]4- with Argentophilic {Ag7}7+ Cluster","Chem.Commun.","2011","47","","761","","10.1039/c0cc02965c","","","0.71069","MoKα","","0.0598","0.0523","","","0.1279","0.132","","","","","","1.096","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105800","10.4386","0.0003","24.546","0.0007","12.1232","0.0003","90","","115.012","0.001","90","","2814.97","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 Fe2 N4 O17 -","- C16 H42 Fe2 N4 O17 -","- C64 H168 Fe8 N16 O68 -","4","1","","Julia Strautmann; Stephan Walleck; Hartmut Bogge; Anja Stammler; Thorsten Glaser","A Taylor-made Ligand to Mimic the Active Site of Diiron Enyzmes: An Air-oxidized High-Valent FeIII h.s.(ï-O)2 FeIV h.s Species","Chem.Commun.","2011","47","","695","","10.1039/c0cc03098h","","","0.71073","MoKα","","0.0225","0.0196","","","0.0529","0.0547","","","","","","1.065","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7105801","14.145","0.004","15.116","0.004","19.598","0.005","90","","94.854","0.005","90","","4175.3","1.9","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 Fe2 N4 O14 S5 -","- C26 H51.14 Fe2 N4 O14 S5 -","- C104 H204.56 Fe8 N16 O56 S20 -","4","1","","Julia Strautmann; Stephan Walleck; Hartmut Bogge; Anja Stammler; Thorsten Glaser","A Taylor-made Ligand to Mimic the Active Site of Diiron Enyzmes: An Air-oxidized High-Valent FeIII h.s.(ï-O)2 FeIV h.s Species","Chem.Commun.","2011","47","","695","","10.1039/c0cc03098h","","","0.71073","MoKα","","0.0978","0.0609","","","0.1429","0.1648","","","","","","1.059","","","","has coordinates,has disorder","288183","2023-12-08","14:43:00",""
"7105802","12.1625","0.0005","17.6971","0.0007","7.3078","0.0003","90","","96.479","0.002","90","","1562.89","0.11","100","","100","","","","","","","","dichloromethane/diethylether","6","C 1 c 1","C -2yc","9","","2-chloro-3-(dimethylamino-methylidenyl)-ind-1-en-1-yl-methylidenyl- dimethylammoniumium tetrafluoroborate","","- C15 H18 B Cl F4 N2 -","- C15 H18 B Cl F4 N2 -","- C60 H72 B4 Cl4 F16 N8 -","4","1","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","0.71073","MoKα","","0.0364","0.0344","","","0.0907","0.0926","","","","","","1.165","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105803","15.6561","0.0002","15.0722","0.0001","20.3553","0.0002","90","","94.51","0.001","90","","4788.41","0.08","100","","100","","","","","","","","dichloromethane/diethylether","8","P 1 21/c 1","-P 2ybc","14","","1,3-di-(dimethylamino-methylidenyl)-indan-2-ylidenyl-chloro- bis-(triphenylphosphine)-palladium(ii) tetrafluoroborate dichloromethane solute","","- C52 H50 B Cl3 F4 N2 P2 Pd -","- C52 H50 B Cl3 F4 N2 P2 Pd -","- C208 H200 B4 Cl12 F16 N8 P8 Pd4 -","4","1","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","0.71073","MoKα","","0.0577","0.0452","","","0.1077","0.1127","","","","","","1.197","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105804","6.8239","0.0004","10.3513","0.0005","18.4709","0.0009","90","","98.289","0.002","90","","1291.09","0.12","200","","200","","","","","","","","acetonitrile, diethylether","6","P 1 21/c 1","-P 2ybc","14","","3-phenyl-3-chloro-prop-2-enyliden-1-yl-dimethylammonium tetrafluoroborate","","- C11 H13 B Cl F4 N -","- C11 H13 B Cl F4 N -","- C44 H52 B4 Cl4 F16 N4 -","4","1","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","1.54178","Cu-Kα","","0.0515","0.0447","","","0.1211","0.127","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7105805","10.2205","0.0008","12.2695","0.0009","9.9747","0.0007","90","","97.135","0.004","90","","1241.15","0.16","100","","100","","","","","","","","acetonitrile/diethylether","6","C 1 2/c 1","-C 2yc","15","","5-dimethylamino-3-chloro-penta-2,4-dienylidenyl-dimethylammonium tetrafluoroborate","","- C9 H16 B Cl F4 N2 -","- C9 H16 B Cl F4.02 N2 -","- C36 H64 B4 Cl4 F16.08 N8 -","4","0.5","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","1.54178","CuKα","","0.0464","0.045","","","0.1127","0.1137","","","","","","1.085","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105806","18.3031","0.0003","13.9665","0.0002","13.7001","0.0002","90","","103.708","0.001","90","","3402.4","0.09","100","2","100","2","","","","","","","dichloromethane/diethylether","5","C 1 2/c 1","-C 2yc","15","","N-methyl-3-(dimethylamino-methylidenyl)-pyrrolidin-2-ylidenyl- -η^4^-cyclooctadienyl-iodo-rhodium","","- C16 H26 I N2 Rh -","- C16 H26 I N2 Rh -","- C128 H208 I8 N16 Rh8 -","8","1","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","0.71073","MoKα","","0.0392","0.0341","","","0.106","0.1102","","","","","","1.227","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105807","32.7088","0.0004","16.8288","0.0002","23.476","0.0003","90","","125.39","0.001","90","","10534.7","0.3","160","","160","","","","","","","","dichloromethane/diethylether","8","C 1 2/c 1","-C 2yc","15","","N-methyl-3-(dimethylamino-methylidenyl)-4,5-dihydropyrrolyliden-2-yl- bis-(triphenylphosphine)-chloro-palladium(ii) tetrafluoroborate tris-dichloromethane solute","","- C93 H98 B2 Cl12 F8 N4 P4 Pd2 -","- C93 H98 B2 Cl12 F8 N4 P4 Pd2 -","- C372 H392 B8 Cl48 F32 N16 P16 Pd8 -","4","0.5","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","0.71073","MoKα","","0.0834","0.0699","","","0.2073","0.2197","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105808","15.591","0.0001","15.9173","0.0001","17.8073","0.0002","90","","99.45","0.001","90","","4359.21","0.06","100","","100","","","","","","","","dichloromethane/diethylether","8","P 1 21/c 1","-P 2ybc","14","","N-methyl-3-(dimethylamino-methylidenyl)-4,5-dihydropyrrolyliden-2-yl- bis-(triphenylphosphine)-chloro-platinum(ii) tetrafluoroborate dichloromethane solute","","- C45 H46 B Cl3 F4 N2 P2 Pt -","- C45 H46 B Cl3 F4 N2 P2 Pt -","- C180 H184 B4 Cl12 F16 N8 P8 Pt4 -","4","1","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","0.71073","MoKα","","0.0367","0.0308","","","0.0766","0.0809","","","","","","1.047","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105809","7.653","0.0007","12.1577","0.0011","16.2528","0.0014","106.62","0.002","91.767","0.002","102.89","0.002","1405.2","0.2","100","","100","","","","","","","","acetonitrile/diethylether","6","P -1","-P 1","2","","1-chloro-2-(dimethyl-amino-methylidenyl)-cyclopent-5-en-5-yl- methylidenyl-dimethylammonium tetrafluoroborate","","- C11 H18 B Cl F4 N2 -","- C11 H18 B Cl F4 N2 -","- C44 H72 B4 Cl4 F16 N8 -","4","2","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","0.71073","MoKα","","0.1157","0.0845","","","0.2333","0.2497","","","","","","1.772","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105810","15.1142","0.0025","19.5329","0.0032","21.575","0.0026","90","","134.308","0.008","90","","4558","1.3","100","","100","","","","","","","","dichloromethane/diethylether","8","P 1 21/c 1","-P 2ybc","14","","2,5-di-(dimethyl-aminomethylidenyl)-cylcopentan-1-ylidene-chloro- bis(triphenylphosphine)palladium(ii) tetrafluoroborate dichloromethane solute","","- C48 H50 B Cl3 F4 N2 P2 Pd -","- C48 H50 B Cl3 F4 N2 P2 Pd -","- C192 H200 B4 Cl12 F16 N8 P8 Pd4 -","4","1","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","0.71073","Mo-Kα","","0.0686","0.0445","","","0.1118","0.1251","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7105811","15.9121","0.0016","14.9665","0.0015","18.7527","0.0019","90","","96.182","0.002","90","","4440","0.8","100","","100","","","","","","","","dichloromethane/diethylether","8","P 1 21/c 1","-P 2ybc","14","","2,5-di-(dimethyl-aminomethylidenyl)-cylcopentan-1-ylidene-chloro- bis(triphenylphosphine)platinum(ii) tetrafluoroborate dichloromethane solute","","- C48 H50 B Cl3 F4 N2 P2 Pt -","- C48 H50 B Cl3 F4 N2 P2 Pt -","- C192 H200 B4 Cl12 F16 N8 P8 Pt4 -","4","1","","Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner","Metal complexes with carbene ligands stabilized by lateral enamines","Chem.Commun.","2011","47","","776","","10.1039/c0cc03128c","","","0.71073","MoKα","","0.0405","0.0286","","","0.0764","0.089","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105812","16.9407","0.0016","10.3275","0.001","27.971","0.003","90","","103.202","0.002","90","","4764.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","\ (N-(2,6-diisopropylphenyl)-N-((1Z,3E)-3-(N-(2-(N,N- dimethylamino)ethyl)imino)-1-methylbut-1-\ enyl)amido- kappaN$1!,N$2!,N$3!)(N-(2,6-\ diisopropylphenyl) amido)(4-(N,N- dimethylamino)pyridine-2-selenolate-kappaN$1!, Se)scandium(iii), adduct with toluene 1","{<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-{(1<i>Z</i>,3<i>E</i>)-3- [<i>N</i>-(2-{<i>N</i>,<i>N</i>-dimethylamino}ethyl)imino]-1-methylbut-1-enyl}amido-κ<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^3^}[<i>N</i>-(2,6-diisopropylphenyl) amido][4-(<i>N</i>,<i>N</i>-dimethylamino)pyridine-2-selenolate-κ<i>N</i>^1^, <i>Se</i>]scandium(III), adduct with toluene 1 : 0.75","","- C45.25 H67 N6 Sc Se -","- C45.25 H67 N6 Sc Se -","- C181 H268 N24 Sc4 Se4 -","4","1","","Erli Lu; Jiaxiang Chu; Yaofeng Chen; Maxim Borzov; Guangyu Li","The scandium terminal imido complexes induced C-H bond selenation and the formation of Sc-Se bond","Chem.Commun.","2011","47","","743","","10.1039/c0cc03212c","","","0.71073","MoKα","","0.1424","0.068","","","0.157","0.1807","","","","","","0.928","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105813","9.46","0.0007","23.0011","0.0016","20.5013","0.0014","90","","101.978","0.002","90","","4363.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(N-(2,6-diisopropylphenyl)-N-((1Z,3E)-3-(N-(2,6- diisopropylphenyl)-N-((1Z,3E)-3-(N-(2-(N-(2-(N,N-dimethylamino)ethyl)-N- methylamino)ethyl)imino)-1-methylbut-1-enyl)amido- kappaN$1!,N$2!,N$3!)(N-(2,6-diisopropylphenyl)amido)\ (trimethylsilylmethyl)scandium(iii)","{<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-{(1<i>Z</i>,3<i>E</i>)-3- {<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-{(1<i>Z</i>,3<i>E</i>)- 3-[<i>N</i>-(2-{<i>N</i>-[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]- <i>N</i>-methylamino}ethyl)imino]-1-methylbut-1-enyl}amido- κ<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^3^}[<i>N</i>-(2,6-diisopropylphenyl)amido]\ (trimethylsilylmethyl)scandium(III)","","- C40 H70 N5 Sc Si -","- C40 H70 N5 Sc Si -","- C160 H280 N20 Sc4 Si4 -","4","1","","Erli Lu; Jiaxiang Chu; Yaofeng Chen; Maxim Borzov; Guangyu Li","The scandium terminal imido complexes induced C-H bond selenation and the formation of Sc-Se bond","Chem.Commun.","2011","47","","743","","10.1039/c0cc03212c","","","0.71073","MoKα","","0.1061","0.063","","","0.1492","0.1666","","","","","","1","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105814","10.9539","0.001","13.6426","0.0012","14.4239","0.0013","74.071","0.002","69.856","0.002","67.166","0.002","1840.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","\ (N-(2,6-diisopropylphenyl)-N-((1Z,3E)-3-(N-(2,6- diisopropylphenyl)-N-((1Z,3E)-3-(N-(2-(N-(2-(N,N-dimethylamino)ethyl)-N- methylamino)ethyl)imino)-1-methylbut-1-enyl)amido- kappaN$1!,N$2!,N$3!)(N-(2,6-diisopropylphenyl)imido)\ scandium(iii)","{<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-{(1<i>Z</i>,3<i>E</i>)-3- {<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-{(1<i>Z</i>,3<i>E</i>)- 3-[<i>N</i>-(2-{<i>N</i>-[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]- <i>N</i>-methylamino}ethyl)imino]-1-methylbut-1-enyl}amido- κ<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^3^}[<i>N</i>-(2,6-diisopropylphenyl)imido]scandium(III)","","- C36 H58 N5 Sc -","- C36 H58 N5 Sc -","- C72 H116 N10 Sc2 -","2","1","","Erli Lu; Jiaxiang Chu; Yaofeng Chen; Maxim Borzov; Guangyu Li","The scandium terminal imido complexes induced C-H bond selenation and the formation of Sc-Se bond","Chem.Commun.","2011","47","","743","","10.1039/c0cc03212c","","","0.71073","MoKα","","0.0701","0.0549","","","0.136","0.1443","","","","","","1.033","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105815","15.693","0.005","18.073","0.006","15.673","0.005","90","","90.126","0.008","90","","4445","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","\ (N-(2,6-diisopropylphenyl)-N-((1Z,3E)-3-(N-(2-(N- selenolatomethyl-N-methylamino)ethyl)imino)-1-\ methylbut-1-enyl)amido- kappaN$1!,N$2!,N$3!,Se)\ (N-(2,6-diisopropylphenyl)amido)scandium(iii), adduct with hexane 1","{<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-{(1<i>Z</i>,3<i>E</i>)-3- [<i>N</i>-(2-{<i>N</i>-selenolatomethyl-<i>N</i>-methylamino}ethyl)imino]-1-methylbut-1-enyl}amido-κ<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^3^,<i>Se</i>}[<i>N</i>-(2,6-diisopropylphenyl)amido]scandium(III), adduct with hexane 1 : 1","","- C42 H72 N5 Sc Se -","- C42 H72 N5 Sc Se -","- C168 H288 N20 Sc4 Se4 -","4","1","","Erli Lu; Jiaxiang Chu; Yaofeng Chen; Maxim Borzov; Guangyu Li","The scandium terminal imido complexes induced C-H bond selenation and the formation of Sc-Se bond","Chem.Commun.","2011","47","","743","","10.1039/c0cc03212c","","","0.71073","MoKα","","0.1988","0.0812","","","0.164","0.1981","","","","","","0.861","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105816","12.8443","0.0004","15.9047","0.0006","21.8952","0.0008","103.901","0.001","93.249","0.001","102.625","0.001","4208.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H150 Ag12 Cu6 N24 O57 S12 -","- C132 H150 Ag12 Cu6 N24 O57 S12 -","- C132 H150 Ag12 Cu6 N24 O57 S12 -","1","0.5","","Di Sun; Dan-Feng Wang; Xi-Guang Han; Na Zhang; Rong-Bin Huang; Lan-Sun Zheng","Stepwise synthesis of two 3d-4d heterometallic coordination polymers based on a hexnuclear silver(I) metalloligand","Chem.Commun.","2011","47","","746","","10.1039/c0cc03534c","","","0.71073","MoKα","","0.099","0.0771","","","0.1688","0.1841","","","","","","1.069","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105817","12.5619","0.0003","12.6722","0.0003","13.559","0.003","85.83","0.001","64.096","0.001","60.566","0.001","1662.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H66 Ag6 N12 O24 S6 Zn3 -","- C42 H66 Ag6 N12 O24 S6 Zn3 -","- C42 H66 Ag6 N12 O24 S6 Zn3 -","1","0.5","","Di Sun; Dan-Feng Wang; Xi-Guang Han; Na Zhang; Rong-Bin Huang; Lan-Sun Zheng","Stepwise synthesis of two 3d-4d heterometallic coordination polymers based on a hexnuclear silver(I) metalloligand","Chem.Commun.","2011","47","","746","","10.1039/c0cc03534c","","","0.71073","MoKα","","0.0313","0.0279","","","0.0683","0.0704","","","","","","1.028","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105818","10.5822","0.0007","12.3023","0.0008","13.8898","0.001","64.445","0.001","89.446","0.001","72.167","0.001","1537.11","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H66 Co4 N10 O34 -","- C48 H66 Co4 N10 O34 -","- C48 H66 Co4 N10 O34 -","1","0.5","","David Aguila; Leoni Barrios; Olivier Roubeau; Simon Teat; Guillem Aromi","Molecular assembly of two [Co(II)4] linear arrays","Chem.Commun.","2011","47","","707","","10.1039/c0cc03646c","","","0.7749","synchrotron","","0.0394","0.0342","","","0.0937","0.0977","","","","","","1.019","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105819","12.775","0.003","16.956","0.003","18.838","0.004","65.59","0.03","70.26","0.03","87.57","0.03","3474.9","1.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H122 Co8 N26 O46 -","- C138 H110 Co8 N26 O46 -","- C138 H110 Co8 N26 O46 -","1","0.5","","David Aguila; Leoni Barrios; Olivier Roubeau; Simon Teat; Guillem Aromi","Molecular assembly of two [Co(II)4] linear arrays","Chem.Commun.","2011","47","","707","","10.1039/c0cc03646c","","","0.7515","synchrotron","","0.1049","0.0792","","","0.2113","0.2403","","","","","","1.04","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105820","24.936","0.003","12.9012","0.0017","28.201","0.004","90","","95.206","0.006","90","","9035","2","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C206 H254 N16 Zn4 -","- C193.172 H224.068 N16 Zn4 -","- C386.344 H448.136 N32 Zn8 -","2","0.5","","Li Ma; Brian Patrick; David Dolphin","Self-assembly of [2x2] grids and a hexagon using bis(dipyrrin)s","Chem.Commun.","2011","47","","704","","10.1039/c0cc03765f","","","0.71073","MoKα","","0.1061","0.0586","","","0.1615","0.1849","","","","","","1.104","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105821","24.2358","0.0014","24.2358","0.0014","11.848","0.0006","90","","90","","120","","6026.9","0.6","103","0.1","103","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C243.24 H219.24 Cl9.72 F12 N24 Zn6 -","- C243.276 H219.276 Cl9.828 F12 N24 Zn6 -","- C243.276 H219.276 Cl9.828 F12 N24 Zn6 -","1","0.166667","","Li Ma; Brian Patrick; David Dolphin","Self-assembly of [2x2] grids and a hexagon using bis(dipyrrin)s","Chem.Commun.","2011","47","","704","","10.1039/c0cc03765f","","","0.71073","MoKα","","0.0811","0.0623","","","0.1711","0.1862","","","","","","1.083","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105822","16.137","0.005","10.33","0.005","20.677","0.005","90","0.005","97.444","0.005","90","0.005","3418","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C152 H136 Cl8 N16 O8 -","8","2","","Yeming Wang; Xihe Bi; Dehua Li; Peiqiu Liao; Yidong Wang; Jin Yang; Qian Zhang; Qun Liu","Iron-catalyzed synthesis of polysubstituted pyrroles via [4C+1N] cyclization of 4-acetylenic ketones with primary amines","Chem.Commun.","2011","47","","809","","10.1039/c0cc03802d","","","1.54184","CuKα","","0.1401","0.0696","","","0.1624","0.1976","","","","","","0.852","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105823","11.6749","0.0013","13.2874","0.0015","14.1474","0.0016","97.019","0.002","93.666","0.002","107.317","0.002","2067.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H40 Co N6 -","- C55 H40 Co N6 -","- C110 H80 Co2 N12 -","2","1","","Kimberly Fields; James Engle; Saovalak Sripothongnak; Chungsik Kim; X. Peter Zhang; Christopher Ziegler","Cobalt carbaporphyrin-catalyzed cyclopropanation","Chem.Commun.","2011","47","","749","","10.1039/c0cc03894f","","","0.71073","MoKα","","0.1221","0.0755","","","0.1471","0.1629","","","","","","1.087","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105824","21.6684","0.0015","17.1353","0.0012","22.1912","0.0015","90","","98.668","0.001","90","","8145.4","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C108 H76 Co2 N12 -","- C108 H76 Co2 N12 -","- C432 H304 Co8 N48 -","4","1","","Kimberly Fields; James Engle; Saovalak Sripothongnak; Chungsik Kim; X. Peter Zhang; Christopher Ziegler","Cobalt carbaporphyrin-catalyzed cyclopropanation","Chem.Commun.","2011","47","","749","","10.1039/c0cc03894f","","","0.71073","MoKα","","0.079","0.0597","","","0.1498","0.158","","","","","","1.041","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105825","15.1399","0.001","15.1399","0.001","8.9784","0.0012","90","","90","0.001","120","","1782.3","0.3","273","2","273","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C12 H8 Cu N4 -","- C12 H8 Cu N4 -","- C72 H48 Cu6 N24 -","6","0.5","","Shui-Sheng Chen; Min Chen; Satoshi Takamizawa; Man-Sheng Chen; Zhi Su; Wei-Yin Sun","Temperature dependent selective gas sorption of the microporous metal-imidazolate framework [Cu(L)] [H2L = 1,4-di(1H-imidazol-4-yl)benzene]","Chem.Commun.","2011","47","","752","","10.1039/c0cc04085a","","","0.71073","MoKα","","0.0453","0.0355","","","0.08","0.0833","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105826","19.4031","0.0002","20.095","0.0002","46.4769","0.0006","90","","90","","90","","18121.6","0.3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H32 In2 N2 O14 -","- C33 H23 In2 N2 O15 -","- C528 H368 In32 N32 O240 -","16","0.5","","Yan-Xi Tan; Fei Wang; Yao Kang; Jian Zhang","Dynamic microporous indium(III)-4,4?-oxybis(benzoate) framework with high selectivity for the adsorption of CO2 over N2","Chem.Commun.","2011","47","","770","","10.1039/c0cc04095a","","","0.71073","MoKα","","0.0629","0.0415","","","0.1368","0.1527","","","","","","1.133","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105827","8.3226","0.0018","13.634","0.003","18.604","0.004","90","","102.48","0.003","90","","2061.1","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C104 H84 N4 O16 -","4","1","","Siyu Ye; Zhixiang Yu","TfOH-catalyzed tandem cyclopropane ring enlargement/C–C formation/etherification of alkynylcyclopropanes and 1,3-diketones to cyclobutane-fused dihydrofurans","Chem.Commun.","2011","47","","794","","10.1039/c0cc04283h","","","0.71073","MoKα","","0.064","0.058","","","0.1135","0.1163","","","","","","1.24","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105828","14.565","0.0003","6.28328","0.00013","28.6812","0.0006","90","","105.379","0.001","90","","2530.8","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 N3 -","- C30 H39 N3 -","- C120 H156 N12 -","4","1","","Daiki Kuzuhara; Hiroko Yamada; ZhaoLi Xue; Tetsuo Okujima; Shigeki Mori; Zhen Shen; Hidemitsu Uno","New synthesis of meso-free-[14]triphyrin(2.1.1) by McMurry coupling and its derivatization to Mn(I) and Re(I) complexes","Chem.Commun.","2011","47","","722","","10.1039/c0cc04286b","","","1.54187","CuKα","","0.0758","0.0558","","","0.1343","0.1487","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105829","10.844","0.002","15.867","0.003","17.615","0.004","90","","99.781","0.003","90","","2986.8","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 Mn N3 O3 -","- C33 H38 Mn N3 O3 -","- C132 H152 Mn4 N12 O12 -","4","1","","Daiki Kuzuhara; Hiroko Yamada; ZhaoLi Xue; Tetsuo Okujima; Shigeki Mori; Zhen Shen; Hidemitsu Uno","New synthesis of meso-free-[14]triphyrin(2.1.1) by McMurry coupling and its derivatization to Mn(I) and Re(I) complexes","Chem.Commun.","2011","47","","722","","10.1039/c0cc04286b","","","0.71075","MoKα","","0.0531","0.0485","","","0.1069","0.1096","","","","","","1.111","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105830","10.1361","0.0017","10.5681","0.0018","13.789","0.002","87.855","0.004","87.178","0.005","84.036","0.006","1466.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 N3 O3 Re -","- C33 H38 N3 O3 Re -","- C66 H76 N6 O6 Re2 -","2","1","","Daiki Kuzuhara; Hiroko Yamada; ZhaoLi Xue; Tetsuo Okujima; Shigeki Mori; Zhen Shen; Hidemitsu Uno","New synthesis of meso-free-[14]triphyrin(2.1.1) by McMurry coupling and its derivatization to Mn(I) and Re(I) complexes","Chem.Commun.","2011","47","","722","","10.1039/c0cc04286b","","","0.71075","MoKα","","0.0159","0.0156","","","0.0387","0.0389","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105831","24.743","0.004","24.743","0.004","24.743","0.004","90","","90","","90","","15148","4","140","","","","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C6 H19 Cl2 Cu3 N9 O7 -","- C6 Cl1.998 Cu3 N9 O7.002 -","- C192 Cl63.936 Cu96 N288 O224.064 -","32","0.166667","","Tetsuya Yamada; Goro Maruta; Sadamu Takeda","Reversible Solid State Structural Conversion between Three-dimensional Network and One-dimensional Chain of Cu(II) Triazole Coordination Polymers in Acidic/Basic- Suspensions or Vapors","Chem.Commun.","2011","47","","653","","10.1039/c0cc04293e","","","0.71075","MoKα","","0.0581","0.047","","","0.05","0.0688","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105832","24.719","0.008","24.719","0.008","24.719","0.008","90","","90","","90","","15104","8","26","","","","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C6 H19 Br2 Cu3 N9 O7 -","- C6 Br1.998 Cu3 N9 O7.002 -","- C192 Br63.936 Cu96 N288 O224.064 -","32","0.166667","","Tetsuya Yamada; Goro Maruta; Sadamu Takeda","Reversible Solid State Structural Conversion between Three-dimensional Network and One-dimensional Chain of Cu(II) Triazole Coordination Polymers in Acidic/Basic- Suspensions or Vapors","Chem.Commun.","2011","47","","653","","10.1039/c0cc04293e","","","0.6884","Sr","","0.0959","0.0841","","","0.0993","0.1415","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105833","7.7646","0.0002","32.3379","0.0009","8.6387","0.0003","90","","114.396","0.001","90","","1975.43","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H23 Co Li N3 O16 P4 -","- C6 H23 Co Li N3 O16 P4 -","- C24 H92 Co4 Li4 N12 O64 P16 -","4","1","","Michael Montag; Christopher Clough; Peter Muller; Christopher Cummins","Cyclophosphates as ligands for cobalt(III) in water","Chem.Commun.","2011","47","","662","","10.1039/c0cc04342g","","","1.54178","CuKα","","0.0265","0.026","","","0.0666","0.0669","","","","","","1.105","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105834","12.0751","0.001","10.6607","0.0008","15.4913","0.0012","90","","109.078","0.001","90","","1884.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H27 Co N3 O15 P3 -","- C6 H27 Co N3 O15 P3 -","- C24 H108 Co4 N12 O60 P12 -","4","1","","Michael Montag; Christopher Clough; Peter Muller; Christopher Cummins","Cyclophosphates as ligands for cobalt(III) in water","Chem.Commun.","2011","47","","662","","10.1039/c0cc04342g","","","0.71073","MoKα","","0.0413","0.0304","","","0.07","0.0761","","","","","","1.05","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105835","11.9164","0.0013","11.4393","0.0012","17.345","0.002","90","","109.959","0.007","90","","2222.4","0.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C104 H96 N8 O20 -","4","1","","Lingchao Cai; Bo Zhang; Guiping Wu; Haibin Song; Zhengjie He","Chemoselective phosphine-catalyzed cascade annulations between two different activated alkenes: highly diastereoselective syntheses of polysubstituted cyclohexanes and cyclopentenes","Chem.Commun.","2011","47","","1045","","10.1039/c0cc02817g","","","1.54187","CuKα","","0.0443","0.0404","","","0.1087","0.1118","","","","","","1.069","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105836","8.0537","0.0016","24.192","0.005","9.0943","0.0018","90","","94.02","0.03","90","","1767.5","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","","Lingchao Cai; Bo Zhang; Guiping Wu; Haibin Song; Zhengjie He","Chemoselective phosphine-catalyzed cascade annulations between two different activated alkenes: highly diastereoselective syntheses of polysubstituted cyclohexanes and cyclopentenes","Chem.Commun.","2011","47","","1045","","10.1039/c0cc02817g","","","0.71073","MoKα","","0.0542","0.0483","","","0.1253","0.1326","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105837","9.1483","0.0004","21.8882","0.0009","29.7527","0.0009","90","","90","","90","","5957.7","0.4","120","","120","","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C68 H88 Co N4 O5.5 -","- C60 H72 Co N4 O3.5 -","- C240 H288 Co4 N16 O14 -","4","1","","Lena Arnold; Hassan Norouzi-Arasi; Manfred Wagner; Volker Enkelmann; Klaus Mullen","A Porphyrin-Related Macrocycle from Carbazole and Pyridine Building Blocks: Synthesis and Metal Coordination","Chem.Commun.","2011","47","","970","","10.1039/c0cc03052j","","","0.71073","MoKα","","0.0826","0.0625","","0.2536","0.063","0.063","","","","","","0.9431","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105838","8.9009","0.0003","22.2751","0.0009","29.7836","0.0009","90","","90","","90","","5905.1","0.4","120","","120","","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C68 H88 N4 O4.5 -","- C64 H80 N4 O3.5 -","- C256 H320 N16 O14 -","4","1","","Lena Arnold; Hassan Norouzi-Arasi; Manfred Wagner; Volker Enkelmann; Klaus Mullen","A Porphyrin-Related Macrocycle from Carbazole and Pyridine Building Blocks: Synthesis and Metal Coordination","Chem.Commun.","2011","47","","970","","10.1039/c0cc03052j","","","0.71073","MoKα","","0.0866","0.0532","","0.2512","0.0578","0.0578","","","","","","0.8998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105839","6.273","0.003","10.862","0.004","16.439","0.004","89.178","0.002","81.131","0.008","89.707","0.005","1106.6","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H28 O3 -","- C27 H28 O3 -","- C54 H56 O6 -","2","1","","Nathalie Pinto; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Organocatalytic Enantioselective Desymmetrization of Cyclic Enones via Phosphine Promoted [3+2] Annulations","Chem.Commun.","2011","47","","1015","","10.1039/c0cc03164j","","","0.71069","MoKα","","0.075","0.0504","","","0.129","0.1458","","","","","","1.034","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105840","10.2212","0.0006","13.6183","0.0008","21.3423","0.0013","80.248","0.002","87.129","0.002","71.128","0.002","2770.4","0.3","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C78 F42 -","- C78 F42 -","- C156 F84 -","2","1","","Natalia Shustova; Igor V. Kuvychko; Dmitry Peryshkov; James Whitaker; Bryon Larson; Yu-Sheng Chen; Lothar Dunsch; Konrad Seppelt; Alexey Popov; Steven Strauss; Olga Boltalina","Chemical tailoring of fullerene acceptor materials: synthesis, structures and electrochemical properties of perfluoroisopropylfullerenes","Chem.Commun.","2011","47","","875","","10.1039/c0cc03247f","","","0.4428","synchrotron","","0.0941","0.0598","","","0.1433","0.1625","","","","","","1.046","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105841","19.622","0.004","17.836","0.003","10.009","0.002","90","","90","","90","","3502.9","1.2","150","2","150","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C66 F14 -","- C66 F14 -","- C264 F56 -","4","0.5","","Natalia Shustova; Igor V. Kuvychko; Dmitry Peryshkov; James Whitaker; Bryon Larson; Yu-Sheng Chen; Lothar Dunsch; Konrad Seppelt; Alexey Popov; Steven Strauss; Olga Boltalina","Chemical tailoring of fullerene acceptor materials: synthesis, structures and electrochemical properties of perfluoroisopropylfullerenes","Chem.Commun.","2011","47","","875","","10.1039/c0cc03247f","","","0.7749","synchrotron","","0.0534","0.0399","","","0.1091","0.115","","","","","","1.024","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105842","22.645","0.004","10.1528","0.0017","23.011","0.004","90","","115.435","0.008","90","","4777.7","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C75.5 H F28 -","- C75.5 H F28 -","- C302 H4 F112 -","4","1","","Natalia Shustova; Igor V. Kuvychko; Dmitry Peryshkov; James Whitaker; Bryon Larson; Yu-Sheng Chen; Lothar Dunsch; Konrad Seppelt; Alexey Popov; Steven Strauss; Olga Boltalina","Chemical tailoring of fullerene acceptor materials: synthesis, structures and electrochemical properties of perfluoroisopropylfullerenes","Chem.Commun.","2011","47","","875","","10.1039/c0cc03247f","","","0.71073","MoKα","","0.1763","0.0643","","","0.1375","0.1759","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105843","10.0294","0.0004","12.1981","0.0005","21.9933","0.0009","75.6","0.002","81.858","0.002","75.199","0.002","2510.87","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C78 H6 F28 -","- C78 H6 F28 -","- C156 H12 F56 -","2","1","","Natalia Shustova; Igor V. Kuvychko; Dmitry Peryshkov; James Whitaker; Bryon Larson; Yu-Sheng Chen; Lothar Dunsch; Konrad Seppelt; Alexey Popov; Steven Strauss; Olga Boltalina","Chemical tailoring of fullerene acceptor materials: synthesis, structures and electrochemical properties of perfluoroisopropylfullerenes","Chem.Commun.","2011","47","","875","","10.1039/c0cc03247f","","","0.71073","MoKα","","0.0832","0.0671","","","0.1845","0.2005","","","","","","1.008","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105844","10.655","0.0007","12.7551","0.0009","14.3432","0.001","103.409","0.006","99.559","0.006","99.746","0.006","1825.5","0.2","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H70 Cl2 Fe4 N4 O8 P4 S4 -","- C71 H70 Cl2 Fe4 N4 O8 P4 S4 -","- C71 H70 Cl2 Fe4 N4 O8 P4 S4 -","1","0.5","","Sondes Lounissi; Jean-Francois Capon; Frederic Gloaguen; Fatma Matoussi; Francois Petillon; Philippe Schollhammer; Jean Talarmin","Diiron species containing a cyclic PPh2NPh2 diphosphine related to the [FeFe]H2ases active site","Chem.Commun.","2011","47","","878","","10.1039/c0cc03295f","","","0.71073","MoKα","","0.1094","0.0659","","","0.1238","0.1392","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105845","16.7119","0.0008","12.2358","0.0005","19.4661","0.001","90","","94.263","0.005","90","","3969.5","0.3","170","2","170","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 Cl2 Fe2 N2 O5 P2 S3 -","- C37 H36 Cl2 Fe2 N2 O5 P2 S3 -","- C148 H144 Cl8 Fe8 N8 O20 P8 S12 -","4","1","","Sondes Lounissi; Jean-Francois Capon; Frederic Gloaguen; Fatma Matoussi; Francois Petillon; Philippe Schollhammer; Jean Talarmin","Diiron species containing a cyclic PPh2NPh2 diphosphine related to the [FeFe]H2ases active site","Chem.Commun.","2011","47","","878","","10.1039/c0cc03295f","","x-ray","0.71073","MoKα","","0.1014","0.051","","","0.1034","0.1185","","","","","","0.924","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7105846","12.057","0.003","16.67","0.004","20.047","0.003","68.826","0.012","70.639","0.011","79.729","0.013","3536.9","1.4","173","","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H66 B F24 Ge P Ru S -","- C72 H66 B F24 Ge P Ru S -","- C144 H132 B2 F48 Ge2 P2 Ru2 S2 -","2","1","","Tsuyoshi Matsumoto; Naohisa Itakura; Yukiko Nakaya; Kazuyuki Tatsumi","Dihydrogen activation by sulfido-bridged dinuclear Ru/Ge complexes: insight into the [NiFe] hydrogenase unready state","Chem.Commun.","2011","47","","1030","","10.1039/c0cc03391j","","","0.7107","MoKα","","","0.055","","","","0.1597","","","","","","1.085","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105847","16.292","0.002","9.2011","0.0014","24.751","0.004","90","","91.198","0.002","90","","3709.5","0.9","173.1","","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 Ge P Ru S -","- C40 H53 Ge P Ru S -","- C160 H212 Ge4 P4 Ru4 S4 -","4","1","","Tsuyoshi Matsumoto; Naohisa Itakura; Yukiko Nakaya; Kazuyuki Tatsumi","Dihydrogen activation by sulfido-bridged dinuclear Ru/Ge complexes: insight into the [NiFe] hydrogenase unready state","Chem.Commun.","2011","47","","1030","","10.1039/c0cc03391j","","","0.7107","MoKα","","","0.0568","","","","0.1583","","","","","","0.954","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105848","9.5132","0.001","18.4101","0.0016","30.0492","0.0019","90","","90","","90","","5262.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H80 Al2 N4 O2 Zn -","- C57 H80 Al2 N4 O2 Zn -","- C228 H320 Al8 N16 O8 Zn4 -","4","1","","Janusz Lewinski; Tomasz Kaczorowski; Iwona Justyniak; Daniel Prochowicz","Development of Chiral N,N-Ditopic Metalloligands Based on Cinchona Alkaloids for Constructing Homochiral Coordination Polymers","Chem.Commun.","2011","47","","950","","10.1039/c0cc03586f","","","0.71073","MoKα","","0.0943","0.0706","","","0.1496","0.1642","","","","","","0.999","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105849","25.1451","0.0004","31.1622","0.0007","14.4981","0.0007","90","","90","","90","","11360.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C88 H120 Al4 N8 O4 Zn2 -","- C88 H120 Al4 N8 O4 Zn2 -","- C352 H480 Al16 N32 O16 Zn8 -","4","1","","Janusz Lewinski; Tomasz Kaczorowski; Iwona Justyniak; Daniel Prochowicz","Development of Chiral N,N-Ditopic Metalloligands Based on Cinchona Alkaloids for Constructing Homochiral Coordination Polymers","Chem.Commun.","2011","47","","950","","10.1039/c0cc03586f","","","0.71073","MoKα","","0.0955","0.0736","","","0.1797","0.1894","","","","","","1.136","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105850","13.425","0.006","10.594","0.003","8.249","0.004","90","","97.152","0.01","90","","1164.1","0.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Christopher Lawson; Alexandra Slawin; Nicholas Westwood","Application of the copper catalysed N-arylation of amidines in the synthesis of analogues of the chemical tool, Blebbistatin","Chem.Commun.","2011","47","","1057","","10.1039/c0cc03624b","","","0.71073","MoKα","","0.0538","0.0461","","","0.1209","0.1306","","","","","","0.821","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105851","9.82","0.002","10.097","0.003","12.209","0.004","84.126","0.018","81.77","0.02","80.108","0.017","1176.5","0.6","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","2","","Christopher Lawson; Alexandra Slawin; Nicholas Westwood","Application of the copper catalysed N-arylation of amidines in the synthesis of analogues of the chemical tool, Blebbistatin","Chem.Commun.","2011","47","","1057","","10.1039/c0cc03624b","","","0.71073","MoKα","","0.0772","0.0578","","","0.1388","0.1577","","","","","","1.051","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105852","11.356","0.002","16.525","0.004","18.416","0.004","90","","90","","90","","3455.9","1.3","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C168 H160 N16 -","8","2","","Christopher Lawson; Alexandra Slawin; Nicholas Westwood","Application of the copper catalysed N-arylation of amidines in the synthesis of analogues of the chemical tool, Blebbistatin","Chem.Commun.","2011","47","","1057","","10.1039/c0cc03624b","","","0.71073","MoKα","","0.0758","0.0561","","","0.1291","0.1419","","","","","","1.095","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105853","14.811","0.005","19.09","0.007","13.027","0.004","90","","90","","90","","3683","2","233","2","233","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H52 B18 N2 Zn3 -","- C20 H52 B18 N2 Zn3 -","- C80 H208 B72 N8 Zn12 -","4","0.5","","Jong-Dae Lee; Won-Sik Han; Tae-Jin Kim; Sang Hern Kim; Sang Ook Kang","Charge-compensated Zn metallocenes with s-/p-chelating carboranyl ligands for the formation of constrained geometry Ru(II) and Ni(II) complexes","Chem.Commun.","2011","47","","1018","","10.1039/c0cc03787g","","","0.71073","MoKα","","0.1591","0.0663","","","0.1708","0.2504","","","","","","1.018","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105854","9.739","0.005","10.464","0.005","16.253","0.008","98.253","0.01","101.615","0.01","116.492","0.011","1399.7","1.2","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H40 B9 N Zn2 -","- C23 H40 B9 N Zn2 -","- C46 H80 B18 N2 Zn4 -","2","1","","Jong-Dae Lee; Won-Sik Han; Tae-Jin Kim; Sang Hern Kim; Sang Ook Kang","Charge-compensated Zn metallocenes with s-/p-chelating carboranyl ligands for the formation of constrained geometry Ru(II) and Ni(II) complexes","Chem.Commun.","2011","47","","1018","","10.1039/c0cc03787g","","","0.71073","MoKα","","0.3056","0.0828","","","0.1973","0.3267","","","","","","0.879","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105855","25.991","0.007","13.823","0.005","19.904","0.007","90","","106.586","0.014","90","","6853","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl N7 O Ru -","- C27 H22 Cl N7 O Ru -","- C216 H176 Cl8 N56 O8 Ru8 -","8","1","","Holger Willms; Matthew Cowan; Sally Brooker","Heteroleptic N6 coordinated ruthenium(II) complexes as building blocks for the formation of discrete Ru2Ag2 complexes","Chem.Commun.","2011","47","","1063","","10.1039/c0cc03969a","","","0.71073","MoKα","","0.1252","0.0821","","","0.2003","0.2202","","","","","","0.971","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105856","9.9592","0.0014","11.1964","0.0018","15.636","0.003","72.889","0.008","74.776","0.007","78.295","0.007","1592.9","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H26 B2 F8 N8 O Ru -","- C29 H26 B2 F8 N8 O Ru -","- C58 H52 B4 F16 N16 O2 Ru2 -","2","1","","Holger Willms; Matthew Cowan; Sally Brooker","Heteroleptic N6 coordinated ruthenium(II) complexes as building blocks for the formation of discrete Ru2Ag2 complexes","Chem.Commun.","2011","47","","1063","","10.1039/c0cc03969a","","","0.71073","MoKα","","0.039","0.0348","","","0.0787","0.082","","","","","","1.095","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105857","18.8896","0.0013","15.1926","0.0013","16.4503","0.0011","90","","114.623","0.004","90","","4291.7","0.6","90","2","90","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C66 H66 Ag2 B4 F16 N18 O3 Ru2 -","- C66 H66 Ag2 B4 F16 N18 O3 Ru2 -","- C132 H132 Ag4 B8 F32 N36 O6 Ru4 -","2","0.25","","Holger Willms; Matthew Cowan; Sally Brooker","Heteroleptic N6 coordinated ruthenium(II) complexes as building blocks for the formation of discrete Ru2Ag2 complexes","Chem.Commun.","2011","47","","1063","","10.1039/c0cc03969a","","","0.71073","MoKα","","0.0754","0.0615","","","0.1691","0.183","","","","","","1.061","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105858","10.8683","0.0003","20.9734","0.0005","5.9459","0.0002","90","","98.702","0.003","90","","1339.74","0.07","150","2","150","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C34 H22 S4 -","- C34 H22 S4 -","- C68 H44 S8 -","2","0.25","","Kamaljit Singh; Amit Sharma; Jing Zhang; Wei Xu; Daoben Zhu","New Sulphur Bridged Neutral Annulenes. Structure, Physical Properties and Applications in Organic Field-Effect Transistors","Chem.Commun.","2011","47","","905","","10.1039/c0cc03974h","","","0.71073","MoKα","","0.0391","0.0295","","","0.0695","0.0714","","","","","","1.055","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105859","14.575","0.003","10.495","0.002","17.554","0.004","90","","90.575","0.004","90","","2685","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C120 H152 N24 O8 -","4","1","","Costa, Roshinee; Ziegler, Christopher J.","Cyclohexylcyanine: a new aliphatic phthalocyanine analogue","Chem.Commun.","2011","47","","982","984","10.1039/c0cc04029k","","","0.71073","MoKα","","0.0627","0.0522","","","0.1297","0.1381","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7105860","18.681","0.003","11.34","0.002","33.734","0.006","90","","90.38","0.005","90","","7146","2","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C132 H140 Ag3 N31 O9 -","- C132 H140 Ag3 N31 O9 -","- C264 H280 Ag6 N62 O18 -","2","0.5","","Costa, Roshinee; Ziegler, Christopher J.","Cyclohexylcyanine: a new aliphatic phthalocyanine analogue","Chem.Commun.","2011","47","","982","984","10.1039/c0cc04029k","","","0.71073","MoKα","","0.1263","0.0824","","","0.2115","0.2403","","","","","","0.971","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7105861","20.449","0.0017","15.5529","0.0013","13.6581","0.0011","90","","90.197","0.002","90","","4343.8","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl4 Co3 N10 O6 -","- C31 H38 Cl4 Co3 N10 O6 -","- C124 H152 Cl16 Co12 N40 O24 -","4","0.5","","Jian-Bin Lin; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","An ionic porous coordination framework exhibiting high CO2 affinity and CO2/CH4 selectivity","Chem.Commun.","2011","47","","926","","10.1039/c0cc04089d","","","0.71073","MoKα","","0.083","0.0621","","","0.1786","0.2039","","","","","","1.007","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105862","20.545","0.005","15.456","0.004","13.721","0.004","90","","90.865","0.004","90","","4357","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 Cl4 Co3 N10 O3 -","- C31 H32 Cl4 Co3 N10 O3 -","- C124 H128 Cl16 Co12 N40 O12 -","4","0.5","","Jian-Bin Lin; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","An ionic porous coordination framework exhibiting high CO2 affinity and CO2/CH4 selectivity","Chem.Commun.","2011","47","","926","","10.1039/c0cc04089d","","","0.71073","MoKα","","0.0905","0.0614","","","0.1641","0.1911","","","","","","1.004","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105863","20.787","0.002","15.4366","0.0018","13.7906","0.0015","90","","90.899","0.002","90","","4424.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 Cl4 Co3 N10 O3 -","- C31 H32 Cl4 Co3 N10 O3 -","- C124 H128 Cl16 Co12 N40 O12 -","4","0.5","","Jian-Bin Lin; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","An ionic porous coordination framework exhibiting high CO2 affinity and CO2/CH4 selectivity","Chem.Commun.","2011","47","","926","","10.1039/c0cc04089d","","","0.71073","MoKα","","0.1241","0.0715","","","0.1834","0.2219","","","","","","1.004","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105864","20.471","0.002","15.3812","0.0017","13.8175","0.0016","90","","90.271","0.002","90","","4350.6","0.8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cl4 Co3 N10 O5 -","- C32 H32 Cl4 Co3 N10 O5 -","- C128 H128 Cl16 Co12 N40 O20 -","4","0.5","","Jian-Bin Lin; Wei Xue; Jie-Peng Zhang; Xiao-Ming Chen","An ionic porous coordination framework exhibiting high CO2 affinity and CO2/CH4 selectivity","Chem.Commun.","2011","47","","926","","10.1039/c0cc04089d","","","0.71073","MoKα","","0.0996","0.0667","","","0.1827","0.21","","","","","","1.008","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105865","12.403","0.003","13.676","0.003","14.347","0.004","101.628","0.004","101.186","0.004","106.532","0.004","2201.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H102 B2 F8 N6 O16 -","- C96 H102 B2 F8 N6 O16 -","- C96 H102 B2 F8 N6 O16 -","1","0.5","","Stephen Loeb; Darren Mercer; Nicholas Vukotic","Linking [2]rotaxane wheels to create a new type of metal organic rotaxane framework","Chem.Commun.","2011","47","","896","","10.1039/c0cc04139d","","","0.71073","MoKα","","0.2129","0.1312","","","0.2013","0.2302","","","","","","1.204","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105866","11.3414","0.0017","16.817","0.002","22.03","0.003","107.475","0.002","97.65","0.002","107.379","0.002","3708.5","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H149 B6 Cd2 F24 N19 O20 -","- C134 H149 B6 Cd2 F24 N19 O20 -","- C134 H149 B6 Cd2 F24 N19 O20 -","1","0.5","","Stephen Loeb; Darren Mercer; Nicholas Vukotic","Linking [2]rotaxane wheels to create a new type of metal organic rotaxane framework","Chem.Commun.","2011","47","","896","","10.1039/c0cc04139d","","","0.71073","MoKα","","0.1091","0.0887","","","0.2249","0.2389","","","","","","1.139","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105867","17.006","0.002","18.712","0.002","19.944","0.003","90","","102.151","0.002","90","","6204.3","1.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C104 H134 B2 Cd2 Cl4 F8 N14 O36 -","- C96 H110 B2 Cd2 Cl4 F8 N6 O20 -","- C192 H220 B4 Cd4 Cl8 F16 N12 O40 -","2","0.5","","Stephen Loeb; Darren Mercer; Nicholas Vukotic","Linking [2]rotaxane wheels to create a new type of metal organic rotaxane framework","Chem.Commun.","2011","47","","896","","10.1039/c0cc04139d","","","0.71073","MoKα","","0.1342","0.1195","","","0.3443","0.3638","","","","","","1.537","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105868","9.5455","0.0006","14.7281","0.001","20.673","0.002","90","","90","","90","","2906.4","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N3 O6 -","- C32 H33 N3 O6 -","- C128 H132 N12 O24 -","4","1","","Huaimin Wang; Zheng Wang; Xiaoyi Yi; Jiafu Long; Jianfeng Liu; Zhimou Yang","Anti-degradation of a recombinant complex protein by incoporation in small molecular hydrogels","Chem.Commun.","2011","47","","955","","10.1039/c0cc04249h","","","1.54178","CuKα","","0.0613","0.038","","","0.0667","0.0711","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105869","8.752","0.006","10.838","0.008","11.416","0.008","69.727","0.009","85.757","0.009","85.893","0.008","1011.8","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Palash Pandit; Nirbhik Chatterjee; Dilip K. Maiti","First synthesis of fused-?1-pyrrolines via intramolecular 1,3-dipolar cycloaddition of ketoimine: A complete diastereoselective approach","Chem.Commun.","2011","47","","1285","","10.1039/c0cc03873c","","","0.71073","MoKα","","0.0694","0.0469","","","0.1387","0.1646","","","","","","0.973","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105870","5.679836","0.000031","11.411299","0.000069","34.57185","0.00021","90","","90","","90","","2240.75","0.02","12","","12","","","","","","","","","4","P 1","P 1","1","","","","- Ce2 Fe O2 Se2 -","- Ce2 Fe O2 Se2 -","- Ce32 Fe16 O32 Se32 -","16","16","","Emma McCabe; David Free; John Evans","A new iron oxyselenide Ce2O2FeSe2: synthesis and characterisation","Chem.Commun.","2011","47","","1261","","10.1039/c0cc03477k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105871","5.7004","0.000026","5.71946","0.000026","17.31342","0.000087","90","","90","","90","","564.473","0.005","295","","295","","","","","","","","","4","I m c b","-I 2a 2","72","","","","- Ce2 Fe O2 Se2 -","- Ce2 Fe O2 Se2 -","- Ce8 Fe4 O8 Se8 -","4","0.25","","Emma McCabe; David Free; John Evans","A new iron oxyselenide Ce2O2FeSe2: synthesis and characterisation","Chem.Commun.","2011","47","","1261","","10.1039/c0cc03477k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105872","11.747","0.0014","9.1555","0.0011","11.5381","0.0013","90","","90","","90","","1240.9","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H4 Cd2 N8 O6 -","- C4 Cd2 N8 O6 -","- C16 Cd8 N32 O24 -","4","1","","Di-Chang Zhong; Wei-Xiong Zhang; Feng-Lei Cao; Long Jiang; Tong-Bu Lu","A three-dimensional microporous metal-organic framework with large hydrogen sorption hysteresis","Chem.Commun.","2011","47","","1204","","10.1039/c0cc03506h","","","0.71073","MoKα","","0.0284","0.0236","","","0.0604","0.0658","","","","","","1.032","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105873","11.8184","","8.3244","","11.9153","","90","","90","","90","","1172.24","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H4 Cd2 N8 O6 -","- C4 Cd2 N8 O4 -","- C16 Cd8 N32 O16 -","4","1","","Di-Chang Zhong; Wei-Xiong Zhang; Feng-Lei Cao; Long Jiang; Tong-Bu Lu","A three-dimensional microporous metal-organic framework with large hydrogen sorption hysteresis","Chem.Commun.","2011","47","","1204","","10.1039/c0cc03506h","","","","","","","","","","","","","","","","","","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105874","12.1252","0.001","21.996","0.002","12.8415","0.001","90","","117.955","0.01","90","","3025.3","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H52 Eu F12 N O8 -","- C64 H52 Eu F12 N O8 -","- C128 H104 Eu2 F24 N2 O16 -","2","1","","Laura Maggini; Hassan Traboulsi; K.Yoosaf; John Mohanraj; Johan Wouters; Oksana Pietraszkiewicz; Marek Pietraszkiewicz; Nicola Armaroli; Davide Bonifazi","Electrostatically-driven assembly of MWCNTs with a europium complex","Chem.Commun.","2011","47","","1625","","10.1039/c0cc02874f","","","0.71073","MoKα","","0.2155","0.0903","","","0.2174","0.25","","","","","","0.818","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105875","10.664","0.004","12.144","0.004","14.023","0.005","90","","103.547","0.004","90","","1765.5","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H52 Cl2 O4 -","- C42 H52 Cl2 O4 -","- C84 H104 Cl4 O8 -","2","1","","Haruo Aikawa; Yusuke Takahira; Masahiko Yamaguchi","Synthesis of Chiral 1,8-di(1-adamantyl)naphthalenes Stable at Ambient Temperatures","Chem.Commun.","2011","47","","1479","","10.1039/c0cc03025b","","","0.71073","MoKα","","0.0601","0.0587","","","0.1578","0.1598","","","","","","1.106","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105876","12.8196","0.0004","12.8196","0.0004","16.7042","0.0005","90","","90","","90","","2745.2","0.15","173","2","173","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C32 H38 Br2 O2 -","- C32 H38 Br2 O2 -","- C128 H152 Br8 O8 -","4","0.5","","Haruo Aikawa; Yusuke Takahira; Masahiko Yamaguchi","Synthesis of Chiral 1,8-di(1-adamantyl)naphthalenes Stable at Ambient Temperatures","Chem.Commun.","2011","47","","1479","","10.1039/c0cc03025b","","","0.71075","MoKα","","0.0611","0.0458","","","0.1037","0.1275","","","","","","1.215","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105877","9.535","0.005","22.01","0.005","15.523","0.005","90","0.005","95.316","0.005","90","0.005","3244","2","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Cl N Ni P2 S -","- C37 H30 Cl N Ni P2 S -","- C148 H120 Cl4 N4 Ni4 P8 S4 -","4","1","","Ning Liu; Li Wang; Zhong-Xia Wang","Room-temperature nickel-catalysed cross-couplings of aryl chlorides with arylzincs through a radical pathway","Chemical Communications","2011","47","5","1598","1600","10.1039/c0cc03064c","","","1.54184","CuKα","","0.0608","0.0492","","","0.1216","0.1276","","","","","","0.999","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105878","8.646","0.0008","13.9854","0.0013","18.4584","0.0017","89.764","0.001","84.323","0.001","74.264","0.001","2137.2","0.3","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H68 Ag2 F12 N8 O8 P2 -","- C88 H68 Ag2 F12 N8 O8 P2 -","- C88 H68 Ag2 F12 N8 O8 P2 -","1","0.5","","Yabing He; Zheng Bian; Chuanqing Kang; Lianxun Gao","Self-discriminating and hierarchical assembly of racemic binaphthyl-bisbipyridines and silver ions: from metallocycles to gel nanofibers","Chem.Commun.","2011","47","","1589","","10.1039/c0cc03192e","","","0.71073","MoKα","","0.0882","0.0693","","","0.2194","0.2372","","","","","","0.964","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105879","21.4815","0.0013","12.1504","0.0007","13.4906","0.0008","90","","99.22","0.001","90","","3475.7","0.4","185","2","185","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 N4 O4 -","- C44 H34 N4 O4 -","- C176 H136 N16 O16 -","4","1","","Yabing He; Zheng Bian; Chuanqing Kang; Lianxun Gao","Self-discriminating and hierarchical assembly of racemic binaphthyl-bisbipyridines and silver ions: from metallocycles to gel nanofibers","Chem.Commun.","2011","47","","1589","","10.1039/c0cc03192e","","","0.71073","MoKα","","0.0987","0.0458","","","0.0928","0.1201","","","","","","0.993","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105880","8.7404","0.0012","8.9622","0.0012","9.217","0.0012","91.509","0.002","91.58","0.002","112.259","0.002","667.41","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H10 F4 N2 -","- C17 H10 F4 N2 -","- C34 H20 F8 N4 -","2","1","","Jiangtao Zhu; Haibo Xie,; Zixian Chen; Shan Li; Yongming Wu","Synthesis of 6-trifluoromethylindolo[1,2-c]quinazolines and related heterocycles using N-(2-iodophenyl)trifluoroacetimidoyl chlorides as starting material via C–H bond functionalization","Chem.Commun.","2011","47","","1512","","10.1039/c0cc03197f","","","0.71073","MoKα","","0.0603","0.0502","","","0.1339","0.1414","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105881","10.308","0.002","7.6365","0.0016","42.549","0.009","90","","90","","90","","3349.3","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H13 F3 N2 -","- C22 H13 F3 N2 -","- C176 H104 F24 N16 -","8","1","","Jiangtao Zhu; Haibo Xie,; Zixian Chen; Shan Li; Yongming Wu","Synthesis of 6-trifluoromethylindolo[1,2-c]quinazolines and related heterocycles using N-(2-iodophenyl)trifluoroacetimidoyl chlorides as starting material via C–H bond functionalization","Chem.Commun.","2011","47","","1512","","10.1039/c0cc03197f","","","0.71073","MoKα","","0.1215","0.0684","","","0.1563","0.1698","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105882","15.031","0.002","21.469","0.003","20.325","0.003","90","","102.251","0.002","90","","6409.5","1.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H94 Au Cl3 F6 O P5 Rh -","- C52 H94 Au Cl3 F6 O P5 Rh -","- C208 H376 Au4 Cl12 F24 O4 P20 Rh4 -","4","1","","Thomas S. Teets; Markus P. Neumann; Daniel G. Nocera","Heterobimetallic Rhodium-Gold Halide and Hydride Complexes","Chem.Commun.","2011","47","","1485","","10.1039/c0cc03261a","","","0.71073","MoKα","","0.0401","0.0329","","","0.093","0.0978","","","","","","1.071","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105883","15.0137","0.0012","21.2486","0.0017","20.3833","0.0016","90","","102.577","0.001","90","","6346.6","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H102 Au Br F6 O2 P5 Rh -","- C55 H102 Au Br F6 O2 P5 Rh -","- C220 H408 Au4 Br4 F24 O8 P20 Rh4 -","4","1","","Thomas S. Teets; Markus P. Neumann; Daniel G. Nocera","Heterobimetallic Rhodium-Gold Halide and Hydride Complexes","Chem.Commun.","2011","47","","1485","","10.1039/c0cc03261a","","","0.71073","MoKα","","0.039","0.0279","","","0.0597","0.064","","","","","","1.034","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105884","10.4553","0.0011","19.2177","0.0019","26.395","0.003","90","","90","","90","","5303.5","1","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C53 H46 Au Cl3 F3 O4 P4 Rh S -","- C53 H46 Au Cl3 F3 O4 P4 Rh S -","- C212 H184 Au4 Cl12 F12 O16 P16 Rh4 S4 -","4","1","","Thomas S. Teets; Markus P. Neumann; Daniel G. Nocera","Heterobimetallic Rhodium-Gold Halide and Hydride Complexes","Chem.Commun.","2011","47","","1485","","10.1039/c0cc03261a","","","0.71073","MoKα","","0.0287","0.0258","","","0.0583","0.0591","","","","","","1.041","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105885","19.5635","0.0017","10.8423","0.001","28.356","0.003","90","","100.659","0.002","90","","5910.9","1","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Au Br Cl4 F3 O4 P4 Rh S -","- C54 H48 Au Br Cl4 F3 O4 P4 Rh S -","- C216 H192 Au4 Br4 Cl16 F12 O16 P16 Rh4 S4 -","4","1","","Thomas S. Teets; Markus P. Neumann; Daniel G. Nocera","Heterobimetallic Rhodium-Gold Halide and Hydride Complexes","Chem.Commun.","2011","47","","1485","","10.1039/c0cc03261a","","","0.71073","MoKα","","0.0698","0.0572","","","0.1599","0.1681","","","","","","1.074","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105886","14.605","0.0013","20.5013","0.0017","20.6567","0.0018","90","","95.374","0.002","90","","6157.9","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Au Cl5 F6 O P5 Rh -","- C52 H94 Au Cl5 F6 O P5 Rh -","- C208 H376 Au4 Cl20 F24 O4 P20 Rh4 -","4","1","","Thomas S. Teets; Markus P. Neumann; Daniel G. Nocera","Heterobimetallic Rhodium-Gold Halide and Hydride Complexes","Chem.Commun.","2011","47","","1485","","10.1039/c0cc03261a","","","0.71073","MoKα","","0.0552","0.0377","","","0.0814","0.0899","","","","","","1.06","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105887","14.6332","0.0013","20.6673","0.0018","20.6771","0.0018","90","","95.422","0.002","90","","6225.4","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Au Br3 Cl2 F6 O P5 Rh -","- C52 H94 Au Br3 Cl2 F6 O P5 Rh -","- C208 H376 Au4 Br12 Cl8 F24 O4 P20 Rh4 -","4","1","","Thomas S. Teets; Markus P. Neumann; Daniel G. Nocera","Heterobimetallic Rhodium-Gold Halide and Hydride Complexes","Chem.Commun.","2011","47","","1485","","10.1039/c0cc03261a","","","0.71073","MoKα","","0.0461","0.0335","","","0.0772","0.0829","","","","","","1.041","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105888","13.5672","0.0015","14.0811","0.0015","19.974","0.002","76.123","0.002","82.666","0.002","66.756","0.002","3401.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H108 Au F6 O P5 Rh -","- C66 H108 Au F6 O P5 Rh -","- C132 H216 Au2 F12 O2 P10 Rh2 -","2","1","","Thomas S. Teets; Markus P. Neumann; Daniel G. Nocera","Heterobimetallic Rhodium-Gold Halide and Hydride Complexes","Chem.Commun.","2011","47","","1485","","10.1039/c0cc03261a","","","0.71073","MoKα","","0.0394","0.0325","","","0.0698","0.0723","","","","","","1.117","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105889","18.4456","0.0003","18.4456","0.0003","39.5369","0.0007","90","","90","","120","","11649.8","0.3","95","2","95","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","UMCM-150N2","","","- C26 H16 Cu3 N4 O15 -","- C26 H10 Cu3 N4 O15 -","- C156 H60 Cu18 N24 O90 -","6","0.25","","Tae-Hong Park; Katie A. Cychosz; Antek G. Wong-Foy; Anne Dailly; Adam J. Matzger","Gas and Liquid Phase Adsorption in Isostructural Cu3[biaryltricarboxylate]2 Microporous Coordination Polymers","Chem.Commun.","2011","47","","1452","","10.1039/c0cc03482g","","","1.54187","CuKα","","0.1145","0.0786","","","0.2528","0.2868","","","","","","0.99","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105890","18.2056","0.0003","18.2056","0.0003","40.6655","0.0007","90","","90","","120","","11672.6","0.3","95","2","95","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","UMCM-150N1","","","- C28 H16 Cu3 N2 O14 -","- C28 H12 Cu3 N2 O14 -","- C168 H72 Cu18 N12 O84 -","6","0.25","","Tae-Hong Park; Katie A. Cychosz; Antek G. Wong-Foy; Anne Dailly; Adam J. Matzger","Gas and Liquid Phase Adsorption in Isostructural Cu3[biaryltricarboxylate]2 Microporous Coordination Polymers","Chem.Commun.","2011","47","","1452","","10.1039/c0cc03482g","","","1.54187","CuKα","","0.0743","0.0615","","","0.202","0.2108","","","","","","1.101","","","","has coordinates,has disorder","180162","2020-10-21","18:00:00",""
"7105891","20.743","0.004","20.688","0.004","21.045","0.003","70.59","0.02","70.86","0.02","66.84","0.03","7626","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C261 H161 Cl11 N36 O8 Ru4 Zn4 -","- C261 H161 Cl11 N36 O8 Ru4 Zn4 -","- C261 H161 Cl11 N36 O8 Ru4 Zn4 -","1","0.5","","Elisabetta Iengo; Teresa Gatti; Ennio Zangrando; Maria Teresa Indelli; Franco Scandola; Enzo Alessio","Concerted motions in supramolecular systems: metal-mediated assemblies of porphyrins that behave like nanometric step-machines","Chem.Commun.","2011","47","","1616","","10.1039/c0cc03513k","","","1","synchrotron","","0.0733","0.067","","","0.192","0.2035","","","","","","1.052","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105892","15.7752","0.0006","13.5842","0.0005","17.3986","0.0007","90","","102.141","0.003","90","","3645","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 F6 N O10 P -","- C35 H46 F6 N O10 P -","- C140 H184 F24 N4 O40 P4 -","4","1","","Sanjeev K. Dey; Florian Beuerle; Mark A. Olson; J. Fraser Stoddart","Arranging pseudorotaxanes octahedrally around [60]fullerene","Chem.Commun.","2011","47","","1425","","10.1039/c0cc03963b","","","1.54178","CuKα","","0.0502","0.0378","","","0.0948","0.1019","","","","","","1.034","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105893","13.349","0.009","20.869","0.014","27.148","0.018","110.197","0.008","96.216","0.01","91.607","0.012","7039","8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H33 N S2 W -","- C105 H33 N S2 W -","- C420 H132 N4 S8 W4 -","4","2","","Wen-Yann Yeh","C60-induced alkyne-alkyne coupling and alkyne scission reactions of tungsten tris(diphenylacetylene) complex","Chem.Commun.","2011","47","","1506","","10.1039/c0cc04034g","","","0.71073","MoKα","","0.2403","0.1044","","","0.2242","0.2685","","","","","","0.889","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105894","14.4291","0.0011","19.7374","0.0015","23.943","0.0018","103.749","0.002","90.42","0.002","104.503","0.001","6396.1","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C209 H66 N2 S2 W2 -","- C209 H66 N2 S2 W2 -","- C418 H132 N4 S4 W4 -","2","1","","Wen-Yann Yeh","C60-induced alkyne-alkyne coupling and alkyne scission reactions of tungsten tris(diphenylacetylene) complex","Chem.Commun.","2011","47","","1506","","10.1039/c0cc04034g","","","0.71073","MoKα","","0.1042","0.0624","","","0.1615","0.1859","","","","","","0.726","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105895","7.2455","0.0005","6.4925","0.0004","11.1739","0.0007","90","","102.217","0.001","90","","513.73","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O -","- C12 H15 N O -","- C24 H30 N2 O2 -","2","1","","Junjia Liu; Stephen D. Lotesta; Erik J. Sorensen","A Concise Synthesis of the Molecular Framework of Pleuromutilin","Chem.Commun.","2011","47","","1500","","10.1039/c0cc04077k","","","0.71073","MoKα","","0.0402","0.0389","","","0.0954","0.0968","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105896","8.5755","0.001","11.3095","0.0013","33.73","0.004","90","","94.856","0.003","90","","3259.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H43 Cl O6 -","- C38.5 H43 Cl O6 -","- C154 H172 Cl4 O24 -","4","1","","Junjia Liu; Stephen D. Lotesta; Erik J. Sorensen","A Concise Synthesis of the Molecular Framework of Pleuromutilin","Chem.Commun.","2011","47","","1500","","10.1039/c0cc04077k","","","0.71073","MoKα","","0.0987","0.0727","","","0.1597","0.1709","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105897","10.1603","0.0007","7.3231","0.0005","15.872","0.0006","90","","90","","90","","1180.95","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Isonicotinamide","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","1","","Jinjing Li; Susan A. Bourne; Mino R. Caira","New polymorphs of the cocrystal formers isonicotinamide and nicotinamide","Chem.Commun.","2011","47","","1530","","10.1039/c0cc04117c","","","0.71073","MoKα","","0.0699","0.0453","","","0.096","0.1086","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105898","15.0634","0.0005","10.6976","0.0004","15.2067","0.0005","90","","102.188","0.002","90","","2395.21","0.14","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","nicotinamide","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C96 H96 N32 O16 -","16","4","","Jinjing Li; Susan A. Bourne; Mino R. Caira","New polymorphs of the cocrystal formers isonicotinamide and nicotinamide","Chem.Commun.","2011","47","","1530","","10.1039/c0cc04117c","","","0.71073","MoKα","","0.0845","0.0499","","","0.1004","0.1241","","","","","","1.101","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105899","10.5001","0.0012","10.6998","0.0011","24.381","0.003","81.545","0.002","83.868","0.002","64.481","0.002","2442.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C120 H108 N4 O16 -","4","2","","Xiu-Chun Zhang; Shu-Hua Cao; Yin Wei; Min Shi","Phosphine-catalyzed Highly Diastereoselective [3+2] Cyclization of Isatin Derived Electron-deficient Alkenes with -Allenic Esters","Chem.Commun.","2011","47","","1548","","10.1039/c0cc04289g","","","0.71073","MoKα","","0.1437","0.0598","","","0.1252","0.1495","","","","","","0.842","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105900","7.5777","0.0009","12.4273","0.0015","14.6322","0.0018","81.787","0.002","77.39","0.002","80.671","0.002","1318.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N O4 -","- C33 H29 N O4 -","- C66 H58 N2 O8 -","2","1","","Xiu-Chun Zhang; Shu-Hua Cao; Yin Wei; Min Shi","Phosphine-catalyzed Highly Diastereoselective [3+2] Cyclization of Isatin Derived Electron-deficient Alkenes with -Allenic Esters","Chem.Commun.","2011","47","","1548","","10.1039/c0cc04289g","","","0.71073","MoKα","","0.078","0.0591","","","0.1536","0.1672","","","","","","0.96","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105901","8.265","0.0017","13.415","0.003","16.413","0.003","90","","92.032","0.004","90","","1818.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Br N O2 -","- C23 H16 Br N O2 -","- C92 H64 Br4 N4 O8 -","4","1","","Xiu-Chun Zhang; Shu-Hua Cao; Yin Wei; Min Shi","Phosphine-catalyzed Highly Diastereoselective [3+2] Cyclization of Isatin Derived Electron-deficient Alkenes with -Allenic Esters","Chem.Commun.","2011","47","","1548","","10.1039/c0cc04289g","","","0.71073","MoKα","","0.0539","0.0397","","","0.0954","0.0994","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105902","18.2314","0.0008","7.6297","0.0003","18.9377","0.0008","90","","112.745","0.001","90","","2429.38","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N2 O2 -","- C20 H17.6 Br0.8 N1.6 O4 -","- C100 H88 Br4 N8 O20 -","5","2.5","","Ming-Qing Hua; Lian Wang; Han-Feng Cui; Jing Nie; Xiao-Ling Zhang; Jun-An Ma","A Powerful Synergistic Effect for Highly Efficient Diastereo- and Enantioselective Phase-Transfer Catalyzed Conjugate Additions","Chem.Commun.","2011","47","","1631","","10.1039/c0cc04321d","","","0.71073","MoKα","","0.0742","0.0539","","","0.167","0.1829","","","","","","1.083","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105903","8.2716","0.0008","23.868","0.002","11.4379","0.0011","90","","93.401","0.002","90","","2254.2","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 O2 Ru -","- C28 H30 O2 Ru -","- C112 H120 O8 Ru4 -","4","1","","Ken Yamashita; Hisao Nishiyama","Activation of a water molecule under mild conditions by ruthenacyclopentatriene: mechanism of hydrative cyclization of diynes","Chem.Commun.","2011","47","","1556","","10.1039/c0cc04345a","","","0.71073","MoKα","","0.0657","0.0554","","","0.1451","0.1514","","","","","","1.106","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105904","5.8194","0.0003","18.0195","0.0008","7.6388","0.0003","90","","100.028","0.002","90","","788.79","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C40 H36 O4 -","2","0.5","","Noelia Fuentes; Luis Alvarez de Cienfuegos; Andres Parra; Duane Choquesillo-Lazarte; Juan Manuel Garcia-Ruiz; M. Luisa Marcos; Elena Bunuel; Maria Ribagorda; M Carmen Carreno; Diego J. Cardenas; Juan M. Cuerva","on/off Electrochemical switches based on quinone-bisketals","Chem.Commun.","2011","47","","1586","","10.1039/c0cc04388e","","","1.54178","CuKα","","0.0499","0.0479","","","0.1258","0.128","","","","","","1.029","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105905","6.4349","0.0007","17.3703","0.0019","8.4716","0.0009","90","","110.133","0.003","90","","889.06","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C44 H48 O8 -","2","0.5","","Noelia Fuentes; Luis Alvarez de Cienfuegos; Andres Parra; Duane Choquesillo-Lazarte; Juan Manuel Garcia-Ruiz; M. Luisa Marcos; Elena Bunuel; Maria Ribagorda; M Carmen Carreno; Diego J. Cardenas; Juan M. Cuerva","on/off Electrochemical switches based on quinone-bisketals","Chem.Commun.","2011","47","","1586","","10.1039/c0cc04388e","","","1.54178","CuKα","","0.0407","0.0404","","","0.0983","0.0986","","","","","","1.066","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105906","10.786","0.002","12.338","0.0018","16.619","0.003","87.87","0.02","80.36","0.03","86.62","0.03","2175.8","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","2","","Noelia Fuentes; Luis Alvarez de Cienfuegos; Andres Parra; Duane Choquesillo-Lazarte; Juan Manuel Garcia-Ruiz; M. Luisa Marcos; Elena Bunuel; Maria Ribagorda; M Carmen Carreno; Diego J. Cardenas; Juan M. Cuerva","on/off Electrochemical switches based on quinone-bisketals","Chem.Commun.","2011","47","","1586","","10.1039/c0cc04388e","","x-ray","0.7513","","","0.054","0.0506","","","0.1421","0.1462","","","","","","1.011","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105907","10.222","0.002","7.659","0.0015","22.493","0.005","90","","102.11","0.03","90","","1721.8","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Noelia Fuentes; Luis Alvarez de Cienfuegos; Andres Parra; Duane Choquesillo-Lazarte; Juan Manuel Garcia-Ruiz; M. Luisa Marcos; Elena Bunuel; Maria Ribagorda; M Carmen Carreno; Diego J. Cardenas; Juan M. Cuerva","on/off Electrochemical switches based on quinone-bisketals","Chem.Commun.","2011","47","","1586","","10.1039/c0cc04388e","","x-ray","0.7513","","","0.0752","0.0748","","","0.2534","0.2537","","","","","","1.152","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105908","6.9878","0.0007","8.8208","0.0009","10.2905","0.0011","93.73","0.005","109.11","0.006","112.219","0.005","541.74","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 F6 O2 S2 -","- C22 H16 F6 O2 S2 -","- C22 H16 F6 O2 S2 -","1","0.5","","Noelia Fuentes; Luis Alvarez de Cienfuegos; Andres Parra; Duane Choquesillo-Lazarte; Juan Manuel Garcia-Ruiz; M. Luisa Marcos; Elena Bunuel; Maria Ribagorda; M Carmen Carreno; Diego J. Cardenas; Juan M. Cuerva","on/off Electrochemical switches based on quinone-bisketals","Chem.Commun.","2011","47","","1586","","10.1039/c0cc04388e","","","1.54178","CuKα","","0.0626","0.0595","","","0.1647","0.1694","","","","","","1.094","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105909","13.639","0.003","6.376","0.0013","27.642","0.006","90","","94.69","0.03","90","","2395.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 F6 O4 S2 -","- C24 H22 F6 O4 S2 -","- C96 H88 F24 O16 S8 -","4","1","","Noelia Fuentes; Luis Alvarez de Cienfuegos; Andres Parra; Duane Choquesillo-Lazarte; Juan Manuel Garcia-Ruiz; M. Luisa Marcos; Elena Bunuel; Maria Ribagorda; M Carmen Carreno; Diego J. Cardenas; Juan M. Cuerva","on/off Electrochemical switches based on quinone-bisketals","Chem.Commun.","2011","47","","1586","","10.1039/c0cc04388e","","x-ray","0.7513","","","0.0529","0.0527","","","0.1473","0.1474","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105910","54.274","0.006","54.274","0.006","54.274","0.006","90","","90","","90","","159873","3","173","2","173","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C312 H264 Ag34 Cl4 O36 P24 -","- C312 H264 Ag34 Cl4 O36 P24 -","- C2496 H2112 Ag272 Cl32 O288 P192 -","8","0.0833333","","Di Sun; Geng-Geng Luo; Na Zhang; Rong-Bin Huang; Lan-Sun Zheng","Simultaneous self-Cassembly of a cage-Clike silver(I) complex encapsulating an Ag6 neutral cluster core and carbon dioxide fixation","Chem.Commun.","2011","47","","1461","","10.1039/c0cc04391e","","","0.71073","MoKα","","0.1782","0.0742","","","0.2008","0.2328","","","","","","0.799","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105911","12.67","0.003","16.694","0.003","30.99","0.006","90","","91.75","0.03","90","","6552","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H120 Ag8 Cl4 N12 O16 P8 -","- C124 H120 Ag8 Cl4 N12 O16 P8 -","- C248 H240 Ag16 Cl8 N24 O32 P16 -","2","0.5","","Di Sun; Geng-Geng Luo; Na Zhang; Rong-Bin Huang; Lan-Sun Zheng","Simultaneous self-Cassembly of a cage-Clike silver(I) complex encapsulating an Ag6 neutral cluster core and carbon dioxide fixation","Chem.Commun.","2011","47","","1461","","10.1039/c0cc04391e","","","0.71073","MoKα","","0.0617","0.0423","","","0.1178","0.1348","","","","","","1.065","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105912","11.453","0.002","15.193","0.003","23.416","0.005","90","","97.14","0.03","90","","4042.9","1.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H78 Ag4 Cl2 N2 O14 P6 -","- C80 H78 Ag4 Cl2 N2 O14 P6 -","- C160 H156 Ag8 Cl4 N4 O28 P12 -","2","0.5","","Di Sun; Geng-Geng Luo; Na Zhang; Rong-Bin Huang; Lan-Sun Zheng","Simultaneous self-Cassembly of a cage-Clike silver(I) complex encapsulating an Ag6 neutral cluster core and carbon dioxide fixation","Chem.Commun.","2011","47","","1461","","10.1039/c0cc04391e","","","0.71073","MoKα","","0.1325","0.0837","","","0.2307","0.2748","","","","","","1.144","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105913","10.731","0.00019","21.0995","0.0004","11.9876","0.0003","90","","91.2195","0.0011","90","","2713.6","0.1","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Br N3 O2 -","- C33 H26 Br N3 O2 -","- C132 H104 Br4 N12 O8 -","4","2","","Seiji Shirakawa; Kun Liu; Hironobu Ito; Keiji Maruoka","Catalytic asymmetric synthesis of 1,1-disubstituted tetrahydro-b-carbolines by phase-transfer catalyzed alkylations","Chem.Commun.","2011","47","","1515","","10.1039/c0cc04447d","","","1.54187","CuKα","","","0.0686","","","","0.2107","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105914","12.5734","0.0007","13.2559","0.0008","20.3034","0.0012","74.747","0.002","73.16","0.002","64.054","0.002","2875.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Mn2PhosphinateTBC4","","","- C115 H162 Mn4 N4 O20 P2 -","- C115 H153 Mn4 N4 O20 P2 -","- C115 H153 Mn4 N4 O20 P2 -","1","0.5","","StephanieTaylor; Ruaraidh McIntosh; Christine Beavers; Simon Teat; Stergios Piligkos; Scott Dalgarno; Euan Brechin","Calix[4]arene supported clusters: A dimer of [MnIII2MnII2] dimers","Chem.Commun.","2011","47","","1440","","10.1039/c0cc04466k","","","0.7749","synchrotron","","0.1149","0.0756","","","0.1962","0.2247","","","","","","1.043","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105915","7.228","0.0006","10.2719","0.0008","15.1769","0.0011","99.413","0.005","99.406","0.004","103.506","0.004","1056.75","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O6 -","- C23 H29 N O6 -","- C46 H58 N2 O12 -","2","1","","Zhi-Hua Chen; Yong-Qiang Zhang; Zhi-Min Chen; Yong Qiang Tu; Fu-Min Zhang","Total Synthesis of (±)-Maistemonine and (±)-Stemonamide","Chem.Commun.","2011","47","","1836","","10.1039/c0cc02612c","","","0.71073","MoKα","","0.0904","0.0511","","","0.1141","0.1367","","","","","","1.004","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105916","22.9","0.03","9.06","0.011","18.57","0.02","90","","90.78","0.04","90","","3852","8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C160 H184 N8 O40 -","8","2","","Zhi-Hua Chen; Yong-Qiang Zhang; Zhi-Min Chen; Yong Qiang Tu; Fu-Min Zhang","Total Synthesis of (±)-Maistemonine and (±)-Stemonamide","Chem.Commun.","2011","47","","1836","","10.1039/c0cc02612c","","","0.71073","MoKα","","0.0514","0.0394","","","0.0937","0.102","","","","","","1.022","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105917","3.8929","0.0013","12.593","0.004","19.667","0.006","90","","94.034","0.005","90","","961.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cyclised guanine organomercury adduct","","","- C8 H6 Cl Hg N5 O -","- C8 H6 Cl Hg N5 O -","- C32 H24 Cl4 Hg4 N20 O4 -","4","1","","N. Nagapradeep; Sandeep Verma","Characterization of an unprecedented organomercury adduct via Hg(II)-mediated cyclization of N9-propargylguanine","Chem.Commun.","2011","47","","1755","","10.1039/c0cc03123b","","","0.71073","MoKα","","0.0673","0.0408","","","0.0898","0.1219","","","","","","1.115","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105918","4.011","0.002","11.194","0.006","19.934","0.01","90","","92.72","0.02","90","","894","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9-propargylguanine","","","- C8 H7 N5 O -","- C8 H7 N5 O -","- C32 H28 N20 O4 -","4","1","","N. Nagapradeep; Sandeep Verma","Characterization of an unprecedented organomercury adduct via Hg(II)-mediated cyclization of N9-propargylguanine","Chem.Commun.","2011","47","","1755","","10.1039/c0cc03123b","","","0.71073","MoKα","","0.0942","0.0769","","","0.1984","0.2243","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105919","7.481","0.0018","13.111","0.003","13.431","0.003","72.577","0.004","84.086","0.005","76.667","0.004","1222.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","7-protonated 9-propargylguanine","","","- C8 H10 Cl N5 O6 -","- C8 H10 Cl N5 O6 -","- C32 H40 Cl4 N20 O24 -","4","2","","N. Nagapradeep; Sandeep Verma","Characterization of an unprecedented organomercury adduct via Hg(II)-mediated cyclization of N9-propargylguanine","Chem.Commun.","2011","47","","1755","","10.1039/c0cc03123b","","","0.71073","MoKα","","0.0818","0.0597","","","0.1608","0.2393","","","","","","1.148","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105920","6.6101","0.0006","8.0655","0.0008","9.7339","0.001","104.044","0.009","109.627","0.009","101.306","0.008","451.78","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- H4 Mn7 O24 P6 -","- H4 Mn7 O24 P6 -","- H4 Mn7 O24 P6 -","1","0.5","","Bo Li; Xiaoying Zhang; Jumei Tian; Jingping Zhang","Two-Step Relaxation in the 3D Spin-Canted Manganese Phosphate with High P-O-Mn Connectivity","Chem.Commun.","2011","47","","1737","","10.1039/c0cc03278f","","","0.71073","MoKα","","0.0369","0.0254","","","0.0498","0.0509","","","","","","0.854","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105921","11.633","0.004","13.033","0.005","17.361","0.006","90","","131.78","0.05","90","","1963","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Ge4 O4 Te6 -","- C24 H44 Ge4 O4 Te6 -","- C48 H88 Ge8 O8 Te12 -","2","0.5","","Heimann, Samuel; Holynska, Malgorzata; Dehnen, Stefanie","In situ Ge‒Ge bond formation under ambient conditions: synthesis, characterization and reactivity of organo-functionalized telluridogermanate complexes","Chemical Communications (Cambridge, United Kingdom)","2011","47","6","1881","1883","10.1039/c0cc03727c","","","0.71073","MoKα","","0.136","0.1115","","","0.2688","0.2938","","","","","","1.091","","","","has coordinates","210888","2020-10-21","18:00:00",""
"7105922","10.1","0.003","50.56","0.01","12.418","0.004","90","","90","","90","","6341","3","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C12 H20.64 Ge4 O8.3 Te5 -","- C12 H20 Ge4 O8.315 Te5 -","- C96 H160 Ge32 O66.52 Te40 -","8","0.5","","Heimann, Samuel; Holynska, Malgorzata; Dehnen, Stefanie","In situ Ge‒Ge bond formation under ambient conditions: synthesis, characterization and reactivity of organo-functionalized telluridogermanate complexes","Chemical Communications (Cambridge, United Kingdom)","2011","47","6","1881","1883","10.1039/c0cc03727c","","","0.71073","MoKα","","0.1265","0.0776","","","0.1565","0.1786","","","","","","1.005","","","","has coordinates,has disorder","210888","2020-10-21","18:00:00",""
"7105923","11.901","0.004","23.406","0.006","19.298","0.005","90","","90.57","0.04","90","","5375","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Ge4 O18 Te5 -","- C28 H36 Ge4 O18 Te5 -","- C112 H144 Ge16 O72 Te20 -","4","1","","Heimann, Samuel; Holynska, Malgorzata; Dehnen, Stefanie","In situ Ge‒Ge bond formation under ambient conditions: synthesis, characterization and reactivity of organo-functionalized telluridogermanate complexes","Chemical Communications (Cambridge, United Kingdom)","2011","47","6","1881","1883","10.1039/c0cc03727c","","","0.71073","MoKα","","0.2188","0.0603","","","0.0921","0.1418","","","","","","0.643","","","","has coordinates","210888","2020-10-21","18:00:00",""
"7105924","31.866","0.007","15.441","0.004","12.271","0.004","90","","105.94","0.03","90","","5806","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H20 Ge N5 Te2 -","- C6 H17.75 Ge N5 Te2 -","- C96 H284 Ge16 N80 Te32 -","16","4","","Heimann, Samuel; Holynska, Malgorzata; Dehnen, Stefanie","In situ Ge‒Ge bond formation under ambient conditions: synthesis, characterization and reactivity of organo-functionalized telluridogermanate complexes","Chemical Communications (Cambridge, United Kingdom)","2011","47","6","1881","1883","10.1039/c0cc03727c","","","0.71073","MoKα","","0.0376","0.0329","","","0.0857","0.0911","","","","","","1.056","","","","has coordinates","210888","2020-10-21","18:00:00",""
"7105925","10.5035","0.0012","8.0361","0.0009","12.2743","0.0014","90","","98.375","0.002","90","","1025","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Jing An; Ning-Jie Chang; Li-Dong Song; Yu-Qin Jin; Ying Ma; Jia-Rong Chen; Wen-Jing Xiao","An Efficient and General Synthesis of Oxazino[4,3-a]indoles by A Cascade Addition-Cyclization Reaction of (1H-Indol-2-yl)methanols and Vinyl Sulfonium Salts","Chem.Commun.","2011","47","","1869","","10.1039/c0cc03823g","","","0.71073","MoKα","","0.0679","0.0489","","","0.1371","0.1458","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105926","5.1624","0.0002","17.4656","0.0006","18.1124","0.0006","90","","90","","90","","1633.09","0.1","173.1","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 I N O2 S -","- C16 H16 I N O2 S -","- C64 H64 I4 N4 O8 S4 -","4","1","","Satoshi Minakata; Junpei Hayakawa","Iodoamidation of olefins with chloramine salts and iodine in aqueous media","Chem.Commun.","2011","47","","1905","","10.1039/c0cc03855e","","","1.54187","CuKα","","","0.0759","","","","0.214","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105927","12.7233","0.0011","13.828","0.0013","14.6781","0.0013","90","","90","","90","","2582.4","0.4","223.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H46 Ni P2 -","- C25 H46 Ni P2 -","- C100 H184 Ni4 P8 -","4","1","","Timothy Schmeier; Nilay Hazari; Christopher Incarvito; Jevgenij Raskatov","Exploring the Reactions of CO2 with PCP Supported Nickel Complexes","Chem.Commun.","2011","47","","1824","","10.1039/c0cc03898a","","","0.71075","MoKα","","","0.0522","","","","0.1224","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105928","12.72","0.003","16.404","0.003","16.487","0.003","118.51","0.008","109.283","0.008","91.067","0.006","2788.2","1","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H48 Ni P2 -","- C27 H48 Ni P2 -","- C108 H192 Ni4 P8 -","4","2","","Timothy Schmeier; Nilay Hazari; Christopher Incarvito; Jevgenij Raskatov","Exploring the Reactions of CO2 with PCP Supported Nickel Complexes","Chem.Commun.","2011","47","","1824","","10.1039/c0cc03898a","","","0.71075","MoKα","","","0.0887","","","","0.1598","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105929","15.095","0.0014","15.8432","0.0015","11.6755","0.0011","90","","104.815","0.007","90","","2699.4","0.4","223","","223","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H44 Ni O2 P2 -","- C25 H44 Ni O2 P2 -","- C100 H176 Ni4 O8 P8 -","4","1","","Timothy Schmeier; Nilay Hazari; Christopher Incarvito; Jevgenij Raskatov","Exploring the Reactions of CO2 with PCP Supported Nickel Complexes","Chem.Commun.","2011","47","","1824","","10.1039/c0cc03898a","","","0.71075","MoKα","","","0.0691","","","","0.1238","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105930","10.4907","0.001","13.7587","0.0013","20.313","0.002","90","","99.178","0.007","90","","2894.4","0.5","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Ni O2 P2 -","- C28 H48 Ni O2 P2 -","- C112 H192 Ni4 O8 P8 -","4","1","","Timothy Schmeier; Nilay Hazari; Christopher Incarvito; Jevgenij Raskatov","Exploring the Reactions of CO2 with PCP Supported Nickel Complexes","Chem.Commun.","2011","47","","1824","","10.1039/c0cc03898a","","","0.71075","MoKα","","","0.0812","","","","0.14","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105931","9.4786","0.0004","25.8868","0.0011","16.978","0.0007","90","","112.241","0.002","90","","3856","0.3","115","2","115","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H36 F6 Mg N4 O P2 -","- C43.5 H36 F6 Mg N4 O P2 -","- C174 H144 F24 Mg4 N16 O4 P8 -","4","1","","Charles H. Devillers; Abdou K. D. Dime; Helene Cattey; Dominique Lucas","Electrochemical meso-Functionalization of Magnesium(II) Porphine","Chem.Commun.","2011","47","","1893","","10.1039/c0cc04309e","","","0.71073","MoKα","","0.1367","0.0904","","","0.1549","0.1767","","","","","","1.133","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105932","13.9372","0.0005","14.5888","0.0005","15.0259","0.0006","87.674","0.002","70.698","0.002","74.38","0.002","2773.01","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","bis-(1,4-dioxane)-(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium μ6-chlorido-hexakis-[μ-(4-(1,2,4-triazol-4-yl)-3,5-dimethylpyrazolato]- hexa-μ-hydroxido-hexacopper(II) Solvate with 4 Chloroform and 2 1,4-Dioxane","","- C74 H114 Cl13 Cu6 K N30 O20 -","- C74 H114 Cl13 Cu6 K N30 O20 -","- C74 H114 Cl13 Cu6 K N30 O20 -","1","0.5","","Evgen Govor; Andrey Lysenko; David Quinonero; Eduard Rusanov; Alexander Chernega; Jens Moellmer; Reiner Staudt; Harald Krautscheid; Antonio Frontera; Konstantin Domasevitch","Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework","Chem.Commun.","2011","47","","1764","","10.1039/c0cc04433d","","","0.71073","MoKα","","0.1366","0.0629","","","0.1502","0.1761","","","","","","0.95","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105933","13.9956","0.0008","14.3194","0.0008","14.6356","0.001","88.431","0.003","71.096","0.003","74.869","0.002","2673.4","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","bis-tetrahydrofurane-(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium μ6-chlorido-hexakis-[μ-(4-(1,2,4-triazol-4-yl)-3,5-dimethylpyrazolato]- hexa-μ-hydroxido-hexacopper(II) Solvate with 2 Dichloromethane and 4 Tetrahydrofurane","","- C80 H130 Cl5 Cu6 K N30 O18 -","- C80 H98 Cl5 Cu6 K N30 O18 -","- C80 H98 Cl5 Cu6 K N30 O18 -","1","0.5","","Evgen Govor; Andrey Lysenko; David Quinonero; Eduard Rusanov; Alexander Chernega; Jens Moellmer; Reiner Staudt; Harald Krautscheid; Antonio Frontera; Konstantin Domasevitch","Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework","Chem.Commun.","2011","47","","1764","","10.1039/c0cc04433d","","","0.71073","MoKα","","0.1105","0.0607","","","0.1437","0.1624","","","","","","0.992","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105934","22.6467","0.001","22.6467","0.001","22.6467","0.001","90","","90","","90","","11614.9","0.9","213","2","213","2","","","","","","","","7","P a -3","-P 2ac 2ab","205","","Cadmium(II) Tetrachlorocadmato(II)-hexakis-[μ-(4-(1,2,4-triazol-4-yl)- 3,5-dimethylpyrazolato]-hexa-μ-hydroxido-hexacopper(II) Solvate 13 Ethanol","","- C68 H132 Cd2 Cl4 Cu6 N30 O19 -","- C56.04 H90 Cd2 Cl4 Cu6 N30 O13.02 -","- C224.16 H360 Cd8 Cl16 Cu24 N120 O52.08 -","4","0.166667","","Evgen Govor; Andrey Lysenko; David Quinonero; Eduard Rusanov; Alexander Chernega; Jens Moellmer; Reiner Staudt; Harald Krautscheid; Antonio Frontera; Konstantin Domasevitch","Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework","Chem.Commun.","2011","47","","1764","","10.1039/c0cc04433d","","","0.71073","MoKα","","0.0838","0.0634","","","0.1793","0.1859","","","","","","1.056","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105935","35.204","0.004","35.204","0.004","35.204","0.004","90","","90","","90","","43629","9","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C134 H188 Al4 Br Li17 O14.5 P12 -","- C134.2 H180.36 Al4 Br Li16.99 O14.52 P12 -","- C1073.6 H1442.88 Al32 Br8 Li135.92 O116.16 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.0761","0.0656","","","0.1723","0.1881","","","","","","1.13","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105936","35.133","0.004","35.133","0.004","35.133","0.004","90","","90","","90","","43366","9","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C144 H196 Br Ga4 Li17 O17 P12 -","- C144.06 H191.88 Br Ga4 Li17 O16.96 P12 -","- C1152.48 H1535.04 Br8 Ga32 Li136 O135.68 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.097","0.0671","","","0.1842","0.2235","","","","","","1.09","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105937","35.019","0.004","35.019","0.004","35.019","0.004","90","","90","","90","","42945","8","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C134 H188 Ga4 I0.5 Li16.5 O14.5 P12 -","- C134.2 H184.2 Ga4 I0.5 Li16.48 O15.6 P12 -","- C1073.6 H1473.6 Ga32 I4 Li131.84 O124.8 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.0639","0.0523","","","0.1402","0.1509","","","","","","1.105","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105938","35.11","0.004","35.11","0.004","35.11","0.004","90","","90","","90","","43281","9","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C134 H188 Br In4 Li17 O14.5 P12 -","- C134.2 H184.2 Br In4 Li17.03 O14.52 P12 -","- C1073.6 H1473.6 Br8 In32 Li136.24 O116.16 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.1028","0.0703","","","0.1838","0.2077","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105939","35.312","0.004","35.312","0.004","35.312","0.004","90","","90","","90","","44032","9","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C138.67 H193.33 I0.67 In4 Li16.67 O15.67 P12 -","- C138.34 H183.24 I0.67 In4 Li16.68 O15.56 P12 -","- C1106.72 H1465.92 I5.36 In32 Li133.44 O124.48 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.1001","0.0699","","","0.1864","0.2116","","","","","","1.129","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105940","26.94","0.004","7.3179","0.0011","7.754","0.0012","90","","100.82","0.02","90","","1501.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H24 Co2 N8 O10 -","- C28 H24 Co2 N8 O10 -","- C56 H48 Co4 N16 O20 -","2","0.25","","Xiu-Mei Zhang; Yan-Qin Wang; Kun Wang; En-Qing Gao; Cai-Ming Liu","Metamagnetism and slow magnetic dynamics in an antiferromagnet composed of cobalt(II) chains with mixed azide-carboxylate bridges","Chem.Commun.","2011","47","","1815","","10.1039/c0cc04492j","","","0.71073","MoKα","","0.0474","0.037","","","0.0626","0.0635","","","","","","1.027","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105941","7.6378","0.0002","14.726","0.0003","15.0539","0.0003","88.282","0.001","84.686","0.001","81.312","0.001","1666.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Cl N3 Pt -","- C19 H18 Cl N3 Pt -","- C76 H72 Cl4 N12 Pt4 -","4","2","","Alexander W. Garner; Caleb F. Harris; Dileep A. K. Vezzu; Robert D. Pike; Shouquan Huo","Solvent-Controlled Switch of Selectivity between sp2 and sp3 C-H Bond Activation by Platinum (II)","Chem.Commun.","2011","47","","1902","","10.1039/c0cc04581k","","","1.54178","CuKα","","0.0329","0.0325","","","0.0844","0.0846","","","","","","1.144","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105942","8.1377","0.0002","16.8436","0.0005","24.7285","0.0006","90","","90","","90","","3389.49","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N3 Pt -","- C19 H18 Cl N3 Pt -","- C152 H144 Cl8 N24 Pt8 -","8","1","","Alexander W. Garner; Caleb F. Harris; Dileep A. K. Vezzu; Robert D. Pike; Shouquan Huo","Solvent-Controlled Switch of Selectivity between sp2 and sp3 C-H Bond Activation by Platinum (II)","Chem.Commun.","2011","47","","1902","","10.1039/c0cc04581k","","","1.54178","CuKα","","0.0331","0.0323","","","0.0943","0.0949","","","","","","1.153","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105943","10.743","0.003","8.26","0.003","13.016","0.004","90","","112.417","0.006","90","","1067.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 F3 Fe P2 -","- C23 H27 F3 Fe P2 -","- C46 H54 F6 Fe2 P4 -","2","1","","Jonas Buergler; Antonio Togni","Chiral trifluoromethylphosphines: a new stereoselective synthesis of Josiphos-type ligands containing two stereogenic phosphorus atoms","Chem.Commun.","2011","47","","1896","","10.1039/c0cc04606j","","","0.71073","MoKα","","0.0584","0.043","","","0.0721","0.0761","","","","","","0.861","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105944","11.184","0.003","13.48","0.004","19.194","0.005","90","","90","","90","","2893.7","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 Cl2 F3 Fe P2 Pd -","- C30 H35 Cl2 F3 Fe P2 Pd -","- C120 H140 Cl8 F12 Fe4 P8 Pd4 -","4","1","","Jonas Buergler; Antonio Togni","Chiral trifluoromethylphosphines: a new stereoselective synthesis of Josiphos-type ligands containing two stereogenic phosphorus atoms","Chem.Commun.","2011","47","","1896","","10.1039/c0cc04606j","","","0.71073","MoKα","","0.0825","0.0708","","","0.1286","0.1329","","","","","","1.146","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105945","8.171","0.005","12.998","0.005","14.602","0.005","113.768","0.005","99","0.005","97.294","0.005","1370.5","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(NEt3H)[CoCl(dmgH)2(C5H4N-PO3H)]*0.5MeOH","","","- C19.5 H37 Cl Co N6 O7.5 P -","- C19.5 H37 Cl Co N6 O7.5 P -","- C39 H74 Cl2 Co2 N12 O15 P2 -","2","1","","Fezile Lakadamyali; Erwin Reisner","Photocatalytic H2 Evolution from Neutral Water with a Molecular Cobalt Catalyst on a Dye-sensitised TiO2 Nanoparticle","Chem.Commun.","2011","47","","1695","","10.1039/c0cc04658b","","","0.71069","MoKα","","0.074","0.0499","","","0.1369","0.1452","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105946","18.779","0.0008","18.779","0.0008","35.798","0.003","90","","90","","90","","12624.2","1.3","172","2","172","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C28 H42 Co N4 O2 -","- C28 H42 Co N4 O2 -","- C448 H672 Co16 N64 O32 -","16","1","","Savita K. Sharma; Philip S. May; Matthew B. Jones; Sheri Lense; Kenneth I. Hardcastle; Cora E. MacBeth","Catalytic dioxygen activation by Co(II) complexes employing a coordinatively versatile ligand scaffold","Chem.Commun.","2011","47","","1827","","10.1039/c0cc04671j","","","0.71073","MoKα","","0.0665","0.0506","","","0.1505","0.1573","","","","","","1.063","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105947","12.264","0.01","14.28","0.012","15.642","0.013","101.969","0.01","91.656","0.01","103.82","0.01","2593","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.47 H68.94 Cl2.94 Co N7 O4 -","- C49.47 H68.94 Cl2.94 Co N7 O4 -","- C98.94 H137.88 Cl5.88 Co2 N14 O8 -","2","1","","Savita K. Sharma; Philip S. May; Matthew B. Jones; Sheri Lense; Kenneth I. Hardcastle; Cora E. MacBeth","Catalytic dioxygen activation by Co(II) complexes employing a coordinatively versatile ligand scaffold","Chem.Commun.","2011","47","","1827","","10.1039/c0cc04671j","","","0.71073","MoKα","","0.3335","0.1377","","","0.2424","0.3228","","","","","","1.096","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105948","17.364","0.004","16.539","0.004","19.385","0.005","90","","90","","90","","5567","2","172","2","172","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C56 H86 Co N8 O4 -","- C56 H86 Co N8 O4 -","- C224 H344 Co4 N32 O16 -","4","1","","Savita K. Sharma; Philip S. May; Matthew B. Jones; Sheri Lense; Kenneth I. Hardcastle; Cora E. MacBeth","Catalytic dioxygen activation by Co(II) complexes employing a coordinatively versatile ligand scaffold","Chem.Commun.","2011","47","","1827","","10.1039/c0cc04671j","","","0.71073","MoKα","","0.1796","0.0662","","","0.1229","0.1544","","","","","","1.006","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105949","11.8388","0.0001","17.4493","0.0001","17.8692","0.0002","114.147","0.0004","97.446","0.0004","102.607","0.0004","3186.35","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C62.68 H74.68 Cl3.04 N5 O17 -","- C62.68 H74.68 Cl3.04 N5 O17 -","- C125.36 H149.36 Cl6.08 N10 O34 -","2","1","","L; Laura Hancock; Lydia Gilday; Nathan Kilah; Christopher Serpell; Paul Beer","A New Synthetic Route to Chloride Selective [2]Catenanes","Chem.Commun.","2011","47","","1725","","10.1039/c0cc04683c","","","0.71073","MoKα","","0.0645","0.0512","","0.1345","0.1217","0.1342","","","","","","0.9236","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7105950","9.7482","0.0001","14.2731","0.0002","23.7801","0.0003","74.5452","0.0005","78.3493","0.0005","85.1917","0.0005","3121.77","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H72 F6 N5 O17 P -","- C60 H72 F6 N5 O17 P -","- C120 H144 F12 N10 O34 P2 -","2","1","","L; Laura Hancock; Lydia Gilday; Nathan Kilah; Christopher Serpell; Paul Beer","A New Synthetic Route to Chloride Selective [2]Catenanes","Chem.Commun.","2011","47","","1725","","10.1039/c0cc04683c","","","0.71073","MoKα","","0.0785","0.0501","","0.1321","0.1095","0.1321","","","","","","0.9462","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105951","11.1943","0.0008","11.267","0.0008","13.5411","0.001","72.63","0.001","85.297","0.001","66.5","0.001","1493.47","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O Se -","- C16 H18 N2 O Se -","- C64 H72 N8 O4 Se4 -","4","2","","Javeed Akhtar; Rana Farhat Mehmood; Mohammad Azad Malik; Nasir Iqbal; Paul O'Brien; James Raftery","A Novel single source precursor: [bis(N, N-diethyl-N-naphthoyl-selenoureato)palladium(II)] for palladium selenide thin films and nanoparticles","Chem.Commun.","2011","47","","1899","","10.1039/c0cc03079a","","","0.71073","MoKα","","0.0477","0.0406","","","0.0854","0.0895","","","","","","1.126","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105952","12.2544","0.0003","14.7363","0.0003","15.4417","0.0004","90","","107.644","0.003","90","","2657.35","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23.14 Cd Cl2 N7 O1.07 -","- C27 H21 Cd Cl2 N7 O1.0685 -","- C108 H84 Cd4 Cl8 N28 O4.274 -","4","1","","Hua Wu; Hai-Yan Liu; Ying-Ying Liu; Jin Yang; Bo Liu; Jian-Fang Ma","An unprecedented 2D > 3D metal–organic polyrotaxane framework constructed from cadmium and a flexible star-like ligand","Chem.Commun.","2011","47","","1818","","10.1039/c0cc04724d","","","0.71073","MoKα","","0.0453","0.031","","","0.0808","0.0839","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105953","12.34","0.003","7.211","0.0014","7.39","0.0015","90","","125","0.03","90","","538.7","0.3","295","2","295","2","","","360000","","","","","4","C 1 2/m 1","-C 2y","12","guanidinium nitrate","guanidinium nitrate","","- C H6 N4 O3 -","- C H6 N4 O3 -","- C4 H24 N16 O12 -","4","0.5","","Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo","Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity","Chem.Commun.","2011","47","","2107","","10.1039/c0cc02630a","","","0.71073","MoKα","","0.0606","0.0513","","","0.0795","0.0834","","","","","","1.16","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105954","4.899","0.001","4.917","0.001","10.35","0.002","90","","100.8","0.03","90","","244.9","0.09","295","2","295","2","","","680000","","","","","4","P 1 c 1","P -2yc","7","guanidinium nitrate","guanidinium nitrate","","- C H6 N4 O3 -","- C H6 N4 O3 -","- C2 H12 N8 O6 -","2","1","","Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo","Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity","Chem.Commun.","2011","47","","2107","","10.1039/c0cc02630a","","","0.71073","MoKα","","0.0902","0.0669","","","0.0609","0.0667","","","","","","1.203","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105955","4.895","0.001","4.8916","0.001","10.337","0.002","90","","101.56","0.03","90","","242.49","0.09","295","2","295","2","","","790000","","","","","4","P 1 c 1","P -2yc","7","guanidinium nitrate","guanidinium nitrate","","- C H6 N4 O3 -","- C H6 N4 O3 -","- C2 H12 N8 O6 -","2","1","","Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo","Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity","Chem.Commun.","2011","47","","2107","","10.1039/c0cc02630a","","","0.71073","MoKα","","0.0371","0.0324","","","0.0738","0.0781","","","","","","1.121","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105956","4.867","0.001","4.845","0.001","10.14","0.002","90","","102.91","0.03","90","","233.06","0.09","295","2","295","2","","","1510000","","","","","4","P 1 c 1","P -2yc","7","guanidinium nitrate","guanidinium nitrate","","- C H6 N4 O3 -","- C H6 N4 O3 -","- C2 H12 N8 O6 -","2","1","","Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo","Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity","Chem.Commun.","2011","47","","2107","","10.1039/c0cc02630a","","","0.71073","MoKα","","0.0533","0.0449","","","0.0703","0.0729","","","","","","1.198","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105957","12.477","0.002","17.529","0.003","19.792","0.003","64.145","0.002","78.978","0.002","89.269","0.002","3811.3","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Br2 Li2 O4 -","- C44 H48 Br2 Li2 O4 -","- C176 H192 Br8 Li8 O16 -","4","2","","Daniel Stern; Nils Finkelmeier; Dietmar Stalke","Assessment of the LiX salt-effect in anthracenyl lithiums","Chem.Commun.","2011","47","","2113","","10.1039/c0cc02772c","","","0.71073","MoKα","","0.0452","0.0355","","","0.0953","0.0996","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105958","10.578","0.002","9.1589","0.0019","15.943","0.003","90","","90.795","0.003","90","","1544.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Br2 Li2 O4 -","- C36 H36 Br2 Li2 O4 -","- C72 H72 Br4 Li4 O8 -","2","0.5","","Daniel Stern; Nils Finkelmeier; Dietmar Stalke","Assessment of the LiX salt-effect in anthracenyl lithiums","Chem.Commun.","2011","47","","2113","","10.1039/c0cc02772c","","","0.71073","MoKα","","0.0503","0.0423","","","0.1113","0.1162","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105959","9.3818","0.0018","14.47","0.003","28.554","0.005","88.542","0.003","85.98","0.002","89.426","0.003","3865.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H104 Br5 Li5 O10 -","- C82 H104 Br5 Li5 O10 -","- C164 H208 Br10 Li10 O20 -","2","1","","Daniel Stern; Nils Finkelmeier; Dietmar Stalke","Assessment of the LiX salt-effect in anthracenyl lithiums","Chem.Commun.","2011","47","","2113","","10.1039/c0cc02772c","","","0.71073","MoKα","","0.0899","0.0731","","","0.1843","0.1937","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7105960","19.891","0.003","8.2807","0.0013","32.847","0.005","90","","101.332","0.002","90","","5304.8","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28.25 Br1.75 Li2 O4 -","- C22 H28.263 Br1.737 Li2 O4 -","- C176 H226.104 Br13.896 Li16 O32 -","8","1","","Daniel Stern; Nils Finkelmeier; Dietmar Stalke","Assessment of the LiX salt-effect in anthracenyl lithiums","Chem.Commun.","2011","47","","2113","","10.1039/c0cc02772c","","","0.71073","MoKα","","0.0701","0.0537","","","0.1287","0.1355","","","","","","1.081","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105961","25.2727","0.0008","15.3277","0.0005","20.9562","0.0007","90","","95.162","0.002","90","","8084.9","0.5","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","C1(32)-C90.NiOEP.2toluene","","","- C140 H60 N4 Ni -","- C140 H60 N4 Ni -","- C560 H240 N16 Ni4 -","4","0.5","","Wang, Hua; Mercado, Brandon Q.; Jin, Hongxiao; Wang, Zhimin; Jiang, An; Li, Ziyang; Beavers, Christine M.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerenes without symmetry: crystallographic characterization of C1(30)‒C~90~ and C1(32)‒C~90~","Chemical Communications (Cambridge, United Kingdom)","2011","47","","2068","2070","10.1039/c0cc03017a","","","0.7749","synchrotron","","0.0935","0.0777","","","0.2222","0.2416","","","","","","1.088","","","","has coordinates,has disorder","210840","2020-10-21","18:00:00",""
"7105962","25.5124","0.0006","15.2234","0.0004","20.7457","0.0005","90","","95.468","0.001","90","","8020.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","C1(30)-C90.NiOEP.2toluene","","","- C140 H60 N4 Ni -","- C141.8 H60 N4 Ni -","- C567.2 H240 N16 Ni4 -","4","0.5","","Wang, Hua; Mercado, Brandon Q.; Jin, Hongxiao; Wang, Zhimin; Jiang, An; Li, Ziyang; Beavers, Christine M.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerenes without symmetry: crystallographic characterization of C1(30)‒C~90~ and C1(32)‒C~90~","Chemical Communications (Cambridge, United Kingdom)","2011","47","","2068","2070","10.1039/c0cc03017a","","","0.7749","synchrotron","","0.0938","0.0812","","","0.2595","0.2835","","","","","","1.044","","","","has coordinates,has disorder","210840","2020-10-21","18:00:00",""
"7105963","13.33","0.003","15.327","0.003","8.7796","0.0017","90","","131.2","0.02","90","","1349.6","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Zn-Tetrazole","","","- C5 H10 N11 O Zn -","- C5 H10 N11 O Zn -","- C20 H40 N44 O4 Zn4 -","4","1","","Tamas Panda; Pradip Pachfule; Yifei Chen; Jianwen Jiang; Rahul Banerjee","Amino Functionalized Zeolitic Tetrazolate Framework (ZTF) with High Capacity for Storage of Carbon Dioxide","Chem.Commun.","2011","47","","2011","","10.1039/c0cc04169f","","","0.71073","MoKα","","0.0531","0.051","","","0.1283","0.1301","","","","","","1.051","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105964","11.2996","0.0007","13.4269","0.0008","28.789","0.002","90","","90","","90","","4367.8","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","Dichloro-palladium-complex","Dichloro-palladium-complex","","- C37 H49 Cl6 N O3 P2 Pd Si -","- C37 H49 Cl6 N O3 P2 Pd Si -","- C148 H196 Cl24 N4 O12 P8 Pd4 Si4 -","4","1","","Tobias Posset; Johannes Guenther; Jacqueline Pope; Thomas Oeser; Janet Blumel","Immobilized Sonogashira Catalyst Systems: New Insights by Multinuclear HRMAS NMR Studies","Chem.Commun.","2011","47","","2059","","10.1039/c0cc04194g","","","0.71073","MoKα","","0.037","0.0337","","","0.0781","0.0792","","","","","","1.126","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105965","27.2619","0.0012","8.1375","0.0004","13.4148","0.0006","90","","115.991","0.002","90","","2675","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H40 N3 O8 -","- C22 H36 N3 O9 -","- C88 H144 N12 O36 -","4","1","","Poulami Jana; Sibaprasad Maity; Suman Kumar Maity; Debasish Haldar","A new peptide motif in the formation of supramolecular double helices","Chem.Commun.","2011","47","","2092","","10.1039/c0cc04244g","","","0.71073","MoKα","","0.0678","0.0461","","","0.1407","0.188","","","","","","0.749","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105966","10.7245","0.0005","14.2333","0.001","18.2023","0.0009","90","","90","","90","","2778.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N3 O7 -","- C25 H39 N3 O7 -","- C100 H156 N12 O28 -","4","1","","Poulami Jana; Sibaprasad Maity; Suman Kumar Maity; Debasish Haldar","A new peptide motif in the formation of supramolecular double helices","Chem.Commun.","2011","47","","2092","","10.1039/c0cc04244g","","","0.71073","MoKα","","0.07","0.0409","","","0.1087","0.1428","","","","","","0.793","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105967","10.6501","0.0005","14.1442","0.0005","18.3996","0.0008","90","","90","","90","","2771.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N3 O7 -","- C25 H39 N3 O7 -","- C100 H156 N12 O28 -","4","1","","Poulami Jana; Sibaprasad Maity; Suman Kumar Maity; Debasish Haldar","A new peptide motif in the formation of supramolecular double helices","Chem.Commun.","2011","47","","2092","","10.1039/c0cc04244g","","","0.71073","MoKα","","0.0443","0.0366","","","0.1002","0.111","","","","","","0.893","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105968","18.6001","0.0012","7.5076","0.0005","21.9761","0.0014","90","","90","","90","","3068.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Cu N4 O5 S -","- C12 H16 Cu N4 O5.37 S -","- C96 H128 Cu8 N32 O42.96 S8 -","8","1","","Sabbani Supriya; Samar K. Das","Solid-to-solid formation at the solid–liquid interface leading to a chiral coordination polymer from an achiral monomer","Chem.Commun.","2011","47","","2062","","10.1039/c0cc04375c","","","0.71073","MoKα","","0.0481","0.0401","","","0.087","0.0897","","","","","","1.097","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105969","5.9976","0.0004","7.8816","0.0006","19.2462","0.0014","90","","90","","90","","909.78","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Cu N8 -","- C6 H8 Cu N8 -","- C24 H32 Cu4 N32 -","4","1","","Sabbani Supriya; Samar K. Das","Solid-to-solid formation at the solid–liquid interface leading to a chiral coordination polymer from an achiral monomer","Chem.Commun.","2011","47","","2062","","10.1039/c0cc04375c","","","0.71073","MoKα","","0.0318","0.0296","","","0.0669","0.0678","","","","","","1.085","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105970","26.7783","0.0012","26.7783","","10.9031","0.0004","90","","90","","120","","6770.9","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","4-p-Hydroxyphenyl-2,2,4-trimethylchroman","4-p-Hydroxyphenyl-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C324 H360 O36 -","18","1","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.71073","MoKα","","0.0745","0.0479","","","0.1224","0.128","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105971","27.2014","0.001","27.2014","","11.0239","0.0003","90","","90","","120","","7064","0.3","299","2","299","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman isopropanol clathrate","","- C57 H68 O7 -","- C56.97 H67.92 O6.99 -","- C341.82 H407.52 O41.94 -","6","0.333333","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.71073","MoKα","","0.0762","0.0609","","","0.1786","0.1875","","","","","","1.002","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105972","27.0106","0.0004","27.0106","","10.976","0.0001","90","","90","","120","","6934.95","0.12","182","2","182","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman isopropanol clathrate","","- C57 H68 O7 -","- C56.97 H67.92 O6.99 -","- C341.82 H407.52 O41.94 -","6","0.333333","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.71073","MoKα","","0.0706","0.0617","","","0.1729","0.1791","","","","","","1.003","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105973","53.9718","0.001","53.9718","","11.0324","0.0003","90","","90","","120","","27831.4","0.9","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman isopropanol clathrate","","- C57 H68 O7 -","- C56.9925 H67.98 O6.9975 -","- C1367.82 H1631.52 O167.94 -","24","1.33333","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.71073","MoKα","","0.0635","0.0501","","","0.1221","0.1272","","","","","","1.005","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105974","53.7098","0.0013","53.7098","","10.9911","0.0003","90","","90","","120","","27458.6","1","15","2","15","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman isopropanol clathrate","","- C57 H68 O7 -","- C57 H68 O7 -","- C1368 H1632 O168 -","24","1.33333","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.41328","synchrotron","","0.0908","0.0669","","","0.1711","0.1811","","","","","","1.057","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105975","12.37","0.0004","11.038","0.0003","36.1547","0.0011","90","","90.729","0.001","90","","4936.2","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H55 B F10 P -","- C57 H55 B F10 P -","- C228 H220 B4 F40 P4 -","4","1","","Cornelia M. Momming; Gerald Kehr; Roland Frohlich; Gerhard Erker","The Frustrated Lewis Pair Induced Formation of a Pentafulvene [6+4] Cycloaddition Product","Chem.Commun.","2011","47","","2006","","10.1039/c0cc04567e","","","1.54178","CuKα","","0.0827","0.0532","","","0.1212","0.1388","","","","","","1.023","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105976","9.2813","0.0002","13.9405","0.0003","14.3069","0.0003","90","","90","","90","","1851.11","0.07","123","1","123","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 S -","- C19 H25 N O4 S -","- C76 H100 N4 O16 S4 -","4","1","","Felix Voss; Eberhardt Herdtweck; Thorsten Bach","Hydrogen bond induced enantiselectivity in Mn(salen)-catalysed sulfoxidation reactions","Chem.Commun.","2011","47","","2137","","10.1039/c0cc04636a","","","1.5418","CuKα","","0.0193","0.019","","","0.0475","0.0476","","","","","","1.069","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105977","7.1991","0.0008","14.1332","0.0015","25.829","0.003","90","","90","","90","","2628","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl Ir P -","- C33 H31 Cl Ir P -","- C132 H124 Cl4 Ir4 P4 -","4","1","","Leen E. E. Broeckx; Martin Lutz; Dieter Vogt; Christian Muller","C-H Activation of 2,4,6-Triphenylphosphinine: Unprecedented Formation of Cyclometalated [(P^C)Ir(III)] and [(P^C)Rh(III)] Complexes","Chem.Commun.","2011","47","","2003","","10.1039/c0cc04660d","","","0.71073","MoKα","","0.0314","0.0261","","","0.0584","0.061","","","","","","1.051","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105978","7.33421","0.00012","16.3287","0.0004","22.9799","0.0003","90","","98.867","0.001","90","","2719.14","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl P Rh -","- C33 H31 Cl P Rh -","- C132 H124 Cl4 P4 Rh4 -","4","1","","Leen E. E. Broeckx; Martin Lutz; Dieter Vogt; Christian Muller","C-H Activation of 2,4,6-Triphenylphosphinine: Unprecedented Formation of Cyclometalated [(P^C)Ir(III)] and [(P^C)Rh(III)] Complexes","Chem.Commun.","2011","47","","2003","","10.1039/c0cc04660d","","","0.71073","MoKα","","0.0251","0.0216","","","0.0549","0.0574","","","","","","1.04","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105979","14.682","0.003","15.347","0.003","19.14","0.004","95.82","0.03","100.58","0.03","94.33","0.03","4198","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H97 Er2 N11 Ni3 O36 -","- C69 H71 Er2 N11 Ni3 O36 -","- C138 H142 Er4 N22 Ni6 O72 -","2","1","","Peter Roesky; Asamanjoy Bhunia; Yanhua Lan; Annie Powell; Sven Kureti","Salen-based metal–organic frameworks of nickel and the lanthanides","Chem.Commun.","2011","47","","2035","","10.1039/c0cc04881j","","","0.71073","MoKα","","0.1121","0.0765","","","0.1806","0.1994","","","","","","0.987","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105980","14.637","0.003","15.373","0.003","19.098","0.004","95.65","0.03","100.61","0.03","94.39","0.03","4183.6","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H97 Lu2 N11 Ni3 O36 -","- C69 H71 Lu2 N11 Ni3 O36 -","- C138 H142 Lu4 N22 Ni6 O72 -","2","1","","Peter Roesky; Asamanjoy Bhunia; Yanhua Lan; Annie Powell; Sven Kureti","Salen-based metal–organic frameworks of nickel and the lanthanides","Chem.Commun.","2011","47","","2035","","10.1039/c0cc04881j","","","0.71073","MoKα","","0.0965","0.0594","","","0.1205","0.1326","","","","","","1.031","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105981","7.5226","0.0015","22.668","0.005","17.349","0.004","90","","95.88","0.03","90","","2942.8","1.1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Dy N3 Ni O13 S2 -","- C22 H24 Dy N3 Ni O13 S2 -","- C88 H96 Dy4 N12 Ni4 O52 S8 -","4","1","","Peter Roesky; Asamanjoy Bhunia; Yanhua Lan; Annie Powell; Sven Kureti","Salen-based metal–organic frameworks of nickel and the lanthanides","Chem.Commun.","2011","47","","2035","","10.1039/c0cc04881j","","","0.71073","MoKα","","0.0838","0.0582","","","0.1315","0.1424","","","","","","1.04","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105982","8.3866","0.0003","28.4107","0.0009","8.9081","0.0004","90","","117.935","0.001","90","","1875.21","0.12","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C54 H29 N O2 -","- C54 H29 N O2 -","- C108 H58 N2 O4 -","2","0.5","","Lingling Rong; Qiancai Liu; Yingbo Shi; Jie Tang","Fluoradenes via palladium-catalyzed intramolecular arylation","Chem.Commun.","2011","47","","2155","","10.1039/c0cc05004k","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105983","28.2705","0.001","12.8474","0.0005","15.7041","0.0006","90","","112.209","0.001","90","","5280.6","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 N -","- C37 H31 N -","- C296 H248 N8 -","8","1","","Lingling Rong; Qiancai Liu; Yingbo Shi; Jie Tang","Fluoradenes via palladium-catalyzed intramolecular arylation","Chem.Commun.","2011","47","","2155","","10.1039/c0cc05004k","","","0.71073","MoKα","","0.0987","0.0808","","","0.2111","0.2323","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105984","13.3928","0.0005","15.7368","0.0005","19.3999","0.0007","90","","107.349","0.001","90","","3902.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H41 N -","- C56 H41 N -","- C224 H164 N4 -","4","1","","Lingling Rong; Qiancai Liu; Yingbo Shi; Jie Tang","Fluoradenes via palladium-catalyzed intramolecular arylation","Chem.Commun.","2011","47","","2155","","10.1039/c0cc05004k","","","0.71073","MoKα","","0.0855","0.0594","","","0.1526","0.1749","","","","","","1.029","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105985","8.2045","0.0004","28.7349","0.0014","10.9365","0.0005","90","","96.475","0.002","90","","2561.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 N -","- C37 H25 N -","- C148 H100 N4 -","4","1","","Lingling Rong; Qiancai Liu; Yingbo Shi; Jie Tang","Fluoradenes via palladium-catalyzed intramolecular arylation","Chem.Commun.","2011","47","","2155","","10.1039/c0cc05004k","","","0.71073","MoKα","","0.1211","0.0509","","","0.0956","0.1184","","","","","","0.998","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105986","8.1129","0.0003","9.2093","0.0003","27.8672","0.001","88.764","0.001","83.52","0.001","65.079","0.001","1875.37","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H35 N -","- C56 H35 N -","- C112 H70 N2 -","2","1","","Lingling Rong; Qiancai Liu; Yingbo Shi; Jie Tang","Fluoradenes via palladium-catalyzed intramolecular arylation","Chem.Commun.","2011","47","","2155","","10.1039/c0cc05004k","","","0.71073","MoKα","","0.0644","0.0405","","","0.0917","0.105","","","","","","1.018","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105987","20.7526","0.0017","17.8092","0.0014","18.617","0.0015","90","","90","","90","","6880.6","1","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C72 H54 O12 P6 Pd6 -","- C72 H54 O12 P6 Pd6 -","- C288 H216 O48 P24 Pd24 -","4","0.5","","Qing Xu.; Ruwei Shen.; Yutaka Ono.; Ritsuko Nagahata; Shigeru Shimada; Midori Goto; Li-Biao Han","Highly Regioselective Addition and Dehydrogenative Cross-Coupling of H-Heteroatoms with Alkynes Using An Unconventional Palladacycle Catalyst","Chem.Commun.","2011","47","","2333","","10.1039/c0cc03436c","","","0.71069","MoKα","","","0.0611","","","","0.1505","","","","","","1.258","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105988","14.849","0.0009","11.5995","0.0007","19.2145","0.0012","90","","93.257","0.001","90","","3304.2","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 Cl2 O3 P4 Pd -","- C31 H38 Cl2 O3 P4 Pd -","- C124 H152 Cl8 O12 P16 Pd4 -","4","1","","Qing Xu.; Ruwei Shen.; Yutaka Ono.; Ritsuko Nagahata; Shigeru Shimada; Midori Goto; Li-Biao Han","Highly Regioselective Addition and Dehydrogenative Cross-Coupling of H-Heteroatoms with Alkynes Using An Unconventional Palladacycle Catalyst","Chem.Commun.","2011","47","","2333","","10.1039/c0cc03436c","","","0.71073","MoKα","","0.0292","0.0266","","","0.069","0.0707","","","","","","1.035","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105989","13.5467","0.0003","24.5577","0.0005","22.819","0.0005","90","","103.153","0.001","90","","7392.2","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H68 N32 Ni2 O10 -","- C64 H68 N32 Ni2 O10 -","- C256 H272 N128 Ni8 O40 -","4","1","","Jiao-Min Lin; Wen-Bin Chen; Xue-Mei Lin; An-Hui Lin; Chang-Yan Ma; Wen Dong; Chang-En Tian","Syntheses, structures and multi-photoluminescence images with confocal microscopy for three 5,5?-azotetrazolate(AZT) based Zn(II) and Ni(II) complexes","Chem.Commun.","2011","47","","2402","","10.1039/c0cc03720f","","","0.71073","MoKα","","0.0541","0.0403","","","0.1034","0.1115","","","","","","0.98","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105990","23.7733","0.0008","13.8712","0.0004","22.7063","0.0007","90","","97.235","0.002","90","","7428.1","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 N12 O9 Zn -","- C31 H36 N12 O9 Zn -","- C248 H288 N96 O72 Zn8 -","8","1","","Jiao-Min Lin; Wen-Bin Chen; Xue-Mei Lin; An-Hui Lin; Chang-Yan Ma; Wen Dong; Chang-En Tian","Syntheses, structures and multi-photoluminescence images with confocal microscopy for three 5,5?-azotetrazolate(AZT) based Zn(II) and Ni(II) complexes","Chem.Commun.","2011","47","","2402","","10.1039/c0cc03720f","","","0.71073","MoKα","","0.0931","0.0524","","","0.1427","0.1643","","","","","","1.081","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105991","23.7645","0.0006","7.2375","0.0002","14.5854","0.0004","90","","90","","90","","2508.62","0.12","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C10 H30 N26 O2 Zn -","- C10 H30 N26 O2 Zn -","- C40 H120 N104 O8 Zn4 -","4","0.5","","Jiao-Min Lin; Wen-Bin Chen; Xue-Mei Lin; An-Hui Lin; Chang-Yan Ma; Wen Dong; Chang-En Tian","Syntheses, structures and multi-photoluminescence images with confocal microscopy for three 5,5?-azotetrazolate(AZT) based Zn(II) and Ni(II) complexes","Chem.Commun.","2011","47","","2402","","10.1039/c0cc03720f","","","0.71073","MoKα","","0.0438","0.0296","","","0.0732","0.0812","","","","","","1.036","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105992","12.2072","0.0004","20.6545","0.0012","21.4041","0.0011","68.825","0.005","88.866","0.004","80.174","0.004","4953.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H129 N3 O20 -","- C106 H129 N3 O20 -","- C212 H258 N6 O40 -","2","1","","Zibin Zhang; Yan Luo; Binyuan Xia; Chengyou Han; Yihua Yu; Xiaopeng Chen; Feihe Huang","Four Structural isomers of BMpillar[5]arene: Synthesis, Crystal Structures and Complexation with N-Octyltrimethyl Ammonium Hexafluorophosphate","Chem.Commun.","2011","47","","2417","","10.1039/c0cc03732j","","","1.54178","CuKα","","0.15","0.1031","","","0.2895","0.3248","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105993","12.0537","0.0005","14.0506","0.0009","18.5235","0.0012","88.658","0.005","80.286","0.004","64.905","0.005","2796.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H80 O10 -","- C60 H80 O10 -","- C120 H160 O20 -","2","1","","Zibin Zhang; Yan Luo; Binyuan Xia; Chengyou Han; Yihua Yu; Xiaopeng Chen; Feihe Huang","Four Structural isomers of BMpillar[5]arene: Synthesis, Crystal Structures and Complexation with N-Octyltrimethyl Ammonium Hexafluorophosphate","Chem.Commun.","2011","47","","2417","","10.1039/c0cc03732j","","","1.54184","CuKα","","0.1571","0.1123","","","0.3361","0.37","","","","","","1.244","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7105994","17.9638","0.0004","17.0421","0.0003","18.6889","0.0003","90","","95.1314","0.0016","90","","5698.51","0.19","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 O10 -","- C60 H80 O10 -","- C240 H320 O40 -","4","0.5","","Zibin Zhang; Yan Luo; Binyuan Xia; Chengyou Han; Yihua Yu; Xiaopeng Chen; Feihe Huang","Four Structural isomers of BMpillar[5]arene: Synthesis, Crystal Structures and Complexation with N-Octyltrimethyl Ammonium Hexafluorophosphate","Chem.Commun.","2011","47","","2417","","10.1039/c0cc03732j","","","1.54184","CuKα","","0.1553","0.146","","","0.3743","0.379","","","","","","1.074","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105995","11.96204","0.00012","12.44483","0.00017","40.296","0.0006","90","","92.4743","0.0012","90","","5993.09","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 O10 -","- C60 H80 O10 -","- C240 H320 O40 -","4","1","","Zibin Zhang; Yan Luo; Binyuan Xia; Chengyou Han; Yihua Yu; Xiaopeng Chen; Feihe Huang","Four Structural isomers of BMpillar[5]arene: Synthesis, Crystal Structures and Complexation with N-Octyltrimethyl Ammonium Hexafluorophosphate","Chem.Commun.","2011","47","","2417","","10.1039/c0cc03732j","","","1.54184","CuKα","","0.1053","0.0835","","","0.2458","0.2632","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105996","12.4158","0.0004","14.2139","0.0005","18.329","0.0006","79.011","0.003","78.437","0.003","75.797","0.003","3037.87","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H94 O10 -","- C66 H94 O10 -","- C132 H188 O20 -","2","1","","Zibin Zhang; Yan Luo; Binyuan Xia; Chengyou Han; Yihua Yu; Xiaopeng Chen; Feihe Huang","Four Structural isomers of BMpillar[5]arene: Synthesis, Crystal Structures and Complexation with N-Octyltrimethyl Ammonium Hexafluorophosphate","Chem.Commun.","2011","47","","2417","","10.1039/c0cc03732j","","","0.71073","MoKα","","0.1194","0.0852","","","0.2619","0.2809","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105997","9.608","0.0002","14.8383","0.0003","15.2496","0.0003","94.1835","0.001","103.425","0.0009","92.087","0.001","2105.85","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ca(BH4)(THF)5][BPh4]","","- C44 H64 B2 Ca O5 -","- C44 H64 B2 Ca O5 -","- C88 H128 B4 Ca2 O10 -","2","1","","Michael G. Cushion; Philip Mountford","Cationic and charge-neutral calcium tetrahydroborate complexes and their use in the controlled ring-opening polymerisation of rac-lactide","Chem.Commun.","2011","47","","2276","","10.1039/c0cc04348f","","","0.71073","MoKα","","0.1082","0.0785","","0.1119","0.0858","0.0815","","","","","","1.1028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105998","10.3958","0.0002","15.0936","0.0004","17.5126","0.0004","82.3488","0.0012","82.0004","0.0012","80.4508","0.0007","2666.36","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ca{HC(Me2pz)3}(BH4)(THF)2][BPh4] . 2(THF)","","- C56 H78 B2 Ca N6 O4 -","- C56 H78 B2 Ca N6 O4 -","- C112 H156 B4 Ca2 N12 O8 -","2","1","","Michael G. Cushion; Philip Mountford","Cationic and charge-neutral calcium tetrahydroborate complexes and their use in the controlled ring-opening polymerisation of rac-lactide","Chem.Commun.","2011","47","","2276","","10.1039/c0cc04348f","","","0.71073","MoKα","","0.0553","0.045","","0.0594","0.0471","0.0464","","","","","","1.0955","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105999","7.46","0.004","9.197","0.005","12.279","0.007","83.758","0.018","86.002","0.016","79.445","0.015","822.2","0.8","153.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Br F N -","- C9 Br F N -","- C36 Br4 F4 N4 -","4","2","","Masahito Murai; Ryo Hatano; Sachie Kitabata; Kouichi Ohe","Gallium (III)-catalysed Bromocyanation of Alkynes: Regio- and Stereoselective Synthesis of b-Bromo-a,b-unsaturated Nitriles","Chem.Commun.","2011","47","","2375","","10.1039/c0cc04385k","","","0.7107","MoKα","","","0.05","","","","0.063","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106000","17.478","0.004","20.112","0.004","22.165","0.004","65.87","0.03","80.27","0.03","79.76","0.03","6957","3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H30 N10 -","- C54 H30 N10 -","- C216 H120 N40 -","4","2","","Min Xue; Chuan-Feng Chen","Aromatic single-walled organic nanotubes self-assembled from NH-bridged azacalix[2]triptycene[2]pyridine","Chem.Commun.","2011","47","","2318","","10.1039/c0cc04580b","","","0.71073","MoKα","","0.0988","0.0664","","","0.1775","0.1946","","","","","","0.921","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106001","17.478","0.004","20.112","0.004","22.165","0.004","65.87","0.03","80.27","0.03","79.76","0.03","6957","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H45 N15 O5 -","- C58.693 H30 N10 O4.282 -","- C234.772 H120 N40 O17.128 -","4","2","","Min Xue; Chuan-Feng Chen","Aromatic single-walled organic nanotubes self-assembled from NH-bridged azacalix[2]triptycene[2]pyridine","Chem.Commun.","2011","47","","2318","","10.1039/c0cc04580b","","","0.71073","MoKα","","0.179","0.1474","","","0.361","0.3829","","","","","","1.255","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106002","17.445","0.004","20.049","0.004","22.132","0.004","65.99","0.03","79.88","0.03","79.54","0.03","6909","3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C115.04 H99.74 N20 O12.82 -","- C115.06 H85.612 N20 O12.842 -","- C230.12 H171.224 N40 O25.684 -","2","1","","Min Xue; Chuan-Feng Chen","Aromatic single-walled organic nanotubes self-assembled from NH-bridged azacalix[2]triptycene[2]pyridine","Chem.Commun.","2011","47","","2318","","10.1039/c0cc04580b","","","0.71073","MoKα","","0.137","0.0998","","","0.2844","0.3227","","","","","","1.061","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106003","33.419","0.006","22.7212","0.0005","32.41","0.002","90","","107.712","0.001","90","","23443","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H108 Cl6 Cu3 N24 O55 P4 -","- C60 H60 Cl6 Cu3 N24 O55 P4 -","- C480 H480 Cl48 Cu24 N192 O440 P32 -","8","1","","Ning Li; Feilong Jiang; Lian Chen; Xingjun Li; Qihui Chen; Maochun Hong","From discrete octahedral nanocages to 1D coordination polymer: Coordination-driven a single-crystal-to-single-crystal transformation via anion exchange","Chem.Commun.","2011","47","","2327","","10.1039/c0cc04601a","","","0.71073","MoKα","","0.1176","0.0877","","","0.2534","0.3022","","","","","","1.033","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106004","35.332","0.007","18.535","0.003","35.992","0.007","90","","115.187","0.003","90","","21329","7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H104 Cl6 Cu3 N24 O26 P4 -","- C60 H60 Cl6 Cu3 N24 O26 P4 -","- C480 H480 Cl48 Cu24 N192 O208 P32 -","8","1","","Ning Li; Feilong Jiang; Lian Chen; Xingjun Li; Qihui Chen; Maochun Hong","From discrete octahedral nanocages to 1D coordination polymer: Coordination-driven a single-crystal-to-single-crystal transformation via anion exchange","Chem.Commun.","2011","47","","2327","","10.1039/c0cc04601a","","","0.71073","MoKα","","0.1424","0.1209","","","0.3528","0.4016","","","","","","1.158","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106005","8.689","0.002","12.097","0.003","16.266","0.004","90","","90","","90","","1709.7","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N6 O2 P -","- C15 H15 N6 O2 P -","- C60 H60 N24 O8 P4 -","4","1","","Ning Li; Feilong Jiang; Lian Chen; Xingjun Li; Qihui Chen; Maochun Hong","From discrete octahedral nanocages to 1D coordination polymer: Coordination-driven a single-crystal-to-single-crystal transformation via anion exchange","Chem.Commun.","2011","47","","2327","","10.1039/c0cc04601a","","","0.71073","MoKα","","0.0531","0.0508","","","0.1453","0.1511","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106006","8.467","0.0006","26.236","0.002","11.2916","0.0007","90","","108.651","0.007","90","","2376.6","0.3","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 O6 -","- C27 H32 O6 -","- C108 H128 O24 -","4","1","","Jonathan M. Faber; Craig M. Williams","A Concise Total Synthesis of (±)-Cipadonoid B from Synthetic Azedaralide","Chem.Commun.","2011","47","","2258","","10.1039/c0cc04698a","","x-ray","0.71073","MoKα","","0.0911","0.0426","","","0.0889","0.0978","","","","","","0.838","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106007","9.047","0.002","23.865","0.006","12.926","0.003","90","","100.916","0.004","90","","2740.3","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 N O5 S -","- C33 H31 N O5 S -","- C132 H124 N4 O20 S4 -","4","1","","Teng-Yue Jian; Pan-Lin Shao; Song Ye","Enantioselective [4+2] cycloaddition of ketenes and 1-azadienes catalyzed by N-heterocyclic carbenes","Chem.Commun.","2011","47","","2381","","10.1039/c0cc04839a","","","0.71073","MoKα","","0.093","0.0827","","","0.1548","0.1595","","","","","","1.249","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106008","8.095","0.005","31.435","0.018","16.548","0.01","90","","101.094","0.01","90","","4132","4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Cl5 N3 O3 Ru -","- C39 H46 Cl5 N3 O3 Ru -","- C156 H184 Cl20 N12 O12 Ru4 -","4","1","","Michaela Zirngast; Eva Pump; Anita Leitgeb; Jorg H. Albering; Christian Slugovc","Pyridine as trigger for chloride isomerisation in chelated ruthenium benzyliden complexes: implications for olefin metathesis;","Chem.Commun.","2011","47","","2261","","10.1039/c0cc04897f","","","0.71073","MoKα","","0.05","0.041","","","0.0899","0.096","","","","","","1.148","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106009","17.4417","0.0004","8.3267","0.0002","25.4581","0.0006","90","","109.184","0.001","90","","3492.01","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Cl4 N2 O3 Ru -","- C34 H42 Cl4 N2 O3 Ru -","- C136 H168 Cl16 N8 O12 Ru4 -","4","1","","Michaela Zirngast; Eva Pump; Anita Leitgeb; Jorg H. Albering; Christian Slugovc","Pyridine as trigger for chloride isomerisation in chelated ruthenium benzyliden complexes: implications for olefin metathesis;","Chem.Commun.","2011","47","","2261","","10.1039/c0cc04897f","","","0.71073","MoKα","","0.0329","0.0264","","","0.0617","0.0653","","","","","","1.028","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106010","10.126","0.0005","11.6705","0.0006","6.4209","0.0003","90","","90","","90","","758.79","0.06","250","2","250","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C8 H29 Al B2 N4 -","- C8 H29 Al B2 N4 -","- C16 H58 Al2 B4 N8 -","2","0.5","","Hugh J. Cowley Mark S. Holt Rebecca L. Melen Jeremy M. Rawson Dominic S. Wright","Catalytic dehydrocoupling of Me2NHBH3 with Al(NMe2)3","Chem.Commun.","2011","47","","2682","","10.1039/c0cc05294a","","","0.71073","MoKα","","0.0627","0.0574","","","0.1662","0.171","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106011","17.595","0.004","18.176","0.005","18.778","0.005","90","","90","","90","","6005","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H32 Br Cd N2 O11 -","- C25 H32 Br Cd N2 O11 -","- C200 H256 Br8 Cd8 N16 O88 -","8","1","","Xu-Hui Jin Jian-Ke Sun Li-Xuan Cai Jie Zhang","2D flexible metal-organic frameworks with [Cd2(u2-X)2](X = Cl or Br) units exhibiting selective fluorescence sensing for small molecules","Chem.Commun.","2011","47","","2667","","10.1039/c0cc04084c","","","0.71073","MoKα","","0.0824","0.0796","","","0.1595","0.1612","","","","","","1.092","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7106012","17.559","0.007","17.974","0.007","18.688","0.007","90","","90","","90","","5898","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H32 Cd Cl N2 O11 -","- C25 H32 Cd Cl N2 O11 -","- C200 H256 Cd8 Cl8 N16 O88 -","8","1","","Xu-Hui Jin Jian-Ke Sun Li-Xuan Cai Jie Zhang","2D flexible metal-organic frameworks with [Cd2(u2-X)2](X = Cl or Br) units exhibiting selective fluorescence sensing for small molecules","Chem.Commun.","2011","47","","2667","","10.1039/c0cc04084c","","","0.71073","MoKα","","0.0522","0.0437","","","0.1093","0.1159","","","","","","1.026","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7106013","19.2919","0.0014","19.2919","0.0014","19.2919","0.0014","90","","90","","90","","7180","0.9","293","2","291","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C45 H51 N3 O28 Zn4 -","- C45 H51 N3 O28 Zn4 -","- C90 H102 N6 O56 Zn8 -","2","0.0833333","","Jingui Duan; Junfeng Bai; Baishu Zheng; Yizhi Li; Wenchao Ren","Controlling the Shifting Degree of Interpenetrated Metal-Organic Frameworks by Template and Temperature and Their Hydrogen Adsorption Properties","Chem.Commun.","2011","47","","2556","","10.1039/c0cc04146g","","","0.71073","MoKα","","0.0853","0.0541","","","0.1726","0.2096","","","","","","0.899","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106014","19.0893","0.0015","26.952","0.002","31.7133","0.0018","90","","119.592","0.003","90","","14188.1","1.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 N5 O18 Zn4 -","- C51 H38 N5 O18 Zn4 -","- C204 H152 N20 O72 Zn16 -","4","1","","Jingui Duan; Junfeng Bai; Baishu Zheng; Yizhi Li; Wenchao Ren","Controlling the Shifting Degree of Interpenetrated Metal-Organic Frameworks by Template and Temperature and Their Hydrogen Adsorption Properties","Chem.Commun.","2011","47","","2556","","10.1039/c0cc04146g","","","0.71073","MoKα","","0.0886","0.0614","","","0.1359","0.1428","","","","","","1.074","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106015","6.5538","0.0019","12.554","0.003","31.974","0.009","90","","90","","90","","2630.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quininium-(S)-mandelate","quininium-(S)-mandelate","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","","0.71073","MoKα","","0.0696","0.0493","","","0.1178","0.1261","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106016","10.4121","0.0014","18.574","0.003","19.07","0.003","90","","102.635","0.003","90","","3598.7","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C168 H192 N12 O30 -","6","3","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","","0.71073","MoKα","","0.0504","0.0468","","","0.127","0.1304","","","","","","1.027","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106017","10.381","0.003","18.456","0.005","19.036","0.005","90","","102.557","0.005","90","","3559.9","1.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5.00033 -","- C168 H192 N12 O30.002 -","6","3","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","","0.71073","MoKα","","0.0654","0.0519","","","0.1177","0.124","","","","","","1.035","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106018","10.4377","0.0014","18.501","0.002","19.116","0.002","90","","102.318","0.002","90","","3606.5","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C168 H192 N12 O30 -","6","3","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","","0.71073","MoKα","","0.0369","0.0329","","","0.0792","0.0815","","","","","","1.118","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106019","10.415","0.002","18.416","0.004","18.845","0.004","90","","101.431","0.007","90","","3542.8","1.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C168 H192 N12 O30 -","6","3","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","x-ray","0.71073","MoKα","","0.0676","0.0528","","","0.1312","0.1394","","","","","","1.04","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106020","9.5948","0.0019","14.02","0.003","12.332","0.003","90","","91.24","0.03","90","","1658.5","0.6","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H4 Cl N2 S2 -","- C7 H4 Cl N2 S2 -","- C56 H32 Cl8 N16 S16 -","8","4","","Antonio Alberola; Emma Carter; Christos P. Constantinides; Dana J. Eisler; Damien M. Murphy; Jeremy M. Rawson","Crystal structures, EPR and magnetic properties of 2-ClC6H4CNSSN and 2,5-Cl2C6H3CNSSN","Chem.Commun.","2011","47","","2532","","10.1039/c0cc04296j","","","0.71073","MoKα","","0.0576","0.0457","","","0.1099","0.1331","","","","","","1.165","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106021","7.3271","0.0002","10.3563","0.0003","24.6666","0.0007","88.096","0.002","81.458","0.002","77.009","0.001","1803.6","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","4","","Antonio Alberola; Emma Carter; Christos P. Constantinides; Dana J. Eisler; Damien M. Murphy; Jeremy M. Rawson","Crystal structures, EPR and magnetic properties of 2-ClC6H4CNSSN and 2,5-Cl2C6H3CNSSN","Chem.Commun.","2011","47","","2532","","10.1039/c0cc04296j","","","0.71073","MoKα","","0.071","0.0491","","","0.1003","0.1119","","","","","","1.05","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106022","9.479","0.002","27.837","0.006","13.143","0.003","90","","90.399","0.003","90","","3467.9","1.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N O4 -","- C17 H20 Cl N O4 -","- C136 H160 Cl8 N8 O32 -","8","4","","Tang-Lin Liu; zhao-lin He; Hai-Yan Tao; Yue-Peng Cai; Chun-Jiang Wang","Stereoselective Construction of 5-aza-Spiro[2,4] heptane Motif via Catalytic Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides and Ethyl Cyclopropylidene Acetate","Chem.Commun.","2011","47","","2616","","10.1039/c0cc04329j","","","0.71073","MoKα","","0.0944","0.0514","","","0.1253","0.1506","","","","","","1.02","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106023","24.629","0.003","24.629","0.003","24.629","0.003","90","","90","","90","","14940","3","150","2","150","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C92 H92 Cl2 Lu2 N8 -","- C92 H92 Cl2 Lu2 N8 -","- C552 H552 Cl12 Lu12 N48 -","6","0.25","","Paul Benndorf; Jelena Jenter; Larissa Zielke; Peter W. Roesky","Chiral Lutetium Benzamidinate Complexes","Chem.Commun.","2011","47","","2574","","10.1039/c0cc04962j","","","0.71073","MoKα","","0.044","0.0349","","","0.0955","0.0988","","","","","","1.123","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106024","10.221","0.002","10.667","0.002","45.586","0.009","90","","90","","90","","4970.1","1.7","206","2","206","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H64 Lu N5 Si2 -","- C52 H64 Lu N5 Si2 -","- C208 H256 Lu4 N20 Si8 -","4","1","","Paul Benndorf; Jelena Jenter; Larissa Zielke; Peter W. Roesky","Chiral Lutetium Benzamidinate Complexes","Chem.Commun.","2011","47","","2574","","10.1039/c0cc04962j","","","0.71073","MoKα","","0.1199","0.0494","","","0.0632","0.0746","","","","","","0.71","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106025","21.0452","0.0001","12.774","0.0001","32.1598","0.0002","90","","98.7771","0.0003","90","","8544.32","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H114 Cl3 Ir3 N6 -","- C81 H114 Cl3 Ir3 N6 -","- C324 H456 Cl12 Ir12 N24 -","4","1","","Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+","Chem.Commun.","2011","47","","2523","","10.1039/c0cc05431c","","","0.71073","MoKα","","0.0853","0.0378","","0.0784","0.0692","0.0664","","","","","","1.055","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106026","12.1954","0.0001","13.2412","0.0001","22.3739","0.0002","95.2905","0.0003","97.4121","0.0004","117.166","0.0005","3140.47","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H76 Cl3 Ir3 N6 -","- C63 H76 Cl3 Ir3 N6 -","- C126 H152 Cl6 Ir6 N12 -","2","1","","Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+","Chem.Commun.","2011","47","","2523","","10.1039/c0cc05431c","","","0.71073","MoKα","","0.0492","0.0409","","0.1079","0.1033","0.1079","","","","","","1.0912","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106027","15.251","0.0001","18.1566","0.0001","23.6233","0.0002","90","","90","","90","","6541.44","0.08","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C67 H58 B F24 Ir N2 -","- C67 H58 B F24 Ir N2 -","- C268 H232 B4 F96 Ir4 N8 -","4","1","","Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+","Chem.Commun.","2011","47","","2523","","10.1039/c0cc05431c","","","0.71073","MoKα","","0.054","0.0385","","0.0843","0.0723","0.0843","","","","","","0.9399","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106028","18.7562","0.0001","25.4332","0.0001","53.9834","0.0003","90","","90","","90","","25751.7","0.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H55 B F25 Ir N2 -","- C65 H55 B F25 Ir N2 -","- C1040 H880 B16 F400 Ir16 N32 -","16","2","","Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+","Chem.Commun.","2011","47","","2523","","10.1039/c0cc05431c","","","0.71073","MoKα","","0.1052","0.0659","","0.1733","0.1526","0.1733","","","","","","0.9412","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106029","13.7443","0.0002","14.4652","0.0003","15.3265","0.0003","76.3183","0.0008","78.8084","0.0008","88.2739","0.0008","2903.96","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C118 H100 B2 F48 Ir2 N4 -","- C118 H100 B2 F48 Ir2 N4 -","- C118 H100 B2 F48 Ir2 N4 -","1","0.5","","Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+","Chem.Commun.","2011","47","","2523","","10.1039/c0cc05431c","","","0.71073","MoKα","","0.0639","0.0502","","0.1225","0.1107","0.1225","","","","","","0.9959","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106030","12.3412","0.0001","16.5275","0.0001","17.7468","0.0001","113.861","0.0003","97.8293","0.0003","92.5917","0.0003","3259.39","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 B F24 Ir N2 -","- C66 H58 B F24 Ir N2 -","- C132 H116 B2 F48 Ir2 N4 -","2","1","","Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+","Chem.Commun.","2011","47","","2523","","10.1039/c0cc05431c","","","0.71073","MoKα","","0.0418","0.0387","","0.0989","0.0964","0.0988","","","","","","0.9602","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106031","15.333","0.003","15.589","0.003","19.855","0.004","94.97","0.03","110.9","0.03","94.15","0.03","4389.7","1.8","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H84 B Cl F24 Ir2 N4 -","- C90 H84 B Cl F24 Ir2 N4 -","- C180 H168 B2 Cl2 F48 Ir4 N8 -","2","1","","Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+","Chem.Commun.","2011","47","","2523","","10.1039/c0cc05431c","","","0.71073","MoKα","","0.0837","0.0498","","0.1206","0.1035","0.1205","","","","","","0.9087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106032","12.4832","0.001","22.036","0.002","19.0101","0.0016","90","","98.078","0.004","90","","5177.4","0.8","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H73 Al N4 O Zn -","- C53 H73 Al N4 O Zn -","- C212 H292 Al4 N16 O4 Zn4 -","4","1","","Stephan Schulz; Jan Spielmann; Dieter Blaser; Christoph Wolper","X-Ray crystal structure of a heterobimetallic Al–Zn-oxide complex","Chem.Commun.","2011","47","","2676","","10.1039/c0cc05599a","","","0.71073","MoKα","","0.0946","0.0547","","","0.1406","0.1614","","","","","","1.014","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106033","8.4102","0.0002","10.1431","0.0003","13.5329","0.0003","69.214","0.001","82.675","0.001","80.137","0.001","1060.55","0.05","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N4 O2 Zn2 -","- C46 H60 N4 O2 Zn2 -","- C46 H60 N4 O2 Zn2 -","1","0.5","","Stephan Schulz; Jan Spielmann; Dieter Blaser; Christoph Wolper","X-Ray crystal structure of a heterobimetallic Al–Zn-oxide complex","Chem.Commun.","2011","47","","2676","","10.1039/c0cc05599a","","","0.71073","MoKα","","0.0284","0.0245","","","0.0647","0.0669","","","","","","1.057","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106034","19.8142","0.0012","6.9536","0.0004","19.0019","0.0012","90","","90","","90","","2618.1","0.3","296","1","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C136 H96 O32 -","8","1","","Xiaopeng Chen; Hongbo Wang; Xiaohan Jin; Jinwu Feng; Yanguang Wang; Ping Lu","Palladium catalyzed bicyclization of 1,8-diiodonaphthalene and tertiary propargylic alcohols to phenalenones and their applications as fluorescent chemosensor for fluoride ions","Chem.Commun.","2011","47","","2628","","10.1039/c0cc04875e","","","0.71075","MoKα","","","0.0359","","","","0.0906","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106035","7.4355","0.0015","13.304","0.003","15.205","0.003","112.8","0.03","91.77","0.03","93.5","0.03","1381.6","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 Co5 N12 O18 -","- C56 H42 Co5 N12 O18 -","- C56 H42 Co5 N12 O18 -","1","0.5","","Shi-Yuan Zhang; Wei Shi; Yanhua Lan; Na Xu; Xiao-Qing Zhao; Annie K. Powell; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","Observation of slow relaxation of the magnetization and hysteresis loop in an antiferromagnetic ordered phase of a 2D framework based on CoII magnetic chains","Chem.Commun.","2011","47","","2859","","10.1039/c0cc02322a","","","0.71073","MoKα","","0.0793","0.0519","","","0.1195","0.1364","","","","","","0.989","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106036","38.231","0.006","38.231","0.006","13.424","0.002","90","","90","","120","","16992","5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C228 H240 Cu4 N48 O40 S4 -","- C228 H240 Cu4 N48 O40 S4 -","- C684 H720 Cu12 N144 O120 S12 -","3","0.166667","","Zaiwen Yang; Biao Wu; Xiaojuan Huang; Yanyan Liu; Shaoguang Li; Yana Xia; Chuandong Jia; Xiao-Juan Yang","Sulfate encapsulation in a metal-assisted capsule based on a mono-pyridylurea ligand","Chem.Commun.","2011","47","","2880","","10.1039/c0cc03043k","","","0.71073","MoKα","","0.0959","0.0568","","","0.1113","0.1189","","","","","","1.06","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106037","37.5437","0.0015","37.5437","0.0015","13.517","0.0011","90","","90","","120","","16500","1.6","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C228 H240 Cu4 N48 O40 S4 -","- C228 H240 Cu4 N48 O39.96 S4 -","- C684 H720 Cu12 N144 O119.88 S12 -","3","0.166667","","Zaiwen Yang; Biao Wu; Xiaojuan Huang; Yanyan Liu; Shaoguang Li; Yana Xia; Chuandong Jia; Xiao-Juan Yang","Sulfate encapsulation in a metal-assisted capsule based on a mono-pyridylurea ligand","Chem.Commun.","2011","47","","2880","","10.1039/c0cc03043k","","","0.71073","MoKα","","0.066","0.0416","","","0.0658","0.0692","","","","","","1.103","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106038","19.192","0.004","8.772","0.0018","16.666","0.003","90","","120.71","0.03","90","","2412.3","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H28 In N O8 -","- C24 H28 In N O8 -","- C96 H112 In4 N4 O32 -","4","1","","Suhyun Jung; Youngmee Kim; Sung-Jin Kim; Tae-Hwan Kwon; Seong Huh; Seongsoon Park","Bio-functionalization of metal-organic frameworks by covalent protein conjugation","Chem.Commun.","2011","47","","2904","","10.1039/c0cc03288c","","","0.71073","MoKα","","0.065","0.0382","","","0.0764","0.0847","","","","","","0.991","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106039","40.5056","0.0014","40.5056","0.0014","40.5056","0.0015","90","","90","","90","","66458","4","150","2","150","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- H131 Mo24 Na12 O180 P17 Zn6 -","- Mo24 Na12 O179.92 P17 Zn6 -","- Mo384 Na192 O2878.72 P272 Zn96 -","16","0.0833333","","Dong-Ying Du; Jun-Sheng Qin; Yang-Guang Li; Shun-Li Li; Ya-Qian Lan; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; En-Bo Wang","An unprecedented 3D 8-connected pure inorganic framework based on nanosized {[Na12PO16H24][P4Mo6O31H6]4}15- clusters and zinc cations","Chem.Commun.","2011","47","","2832","","10.1039/c0cc04343e","","","0.71073","MoKα","","0.0685","0.058","","","0.162","0.1726","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106040","11.0431","0.0009","15.8867","0.0013","33.671","0.003","90","","90","","90","","5907.2","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H24 F6 N4 Os P -","- C32 H24 F6 N4 Os P -","- C256 H192 F48 N32 Os8 P8 -","8","1","","Ricardo Ceron-Camacho; Simon Hernandez; Ronan Le Lagadec; Alexander D. Ryabov","Cyclometalated [Os(C~N)x(N~N)3-x]^m+^ Mimetics of Tris(2,2'-bipyridine)osmium(II): Covering a 2 V Potencial Range by knwon (x = 0,1) and new (x = 3) species (C~N = o-2-phenylpiriinato)","Chem.Commun.","2011","47","","2823","","10.1039/c0cc04582a","","","0.71073","MoKα","","0.0736","0.0432","","","0.105","0.1215","","","","","","1","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106041","23.4566","0.001","23.4566","0.001","9.1255","0.0008","90","","90","","90","","5021","0.5","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C33 H24 N3 Os -","- C33 H24 N3 Os -","- C264 H192 N24 Os8 -","8","1","","Ricardo Ceron-Camacho; Simon Hernandez; Ronan Le Lagadec; Alexander D. Ryabov","Cyclometalated [Os(C~N)x(N~N)3-x]^m+^ Mimetics of Tris(2,2'-bipyridine)osmium(II): Covering a 2 V Potencial Range by knwon (x = 0,1) and new (x = 3) species (C~N = o-2-phenylpiriinato)","Chem.Commun.","2011","47","","2823","","10.1039/c0cc04582a","","","0.71073","MoKα","","0.0296","0.0242","","","0.0421","0.0431","","","","","","0.919","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106042","10.6329","0.001","10.6329","0.001","24.569","0.002","90","","90","","120","","2405.6","0.4","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H42 Mg N12 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Daniel Kratzert; Dirk Leusser; Daniel Stern; Jens Meyer; Frank Breher; Dietmar Stalke","Experimental charge density distribution of non-coordinating sp3 carbanions in [Mg{(pz*)3C}2]","Chem.Commun.","2011","47","","2931","","10.1039/c0cc04688d","","","0.71073","MoKα","","0.019","0.016","","","","0.034","0.021","","","","","2.476","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106043","6.4735","0.0013","19.729","0.006","20.221","0.009","114.98","0.03","96.59","0.02","97.04","0.02","2283.2","1.5","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H25 F34 N3 -","- C36 H25 F34 N3 -","- C72 H50 F68 N6 -","2","1","","Roger Soler; Jordi Salabert; Rosa Maria Sebastian; Adelina Vallribera; Neus Roma; Susagna Ricart; Elies Molins","Highly Hydrophobic Polyfluorinated Azo Dyes Grafted on Surfaces","Chem.Commun.","2011","47","","2889","","10.1039/c0cc04695g","","x-ray","0.71073","MoKα","","0.3379","0.1962","","","0.5129","0.5806","","","","","","1.215","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106044","15.3235","0.0005","21.9549","0.0008","50.9472","0.0018","90","","90","","90","","17140","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C143 H121 Cl6 Cu4 N17 O44 -","- C143 H121 Cl6 Cu4 N17 O44 -","- C572 H484 Cl24 Cu16 N68 O176 -","4","1","","Daniel L. Reger; Jacob Horger; Mark D. Smith","Copper(II) carboxylate tetramers formed from an enantiopure ligand containing a p-stacking supramolecular synthon: single-crystal to single-crystal enantioselective ligand exchange","Chem.Commun.","2011","47","","2805","","10.1039/c0cc04797j","","","0.71073","MoKα","","0.051","0.0433","","","0.1007","0.1038","","","","","","1.041","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106045","15.1091","0.0008","21.4458","0.0012","52.381","0.003","90","","90","","90","","16972.8","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C153 H133 Cu4 N17 O52 -","- C153 H129 Cu4 N17 O52 -","- C612 H516 Cu16 N68 O208 -","4","1","","Daniel L. Reger; Jacob Horger; Mark D. Smith","Copper(II) carboxylate tetramers formed from an enantiopure ligand containing a p-stacking supramolecular synthon: single-crystal to single-crystal enantioselective ligand exchange","Chem.Commun.","2011","47","","2805","","10.1039/c0cc04797j","","","0.71073","MoKα","","0.1534","0.0866","","","0.194","0.222","","","","","","0.846","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106046","15.1728","0.0015","21.67","0.002","52.697","0.005","90","","90","","90","","17326","3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C138 H103 Cu4 N17 O43 -","- C138 H102 Cu4 N17 O43 -","- C552 H408 Cu16 N68 O172 -","4","1","","Daniel L. Reger; Jacob Horger; Mark D. Smith","Copper(II) carboxylate tetramers formed from an enantiopure ligand containing a p-stacking supramolecular synthon: single-crystal to single-crystal enantioselective ligand exchange","Chem.Commun.","2011","47","","2805","","10.1039/c0cc04797j","","","0.71073","MoKα","","0.1232","0.0782","","","0.166","0.1814","","","","","","0.879","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106047","10.898","0.003","22.742","0.007","7.482","0.002","90","","106.178","0.004","90","","1780.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O3 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","","Tao He; Xutang Tao; Jia Yang; Dan Guo; Haibing Xia; Jiong Jia; Minhua Jiang","Aggregation-Induced Emission Enhancement of Polycyclic Aromatic Alkaloids Derivatives and the Crucial Role of Excited-State Proton- Transfer","Chem.Commun.","2011","47","","2907","","10.1039/c0cc04827e","","","0.71073","MoKα","","0.1929","0.0772","","","0.202","0.2666","","","","","","1.018","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7106048","28.779","0.007","8.917","0.002","42.307","0.01","90","","93.479","0.003","90","","10837","4","90","","90","","","","","","","","","7","C 1 2 1","C 2y","5","(LZn3La(OAc)3(solv))_0.5CHCl3","","","- C49 H52.5 Cl1.5 La N6 O19 Zn3 -","- C49 H52.5 Cl1.5 La N6 O19 Zn3 -","- C392 H420 Cl12 La8 N48 O152 Zn24 -","8","2","","Shigehisa Akine; Sayaka Hotate; Takashi Matsumoto; Tatsuya Nabeshima","Spontaneous enrichment of one-handed helix by dissolution of quasiracemic crystals of a tetranuclear single helical complex","Chem.Commun.","2011","47","","2925","","10.1039/c0cc04998k","","","0.71073","MoKα","","0.1652","0.0838","","","0.1605","0.1979","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106049","25.433","0.001","31.146","0.002","20.939","0.001","90","","90","","90","","16586.5","1.5","291","2","291","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C132 H96 Cu7 I3 N12 S8 W2 -","- C132 H96 Cu7 I3 N12 S8 W2 -","- C528 H384 Cu28 I12 N48 S32 W8 -","4","1","","Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng","[WS4Cu3I2]- and [WS4Cu4]2+ Secondary Building Units Formed Metal-Organic Framework: Large Tubes in Highly Interpenetrated System","Chem.Commun.","2011","47","","2919","","10.1039/c0cc05015f","","","0.71073","MoKα","","0.0733","0.0575","","","0.1175","0.1214","","","","","","1.082","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106050","21.007","0.006","21.431","0.003","24.366","0.005","90","","114.479","0.016","90","","9984","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C110 H91 Ir4 N21 -","- C110 H91 Ir4 N21 -","- C440 H364 Ir16 N84 -","4","0.5","","Etienne Baranoff; Enrico Orselli; Lionel Allouche; Davide Di Censo; Rosario Scopelliti; Michael Gratzel; Md. Khaja Nazeeruddin","A bright tetranuclear iridium(III) complex","Chem.Commun.","2011","47","","2799","","10.1039/c0cc05029f","","","0.71073","MoKα","","0.1403","0.098","","","0.2388","0.2877","","","","","","1.107","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106051","10.0358","0.0006","15.9728","0.0009","21.559","0.0012","98.333","0.005","93.782","0.005","107.759","0.005","3234.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H61 Cu3 N5 O27 -","- C37 H21 Cu3 N3 O15 -","- C74 H42 Cu6 N6 O30 -","2","1","","Lian-Xu Shi; Chuan-De Wu","A nanoporous metal-organic framework with accessible Cu2+ sites for catalytic Henry reaction","Chem.Commun.","2011","47","","2928","","10.1039/c0cc05074a","","","1.54178","CuKα","","0.0949","0.0573","","","0.1272","0.1343","","","","","","0.959","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106052","9.9506","0.0007","15.6823","0.0018","21.5","0.002","100.072","0.009","93.06","0.007","106.834","0.008","3142.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cu3 N4 O14 -","- C44 H31 Cu3 N4 O14 -","- C88 H62 Cu6 N8 O28 -","2","1","","Lian-Xu Shi; Chuan-De Wu","A nanoporous metal-organic framework with accessible Cu2+ sites for catalytic Henry reaction","Chem.Commun.","2011","47","","2928","","10.1039/c0cc05074a","","","1.54178","CuKα","","0.1731","0.1221","","","0.2661","0.2836","","","","","","1.058","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106053","6.8197","0.0006","8.5461","0.001","11.1542","0.0013","101.646","0.002","106.212","0.002","98.949","0.001","595.66","0.11","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Cu F12 N8 O2 P2 -","- C16 H16 Cu F12 N8 O2 P2 -","- C16 H16 Cu F12 N8 O2 P2 -","1","0.5","","Bin Liu; Yin Zhang; Daichao Xu; Wanzhi Chen","Facile Synthesis of Metal N-Heterocyclic Carbene Complexes","Chem.Commun.","2011","47","","2883","","10.1039/c0cc05260d","","","0.71073","MoKα","","0.0519","0.0421","","","0.1083","0.117","","","","","","1.06","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106054","25.351","0.002","6.8638","0.0007","11.9093","0.0011","90","","105.551","0.002","90","","1996.4","0.3","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cu F6 N8 P -","- C16 H16 Cu F6 N8 P -","- C64 H64 Cu4 F24 N32 P4 -","4","0.5","","Bin Liu; Yin Zhang; Daichao Xu; Wanzhi Chen","Facile Synthesis of Metal N-Heterocyclic Carbene Complexes","Chem.Commun.","2011","47","","2883","","10.1039/c0cc05260d","","","0.71073","MoKα","","0.0799","0.0638","","","0.1791","0.1994","","","","","","1.056","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106055","14.1414","0.0017","14.2973","0.0018","14.795","0.002","82.063","0.002","62.22","0.001","66.558","0.001","2424","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H30 Cu3 F18 N12 P3 -","- C39 H30 Cu3 F18 N12 P3 -","- C78 H60 Cu6 F36 N24 P6 -","2","1","","Bin Liu; Yin Zhang; Daichao Xu; Wanzhi Chen","Facile Synthesis of Metal N-Heterocyclic Carbene Complexes","Chem.Commun.","2011","47","","2883","","10.1039/c0cc05260d","","","0.71073","MoKα","","0.0854","0.0464","","","0.1088","0.1242","","","","","","0.94","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106056","14.1189","0.0014","17.77","0.002","12.6099","0.0013","90","","105.422","0.002","90","","3049.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F12 Fe N10 P2 -","- C20 H22 F12 Fe N10 P2 -","- C80 H88 F48 Fe4 N40 P8 -","4","1","","Bin Liu; Yin Zhang; Daichao Xu; Wanzhi Chen","Facile Synthesis of Metal N-Heterocyclic Carbene Complexes","Chem.Commun.","2011","47","","2883","","10.1039/c0cc05260d","","","0.71073","MoKα","","0.1104","0.0695","","","0.1834","0.2239","","","","","","1.023","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106057","12.9083","0.0013","17.3384","0.0017","15.139","0.0015","90","","90","","90","","3388.2","0.6","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 F12 Fe N10 P2 -","- C30 H26 F12 Fe N10 P2 -","- C120 H104 F48 Fe4 N40 P8 -","4","0.5","","Bin Liu; Yin Zhang; Daichao Xu; Wanzhi Chen","Facile Synthesis of Metal N-Heterocyclic Carbene Complexes","Chem.Commun.","2011","47","","2883","","10.1039/c0cc05260d","","","0.71073","MoKα","","0.1753","0.1025","","","0.2595","0.367","","","","","","1.106","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106058","9.67","0.0019","12.62","0.003","17.4","0.004","99.94","0.03","100.94","0.03","110.39","0.03","1887.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 F12 Fe N11 P2 -","- C30 H26 F12 Fe N10 P2 -","- C60 H52 F24 Fe2 N20 P4 -","2","1","","Bin Liu; Yin Zhang; Daichao Xu; Wanzhi Chen","Facile Synthesis of Metal N-Heterocyclic Carbene Complexes","Chem.Commun.","2011","47","","2883","","10.1039/c0cc05260d","","","0.71073","MoKα","","0.1615","0.1144","","","0.3355","0.3609","","","","","","1.159","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106059","20.2501","0.0007","20.7455","0.0008","23.6214","0.0009","90","","90","","90","","9923.3","0.6","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H49.5 Ag2 B2 F8 N2 O5 P2 -","- C46.5 H49.5 Ag2 B2 F8 N2 O5 P2 -","- C372 H396 Ag16 B16 F64 N16 O40 P16 -","8","2","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0694","0.0516","","","0.1236","0.1343","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106060","49.1113","0.0018","15.7929","0.0006","18.8454","0.0007","90","","94.213","0.002","90","","14577.2","0.9","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C119 H117.5 Ag5 Cl18 N10 O20 P5 -","- C119 H117.5 Ag5 Cl18 N10 O20 P5 -","- C476 H470 Ag20 Cl72 N40 O80 P20 -","4","1","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0614","0.0483","","","0.1308","0.1376","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106061","26.5223","0.0008","17.2451","0.0008","11.0171","0.0004","90","","90.708","0.002","90","","5038.6","0.3","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C53 H52 Ag2 F6 N2 O6 P2 -","- C53 H52 Ag2 F6 N2 O6 P2 -","- C212 H208 Ag8 F24 N8 O24 P8 -","4","1","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0472","0.0315","","","0.0673","0.0744","","","","","","1.041","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106062","9.6784","0.0005","24.331","0.0013","8.8933","0.0004","90","","90","","90","","2094.24","0.18","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H20 Ag Cl N O P -","- C22 H20 Ag Cl N O P -","- C88 H80 Ag4 Cl4 N4 O4 P4 -","4","1","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0561","0.0364","","","0.0666","0.0732","","","","","","1.054","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106063","17.596","0.0012","18.9475","0.0012","14.378","0.0009","90","","90","","90","","4793.6","0.5","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C45 H40 Ag F3 N2 O6 P2 S -","- C45 H40 Ag F3 N2 O6 P2 S -","- C180 H160 Ag4 F12 N8 O24 P8 S4 -","4","0.5","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0775","0.0518","","","0.1069","0.1148","","","","","","1.01","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106064","16.147","0.003","10.51","0.002","19.719","0.004","90","","93.087","0.003","90","","3341.6","1.1","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 B N6 O3 Re S3 -","- C33 H28 B N6 O3 Re S3 -","- C132 H112 B4 N24 O12 Re4 S12 -","4","1","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0399","0.0266","","","0.0538","0.0581","","","","","","1.015","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106065","15.5893","0.0014","15.5893","0.0014","19.0929","0.0014","90","","90","","120","","4018.4","0.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H22 B N6 O6 Re -","- C27 H22 B N6 O6 Re -","- C162 H132 B6 N36 O36 Re6 -","6","0.333333","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0187","0.0167","","","0.041","0.0418","","","","","","1.063","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106066","11.027","0.002","11.171","0.002","11.536","0.002","85.955","0.003","78.386","0.003","74.761","0.003","1342.8","0.4","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H46 B2 Cl6 Co N12 O6 -","- C50 H46 B2 Cl6 Co N12 O6 -","- C50 H46 B2 Cl6 Co N12 O6 -","1","0.5","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.152","0.0637","","","0.14","0.1701","","","","","","1","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106067","16.242","0.002","16.242","0.002","9.4661","0.0014","90","","90","","120","","2162.6","0.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C39 H52 B Cl3 N6 O3 Zr -","- C21 H34 B Cl3 N6 O3 Zr -","- C42 H68 B2 Cl6 N12 O6 Zr2 -","2","0.333333","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0607","0.0436","","","0.1087","0.1139","","","","","","1.093","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106068","10.0122","0.0017","12.326","0.002","15.991","0.003","69.229","0.002","72.82","0.002","71.988","0.002","1716.1","0.5","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H33 B Cl2 N6 O3 Zr -","- C35 H33 B Cl2 N6 O3 Zr -","- C70 H66 B2 Cl4 N12 O6 Zr2 -","2","1","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0939","0.0483","","","0.0798","0.0922","","","","","","1.002","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106069","11.4131","0.0007","18.4005","0.0011","13.6761","0.0008","90","","92.856","0.001","90","","2868.5","0.3","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Co O12 P3 Re -","- C20 H35 Co O12 P3 Re -","- C80 H140 Co4 O48 P12 Re4 -","4","1","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0694","0.0355","","","0.0601","0.0686","","","","","","1.001","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106070","13.7551","0.0009","14.9081","0.001","15.2676","0.001","82.323","0.001","89.771","0.001","81.621","0.001","3069.2","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 B N6 Na O6 -","- C30 H36 B N6 Na O6 -","- C120 H144 B4 N24 Na4 O24 -","4","2","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0832","0.0456","","","0.1134","0.1341","","","","","","1.048","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106071","10.357","0.003","10.9","0.003","12.135","0.004","104.306","0.005","92.511","0.005","108.015","0.005","1251.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H68 B2 N12 Na2 O6 -","- C42 H68 B2 N12 Na2 O6 -","- C42 H68 B2 N12 Na2 O6 -","1","0.5","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.1517","0.0568","","","0.0784","0.0932","","","","","","1.092","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106072","12.2165","0.0013","6.1075","0.0006","10.7386","0.0011","90","","96.338","0.002","90","","796.33","0.14","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 N2 O -","- C7 H14 N2 O -","- C28 H56 N8 O4 -","4","1","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0655","0.0473","","","0.1277","0.142","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106073","34.381","0.013","16.553","0.006","11.073","0.004","90","","96.783","0.006","90","","6258","4","125","2","125","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 B2 N12 Na2 O3 S6 -","- C60 H68 B2 N12 Na2 O3 S6 -","- C240 H272 B8 N48 Na8 O12 S24 -","4","0.5","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.1018","0.0482","","","0.099","0.1176","","","","","","1.012","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106074","9.765","0.007","11.496","0.008","13.698","0.009","87.906","0.01","69.479","0.01","72.277","0.01","1367.5","1.6","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H46 B2 Cl6 Fe N12 O6 -","- C50 H46 B2 Cl6 Fe N12 O6 -","- C50 H46 B2 Cl6 Fe N12 O6 -","1","0.5","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.1569","0.067","","","0.1219","0.1527","","","","","","1","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106075","16.131","0.002","16.131","0.002","9.6857","0.0014","90","","90","","120","","2182.7","0.5","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C42 H52 B N6 O6 Re -","- C42 H52 B N6 O6 Re -","- C84 H104 B2 N12 O12 Re2 -","2","0.333333","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0822","0.0363","","","0.0586","0.0714","","","","","","1.131","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106076","9.361","0.005","11.221","0.007","17.165","0.013","96.785","0.011","103.212","0.011","113.522","0.008","1564.5","1.8","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H50 B2 Cl6 I2 N12 O6 Zn2 -","- C51 H50 B2 Cl6 I2 N12 O6 Zn2 -","- C51 H50 B2 Cl6 I2 N12 O6 Zn2 -","1","0.5","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.1108","0.052","","","0.1122","0.1335","","","","","","1.009","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106077","15.611","0.003","12.966","0.003","15.764","0.004","90","","103.384","0.004","90","","3104.2","1.2","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 B Cl6 N6 O3 Zr -","- C25 H23 B Cl6 N6 O3 Zr -","- C100 H92 B4 Cl24 N24 O12 Zr4 -","4","1","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.1321","0.0544","","","0.0837","0.1052","","","","","","1.002","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106078","13.663","0.002","18.329","0.003","22.173","0.004","67.204","0.003","88.26","0.004","86.712","0.003","5110.4","1.5","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C198 H258 Mn9 N18 O48 -","- C198 H239 Mn9 N18 O48 -","- C198 H239 Mn9 N18 O48 -","1","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Yong Cui","Nano- and microcrystals of a Mn-based metal–oligomer framework showing size-dependent magnetic resonance behaviors","Chem.Commun.","2011","47","","3180","","10.1039/c0cc03981k","","","0.71073","MoKα","","0.1085","0.0835","","","0.2038","0.2203","","","","","","1.051","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106079","21.907","0.004","25.058","0.005","22.196","0.004","90","0.0005","108.637","0.0005","90","0.0005","11545","4","173","","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C119 H116 N8 Ni -","- C119 H116 N8 Ni -","- C476 H464 N32 Ni4 -","4","1","","Shimizu, Soji; Zhu, Hua; Kobayashi, Nagao","Azepiphthalocyanine—an unprecedented large twist of a π-conjugation system upon core-modification with a seven-membered ring unit","Chemical Communications (Cambridge, United Kingdom)","2011","47","11","3072","3072","10.1039/c0cc05276k","","","0.7107","MoKα","","0.1178","0.0989","","","0.255","0.2695","","","","","","1.163","","","","has coordinates,has disorder","218736","2020-10-21","18:00:00",""
"7106080","13.222","0.0012","22.045","0.002","22.708","0.002","84.881","0.002","80.521","0.002","79.599","0.002","6409.2","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H266 Mn14 N14 Na4 O255 W48 -","- C12 Mn14 N6 Na4 O227 W48 -","- C12 Mn14 N6 Na4 O227 W48 -","1","0.5","","Xikui Fang Marshall Luban","{Mn14W48} Aggregagte: the Perspective of Isopolyanions as Ligands l oop_","Chem.Commun.","2011","47","","3066","","10.1039/c0cc04403b","","","0.71073","MoKα","","0.1324","0.0662","","","0.1296","0.1552","","","","","","1.022","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106081","26.247","0.006","4.9783","0.0011","26.853","0.006","90","","113.635","0.004","90","","3214.4","1.3","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C21 H16 N3 -","- C21 H16 N3 -","- C168 H128 N24 -","8","1","","Bin Yan; Jordan Cramen; Robert McDonald; Natia L. Frank","Ferromagnetic Spin-Delocalized Electron Donors for Multifunctional Materials: p-Conjugated Benzotriazinyl Radicals","Chem.Commun.","2011","47","","3201","","10.1039/c0cc04727a","","","0.71073","MoKα","","0.1073","0.0594","","","0.1563","0.1883","","","","","","1.023","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106082","16.5376","0.0018","13.7569","0.0015","22.82","0.003","90","","93.7888","0.0018","90","","5180.3","1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-bromophenyl)-3-(3-vinylphenyl)-1,2,4-benzotriazin-4(1H)-yl radical","","- C21 H15 Br N3 -","- C21 H15 Br N3 -","- C252 H180 Br12 N36 -","12","3","","Bin Yan; Jordan Cramen; Robert McDonald; Natia L. Frank","Ferromagnetic Spin-Delocalized Electron Donors for Multifunctional Materials: p-Conjugated Benzotriazinyl Radicals","Chem.Commun.","2011","47","","3201","","10.1039/c0cc04727a","","","0.71073","MoKα","","0.0772","0.0425","","","0.1014","0.1198","","","","","","1.005","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106083","10.862","0.003","12.933","0.004","21.592","0.006","102.376","0.005","96.12","0.006","100.964","0.005","2874.1","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Arsenidecluster","","","- C40 H80 As7 K2 N4 O13 -","- C40 H80 As7 K2 N4 O13 -","- C80 H160 As14 K4 N8 O26 -","2","1","","Sukhendu Mandal; Ran Liu; Arthur C. Reber; Meichun Qian; Hector M. Saavedra; Xianglin Ke; Peter Schiffer; Saikat Sen; Paul S. Weiss; Shiv N. Khanna; Ayusman Sen","The Zintl ion [As7]2?: an example of an electron-deficient Asx radical anion","Chem.Commun.","2011","47","","3126","","10.1039/c0cc03219k","","","0.71073","MoKα","","0.0817","0.0534","","","0.1163","0.128","","","","","","0.984","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106084","13.245","0.003","16.006","0.003","29.949","0.006","90","","93.84","0.03","90","","6335","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 Ir N4 -","- C39 H35 Ir N4 -","- C312 H280 Ir8 N32 -","8","1","","Tai Peng; Yu Yang; Yu Liu; Dongge Ma; Zhaomin Hou; Yue Wang","A phosphorescent material with high and balanced carrier mobility for efficient OLEDs","Chem.Commun.","2011","47","","3150","","10.1039/c0cc04684a","","","0.71073","MoKα","","0.0492","0.0373","","","0.0627","0.0661","","","","","","1.022","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106085","10.465","0.002","10.914","0.002","14.783","0.003","97.85","0.03","102.09","0.03","103.01","0.03","1578.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 F4 Ir N4 -","- C35 H31 F4 Ir N4 -","- C70 H62 F8 Ir2 N8 -","2","1","","Tai Peng; Yu Yang; Yu Liu; Dongge Ma; Zhaomin Hou; Yue Wang","A phosphorescent material with high and balanced carrier mobility for efficient OLEDs","Chem.Commun.","2011","47","","3150","","10.1039/c0cc04684a","","","0.71073","MoKα","","0.0439","0.0358","","","0.0911","0.1006","","","","","","1.13","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106086","7.3334","0.0003","17.1511","0.0006","17.5542","0.0007","90","","101.515","0.004","90","","2163.46","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","","Jing Wang; Jinjin Wang; Yuanxun Zhu; Ping Lu; Yan-Guang Wang","Copper-cascade catalysis: synthesis of 3-functionalized indoles","Chem.Commun.","2011","47","","3275","","10.1039/c0cc04922k","","","1.54184","CuKα","","0.0742","0.0431","","","0.1058","0.1206","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106087","12.0185","0.0004","12.579","0.0005","14.3185","0.0005","90","","98.13","0.003","90","","2142.93","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","","Jing Wang; Jinjin Wang; Yuanxun Zhu; Ping Lu; Yan-Guang Wang","Copper-cascade catalysis: synthesis of 3-functionalized indoles","Chem.Commun.","2011","47","","3275","","10.1039/c0cc04922k","","","0.71073","MoKα","","0.0649","0.0401","","","0.1022","0.1093","","","","","","0.98","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7106088","19.0044","0.0004","25.7833","0.0006","16.0565","0.0003","90","","96.26","0.001","90","","7820.7","0.3","123","","123","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C44 H28 F6 Ir N4 O2 P -","- C40 H28 F6 Ir N4 O2 P -","- C320 H224 F48 Ir8 N32 O16 P8 -","8","1","","Ruben D. Costa; Enrique Orti; Henk J. Bolink; Stefan Graber; Catherine E. Housecroft; Edwin C. Constable","Light-emitting electrochemical cells based on a supramolecularly-caged phenanthroline-based iridium complex","Chem.Commun.","2011","47","","3207","","10.1039/c0cc05084a","","","0.71073","MoKα","","0.0415","0.0254","","0.0387","0.0292","0.0292","","","","","","1.0214","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106089","9.851","0.002","11.505","0.002","20.416","0.004","75.61","0.03","77.34","0.03","72.54","0.03","2111.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H45 Cl2 Fe N3 -","- C50 H45 Cl2 Fe N3 -","- C100 H90 Cl4 Fe2 N6 -","2","1","","Jiangang Yu; Wenjuan Zhang; Hao Liu; Xiang Hao; Wen-Hua Sun","Access to highly active and thermally stable iron procatalysts using bulky 2-[1-(2,6-dibenzhydryl-4-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridine ligands","Chem.Commun.","2011","47","","3257","","10.1039/c0cc05373b","","","0.71073","MoKα","","","0.0682","","","0.1623","0.1775","","","","","","1.214","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106090","16.461","0.003","14.946","0.003","18.995","0.004","90","","90.1","0.03","90","","4673.3","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H53 Cl2 Fe N3 O0 -","- C54 H53 Cl2 Fe N3 -","- C216 H212 Cl8 Fe4 N12 -","4","1","","Jiangang Yu; Wenjuan Zhang; Hao Liu; Xiang Hao; Wen-Hua Sun","Access to highly active and thermally stable iron procatalysts using bulky 2-[1-(2,6-dibenzhydryl-4-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridine ligands","Chem.Commun.","2011","47","","3257","","10.1039/c0cc05373b","","","0.71073","MoKα","","0.1802","0.1568","","","0.3231","0.3416","","","","","","1.409","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106091","13.245","0.003","16.82","0.003","24.704","0.005","82.54","0.03","80.94","0.03","88.01","0.03","5388","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H102 Cl4 Fe2 N6 -","- C106 H102 Cl4 Fe2 N6 -","- C212 H204 Cl8 Fe4 N12 -","2","1","","Jiangang Yu; Wenjuan Zhang; Hao Liu; Xiang Hao; Wen-Hua Sun","Access to highly active and thermally stable iron procatalysts using bulky 2-[1-(2,6-dibenzhydryl-4-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridine ligands","Chem.Commun.","2011","47","","3257","","10.1039/c0cc05373b","","","0.71073","MoKα","","0.131","0.097","","","0.2424","0.2625","","","","","","1.028","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106092","16.9781","0.0002","17.7089","0.0003","32.9662","0.0004","90","","90","","90","","9911.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C70 H158 N6 O28 V10 -","- C70 H158 N6 O28 V10 -","- C280 H632 N24 O112 V40 -","4","1","","Johannes Forster; Benedikt Rosner; Marat M. Khusniyarov; Carsten Streb","Tuning the light absorption of a molecular vanadium oxide system for enhanced photooxidation performance","Chem.Commun.","2011","47","","3114","","10.1039/c0cc05536k","","","0.71073","MoKα","","0.0598","0.0432","","","0.1002","0.1087","","","","","","1.043","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106093","18.4325","0.0017","17.0098","0.0017","49.509","0.003","90","","97.192","0.007","90","","15401","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H252 N7 O40 V15 -","- C112 N7 O40 V15 -","- C448 N28 O160 V60 -","4","1","","Johannes Forster; Benedikt Rosner; Marat M. Khusniyarov; Carsten Streb","Tuning the light absorption of a molecular vanadium oxide system for enhanced photooxidation performance","Chem.Commun.","2011","47","","3114","","10.1039/c0cc05536k","","","0.71073","MoKα","","0.093","0.0692","","","0.1896","0.2069","","","","","","1.008","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106094","10.108","0.003","11.423","0.003","17.53","0.005","90","","98.999","0.004","90","","1999.2","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Al4 N8 -","- C36 H44 Al4 N8 -","- C72 H88 Al8 N16 -","2","0.5","","Ernesto Rufino-Felipe; Miguel-Angel Munoz-Hernandez","Steric control of conformation in self-assembly metallacalix[4]arenes derived from AlMe3 or GaMe3 with benzimidazolyl ligands","Chem.Commun.","2011","47","","3210","","10.1039/c0cc05438k","","","0.71073","MoKα","","0.1078","0.0695","","","0.1676","0.2014","","","","","","1.042","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106095","10.101","0.003","11.384","0.004","17.487","0.006","90","","98.261","0.01","90","","1990","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Ga4 N8 -","- C36 H44 Ga4 N8 -","- C72 H88 Ga8 N16 -","2","0.5","","Ernesto Rufino-Felipe; Miguel-Angel Munoz-Hernandez","Steric control of conformation in self-assembly metallacalix[4]arenes derived from AlMe3 or GaMe3 with benzimidazolyl ligands","Chem.Commun.","2011","47","","3210","","10.1039/c0cc05438k","","","0.71073","MoKα","","0.0699","0.0451","","","0.0862","0.0951","","","","","","1.045","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106096","16.646","0.0018","16.646","0.0018","12.909","0.002","90","","90","","90","","3576.9","0.8","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C76 H88 Al4 N8 -","- C76 H88 Al4 N8 -","- C152 H176 Al8 N16 -","2","0.25","","Ernesto Rufino-Felipe; Miguel-Angel Munoz-Hernandez","Steric control of conformation in self-assembly metallacalix[4]arenes derived from AlMe3 or GaMe3 with benzimidazolyl ligands","Chem.Commun.","2011","47","","3210","","10.1039/c0cc05438k","","","0.71073","MoKα","","0.0441","0.039","","","0.093","0.0963","","","","","","1.061","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106097","16.8104","0.0015","16.8104","0.0015","13.0585","0.0016","90","","90","","90","","3690.2","0.6","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C76 H88 Ga4 N8 -","- C76 H88 Ga4 N8 -","- C152 H176 Ga8 N16 -","2","0.25","","Ernesto Rufino-Felipe; Miguel-Angel Munoz-Hernandez","Steric control of conformation in self-assembly metallacalix[4]arenes derived from AlMe3 or GaMe3 with benzimidazolyl ligands","Chem.Commun.","2011","47","","3210","","10.1039/c0cc05438k","","","0.71073","MoKα","","0.0244","0.0228","","","0.0563","0.0567","","","","","","1.045","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106098","6.157","0.003","19.22","0.008","9.096","0.004","90","","95.386","0.006","90","","1071.6","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","09099c","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Srinivas Tekkam; M. A. Alam; Subash C. Jonnalagadda; Venkatram R. Mereddy","Novel methodologies for the synthesis of functionalized pyroglutamates","Chem.Commun.","2011","47","","3219","","10.1039/c0cc05609j","","","0.71073","MoKα","","0.0644","0.0522","","","0.134","0.1436","","","","","","1.076","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106099","7.586","0.0005","7.837","0.0006","13.2647","0.0009","82.232","0.001","86.577","0.001","78.36","0.001","764.87","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","10098","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Srinivas Tekkam; M. A. Alam; Subash C. Jonnalagadda; Venkatram R. Mereddy","Novel methodologies for the synthesis of functionalized pyroglutamates","Chem.Commun.","2011","47","","3219","","10.1039/c0cc05609j","","","0.71073","MoKα","","0.0518","0.04","","","0.1003","0.1075","","","","","","1.055","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106100","8.4398","0.0011","10.1347","0.0013","13.0478","0.0017","94.817","0.002","107.229","0.002","109.137","0.002","986.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","10102a","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Srinivas Tekkam; M. A. Alam; Subash C. Jonnalagadda; Venkatram R. Mereddy","Novel methodologies for the synthesis of functionalized pyroglutamates","Chem.Commun.","2011","47","","3219","","10.1039/c0cc05609j","","","0.71073","MoKα","","0.0874","0.051","","","0.0975","0.1078","","","","","","1.023","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106101","25.729","0.004","25.729","0.004","25.729","0.004","90","","90","","90","","17032","5","150","2","150","2","","","","","","","Ross Inglis","5","I 2 3","I 2 2 3","197","","","","- C58 H69 Mn9 N6 O28.5 -","- C57.99 H68.97 Mn9 N6 O28.51 -","- C463.92 H551.76 Mn72 N48 O228.08 -","8","0.333333","","Ross Inglis; Fraser White; Stergios Piligkos; Wolfgang Wernsdorfer; Euan K. Brechin; Giannis S. Papaefstathiou","Chiral single-molecule magnets: a partial Mn(III) supertetrahedron from achiral components","Chem.Commun.","2011","47","","3090","","10.1039/c0cc05750a","","","0.71073","MoKα","","0.0682","0.0509","","","0.1255","0.1312","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106102","9.571","0.0001","15.534","0.0008","16.336","0.0006","90","","122.09","0.002","90","","2057.69","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tiazole","tiazole","","- C22 H21 N5 O2 S -","- C22 H21 N5 O2 S -","- C88 H84 N20 O8 S4 -","4","1","","Kyoung Chul Ko; Jia-Sheng Wu; Hyun Jung Kim; Pil Seung Kwon; Jong Wan Kim; Richard A. Bartsch; Jin Yong Lee; Jong Seung Kim","Rationally designed fluorescence ""turn-on"" sensor for Cu2+","Chem.Commun.","2011","47","","3165","","10.1039/c0cc05421f","","","0.71073","MoKα","","0.1448","0.1157","","","0.2421","0.2559","","","","","","1.222","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106103","39.054","0.004","10.6105","0.0007","28.611","0.003","90","","133.018","0.002","90","","8668.3","1.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C89 H138 N6 O4 Yb2 -","- C89 H138 N6 O4 Yb2 -","- C356 H552 N24 O16 Yb8 -","4","0.5","","Zhu Du; Hui Zhou; Haisheng Yao; Yong Zhang; Yingming Yao; Qi Shen","The First Bridged Lanthanide Carbene Complex Formed through Reduction of Carbodiimide by amine Bis(phenolate )Ytterbium(II) Complex and Its Reactivity to Phenylisocyanate","Chem.Commun.","2011","47","","3595","","10.1039/c0cc04504g","","","0.7107","MoKα","","0.0361","0.0307","","","0.0611","0.0634","","","","","","1.137","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106104","57.606","0.004","16.958","0.001","24.9846","0.0018","90","","109.757","0.002","90","","22970","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C241 H334 N14 O16 Yb4 -","- C241 H326 N14 O16 Yb4 -","- C964 H1304 N56 O64 Yb16 -","4","0.5","","Zhu Du; Hui Zhou; Haisheng Yao; Yong Zhang; Yingming Yao; Qi Shen","The First Bridged Lanthanide Carbene Complex Formed through Reduction of Carbodiimide by amine Bis(phenolate )Ytterbium(II) Complex and Its Reactivity to Phenylisocyanate","Chem.Commun.","2011","47","","3595","","10.1039/c0cc04504g","","","0.7107","MoKα","","0.1164","0.0866","","","0.1751","0.1896","","","","","","1.126","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106105","10.0023","0.0019","10.691","0.002","16.123","0.003","91.893","0.003","96.746","0.004","115.175","0.005","1542.9","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H37 N5 O5 -","- C33 H37 N5 O5 -","- C66 H74 N10 O10 -","2","1","","Zhu Du; Hui Zhou; Haisheng Yao; Yong Zhang; Yingming Yao; Qi Shen","The First Bridged Lanthanide Carbene Complex Formed through Reduction of Carbodiimide by amine Bis(phenolate )Ytterbium(II) Complex and Its Reactivity to Phenylisocyanate","Chem.Commun.","2011","47","","3595","","10.1039/c0cc04504g","","","0.71075","MoKα","","0.1487","0.0915","","","0.2491","0.2864","","","","","","1.032","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106106","11.2164","0.0004","13.3376","0.0005","18.9472","0.0007","83.895","0.001","89.499","0.001","76.898","0.001","2744.71","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C136 H144 N16 -","8","4","","Robin B. Bedford; Natalie Fey; Mairi F. Haddow; Rosalind F. Sankey","Remarkably reactive dihydroindoloindoles via palladium-catalysed dearomatisation","Chem.Commun.","2011","47","","3649","","10.1039/c0cc05033d","","","0.71073","MoKα","","0.0507","0.0419","","","0.1081","0.115","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106107","23.3998","0.0016","8.7381","0.0007","14.9479","0.001","90","","123.196","0.004","90","","2557.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","1","","Robin B. Bedford; Natalie Fey; Mairi F. Haddow; Rosalind F. Sankey","Remarkably reactive dihydroindoloindoles via palladium-catalysed dearomatisation","Chem.Commun.","2011","47","","3649","","10.1039/c0cc05033d","","","0.71073","MoKα","","0.0778","0.0429","","","0.0892","0.105","","","","","","1.01","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106108","14.445","0.003","16.454","0.003","16.977","0.003","67.62","0.03","73.33","0.03","86.05","0.03","3570.6","1.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H55 Cl12 N12 O11.5 -","- C62.01 H52.03 Cl12 N12 O11.5 -","- C124.02 H104.06 Cl24 N24 O23 -","2","1","","Jorg M. Klein; Vittorio Saggiomo; Lisa Reck; Mary McPartlin; G. Dan Pantos; Ulrich Luning; Jeremy K. M. Sanders","A remarkably flexible and selective receptor for Ba2+ amplified from a hydrazone dynamic combinatorial library","Chem.Commun.","2011","47","","3371","","10.1039/c0cc04863a","","","0.71073","MoKα","","0.0833","0.0749","","","0.192","0.1992","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106109","13.392","0.0013","16.61","0.0017","24.535","0.002","90","","98.78","0.01","90","","5393.6","0.9","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H30 Cl2 N4 Pt -","- C28.5 H30 Cl2 N4 Pt -","- C228 H240 Cl16 N32 Pt8 -","8","2","","Anthony Yiu-Yan Tam; Daniel Ping-Kuen Tsang; Mei-Yee Chan; Nianyong Zhu; Vivian Wing-Wah Yam","A luminescent cyclometalated platinum(II) complex and its green organic light emitting device with high device performance","Chem.Commun.","2011","47","","3383","","10.1039/c0cc05538g","","","0.71073","MoKα","","0.039","0.0264","","","0.0641","0.0706","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106110","7.686","0.004","6.722","0.003","18.277","0.009","90","","93.998","0.008","90","","942","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C44 H38 N2 O6 S2 -","2","1","","Paul MacLellan; Jonathan Clayden","Enantioselective synthesis of tertiary thiols by intramolecular arylation of lithiated thiocarbamates","Chem.Commun.","2011","47","","3395","","10.1039/c0cc04912c","","","0.71073","MoKα","","0.0618","0.0576","","","0.1236","0.125","","","","","","1.223","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106111","8.825","0.006","9.598","0.007","12.295","0.009","88.156","0.01","70.934","0.009","63.004","0.008","868.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 F3 N3 O4 -","- C18 H13 F3 N3 O4 -","- C36 H26 F6 N6 O8 -","2","1","","Jiechao Xu; Jiamei Wei; Jiaping Zhang; Wenwen Zhao; Jie Chen; Hongmei Deng; Min Shao; Xiaoyu Wu; Hui Zhang; Weiguo Cao","First one-pot stereoselective synthesis of cis-2,3-dihydro-4-perfluoroalkyl-1H-1,5-benzodiazepines via a catalyst-free three-component reaction","Chem.Commun.","2011","47","","3607","","10.1039/c0cc05039c","","","0.71073","MoKα","","0.0858","0.0721","","","0.2149","0.2275","","","","","","1.085","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106112","16.5371","0.0006","7.5131","0.0003","20.9885","0.0006","90","","128.903","0.002","90","","2029.35","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Ir N2 -","- C23 H28 Cl Ir N2 -","- C92 H112 Cl4 Ir4 N8 -","4","1","","Jean-Pierre Djukic; Wissam Iali; Michel Pfeffer; Xavier-Frederic Le Goff","Charge-induced facial-selectivity in the formation of new cationic planar chiral iridacycles derived from aniline","Chem.Commun.","2011","47","","3631","","10.1039/c0cc05711h","","","0.71073","MoKα","","0.0278","0.0231","","","0.0504","0.0523","","","","","","1.136","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106113","13.019","0.001","20.09","0.001","17.132","0.001","90","","108.824","0.001","90","","4241.2","0.5","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H49 Cl F12 Ir2 N2 O P2 -","- C36 H49 Cl F12 Ir2 N2 O P2 -","- C144 H196 Cl4 F48 Ir8 N8 O4 P8 -","4","1","","Jean-Pierre Djukic; Wissam Iali; Michel Pfeffer; Xavier-Frederic Le Goff","Charge-induced facial-selectivity in the formation of new cationic planar chiral iridacycles derived from aniline","Chem.Commun.","2011","47","","3631","","10.1039/c0cc05711h","","","0.71069","MoKα","","0.0696","0.044","","","0.1077","0.1312","","","","","","0.99","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106114","8.671","0.001","13.989","0.001","28.862","0.001","90","","105.194","0.002","90","","3378.5","0.5","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 Cl F6 Ir N2 P Ru -","- C33 H43 Cl F6 Ir N2 P Ru -","- C132 H172 Cl4 F24 Ir4 N8 P4 Ru4 -","4","1","","Jean-Pierre Djukic; Wissam Iali; Michel Pfeffer; Xavier-Frederic Le Goff","Charge-induced facial-selectivity in the formation of new cationic planar chiral iridacycles derived from aniline","Chem.Commun.","2011","47","","3631","","10.1039/c0cc05711h","","","0.71069","MoKα","","0.0444","0.0314","","","0.0704","0.0739","","","","","","1.023","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106115","10.649","0.001","15.812","0.001","21.131","0.001","90","","107.397","0.003","90","","3395.3","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cl Cr Ir N2 O4 -","- C33 H42 Cl Cr Ir N2 O4 -","- C132 H168 Cl4 Cr4 Ir4 N8 O16 -","4","1","","Jean-Pierre Djukic; Wissam Iali; Michel Pfeffer; Xavier-Frederic Le Goff","Charge-induced facial-selectivity in the formation of new cationic planar chiral iridacycles derived from aniline","Chem.Commun.","2011","47","","3631","","10.1039/c0cc05711h","","","0.71069","MoKα","","0.0883","0.0495","","","0.0624","0.0729","","","","","","1.127","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106116","20.0011","0.0005","24.3395","0.0006","16.1163","0.0004","90","","115.903","0.001","90","","7057.5","0.3","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 F6 N2 P4 -","- C38 H32 F6 N2 P4 -","- C304 H256 F48 N16 P32 -","8","1","","Gregory S. Day; Baofei Pan; Daniel L. Kellenberger; Bruce M. Foxman; Christine M. Thomas","Guilty as charged: non-innocent behavior by a pincer ligand featuring a central cationic phosphenium donor","Chem.Commun.","2011","47","","3634","","10.1039/c0cc05739h","","","0.71073","MoKα","","0.0502","0.0449","","0.1062","0.1038","0.1062","","","","","","0.9854","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7106117","11.9962","0.0005","15.9208","0.0007","25.0428","0.001","90","","90","","90","","4782.9","0.3","120","","120","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 Ag Cl F3 N2 O5 P3 S -","- C47 H48 Ag Cl F3 N2 O5 P3 S -","- C188 H192 Ag4 Cl4 F12 N8 O20 P12 S4 -","4","1","","Gregory S. Day; Baofei Pan; Daniel L. Kellenberger; Bruce M. Foxman; Christine M. Thomas","Guilty as charged: non-innocent behavior by a pincer ligand featuring a central cationic phosphenium donor","Chem.Commun.","2011","47","","3634","","10.1039/c0cc05739h","","","0.71073","MoKα","","0.0582","0.042","","0.1126","0.0968","0.1126","","","","","","0.9531","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7106118","12.5297","0.0007","13.4232","0.0007","22.7095","0.0013","90","","96.303","0.002","90","","3796.4","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 F6 N2 P4 Pt -","- C38 H32 Cl2 F6 N2 P4 Pt -","- C152 H128 Cl8 F24 N8 P16 Pt4 -","4","1","","Gregory S. Day; Baofei Pan; Daniel L. Kellenberger; Bruce M. Foxman; Christine M. Thomas","Guilty as charged: non-innocent behavior by a pincer ligand featuring a central cationic phosphenium donor","Chem.Commun.","2011","47","","3634","","10.1039/c0cc05739h","","","0.71073","MoKα","","0.0227","0.0182","","0.0455","0.0435","0.0455","","","","","","0.9891","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106119","8.457","0.0017","23.015","0.005","26.227","0.005","71.39","0.03","88.55","0.03","88.32","0.03","4835.1","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl2 Cu N5 O10 -","- C30 H29 Cl2 Cu N5 O10 -","- C180 H174 Cl12 Cu6 N30 O60 -","6","3","","Jun feng Zhang; Minsung Park; WenXiu Ren; Youngmee Kim; Sung-Jin Kim; Jong Hwa Jung; Jong Seung Kim","A pellet-type optical nanomaterial of silica-based naphthalimide-DPA-Cu(II) complexes: recyclable fluorescence detection of pyrophosphate with high sensitivity","Chem.Commun.","2011","47","","3568","","10.1039/c1cc00021g","","","0.71073","MoKα","","0.4893","0.1256","","","0.2695","0.3846","","","","","","0.635","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106120","21.7967","0.0016","10.8375","0.0008","6.2825","0.0005","90","","90","","90","","1484.06","0.19","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C10 H10 Bi N11 -","- C10 H10 Bi N11 -","- C40 H40 Bi4 N44 -","4","0.5","","Stephan Schulz; Benjamin Lyhs; Georg Jansen; Dieter Blaser; Christoph Wolper","Syntheses and Structures of Triazides of Heavy Group 15 Elements","Chem.Commun.","2011","47","","3401","","10.1039/c1cc10237k","","","0.71073","MoKα","","0.0138","0.0126","","","0.0284","0.0287","","","","","","1.114","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106121","6.6694","0.0006","6.9045","0.0006","7.0314","0.0006","83.651","0.005","65.85","0.005","83.595","0.005","292.85","0.05","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- N9 Sb -","- N9 Sb -","- N18 Sb2 -","2","1","","Stephan Schulz; Benjamin Lyhs; Georg Jansen; Dieter Blaser; Christoph Wolper","Syntheses and Structures of Triazides of Heavy Group 15 Elements","Chem.Commun.","2011","47","","3401","","10.1039/c1cc10237k","","","0.71073","MoKα","","0.0303","0.0254","","","0.0622","0.0639","","","","","","1.12","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106122","7.332","0.005","9.916","0.006","11.832","0.007","67.278","0.008","80.572","0.009","72.566","0.008","755.9","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N14 Ni3 O14.18 -","- C20 H24 N14 Ni3 O14.18 -","- C20 H24 N14 Ni3 O14.18 -","1","0.5","","Kyriakos C. Stylianou; John E. Warren; Samantha Y. Chong; Jeremy Rabone; John Bacsa; Darren Bradshaw; Matthew J. Rosseinsky","CO2 Selectivity of a 1D Microporous Adenine-Based Metal Organic Framework Synthesised in Water","Chem.Commun.","2011","47","","3389","","10.1039/c0cc05559j","","x-ray","0.6939","Synchrotron","","0.0937","0.0493","","","0.1122","0.1218","","","","","","0.936","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106123","7.5481","0.0002","11.2104","0.0003","16.1242","0.0004","96.788","0.001","103.125","0.001","90.992","0.001","1318.05","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 I6 N2 O7 Ru -","- C15 H12 I6 N2 O7 Ru -","- C30 H24 I12 N4 O14 Ru2 -","2","1","","Matti Tuikka; Mika Niskanen; Pipsa Hirva; Kari Rissanen; Arto Valkonen; Matti Haukka","Concerted halogen and hydrogen bonding in [RuI2(H2dcbpy)(CO)2]I2(CH3OH)I2[RuI2(H2dcbpy)(CO)2]","Chem.Commun.","2011","47","","3427","","10.1039/c0cc05726f","","","0.71073","MoKα","","0.0238","0.0187","","","0.0401","0.0416","","","","","","1.069","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106124","10.4764","0.0004","8.4739","0.0003","17.5527","0.0008","90","","102.944","0.002","90","","1518.66","0.11","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Santosh J. Gharpure; A. M. Sathiyanarayanan","Stereoselective synthesis of oxazino [4,3-a]indoles employing oxa-Pictet-Spengler reaction of indoles bearing N-tethered vinylogous caronate","Chem.Commun.","2011","47","","3625","","10.1039/c0cc05558a","","","0.71073","MoKα","","0.1076","0.0562","","","0.1533","0.1851","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106125","6.0511","0.0001","14.5244","0.0005","14.0584","0.0005","90","","100.186","0.002","90","","1216.1","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Santosh J. Gharpure; A. M. Sathiyanarayanan","Stereoselective synthesis of oxazino [4,3-a]indoles employing oxa-Pictet-Spengler reaction of indoles bearing N-tethered vinylogous caronate","Chem.Commun.","2011","47","","3625","","10.1039/c0cc05558a","","","0.71073","MoKα","","0.0749","0.044","","","0.1207","0.1434","","","","","","0.901","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106126","19.2521","0.0011","35.962","0.002","18.2585","0.001","90","","109.193","0.002","90","","11938.5","1.2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H17 Cl N2 O Pd -","- C14 H17 Cl N2 O Pd -","- C448 H544 Cl32 N64 O32 Pd32 -","32","16","","Beatrice Braun Irmgard Kalf Ulli Englert","One of the most complex “small molecule structures” ever reported: 16 independent molecules in the asymmetric unit for an ortho-palladated primary amine","Chem.Commun.","2011","47","","3846","","10.1039/c0cc05208f","","","0.71073","MoKα","","0.1036","0.0672","","","0.1498","0.1626","","","","","","1.04","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106127","23.953","0.006","18.108","0.004","18.062","0.004","90","","124.506","0.004","90","","6456","3","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18.5 Cl N2.5 O Pd -","- C15 H18.5 Cl N2.5 O Pd -","- C240 H296 Cl16 N40 O16 Pd16 -","16","2","","Beatrice Braun Irmgard Kalf Ulli Englert","One of the most complex “small molecule structures” ever reported: 16 independent molecules in the asymmetric unit for an ortho-palladated primary amine","Chem.Commun.","2011","47","","3846","","10.1039/c0cc05208f","","","0.71073","MoKα","","0.0449","0.0319","","","0.0658","0.0701","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106128","24.411","0.0015","18.5331","0.0012","18.4012","0.0012","90","","125.286","0.001","90","","6795.5","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18.5 I N2.5 O Pd -","- C15 H18.5 I N2.5 O Pd -","- C240 H296 I16 N40 O16 Pd16 -","16","2","","Beatrice Braun Irmgard Kalf Ulli Englert","One of the most complex “small molecule structures” ever reported: 16 independent molecules in the asymmetric unit for an ortho-palladated primary amine","Chem.Commun.","2011","47","","3846","","10.1039/c0cc05208f","","","0.71073","MoKα","","0.0337","0.0263","","","0.0587","0.0611","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106129","18.4879","0.0006","34.8299","0.0011","20.2362","0.001","90","","102.86","0.004","90","","12703.9","0.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C210 H162 Ag6 F36 N6 P12 Sb6 -","- C210 H162 Ag6 F36 N6 P12 Sb6 -","- C420 H324 Ag12 F72 N12 P24 Sb12 -","2","0.5","","Xiaobing Wang; Jing Huang; Shenglin Xiang; Yu Liu; Jianyong Zhang; Andreas Eichhofer; Dieter Fenske; Shi Bai; Cheng-Yong Su","Discrete Ag6L6 coordination nanotubular structures based on a T-shaped pyridyl diphosphine","Chem.Commun.","2011","47","","3849","","10.1039/c0cc05235c","","","1.54178","CuKα","","0.155","0.1116","","","0.2544","0.2789","","","","","","1.022","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106130","11.3131","0.0006","21.514","0.0009","18.1697","0.0008","90","","90.95","0.005","90","","4421.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 Ag2 F6 N O6 P2 -","- C43 H39 Ag2 F6 N O6 P2 -","- C172 H156 Ag8 F24 N4 O24 P8 -","4","1","","Xiaobing Wang; Jing Huang; Shenglin Xiang; Yu Liu; Jianyong Zhang; Andreas Eichhofer; Dieter Fenske; Shi Bai; Cheng-Yong Su","Discrete Ag6L6 coordination nanotubular structures based on a T-shaped pyridyl diphosphine","Chem.Commun.","2011","47","","3849","","10.1039/c0cc05235c","","","0.71073","MoKα","","0.1311","0.0766","","","0.2011","0.2182","","","","","","1.03","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106131","10.6348","0.0005","24.7251","0.0011","19.4535","0.001","90","","103.775","0.005","90","","4968.1","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Ag2 Cl3 N O6 P2 S2 -","- C50 H42 Ag2 Cl3 N O6 P2 S2 -","- C200 H168 Ag8 Cl12 N4 O24 P8 S8 -","4","1","","Xiaobing Wang; Jing Huang; Shenglin Xiang; Yu Liu; Jianyong Zhang; Andreas Eichhofer; Dieter Fenske; Shi Bai; Cheng-Yong Su","Discrete Ag6L6 coordination nanotubular structures based on a T-shaped pyridyl diphosphine","Chem.Commun.","2011","47","","3849","3851","10.1039/c0cc05235c","","","1.54178","CuKα","","0.0831","0.055","","","0.1651","0.1789","","","","","","1.088","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106132","8.405","0.005","10.293","0.004","17.812","0.008","90","","104.582","0.019","90","","1491.3","1.3","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cu N2 O7 -","- C14 H8 Cu N2 O7 -","- C56 H32 Cu4 N8 O28 -","4","1","","Man-Sheng Chen; Min Chen; Satoshi Takamizawa; Taka-aki Okamura; Jian Fan; Wei-Yin Sun","Single-crystal-to-single-crystal transformations and selective adsorption of porous copper(II) frameworks","Chem.Commun.","2011","47","","3787","","10.1039/c0cc04689b","","","0.71075","MoKα","","","0.0477","","","","0.1381","","","","","","1.09","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106133","8.4048","0.0012","10.2379","0.0015","17.7707","0.0018","90","","104.405","0.005","90","","1481.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cu N2 O7 -","- C14 H8 Cu N2 O7 -","- C56 H32 Cu4 N8 O28 -","4","1","","Man-Sheng Chen; Min Chen; Satoshi Takamizawa; Taka-aki Okamura; Jian Fan; Wei-Yin Sun","Single-crystal-to-single-crystal transformations and selective adsorption of porous copper(II) frameworks","Chem.Commun.","2011","47","","3787","","10.1039/c0cc04689b","","","0.71073","MoKα","","0.0622","0.0501","","","0.1277","0.1335","","","","","","1.062","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106134","8.497","0.005","10.296","0.004","17.749","0.007","90","","104.624","0.018","90","","1502.5","1.2","453","1","453","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C56 H32 Cu4 N8 O20 -","4","1","","Man-Sheng Chen; Min Chen; Satoshi Takamizawa; Taka-aki Okamura; Jian Fan; Wei-Yin Sun","Single-crystal-to-single-crystal transformations and selective adsorption of porous copper(II) frameworks","Chem.Commun.","2011","47","","3787","","10.1039/c0cc04689b","","","0.71075","MoKα","","0.0513","0.0424","","","0.1087","0.1145","","","","","","1.032","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106135","8.4283","0.0011","10.2553","0.0013","17.8159","0.0018","90","","104.408","0.005","90","","1491.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cu N2 O6 -","- C15 H8 Cu N2 O6 -","- C60 H32 Cu4 N8 O24 -","4","1","","Man-Sheng Chen; Min Chen; Satoshi Takamizawa; Taka-aki Okamura; Jian Fan; Wei-Yin Sun","Single-crystal-to-single-crystal transformations and selective adsorption of porous copper(II) frameworks","Chem.Commun.","2011","47","","3787","","10.1039/c0cc04689b","","","0.71073","MoKα","","0.1321","0.1262","","","0.2813","0.2841","","","","","","1.336","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106136","13.6358","0.0016","16.053","0.0018","20.741","0.002","100.093","0.002","90.703","0.002","101.961","0.002","4367.2","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Tin-tungstosilicate","","","- K22 O188 Si4 Sn8 W36 -","- K22 O188 Si4 Sn8 W36 -","- K22 O188 Si4 Sn8 W36 -","1","0.5","","Zhenyu Zhang; Qipu Lin; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","A Novel Sandwich-Type Polyoxometalate Compound: K11H[Sn4(SiW9O34)2]*25H2O with Visible Light Photocatalytic H2 Evolution Activity","Chem.Commun.","2011","47","","3918","","10.1039/c0cc04697c","","","0.71073","MoKα","","0.0768","0.0584","","","0.1504","0.1581","","","","","","0.997","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106137","12.616","0.003","25.145","0.005","12.892","0.003","90","","108.88","0.03","90","","3869.7","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H92 N8 O4 Zn2 -","- C84 H92 N8 O4 Zn2 -","- C168 H184 N16 O8 Zn4 -","2","1","","Xiaobing Xi; Taiwei Dong; Gao Li; Yong Cui","Controlled structures of a 1D chiral metallosalen polymer by photo- and solvent-induced partial depolymerization","Chem.Commun.","2011","47","","3831","","10.1039/c0cc05128d","","","0.71073","MoKα","","0.1458","0.0744","","","0.125","0.1501","","","","","","1.019","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106138","17.428","0.004","13.517","0.003","17.588","0.004","90","","100.24","0.03","90","","4077.3","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H100 N8 O6 Zn2 -","- C86 H100 N8 O6 Zn2 -","- C172 H200 N16 O12 Zn4 -","2","1","","Xiaobing Xi; Taiwei Dong; Gao Li; Yong Cui","Controlled structures of a 1D chiral metallosalen polymer by photo- and solvent-induced partial depolymerization","Chem.Commun.","2011","47","","3831","","10.1039/c0cc05128d","","","0.71073","MoKα","","0.1286","0.072","","","0.1859","0.2292","","","","","","1.065","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106139","6.9541","0.0006","9.935","0.001","14.552","0.001","84.396","0.008","80.834","0.008","82.115","0.008","980.2","0.15","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H23 B Cu F4 N5 O0.5 -","- C17 H22 B Cu F4 N5 O0.5 -","- C34 H44 B2 Cu2 F8 N10 O -","2","1","","Marta Aguado Tetilla; M. Carla Aragoni; Massimiliano Arca; Claudia Caltagirone; Carla Bazzicalupi; Andrea Bencini; Alessandra Garau; Francesco Isaia; Antonio Laguna; Vito Lippolis; Valeria Meli","Colorimetric response to anions by a “robust” copper(II) complex of a [9]aneN3 pendant arm derivative: CN? and I? selective sensing","Chem.Commun.","2011","47","","3805","","10.1039/c0cc04500d","","","0.71073","MoKα","","0.1213","0.0673","","","0.1507","0.1667","","","","","","0.91","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106140","15.858","0.001","7.8424","0.0004","31.456","0.002","90","","90","","90","","3912","0.4","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H22 Cu I2 N4 -","- C16 H22 Cu I2 N4 -","- C128 H176 Cu8 I16 N32 -","8","2","","Marta Aguado Tetilla; M. Carla Aragoni; Massimiliano Arca; Claudia Caltagirone; Carla Bazzicalupi; Andrea Bencini; Alessandra Garau; Francesco Isaia; Antonio Laguna; Vito Lippolis; Valeria Meli","Colorimetric response to anions by a “robust” copper(II) complex of a [9]aneN3 pendant arm derivative: CN? and I? selective sensing","Chem.Commun.","2011","47","","3805","","10.1039/c0cc04500d","","","0.71073","MoKα","","0.127","0.0509","","","0.0845","0.0975","","","","","","0.763","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106141","16.527","0.003","16.527","0.003","27.868","0.006","90","","90","","90","","7612","3","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C86 H82 N6 Ni O12 -","- C86 H82 N6 Ni O12 -","- C344 H328 N24 Ni4 O48 -","4","0.5","","Zhenzhen Dong; Shi Bai; Glenn P. A. Yap; Joseph M. Fox","Interplay between the diamine structure and absolute helicity in Ni–salen metallofoldamers","Chem.Commun.","2011","47","","3781","","10.1039/c0cc04794e","","","0.71073","MoKα","","0.1141","0.0664","","","0.175","0.2354","","","","","","1.061","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106142","25.807","0.005","29.405","0.006","19.637","0.004","90","","90","","90","","14902","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H30 N4 O18 Zn3 -","- C32 H30 N4 O18 Zn3 -","- C512 H480 N64 O288 Zn48 -","16","1","","Wen-Juan Ji; Quan-Guo Zhai; Shu-Ni Li; Yu-Cheng Jiang; Man-Cheng Hu","The first ionothermal synthesis of a 3D ferroelectric metal–organic framework with colossal dielectric constant","Chem.Commun.","2011","47","","3834","","10.1039/c0cc04890a","","","0.71073","MoKα","","0.083","0.0762","","","0.1922","0.1984","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106143","5.7219","0.0001","14.5983","0.0004","15.3184","0.0004","90","","90","","90","","1279.55","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","","Juae Han; Soyeong Kang; Hyeon-Kyu Lee","Dynamic Kinetic Resolution in the Stereoselective Synthesis of 4,5-Diaryl Cyclic Sulfamidates by Using Chiral Rhodium-Catalyzed Asymmetric Transfer Hydrogenation","Chem.Commun.","2011","47","","4004","","10.1039/c0cc05289b","","","0.71073","MoKα","","0.0587","0.042","","","0.0979","0.1077","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106144","7.9977","0.0003","17.1647","0.0006","9.7786","0.0003","90","","94.152","0.002","90","","1338.86","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl N3 O4 S -","- C13 H8 Cl N3 O4 S -","- C52 H32 Cl4 N12 O16 S4 -","4","1","","Puja Prasad Imran Khan Pijus K. Sasmal Debasis Koley Paturu Kondaiah Akhil R. Chakravarty","Planar triazinium cations from VO2±assisted ring cyclizations: a remarkably efficient thiazole species for nuclear staining, PDT and anaerobic photocleavage of DNA","Chem.Commun.","2011","47","","3954","","10.1039/c0cc05386d","","","0.71073","MoKα","","0.0909","0.0466","","","0.1308","0.1688","","","","","","0.822","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106145","6.449","0.013","8.009","0.016","14","0.03","77.16","0.03","84.58","0.03","86.44","0.03","701","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C30 H20 Cl2 N6 O8 -","2","1","","Puja Prasad Imran Khan Pijus K. Sasmal Debasis Koley Paturu Kondaiah Akhil R. Chakravarty","Planar triazinium cations from VO2±assisted ring cyclizations: a remarkably efficient thiazole species for nuclear staining, PDT and anaerobic photocleavage of DNA","Chem.Commun.","2011","47","","3954","","10.1039/c0cc05386d","","","0.71073","MoKα","","0.1047","0.0976","","","0.3088","0.3247","","","","","","1.482","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106146","12.9731","0.0002","17.4492","0.0002","18.3033","0.0003","110.137","0.0006","95.378","0.0007","99.4374","0.0007","3786.61","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.5 H55 B2 F26.5 N P2 Rh -","- C69.5 H55 B2 F26.5 N P2 Rh -","- C139 H110 B4 F53 N2 P4 Rh2 -","2","1","","Romaeo Dallanegra Alasdair P. M. Robertson Adrian B. Chaplin Ian Manners Andrew S. Weller","Tuning the [L2RhH3B·NR3]+ interaction using phosphine bite angle. Demonstration by the catalytic formation of polyaminoboranes","Chem.Commun.","2011","47","","3763","","10.1039/c0cc05460g","","","0.71073","MoKα","","0.0629","0.0529","","","0.1455","0.1541","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106147","14.9418","0.0001","19.267","0.0002","25.1468","0.0002","90","","91.2143","0.0003","90","","7237.73","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H66 B2 F24 N P2 Rh -","- C69 H66 B2 F24 N P2 Rh -","- C276 H264 B8 F96 N4 P8 Rh4 -","4","1","","Romaeo Dallanegra Alasdair P. M. Robertson Adrian B. Chaplin Ian Manners Andrew S. Weller","Tuning the [L2RhH3B·NR3]+ interaction using phosphine bite angle. Demonstration by the catalytic formation of polyaminoboranes","Chem.Commun.","2011","47","","3763","","10.1039/c0cc05460g","","","0.71073","MoKα","","0.0553","0.0427","","","0.1007","0.1072","","","","","","1.025","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106148","12.5134","0.0002","13.5513","0.0002","19.5061","0.0004","105.839","0.0007","94.3128","0.0007","94.6952","0.0009","3154.98","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H43 B F25 P2 Rh -","- C65 H43 B F25 P2 Rh -","- C130 H86 B2 F50 P4 Rh2 -","2","1","","Romaeo Dallanegra Alasdair P. M. Robertson Adrian B. Chaplin Ian Manners Andrew S. Weller","Tuning the [L2RhH3B·NR3]+ interaction using phosphine bite angle. Demonstration by the catalytic formation of polyaminoboranes","Chem.Commun.","2011","47","","3763","","10.1039/c0cc05460g","","","0.71073","MoKα","","0.0578","0.0458","","","0.1061","0.1145","","","","","","1.02","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106149","10.2426","0.0006","19.6573","0.0015","36.846","0.003","90","","94.903","0.006","90","","7391.5","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 N3 Na O Zn -","- C36 H60 N3 Na O Zn -","- C288 H480 N24 Na8 O8 Zn8 -","8","2","","James J. Crawford; Ben J. Fleming; Alan R. Kennedy; Jan Klett; Charles T. O’Hara; Samantha A. Orr","Remote functionalisation via sodium alkylamidozincate intermediates: access to unusual fluorenone and pyridyl ketone reactivity patterns","Chem.Commun.","2011","47","","3772","","10.1039/c1cc10193e","","","0.71073","MoKα","","0.1366","0.0491","","","0.0801","0.091","","","","","","0.762","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106150","12.4016","0.0004","17.0724","0.0005","17.6812","0.0005","90","","92.959","0.003","90","","3738.56","0.19","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H61 N4 Na O Zn -","- C35 H61 N4 Na O Zn -","- C140 H244 N16 Na4 O4 Zn4 -","4","1","","James J. Crawford; Ben J. Fleming; Alan R. Kennedy; Jan Klett; Charles T. O’Hara; Samantha A. Orr","Remote functionalisation via sodium alkylamidozincate intermediates: access to unusual fluorenone and pyridyl ketone reactivity patterns","Chem.Commun.","2011","47","","3772","","10.1039/c1cc10193e","","","0.71073","MoKα","","0.0614","0.0353","","","0.0697","0.0733","","","","","","0.897","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106151","16.329","0.003","19.239","0.003","7.396","0.0012","90","","97.846","0.007","90","","2301.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cr Zr -","- C30 H36 Cr Zr -","- C120 H144 Cr4 Zr4 -","4","0.5","","Holger Braunschweig; Maria Friedrich; Thomas Kupfer; Krzysztof Radacki","Heteroleptic [1]Zirconametalloarenophanes: Potential Precursors to Metal-enriched Metallopolymers","Chem.Commun.","2011","47","","3998","","10.1039/c1cc10207a","","","0.71073","MoKα","","0.0272","0.0255","","","0.0693","0.0707","","","","","","1.045","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106152","16.78","0.005","19.128","0.005","7.402","0.002","90","","96.303","0.014","90","","2361.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cr Zr -","- C30 H36 Cr Zr -","- C120 H144 Cr4 Zr4 -","4","0.5","","Holger Braunschweig; Maria Friedrich; Thomas Kupfer; Krzysztof Radacki","Heteroleptic [1]Zirconametalloarenophanes: Potential Precursors to Metal-enriched Metallopolymers","Chem.Commun.","2011","47","","3998","","10.1039/c1cc10207a","","","0.71073","MoKα","","0.0506","0.0485","","","0.1016","0.1026","","","","","","1.129","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106153","16.367","0.007","19.183","0.008","7.386","0.003","90","","97.165","0.011","90","","2300.9","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 Mn Zr -","- C29 H35 Mn Zr -","- C116 H140 Mn4 Zr4 -","4","0.5","","Holger Braunschweig; Maria Friedrich; Thomas Kupfer; Krzysztof Radacki","Heteroleptic [1]Zirconametalloarenophanes: Potential Precursors to Metal-enriched Metallopolymers","Chem.Commun.","2011","47","","3998","","10.1039/c1cc10207a","","","0.71073","MoKα","","0.064","0.0599","","","0.1609","0.1643","","","","","","1.071","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106154","27.515","0.005","12.652","0.002","8.8516","0.0014","90","","102.852","0.009","90","","3004.2","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H40 B6 N8 -","- C27 H40 B6 N8 -","- C108 H160 B24 N32 -","4","0.5","","Xiaochen Xie; Mairi F. Haddow; Stephen M. Mansell; Nicholas C. Norman; Christopher A. Russell","New Polycyclic Borazine Species","Chem.Commun.","2011","47","","3748","","10.1039/c1cc10196j","","","1.54178","CuKα","","0.0731","0.0502","","","0.1223","0.1351","","","","","","1.028","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106155","13.4491","0.0004","9.6202","0.0003","31.1212","0.001","90","","90","","90","","4026.6","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H52 B6 N8 -","- C42 H52 B6 N8 -","- C168 H208 B24 N32 -","4","0.5","","Xiaochen Xie; Mairi F. Haddow; Stephen M. Mansell; Nicholas C. Norman; Christopher A. Russell","New Polycyclic Borazine Species","Chem.Commun.","2011","47","","3748","","10.1039/c1cc10196j","","","1.54178","CuKα","","0.0481","0.0453","","","0.1142","0.1161","","","","","","1.093","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106156","12.8216","0.0007","13.9708","0.0008","14.501","0.0008","90","","104.001","0.003","90","","2520.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 B2 N6 O2 -","- C26 H30 B2 N6 O2 -","- C104 H120 B8 N24 O8 -","4","1","","Xiaochen Xie; Mairi F. Haddow; Stephen M. Mansell; Nicholas C. Norman; Christopher A. Russell","New Polycyclic Borazine Species","Chem.Commun.","2011","47","","3748","","10.1039/c1cc10196j","","x-ray","0.71074","MoKα","","0.1112","0.0569","","","0.1655","0.2216","","","","","","1.022","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106157","11.9997","0.0008","12.1731","0.0009","14.0679","0.0013","94.107","0.006","104.802","0.005","119.494","0.003","1681","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 B6 N8 -","- C32 H44 B6 N8 -","- C64 H88 B12 N16 -","2","1","","Xiaochen Xie; Mairi F. Haddow; Stephen M. Mansell; Nicholas C. Norman; Christopher A. Russell","New Polycyclic Borazine Species","Chem.Commun.","2011","47","","3748","","10.1039/c1cc10196j","","","1.54178","CuKα","","0.0847","0.0676","","","0.1655","0.185","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106158","12.3105","0.0017","12.8395","0.0016","27.754","0.003","81.545","0.01","80.603","0.01","61.86","0.013","3804","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H106 Cl2 N3 O18 S Tb -","- C68 H106 Cl2 N3 O18 S Tb -","- C136 H212 Cl4 N6 O36 S2 Tb2 -","2","1","","Christopher R. Driscoll; Brodie L. Reid; Matthew J. McIldowie; Sara Muzzioli; Gareth L. Nealon; Brian W. Skelton; Stefano Stagni; David H. Brown; Massimiliano Massi; Mark I. Ogden","A plug-and-play approach to the preparation of transparent luminescent hybrid materials based on poly(methyl methacrylate), a calix[4]arene crosslinking agent and terbium ions","Chem.Commun.","2011","47","","3876","","10.1039/c0cc05570k","","","1.54178","CuKα","","0.1555","0.0778","","","0.1749","0.2074","","","","","","0.852","","","","has coordinates,has disorder","204136","2020-10-21","18:00:00",""
"7106159","23.3688","0.0011","23.3688","0.0011","8.5888","0.0002","90","","90","","120","","4062","0.3","293.1","","293.1","","","","","","","","","4","P 65","P 65","170","","","","- C22 H32 I O10.5 -","- C22 H32 I O10.5 -","- C132 H192 I6 O63 -","6","1","","Morifumi Fujita; Mikimasa Wakita; Takashi Sugimura","Enantioselective Prevost and Woodward reactions using chiral hypervalent iodine(III): switchover of stereochemical course of an optically active 1,3-dioxolan-2-yl cation","Chem.Commun.","2011","47","","3983","","10.1039/c1cc10129c","","","0.71069","MoKα","","","0.0517","","","","0.0577","","","","","","1.188","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106160","12.593","0.001","12.593","0.001","59.124","0.006","90","","90","","90","","9376.1","1.4","170","","170","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C54.5 H47 F6 N O2 P Pd Sb -","- C54.5 H47 F6 N O2 P Pd Sb -","- C436 H376 F48 N8 O16 P8 Pd8 Sb8 -","8","1","","Xavier Urbaneja; Audrey Mercier; Celine Besnard; Peter Kundig","Highly efficient desymmetrisation of a tricarbonylchromium 1,4-dibromonaphthalene complex by asymmetric Suzuki–Miyaura coupling","Chem.Commun.","2011","47","","3739","","10.1039/c1cc10347d","","","0.71073","MoKα","","0.0458","0.0435","","0.0965","0.0953","0.0965","","","","","","0.9205","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7106161","23.085","0.006","26.728","0.006","11.639","0.003","90","","90.199","0.006","90","","7181","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H94 Co3 N8 O18 -","- C68 H94 Co3 N8 O18 -","- C272 H376 Co12 N32 O72 -","4","0.5","","Bo Xu; Xi Lin; Zhangzhen He; Zujin Lin; Rong Cao","A Unique 2D-3D Polycatenation Cobalt(II)-Based Molecule Magnet Showing Coexistence of Paramagnetism and Canted Antiferromagnetism","Chem.Commun.","2011","47","","3766","","10.1039/c0cc05567k","","","0.71073","MoKα","","0.0523","0.0414","","","0.1052","0.113","","","","","","1.069","","","","has coordinates,has disorder","288183","2023-12-08","14:43:00",""
"7106162","8.4505","0.0006","6.8838","0.0005","17.806","0.0013","90","","101.79","0.002","90","","1013.95","0.13","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl2 N3 O5 S -","- C19 H17 Cl2 N3 O5 S -","- C38 H34 Cl4 N6 O10 S2 -","2","1","","Yan Zhang; Choon Wee Kee; Richmond Lee; Xiao Fu; Julian Ying-Teck Soh; Esther Mun Foong Loh; Kuo-Wei Huang; Choon-Hong Tan","Guanidine-Catalyzed Enantioselective Desymmetrization of meso-Aziridines","Chem.Commun.","2011","47","","3897","","10.1039/c0cc05840h","","","0.71073","MoKα","","0.0494","0.0459","","","0.116","0.1334","","","","","","1.141","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106163","9.3366","0.001","10.2792","0.0011","16.294","0.0017","105.126","0.002","101.706","0.002","99.829","0.002","1436.2","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 Cl2 N O6 S2 -","- C25 H31 Cl2 N O6 S2 -","- C50 H62 Cl4 N2 O12 S4 -","2","1","","Yan Zhang; Choon Wee Kee; Richmond Lee; Xiao Fu; Julian Ying-Teck Soh; Esther Mun Foong Loh; Kuo-Wei Huang; Choon-Hong Tan","Guanidine-Catalyzed Enantioselective Desymmetrization of meso-Aziridines","Chem.Commun.","2011","47","","3897","","10.1039/c0cc05840h","","","0.71073","MoKα","","0.0763","0.066","","","0.1672","0.18","","","","","","1.11","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106164","12.104","0.003","18.72","0.004","16.171","0.004","90","","92.131","0.006","90","","3661.6","1.5","121","2","121","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 Cl N2 O4 -","- C46 H37 Cl N2 O4 -","- C184 H148 Cl4 N8 O16 -","4","1","","Priya A. Mathew; Amie L. Williams; John C. Huffman; Jeffrey Johnston","Stereoselective synthesis of complex polycyclic aziridines: use of the Bronsted acid-catalyzed aza-Darzens reaction to prepare an orthogonally protected mitomycin C intermediate with maximal convergency","Chem.Commun.","2011","47","","3975","","10.1039/c0cc05734g","","","0.71073","MoKα","","0.2098","0.0489","","","0.0624","0.095","","","","","","0.617","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106165","11.549","0.003","15.63","0.004","13.138","0.004","90","","90.792","0.005","90","","2371.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 N O2.5 Si -","- C26 H33.5 N O2.5 Si -","- C104 H134 N4 O10 Si4 -","4","1","","Gilles Lemiere; Simon Sedehizadeh; Julie Toueg; Nadia Fleary-Roberts; Jonathan Clayden","A general synthetic approach to the amnesic shellfish toxins: total synthesis of (-)-isodomoic acid B, (-)-isodomoic acid E and (-)-isodomoic acid F","Chem.Commun.","2011","47","","3745","","10.1039/c1cc00048a","","","0.71073","MoKα","","0.0847","0.0491","","","0.0959","0.1058","","","","","","0.897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106166","15.6697","0.0006","15.6697","0.0006","12.4688","0.0004","90","","90","","120","","2651.41","0.17","110","2","110","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C4.18 H4 N2 S -","- C3.91667 H4 N2 S -","- C70.5 H72 N36 S18 -","18","0.5","","Benjamin Palmer; Benson Kariuki; Vamsee Muppidi; Colan Hughes; Kenneth Harris","An incommensurate thiourea inclusion compound","Chem.Commun.","2011","47","","3760","","10.1039/c0cc05477a","","","0.71073","MoKα","","0.0639","0.049","","","0.1303","0.1397","","","","","","1.127","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106167","11.575","0.003","7.6295","0.0019","21.699","0.006","90","","97.671","0.006","90","","1899.1","0.9","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","4-nitro-3,5-di(2,4-dichlorophenyl) cyclohexanone","","","- C18 H13 Cl4 N O3 -","- C18 Cl4 N O3 -","- C72 Cl16 N4 O12 -","4","2","","Bin Wu; Guo-Gui Liu; Mei-Qiu Li; Yong Zhang; Shao-Yun Zhang; Jun-Ru Qiu; Xiao-Ping Xu; Shun-Jun Ji; Xing-Wang Wang","Efficient synthesis of optically active 4-nitro-cyclohexanones via bifunctional thiourea-base catalyzed double-Michael addition of nitromethane to dienones","Chem.Commun.","2011","47","","3992","","10.1039/c0cc05418f","","","0.7107","MoKα","","","0.1503","","","","0.1494","","","","","","5.709","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106168","8.719","0.001","9.079","0.001","15.637","0.001","82.962","0.005","85.824","0.005","81.637","0.005","1213.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H34 Dy N4 Na O13 -","- C16 H24 Dy N4 Na O13 -","- C32 H48 Dy2 N8 Na2 O26 -","2","1","","Pierre-Emmanuel Car; Matteo Mannini; Mauro Perfetti; Annaick Favre; Andrea Caneschi; Roberta Sessoli","Giant field dependence of the low temperature relaxation of the magnetization in a dysprosium(III)–DOTA complex","Chem.Commun.","2011","47","","3751","","10.1039/c0cc05850e","","","0.71069","MoKα","","0.0782","0.0457","","","0.0857","0.0919","","","","","","0.91","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106169","12.657","0.0009","5.2425","0.0003","14.9418","0.001","90","","105.291","0.007","90","","956.35","0.11","294","2","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Cl N2 O2 -","- C22 H19 Cl N2 O2 -","- C44 H38 Cl2 N4 O4 -","2","1","","Jun Jiang; Yunfei Cai; Weiliang Chen; Lili Lin; Xiaohua Liu; Xiaoming Feng","Enantioselective aza-Micheal reaction of hydrazide to chalcones through the nonactivated amine moiety conjugated addition","Chem.Commun.","2011","47","","4016","","10.1039/c0cc05804a","","","0.7107","MoKα","","0.0638","0.0464","","","0.1065","0.1209","","","","","","1.045","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106170","20.8675","0.001","20.8675","0.001","10.567","0.0006","90","","90","","120","","3985","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C63 H48 Co3 N6 O9 -","- C63 H48 Co3 N6 O9 -","- C189 H144 Co9 N18 O27 -","3","0.333333","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0429","0.038","","","0.0788","0.0795","","","","","","2.172","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7106171","10.5708","0.0008","19.6592","0.0014","20.2109","0.0015","71.889","0.004","88.967","0.004","75.16","0.004","3850.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H48 Mn3 N6 O9 -","- C63 H48 Mn3 N6 O9 -","- C126 H96 Mn6 N12 O18 -","2","1","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0661","0.0504","","","0.0863","0.087","","","","","","2.775","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7106172","19.1063","0.0011","18.7848","0.0009","36.1295","0.0019","90","","90","","90","","12967.2","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C61 H45 N6 O7 Zn3 -","- C61 H45 N6 O7 Zn3 -","- C488 H360 N48 O56 Zn24 -","8","1","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0873","0.0519","","","0.0954","0.0967","","","","","","2.297","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7106173","18.9118","0.0005","19.0501","0.0005","36.0732","0.0009","90","","90","","90","","12996.2","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C61 H45 Cu3 N6 O7 -","- C61 H45 Cu3 N6 O7 -","- C488 H360 Cu24 N48 O56 -","8","1","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0691","0.0481","","","0.0898","0.0903","","","","","","2.988","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7106174","10.6327","0.0004","18.9722","0.0008","19.6009","0.0008","72.453","0.002","89.924","0.002","75.857","0.002","3644.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H48 Fe3 N6 O9 -","- C63 H48 Fe3 N6 O9 -","- C126 H96 Fe6 N12 O18 -","2","1","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0745","0.0576","","","0.1052","0.1058","","","","","","3.896","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7106175","20.7019","0.0009","20.7019","0.0009","10.6229","0.0006","90","","90","","120","","3942.7","0.3","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C63 H48 N6 Ni3 O9 -","- C63 H48 N6 Ni3 O9 -","- C189 H144 N18 Ni9 O27 -","3","0.333333","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0497","0.0443","","","0.069","0.0693","","","","","","2.887","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7106176","12.2894","0.0008","16.375","0.001","15.2554","0.001","90","","99.611","0.001","90","","3026.9","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Ag4 N8 -","- C24 H36 Ag4 N8 -","- C96 H144 Ag16 N32 -","4","1","","Jie-Peng Zhang; Xiao-Lin Qi; Chun-Ting He; Xiao-Ming Chen","Interweaving isomerism and isomerization of molecular chains","Chem.Commun.","2011","47","","4156","","10.1039/c1cc10365b","","","0.71073","MoKα","","0.0338","0.0304","","","0.0691","0.0714","","","","","","1.038","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106177","12.1005","0.0008","18.0915","0.0012","24.1686","0.0016","108.532","0.001","96.53","0.001","104.688","0.001","4742.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H108 Ag12 N24 -","- C72 H108 Ag12 N24 -","- C144 H216 Ag24 N48 -","2","1","","Jie-Peng Zhang; Xiao-Lin Qi; Chun-Ting He; Xiao-Ming Chen","Interweaving isomerism and isomerization of molecular chains","Chem.Commun.","2011","47","","4156","","10.1039/c1cc10365b","","","0.71073","MoKα","","0.0884","0.0547","","","0.1067","0.1228","","","","","","1.047","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106178","20.76","0.003","36.095","0.006","13.531","0.002","90","","90","","90","","10139","3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C84 H126 Ag14 N28 -","- C84 H126 Ag14 N28 -","- C336 H504 Ag56 N112 -","4","1","","Jie-Peng Zhang; Xiao-Lin Qi; Chun-Ting He; Xiao-Ming Chen","Interweaving isomerism and isomerization of molecular chains","Chem.Commun.","2011","47","","4156","","10.1039/c1cc10365b","","","0.71073","MoKα","","0.0951","0.0759","","","0.182","0.1962","","","","","","1.074","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106179","15.265","0.0006","23.9628","0.0009","18.4445","0.0007","90","","109.501","0.002","90","","6359.8","0.4","150","2","150","2","","","","","","","James Leeland","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Co N4 O5 -","- C35 H40 Co N4 O5 -","- C280 H320 Co8 N32 O40 -","8","2","","James W. Leeland; Fraser J. White; Jason B. Love","Hexagonal wheel formation through the hydrogen-bonded assembly of cobalt Pacman complexes","Chem.Commun.","2011","47","","4132","","10.1039/c0cc04883f","","","0.71073","MoKα","","0.0926","0.082","","","0.1837","0.1887","","","","","","1.226","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106180","46.262","0.002","46.262","0.002","8.3856","0.0003","90","","90","","120","","15542.2","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35 H46.33 Co N4 O8.67 -","- C35 H45 Co N4 O8 -","- C630 H810 Co18 N72 O144 -","18","1","","James W. Leeland; Fraser J. White; Jason B. Love","Hexagonal wheel formation through the hydrogen-bonded assembly of cobalt Pacman complexes","Chem.Commun.","2011","47","","4132","","10.1039/c0cc04883f","","","1.54184","CuKα","","0.0795","0.0669","","","0.1618","0.1669","","","","","","0.968","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106181","19.571","0.003","11.471","0.003","15.551","0.002","90","","96.408","0.014","90","","3469.4","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Co I N4 O6 -","- C35 H40 Co I N4 O6 -","- C140 H160 Co4 I4 N16 O24 -","4","1","","James W. Leeland; Fraser J. White; Jason B. Love","Hexagonal wheel formation through the hydrogen-bonded assembly of cobalt Pacman complexes","Chem.Commun.","2011","47","","4132","","10.1039/c0cc04883f","","","0.71073","MoKα","","0.1208","0.0692","","","0.2066","0.2714","","","","","","1.128","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106182","11.472","0.002","24.646","0.005","7.111","0.001","90","","93.28","0.03","90","","2007.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-bipyridyl:4-hydroxybenzoic acid co-crystal form 1","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","1","","Gautam R. Desiraju; Arijit Mukherjee","Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4?-bipyridine–4-hydroxybenzoic acid structural landscape","Chem.Commun.","2011","47","","4090","","10.1039/c0cc05857b","","","0.71073","MoKα","","0.0935","0.0632","","","0.1486","0.1827","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106183","13.983","0.002","11.6119","0.0019","13.524","0.002","90","","114.143","0.008","90","","2003.8","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,4'-bipyridyl:4-hydroxybenzoicacid form 2","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","0.5","","Gautam R. Desiraju; Arijit Mukherjee","Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4?-bipyridine–4-hydroxybenzoic acid structural landscape","Chem.Commun.","2011","47","","4090","","10.1039/c0cc05857b","","","0.71073","MoKα","","0.0427","0.0374","","","0.0989","0.1024","","","","","","1.06","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106184","7.702","0.003","9.503","0.005","16.765","0.005","84.074","0.007","77.313","0.007","67.731","0.007","1107.5","0.8","150","2","150","2","","","","","","","","4","P 1","P 1","1","4,4'-bipyridyl:4-hydroxybenzoicacid form 3","","","- C27 H22 N4 O3 -","- C27 H22 N4 O3 -","- C54 H44 N8 O6 -","2","2","","Gautam R. Desiraju; Arijit Mukherjee","Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4?-bipyridine–4-hydroxybenzoic acid structural landscape","Chem.Commun.","2011","47","","4090","","10.1039/c0cc05857b","","","0.71073","MoKα","","0.067","0.0524","","","0.1297","0.1398","","","","","","1.03","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106185","7.5084","0.0007","18.0404","0.0016","19.0238","0.0017","66.06","0.005","84.424","0.006","83.795","0.006","2337.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4phenylpyridine:4-hydroxybenzoicacid","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","2","","Gautam R. Desiraju; Arijit Mukherjee","Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4?-bipyridine–4-hydroxybenzoic acid structural landscape","Chem.Commun.","2011","47","","4090","","10.1039/c0cc05857b","","","0.71073","MoKα","","0.1188","0.061","","","0.1196","0.1402","","","","","","1.028","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106186","14.9443","0.0007","17.1237","0.0009","17.3069","0.0009","118.444","0.005","103.191","0.005","96.751","0.004","3656.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 Eu F9 N6 O21 S3 -","- C60 H60 Eu F9 N6 O21 S3 -","- C120 H120 Eu2 F18 N12 O42 S6 -","2","1","","Qing-Yuan Yang; Kang Li; Jian Luo; Mei Pan; Cheng-Yong Su","A simple topological identification method for highly (3,12)-connected 3D MOFs showing anion exchange and luminescent propertie","Chem.Commun.","2011","47","","4234","","10.1039/c0cc05464j","","","0.71073","MoKα","","0.1179","0.0874","","","0.2262","0.2355","","","","","","1.075","","","","has coordinates,has disorder","180165","2020-10-21","18:00:00",""
"7106187","14.9365","0.0008","17.1361","0.001","17.3016","0.0008","118.509","0.005","103.354","0.004","96.64","0.005","3651.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H76 F9 Gd N6 O22 S3 -","- C63 H66 F9 Gd N6 O22 S3 -","- C126 H132 F18 Gd2 N12 O44 S6 -","2","1","","Qing-Yuan Yang; Kang Li; Jian Luo; Mei Pan; Cheng-Yong Su","A simple topological identification method for highly (3,12)-connected 3D MOFs showing anion exchange and luminescent propertie","Chem.Commun.","2011","47","","4234","","10.1039/c0cc05464j","","","0.71073","MoKα","","0.0837","0.0589","","","0.1397","0.146","","","","","","1.028","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106188","8.1549","0.0006","19.2942","0.0014","16.7811","0.0012","90","","90.957","0.001","90","","2640","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H39 K O6 Si4 -","- C15 H39 K O6 Si4 -","- C60 H156 K4 O24 Si16 -","4","1","","Hui Li; Louisa J. Hope-Weeks; Clemens Krempner","A supramolecular approach to zwitterionic alkaline metal silanides and formation of heterobimetallic silanides","Chem.Commun.","2011","47","","4117","","10.1039/c1cc10148j","","","0.71073","MoKα","","0.0372","0.0286","","","0.0653","0.07","","","","","","0.992","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106189","34.56","0.002","9.6993","0.0007","17.1971","0.0012","90","","117.971","0.001","90","","5091.2","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H Li O6 Si4 -","- C15 H39 Li O6 Si4 -","- C120 H312 Li8 O48 Si32 -","8","1","","Hui Li; Louisa J. Hope-Weeks; Clemens Krempner","A supramolecular approach to zwitterionic alkaline metal silanides and formation of heterobimetallic silanides","Chem.Commun.","2011","47","","4117","","10.1039/c1cc10148j","","","0.71073","MoKα","","0.0401","0.0311","","","0.0728","0.0775","","","","","","1.036","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106190","15.6614","0.0018","9.8943","0.0012","17.206","0.002","90","","90","","90","","2666.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H Na O6 Si4 -","- C15 H39 Na O6 Si4 -","- C60 H156 Na4 O24 Si16 -","4","1","","Hui Li; Louisa J. Hope-Weeks; Clemens Krempner","A supramolecular approach to zwitterionic alkaline metal silanides and formation of heterobimetallic silanides","Chem.Commun.","2011","47","","4117","","10.1039/c1cc10148j","","","0.71073","MoKα","","0.0628","0.0351","","","0.0615","0.0666","","","","","","0.815","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106191","11.248","0.004","15.467","0.005","16.551","0.005","90","","90","","90","","2879.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H45 Na O6 Si4 -","- C18 H45 Na O6 Si4 -","- C72 H180 Na4 O24 Si16 -","4","1","","Hui Li; Louisa J. Hope-Weeks; Clemens Krempner","A supramolecular approach to zwitterionic alkaline metal silanides and formation of heterobimetallic silanides","Chem.Commun.","2011","47","","4117","","10.1039/c1cc10148j","","","0.71073","MoKα","","0.0548","0.0329","","","0.0573","0.061","","","","","","0.83","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106192","19.804","0.0003","8.1425","0.0001","17.4927","0.0003","90","","96.179","0.001","90","","2804.38","0.07","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H3 F10 P -","- C14 H3 F10 P -","- C112 H24 F80 P8 -","8","1","","Annika Stute; Gerald Kehr; Roland Frohlich; Gerhard Erker","Chemistry of a geminal frustrated Lewis pair featuring electron withdrawing C6F5 substituents at both phosphorus and boron","Chem.Commun.","2011","47","","4288","","10.1039/c1cc10241a","","","1.54178","CuKα","","0.0356","0.0342","","","0.0901","0.0916","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106193","24.3493","0.001","8.8572","0.0002","34.2513","0.0011","90","","92.683","0.003","90","","7378.8","0.4","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35.75 H14.5 B Cl1.5 F20 N O P -","- C35.75 H14.5 B Cl1.5 F20 N O P -","- C286 H116 B8 Cl12 F160 N8 O8 P8 -","8","1","","Annika Stute; Gerald Kehr; Roland Frohlich; Gerhard Erker","Chemistry of a geminal frustrated Lewis pair featuring electron withdrawing C6F5 substituents at both phosphorus and boron","Chem.Commun.","2011","47","","4288","","10.1039/c1cc10241a","","","1.54178","CuKα","","0.0857","0.0687","","","0.1846","0.202","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106194","9.794","0.0003","13.5562","0.0005","26.7495","0.0009","90","","97.441","0.002","90","","3521.6","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H17 B F20 N3 P -","- C36 H17 B F20 N3 P -","- C144 H68 B4 F80 N12 P4 -","4","1","","Annika Stute; Gerald Kehr; Roland Frohlich; Gerhard Erker","Chemistry of a geminal frustrated Lewis pair featuring electron withdrawing C6F5 substituents at both phosphorus and boron","Chem.Commun.","2011","47","","4288","","10.1039/c1cc10241a","","","1.54178","CuKα","","0.0574","0.0454","","","0.1181","0.1291","","","","","","1.013","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106195","13.0124","0.0002","14.2918","0.0002","23.7647","0.0003","95.155","0.008","101.758","0.006","115.984","0.005","3808","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Ag14 N30 O40 Si W12 -","- C20 H20 Ag14 N30 O40 Si W12 -","- C40 H40 Ag28 N60 O80 Si2 W24 -","2","1","","Xiaofei Kuang; Xiao-Yuan Wu; Jian Zhang; Can-Zhong Lu","Surface modification of polyoxometalate host–guest supramolecular architectures: from metal–organic pseudorotaxane framework to molecular box","Chem.Commun.","2011","47","","4150","","10.1039/c0cc05855f","","","0.71073","MoKα","","0.0925","0.0874","","","0.2825","0.2878","","","","","","1.015","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106196","10.5031","0.0004","24.5448","0.0008","12.4659","0.0005","90","","103.374","0.002","90","","3126.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Ag10 N24 O40 Si W12 -","- C16 H18 Ag10 N24 O40 Si W12 -","- C32 H36 Ag20 N48 O80 Si2 W24 -","2","0.5","","Xiaofei Kuang; Xiao-Yuan Wu; Jian Zhang; Can-Zhong Lu","Surface modification of polyoxometalate host–guest supramolecular architectures: from metal–organic pseudorotaxane framework to molecular box","Chem.Commun.","2011","47","","4150","","10.1039/c0cc05855f","","","0.71073","MoKα","","0.0976","0.0951","","","0.2979","0.2998","","","","","","1.076","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106197","11.487","0.0008","10.795","0.0005","17.421","0.0013","90","","101.575","0.005","90","","2116.3","0.2","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N -","- C30 H23 N -","- C120 H92 N4 -","4","1","","Kathrin Kutlescha; Gopaladasu T. Venkanna; Rhett Kempe","The potassium hydride mediated trimerization of imines","Chem.Commun.","2011","47","","4183","","10.1039/c0cc04565a","","","0.71069","MoKα","","0.0532","0.033","","","0.0703","0.0746","","","","","","0.912","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106198","9.295","0.0011","11.229","0.0015","13.23","0.0016","102.247","0.01","90.466","0.01","90.952","0.01","1349.2","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 K N O -","- C34 H30 K N O -","- C68 H60 K2 N2 O2 -","2","1","","Kathrin Kutlescha; Gopaladasu T. Venkanna; Rhett Kempe","The potassium hydride mediated trimerization of imines","Chem.Commun.","2011","47","","4183","","10.1039/c0cc04565a","","","0.71069","MoKα","","0.197","0.0561","","","0.0706","0.0989","","","","","","0.684","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106199","10.063","0.0008","15.98","0.0013","13.995","0.0012","90","","93.129","0.007","90","","2247.1","0.3","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N O -","- C31 H25 N O -","- C124 H100 N4 O4 -","4","1","","Kathrin Kutlescha; Gopaladasu T. Venkanna; Rhett Kempe","The potassium hydride mediated trimerization of imines","Chem.Commun.","2011","47","","4183","","10.1039/c0cc04565a","","","0.71069","MoKα","","0.1188","0.0534","","","0.0751","0.088","","","","","","0.908","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106200","11.0597","0.0008","29.913","0.002","9.2876","0.0007","90","","90","","90","","3072.6","0.4","93","2","93","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C33 H26 F6 N4 S2 -","- C33 H26 F6 N4 S2 -","- C132 H104 F24 N16 S8 -","4","0.5","","Masakazu Morimoto; Masahiro Irie","Photochemical control of dielectric properties based on intermolecular proton transfer in a hydrogen-bonded diarylethene crystal","Chem.Commun.","2011","47","","4186","","10.1039/c0cc05729k","","","0.71073","MoKα","","0.0602","0.0576","","","0.1496","0.1521","","","","","","1.102","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106201","11.0788","0.0012","29.771","0.003","9.3271","0.001","90","","90","","90","","3076.3","0.6","93","2","93","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C33 H26 F6 N4 S2 -","- C33 H26 F6 N4 S2 -","- C132 H104 F24 N16 S8 -","4","0.5","","Masakazu Morimoto; Masahiro Irie","Photochemical control of dielectric properties based on intermolecular proton transfer in a hydrogen-bonded diarylethene crystal","Chem.Commun.","2011","47","","4186","","10.1039/c0cc05729k","","","0.71073","MoKα","","0.0721","0.0676","","","0.1717","0.1751","","","","","","1.118","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106202","11.0607","0.001","29.907","0.003","9.2892","0.0008","90","","90","","90","","3072.8","0.5","93","2","93","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C33 H26 F6 N4 S2 -","- C33 H26 F6 N4 S2 -","- C132 H104 F24 N16 S8 -","4","0.5","","Masakazu Morimoto; Masahiro Irie","Photochemical control of dielectric properties based on intermolecular proton transfer in a hydrogen-bonded diarylethene crystal","Chem.Commun.","2011","47","","4186","","10.1039/c0cc05729k","","","0.71073","MoKα","","0.0699","0.0661","","","0.1573","0.16","","","","","","1.163","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106203","13.3034","0.0002","26.0736","0.0003","13.4077","0.0002","90","","92.383","0.001","90","","4646.67","0.11","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H118 Cr2 Li6 N12 O8 -","- C94 H118 Cr2 Li6 N12 O8 -","- C188 H236 Cr4 Li12 N24 O16 -","2","0.5","","Joanna Haywood; Francesca A. Stokes; Robert J. Less; Mary McPartlin; Andrew E. H. Wheatley; Dominic S. Wright","A quadruply-bonded [Cr2(guanidinate)4]4? tetraanion","Chem.Commun.","2011","47","","4120","","10.1039/c1cc10194c","","","0.7107","MoKα","","0.0928","0.0723","","","0.1571","0.1666","","","","","","1.139","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106204","8.4194","0.0003","7.4038","0.0002","15.0492","0.0006","90","","106.181","0.001","90","","900.94","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cr2 N8 -","- C12 H28 Cr2 N8 -","- C24 H56 Cr4 N16 -","2","0.5","","Joanna Haywood; Francesca A. Stokes; Robert J. Less; Mary McPartlin; Andrew E. H. Wheatley; Dominic S. Wright","A quadruply-bonded [Cr2(guanidinate)4]4? tetraanion","Chem.Commun.","2011","47","","4120","","10.1039/c1cc10194c","","","0.71073","MoKα","","0.0444","0.0319","","","0.0836","0.0882","","","","","","1.028","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106205","10.9876","0.0003","12.1241","0.0004","12.7331","0.0006","66.71","0.001","84.955","0.001","73.754","0.002","1495.31","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(K(2,2,2-crypt))2(Fe(HP7)2)","[K(2,2,2-crypt)]2[Fe(HP7)2]","","- C36 H74 Fe K2 N4 O12 P14 -","- C36 H74 Fe K2 N4 O12 P14 -","- C36 H74 Fe K2 N4 O12 P14 -","1","0.5","","Caroline M. Knapp Joseph S. Large Nicholas H. Rees Jose M. Goicoechea","The bis(hydrogenheptaphosphide)iron(II) dianion: a Zintl ion analogue of ferrocene?","Chem.Commun.","2011","47","","4111","","10.1039/c1cc10236b","","","0.71073","MoKα","","0.0757","0.0427","","","0.0863","0.1","","","","","","0.979","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"7106206","10.086","0.002","13.041","0.003","13.928","0.003","72.718","0.015","70.046","0.015","86.335","0.018","1642.8","0.6","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C40 H29.89 Br1.11 N5 O3 -","- C40 H29.892 Br1.108 N5 O3 -","- C80 H59.784 Br2.216 N10 O6 -","2","1","","Luca Tortora; Sara Nardis; Frank R.Fronczek; Kevin Smith; Roberto Paolesse","Functionalization of the corrole ring: the role of isocorrole intermediates","Chem.Commun.","2011","47","","4243","","10.1039/c0cc05837h","","","1.54178","CuKα","","0.139","0.082","","","0.209","0.242","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106207","11.6478","0.0006","18.985","0.0014","16.1788","0.0011","90","","99.847","0.004","90","","3525","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 N2 O P2 -","- C38 H38 Cl2 N2 O P2 -","- C152 H152 Cl8 N8 O4 P8 -","4","1","","Javier Ruiz; Marta P. Gonzalo; Marilin Vivanco; M. Rosario Diaz; Santiago Garcia-Granda","Three-component reaction involving isocyanide, phosphine and ketenimine functionalities","Chem.Commun.","2011","47","","4270","","10.1039/c0cc05025c","","","1.54184","CuKα","","0.0606","0.0481","","","0.1293","0.1388","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106208","13.3707","0.0002","9.7253","0.0002","18.8006","0.0004","90","","110.186","0.001","90","","2294.56","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 N2 O4 P -","- C20 H37 N2 O4 P -","- C80 H148 N8 O16 P4 -","4","1","","Paul Bremond; Sylvain Marque","First proton triggered C–ON bond homolysis in alkoxyamines","Chem.Commun.","2011","47","","4291","","10.1039/c0cc05637e","","x-ray","0.71073","MoKα","","0.0843","0.0518","","","0.1612","0.1971","","","","","","1.145","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106209","10.7765","0.0009","28.1439","0.0013","28.487","0.002","90","","98.706","0.002","90","","8540.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Cu2 N0 O14 -","- C33 H24 Cu2 O14 -","- C132 H96 Cu8 O56 -","4","0.5","","Tae Kyung Kim; Myunghyun Paik Suh","Selective CO2 adsorption in a flexible non-interpenetrated metal–organic framework","Chem.Commun.","2011","47","","4258","","10.1039/c0cc05199c","","x-ray","0.71073","MoKα","","0.1512","0.0794","","","0.2084","0.2297","","","","","","0.772","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106210","9.4114","0.0007","9.4114","","12.7128","0.0012","90","","90","","90","","1126.03","0.14","298","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- B4 H20 Mg N4 Na2 -","- B4 H20 Mg N4 Na2 -","- B16 H80 Mg4 N16 Na8 -","4","0.25","","Hui Wu; Wei Zhou; Frederick E.Pinkerton; Martin S.Meyer; Qingrong Yao; Srinivas Gadipelli; Terrence J.Udovic; Taner Yildirim; John J. Rush","Sodium magnesium amidoborane: the first mixed-metal amidoborane","Chem.Commun.","2011","47","","4102","","10.1039/c0cc05814a","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.07013","","1.014","","","","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106211","12.5935","0.0003","12.7118","0.0006","19.2504","0.0004","90","","93.663","0.002","90","","3075.42","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua(2,6-(bis(bis-2-pyridyl0methoxymethane)pyridine)cobalt(II) percloro","","- C29 H27 Cl2 Co N5 O11 -","- C29 H27 Cl2 Co N5 O11 -","- C116 H108 Cl8 Co4 N20 O44 -","4","1","","Derek J. Wasylenko; Chelladurai Ganesamoorthy; Javier Borau-Garcia; Curtis Berlinguette","Electrochemical evidence for catalytic water oxidation mediated by a high-valent cobalt complex: aqua(2,6-(bis(bis-2-pyridyl0methoxymethane)pyridine)cobalt(II) percloro","Chem.Commun.","2011","47","","4249","","10.1039/c0cc05522k","","","0.71073","MoKα","","0.0565","0.0446","","","0.0896","0.0995","","","","","","1.08","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106212","15.729","0.003","23.17","0.005","9.7372","0.0019","90","","90","","90","","3548.6","1.2","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","Zinc-1,4-benzenediphosphonatodiethylester","Zinc-1,4-benzenediphosphonatodiethylester","","- C11 H16 O6 P2 Zn -","- C11 H16 O6 P2 Zn -","- C88 H128 O48 P16 Zn8 -","8","0.5","","Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; George K. H. Shimizu","A permanently porous van der Waals solid by using phosphonate monoester linkers in a metal organic framework.","Chem.Commun.","2011","47","","4430","","10.1039/c0cc04779a","","","0.71073","MoKα","","0.083","0.0609","","","0.1556","0.1694","","","","","","0.978","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106213","11.2924","0.0004","15.4265","0.0007","25.3239","0.0011","90","","90","","90","","4411.5","0.3","100","","100","","","","","","","","LOC ETH Zurich","3","P b c a","-P 2ac 2ab","61","","","","- C27 H21 N7 -","- C27 H21 N7 -","- C216 H168 N56 -","8","1","","Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; Franziska Schoenebeck; W. Bernd Schweizer; Bruno Bernet; Francois Diederich","Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalized 6,6-dicyanofulvene with an intense, low-energy charge-transfer band;","Chem.Commun.","2011","47","","4520","","10.1039/c1cc10247h","","","0.71073","MoKα","","0.0925","0.0699","","","0.1766","0.1882","","","","","","1.249","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106214","9.1282","0.0003","11.1896","0.0003","12.4251","0.0004","102.417","0.0013","90.4984","0.0013","103.968","0.0013","1200.32","0.06","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C53 H41 Cl3 N6 -","- C53 H41 Cl3 N12 -","- C53 H41 Cl3 N12 -","1","0.5","","Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; Franziska Schoenebeck; W. Bernd Schweizer; Bruno Bernet; Francois Diederich","Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalized 6,6-dicyanofulvene with an intense, low-energy charge-transfer band;","Chem.Commun.","2011","47","","4520","","10.1039/c1cc10247h","","","0.71073","MoKα","","0.0876","0.0714","","","0.2208","0.2329","","","","","","1.71","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106215","9.8044","0.0006","12.8651","0.001","18.011","0.002","93.245","0.005","91.748","0.005","109.113","0.003","2140.2","0.3","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C51 H44 Cl N10 -","- C51 H44 Cl N10 -","- C102 H88 Cl2 N20 -","2","1","","Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; Franziska Schoenebeck; W. Bernd Schweizer; Bruno Bernet; Francois Diederich","Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalized 6,6-dicyanofulvene with an intense, low-energy charge-transfer band;","Chem.Commun.","2011","47","","4520","","10.1039/c1cc10247h","","","0.71073","MoKα","","0.0912","0.0742","","","0.2097","0.2206","","","","","","1.532","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106216","23.1039","0.0007","6.0491","0.0002","15.7821","0.0005","90","","92.218","0.002","90","","2204.02","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N7 -","- C27 H21 N7 -","- C108 H84 N28 -","4","1","","Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; Franziska Schoenebeck; W. Bernd Schweizer; Bruno Bernet; Francois Diederich","Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalized 6,6-dicyanofulvene with an intense, low-energy charge-transfer band;","Chem.Commun.","2011","47","","4520","","10.1039/c1cc10247h","","","1.54178","CuKα","","0.0444","0.0335","","","0.0956","0.1064","","","","","","0.854","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106217","11.5737","0.0003","11.5737","0.0003","11.5001","0.0005","90","0","90","0","90","0","1540.44","0.09","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","","","","- C17 H10 N6 -","- C17 H10 N6 -","- C68 H40 N24 -","4","1","","Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; Franziska Schoenebeck; W. Bernd Schweizer; Bruno Bernet; Francois Diederich","Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalized 6,6-dicyanofulvene with an intense, low-energy charge-transfer band;","Chem.Commun.","2011","47","","4520","","10.1039/c1cc10247h","","","0.71073","MoKα","","0.0566","0.0509","","","0.1492","0.1535","","","","","","1.228","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106218","10.2397","0.0012","12.4463","0.0013","24.466","0.003","90","","101.04","0.013","90","","3060.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Cl2 N4 O2 -","- C31 H38 Cl2 N4 O2 -","- C124 H152 Cl8 N16 O8 -","4","1","","Sanjeev P. Mahanta; B. Sathish Kumar; Pradeepta K. Panda","Meso-diacylated calix[4]pyrrole: Structural diversities and enhanced binding towards dihydrogenphosphate ion","Chem.Commun.","2011","47","","4496","","10.1039/c1cc10284b","","","0.71073","MoKα","","0.2934","0.081","","","0.1351","0.1881","","","","","","0.817","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106219","10.309","0.007","13.246","0.009","11.386","0.008","90","","113.54","0.011","90","","1425.4","1.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 N4 O3 -","- C30 H38 N4 O3 -","- C60 H76 N8 O6 -","2","1","","Sanjeev P. Mahanta; B. Sathish Kumar; Pradeepta K. Panda","Meso-diacylated calix[4]pyrrole: Structural diversities and enhanced binding towards dihydrogenphosphate ion","Chem.Commun.","2011","47","","4496","","10.1039/c1cc10284b","","","0.71073","MoKα","","0.0825","0.0807","","","0.1624","0.1632","","","","","","1.302","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106220","21.356","0.0019","21.356","0.0019","11.329","0.002","90","","90","","90","","5166.9","1.1","273","2","273","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C30 H36 N4 O2 -","- C30 H36 N4 O2 -","- C240 H288 N32 O16 -","8","0.5","","Sanjeev P. Mahanta; B. Sathish Kumar; Pradeepta K. Panda","Meso-diacylated calix[4]pyrrole: Structural diversities and enhanced binding towards dihydrogenphosphate ion","Chem.Commun.","2011","47","","4496","","10.1039/c1cc10284b","","","0.71073","MoKα","","0.1238","0.1076","","","0.2051","0.2133","","","","","","1.234","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106221","11.3085","0.0018","19.412","0.003","23.713","0.004","90","","90","","90","","5205.5","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H36 N4 O2 -","- C30 H36 N4 O2 -","- C240 H288 N32 O16 -","8","1","","Sanjeev P. Mahanta; B. Sathish Kumar; Pradeepta K. Panda","Meso-diacylated calix[4]pyrrole: Structural diversities and enhanced binding towards dihydrogenphosphate ion","Chem.Commun.","2011","47","","4496","","10.1039/c1cc10284b","","","0.71073","MoKα","","0.2978","0.0887","","","0.1303","0.1924","","","","","","0.945","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106222","7.0771","0.0007","19.1132","0.0019","8.2747","0.0008","90","","103.131","0.002","90","","1090.02","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Sanjeev P. Mahanta; B. Sathish Kumar; Pradeepta K. Panda","Meso-diacylated calix[4]pyrrole: Structural diversities and enhanced binding towards dihydrogenphosphate ion","Chem.Commun.","2011","47","","4496","","10.1039/c1cc10284b","","","0.71073","MoKα","","0.055","0.0468","","","0.1188","0.1242","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106223","9.4272","0.0006","10.9639","0.0007","21.8249","0.0013","89.605","0.003","81.177","0.003","72.8","0.003","2127.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 I4 N6 O12 Ru S2 -","- C30 H32 I4 N6 O12 Ru S2 -","- C60 H64 I8 N12 O24 Ru2 S4 -","2","1","","Matti Tuikka; Pipsa Hirva; Kari Rissanen; Jouko Korppi-Tommola; Matti Haukka","Halogen bonding - a key step in charge recombination of the dye-sensitized solar cell","Chem.Commun.","2011","47","","4499","","10.1039/c1cc10491h","","","0.71073","MoKα","","0.0742","0.0496","","","0.1281","0.1402","","","","","","1.045","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106224","5.4654","0.0015","10.929","0.003","25.79","0.007","90","","90","","90","","1540.5","0.7","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br I O2 -","- C17 H12 Br I O2 -","- C68 H48 Br4 I4 O8 -","4","1","","Yang, Fan; Jin, Tienan; Bao, Ming; Yamamoto, Yoshinori","Facile synthesis of 3,4-dihalofurans via electrophilic iodocyclization","Chemical Communications (Cambridge, United Kingdom)","2011","47","15","4541","4543","10.1039/c1cc10584a","","","0.7107","MoKα","","","0.0292","","","","0.0773","","","","","","1.075","","","","has coordinates","210846","2020-10-21","18:00:00",""
"7106225","17.6459","0.0012","12.6743","0.0009","15.7555","0.0013","90","","97.081","0.004","90","","3496.8","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H33 N11 O2 S5 U -","- C23 H33 N11 O2 S5 U -","- C92 H132 N44 O8 S20 U4 -","4","1","","Noboru Aoyagi; Kojiro Shimojo; Neil R. Brooks; Ryuji Nagaishi; Hirochika Naganawa; Kristof Van Hecke; Luc Van Meervelt; Koen Binnemans; Takaumi Kimura","Thermochromic properties of low-melting ionic uranyl isothiocyanate complexes","Chem.Commun.","2011","47","","4490","","10.1039/c0cc05550f","","","1.54178","CuKα","","0.0714","0.0637","","","0.1681","0.1756","","","","","","1.021","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106226","26.602","0.003","8.7735","0.0009","11.9016","0.0012","90","","90","","90","","2777.7","0.5","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H34 F6 Fe N O4 S2 -","- C24 H34 F6 Fe N O4 S2 -","- C96 H136 F24 Fe4 N4 O16 S8 -","4","1","","Yusuke Funasako; Tomoyuki Mochida; Takashi Inagaki; Takahiro Sakurai; Hitoshi Ohta; Ko Furukawa; Toshikazu Nakamura","Magnetic memory based on magnetic alignment of a paramagnetic ionic liquid near room temperature","Chem.Commun.","2011","47","","4475","","10.1039/c0cc05820c","","","0.71073","MoKα","","0.0272","0.0254","","","0.0617","0.0626","","","","","","1.068","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106227","22.123","0.003","10.7279","0.0014","18.668","0.003","90","","122.014","0.001","90","","3756.7","0.9","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","[(SIPr)AuCO][SbF6]","","","- C30 H42 Au Cl4 F6 N2 O Sb -","- C30 H42 Au Cl4 F6 N2 O Sb -","- C120 H168 Au4 Cl16 F24 N8 O4 Sb4 -","4","1","","Chandrakanta Dash; Peter Kroll; Muhammed Yousufuddin; Rasika Dias","Isolable, gold carbonyl complexes supported by N-heterocyclic carbenes","Chem.Commun.","2011","47","","4478","","10.1039/c1cc10622h","","","0.71073","MoKα","","0.0282","0.0271","","","0.0677","0.0687","","","","","","1.048","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106228","7.394","0.005","23.675","0.016","14.376","0.01","90","","97.916","0.008","90","","2493","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N6 O8 -","- C27 H18 N6 O8 -","- C108 H72 N24 O32 -","4","1","","Yu Peng; Ai-Jiang Zhang; Ming Dong; Ya-Wen Wang","A colorimetric and fluorescent chemosensor for the detection of an explosive - 2,4,6-trinitrophenol (TNP)","Chem.Commun.","2011","47","","4505","","10.1039/c1cc10400d","","","0.71073","MoKα","","0.1228","0.0584","","","0.1214","0.1495","","","","","","1.052","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106229","16.2073","0.0007","16.2073","0.0007","23.4757","0.0018","90","","90","","120","","5340.4","0.5","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C66 H72 Cl12 N6 O6 -","- C66 H72 Cl12 N6 O6 -","- C198 H216 Cl36 N18 O18 -","3","0.166667","","Cecile Givelet; Junling Sun; Di Xu; Thomas J. Emge; Ashwini Dhokte; Ralf Warmuth","Templated dynamic cryptophane formation in water","Chem.Commun.","2011","47","","4511","","10.1039/c1cc10510h","","","0.71073","MoKα","","0.0772","0.0564","","","0.1213","0.1327","","","","","","1.004","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106230","18.9","0.003","18.9","0.003","33.561","0.007","90","","90","","90","","11988","4","120","2","120","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C91 H130 Cu4 N10 O40 -","- C57 H28 Cu4 O20 -","- C228 H112 Cu16 O80 -","4","0.25","","Chenrong Tan; Sihai Yang; Neil R. Champness; Xiang Lin; Alexander Blake; William Lewis; Martin Schroder","High capacity gas storage by a 4,8-connected metal - organic polyhedral framework","Chem.Commun.","2011","47","","4487","","10.1039/c1cc10378d","","","0.6889","synchrotron","","0.113","0.0463","","","0.068","0.0773","","","","","","1","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106231","10.84","0.003","4.867","0.0014","19.354","0.006","90","","94.139","0.004","90","","1018.4","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Co N2 O4 -","- C10 H8 Co N2 O4 -","- C40 H32 Co4 N8 O16 -","4","1","","Kuang-Lieh Lu; Chen-I Yang; Po-Hsiang Chuang","Slow Magnetic Relaxation in A Cobalt Magnetic Chain","Chem.Commun.","2011","47","","4445","","10.1039/c1cc00036e","","","0.71073","MoKα","","0.0444","0.0354","","","0.0911","0.0962","","","","","","1.045","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106232","26.9672","0.0015","26.9672","0.0015","29.0503","0.0015","90","","90","","90","","21126","2","150","2","150","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C276 H350 Cl42 Co24 Mo8 O70 S24 -","- C240 H264 Cl6 Co24 Mo8 O56 S24 -","- C480 H528 Cl12 Co48 Mo16 O112 S48 -","2","0.0625","","Yanfeng Bi; Shangchao Du; Wuping Liao","p-tert-Butylthiacalix[4]arene-surpported High-nuclearity {Co24M8} (M = Mo or W) Nanospheres and the Hybrids with Keggin Polyoxometalates","Chem.Commun.","2011","47","","4724","","10.1039/c0cc05574c","","","0.71073","MoKα","","0.0946","0.087","","","0.2481","0.2585","","","","","","1.07","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7106233","27.0337","0.0011","27.0337","0.0011","29.0885","0.0013","90","","90","","90","","21258.5","1.5","150","2","150","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C294 H404 Cl42 Co24 O79 S24 W8 -","- C240 H264 Cl6 Co24 O56 S24 W8 -","- C480 H528 Cl12 Co48 O112 S48 W16 -","2","0.0625","","Yanfeng Bi; Shangchao Du; Wuping Liao","p-tert-Butylthiacalix[4]arene-surpported High-nuclearity {Co24M8} (M = Mo or W) Nanospheres and the Hybrids with Keggin Polyoxometalates","Chem.Commun.","2011","47","","4724","","10.1039/c0cc05574c","","","0.71073","MoKα","","0.1052","0.0981","","","0.2756","0.2858","","","","","","1.098","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7106234","24.6357","0.0003","24.6357","0.0003","36.1032","0.0005","90","","90","","90","","21911.7","0.5","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C266 H319 Cl42 Co24 Mo20 O103 P S24 -","- C240 H264 Cl6 Co24 Mo19.9984 O95.996 P S24 -","- C480 H528 Cl12 Co48 Mo39.9968 O191.992 P2 S48 -","2","0.125","","Yanfeng Bi; Shangchao Du; Wuping Liao","p-tert-Butylthiacalix[4]arene-surpported High-nuclearity {Co24M8} (M = Mo or W) Nanospheres and the Hybrids with Keggin Polyoxometalates","Chem.Commun.","2011","47","","4724","","10.1039/c0cc05574c","","","0.71073","MoKα","","0.083","0.0707","","","0.2161","0.2275","","","","","","1.063","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7106235","21.1491","0.0003","24.093","0.0003","24.4639","0.0005","99.761","0.001","109.41","0.001","115.439","0.001","9877.6","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C250 H287 Cl24 Co24 O100 P S24 W20 -","- C240 H264 Cl6 Co24 O96 P S24 W20 -","- C240 H264 Cl6 Co24 O96 P S24 W20 -","1","0.5","","Yanfeng Bi; Shangchao Du; Wuping Liao","p-tert-Butylthiacalix[4]arene-surpported High-nuclearity {Co24M8} (M = Mo or W) Nanospheres and the Hybrids with Keggin Polyoxometalates","Chem.Commun.","2011","47","","4724","","10.1039/c0cc05574c","","","0.71073","MoKα","","0.0613","0.0393","","","0.0932","0.099","","","","","","0.978","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7106236","16.3394","0.0011","13.3936","0.0009","23.0429","0.0015","90","","104.689","0.002","90","","4878","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 F16 N5 O4 -","- C43 H50 F16 N5 O4 -","- C172 H200 F64 N20 O16 -","4","1","","I. Ravikumar; Subrata Saha; Pradyut Ghosh","Dual-host approach for liquid-liquid extraction of potassium fluoride/chloride via formation of an integrated 1-D polymeric complex","Chem.Commun.","2011","47","","4721","","10.1039/c0cc03469j","","","0.71073","MoKα","","0.1101","0.0665","","","0.1883","0.2327","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106237","11.7018","0.0018","14.141","0.002","15.737","0.003","88.438","0.006","77.895","0.005","74.96","0.005","2457.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H51 Cl F15 N5 O3 -","- C43 H46 Cl F15 N5 O3 -","- C86 H92 Cl2 F30 N10 O6 -","2","1","","I. Ravikumar; Subrata Saha; Pradyut Ghosh","Dual-host approach for liquid–liquid extraction of potassium fluoride/chloride via formation of an integrated 1-D polymeric complex","Chem.Commun.","2011","47","","4721","","10.1039/c0cc03469j","","","0.71073","MoKα","","0.0921","0.0624","","","0.1437","0.1645","","","","","","0.964","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106238","15.591","0.007","19.049","0.008","16.196","0.007","90","","93.954","0.006","90","","4799","4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 F16 K N4 O10 -","- C40.2 H15 F16 K N4 O10.6 -","- C160.8 H60 F64 K4 N16 O42.4 -","4","1","","I. Ravikumar; Subrata Saha; Pradyut Ghosh","Dual-host approach for liquid–liquid extraction of potassium fluoride/chloride via formation of an integrated 1-D polymeric complex","Chem.Commun.","2011","47","","4721","","10.1039/c0cc03469j","","","0.71073","MoKα","","0.1477","0.0832","","","0.2168","0.2649","","","","","","1.038","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106239","10.676","0.01","24.66","0.02","18.522","0.018","90","","98.094","0.011","90","","4828","8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 Cl F15 K N4 O10 -","- C39 H39 Cl F15 K N4 O10 -","- C156 H156 Cl4 F60 K4 N16 O40 -","4","1","","I. Ravikumar; Subrata Saha; Pradyut Ghosh","Dual-host approach for liquid–liquid extraction of potassium fluoride/chloride via formation of an integrated 1-D polymeric complex","Chem.Commun.","2011","47","","4721","","10.1039/c0cc03469j","","","0.71073","MoKα","","0.096","0.0738","","","0.1931","0.2137","","","","","","1.232","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106240","26.2341","0.0006","4.9127","0.0001","24.6048","0.0005","90","","118.718","0.001","90","","2781.02","0.11","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 As3 Be3 N O13 -","- C5 H9 As3 Be3 N O13 -","- C40 H72 As24 Be24 N8 O104 -","8","1","","Littlefield, Benjamin T. R.; Welle, Mark T.","Berylloarsenates ‒ new frameworks, building units and an unusual zeotype","Chemical Communications (Cambridge, United Kingdom)","2011","47","","4769","4771","10.1039/c1cc00118c","","","0.71073","MoKα","","0.0492","0.0381","","","0.0741","0.0794","","","","","","1.139","","","","has coordinates","210837","2020-10-21","18:00:00",""
"7106241","5.0833","0.0002","7.9685","0.0003","10.2929","0.0004","90","","90.638","0.002","90","","416.9","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- As Be H O5.07 Sr -","- As Be H O5.0685 Sr -","- As4 Be4 H4 O20.274 Sr4 -","4","1","","Littlefield, Benjamin T. R.; Welle, Mark T.","Berylloarsenates ‒ new frameworks, building units and an unusual zeotype","Chemical Communications (Cambridge, United Kingdom)","2011","47","","4769","4771","10.1039/c1cc00118c","","","0.71073","MoKα","","0.0278","0.024","","","0.0478","0.0493","","","","","","1.143","","","","has coordinates","210837","2020-10-21","18:00:00",""
"7106242","16.2789","0.0006","4.653","0.0002","9.8544","0.0004","90","","93.679","0.002","90","","744.89","0.05","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As2 Be3 H4 O10 -","- As2 Be3 H4 O10 -","- As8 Be12 H16 O40 -","4","0.5","","Littlefield, Benjamin T. R.; Welle, Mark T.","Berylloarsenates ‒ new frameworks, building units and an unusual zeotype","Chemical Communications (Cambridge, United Kingdom)","2011","47","","4769","4771","10.1039/c1cc00118c","","","0.71073","MoKα","","0.0184","0.0172","","","0.0441","0.045","","","","","","1.018","","","","has coordinates","210837","2020-10-21","18:00:00",""
"7106243","9.914","0.0003","8.566","0.0003","11.1562","0.0004","90","","100.05","0.002","90","","932.88","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- As2 Be3 H10 N2 O10 -","- As2 Be3 H10 N2 O10 -","- As8 Be12 H40 N8 O40 -","4","1","","Littlefield, Benjamin T. R.; Welle, Mark T.","Berylloarsenates ‒ new frameworks, building units and an unusual zeotype","Chemical Communications (Cambridge, United Kingdom)","2011","47","","4769","4771","10.1039/c1cc00118c","","","0.71073","MoKα","","0.0547","0.0385","","","0.07","0.0772","","","","","","1.105","","","","has coordinates","210837","2020-10-21","18:00:00",""
"7106244","12.9639","0.0006","14.0423","0.0006","18.6966","0.0009","90","","90.16","0.004","90","","3403.6","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.9 H4 As8 Be8 N5 O34 -","- C4.9 H4 As8 Be8 N5 O34 -","- C19.6 H16 As32 Be32 N20 O136 -","4","0.5","","Littlefield, Benjamin T. R.; Welle, Mark T.","Berylloarsenates ‒ new frameworks, building units and an unusual zeotype","Chemical Communications (Cambridge, United Kingdom)","2011","47","","4769","4771","10.1039/c1cc00118c","","","0.71073","MoKα","","0.0578","0.0449","","","0.1278","0.1435","","","","","","1.097","","","","has coordinates","210837","2020-10-21","18:00:00",""
"7106245","6.4806","0.0002","11.0971","0.0004","8.4133","0.0002","90","","105.881","0.002","90","","581.96","0.03","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As Be2 H5 O7 -","- As Be2 H5 O7 -","- As4 Be8 H20 O28 -","4","1","","Littlefield, Benjamin T. R.; Welle, Mark T.","Berylloarsenates ‒ new frameworks, building units and an unusual zeotype","Chemical Communications (Cambridge, United Kingdom)","2011","47","","4769","4771","10.1039/c1cc00118c","","","0.71073","MoKα","","0.0224","0.02","","","0.0486","0.0507","","","","","","0.835","","","","has coordinates","210837","2020-10-21","18:00:00",""
"7106246","16.9831","0.0005","16.9831","0.0005","12.7839","0.0006","90","","90","","90","","3687.2","0.2","120","2","120","2","","","","","","","","6","P 42/n b c :2","-P 4ac 2b","133","","","","- C0.5 H0.5 As0.95 Be1.05 N0.16 O4.78 -","- C0.5 H0.5 As0.9485 Be1.0515 N0.165 O4.78 -","- C16 H16 As30.352 Be33.648 N5.28 O152.96 -","32","2","","Littlefield, Benjamin T. R.; Welle, Mark T.","Berylloarsenates ‒ new frameworks, building units and an unusual zeotype","Chemical Communications (Cambridge, United Kingdom)","2011","47","","4769","4771","10.1039/c1cc00118c","","","0.71073","MoKα","","0.1499","0.0804","","","0.1798","0.2226","","","","","","1.099","","","","has coordinates","210837","2020-10-21","18:00:00",""
"7106247","25.4169","0.0006","9.8928","0.0002","18.7178","0.0004","90","","92.178","0.001","90","","4703.08","0.18","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H26 As10 Be8 N5.88 O42 -","- C9 H26 As10 Be8 N5.88 O42 -","- C36 H104 As40 Be32 N23.52 O168 -","4","0.5","","Littlefield, Benjamin T. R.; Welle, Mark T.","Berylloarsenates ‒ new frameworks, building units and an unusual zeotype","Chemical Communications (Cambridge, United Kingdom)","2011","47","","4769","4771","10.1039/c1cc00118c","","","0.71073","MoKα","","0.1175","0.0716","","","0.1202","0.1381","","","","","","1.138","","","","has coordinates","210837","2020-10-21","18:00:00",""
"7106248","9.9818","0.0016","18.392","0.003","31.754","0.005","90","","90","","90","","5829.6","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H82 O4 S2 Zr -","- C63 H82 O4 S2 Zr -","- C252 H328 O16 S8 Zr4 -","4","1","","Jean-Charles Buffet; Jun Okuda","Group 4 metal initiators for the controlled stereoselective polymerization of lactide monomers","Chem.Commun.","2011","47","","4796","","10.1039/c1cc10149h","","","0.71073","MoKα","","0.0565","0.0477","","","0.1111","0.1166","","","","","","0.952","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106249","15.4864","0.0005","18.7106","0.0006","16.4209","0.0005","90","","106.763","0.001","90","","4555.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 N4 Rh -","- C55 H41 N4 Rh -","- C220 H164 N16 Rh4 -","4","1","","Yun Wai Chan; Kin Shing Chan","Metalloradical-catalyzed rearrangement of cycloheptatrienyl to benzyl","Chem.Commun.","2011","47","","4802","","10.1039/c0cc04655h","","","0.71073","MoKα","","0.0435","0.0364","","","0.103","0.1081","","","","","","1.061","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106250","12.438","0.002","12.469","0.002","13.7","0.003","97.789","0.003","102.789","0.003","91.42","0.004","2049.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Fe2(OEP-CH2-CH2-OEP)(OSO2CF3)2.C6H6","","","- C88 H102 F6 Fe2 N8 O6 S2 -","- C88 H102 F6 Fe2 N8 O6 S2 -","- C88 H102 F6 Fe2 N8 O6 S2 -","1","0.5","","Susovan Bhowmik; Sudip Kumar Ghosh; Sankar Prasad Rath","Control of spins by ring deformation in a diiron(III)bisporphyrin: reversal of ClO4- and CF3SO3-ligand field strength in the magnetochemical series","Chem.Commun.","2011","47","","4790","","10.1039/c0cc05712f","","","0.71073","MoKα","","0.1004","0.0619","","","0.1488","0.1777","","","","","","1.013","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106251","7.0532","0.0014","15.697","0.003","8.973","0.0019","90","","99.348","0.003","90","","980.2","0.3","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 Br Cl N O2 -","- C22 H21 Br Cl N O2 -","- C44 H42 Br2 Cl2 N2 O4 -","2","1","","Ji-Rong Huang; Hai-Lei Cui; Jie Lei; Xun-Hao Sun; Ying-Chun Chen","Organocatalytic chemoselective asymmetric N-allylic alkylation of enamides","Chem.Commun.","2011","47","","4784","","10.1039/c0cc05616b","","","0.71073","MoKα","","0.0353","0.0284","","","0.0336","0.0344","","","","","","0.795","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106252","15.2832","0.0008","11.5421","0.0006","15.3499","0.0008","90","","107.171","0.002","90","","2587","0.2","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","P60 2-aminopyrazine, 4-I-F4-PhCOOH","P60 2-aminopyrazine, 4-I-F4-PhCOOH","","- C11 H6 F4 I N3 O2 -","- C11 H6 F4 I N3 O2 -","- C88 H48 F32 I8 N24 O16 -","8","2","","Christer B. Aakeroy; Prashant D. Chopade; Claudia Ganser; John Desper","Facile synthesis and supramolecular chemistry of hydrogen bond/halogen bond-driven multi-tasking tectons","Chem.Commun.","2011","47","","4688","","10.1039/c1cc10436e","","","0.71073","MoKα","","0.0324","0.0274","","","0.0655","0.0678","","","","","","1.07","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106253","10.6236","0.0004","10.6899","0.0004","22.3295","0.0009","84.593","0.002","76.279","0.002","90.002","0.002","2451.87","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","P59 2-aminopyrazine, 4-bromotetrafluorobenzoic acid","P59 2-aminopyrazine, 4-bromotetrafluorobenzoic acid","","- C11 H6 Br F4 N3 O2 -","- C11 H6 Br F4 N3 O2 -","- C88 H48 Br8 F32 N24 O16 -","8","4","","Christer B. Aakeroy; Prashant D. Chopade; Claudia Ganser; John Desper","Facile synthesis and supramolecular chemistry of hydrogen bond/halogen bond-driven multi-tasking tectons","Chem.Commun.","2011","47","","4688","","10.1039/c1cc10436e","","","0.71073","MoKα","","0.0675","0.0436","","","0.0944","0.1041","","","","","","1.03","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106254","14.3341","0.001","14.1571","0.001","6.8919","0.0005","90","","96.564","0.003","90","","1389.4","0.17","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","PC-4-7b 2-amino-5-bromopyrazine, 4-I-F4-PhCOOH","PC-4-7b 2-amino-5-bromopyrazine, 4-I-F4-PhCOOH","","- C11 H5 Br F4 I N3 O2 -","- C11 H5 Br F4 I N3 O2 -","- C44 H20 Br4 F16 I4 N12 O8 -","4","1","","Christer B. Aakeroy; Prashant D. Chopade; Claudia Ganser; John Desper","Facile synthesis and supramolecular chemistry of hydrogen bond/halogen bond-driven multi-tasking tectons","Chem.Commun.","2011","47","","4688","","10.1039/c1cc10436e","","","0.71073","MoKα","","0.0398","0.029","","","0.0657","0.0705","","","","","","1.031","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106255","7.1539","0.0004","9.6066","0.0005","10.2884","0.0006","89.546","0.004","73.888","0.003","83.695","0.003","675","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","P39 4-Br-2,3,5,6-F4-PhCOOH, 2-Br-5-NH2-pyrazine","P39 4-Br-2,3,5,6-F4-PhCOOH, 2-Br-5-NH2-pyrazine","","- C11 H5 Br2 F4 N3 O2 -","- C11 H5 Br2 F4 N3 O2 -","- C22 H10 Br4 F8 N6 O4 -","2","1","","Christer B. Aakeroy; Prashant D. Chopade; Claudia Ganser; John Desper","Facile synthesis and supramolecular chemistry of hydrogen bond/halogen bond-driven multi-tasking tectons","Chem.Commun.","2011","47","","4688","","10.1039/c1cc10436e","","","0.71073","MoKα","","0.0561","0.0379","","","0.0916","0.1015","","","","","","1.037","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106256","10.4824","0.0004","5.758","0.0003","25.7816","0.0011","90","","98.936","0.001","90","","1537.23","0.12","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","P10 3-amino-2,6-dibromopyrazine, 4-I-F4-PhCOOH","P10 3-amino-2,6-dibromopyrazine, 4-I-F4-PhCOOH","","- C11 H4 Br2 F4 I N3 O2 -","- C11 H4 Br2 F4 I N3 O2 -","- C44 H16 Br8 F16 I4 N12 O8 -","4","1","","Christer B. Aakeroy; Prashant D. Chopade; Claudia Ganser; John Desper","Facile synthesis and supramolecular chemistry of hydrogen bond/halogen bond-driven multi-tasking tectons","Chem.Commun.","2011","47","","4688","","10.1039/c1cc10436e","","","0.71073","MoKα","","0.028","0.0227","","","0.0541","0.0559","","","","","","1.015","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106257","15.2443","0.0014","13.9577","0.0016","21.995","0.003","90","","109.743","0.006","90","","4404.9","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PC-4-7d 2-amino-3,5-dibromopyrazine, 4-Br-F4-PhCOOH","PC-4-7d 2-amino-3,5-dibromopyrazine, 4-Br-F4-PhCOOH","","- C11 H4 Br3 F4 N3 O2 -","- C11 H4 Br3 F4 N3 O2 -","- C132 H48 Br36 F48 N36 O24 -","12","3","","Christer B. Aakeroy; Prashant D. Chopade; Claudia Ganser; John Desper","Facile synthesis and supramolecular chemistry of hydrogen bond/halogen bond-driven multi-tasking tectons","Chem.Commun.","2011","47","","4688","","10.1039/c1cc10436e","","","0.71073","MoKα","","0.2491","0.1678","","","0.3734","0.3995","","","","","","1.808","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106258","8.5877","0.0017","24.885","0.005","13.608","0.003","90","","98.8","0.03","90","","2873.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H68 As2 Cl6 N6 -","- C57 H68 As2 Cl6 N6 -","- C114 H136 As4 Cl12 N12 -","2","0.5","","Allison L. Brazeau; Anton S. Nikouline; Paul J. Ragogna","A base-stabilised arsenic(III) dication","Chem.Commun.","2011","47","","4817","","10.1039/c1cc10949a","","","0.71073","MoKα","","0.0935","0.0598","","","0.1508","0.1857","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106259","8.4795","0.0017","11.348","0.002","17.24","0.003","88.43","0.03","79.28","0.03","70.44","0.03","1534.8","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H34 As Cl F3 N3 O3 S -","- C29 H34 As Cl F3 N3 O3 S -","- C58 H68 As2 Cl2 F6 N6 O6 S2 -","2","1","","Allison L. Brazeau; Anton S. Nikouline; Paul J. Ragogna","A base-stabilised arsenic(III) dication","Chem.Commun.","2011","47","","4817","","10.1039/c1cc10949a","","","0.71073","MoKα","","0.1017","0.0599","","","0.1581","0.1966","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106260","46.542","0.006","11.8257","0.0013","17.16","0.002","90","","109.257","0.005","90","","8916.3","1.9","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41 H44 As Cl2 F6 N5 O6 S2 -","- C41 H44 As Cl2 F6 N5 O6 S2 -","- C328 H352 As8 Cl16 F48 N40 O48 S16 -","8","1","","Allison L. Brazeau; Anton S. Nikouline; Paul J. Ragogna","A base-stabilised arsenic(III) dication","Chem.Commun.","2011","47","","4817","","10.1039/c1cc10949a","","","0.71073","MoKα","","0.1432","0.0601","","","0.1351","0.1763","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106261","19.2793","0.0013","25.2623","0.0012","19.4304","0.0019","90","","90.39","0.007","90","","9463.2","1.2","183","2","183","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","(Ag(NO3)(N1-hexyluracil-kappaO4)4)","[Ag(NO3)(N1-hexyluracil-κO4)4]","","- C40 H64 Ag N9 O11 -","- C40 H64 Ag N9 O11 -","- C320 H512 Ag8 N72 O88 -","8","1","","Miquel Barcelo-Oliver; Carolina Estarellas; Angel Terron; Angel Garcia-Raso; Antonio Frontera","RNAs' uracil quartet model with a non-essential metal ion","Chem.Commun.","2011","47","","4646","","10.1039/c1cc10376h","","x-ray","0.7107","MoKα","","0.1031","0.0502","","","0.1169","0.1293","","","","","","0.95","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106262","11.3398","0.0004","9.8085","0.0004","15.1771","0.0008","90","","97.93","0.004","90","","1671.95","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32.7 H30.7 Cl2.1 N2 O10 -","- C32.7 H30.7 Cl2.1 N2 O10 -","- C65.4 H61.4 Cl4.2 N4 O20 -","2","1","","Sarah Pilgrim; Gabriele Kociok-Kohn; Matthew D. Lloyd; Simon E. Lewis","'Inosaminoacids': novel inosito-amino acid hybrid structures accessed by microbial arene oxidation","Chem.Commun.","2011","47","","4799","","10.1039/c1cc10643k","","","1.54184","CuKα","","0.0894","0.0612","","","0.1442","0.1612","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106263","7.8655","0.0002","8.6674","0.0002","11.947","0.0003","90","","90","","90","","814.47","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Sarah Pilgrim; Gabriele Kociok-Kohn; Matthew D. Lloyd; Simon E. Lewis","'Inosaminoacids': novel inositol-amino acid hybrid structures accessed by microbial arene oxidation","Chem.Commun.","2011","47","","4799","","10.1039/c1cc10643k","","","0.71073","MoKα","","0.0304","0.0278","","","0.0712","0.0727","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106264","8.4534","0.0004","12.9782","0.0006","16.2121","0.0007","90","","102.762","0.001","90","","1734.69","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H5 F3 N2 O4 S5 -","- C13 H5 F3 N2 O4 S5 -","- C52 H20 F12 N8 O16 S20 -","4","1","","Xin Yu; Aaron Mailman; Paul A. Dube; Abdeljalil Assoud; Richard T. Oakley","The first semiquinone-bridged bisdithiazolyl radical conductor: a canted antiferromagnet displaying a spin-flop transition","Chem.Commun.","2011","47","","4655","","10.1039/c1cc10598a","","","0.71073","MoKα","","0.0441","0.0366","","","0.0721","0.0758","","","","","","1.164","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106265","6.8011","0.0007","11.3785","0.0012","15.6252","0.0016","90","","90","","90","","1209.2","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Xin Yu; Aaron Mailman; Paul A. Dube; Abdeljalil Assoud; Richard T. Oakley","The first semiquinone-bridged bisdithiazolyl radical conductor: a canted antiferromagnet displaying a spin-flop transition","Chem.Commun.","2011","47","","4655","","10.1039/c1cc10598a","","","0.71073","MoKα","","0.0818","0.0547","","","0.0739","0.0868","","","","","","1.126","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7106266","11.7705","0.001","23.106","0.001","16.2005","0.001","90","","90.12","0.05","90","","4406","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TAM(NO2)3","","","- C37 H36 N3 O6 S12 -","- C37 H36 N3 O6 S12 -","- C148 H144 N12 O24 S48 -","4","1","","Christophe Decroos; Thierry Prange; Daniel Mansuy; Jean-Luc Boucher; Yun Li","Unprecedented Ipso Aromatic Nucleophilic Substitution Upon Oxidative Decarboxylation of Tris-(p-carboxyltetrathiaaryl)methyl (TAM) Radicals: A New Access to Diversely Substituted TAM Radicals","Chem.Commun.","2011","47","","4805","","10.1039/c1cc10426h","","","0.9277","","","0.0637","0.0623","","","0.1715","0.1733","","","","","","1.115","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106267","17.5733","0.0003","17.4274","0.0005","21.4717","0.0004","90","","90.61","0.002","90","","6575.5","0.3","173","2","173","2","","","","","","","","9","P 1 2/n 1","-P 2yac","13","","","","- C115 H110 Au6 B4 Cl12 Cu2 F16 N6 P6 -","- C115 H110 Au6 B4 Cl12 Cu2 F16 N6 P6 -","- C230 H220 Au12 B8 Cl24 Cu4 F32 N12 P12 -","2","0.5","","Jian-Hua Jia; Jing-Xia Liang; Zhen Lei; Ze-Xing Cao; Quan-Ming Wang","Luminescent gold(I)-copper(I) clusters with unprecedented carbon-centered trigonal prismatic hexagold","Chem.Commun.","2011","47","","4739","","10.1039/c1cc10497g","","","0.71073","MoKα","","0.1379","0.0505","","","0.1192","0.1291","","","","","","0.887","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106268","15.3693","0.0002","26.7614","0.0006","27.7995","0.0005","85.8219","0.0016","79.8495","0.0014","87.0514","0.0015","11216.5","0.4","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C114 H108 Au6 B2 Cl2 F8 N6 O P6 -","- C114 H96 Au6 B2 Cl2 F8 N6 O P6 -","- C456 H384 Au24 B8 Cl8 F32 N24 O4 P24 -","4","2","","Jian-Hua Jia; Jing-Xia Liang; Zhen Lei; Ze-Xing Cao; Quan-Ming Wang","Luminescent gold(I)-copper(I) clusters with unprecedented carbon-centered trigonal prismatic hexagold","Chem.Commun.","2011","47","","4739","","10.1039/c1cc10497g","","","0.71073","MoKα","","0.1655","0.0536","","","0.0966","0.1099","","","","","","0.791","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106269","15.7378","0.0003","24.8385","0.0007","16.3084","0.0004","90","","94.3012","0.0019","90","","6357.1","0.3","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C115 H108 Au6 B4 Cl12 Cu2 F16 N6 P6 -","- C115 H108 Au6 B4 Cl12 Cu2 F16 N6 P6 -","- C230 H216 Au12 B8 Cl24 Cu4 F32 N12 P12 -","2","0.5","","Jian-Hua Jia; Jing-Xia Liang; Zhen Lei; Ze-Xing Cao; Quan-Ming Wang","Luminescent gold(I)-copper(I) clusters with unprecedented carbon-centered trigonal prismatic hexagold","Chem.Commun.","2011","47","","4739","","10.1039/c1cc10497g","","","0.71073","MoKα","","0.0759","0.0437","","","0.1018","0.108","","","","","","0.97","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106270","13.9831","0.0009","30.543","0.002","27.9915","0.0018","90","","101.349","0.003","90","","11721","1.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H30 Cu2 O11 -","- C50 H30 Cu2 O11 -","- C400 H240 Cu16 O88 -","8","1","","Weigang Lu; Daqiang Yuan; Andrey A. Yakovenko; Hong-Cai Zhou","Surface functionalization of metal-organic polyhedron for homogeneous cyclopropanation catalysis","Chem.Commun.","2011","47","","4968","","10.1039/c1cc00030f","","","0.71073","MoKα","","0.1151","0.0603","","","0.1497","0.1669","","","","","","0.8","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106271","25.16","0.003","25.16","0.003","25.726","0.003","90","","90","","90","","16285","3","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C104 H72 Cu4 O24 S2 -","- C104 H72 Cu4 O24 S2 -","- C416 H288 Cu16 O96 S8 -","4","0.25","","Weigang Lu; Daqiang Yuan; Andrey A. Yakovenko; Hong-Cai Zhou","Surface functionalization of metal–organic polyhedron for homogeneous cyclopropanation catalysis","Chem.Commun.","2011","47","","4968","","10.1039/c1cc00030f","","","0.71073","MoKα","","0.151","0.0655","","","0.1484","0.1683","","","","","","0.795","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106272","14.852","0.003","16.673","0.003","17.458","0.006","110.385","0.004","103.907","0.004","108.85","0.003","3518.5","1.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H86 Cu4 N2 O28 -","- C118 H86 Cu4 N2 O28 -","- C118 H86 Cu4 N2 O28 -","1","0.5","","Weigang Lu; Daqiang Yuan; Andrey A. Yakovenko; Hong-Cai Zhou","Surface functionalization of metal–organic polyhedron for homogeneous cyclopropanation catalysis","Chem.Commun.","2011","47","","4968","","10.1039/c1cc00030f","","","0.71073","MoKα","","0.1458","0.071","","","0.1361","0.1494","","","","","","1.012","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106273","26.047","0.005","18.101","0.003","33.213","0.006","90","","105.478","0.002","90","","15091","5","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C124 H96 Cu4 O28 -","- C124 H96 Cu4 O28 -","- C496 H384 Cu16 O112 -","4","0.5","","Weigang Lu; Daqiang Yuan; Andrey A. Yakovenko; Hong-Cai Zhou","Surface functionalization of metal–organic polyhedron for homogeneous cyclopropanation catalysis","Chem.Commun.","2011","47","","4968","","10.1039/c1cc00030f","","","0.71073","MoKα","","0.1718","0.0935","","","0.2008","0.2195","","","","","","1.035","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106274","15.2237","0.0009","28.9086","0.0017","36.303","0.002","90","","100.644","0.001","90","","15701.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C169 H191 Cu4 N4 O29 -","- C169 H191 Cu4 N4 O29 -","- C676 H764 Cu16 N16 O116 -","4","1","","Weigang Lu; Daqiang Yuan; Andrey A. Yakovenko; Hong-Cai Zhou","Surface functionalization of metal–organic polyhedron for homogeneous cyclopropanation catalysis","Chem.Commun.","2011","47","","4968","","10.1039/c1cc00030f","","","0.71073","MoKα","","0.1755","0.1167","","","0.2248","0.2461","","","","","","1.018","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106275","12.2042","0.0008","13.0515","0.0004","13.7709","0.0005","111.691","0.001","107.54","0.002","97.984","0.002","1864.24","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H16.5 Ag0.75 F4.5 N1.5 O4.5 Sb0.75 -","- C15 H16.5 Ag0.75 F4.5 N1.5 O4.5 Sb0.75 -","- C60 H66 Ag3 F18 N6 O18 Sb3 -","4","2","","Mihai Raducan; Carles Rodriguez-Escrich; Xacobe C. Cambeiro; Eduardo C. Escudero-Adan; Miquel A. Pericas; Antonio M. Echavarren","A Multipurpose Gold(I) Precatalyst","Chem.Commun.","2011","47","","4893","","10.1039/c1cc10293a","","","0.71073","MoKα","","0.0195","0.0183","","","0.0484","0.0491","","","","","","1.033","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7106276","18.087","0.0008","12.983","0.00006","51.775","0.0019","90","","93.39","","90","","12136.7","0.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C188 H244 Au4 F24 N4 O28 P4 Sb4 -","- C188 H244 Au4 F24 N4 O28 P4 Sb4 -","- C376 H488 Au8 F48 N8 O56 P8 Sb8 -","2","1","","Mihai Raducan; Carles Rodriguez-Escrich; Xacobe C. Cambeiro; Eduardo C. Escudero-Adan; Miquel A. Pericas; Antonio M. Echavarren","A Multipurpose Gold(I) Precatalyst","Chem.Commun.","2011","47","","4893","","10.1039/c1cc10293a","","","0.7378","synchrotron","","0.1494","0.1023","","","0.2732","0.2947","","","","","","1.09","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106277","7.7991","0.0008","8.8395","0.001","7.9925","0.0008","90","","110.506","0.002","90","","516.09","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Ag F6 N2 Sb -","- C4 H6 Ag F6 N2 Sb -","- C8 H12 Ag2 F12 N4 Sb2 -","2","0.5","","Mihai Raducan; Carles Rodriguez-Escrich; Xacobe C. Cambeiro; Eduardo C. Escudero-Adan; Miquel A. Pericas; Antonio M. Echavarren","A Multipurpose Gold(I) Precatalyst","Chem.Commun.","2011","47","","4893","","10.1039/c1cc10293a","","","0.71073","MoKα","","0.0278","0.0235","","","0.0645","0.068","","","","","","1.079","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7106278","7.4956","0.0003","8.7019","0.0003","10.6582","0.0004","98.076","0.002","106.973","0.002","103.527","0.002","629.96","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 Au F6 N2 O6 Sb -","- C20 H22 Au F6 N2 O6 Sb -","- C20 H22 Au F6 N2 O6 Sb -","1","0.5","","Mihai Raducan; Carles Rodriguez-Escrich; Xacobe C. Cambeiro; Eduardo C. Escudero-Adan; Miquel A. Pericas; Antonio M. Echavarren","A Multipurpose Gold(I) Precatalyst","Chem.Commun.","2011","47","","4893","","10.1039/c1cc10293a","","","0.71073","MoKα","","0.0306","0.0281","","","0.0728","0.0751","","","","","","1.054","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7106279","15.4059","0.0019","9.8558","0.0014","18.998","0.002","90","","109.495","0.007","90","","2719.2","0.6","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Cl2 Mg2 N6 O2 -","- C22 H40 Cl2 Mg2 N6 O2 -","- C88 H160 Cl8 Mg8 N24 O8 -","4","1","","Benjamin M. Day; Natalie E. Mansfield; Martyn P. Coles; Peter B. Hitchcock","Bicyclic guanidinate compounds of magnesium and their activity as pre-catalysts in the Tishchenko reaction","Chem.Commun.","2011","47","","4995","","10.1039/c0cc04789a","","x-ray","0.71073","MoKα","","0.0929","0.0754","","","0.1909","0.2047","","","","","","1.09","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106280","9.4134","0.0001","17.0471","0.0002","21.1472","0.0003","90","","90","","90","","3393.52","0.07","173","2","173","2","","","","","","","synthesis as described","6","P n a n","-P 2n 2bc","52","","","","- C26 H48 Br2 Mg2 N6 O4 -","- C26 H48 Br2 Mg2 N6 O4 -","- C104 H192 Br8 Mg8 N24 O16 -","4","0.5","","Benjamin M. Day; Natalie E. Mansfield; Martyn P. Coles; Peter B. Hitchcock","Bicyclic guanidinate compounds of magnesium and their activity as pre-catalysts in the Tishchenko reaction","Chem.Commun.","2011","47","","4995","","10.1039/c0cc04789a","","x-ray","0.7107","MoKα","","0.0766","0.0629","","","0.188","0.2024","","","","","","0.977","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106281","12.345","0.0002","16.7408","0.0003","18.0363","0.0004","90","","90","","90","","3727.48","0.12","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C26 H60 Mg2 N8 Si4 -","- C26 H60 Mg2 N8 Si4 -","- C104 H240 Mg8 N32 Si16 -","4","0.5","","Benjamin M. Day; Natalie E. Mansfield; Martyn P. Coles; Peter B. Hitchcock","Bicyclic guanidinate compounds of magnesium and their activity as pre-catalysts in the Tishchenko reaction","Chem.Commun.","2011","47","","4995","","10.1039/c0cc04789a","","x-ray","0.71073","MoKα","","0.043","0.033","","","0.0818","0.0868","","","","","","1.08","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106282","11.6231","0.0003","11.1599","0.0002","17.1244","0.0004","90","","103.218","0.001","90","","2162.4","0.09","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H68 Mg2 N8 O2 Si4 -","- C30 H68 Mg2 N8 O2 Si4 -","- C60 H136 Mg4 N16 O4 Si8 -","2","0.5","","Benjamin M. Day; Natalie E. Mansfield; Martyn P. Coles; Peter B. Hitchcock","Bicyclic guanidinate compounds of magnesium and their activity as pre-catalysts in the Tishchenko reaction","Chem.Commun.","2011","47","","4995","","10.1039/c0cc04789a","","x-ray","0.71073","MoKα","","0.0569","0.0501","","","0.1239","0.13","","","","","","1.031","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106283","14.325","0.0011","12.745","0.0012","15.7313","0.0014","90","","90","","90","","2872.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H23 In O2 -","- C13 H23 In O2 -","- C104 H184 In8 O16 -","8","1","","Peckermann, Ilja; Raabe, Gerhard; Spaniol, Thomas P.; Okuda, Jun","Tris(allyl) indium compounds: synthesis and structural characterization","Chemical Communications (Cambridge, United Kingdom)","2011","47","17","5061","5063","10.1039/c1cc00039j","","","0.71073","MoKα","","0.0734","0.0295","","","0.0574","0.0676","","","","","","0.986","","","","has coordinates","210838","2020-10-21","18:00:00",""
"7106284","11.9647","0.0009","9.911","0.0009","10.7594","0.0011","90","","95.407","0.004","90","","1270.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 In -","- C12 H21 In -","- C48 H84 In4 -","4","1","","Peckermann, Ilja; Raabe, Gerhard; Spaniol, Thomas P.; Okuda, Jun","Tris(allyl) indium compounds: synthesis and structural characterization","Chemical Communications (Cambridge, United Kingdom)","2011","47","17","5061","5063","10.1039/c1cc00039j","","","0.71073","MoKα","","0.02","0.0185","","","0.0462","0.048","","","","","","1.069","","","","has coordinates","210838","2020-10-21","18:00:00",""
"7106285","13.681","0.005","18.53","0.006","17.295","0.006","90","","110.34","0.005","90","","4111","2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl4 In4 O4 -","- C32 H56 Cl4 In4 O4 -","- C128 H224 Cl16 In16 O16 -","4","1","","Peckermann, Ilja; Raabe, Gerhard; Spaniol, Thomas P.; Okuda, Jun","Tris(allyl) indium compounds: synthesis and structural characterization","Chemical Communications (Cambridge, United Kingdom)","2011","47","17","5061","5063","10.1039/c1cc00039j","","","0.71073","MoKα","","0.1622","0.0725","","","0.1553","0.2078","","","","","","1.042","","","","has coordinates,has disorder","210838","2020-10-21","18:00:00",""
"7106286","12.5676","0.0011","7.0425","0.0006","19.9582","0.0018","90","","94.987","0.001","90","","1759.8","0.3","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Palash Sanphui; N. Rajesh Goud; U. B. Rao Khandavilli; Sreenu Bhanoth; Ashwini Nangia","New polymorphs of curcumin","Chem.Commun.","2011","47","","5013","","10.1039/c1cc10204d","","","0.71073","MoKα","","0.0483","0.0435","","","0.1127","0.1163","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106287","35.417","0.003","7.7792","0.0007","12.6482","0.0011","90","","90","","90","","3484.8","0.5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C168 H160 O48 -","8","2","","Palash Sanphui; N. Rajesh Goud; U. B. Rao Khandavilli; Sreenu Bhanoth; Ashwini Nangia","New polymorphs of curcumin","Chem.Commun.","2011","47","","5013","","10.1039/c1cc10204d","","","0.71073","MoKα","","0.0584","0.0524","","","0.1216","0.1249","","","","","","1.07","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106288","12.536","0.003","7.9916","0.0017","34.462","0.007","90","","90","","90","","3452.5","1.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C168 H160 O48 -","8","1","","Palash Sanphui; N. Rajesh Goud; U. B. Rao Khandavilli; Sreenu Bhanoth; Ashwini Nangia","New polymorphs of curcumin","Chem.Commun.","2011","47","","5013","","10.1039/c1cc10204d","","","0.71073","MoKα","","0.2681","0.0893","","","0.1125","0.1681","","","","","","0.93","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106289","11.3358","0.0002","11.3358","0.0002","24.9541","0.0009","90","","90","","90","","3206.61","0.14","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C28 H32 Co2 N8 O12 -","- C22 H20 Co2 N4 O10 -","- C88 H80 Co8 N16 O40 -","4","0.5","","Yao Kang; Shumei Chen; Fei Wang; Jian Zhang; Xianhui Bu","Induction in Urothermal Synthesis of Homochiral Porous Materials from Achiral Precursors","Chem.Commun.","2011","47","","4950","","10.1039/c1cc10486a","","","0.71073","MoKα","","0.1346","0.0989","","","0.2621","0.2844","","","","","","1.153","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106290","11.314","0.0002","11.314","0.0002","25.2429","0.001","90","","90","","90","","3231.26","0.15","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C28 H32 Co2 N8 O12 -","- C28 H20 Co2 N8 O12 -","- C112 H80 Co8 N32 O48 -","4","0.5","","Yao Kang; Shumei Chen; Fei Wang; Jian Zhang; Xianhui Bu","Induction in Urothermal Synthesis of Homochiral Porous Materials from Achiral Precursors","Chem.Commun.","2011","47","","4950","","10.1039/c1cc10486a","","","0.71073","MoKα","","0.0733","0.0565","","","0.1499","0.1588","","","","","","1.018","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106291","11.3108","0.0002","11.3108","0.0002","25.238","0.0012","90","","90","","90","","3228.8","0.17","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C28 H26 Co2 N8 O12 -","- C24 H20 Co2 N8 O12 -","- C96 H80 Co8 N32 O48 -","4","0.5","","Yao Kang; Shumei Chen; Fei Wang; Jian Zhang; Xianhui Bu","Induction in Urothermal Synthesis of Homochiral Porous Materials from Achiral Precursors","Chem.Commun.","2011","47","","4950","","10.1039/c1cc10486a","","","0.71073","MoKα","","0.0692","0.0569","","","0.1532","0.1584","","","","","","1.136","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106292","33.436","0.004","5.8453","0.0006","17.8776","0.0019","90","","96.269","0.002","90","","3473.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 N6 O4 -","- C41 H38 N6 O4 -","- C164 H152 N24 O16 -","4","1","","Fatima Garcia; M. Rosario Torres; Emilio Matesanz; Luis Sanchez","Aryl triazole amphiphiles: Planar sheets, spheres and anion binding","Chem.Commun.","2011","47","","5016","","10.1039/c0cc05685e","","","0.71073","MoKα","","0.2415","0.0906","","","0.2322","0.3279","","","","","","1.019","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106293","6.2731","0.0002","16.1518","0.0006","24.6855","0.0009","90","","90","","90","","2501.18","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O4 S -","- C30 H28 O4 S -","- C120 H112 O16 S4 -","4","1","","Shi-Kai Xiang; Bo Zhang; Li-He Zhang; Yuxin Cui; Ning Jiao","The Versitale Roles Performance of Ammonium Salt Catalysts in Enantioselective Reduction and Alkylation of a,b-Unsaturated Aldehydes: Iminium Catalysis, Enamine Catalysis and Acid Catalysis","Chem.Commun.","2011","47","","5007","","10.1039/c1cc10124b","","","0.71073","MoKα","","0.0476","0.037","","","0.0803","0.0838","","","","","","1.192","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106294","4.972","0.004","13.87","0.01","19.934","0.014","90","","90","","90","","1374.7","1.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Chang-Bin Yu; Kao Gao; Duo-Sheng Wang; Lei Shi; Yong-Gui Zhou","Enantioselective Pd-catalyzed hydrogenation of enesulfonamides","Chem.Commun.","2011","47","","5052","","10.1039/c1cc10313j","","","0.71073","MoKα","","0.0907","0.0588","","","0.1139","0.1275","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106295","7.673","0.004","11.669","0.006","11.687","0.005","75.194","0.012","73.861","0.012","82.003","0.013","969.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N O3 S -","- C19 H27 N O3 S -","- C38 H54 N2 O6 S2 -","2","1","","Kimihiro Komeyama Yuusuke Kouya Yuuki Ohama Ken Takaki","Tandem ene-reaction/hydroamination of amino-olefin and -allene compounds catalyzed by Bi(OTf)3","Chem.Commun.","2011","47","","5031","","10.1039/c0cc05258b","","","0.7107","MoKα","","0.0681","0.0594","","","0.1746","0.1841","","","","","","1.002","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106296","11.2942","0.0003","12.4744","0.0004","12.8671","0.0004","84.723","0.002","79.65","0.003","88.404","0.002","1775.65","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N10 O16 S -","- C29 H30 N10 O16 S -","- C58 H60 N20 O32 S2 -","2","1","","Sandeep Kumar Dey Gopal Das","A selective fluoride encapsulated neutral tripodal receptor capsule: solvatochromism and solvatomorphism","Chem.Commun.","2011","47","","4983","","10.1039/c0cc05430e","","","0.71073","MoKα","","0.0861","0.0508","","","0.1341","0.151","","","","","","0.911","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106297","16.129","0.003","15.781","0.002","25.393","0.004","90","","127.592","0.009","90","","5121.4","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 F N11 O16 -","- C43 H60 F N11 O16 -","- C172 H240 F4 N44 O64 -","4","1","","Sandeep Kumar Dey Gopal Das","A selective fluoride encapsulated neutral tripodal receptor capsule: solvatochromism and solvatomorphism","Chem.Commun.","2011","47","","4983","","10.1039/c0cc05430e","","","0.71073","MoKα","","0.1197","0.0603","","","0.1636","0.2034","","","","","","1.008","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106298","10.0759","0.0003","16.7929","0.0006","16.8986","0.0005","79.197","0.002","78.461","0.003","89.753","0.002","2750.23","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H67 F N12 O16 -","- C46 H67 F N12 O16 -","- C92 H134 F2 N24 O32 -","2","1","","Sandeep Kumar Dey Gopal Das","A selective fluoride encapsulated neutral tripodal receptor capsule: solvatochromism and solvatomorphism","Chem.Commun.","2011","47","","4983","","10.1039/c0cc05430e","","","0.71073","MoKα","","0.1917","0.0693","","","0.1625","0.1841","","","","","","1.011","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106299","10.0221","0.0009","33.279","0.003","19.4872","0.0016","90","","90.12","0.02","90","","6499.5","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H84 F N11 O18 -","- C55 H84 F N11 O18 -","- C220 H336 F4 N44 O72 -","4","1","","Sandeep Kumar Dey Gopal Das","A selective fluoride encapsulated neutral tripodal receptor capsule: solvatochromism and solvatomorphism","Chem.Commun.","2011","47","","4983","","10.1039/c0cc05430e","","","0.71073","MoKα","","0.2386","0.0835","","","0.1677","0.1919","","","","","","1.043","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106300","7.7173","0.0003","8.8634","0.0003","19.0154","0.0006","90","","93.35","0.002","90","","1298.46","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MB-I-47","bergman03","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Mikael Brasse; Jonathan Ellman; Robert Bergman","A Facile, Metal- and Solvent Free, Autoxidative Coupling of Quinolines with Indoles and Pyrroles","Chem.Commun.","2011","47","","5019","","10.1039/c1cc10507h","","","1.54178","CuKα","","0.0349","0.0324","","","0.0837","0.0865","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7106301","8.5493","0.001","9.389","0.0011","22.288","0.002","90","","97.85","0.007","90","","1772.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MB-II-194","bergman05","","- C22 H16 Cl2 N2 -","- C22 H16 Cl2 N2 -","- C88 H64 Cl8 N8 -","4","1","","Mikael Brasse; Jonathan Ellman; Robert Bergman","A Facile, Metal- and Solvent Free, Autoxidative Coupling of Quinolines with Indoles and Pyrroles","Chem.Commun.","2011","47","","5019","","10.1039/c1cc10507h","","","1.54178","CuKα","","0.0452","0.0371","","","0.097","0.1084","","","","","","1.071","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7106303","10.713","0.006","9.556","0.007","23.622","0.006","90","","99.24","0.03","90","","2387","2","299.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N4 O2 -","- C10 H18 N4 O2 -","- C80 H144 N32 O16 -","8","1","","Nagatoshi Nishiwaki; Shotaro Hirao; Jun Sawayama; Kazuhiko Saigo; Kazuya Kobiro","Bicyclization involving pseudo-intramolecular imination with diamines","Chem.Commun.","2011","47","","4938","","10.1039/c1cc10705d","","","0.71069","MoKα","","","0.0626","","","","0.1838","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106304","11.51","0.005","13.619","0.007","11.172","0.004","90","","111.68","0.03","90","","1627.4","1.3","298.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","4","1","","Nagatoshi Nishiwaki; Shotaro Hirao; Jun Sawayama; Kazuhiko Saigo; Kazuya Kobiro","Bicyclization involving pseudo-intramolecular imination with diamines","Chem.Commun.","2011","47","","4938","","10.1039/c1cc10705d","","","0.71069","MoKa","","","0.0476","","","","0.0538","","","","","","0.938","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106305","11.6223","0.0006","7.8255","0.0004","19.9457","0.001","90","","102.228","0.002","90","","1772.91","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl N2 O2 -","- C22 H15 Cl N2 O2 -","- C88 H60 Cl4 N8 O8 -","4","1","","K. Siva Kumar; P. Mahesh Kumar; K. Anil Kumar; M. Sreenivasulu; Ahamed A. Jafar; D. Rambabu; G. Rama Krishna; C. Malla Reddy; Ravikumar Kapavarapu; K. Shivakumar; K. Krishna Priya; Kishore V. L. Parsa; Manojit Pal","A new three-component reaction: Green synthesis of novel isoindolo[2,1-a]quinazoline derivatives as potent inhibitors of TNF-a","Chem.Commun.","2011","47","","5010","","10.1039/c1cc10715a","","","0.71073","MoKα","","0.0535","0.0472","","","0.1524","0.1616","","","","","","1.03","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106306","21.631","0.005","7.5648","0.0012","22.783","0.004","90","","90","","90","","3728.1","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Cl N2 O3 -","- C22 H17 Cl N2 O3 -","- C176 H136 Cl8 N16 O24 -","8","1","","K. Siva Kumar; P. Mahesh Kumar; K. Anil Kumar; M. Sreenivasulu; Ahamed A. Jafar; D. Rambabu; G. Rama Krishna; C. Malla Reddy; Ravikumar Kapavarapu; K. Shivakumar; K. Krishna Priya; Kishore V. L. Parsa; Manojit Pal","A new three-component reaction: Green synthesis of novel isoindolo[2,1-a]quinazoline derivatives as potent inhibitors of TNF-a","Chem.Commun.","2011","47","","5010","","10.1039/c1cc10715a","","","0.71073","MoKα","","0.084","0.0523","","","0.1278","0.1509","","","","","","0.967","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106307","9.6423","0.0001","11.1483","0.0002","16.3073","0.0003","107.031","0.0006","90.9663","0.0007","113.441","0.0007","1519.88","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ti(NOtBu)Cl2(NHMe2)2","","- C8 H23 Cl2 N3 O Ti -","- C8 H23 Cl2 N3 O Ti -","- C32 H92 Cl8 N12 O4 Ti4 -","4","2","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium alkoxyimido (Ti=N-OR) complexes: reductive N-O bond cleavage at the boundary between hydrazide and peroxide ligands","Chem.Commun.","2011","47","","4926","","10.1039/c1cc10862j","","","0.71073","MoKα","","0.0927","0.0464","","0.1192","0.0446","0.0407","","","","","","1.1278","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106308","8.7962","0.0001","21.8932","0.0003","11.4868","0.0002","90","","97.1358","0.0006","90","","2194.96","0.05","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ti(NOtBu)Cl2(py)3","","- C19 H24 Cl2 N4 O Ti -","- C19 H24 Cl2 N4 O Ti -","- C76 H96 Cl8 N16 O4 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium alkoxyimido (Ti=N-OR) complexes: reductive N-O bond cleavage at the boundary between hydrazide and peroxide ligands","Chem.Commun.","2011","47","","4926","","10.1039/c1cc10862j","","","0.71073","MoKα","","0.0675","0.0376","","0.0673","0.0335","0.0307","","","","","","1.1111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106309","10.055","0.0002","15.5409","0.0003","17.4207","0.0004","90","","90","","90","","2722.22","0.1","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ti(N2NMe)(NOtBu)(py)","","- C20 H43 N5 O Si2 Ti -","- C20 H43 N5 O Si2 Ti -","- C80 H172 N20 O4 Si8 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium alkoxyimido (Ti=N-OR) complexes: reductive N-O bond cleavage at the boundary between hydrazide and peroxide ligands","Chem.Commun.","2011","47","","4926","","10.1039/c1cc10862j","","","0.71073","MoKα","","0.0696","0.0457","","0.079","0.0513","0.0457","","","","","","0.9268","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106310","9.8318","0.0001","17.1954","0.0002","17.3784","0.0002","90","","102.963","0.0007","90","","2863.15","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ti{MeN(CH2CH2NSiMe3)(CH2CH2NC(Me)C(Ph)NSiMe3)(OtBu)","","- C24 H46 N4 O Si2 Ti -","- C24 H46 N4 O Si2 Ti -","- C96 H184 N16 O4 Si8 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium alkoxyimido (Ti=N-OR) complexes: reductive N-O bond cleavage at the boundary between hydrazide and peroxide ligands","Chem.Commun.","2011","47","","4926","","10.1039/c1cc10862j","","","0.71073","MoKα","","0.0626","0.0439","","0.0575","0.0435","0.0412","","","","","","1.1347","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106311","11.6486","0.0014","17.609","0.002","10.5835","0.0013","90","","110.272","0.002","90","","2036.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co N7 O2 -","- C18 H16 Co N7 O2 -","- C72 H64 Co4 N28 O8 -","4","1","","Shui-Sheng Chen; Min Chen; Satoshi Takamizawa; Peng Wang; Gao-Chao Lv; Wei-Yin Sun","Porous cobalt(II)-imidazolate supramolecular isomeric frameworks with selective gas sorption property","Chem.Commun.","2011","47","","4902","","10.1039/c1cc10899a","","","0.71073","MoKα","","0.0562","0.0527","","","0.1529","0.1559","","","","","","1.063","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106312","23.3452","0.001","23.3452","0.001","14.9359","0.0013","90","","90","","90","","8140","0.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C15 H14 Co N6 O2 -","- C15 H9 Co N6 O2 -","- C240 H144 Co16 N96 O32 -","16","1","","Shui-Sheng Chen; Min Chen; Satoshi Takamizawa; Peng Wang; Gao-Chao Lv; Wei-Yin Sun","Porous cobalt(II)-imidazolate supramolecular isomeric frameworks with selective gas sorption property","Chem.Commun.","2011","47","","4902","","10.1039/c1cc10899a","","","0.71073","MoKα","","0.0707","0.0568","","","0.1614","0.1707","","","","","","1.113","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106313","8.281","0.003","17.475","0.006","12.655","0.004","90","","101.793","0.004","90","","1792.7","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Zhongxuan Xu; Kun Huang; Tong Liu; Mingjin Xie; Hongbin Zhang","Synthesis of spirocyclic ?-keto-lactams: copper catalyzed process","Chem.Commun.","2011","47","","4923","","10.1039/c1cc10916b","","","0.71073","MoKα","","0.1003","0.053","","","0.1073","0.1285","","","","","","1.017","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106314","15.406","0.003","11.1729","0.0019","19.3","0.003","90","","90","","90","","3322.1","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C152 H152 N8 O24 -","8","1","","Zhongxuan Xu; Kun Huang; Tong Liu; Mingjin Xie; Hongbin Zhang","Synthesis of spirocyclic ?-keto-lactams: copper catalyzed process","Chem.Commun.","2011","47","","4923","","10.1039/c1cc10916b","","","0.71073","MoKα","","0.1621","0.066","","","0.126","0.1616","","","","","","1.01","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106315","15.443","0.004","12.425","0.003","11.835","0.003","90","","96.774","0.004","90","","2255","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C108 H100 N4 O20 -","4","1","","Zhongxuan Xu; Kun Huang; Tong Liu; Mingjin Xie; Hongbin Zhang","Synthesis of spirocyclic ?-keto-lactams: copper catalyzed process","Chem.Commun.","2011","47","","4923","","10.1039/c1cc10916b","","","0.71073","MoKα","","0.2356","0.0667","","","0.1269","0.1882","","","","","","0.9","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106316","11.3198","0.0005","13.9651","0.0007","14.8228","0.0007","90","","104.049","0.001","90","","2273.13","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O7 S -","- C24 H27 N O7 S -","- C96 H108 N4 O28 S4 -","4","1","","Lei Li; Xingxing Wu; Junliang Zhang","Lewis Acid - Catalyzed Formal [3+2] Cycloadditions of N-Tosyl Aziridines with Electron-rich Alkenes via Selective Carbon-Carbon Bond Cleavage","Chem.Commun.","2011","47","","5049","","10.1039/c1cc10926j","","","0.71073","MoKα","","0.0442","0.0381","","","0.1032","0.11","","","","","","1.035","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106317","10.2984","0.0003","12.7982","0.0003","17.1922","0.0005","90","","93.109","0.001","90","","2262.61","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O7 S -","- C23 H27 N O7 S -","- C92 H108 N4 O28 S4 -","4","1","","Lei Li; Xingxing Wu; Junliang Zhang","Lewis Acid - Catalyzed Formal [3+2] Cycloadditions of N-Tosyl Aziridines with Electron-rich Alkenes via Selective Carbon-Carbon Bond Cleavage","Chem.Commun.","2011","47","","5049","","10.1039/c1cc10926j","","","0.71073","MoKα","","0.0437","0.0366","","","0.0965","0.1041","","","","","","1.04","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106318","5.6878","0.0001","9.3529","0.0008","24.3327","0.0004","90","","90.498","0.001","90","","1294.39","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O5 S -","- C12 H12 N2 O5 S -","- C48 H48 N8 O20 S4 -","4","1","","Koji Tsukamoto; Yuka Shinohara; Shogo Iwasaki; Hatsuo Maeda","A coumarin-based fluorescent probe for Hg2+ and Ag+ with an N'-acetylthioureido group as a fluorescence switch","Chem.Commun.","2011","47","","5073","","10.1039/c1cc10933b","","","1.54178","CuKα","","0.092","0.0503","","","0.1331","0.2058","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106319","7.9012","0.0001","16.4201","0.0003","9.3473","0.0002","90","","92.804","0.001","90","","1211.25","0.04","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C48 H48 N8 O12 S4 -","4","1","","Koji Tsukamoto; Yuka Shinohara; Shogo Iwasaki; Hatsuo Maeda","A coumarin-based fluorescent probe for Hg2+ and Ag+ with an N'-acetylthioureido group as a fluorescence switch","Chem.Commun.","2011","47","","5073","","10.1039/c1cc10933b","","","1.54178","CuKα","","0.0396","0.0368","","","0.1036","0.1059","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106320","7.4591","0.0001","9.1454","0.0002","11.2359","0.0002","92.042","0.001","106.96","0.001","94.588","0.001","729.39","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C26 H28 N4 O10 S2 -","2","1","","Koji Tsukamoto; Yuka Shinohara; Shogo Iwasaki; Hatsuo Maeda","A coumarin-based fluorescent probe for Hg2+ and Ag+ with an N'-acetylthioureido group as a fluorescence switch","Chem.Commun.","2011","47","","5073","","10.1039/c1cc10933b","","","1.54178","CuKα","","0.0458","0.0436","","","0.1278","0.1308","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106321","6.2937","0.0007","18.5171","0.0021","13.7626","0.0016","90","","101.902","0.006","90","","1569.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O6 -","- C15 H17 N3 O6 -","- C60 H68 N12 O24 -","4","1","","Koji Tsukamoto; Yuka Shinohara; Shogo Iwasaki; Hatsuo Maeda","A coumarin-based fluorescent probe for Hg2+ and Ag+ with an N'-acetylthioureido group as a fluorescence switch","Chem.Commun.","2011","47","","5073","","10.1039/c1cc10933b","","","1.54178","CuKα","","0.0645","0.0444","","","0.1203","0.1379","","","","","","1.093","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106322","9.6895","0.0012","11.8611","0.0014","11.9531","0.0013","100.553","0.006","92.229","0.006","91.219","0.006","1348.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis[3{5}-(pyrid-2-yl)-5{3}-tertbutylpyrazolido]bromotrisilver(I)","","- C24 H28 Ag3 Br N6 -","- C24 H28 Ag3 Br N6 -","- C48 H56 Ag6 Br2 N12 -","2","1","","James J. Henkelis; Colin A. Kilner; Malcolm A. Halcrow","New Insights into the Aggregation of Silver Pyrazolides Using Sterically Hindered Bidentate Pyrazole Ligands","Chem.Commun.","2011","47","","5187","","10.1039/c1cc00054c","","","0.71073","MoKα","","0.0734","0.0586","","","0.1776","0.1909","","","","","","1.061","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106323","12.9535","0.0013","9.6805","0.0009","21.741","0.002","90","","99.199","0.005","90","","2691.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[3{5}-(pyrid-2-yl)-5{3}-tertbutylpyrazolido]bromotrisilver(I)","","- C24 H28 Ag3 Br N6 -","- C24 H28 Ag3 Br N6 -","- C96 H112 Ag12 Br4 N24 -","4","1","","James J. Henkelis; Colin A. Kilner; Malcolm A. Halcrow","New Insights into the Aggregation of Silver Pyrazolides Using Sterically Hindered Bidentate Pyrazole Ligands","Chem.Commun.","2011","47","","5187","","10.1039/c1cc00054c","","","0.71073","MoKα","","0.0307","0.0201","","","0.0448","0.0505","","","","","","1.1","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106324","25.17","0.002","17.888","0.0014","24.0804","0.0018","90","","100.925","0.004","90","","10645.5","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Octakis[3-{pyrid-2-yl}-5-tertbutylpyrazolyl]decasilver(I) dichloride","","- C96 H112 Ag10 Cl2 N24 -","- C96 H112 Ag10 Cl1.4 N24 -","- C384 H448 Ag40 Cl5.6 N96 -","4","0.5","","James J. Henkelis; Colin A. Kilner; Malcolm A. Halcrow","New Insights into the Aggregation of Silver Pyrazolides Using Sterically Hindered Bidentate Pyrazole Ligands","Chem.Commun.","2011","47","","5187","","10.1039/c1cc00054c","","","0.71073","MoKα","","0.1106","0.0838","","","0.2603","0.286","","","","","","1.117","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106325","18.6771","0.0012","44.784","0.003","17.1502","0.0011","90","","90","","90","","14345","1.6","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Tetrakis[3-isoquinolinyl-5-tertbutylpyrazolido]tetrasilver(I) hydrate (3/2.7)","","- C64 H69.4 Ag4 N12 O2.7 -","- C64 H64 Ag4 N12 O2.7 -","- C512 H512 Ag32 N96 O21.6 -","8","0.5","","James J. Henkelis; Colin A. Kilner; Malcolm A. Halcrow","New Insights into the Aggregation of Silver Pyrazolides Using Sterically Hindered Bidentate Pyrazole Ligands","Chem.Commun.","2011","47","","5187","","10.1039/c1cc00054c","","","0.71073","MoKα","","0.0466","0.0382","","","0.1129","0.1193","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106326","14.548","0.003","34.324","0.007","34.518","0.007","90","","99.43","0.03","90","","17003","6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C154 H136 F18 N6 O31 Ru6 S6 -","- C154 H136 F18 N6 O31 Ru6 S6 -","- C616 H544 F72 N24 O124 Ru24 S24 -","4","1","","Vaishali Vajpayee; Yoon Jung Yang; Se Chan Kang; Hyunuk Kim; In Su Kim; Ming Wang; Peter J. Stang; Ki-Whan Chi","Hexanuclear self-assembled arene-ruthenium nano-prismatic cages: potential anticancer agents","Chem.Commun.","2011","47","","5184","","10.1039/c1cc10167f","","","0.9","synchrotron","","0.1637","0.1225","","","0.342","0.3731","","","","","","1.263","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106327","23.2603","0.0005","23.2603","0.0005","20.2085","0.0007","90","","90","","90","","10933.6","0.5","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C144 H180 Cu6 N76 O31 -","- C144 H180 Cu6 N76 O31 -","- C288 H360 Cu12 N152 O62 -","2","0.125","","Junhong Fu; Huijun Li; Yajuan Mu; Hongwei Hou; Yaoting Fan","Reversible single crystal to single crystal transformation with anion exchange-induced weak Cu2+ I- interactions and modification of the structures and properties of MOFs","Chem.Commun.","2011","47","","5271","","10.1039/c1cc10251f","","","1.54184","CuKα","","0.0844","0.0701","","","0.1967","0.2121","","","","","","1.017","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106328","23.178","0.003","23.178","0.003","20.105","0.004","90","","90","","90","","10801","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C144 H168 Cu6 I12 N72 O6 -","- C144 H168 Cu6 I12.04 N72 O6 -","- C288 H336 Cu12 I24.08 N144 O12 -","2","0.125","","Junhong Fu; Huijun Li; Yajuan Mu; Hongwei Hou; Yaoting Fan","Reversible single crystal to single crystal transformation with anion exchange-induced weak Cu2+ I- interactions and modification of the structures and properties of MOFs","Chem.Commun.","2011","47","","5271","","10.1039/c1cc10251f","","","0.71073","MoKα","","0.0981","0.0814","","","0.2292","0.2495","","","","","","1.028","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106329","23.0648","0.0013","23.0648","0.0013","19.9962","0.0018","90","","90","","90","","10637.7","1.3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C144 H152 Cu6 N76 O43 -","- C144 H152 Cu6 N76 O43 -","- C288 H304 Cu12 N152 O86 -","2","0.125","","Junhong Fu; Huijun Li; Yajuan Mu; Hongwei Hou; Yaoting Fan","Reversible single crystal to single crystal transformation with anion exchange-induced weak Cu2+ I- interactions and modification of the structures and properties of MOFs","Chem.Commun.","2011","47","","5271","","10.1039/c1cc10251f","","","1.54184","CuKα","","0.1517","0.091","","","0.2161","0.2452","","","","","","1.069","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106330","14.9972","0.0007","9.1664","0.0005","21.561","0.0013","90","","101.587","0.005","90","","2903.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Ag N7 O5 -","- C32 H26 Ag N7 O5 -","- C128 H104 Ag4 N28 O20 -","4","1","","Dario Braga; Simone d'Agostino; Eros D'Amen; Fabrizia Grepioni","Polymorphs from supramolecular gels: four crystal forms of the same silver(I) supergelator crystallized directly from its gels","Chem.Commun.","2011","47","","5154","","10.1039/c1cc10305a","","","0.71073","MoKα","","0.1377","0.0456","","","0.0943","0.1099","","","","","","0.86","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106331","13.8418","0.0012","8.3439","0.0007","25.2079","0.0019","90","","98.141","0.007","90","","2882","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Ag0.5 N3.5 O2.5 -","- C16 H13 Ag0.5 N3.5 O2.5 -","- C128 H104 Ag4 N28 O20 -","8","1","","Dario Braga; Simone d'Agostino; Eros D'Amen; Fabrizia Grepioni","Polymorphs from supramolecular gels: four crystal forms of the same silver(I) supergelator crystallized directly from its gels","Chem.Commun.","2011","47","","5154","","10.1039/c1cc10305a","","","0.71073","MoKα","","0.0892","0.0415","","","0.0843","0.0959","","","","","","0.889","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106332","6.265","","7.879","","15.022","","95.16","","91.58","","94.16","","736.13","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Ag0.5 N3.5 O2.5 -","- C16 H13 Ag0.5 N3.5 O2.5 -","- C32 H26 Ag N7 O5 -","2","1","","Dario Braga; Simone d'Agostino; Eros D'Amen; Fabrizia Grepioni","Polymorphs from supramolecular gels: four crystal forms of the same silver(I) supergelator crystallized directly from its gels","Chem.Commun.","2011","47","","5154","","10.1039/c1cc10305a","","","0.71073","MoKα","","0.1281","0.063","","","0.1946","0.2091","","","","","","0.945","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106333","7.687","0.0003","10.5157","0.0004","18.9647","0.0008","100.092","0.003","101.64","0.003","99.17","0.003","1447.79","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Ag N7 O5 -","- C32 H26 Ag N7 O5 -","- C64 H52 Ag2 N14 O10 -","2","1","","Dario Braga; Simone d'Agostino; Eros D'Amen; Fabrizia Grepioni","Polymorphs from supramolecular gels: four crystal forms of the same silver(I) supergelator crystallized directly from its gels","Chem.Commun.","2011","47","","5154","","10.1039/c1cc10305a","","","0.71073","MoKα","","0.1022","0.0375","","","0.0436","0.0485","","","","","","0.851","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106334","8.2013","0.0016","9.0211","0.0017","19.626","0.004","101.298","0.004","92.107","0.004","93.397","0.004","1419.6","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Cl11 Cu2 N4 O16 -","- C49 H46 Cl11 Cu2 N4 O16 -","- C49 H46 Cl11 Cu2 N4 O16 -","1","0.5","","Hyo Sung Jung; Ji Hye Han; Yoichi Habata; Chulhun Kang; Jong Seung Kim","An iminocoumarin-Cu(II) ensemble-based chemodosimeter toward thiols","Chem.Commun.","2011","47","","5142","","10.1039/c1cc10672d","","","0.71073","MoKα","","0.087","0.0571","","","0.1375","0.1566","","","","","","1.039","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106335","7.8824","0.0004","13.2869","0.0007","17.5082","0.0009","90","","98.799","0.003","90","","1812.1","0.16","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","gold-yj","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Youjung Park; Sun Young Kim; Ji Hoon Park; Jieun Cho; Youn Kyung Kang; Young Keun Chung","Gold(I)-catalyzed cycloisomerization of alkynyl hydroxyallyl tosylamides to 4-oxa-6-azatricyclo[3.3.0.02,8]octanes","Chem.Commun.","2011","47","","5190","","10.1039/c1cc10907c","","","0.71073","MoKα","","0.0996","0.0516","","","0.1192","0.1383","","","","","","1.029","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106336","8.195","0.0012","6.7365","0.0009","12.3971","0.0018","90","","104.452","0.005","90","","662.73","0.16","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C10 H8 Cl4 N2 Re -","- C10 H8 Cl4 N2 Re -","- C20 H16 Cl8 N4 Re2 -","2","1","","Jose Martinez-Lillo; Teresa F. Mastropietro; Rosamaria Lappano; Antonio Madeo; Marta E. Alberto; Nino Russo; Marcello Maggiolini; Giovanni De Munno","Rhenium(IV) compounds inducing apoptosis in cancer cells","Chem.Commun.","2011","47","","5283","","10.1039/c1cc11038a","","","0.71073","MoKα","","0.0177","0.0158","","","0.0278","0.0286","","","","","","0.767","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106337","6.964","0.0002","13.4511","0.0004","17.4989","0.0005","90","","90","","90","","1639.18","0.08","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 Cl4 N2 Re -","- C12 H12 Cl4 N2 Re -","- C48 H48 Cl16 N8 Re4 -","4","0.5","","Jose Martinez-Lillo; Teresa F. Mastropietro; Rosamaria Lappano; Antonio Madeo; Marta E. Alberto; Nino Russo; Marcello Maggiolini; Giovanni De Munno","Rhenium(IV) compounds inducing apoptosis in cancer cells","Chem.Commun.","2011","47","","5283","","10.1039/c1cc11038a","","","0.71073","MoKα","","0.0242","0.0192","","","0.0482","0.051","","","","","","1.18","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106338","7.5973","0.0002","18.9753","0.0006","10.3352","0.0003","90","","108.249","0.001","90","","1415","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl4 N2 Re -","- C12 H8 Cl4 N2 Re -","- C48 H32 Cl16 N8 Re4 -","4","1","","Jose Martinez-Lillo; Teresa F. Mastropietro; Rosamaria Lappano; Antonio Madeo; Marta E. Alberto; Nino Russo; Marcello Maggiolini; Giovanni De Munno","Rhenium(IV) compounds inducing apoptosis in cancer cells","Chem.Commun.","2011","47","","5283","","10.1039/c1cc11038a","","","0.71073","MoKα","","0.0789","0.0721","","","0.1809","0.186","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106339","8.3122","0.0004","10.911","0.0005","11.2874","0.0005","82.551","0.002","68.949","0.002","75.849","0.003","925.4","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 Co O3 -","- C20 H25 Co O3 -","- C40 H50 Co2 O6 -","2","1","","Preeti Chadha; Paul J. Ragogna","Side chain Co(I) polymers featuring acrylate functionalized neutral 18 electron CpCo(C4R4) (R = Ph, Me) units","Chem.Commun.","2011","47","","5301","","10.1039/c1cc11076d","","","0.71073","MoKα","","0.0776","0.0428","","","0.0819","0.0941","","","","","","1.036","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106340","8.384","0.003","10.466","0.003","10.991","0.004","89.811","0.004","78.202","0.004","87.135","0.004","942.8","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H18 O -","- C28 H18 O -","- C56 H36 O2 -","2","1","","Yong Luo; Linxiang Hong; Jie Wu","Efficient generation of indeno[1,2-c]chromenes via Pd-catalyzed reaction of 2-alkynylhalobenzene with 2-alkynylphenol","Chemical Communications","2011","47","18","5298","5300","10.1039/c1cc11169h","","","0.71073","MoKα","","0.0734","0.0484","","","0.1067","0.1161","","","","","","0.979","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106341","16.527","0.003","19.835","0.004","11.011","0.002","90","","103.64","0.003","90","","3507.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H29 Ir2 N5 -","- C45 H29 Ir2 N5 -","- C180 H116 Ir8 N20 -","4","1","","Wei Yang; Songlin Zhang; Yuqiang Ding; Li Shi; Qijun Song","A novel photoluminescent dinuclear phenylquinolyl Ir(II)-Ir(II) complex featuring a m: e1, e2 phenylquinolyl bridge and a head-on dinitrogen ligand","Chemical Communications","2011","47","18","5310","5311","10.1039/c1cc11254f","","","0.71073","MoKα","","0.0389","0.0299","","","0.0708","0.0761","","","","","","1.026","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106342","27.853","0.006","16.823","0.003","20.998","0.004","90","","116.28","0.03","90","","8822","4","566","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co2(btb)(NO3)(DEF)3; (DUT-27)","","","- C42 H48 Co3 N3 O12 -","- C42 H45 Co2 N4 O12 -","- C336 H360 Co16 N32 O96 -","8","1","","Philipp Wollmann; Matthias Leistner; Ulrich Stoeck; Ronny Grunker; Kristina Gedrich; Nicole Klein; Oliver Throl; Wulf Grahlert; Irena Senkovska; Frieder Dreisbach; Stefan Kaskel","High-throughput discovery of porous materials","Chem.Commun.","2011","47","","5151","","10.1039/c1cc10674k","","","0.88561","","","0.0702","0.0677","","","0.18","0.1827","","","","","","1.067","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106343","32.989","0.007","39.08","0.008","27.682","0.006","90","","124.04","0.03","90","","29573","15","293","2","293","2","","","100","","","","","4","C 1 2/m 1","-C 2y","12","Co22(btb)12 (DUT-28(RT))","","","- C162 H90 Co11 O60 -","- C162 H90 Co11 O60 -","- C324 H180 Co22 O120 -","2","0.25","","Philipp Wollmann; Matthias Leistner; Ulrich Stoeck; Ronny Grunker; Kristina Gedrich; Nicole Klein; Oliver Throl; Wulf Grahlert; Irena Senkovska; Frieder Dreisbach; Stefan Kaskel","High-throughput discovery of porous materials","Chem.Commun.","2011","47","","5151","","10.1039/c1cc10674k","","","0.88561","","","0.1026","0.0805","","","0.2367","0.2567","","","","","","1.008","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106344","45.386","0.009","35.904","0.007","33.184","0.007","90","","94.91","0.03","90","","53876","19","293","2","100","","","","100","","","","","4","C 1 2/c 1","-C 2yc","15","Co22(btb)12 (DUT-28(LT))","","","- C162 H90 Co11 O60 -","- C162 H90 Co11 O60 -","- C648 H360 Co44 O240 -","4","0.5","","Philipp Wollmann; Matthias Leistner; Ulrich Stoeck; Ronny Grunker; Kristina Gedrich; Nicole Klein; Oliver Throl; Wulf Grahlert; Irena Senkovska; Frieder Dreisbach; Stefan Kaskel","High-throughput discovery of porous materials","Chem.Commun.","2011","47","","5151","","10.1039/c1cc10674k","","x-ray","0.88561","synchrotron","","0.0926","0.0763","","","0.2133","0.2252","","","","","","1.109","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106345","17.551","0.004","25.356","0.005","21.148","0.004","90","","90","","90","","9411","3","293","2","293","2","","","100","","","","","4","P n m a","-P 2ac 2n","62","Co3O(H2btb)2(H2O)","","","- C54 H30 Co3 O14 -","- C54 H30 Co3 O14 -","- C216 H120 Co12 O56 -","4","0.5","","Philipp Wollmann; Matthias Leistner; Ulrich Stoeck; Ronny Grunker; Kristina Gedrich; Nicole Klein; Oliver Throl; Wulf Grahlert; Irena Senkovska; Frieder Dreisbach; Stefan Kaskel","High-throughput discovery of porous materials","Chem.Commun.","2011","47","","5151","","10.1039/c1cc10674k","","","0.88561","","","0.0784","0.0758","","","0.2221","0.2266","","","","","","1.112","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106346","8.3038","0.0003","10.7343","0.0004","17.4027","0.0007","90","","95.728","0.001","90","","1543.45","0.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C76 H56 O16 -","4","1","","Tao Wang; Cui-Hong Wang; Junliang Zhang","Unexpected C-C bond cleavage of epoxide motif: Rhodium(I)-catalyzed tandem heterocyclization/[4+1] cycloaddition of 1-(1-alkynyl)oxiranyl ketones","Chem.Commun.","2011","47","","5578","","10.1039/c0cc05650b","","","0.71073","MoKα","","0.042","0.0357","","","0.0917","0.0974","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106347","10.0813","0.0012","10.0455","0.0012","22.053","0.003","90","","98.363","0.002","90","","2209.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl3 N O3 P -","- C20 H25 Cl3 N O3 P -","- C80 H100 Cl12 N4 O12 P4 -","4","1","","Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy","To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols","Chem.Commun.","2011","47","","5629","","10.1039/c1cc10230c","","","0.71073","MoKα","","0.0761","0.0689","","","0.1651","0.1702","","","","","","1.091","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106348","10.733","0.004","9.887","0.003","19.893","0.012","90","","109.33","0.04","90","","1992","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N O5 P -","- C20 H23 Cl N O5 P -","- C80 H92 Cl4 N4 O20 P4 -","4","1","","Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy","To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols","Chem.Commun.","2011","47","","5629","","10.1039/c1cc10230c","","","0.71073","MoKα","","0.1376","0.0719","","","0.1616","0.1864","","","","","","0.853","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106349","10.1245","0.0012","10.1712","0.0012","24.0509","0.0019","90","","114.46","0.004","90","","2254.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N O5 P -","- C27 H22 N O5 P -","- C108 H88 N4 O20 P4 -","4","1","","Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy","To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols","Chem.Commun.","2011","47","","5629","","10.1039/c1cc10230c","","","0.71073","MoKα","","0.0437","0.0386","","","0.103","0.1064","","","","","","1.048","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106350","8.973","0.004","15.48","0.006","17.629","0.006","90","","117.171","0.016","90","","2178.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N O2 P -","- C26 H26 N O2 P -","- C104 H104 N4 O8 P4 -","4","1","","Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy","To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols","Chem.Commun.","2011","47","","5629","","10.1039/c1cc10230c","","","0.71073","MoKα","","0.069","0.0479","","","0.1029","0.1116","","","","","","1.034","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106351","23.992","0.009","14.574","0.006","11.636","0.005","90","","92.284","0.006","90","","4065","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 N2 O10 P2 -","- C41 H42 Cl2 N2 O10 P2 -","- C164 H168 Cl8 N8 O40 P8 -","4","1","","Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy","To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols","Chem.Commun.","2011","47","","5629","","10.1039/c1cc10230c","","","0.71073","MoKα","","0.1021","0.0585","","","0.1348","0.1562","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106352","11.3587","0.0009","18.503","0.0013","20.2698","0.0012","90","","90","","90","","4260.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cl2 O14 P2 -","- C41 H48 Cl2 O14 P2 -","- C164 H192 Cl8 O56 P8 -","4","1","","Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy","To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols","Chem.Commun.","2011","47","","5629","","10.1039/c1cc10230c","","","0.71073","MoKα","","0.0617","0.0467","","","0.119","0.1239","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106353","13.1399","0.0011","11.3816","0.001","24.2961","0.0017","90","","114.555","0.004","90","","3304.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 O7 P -","- C38 H43 O7 P -","- C152 H172 O28 P4 -","4","1","","Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy","To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols","Chem.Commun.","2011","47","","5629","","10.1039/c1cc10230c","","","0.71073","MoKα","","0.0957","0.0827","","","0.1925","0.2002","","","","","","1.127","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106354","9.7058","0.0015","14.241","0.002","16.63","0.002","69.432","0.014","84.421","0.013","76.489","0.014","2092.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 N2 O7 P -","- C48 H53 N2 O7 P -","- C96 H106 N4 O14 P2 -","2","1","","Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy","To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols","Chem.Commun.","2011","47","","5629","","10.1039/c1cc10230c","","","0.71073","MoKα","","0.0819","0.0419","","","0.076","0.0816","","","","","","0.854","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106355","5.89","0.0012","12.89","0.003","26.17","0.005","90","","90","","90","","1986.9","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 F3 N2 O3 S -","- C20 H15 F3 N2 O3 S -","- C80 H60 F12 N8 O12 S4 -","4","1","","Gaochao Huang; Jie Yang; Xingang Zhang","Highly enantioselective zinc/BINOL-catalyzed alkynylation of a-ketoimine ester: a new entry to optically active quaternary a-CF3 a-amino acids","Chem.Commun.","2011","47","","5587","","10.1039/c1cc10403a","","","0.71073","MoKα","","0.0463","0.0414","","","0.1091","0.1136","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106356","7.2953","0.0001","25.5761","0.0007","30.7597","0.0006","90","","96.361","0.002","90","","5704","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H41.5 Cd1.25 N6 O11 Pd -","- C48 H24 Cd1.25 N4 O8.5 Pd -","- C192 H96 Cd5 N16 O34 Pd4 -","4","0.5","","Ming-Hua Xie; Xiu-Li Yang; Chuan-De Wu","A metalloporphyrin functionalized metal-organic framework for selective oxidization of styrene","Chem.Commun.","2011","47","","5521","","10.1039/c1cc10461f","","","1.54178","CuKα","","0.0852","0.0776","","","0.1837","0.1904","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106357","7.2172","0.0015","25.613","0.005","30.66","0.003","90","","96.392","0.013","90","","5632.4","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H25.5 Cd1.25 N4 O8 Pd -","- C48 H24 Cd1.25 N4 O8 Pd -","- C192 H96 Cd5 N16 O32 Pd4 -","4","0.5","","Ming-Hua Xie; Xiu-Li Yang; Chuan-De Wu","A metalloporphyrin functionalized metal–organic framework for selective oxidization of styrene","Chem.Commun.","2011","47","","5521","","10.1039/c1cc10461f","","","1.54178","CuKα","","0.1648","0.0886","","","0.1752","0.2164","","","","","","0.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106358","7.1564","0.0009","25.08","0.004","31.192","0.003","90","","96.287","0.011","90","","5564.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H47.5 Cd1.25 N4 O19 Pd -","- C48 H24 Cd1.25 N4 O8.5 Pd -","- C192 H96 Cd5 N16 O34 Pd4 -","4","0.5","","Ming-Hua Xie; Xiu-Li Yang; Chuan-De Wu","A metalloporphyrin functionalized metal–organic framework for selective oxidization of styrene","Chem.Commun.","2011","47","","5521","","10.1039/c1cc10461f","","","1.54178","CuKα","","0.1608","0.0938","","","0.2092","0.2562","","","","","","0.788","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106359","7.2751","0.0003","25.5905","0.0015","30.7749","0.0011","90","","96.478","0.004","90","","5692.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H41 Cd1.25 N4 O8.5 Pd -","- C48 H24 Cd1.25 N4 O8.25 Pd -","- C192 H96 Cd5 N16 O33 Pd4 -","4","0.5","","Ming-Hua Xie; Xiu-Li Yang; Chuan-De Wu","A metalloporphyrin functionalized metal–organic framework for selective oxidization of styrene","Chem.Commun.","2011","47","","5521","","10.1039/c1cc10461f","","","1.54178","CuKα","","0.1136","0.0969","","","0.2234","0.2323","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106360","25.2744","0.0005","9.2749","0.0002","11.1815","0.0002","90","","90","","90","","2621.14","0.09","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H21 F6 N -","- C32 H21 F6 N -","- C128 H84 F24 N4 -","4","1","","Cui-Hua Zhao; Yi-Hong Zhao; Hong Pan; Guang-Liang Fu","Highly solid-state emissive para-terphenyls laterally substituted with a diphenylamino group","Chem.Commun.","2011","47","","5518","","10.1039/c1cc10502g","","","0.71069","MoKα","","0.0946","0.0646","","","0.1976","0.2393","","","","","","0.851","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106361","11.528","0.002","12.074","0.002","19.371","0.004","94.67","0.03","99.95","0.03","115.39","0.03","2362.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H158 N2 O23 V6 -","- C78 H158 N2 O23 V6 -","- C78 H158 N2 O23 V6 -","1","0.5","","Pingfan Wu; Zicheng Xiao; Jin Zhang; Jian Hao; Jiake Chen; Panchao Yin; Yongge Wei","DMAP-catalyzed esterification of pentaerythritol-derivatized POMs: a new route for the functionalization of polyoxometalates","Chem.Commun.","2011","47","","5557","","10.1039/c1cc10650c","","","0.71073","MoKα","","0.2273","0.0709","","","0.0917","0.1345","","","","","","1.002","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106362","11.135","0.002","14.9","0.003","19.855","0.004","90","","97.63","0.03","90","","3265","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H98 N2 O23 V6 -","- C48 H98 N2 O23 V6 -","- C96 H196 N4 O46 V12 -","2","0.5","","Pingfan Wu; Zicheng Xiao; Jin Zhang; Jian Hao; Jiake Chen; Panchao Yin; Yongge Wei","DMAP-catalyzed esterification of pentaerythritol-derivatized POMs: a new route for the functionalization of polyoxometalates","Chem.Commun.","2011","47","","5557","","10.1039/c1cc10650c","","","0.71073","MoKα","","0.1157","0.0576","","","0.1409","0.1995","","","","","","1.135","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106363","11.375","0.002","15.453","0.003","19.841","0.004","90","","97.54","0.03","90","","3457.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H110 N2 O23 V6 -","- C54 H110 N2 O23 V6 -","- C108 H220 N4 O46 V12 -","2","0.5","","Pingfan Wu; Zicheng Xiao; Jin Zhang; Jian Hao; Jiake Chen; Panchao Yin; Yongge Wei","DMAP-catalyzed esterification of pentaerythritol-derivatized POMs: a new route for the functionalization of polyoxometalates","Chem.Commun.","2011","47","","5557","","10.1039/c1cc10650c","","","0.71073","MoKα","","0.0522","0.0413","","","0.1188","0.1281","","","","","","1.05","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106364","8.519","0.006","23.699","0.015","10.892","0.007","90","","110.026","0.007","90","","2066","2","113","2","113","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","3a","","","- C16 H17 Cl2 F6 N Si Ti -","- C16 H17 Cl2 F6 N Si Ti -","- C64 H68 Cl8 F24 N4 Si4 Ti4 -","4","1","","Hayato Tsurugi; Haruki Nagae; Kazushi Mashima","First isolation of fully delocalized mixed-valent imido-bridged [Ti2]7+ complexes by one-electron reduction of [(C5R5)TiCl]2(m-NAr)2","Chem.Commun.","2011","47","","5620","","10.1039/c1cc10757g","","","0.71075","MoKα","","0.0798","0.0608","","","0.1735","0.2014","","","","","","1.119","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106365","8.9074","0.0009","14.6224","0.0016","38.661","0.005","90","","91.014","0.007","90","","5034.7","1","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3b","","","- C21 H27 Cl2 F6 N Si Ti -","- C21 H27 Cl2 F6 N Si Ti -","- C168 H216 Cl16 F48 N8 Si8 Ti8 -","8","2","","Hayato Tsurugi; Haruki Nagae; Kazushi Mashima","First isolation of fully delocalized mixed-valent imido-bridged [Ti2]7+ complexes by one-electron reduction of [(C5R5)TiCl]2(m-NAr)2","Chem.Commun.","2011","47","","5620","","10.1039/c1cc10757g","","","0.71075","MoKα","","0.2123","0.1166","","","0.2918","0.3618","","","","","","1.091","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106366","15.882","0.006","8.044","0.003","26.068","0.008","90","","98.757","0.016","90","","3291","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4a","","","- C32 H22 Cl2 F12 N2 Ti2 -","- C32 H22 Cl2 F12 N2 Ti2 -","- C128 H88 Cl8 F48 N8 Ti8 -","4","0.5","","Hayato Tsurugi; Haruki Nagae; Kazushi Mashima","First isolation of fully delocalized mixed-valent imido-bridged [Ti2]7+ complexes by one-electron reduction of [(C5R5)TiCl]2(m-NAr)2","Chem.Commun.","2011","47","","5620","","10.1039/c1cc10757g","","","0.71075","MoKα","","0.2064","0.1118","","","0.2845","0.3652","","","","","","0.995","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106367","8.8477","0.0016","22.113","0.003","10.0609","0.0014","90","","109.928","0.005","90","","1850.5","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4b","","","- C36 H36 Cl2 F12 N2 Ti2 -","- C36 H36 Cl2 F12 N2 Ti2 -","- C72 H72 Cl4 F24 N4 Ti4 -","2","0.5","","Hayato Tsurugi; Haruki Nagae; Kazushi Mashima","First isolation of fully delocalized mixed-valent imido-bridged [Ti2]7+ complexes by one-electron reduction of [(C5R5)TiCl]2(m-NAr)2","Chem.Commun.","2011","47","","5620","","10.1039/c1cc10757g","","","0.71075","MoKα","","0.0625","0.0527","","","0.1409","0.1494","","","","","","1.077","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106368","18.139","0.012","11.696","0.007","21.035","0.014","90","","93.064","0.007","90","","4456","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","5a","","","- C38 H30 Cl6 Co F12 N2 Ti2 -","- C38 H30 Cl6 Co F12 N2 Ti2 -","- C152 H120 Cl24 Co4 F48 N8 Ti8 -","4","1","","Hayato Tsurugi; Haruki Nagae; Kazushi Mashima","First isolation of fully delocalized mixed-valent imido-bridged [Ti2]7+ complexes by one-electron reduction of [(C5R5)TiCl]2(m-NAr)2","Chem.Commun.","2011","47","","5620","","10.1039/c1cc10757g","","","0.71075","MoKα","","0.1462","0.0964","","","0.2514","0.2932","","","","","","1.068","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106369","20.918","0.007","10.565","0.006","21.838","0.01","90","","108.26","0.03","90","","4583","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 B F2 I2 N2 -","- C22 H23 B F2 I2 N2 -","- C176 H184 B8 F16 I16 N16 -","8","1","","Li Fu; Feng-Lei Jiang; Daniel Fortin; Pierre D. Harvey; Yi Liu","A reaction-based chromogenic and fluorescent chemodosimeter for fluoride anions","Chem.Commun.","2011","47","","5503","","10.1039/c1cc10784d","","","0.71073","MoKα","","0.1613","0.0622","","","0.1234","0.146","","","","","","0.934","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106370","14.642","0.002","14.642","0.002","14.333","0.003","90","","90","","90","","3072.8","0.9","200","2","200","2","","","","","","","","5","P 43","P 4cw","78","","","","- C15 H9 N0 O7 Yb -","- C15 H9 O7 Yb -","- C60 H36 O28 Yb4 -","4","1","","Zhiyong Guo; Hui Xu; Shengqun Su; Jianfeng Cai; Song Dang; Shengchang Xiang; Guodong Qian; Hongjie Zhang; Michael O'Keeffe; Banglin Chen","A robust near infrared luminescent ytterbium metal-organic framework for sensing of small molecules","Chem.Commun.","2011","47","","5551","","10.1039/c1cc10897b","","","0.71073","MoKα","","0.0485","0.0418","","","0.113","0.1157","","","","","","1.005","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106371","20.781","0.004","15.622","0.003","22.1","0.005","90","","110.115","0.004","90","","6737","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H45 Au N2 O2 -","- C35 H45 Au N2 O2 -","- C280 H360 Au8 N16 O16 -","8","1","","Stephanie Dupuy; Faima Lazreg; Alexandra M. Z. Slawin; Catherine S. J. Cazin; Steven P. Nolan","Decarboxylation of aromatic carboxylic acids by gold(I)-N-heterocyclic carbene (NHC) complexes","Chem.Commun.","2011","47","","5455","","10.1039/c1cc10917k","","","0.71073","MoKα","","0.0633","0.0472","","","0.0972","0.1041","","","","","","1.184","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106372","16.985","0.004","12.209","0.003","21.415","0.005","90","","102.825","0.007","90","","4330","1.8","93","2","93","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C38 H49 Au Cl4 N2 O4 -","- C38 H49 Au Cl4 N2 O4 -","- C152 H196 Au4 Cl16 N8 O16 -","4","2","","Stephanie Dupuy; Faima Lazreg; Alexandra M. Z. Slawin; Catherine S. J. Cazin; Steven P. Nolan","Decarboxylation of aromatic carboxylic acids by gold(I)-N-heterocyclic carbene (NHC) complexes","Chem.Commun.","2011","47","","5455","","10.1039/c1cc10917k","","","0.71073","MoKα","","0.103","0.0681","","","0.1506","0.1723","","","","","","1.049","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106373","12.4946","0.0008","9.7428","0.0007","21.0397","0.0015","90","","92.355","0.002","90","","2559","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 O2 -","- C36 H24 O2 -","- C144 H96 O8 -","4","1","","Lei Wang; Shiyong Peng; Jian Wang","Palladium-catalyzed cascade reactions of coumarins with alkynes: synthesis of highly substituted cyclopentadiene fused chromones","Chem.Commun.","2011","47","","5422","","10.1039/c1cc10939a","","","0.71073","MoKα","","0.0817","0.06","","","0.1256","0.1357","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106374","15.452","0.003","17.781","0.003","17.792","0.003","84.536","0.005","88.272","0.004","88.275","0.005","4862.1","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C208 H240 N16 O32 -","8","4","","Ho Lee; Junyong Jo; Hyunsoo Park; Dongwhan Lee","Ratiometric detection of mercury ions in water: accelerated response kinetics of azo chromophores having ethynyl ligand tethers","Chem.Commun.","2011","47","","5515","","10.1039/c1cc10974j","","x-ray","0.71073","MoKα","","0.1111","0.0583","","","0.1387","0.1669","","","","","","1.007","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106375","39.918","0.004","39.918","0.004","7.7112","0.0008","90","","90","","120","","10641.2","1.9","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H26 Cd4 F12 O23 -","- C38 H16 Cd4 F12 O23 -","- C342 H144 Cd36 F108 O207 -","9","0.5","","Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Ying Guo; Chen Jin; Qi-Zhen Shi","A rod packing microporous metal-organic framework: unprecedented ukv topology, high sorption selectivity and affinity for CO2","Chem.Commun.","2011","47","","5464","","10.1039/c1cc10990a","","","0.71073","MoKα","","0.0544","0.0385","","","0.0901","0.0994","","","","","","1.046","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106376","19.401","0.003","24","0.003","6.6143","0.0009","90","","90","","90","","3079.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H32 Cl N O7 -","- C32 H32 Cl N O7 -","- C128 H128 Cl4 N4 O28 -","4","1","","Huai-Long Teng; He Huang; Hai-Yan Tao; Chun-Jiang Wang","Morita-Baylis-Hillman adducts as effective dipolarophiles in Copper(I)-catalyzed 1,3-dipolar cycloaddition with azomethine ylides: asymmetric construction of pyrrolidine derivatives containing quaternary stereogenic center","Chem.Commun.","2011","47","","5494","","10.1039/c1cc11138h","","","0.71073","MoKα","","0.061","0.0412","","","0.0764","0.0844","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106377","24.277","0.01","10.347","0.004","23.279","0.01","90","","99.37","0.005","90","","5770","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H32 N2 O5.5 S -","- C32.5 H30 N2 O5.5 S -","- C260 H240 N16 O44 S8 -","8","1","","Zhiyuan Chen; Chao Ye; Liang Gao; Jie Wu","Diversity-oriented approach to 1,2-dihydroisoquinolin-3(4H)-imines via copper(I)-catalyzed reaction of (E)-2-ethynylphenylchalcone, sulfonyl azide and amine","Chem.Commun.","2011","47","","5623","","10.1039/c1cc11176k","","","0.71073","MoKα","","0.0879","0.0593","","","0.1773","0.1974","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106378","12.8718","0.0011","19.2117","0.0017","16.0401","0.0014","90","","100.612","0.001","90","","3898.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 I2 K N7 Np O2 -","- C35 H35 I2 K N7 Np O2 -","- C140 H140 I8 K4 N28 Np4 O8 -","4","1","","Roy Copping; Victor Mougel; Sebastien Petit; Christophe Den Auwer; Philippe Moisy; Marinella Mazzanti","A versatile precursor for non-aqueous neptunyl(V) chemistry","Chem.Commun.","2011","47","","5497","","10.1039/c1cc11010a","","","0.71073","MoKα","","0.019","0.0172","","","0.0405","0.041","","","","","","1.128","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106379","13.9513","0.0007","5.9462","0.0003","22.6371","0.0011","90","","100.108","0.0007","90","","1848.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Fe N2 O -","- C20 H29 Fe N2 O -","- C80 H116 Fe4 N8 O4 -","4","1","","Song Yi; Burjor Captain; Angel E. Kaifer","The importance of methylation in the binding of (ferrocenylmethyl)- tempammonium guests by cucurbit[n]uril (n = 7, 8) hosts","Chem.Commun.","2011","47","","5500","","10.1039/c1cc11212k","","","0.71073","MoKα","","0.057","0.0495","","","0.1338","0.1365","","","","","","1.18","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106380","11.6659","0.0005","5.9289","0.0002","28.2755","0.0012","90","","99.302","0.0006","90","","1929.98","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 Fe N2 O -","- C21 H31 Fe N2 O -","- C84 H124 Fe4 N8 O4 -","4","1","","Song Yi; Burjor Captain; Angel E. Kaifer","The importance of methylation in the binding of (ferrocenylmethyl)- tempammonium guests by cucurbit[n]uril (n = 7, 8) hosts","Chem.Commun.","2011","47","","5500","","10.1039/c1cc11212k","","","0.71073","MoKα","","0.0414","0.0365","","","0.0925","0.095","","","","","","1.09","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106381","9.3609","0.0017","11.697","0.002","22.151","0.004","90","","90","","90","","2425.4","0.7","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl2 N O4 -","- C28 H23 Cl2 N O4 -","- C112 H92 Cl8 N4 O16 -","4","1","","Liang-Liang Wang; Lin Peng; Jian-Fei Bai; Li-Na Jia; Xi-Ya Luo; Qing-Chuan Yang; Qing-Chun Huang; Xiaoying Xu; Li-xin Wang","A highly organocatalytic stereoselective double Michael reaction: efficient construction of optically enriched spirocyclic oxindoles","Chem.Commun.","2011","47","","5593","","10.1039/c1cc11223f","","","0.71073","MoKα","","0.0425","0.0349","","","0.0706","0.0738","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106382","10.9909","0.001","10.9909","0.001","10.991","","90","","90","","90","","1327.71","0.17","100","2","100","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","tetrakis(m3-4-hydroxypyridine)-tetra-lithium","","- C20 H16 Li4 N4 O5 -","- C20 H16 Li4 N4 O5 -","- C40 H32 Li8 N8 O10 -","2","0.25","","Xiang Zhao; Tao Wu; Shou-Tian Zheng; Le Wang; Xianhui Bu; Pingyun Feng","A zeolitic porous lithium - organic framework constructed from cubane clusters","Chem.Commun.","2011","47","","5536","","10.1039/c1cc11245g","","","0.71073","MoKα","","0.1059","0.0942","","","0.1859","0.1908","","","","","","1.176","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106383","11.7697","0.0016","20.465","0.003","11.7727","0.0016","90","","95.906","0.002","90","","2820.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 F N2 Pb -","- C29 H41 F N2 Pb -","- C116 H164 F4 N8 Pb4 -","4","1","","Anukul Jana; Sankaranarayana Pillai Sarish; Herbert W. Roesky; Dirk Leusser; Ina Objartel; Dietmar Stalke","Pentafluoropyridine as a fluorinating reagent for preparing a hydrocarbon soluble ?-diketiminatolead(II) monofluoride","Chem.Commun.","2011","47","","5434","","10.1039/c1cc11310k","","","0.71073","MoKα","","0.0256","0.021","","","0.0491","0.0503","","","","","","1.058","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106384","15.706","0.0015","18.9","0.0018","26.336","0.003","90","","107.093","0.001","90","","7472.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H92 F6 N4 O2 Pb -","- C74 H92 F6 N4 O2 Pb -","- C296 H368 F24 N16 O8 Pb4 -","4","1","","Anukul Jana; Sankaranarayana Pillai Sarish; Herbert W. Roesky; Dirk Leusser; Ina Objartel; Dietmar Stalke","Pentafluoropyridine as a fluorinating reagent for preparing a hydrocarbon soluble ?-diketiminatolead(II) monofluoride","Chem.Commun.","2011","47","","5434","","10.1039/c1cc11310k","","","0.71073","MoKα","","0.026","0.0208","","","0.0522","0.0543","","","","","","1.063","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106385","9.9031","0.0003","10.5542","0.0005","18.1019","0.0007","90","","108.814","0.002","90","","1790.91","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 O6 Zn6 -","- C24 H60 O6 Zn6 -","- C48 H120 O12 Zn12 -","2","0.5","","Bury, Wojciech; Krajewska, Elżbieta; Dutkiewicz, Michał; Sokołowski, Kamil; Justyniak, Iwona; Kaszkur, Zbigniew; Kurzydłowski, Krzysztof J.; Płociński, Tomasz; Lewiński, Janusz","tert-Butylzinc Hydroxide as Efficient Predesigned Precursor of ZnO Nanoparticles","Chemical Communications (Cambridge, United Kingdom)","2011","47","19","5467","5469","10.1039/c1cc11328c","","","0.71073","MoKα","","0.1032","0.0606","","","0.1292","0.1414","","","","","","1.121","","","","has coordinates","287981","2023-12-04","10:46:44",""
"7106386","6.2785","0.0006","6.5034","0.0006","9.6048","0.0009","83.088","0.003","87.368","0.004","78.44","0.003","381.34","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H10 B Cl N2 O -","- C4 H10 B Cl N2 O -","- C8 H20 B2 Cl2 N4 O2 -","2","1","","Jose M. Marquez; Elisa Martinez-Castro; Serena Gabrielli; Oscar Lopez; Ines Maya; Manuel Angulo; Eleuterio Alvarez; Jose G. Fernandez-Bolanos","Alkoxyamine-cyanoboranes: efficient cyanoborane transfer agents","Chem.Commun.","2011","47","","5617","","10.1039/c1cc11345c","","","0.71073","MoKα","","0.0566","0.0405","","","0.0956","0.114","","","","","","1.095","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106387","9.5051","0.0004","12.3772","0.0005","9.9685","0.0004","90","","92.15","0.001","90","","1171.93","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 B Cl N2 O -","- C10 H14 B Cl N2 O -","- C40 H56 B4 Cl4 N8 O4 -","4","1","","Jose M. Marquez; Elisa Martinez-Castro; Serena Gabrielli; Oscar Lopez; Ines Maya; Manuel Angulo; Eleuterio Alvarez; Jose G. Fernandez-Bolanos","Alkoxyamine-cyanoboranes: efficient cyanoborane transfer agents","Chem.Commun.","2011","47","","5617","","10.1039/c1cc11345c","","","0.71073","MoKα","","0.0412","0.0317","","","0.0851","0.0893","","","","","","1.047","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106388","9.6308","0.0003","12.4411","0.0004","9.9555","0.0004","90","","92.716","0.002","90","","1191.51","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 B Br N2 O -","- C10 H14 B Br N2 O -","- C40 H56 B4 Br4 N8 O4 -","4","1","","Jose M. Marquez; Elisa Martinez-Castro; Serena Gabrielli; Oscar Lopez; Ines Maya; Manuel Angulo; Eleuterio Alvarez; Jose G. Fernandez-Bolanos","Alkoxyamine-cyanoboranes: efficient cyanoborane transfer agents","Chem.Commun.","2011","47","","5617","","10.1039/c1cc11345c","","","0.71073","MoKα","","0.0632","0.0369","","","0.0736","0.0829","","","","","","1.025","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106389","22.3376","0.0017","18.7149","0.0014","23.471","0.0016","90","","90","","90","","9812","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C97 H106 Au8 F12 O P6 -","- C96 H102 Au8 F12 P6 -","- C384 H408 Au32 F48 P24 -","4","0.5","","Igor O. Koshevoy; Chia-Li Lin; Antti J. Karttunen; Matti Haukka; Chun-Wei Shih; Pi-Tai Chou; Sergey P. Tunik; Tapani A. Pakkanen","Octanuclear gold(I) alkynyl-diphosphine clusters showing thermochromic luminescence","Chem.Commun.","2011","47","","5533","","10.1039/c1cc11352f","","","0.71073","MoKα","","0.0735","0.0404","","","0.067","0.072","","","","","","0.879","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106390","22.3988","0.0012","18.9734","0.0011","23.7764","0.0013","90","","90","","90","","10104.5","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H102 Au8 F12 P6 -","- C96 H102 Au8 F12 P6 -","- C384 H408 Au32 F48 P24 -","4","0.5","","Igor O. Koshevoy; Chia-Li Lin; Antti J. Karttunen; Matti Haukka; Chun-Wei Shih; Pi-Tai Chou; Sergey P. Tunik; Tapani A. Pakkanen","Octanuclear gold(I) alkynyl-diphosphine clusters showing thermochromic luminescence","Chem.Commun.","2011","47","","5533","","10.1039/c1cc11352f","","","0.71073","MoKα","","0.0691","0.0369","","","0.0689","0.0786","","","","","","1.033","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106391","24.3129","0.0006","16.0611","0.0004","28.0596","0.0007","90","","92.245","0.001","90","","10948.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C84.5 H104 Au8 Cl5 F12 N8 O0.5 P6 -","- C84.5 H104 Au8 Cl5 F12 N8 O0.5 P6 -","- C338 H416 Au32 Cl20 F48 N32 O2 P24 -","4","1","","Igor O. Koshevoy; Chia-Li Lin; Antti J. Karttunen; Matti Haukka; Chun-Wei Shih; Pi-Tai Chou; Sergey P. Tunik; Tapani A. Pakkanen","Octanuclear gold(I) alkynyl-diphosphine clusters showing thermochromic luminescence","Chem.Commun.","2011","47","","5533","","10.1039/c1cc11352f","","","0.71073","MoKα","","0.0662","0.043","","","0.0988","0.11","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106392","13.0014","0.0007","17.4798","0.001","23.2057","0.0019","106.781","0.003","95.591","0.003","111.261","0.002","4583.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H94 Au8 Cl2 O8 P4 -","- C88 H94 Au8 Cl2 O8 P4 -","- C176 H188 Au16 Cl4 O16 P8 -","2","1","","Igor O. Koshevoy; Chia-Li Lin; Antti J. Karttunen; Matti Haukka; Chun-Wei Shih; Pi-Tai Chou; Sergey P. Tunik; Tapani A. Pakkanen","Octanuclear gold(I) alkynyl-diphosphine clusters showing thermochromic luminescence","Chem.Commun.","2011","47","","5533","","10.1039/c1cc11352f","","","0.71073","MoKα","","0.0517","0.0344","","","0.0778","0.0871","","","","","","1.027","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106393","20.9216","0.0018","20.9216","0.0018","21.233","0.002","90","","90","","120","","8048.8","1.2","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C63 H127 Ag11 N10 O3 S18 -","- C63 H127 Ag11 N10 O3 S18 -","- C189 H381 Ag33 N30 O9 S54 -","3","0.333333","","Chen-Wei Liu; Ping-Kuei Liao; Ching-Shiang Fang; Jean-Yves Saillard; Samia Kahlal; Ju-Chun Wang","An eleven-vertex deltahedron with hexacapped trigonal bipyramidal geometry","Chem.Commun.","2011","47","","5831","","10.1039/c1cc10168d","","","0.71073","MoKα","","0.0348","0.0308","","","0.0762","0.0787","","","","","","1.026","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106394","36.351","0.002","17.1037","0.001","19.3682","0.0011","90","","93.364","0.002","90","","12021.2","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H16 Cd Cl2 N6 O10 -","- C85 H14 Cd N6 O10 -","- C680 H112 Cd8 N48 O80 -","8","2","","Jian Fan; Thomas W. Chamberlain; Yu Wang; Sihai Yang; Alexander J. Blake; Martin Schroder; Andrei N. Khlobystov","Encapsulation of transition metal atoms into carbon nanotubes: a supramolecular approach","Chem.Commun.","2011","47","","5696","","10.1039/c1cc10427f","","","0.6911","synchrotron","","0.0879","0.0595","","","0.147","0.16","","","","","","1","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106395","18.0599","0.0008","10.8893","0.0005","18.3548","0.0008","90","","115.315","0.002","90","","3263","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H27 B F15 N -","- C35 H27 B F15 N -","- C140 H108 B4 F60 N4 -","4","2","","Zachariah Heiden; Douglas Stephan","Metal-Free Diastereoselective Catalytic Hydrogenations of Imines Using B(C6F5)3+","Chem.Commun.","2011","47","","5729","","10.1039/c1cc10438a","","","0.71073","MoKα","","0.1273","0.0636","","","0.1527","0.1846","","","","","","1.027","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106396","12.2171","0.0007","13.3261","0.0008","18.5076","0.0011","90","","90","","90","","3013.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 B F15 N -","- C32 H21 B F15 N -","- C128 H84 B4 F60 N4 -","4","1","","Zachariah Heiden; Douglas Stephan","Metal-Free Diastereoselective Catalytic Hydrogenations of Imines Using B(C6F5)3+","Chem.Commun.","2011","47","","5729","","10.1039/c1cc10438a","","","0.71073","MoKα","","0.0724","0.038","","","0.068","0.0784","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106397","12.2721","0.0014","12.4428","0.0015","20.36","0.002","90","","90","","90","","3109","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H19 B F15 N -","- C35 H19 B F15 N -","- C140 H76 B4 F60 N4 -","4","1","","Zachariah Heiden; Douglas Stephan","Metal-Free Diastereoselective Catalytic Hydrogenations of Imines Using B(C6F5)3+","Chem.Commun.","2011","47","","5729","","10.1039/c1cc10438a","","","0.71073","MoKα","","0.1239","0.0693","","","0.1733","0.1987","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106398","9.914","0.005","17.909","0.005","18.644","0.005","117.67","0.01","102.63","0.01","94.05","0.01","2803.4","1.8","150.1","","150.1","","","","","","","","","4","P -1","-P 1","2","","","","- C84 H160 Cr10 O40 -","- C84 H160 Cr10 O40 -","- C84 H160 Cr10 O40 -","1","0.5","","Marzio Rancan; Francesco Sedona; Marco Di Marino; Lidia Armelao; Mauro Sambi","Chromium wheels quasi-hexagonal 2D assembling by direct UHV sublimation","Chem.Commun.","2011","47","","5744","","10.1039/c1cc10730e","","x-ray","0.7107","MoKα","","0.0703","0.0465","","","0.128","0.1479","","","","","","1.05","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106399","18.2006","0.0009","10.4443","0.0007","9.0541","0.0006","90","","90","","90","","1721.12","0.18","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H15 N7 O3 Zn -","- C14 H15 N7 O3 Zn -","- C56 H60 N28 O12 Zn4 -","4","1","","Fei Wang; Yan-Xi Tan; Hui Yang; Haixia Zhang; Yao Kang; Jian Zhang","A new approach towards tetrahedral imidazolate frameworks for high and selective CO2 uptake","Chem.Commun.","2011","47","","5828","","10.1039/c1cc10829h","","","0.7107","MoKα","","0.0428","0.0317","","","0.0691","0.0707","","","","","","0.994","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106400","12.084","0.0006","9.9231","0.0004","14.3845","0.0006","90","","90","","90","","1724.86","0.13","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H13 N7 O2 Zn2 -","- C15 H13 N7 O2 Zn2 -","- C60 H52 N28 O8 Zn8 -","4","1","","Fei Wang; Yan-Xi Tan; Hui Yang; Haixia Zhang; Yao Kang; Jian Zhang","A new approach towards tetrahedral imidazolate frameworks for high and selective CO2 uptake","Chem.Commun.","2011","47","","5828","","10.1039/c1cc10829h","","","0.71073","MoKα","","0.0526","0.0337","","","0.0744","0.0821","","","","","","1.008","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106401","7.7987","0.0001","30.8771","0.0004","14.612","0.0002","90","","104.701","0.001","90","","3403.4","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N4 O5 Zn2 -","- C15 H12 N4 O5 Zn2 -","- C120 H96 N32 O40 Zn16 -","8","1","","Fei Wang; Yan-Xi Tan; Hui Yang; Haixia Zhang; Yao Kang; Jian Zhang","A new approach towards tetrahedral imidazolate frameworks for high and selective CO2 uptake","Chem.Commun.","2011","47","","5828","","10.1039/c1cc10829h","","","0.71073","MoKα","","0.0574","0.0344","","","0.0701","0.0779","","","","","","1.012","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106402","6.0482","0.0002","15.3621","0.0006","24.9148","0.001","90","","90","","90","","2314.91","0.15","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br Cl N O6 -","- C25 H19 Br Cl N O6 -","- C100 H76 Br4 Cl4 N4 O24 -","4","1","","Yaojun Gao; Qiao Ren; Woon-Yew Siau; Jian Wang","Asymmetric organocatalytic cascade Michael/hemiketalization/retro-Henry reaction of B,Y-unsaturated ketoesters with a-nitroketones","Chem.Commun.","2011","47","","5819","","10.1039/c1cc11124h","","","0.71073","MoKα","","0.0462","0.0356","","","0.071","0.0743","","","","","","0.981","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106403","13.145","0.0011","5.32","0.0004","17.294","0.002","90","","127.636","0.004","90","","957.73","0.16","298","","","","","","","","","","Okuma laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","","Kentaro Okuma; Nahoko Matsunaga; Noriyoshi Nagahora; Kosei Shioji; Yoshinobu Yokomori","Reaction of Arynes with Amino Acid Esters","Chem.Commun.","2011","47","","5822","","10.1039/c1cc11234a","","","1.54184","CuKα","","0.1113","0.074","","","0.1934","0.2169","","","","","","1.478","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106404","16.0167","0.0002","6.2535","0.0001","17.2985","0.0002","90","","99.075","0.001","90","","1710.94","0.04","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H4 B D6 F10 N -","- C18 H4 B D6 F10 N -","- C72 H16 B4 D24 F40 N4 -","4","1","","Elizabeth A. Jacobs; Anna-Marie Fuller; Simon J. Lancaster; Joseph A. Wright","The hafnium-mediated NH activation of an amido-borane","Chem.Commun.","2011","47","","5870","","10.1039/c1cc11320h","","","0.71073","Mo-Kα","","0.0624","0.0427","","","0.0944","0.102","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106405","8.907","0.0007","10.7113","0.0008","12.1263","0.0011","90","","103.42","0.009","90","","1125.33","0.16","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H19 B F10 Li N O4 -","- C20 H19 B F10 Li N O4 -","- C40 H38 B2 F20 Li2 N2 O8 -","2","1","","Elizabeth A. Jacobs; Anna-Marie Fuller; Simon J. Lancaster; Joseph A. Wright","The hafnium-mediated NH activation of an amido-borane","Chem.Commun.","2011","47","","5870","","10.1039/c1cc11320h","","","0.71073","Mo-Kα","","0.0454","0.0301","","","0.0472","0.0492","","","","","","0.882","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106406","13.4352","0.0003","16.4726","0.0003","23.8938","0.0004","90","","100.44","0.002","90","","5200.46","0.18","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H48 B2 F20 Hf N2 O4 -","- C50 H48 B2 F20 Hf N2 O4 -","- C200 H192 B8 F80 Hf4 N8 O16 -","4","1","","Elizabeth A. Jacobs; Anna-Marie Fuller; Simon J. Lancaster; Joseph A. Wright","The hafnium-mediated NH activation of an amido-borane","Chem.Commun.","2011","47","","5870","","10.1039/c1cc11320h","","x-ray","0.71073","MoKα","","0.0566","0.0344","","","0.0733","0.0782","","","","","","1.011","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106407","6.707","0.005","15.957","0.005","25.116","0.005","90","","90","","90","","2688","2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 B F10 Hf N -","- C29 H20 B F10 Hf N -","- C116 H80 B4 F40 Hf4 N4 -","4","1","","Elizabeth A. Jacobs; Anna-Marie Fuller; Simon J. Lancaster; Joseph A. Wright","The hafnium-mediated NH activation of an amido-borane","Chem.Commun.","2011","47","","5870","","10.1039/c1cc11320h","","x-ray","0.71073","MoKα","","0.0669","0.0345","","","0.0573","0.0615","","","","","","0.836","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106408","11.478","0.005","12.946","0.006","19.381","0.008","103.183","0.005","98.129","0.005","103.201","0.005","2672","2","103.15","","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H80 B3 Cl N4 O -","- C56 H80 B3 Cl N4 O -","- C112 H160 B6 Cl2 N8 O2 -","2","1","","Yumi Hayashi; Yasutomo Segawa; Makoto Yamashita; Kyoko Nozaki","Syntheses and Properties of Triborane(5) Possessing Bulky Diamino Substituents on Terminal Boron Atoms","Chem.Commun.","2011","47","","5888","","10.1039/c1cc11334h","","","0.7107","MoKα","","0.1163","0.0904","","","0.2316","0.2529","","","","","","1.105","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106409","14.6784","0.0002","14.6784","0.0002","12.8656","0.0002","90","","90","","120","","2400.59","0.06","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C35 H50 N6 O -","- C35 H47.97 N6 O -","- C105 H143.91 N18 O3 -","3","0.333333","","John S. Hart; Fraser J. White; Jason B. Love","Donor-extended tripodal pyrroles: encapsulation, metallation, and H-bonded tautomers","Chem.Commun.","2011","47","","5711","","10.1039/c1cc11378j","","","0.71073","MoKα","","0.0783","0.0647","","","","0.2101","","","","","","1.055","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7106410","14.2257","0.0005","20.698","0.0006","20.3016","0.0006","90","","109.511","0.004","90","","5634.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H156 Li12 N12 O13.5 -","- C100 H156 Li12 N12 O13.5 -","- C200 H312 Li24 N24 O27 -","2","0.5","","John S. Hart; Fraser J. White; Jason B. Love","Donor-extended tripodal pyrroles: encapsulation, metallation, and H-bonded tautomers","Chem.Commun.","2011","47","","5711","","10.1039/c1cc11378j","","","0.71073","MoKα","","0.1414","0.0762","","","","0.254","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106411","31.439","0.005","14.0249","0.0007","22.558","0.004","90","","130.79","0.03","90","","7531","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H88 Cl3 Co N12 -","- C70 H94.84 Cl3 Co N12 -","- C280 H379.36 Cl12 Co4 N48 -","4","0.5","","John S. Hart; Fraser J. White; Jason B. Love","Donor-extended tripodal pyrroles: encapsulation, metallation, and H-bonded tautomers","Chem.Commun.","2011","47","","5711","","10.1039/c1cc11378j","","","0.71073","MoKα","","0.1004","0.0752","","","0.252","0.2661","","","","","","1.062","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7106412","13.6569","0.0004","25.029","0.0008","10.9583","0.0004","90","","96.887","0.003","90","","3718.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H110 Cl2 N12 O2 Zn2 -","- C70 H94 Cl2 N12 Zn2 -","- C140 H188 Cl4 N24 Zn4 -","2","0.5","","John S. Hart; Fraser J. White; Jason B. Love","Donor-extended tripodal pyrroles: encapsulation, metallation, and H-bonded tautomers","Chem.Commun.","2011","47","","5711","","10.1039/c1cc11378j","","","1.5418","CuKα","","0.115","0.0971","","","","0.2771","","","","","","1.06","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7106413","12.2193","0.0002","12.3857","0.0002","42.4545","0.0008","90","","90.692","0.001","90","","6424.79","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Cl2 N9 O10 Zn -","- C27 H35 Cl2 N9 O10 Zn -","- C216 H280 Cl16 N72 O80 Zn8 -","8","1","","Jobe, Kajally; Brennan, Caroline H.; Motevalli, Majid; Goldup, Stephen M.; Watkinson, Michael","Modular 'click' sensors for zinc and their application in vivo","Chemical Communications (Cambridge, United Kingdom)","2011","47","21","6036","6038","10.1039/c1cc11213a","","","1.54178","CuKα","","0.0643","0.0637","","","0.142","0.1422","","","","","","1.322","","","","has coordinates,has disorder","210844","2020-10-21","18:00:00",""
"7106414","35.5856","0.0013","9.6028","0.0003","35.8812","0.0009","90","","99.056","0.003","90","","12108.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H72.6 La0.4 N4 O18.8 -","- C52 H59 La0.3971 N4 O18.7942 -","- C416 H472 La3.1768 N32 O150.354 -","8","1","","Ching Yong Goh; Thomas Becker; David H. Brown; Brian W. Skelton; Franca Jones; Mauro Mocerino; Mark I. Ogden","Self-inclusion of proline-functionalised calix[4]arene leads to hydrogelation","Chem.Commun.","2011","47","","6057","","10.1039/c1cc11286d","","","0.71073","MoKα","","0.1864","0.112","","","0.3427","0.3743","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106415","8.5594","0.0002","10.8001","0.0002","12.0616","0.0002","65.5917","0.0014","79.8934","0.0013","72.0654","0.0014","964.51","0.04","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H21 As2 F3 N3 O13 V3 -","- C6 H21 As2 F3 N3 O13 V3 -","- C12 H42 As4 F6 N6 O26 V6 -","2","1","","Eleni Kotsapa; Mark T. Weller","Vanadium fluoroarsenates-folding sheets into highly corrugated layers and crystalline arrays of large inorganic tubes","Chem.Commun.","2011","47","21","6132","6134","10.1039/c1cc11513h","","","0.71073","MoKα","","0.0371","0.0291","","","0.0581","0.0621","","","","","","1.109","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106416","16.8763","0.0006","14.1659","0.0005","10.7198","0.0004","90","","93.894","0.002","90","","2556.84","0.16","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H26 As2 F7 N3 O15 V4 -","- C6 H18 As2 F7 N3 O15 V4 -","- C24 H72 As8 F28 N12 O60 V16 -","4","1","","Eleni Kotsapa; Mark T. Weller","Vanadium fluoroarsenates-folding sheets into highly corrugated layers and crystalline arrays of large inorganic tubes","Chem.Commun.","2011","47","21","6132","6134","10.1039/c1cc11513h","","","0.71073","MoKα","","0.1011","0.0676","","","0.1606","0.1845","","","","","","1.088","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106417","32.3426","0.0008","32.3426","0.0008","10.6928","0.0004","90","","90","","120","","9686.6","0.5","120","2","120","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- As12 F27 O99.69 V36 -","- As12 F27 O99.69 V36 -","- As24 F54 O199.38 V72 -","2","0.166667","","Eleni Kotsapa; Mark T. Weller","Vanadium fluoroarsenates-folding sheets into highly corrugated layers and crystalline arrays of large inorganic tubes","Chem.Commun.","2011","47","21","6132","6134","10.1039/c1cc11513h","","","0.71073","MoKα","","0.1736","0.1006","","","0.2663","0.295","","","","","","0.945","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106418","17.4496","0.0006","17.7496","0.0011","17.2174","0.0007","90","","101.374","0.004","90","","5227.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H45 Li N2 O Si2 -","- C20 H45 Li N2 O Si2 -","- C160 H360 Li8 N16 O8 Si16 -","8","2","","Sophia A. Solomon; F. Matthias Bickelhaupt; Richard A. Layfield; Mathias Nilsson; Jordi Poater; Miquel Sola","A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory","Chem.Commun.","2011","47","","6162","","10.1039/c1cc11697e","","","0.71073","MoKα","","0.082","0.0634","","","0.1611","0.1786","","","","","","1.026","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106419","8.27","0.003","11.652","0.005","26.49","0.008","90","","90","","90","","2552.6","1.6","123.1","","123","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 N O2 P Rh -","- C29 H31 N O2 P Rh -","- C116 H124 N4 O8 P4 Rh4 -","4","1","","Ryo Shintani; Rintaro Narui; Yosuke Tsutsumi; Sayuri Hayashi; Tamio Hayashi","Design and synthesis of new chiral phosphorus-olefin bidentate ligands and their use in the rhodium-catalyzed asymmetric addition of organoboroxines to N-sulfonyl imines","Chem.Commun.","2011","47","","6123","","10.1039/c1cc11823d","","","0.71075","MoKα","","","0.0594","","","","0.0818","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106420","13.8673","0.0001","18.7128","0.0002","20.1729","0.0003","97.486","0.001","104.43","0.001","103.962","0.001","4817.84","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H122 Li4 N28 Sn7 -","- C78 H122 Li4 N28 Sn7 -","- C156 H244 Li8 N56 Sn14 -","2","1","","R.J.Less; V.Naseri; M.McPartlin; D.S.Wright","Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase","Chem.Commun.","2011","47","","6129","","10.1039/c1cc00053e","","","0.71073","MoKα","","0.0851","0.0559","","","0.162","0.1854","","","","","","1.074","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106421","13.9707","0.0003","9.3155","0.0002","14.8029","0.0003","90","","106.888","0.001","90","","1843.43","0.07","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H56 Li2 N10 Sn2 -","- C30 H56 Li2 N10 Sn2 -","- C60 H112 Li4 N20 Sn4 -","2","0.5","","R.J.Less; V.Naseri; M.McPartlin; D.S.Wright","Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase","Chem.Commun.","2011","47","","6129","","10.1039/c1cc00053e","","","0.71073","MoKα","","0.0559","0.0361","","","0.0794","0.0869","","","","","","1.036","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106422","7.0826","0.0002","12.5439","0.0004","16.0868","0.0006","82.669","0.001","78.708","0.002","84.163","0.002","1385.75","0.08","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H35 Cl N8 O7 -","- C24 H35 Cl N8 O7 -","- C48 H70 Cl2 N16 O14 -","2","1","","R.J.Less; V.Naseri; M.McPartlin; D.S.Wright","Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase","Chem.Commun.","2011","47","","6129","","10.1039/c1cc00053e","","","0.71073","MoKα","","0.1147","0.0755","","","0.2071","0.2367","","","","","","1.017","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106423","22.162","0.002","20.532","0.002","16.1364","0.0015","90","","95.937","0.002","90","","7303.2","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Co N6 O8 -","- C34.5 H30.5 Co N5.5 O7.5 -","- C276 H244 Co8 N44 O60 -","8","1","","Yun Gong; Tian-Fu Liu; Jian Lu; Davide Proserpio; Rong Cao","Interpenetrated metal-organic frameworks of self-catenated four-connected mok nets","Chem.Commun.","2011","47","","5982","","10.1039/c1cc10411j","","","0.71073","MoKα","","0.1412","0.0808","","","0.2389","0.2795","","","","","","0.993","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106424","7.601","0.002","29.239","0.008","14.315","0.004","90","","96.331","0.005","90","","3162","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co N6 O8 -","- C32 H32 Co N6 O8 -","- C128 H128 Co4 N24 O32 -","4","0.5","","Yun Gong; Tian-Fu Liu; Jian Lu; Davide Proserpio; Rong Cao","Interpenetrated metal-organic frameworks of self-catenated four-connected mok nets","Chem.Commun.","2011","47","","5982","","10.1039/c1cc10411j","","","0.71073","MoKα","","0.0791","0.0633","","","0.1603","0.182","","","","","","1.111","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106425","24.36","0.04","23.37","0.07","16.13","0.03","90","","105.104","0.015","90","","8865","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Co N4 O6 -","- C32 H22 Co N4 O6 -","- C256 H176 Co8 N32 O48 -","8","1","","Yun Gong; Tian-Fu Liu; Jian Lu; Davide Proserpio; Rong Cao","Interpenetrated metal-organic frameworks of self-catenated four-connected mok nets","Chem.Commun.","2011","47","","5982","","10.1039/c1cc10411j","","","0.71073","MoKα","","0.1018","0.0887","","","0.2682","0.2848","","","","","","1.043","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106426","8.7809","0.0004","15.2321","0.0006","10.2323","0.0005","90","","94.03","0.005","90","","1365.2","0.11","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(pytren-4Q)](ClO4)2(H2O)","","","- C23 H32 Cl2 Mn N6 O9 -","- C23 H32 Cl2 Mn N6 O9 -","- C46 H64 Cl4 Mn2 N12 O18 -","2","1","","Garcia-Espana, Enrique; Clares, Ma Paz; Blasco, Salvador; Inclan, Mario; Verdejo, Begona; del Castillo, Lucas; Soriano, Conxa; Domenech, Antonio; Latorre, Julio","Manganese(II) complexes of scorpiand-like azamacrocycles as MnSOD mimics","Chem.Commun.","2011","47","","5988","","10.1039/c1cc10526d","","","0.71073","MoKα","","0.1278","0.0746","","","0.1488","0.1806","","","","","","1.027","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106427","9.329","0.003","17.568","0.005","18.335","0.005","90","","105.68","0.016","90","","2893.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mn(pytren-2Q)](ClO4)2","","","- C23 H32 Cl2 Mn N6 O9 -","- C23 H32 Cl2 Mn N6 O9 -","- C92 H128 Cl8 Mn4 N24 O36 -","4","1","","Garcia-Espana, Enrique; Clares, Ma Paz; Blasco, Salvador; Inclan, Mario; Verdejo, Begona; del Castillo, Lucas; Soriano, Conxa; Domenech, Antonio; Latorre, Julio","Manganese(II) complexes of scorpiand-like azamacrocycles as MnSOD mimics","Chem.Commun.","2011","47","","5988","","10.1039/c1cc10526d","","","0.71073","MoKα","","0.2763","0.1139","","","0.3114","0.4127","","","","","","1.034","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106428","4.1224","0.001","11.955","0.003","16.433","0.004","90","","90","","90","","809.9","0.3","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0674","0.0441","","","0.0983","0.1118","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106429","4.1314","0.0011","11.955","0.003","16.429","0.004","90","","90","","90","","811.4","0.4","225","2","225","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0716","0.0457","","","0.102","0.1171","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106430","4.1427","0.0011","11.962","0.003","16.432","0.004","90","","90","","90","","814.3","0.4","240","2","240","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0742","0.0464","","","0.1041","0.1189","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106431","4.1524","0.0011","11.963","0.003","16.429","0.004","90","","90","","90","","816.1","0.4","255","2","255","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0789","0.0463","","","0.1014","0.1197","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106432","4.1632","0.0012","11.966","0.003","16.426","0.004","90","","90","","90","","818.3","0.4","270","2","270","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0838","0.0448","","","0.0994","0.1188","","","","","","0.979","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106433","4.177","0.0012","11.975","0.003","16.43","0.005","90","","90","","90","","821.8","0.4","285","2","285","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0877","0.0469","","","0.1053","0.1246","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106434","4.179","0.004","11.999","0.011","16.431","0.015","90","","90","","90","","823.9","1.3","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0975","0.0474","","","0.1091","0.1339","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106435","4.209","0.006","11.98","0.016","16.4","0.02","90","","90","","90","","827","1.9","315","2","315","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.138","0.0557","","","0.1161","0.1532","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106436","8.3826","0.0011","13.9767","0.0017","16.7662","0.002","91.452","0.012","96.337","0.01","96.79","0.01","1937.2","0.4","122","1","122","1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cl N2 O -","- C25 H17 Cl N2 O -","- C100 H68 Cl4 N8 O4 -","4","2","","Christian Richard Parker; Christian Gregers Tortzen; Søren Lindbaek Broman; Magnus Schau-Magnussen; Mogens Brønsted Nielsen","Lewis acid enhanced switching of the 1,1-dicyanodihydroazulene/vinylheptafulvene photo/thermoswitch","Chem.Commun.","2011","47","","6102","","10.1039/c1cc10804b","","","0.71073","MoKα","","0.0549","0.0417","","","0.0966","0.1075","","","","","","1.059","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106437","9.9401","0.001","13.7583","0.0015","14.9042","0.0016","100.529","0.002","96.973","0.002","102.216","0.002","1931.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H8 Cl6 O3 P -","- C64 H8 Cl6 O3 P -","- C128 H16 Cl12 O6 P2 -","2","1","","Guan-Wu Wang; Cong-Zhou Wang; San-E Zhu; Jian-Ping Zou","Manganese(III) acetate-mediated radical reaction of [60]fullerene with phosphonate esters affording unprecedented separable singly-bonded [60]fullerene dimers","Chem.Commun.","2011","47","","6111","","10.1039/c1cc10820d","","","0.71073","MoKα","","0.0848","0.069","","","0.1686","0.1786","","","","","","1.09","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106438","16.2679","0.0016","12.4433","0.0012","20.841","0.002","90","","110.648","0.001","90","","3947.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H88 F6 N4 O22 S2 -","- C78 H88 F6 N4 O22 S2 -","- C156 H176 F12 N8 O44 S4 -","2","0.5","","Suhan, Natalie D.; Allen, Laura; Gharib, Mireille T.; Viljoen, Elizabeth; Vella, Sarah J.; Loeb, Stephen J.","Colour coding the co-conformations of a [2]rotaxane flip-switch","Chemical Communications (Cambridge, United Kingdom)","2011","47","","5991","","10.1039/c1cc10948k","","","0.71073","MoKα","","0.1275","0.0827","","","0.202","0.24","","","","","","1.015","","","","has coordinates","287928","2023-12-01","09:00:37",""
"7106439","13.8446","0.0017","36.778","0.004","20.786","0.003","90","","96.962","0.002","90","","10506","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H126 F12 N6 O27 S4 -","- C92 H126 F12 N6 O27 S4 -","- C368 H504 F48 N24 O108 S16 -","4","1","","Suhan, Natalie D.; Allen, Laura; Gharib, Mireille T.; Viljoen, Elizabeth; Vella, Sarah J.; Loeb, Stephen J.","Colour coding the co-conformations of a [2]rotaxane flip-switch","Chemical Communications (Cambridge, United Kingdom)","2011","47","","5991","","10.1039/c1cc10948k","","","0.71073","MoKα","","0.235","0.099","","","0.2029","0.2715","","","","","","1","","","","has coordinates,has disorder","287928","2023-12-01","09:00:38",""
"7106440","8.5222","0.0009","10.2842","0.0011","37.821","0.004","90","","90","","90","","3314.8","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cl4 O14 U2 -","- C28 H16 Cl4 O14 U2 -","- C112 H64 Cl16 O56 U8 -","4","0.5","","N.P.Deifel; C.L.Cahill","Combining coordination and supramolecular chemistry for the formation of uranyl-organic hybrid materials","Chem.Commun.","2011","47","","6114","","10.1039/c1cc11116g","","","0.71073","MoKα","","0.0502","0.0371","","","0.0958","0.1124","","","","","","1.315","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106441","19.8826","0.0019","8.8238","0.0008","10.1004","0.001","90","","92.713","0.001","90","","1770","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Br4 O14 U2 -","- C28 H16 Br4 O14 U2 -","- C56 H32 Br8 O28 U4 -","2","0.5","","N.P.Deifel; C.L.Cahill","Combining coordination and supramolecular chemistry for the formation of uranyl-organic hybrid materials","Chem.Commun.","2011","47","","6114","","10.1039/c1cc11116g","","","0.71073","MoKα","","0.0435","0.0297","","","0.0649","0.0699","","","","","","1.061","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106442","20.645","0.002","8.8687","0.0008","10.0673","0.001","90","","92.429","0.002","90","","1841.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I4 O14 U2 -","- C28 H16 I4 O14 U2 -","- C56 H32 I8 O28 U4 -","2","0.5","","N.P.Deifel; C.L.Cahill","Combining coordination and supramolecular chemistry for the formation of uranyl-organic hybrid materials","Chem.Commun.","2011","47","","6114","","10.1039/c1cc11116g","","","0.71073","MoKα","","0.0541","0.036","","","0.0841","0.0901","","","","","","1.064","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106443","16.948","0.0011","32.864","0.002","31.135","0.002","90","","94.336","0.004","90","","17291.9","1.9","150","","150","","","","","","","","Kevin Mason","7","P 1 21/n 1","-P 2yn","14","","","","- C140 H242 B5 F20 Fe7 N18 O40 -","- C127 H185 B4 F16 Fe7 N18 O26 -","- C508 H740 B16 F64 Fe28 N72 O104 -","4","1","","Brechin, Euan","Linking [FeIII3] triangles with ""double-headed"" phenolic oximes","Chem.Commun.","2011","47","","6018","","10.1039/c1cc11146a","","","0.71073","MoKα","","0.1772","0.1166","","0.1532","0.1115","0.1115","","","","","","1.0984","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106444","34.877","0.003","34.877","0.003","23.646","0.003","90","","90","","90","","28763","5","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C284 H452 Fe4 O84 -","- C171.88 H199.64 Fe4 O28 -","- C687.52 H798.56 Fe16 O112 -","4","0.25","","Lindoy, Leonard","An Expanded Neutral M4L6 Cage that Encapsulates Four Tetrahydrofuran Molecules","Chem.Commun.","2011","47","","6042","","10.1039/c1cc11167a","","","0.71073","MoKα","","0.1249","0.0821","","","0.2143","0.2407","","","","","","0.917","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7106445","12.36","0.003","14.495","0.003","16.258","0.003","95.16","0.03","91.69","0.03","105.61","0.03","2789.6","1.1","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H52 Cu2 N8 O8 P2 S2 -","- C56 H52 Cu2 N8 O8 P2 S2 -","- C112 H104 Cu4 N16 O16 P4 S4 -","2","1","","Dry, Emily; Clegg, Jack; Breiner, Boris; Whitaker, Daniel; Stefak, Roman; Nitschke, Jonathan","Anion templation under pH control of self-assembled [2+2] and [3+3] metallomacrocycles containing a new dicopper(I) motif","Chem.Commun.","2011","47","","6021","","10.1039/c1cc11206f","","","0.71073","MoKα","","0.1474","0.0829","","","0.2241","0.2499","","","","","","1.032","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7106446","12.147","0.002","18.712","0.004","23.253","0.005","90","","90","","90","","5285.3","1.8","180","2","180","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C114 H106 B2 Cu4 F8 N9 O7.5 P4 -","- C114 H103 B2 Cu4 F8 N9 O7.5 P4 -","- C228 H206 B4 Cu8 F16 N18 O15 P8 -","2","0.25","","Dry, Emily; Clegg, Jack; Breiner, Boris; Whitaker, Daniel; Stefak, Roman; Nitschke, Jonathan","Anion templation under pH control of self-assembled [2+2] and [3+3] metallomacrocycles containing a new dicopper(I) motif","Chem.Commun.","2011","47","","6021","","10.1039/c1cc11206f","","","0.71073","MoKα","","0.0425","0.0372","","","0.094","0.0967","","","","","","1.119","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7106447","11.583","0.002","16.843","0.003","19.661","0.004","66.03","0.03","78.91","0.03","88.69","0.03","3432.9","1.4","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C124 H112 B2 Cu4 F8 N12 O12 P4 -","- C120 H106 B2 Cu4 F8 N10 O12 P4 -","- C120 H106 B2 Cu4 F8 N10 O12 P4 -","1","0.5","","Dry, Emily; Clegg, Jack; Breiner, Boris; Whitaker, Daniel; Stefak, Roman; Nitschke, Jonathan","Anion templation under pH control of self-assembled [2+2] and [3+3] metallomacrocycles containing a new dicopper(I) motif","Chem.Commun.","2011","47","","6021","","10.1039/c1cc11206f","","","0.71073","MoKα","","0.105","0.0812","","","0.2255","0.2437","","","","","","1.063","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7106448","10.195","0.002","21.342","0.004","18.533","0.004","90","","102.96","0.03","90","","3929.7","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cyclo(2)(2,6-di(1H-imidazol-1-yl)pyridine)(2)(1,4- dimethylenebenzene)_2 (Zn 2+)_4 di-2,6-naphthalenedicarboxylate_6 H2O","","","- C86 H58 N10 O22 Zn2 -","- C86 H58 N10 O22 Zn2 -","- C172 H116 N20 O44 Zn4 -","2","0.5","","Han-Yuan Gong; Brett M. Rambo; Won Cho; Vincent M. Lynch; Moonhyun Oh; Jonathan L. Sessler","Anion-directed assembly of a three-dimensional metal-organic rotaxane framework","Chem.Commun.","2011","47","","5973","","10.1039/c1cc10272a","","","0.71073","MoKα","","0.0957","0.0622","","","0.1245","0.1459","","","","","","1.001","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106449","3.919","0.005","12.184","0.005","16.985","0.005","90","0.005","94.834","0.005","90","0.005","808.1","1.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 Cl2 N -","- C10 H4 Cl2 N -","- C40 H16 Cl8 N4 -","4","1","","Md. Minarul Islam; Someshwar Pola; Yu-Tai Tao","High mobility n-channel single-crystal field-effect transistors based on 5,7,12,14-tetrachloro-6,13-diazapentacene","Chem.Commun.","2011","47","","6356","","10.1039/c1cc11762a","","","0.71073","MoKα","","0.0404","0.0305","","","0.0795","0.0855","","","","","","1.056","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106450","8.5268","0.001","8.921","0.002","10.1561","0.0012","104.645","0.002","113.487","0.001","94.976","0.002","670.05","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co3 N14 O12 -","- C16 H20 Co3 N14 O12 -","- C16 H20 Co3 N14 O12 -","1","0.5","","Yan-Qing Wang; Wei-Wei Sun; Zhen-Dong Wang; Qin-Xiang Jia; En-Qing Gao; You Song","Solvent-modulated slow magnetic relaxation in a two-dimensional compound composed of cobalt(II) single-chain magnets","Chem.Commun.","2011","47","","6386","","10.1039/c1cc12028j","","","0.71073","MoKα","","0.0576","0.0401","","","0.0904","0.1005","","","","","","0.999","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106451","12.475","0.004","12.475","0.004","26.82","0.007","90","","90","","120","","3614.7","1.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","(HL)2Fe6Br6","","","- C46 H48 Br6 Fe6 N12 -","- C46 H42 Br6 Fe6 N12 -","- C138 H126 Br18 Fe18 N36 -","3","0.166667","","Harris, T. David; Zhao, Qinliang; Sánchez, Raúl Hernández; Betley, Theodore A.","Expanded redox accessibility via ligand substitution in an octahedral Fe6Br6 cluster""","Chem.Commun.","2011","47","","6344","6346","10.1039/c1cc11561h","","","0.71073","MoKα","","0.0767","0.0482","","","0.1261","0.1469","","","","","","1.083","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106452","12.8566","0.0013","13.5153","0.0014","15.7219","0.0016","91.218","0.002","110.219","0.002","113.491","0.002","2310.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[PPh4]2[(HL)2Fe6Br6]","","","- C100 H102 Br6 Fe6 N14 O2 P2 -","- C100 H102 Br6 Fe6 N14 O2 P2 -","- C100 H102 Br6 Fe6 N14 O2 P2 -","1","0.5","","Harris, T. David; Zhao, Qinliang; Sánchez, Raúl Hernández; Betley, Theodore A.","Expanded redox accessibility via ligand substitution in an octahedral Fe6Br6 cluster""","Chem.Commun.","2011","47","","6344","6346","10.1039/c1cc11561h","","","0.71073","MoKα","","0.057","0.0369","","","0.0781","0.0854","","","","","","1.02","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106453","15.9441","0.0002","9.6494","0.0001","35.072","0.0007","90","","96.2821","0.0008","90","","5363.46","0.14","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H72 Br Cl Cu N P2 -","- C55.5 H72 Br Cl Cu N P2 -","- C222 H288 Br4 Cl4 Cu4 N4 P8 -","4","1","","Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa","Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.","Chem.Commun.","2011","47","","6332","","10.1039/c1cc11315a","","","0.71075","MoKα","","0.0969","0.0818","","","0.1827","0.1902","","","","","","1.241","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106454","11.715","0.002","24.683","0.005","19.4","0.004","90","","106.209","0.003","90","","5386.7","1.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H71 Cu F6 N P2 Sb -","- C55 H71 Cu F6 N P2 Sb -","- C220 H284 Cu4 F24 N4 P8 Sb4 -","4","1","","Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa","Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.","Chem.Commun.","2011","47","","6332","","10.1039/c1cc11315a","","","0.7107","MoKα","","0.1036","0.0875","","","0.227","0.2367","","","","","","1.396","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106455","12.075","0.003","17.639","0.004","17.853","0.004","111.242","0.003","101.392","0.002","105.382","0.0015","3229.7","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C67.5 H86 Cu F6 N2 P2 Sb -","- C67.5 H86 Cu F6 N2 P2 Sb -","- C135 H172 Cu2 F12 N4 P4 Sb2 -","2","1","","Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa","Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.","Chem.Commun.","2011","47","","6332","","10.1039/c1cc11315a","","","0.7107","MoKα","","0.1069","0.0833","","","0.186","0.2033","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106456","18.33","0.007","18.284","0.006","18.673","0.007","90","","110.23","0.004","90","","5872","4","173","2","173","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C57 H73 Cl2 Cu F6 N O P2 Sb -","- C57 H73 Cl1.98 Cu F6 N O P2 Sb -","- C228 H292 Cl7.92 Cu4 F24 N4 O4 P8 Sb4 -","4","1","","Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa","Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.","Chem.Commun.","2011","47","","6332","","10.1039/c1cc11315a","","","0.71073","MoKα","","0.1099","0.1005","","","0.3153","0.3193","","","","","","1.992","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106457","11.5918","0.0016","13.059","0.002","19.304","0.003","71.143","0.007","73.149","0.008","76.891","0.008","2617.9","0.7","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H71 Cu F6 N P3 -","- C55 H71 Cu F6 N P3 -","- C110 H142 Cu2 F12 N2 P6 -","2","1","","Yumiko Nakajima; Yu Shiraishi; Takahiro Tsuchimoto; Fumiyuki Ozawa","Synthesis and coordination behavior of Cy(I) bis(phosphaethenyl)pyridine complexes.","Chem.Commun.","2011","47","","6332","","10.1039/c1cc11315a","","","0.7107","MoKα","","0.0853","0.0719","","","0.1985","0.2095","","","","","","1.284","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106458","30.576","0.004","30.576","0.004","45.263","0.006","90","","90","","90","","42316","10","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C130.56 H231.04 N24 O56.86 U4 -","- C130.52 H215.56 N24 O57 U4 -","- C1044.16 H1724.48 N192 O456 U32 -","8","0.25","","Chengbao Ni; David K. Shuh; Kenneth N. Raymond","Uranyl sequestration: synthesis and structural characterization of uranyl complexes with a tetradentate methylterephthalamide ligand","Chem.Commun.","2011","47","","6392","","10.1039/c1cc11329a","","","0.71073","MoKα","","0.0763","0.0502","","","0.1509","0.1785","","","","","","1.186","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106459","9.9029","0.0011","18.94","0.002","22.97","0.003","105.053","0.002","94.779","0.002","102.429","0.002","4018.4","0.8","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H101.5 K4 N10 O29.5 U2 -","- C60 H98 K4 N10 O31.5 U2 -","- C120 H196 K8 N20 O63 U4 -","2","1","","Chengbao Ni; David K. Shuh; Kenneth N. Raymond","Uranyl sequestration: synthesis and structural characterization of uranyl complexes with a tetradentate methylterephthalamide ligand","Chem.Commun.","2011","47","","6392","","10.1039/c1cc11329a","","","0.71073","MoKα","","0.0293","0.0239","","","0.0568","0.0602","","","","","","1.039","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106460","18.4348","0.001","13.7677","0.0006","28.5655","0.0017","90","","90","","90","","7250.1","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C86 H92 Cu2 N4 O S2 -","- C86 H92 Cu2 N4 O S2 -","- C344 H368 Cu8 N16 O4 S8 -","4","1","","Peter Haack; Christian Limberg; Thomas Tietz; Ramona Metzinger","Unprecedented Binding of CS2 in a Dinuclear Copper(I) Complex","Chem.Commun.","2011","47","","6374","","10.1039/c1cc11518a","","","0.71073","MoKα","","0.0729","0.0528","","","0.1206","0.1295","","","","","","0.886","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106461","34.441","0.002","5.281","0.0003","19.1556","0.0012","90","","90.604","0.001","90","","3483.9","0.4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C160 H128 N32 O32 -","8","1","","'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng","Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn","Chem.Commun.","2011","47","","6416","","10.1039/c1cc11532d","","","0.71073","MoKα","","0.0614","0.0469","","","0.1086","0.1154","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106462","11.0265","0.0011","7.7675","0.0008","32.872","0.003","90","","96.551","0.003","90","","2797","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H27 N6 O7.5 -","- C29.5 H27 N6 O7.5 -","- C118 H108 N24 O30 -","4","1","","'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng","Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn","Chem.Commun.","2011","47","","6416","","10.1039/c1cc11532d","","","0.71073","MoKα","","0.1271","0.1146","","","0.2346","0.2414","","","","","","1.326","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106463","14.2827","0.0005","18.5948","0.0008","25.6428","0.001","90","","101.134","0.001","90","","6682.1","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 N8 O7 -","- C34 H28 Cl2 N8 O7 -","- C272 H224 Cl16 N64 O56 -","8","2","","'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng","Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn","Chem.Commun.","2011","47","","6416","","10.1039/c1cc11532d","","","0.71073","MoKα","","0.1085","0.0738","","","0.1488","0.1644","","","","","","1.1","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106464","8.0823","0.0007","16.6905","0.0014","25.88","0.002","90","","97.306","0.002","90","","3462.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 N10 O8 -","- C37 H32 N10 O8 -","- C148 H128 N40 O32 -","4","1","","'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng","Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn","Chem.Commun.","2011","47","","6416","","10.1039/c1cc11532d","","","0.71073","MoKα","","0.0722","0.0542","","","0.1351","0.1437","","","","","","1.065","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106465","11.2549","0.0002","18.963","0.0003","36.8567","0.0008","90","","98.605","0.002","90","","7777.7","0.3","293","2","293","2","","","","","","","synthesis","9","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 F6 N O5 P3 Re S Sb -","- C32 H32 F6 N O5 P3 Re S Sb -","- C256 H256 F48 N8 O40 P24 Re8 S8 Sb8 -","8","2","","García-Álvarez, Joaquún; Díez, Josefina; Gimeno, José; Seifried, Christine M.","Re(I) Catalysed Isomerisation of Propargylic Alcohols into α,β-Unsaturated Carbonyl Compounds: An Unprecedented Recyclable Catalytic System in Ionic Liquids.","Chem.Commun.","2011","47","","6470","6472","10.1039/c1cc10768b","","","0.71073","MoKα","","0.1207","0.0345","","","0.0564","0.0625","","","","","","0.684","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106466","16.4918","0.0003","22.0793","0.0004","22.2875","0.0004","90","","90","","90","","8115.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C68 H64 N32 O33.5 -","- C68 H64 N32 O33.508 -","- C272 H256 N128 O134.032 -","4","0.5","","Barry Pemberton; Raushan Singh; Alexander C. Johnson; Steffen Jockusch; Jose Paulo Da Silva; Angel Ugrinov; Nicholas J. Turro; D. K. Srivastava; Jayaraman Sivaguru","Supramolecular photocatalysis: insights into cucurbit[8]uril catalyzed photodimerization of 6-methylcoumarin","Chem.Commun.","2011","47","","6323","","10.1039/c1cc11164g","","","1.54178","CuKα","","0.077","0.0705","","","0.1966","0.2084","","","","","","1.067","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106467","9.8745","0.0008","30.983","0.003","11.4305","0.0009","90","","97.643","0.002","90","","3466","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 F6 Ir N5 P -","- C36 H27 F6 Ir N5 P -","- C144 H108 F24 Ir4 N20 P4 -","4","1","","Lei He; Lian Duan; Juan Qiao; Deqiang Zhang; Liduo Wang; Yong Qiu","Enhanced Stability of Blue-Green Light-Emitting Electrochemical Cells Based on a Cationic Iridium Complex with an Intramolecular Phenyl-Phenyl Stacking Interaction","Chem.Commun.","2011","47","","6467","","10.1039/c1cc11263e","","","0.71073","MoKα","","0.0479","0.0344","","","0.0646","0.0679","","","","","","1.141","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106468","23.8349","0.0018","25.5476","0.0018","26.003","0.002","90","","110.251","0.002","90","","14855.1","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H124 Mo30 N11 Na5 O154 Te10 -","- Mo30 N4 Na2 O134 Te10 -","- Mo120 N16 Na8 O536 Te40 -","4","0.5","","Romain Canioni; Catherine Marchal-Roch; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulèlle; Jérôme Marrot; Sebastien Paul; Carole Lamonier; Jean-François Paul; Stéphane Loridant; Jean-Marc M. Millet; Emmanuel Cadot","Selective conversion of {Mo132} Keplerate ion into 4-electron reduced crown-capped Keggin derivative [Te5Mo15O57]^8-^. A key intermediate to single phase M1 multielement MoVTeO light alkanes oxidation catalyst","Chem.Commun.","2011","47","","6413","","10.1039/c1cc11296a","","","0.71073","MoKα","","0.1115","0.0661","","","0.1908","0.2568","","","","","","1.04","","","","has coordinates","291143","2024-04-09","08:48:43",""
"7106469","18.372","0.0007","21.0842","0.001","30.7821","0.0015","89.917","0.004","86.768","0.004","67.305","0.004","10980.3","0.9","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C117.5 H184.5 Bi38 O110.25 S10.75 -","- C117.494 H184.5 Bi38 O110.25 S10.75 -","- C234.988 H369 Bi76 O220.5 S21.5 -","2","1","","Linda Miersch; Tobias Rüffer; Michael Mehring","Organic-inorganic hybrid materials starting from the novel nanoscaled bismuth oxido methacrylate cluster [Bi38O45(OMc)24(DMSO)9].2DMSO.7H2O","Chem.Commun.","2011","47","","6353","","10.1039/C1CC11299F","","","0.71073","MoKα","","0.0539","0.0351","","","0.0835","0.0863","","","","","","0.975","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106470","10.851","0.003","11.497","0.004","11.603","0.004","75.086","0.005","62.443","0.005","62.128","0.005","1132.9","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34.5 Cu5 N4 O36.25 -","- C32 H14 Cu5 N4 O26 -","- C32 H14 Cu5 N4 O26 -","1","0.5","","Yonggang Zhao; Moothetty Padmanabhan; Qihan Gong; Nobuko Tsumori; Qiang Xu; Jing Li","CO catalytic oxidation by metal organic framework containing high density of reactive copper sites","Chem.Commun.","2011","47","","6377","","10.1039/c1cc00001b","","","0.71073","MoKα","","0.0568","0.0444","","","0.1176","0.1234","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106471","20.8645","0.0008","20.3201","0.0009","27.2798","0.0011","90","","96.035","0.001","90","","11501.7","0.8","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C131 H268 Cl10 Mn32 O94.6 -","- C131 H268 Cl10 Mn32 O94.6 -","- C262 H536 Cl20 Mn64 O189.2 -","2","0.5","","Stuart K. Langley; Rachel A. Stott; Nicholas F. Chilton; Boujemaa Moubaraki; Keith S. Murray","A high nuclearity mixed valence {Mn32} Cluster","Chem.Commun.","2011","47","","6281","","10.1039/c1cc00035g","","","0.71073","MoKα","","0.104","0.0812","","","0.1553","0.1672","","","","","","1.143","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106472","63.089","0.0003","63.089","0.0003","63.089","0.0003","90","","90","","90","","251108","2","150","2","150","2","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C2688 H1856 N192 O1408 Zn192 -","- C2688 H1344 N192 O1408 Zn192 -","- C5376 H2688 N384 O2816 Zn384 -","2","0.0104167","","Zheng-Jie Zhang; Wei Shi; Zheng Niu; Huan-Huan Li; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","A new type of polyhedron-based metal-organic frameworks with interpenetrating cationic and anionic nets demonstrating ion exchange, adsorption and luminescent properties","Chem.Commun.","2011","47","","6425","","10.1039/c1cc00047k","","","0.71073","MoKα","","0.0823","0.0582","","","0.2037","0.2119","","","","","","1.032","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106473","19.9699","0.0019","17.073","0.0015","30.915","0.002","90","","126.461","0.004","90","","8477.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H87.5 Cu4 N10 O36 -","- C112 H76 Cu4 N10 O36 -","- C224 H152 Cu8 N20 O72 -","2","0.5","","Zheng-Jie Zhang; Wei Shi; Zheng Niu; Huan-Huan Li; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","A new type of polyhedron-based metal-organic frameworks with interpenetrating cationic and anionic nets demonstrating ion exchange, adsorption and luminescent properties","Chem.Commun.","2011","47","","6425","","10.1039/c1cc00047k","","","0.71075","MoKα","","0.1056","0.0688","","","0.1798","0.1991","","","","","","0.966","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106474","9.328","0.002","29.816","0.006","15.503","0.003","90","","109.638","0.01","90","","4061","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl2 Cu N7 O13 -","- C34 H40 Cl2 Cu N7 O13 -","- C136 H160 Cl8 Cu4 N28 O52 -","4","1","","Subrata Saha; I. Ravikumar; Pradyut Ghosh","Cu(II) assisted self-sorting towards pseudorotaxane formation","Chem.Commun.","2011","47","","6272","","10.1039/c1cc10472a","","","0.71073","MoKα","","0.1174","0.0609","","","0.1123","0.1341","","","","","","1.028","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106475","11.7929","0.0009","11.6986","0.0009","32.65","0.002","90","","97.443","0.002","90","","4466.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H45 Cl2 Cu N7 O14 -","- C42 H30 Cl2 Cu N7 O14 -","- C168 H120 Cl8 Cu4 N28 O56 -","4","1","","Subrata Saha; I. Ravikumar; Pradyut Ghosh","Cu(II) assisted self-sorting towards pseudorotaxane formation","Chem.Commun.","2011","47","","6272","","10.1039/c1cc10472a","","","0.71073","MoKα","","0.0794","0.0591","","","0.166","0.1791","","","","","","1.06","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106476","15.7347","0.0017","17.1841","0.0018","19.617","0.002","101.428","0.003","109.835","0.002","99.502","0.003","4732.8","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H128 F2 N14 O24 -","- C88 H121 F2 N14 O24 -","- C176 H242 F4 N28 O48 -","2","1","","M. Arunachalam; Pradyut Ghosh","Encapsulation of [F4(H2O)10]4? in a dimeric assembly of an unidirectional arene based hexapodal amide receptor","Chem.Commun.","2011","47","","6269","","10.1039/c1cc10742a","","","0.71073","MoKα","","0.1236","0.075","","","0.1985","0.2304","","","","","","1.038","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106477","13.115","0.003","27.983","0.006","13.542","0.003","90","","93.325","0.005","90","","4961.5","1.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C98 H136 N14 O26 -","- C98 H136 N14 O26 -","- C196 H272 N28 O52 -","2","0.5","","M. Arunachalam; Pradyut Ghosh","Encapsulation of [F4(H2O)10]4? in a dimeric assembly of an unidirectional arene based hexapodal amide receptor","Chem.Commun.","2011","47","","6269","","10.1039/c1cc10742a","","","0.71073","MoKα","","0.116","0.0656","","","0.1634","0.2208","","","","","","1.009","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106478","26.8824","0.0003","23.1806","0.0003","19.5962","0.0002","90","","90","","90","","12211.4","0.2","100","2","100","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C86 H156 Ce Cr6 F7 N2 O31 -","- C86 H156 Ce Cr6 F7 N2 O31 -","- C344 H624 Ce4 Cr24 F28 N8 O124 -","4","1","","Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny","Chromium Chains as Polydentate Fluoride Ligands for Lanthanides","Chem.Commun.","2011","47","","6251","","10.1039/c1cc11516b","","x-ray","0.71073","MoKα","","0.0695","0.0587","","","0.1513","0.1632","","","","","","1.062","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106479","13.7868","0.0005","19.6213","0.0006","41.6885","0.0011","90","","95.757","0.003","90","","11220.5","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C140 H261 Cr12 F18 Gd2 N3 O52 -","- C140 H261 Cr12 F18 Gd2 N3 O52 -","- C280 H522 Cr24 F36 Gd4 N6 O104 -","2","1","","Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny","Chromium Chains as Polydentate Fluoride Ligands for Lanthanides","Chem.Commun.","2011","47","","6251","","10.1039/c1cc11516b","","","0.71073","MoKα","","0.1673","0.1283","","","0.3273","0.352","","","","","","1.051","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106480","18.493","0.007","23.672","0.009","28.318","0.012","104.74","0.004","99.892","0.003","99.161","0.006","11539","8","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C153 H285 Cr12 F21 Gd4 N2 O58 -","- C153 H285 Cr12 F21 Gd4 N2 O58 -","- C306 H570 Cr24 F42 Gd8 N4 O116 -","2","1","","Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny","Chromium Chains as Polydentate Fluoride Ligands for Lanthanides","Chem.Commun.","2011","47","","6251","","10.1039/c1cc11516b","","x-ray","0.6889","Synchrotron","","0.1287","0.0999","","","0.2229","0.2474","","","","","","1.11","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106481","18.485","0.004","23.817","0.005","28.73","0.006","103.809","0.003","99.436","0.003","99.405","0.003","11843","4","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C153 H285 Cr12 F21 N2 O58 Y4 -","- C153 H285 Cr12 F21 N2 O58 Y4 -","- C306 H570 Cr24 F42 N4 O116 Y8 -","2","1","","Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny","Chromium Chains as Polydentate Fluoride Ligands for Lanthanides","Chem.Commun.","2011","47","","6251","","10.1039/c1cc11516b","","x-ray","0.7749","synchrotron","","0.1262","0.0959","","","0.2569","0.2785","","","","","","1.073","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106482","46.4797","0.0009","19.2626","0.0005","34.649","0.001","90","","116.349","0.002","90","","27799","1.3","100","2","100","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H175 Cr6 F8 N O36.5 Y2 -","- C91 H171 Cr6 F8 N O36.5 Y2 -","- C728 H1368 Cr48 F64 N8 O292 Y16 -","8","1","","Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny","Chromium Chains as Polydentate Fluoride Ligands for Lanthanides","Chem.Commun.","2011","47","","6251","","10.1039/c1cc11516b","","x-ray","0.71073","MoKα","","0.1779","0.1036","","","0.2413","0.2692","","","","","","1.246","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106483","10.3622","0.0007","11.2452","0.0008","11.8058","0.0009","73.036","0.003","79.538","0.003","84.082","0.003","1292.1","0.16","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 B N4 O13 P2 -","- C20 H20 B N4 O13 P2 -","- C40 H40 B2 N8 O26 P4 -","2","1","","Ralf Haiges; Katarzyna M. Blazewska; Boris A. Kashemirov; Frank H. Ebetino; Charles E. McKenna","A serendipitous phosphonocarboxylate complex of boron: when vessel becomes reagent","Chem.Commun.","2011","47","","6395","","10.1039/c1cc10876j","","","0.71073","MoKα","","0.1142","0.0777","","","0.2124","0.2362","","","","","","1.013","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106484","10.079","0.0007","19.0802","0.0015","12.1281","0.0009","90","","100.406","0.001","90","","2294","0.3","119","2","119","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 F12 N6 Ni P2 -","- C18 H16 F12 N6 Ni P2 -","- C72 H64 F48 N24 Ni4 P8 -","4","0.5","","V. Sara Thoi; Christopher J. Chang","Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water","Chem.Commun.","2011","","","6578","","10.1039/c1cc10449g","","","0.71073","MoKα","","0.022","0.0217","","","0.057","0.0572","","","","","","1.1","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106485","10.655","0.0015","21.779","0.003","21.88","0.003","90","","99.063","0.002","90","","5014","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 F12 N12 Ni2 O4 P2 -","- C44 H52 F12 N12 Ni2 O4 P2 -","- C176 H208 F48 N48 Ni8 O16 P8 -","4","1","","V. Sara Thoi; Christopher J. Chang","Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water","Chem.Commun.","2011","","","6578","","10.1039/c1cc10449g","","","0.71073","MoKα","","0.0836","0.0405","","","0.0825","0.1002","","","","","","1.006","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106486","7.404","0.0017","31.424","0.007","16.616","0.004","90","","98.615","0.004","90","","3822.3","1.5","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 F6 N12 Ni2 O6 S2 -","- C36 H28 F6 N12 Ni2 O6 S2 -","- C144 H112 F24 N48 Ni8 O24 S8 -","4","1","","V. Sara Thoi; Christopher J. Chang","Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water","Chem.Commun.","2011","","","6578","","10.1039/c1cc10449g","","","0.71073","MoKα","","0.0939","0.0518","","","0.1058","0.1254","","","","","","1.011","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106487","33.73","0.004","33.73","0.004","13.4121","0.0018","90","","90","","120","","13215","3","119","2","119","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C19 H18 F12 N6 Ni P2 -","- C19 H18 F12 N6 Ni P2 -","- C342 H324 F216 N108 Ni18 P36 -","18","1","","V. Sara Thoi; Christopher J. Chang","Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water","Chem.Commun.","2011","","","6578","","10.1039/c1cc10449g","","","0.71073","MoKα","","0.0485","0.0406","","","0.1052","0.1099","","","","","","1.101","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106488","16.6949","0.0007","16.6949","0.0007","105.524","0.009","90","","90","","120","","25471","3","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","hexaaquodi((+/-)-2,7,12-trimethoxy-3,8,13-tris(4-(5- pyrimidyl)benzoyl)-10,15-dihydro-5H- tribenzo(a,d,g)cyclononane)triscopper(ii) nitrate","hexaaquodi[(+/-)-2,7,12-trimethoxy-3,8,13-tris[4- (5-pyrimidyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]triscopper(II) nitrate","","- C114 H96 Cu3 N18 O45 -","- C114 H84 Cu3 N15 O33 -","- C684 H504 Cu18 N90 O198 -","6","0.166667","","James J. Henkelis; Tanya K. Ronson; Lindsay P. Harding; Michaele J. Hardie","M3L2 metallo-cryptophanes: [2]catenane and simple cages","Chem.Commun.","2011","47","","6560","","10.1039/c1cc10806a","","","0.71073","MoKα","","0.1041","0.0927","","","0.31","0.3215","","","","","","1.402","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106489","16.5503","0.0008","16.5503","0.0008","106.295","0.011","90","","90","","120","","25215","3","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","di((+/-)-2,7,12-trimethoxy-3,8,13-tris(4-(5- pyrimidyl)benzoyl)-10,15-dihydro-5H- tribenzo(a,d,g)cyclononane)trissilver(i) tetrafluoroborate","di[(+/-)-2,7,12-trimethoxy-3,8,13-tris[4- (5-pyrimidyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]trissilver(I) tetrafluoroborate","","- C114 H84 Ag3 B3 F12 N12 O18 -","- C114 H84 Ag3 N12 O18 -","- C684 H504 Ag18 N72 O108 -","6","0.166667","","James J. Henkelis; Tanya K. Ronson; Lindsay P. Harding; Michaele J. Hardie","M3L2 metallo-cryptophanes: [2]catenane and simple cages","Chem.Commun.","2011","47","","6560","","10.1039/c1cc10806a","","","0.71073","MoKα","","0.1206","0.1113","","","0.3161","0.326","","","","","","1.103","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106490","33.352","0.003","19.288","0.002","40.328","0.003","90","","104.583","0.004","90","","25107","4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","bis(di((+/-)-2,7,12-trimethoxy-3,8,13-tris(3- pyridylmethyloxy)-10,15-dihydro-5H-tribenzo (a,d,g)cyclononane)trissilver(i) perchlorate dimethylsulfoxide clathrate","bis[di{(+/-)-2,7,12-trimethoxy-3,8,13- tris(3-pyridylmethyloxy)-10,15-dihydro-5H-tribenzo [a,d,g]cyclononane}trissilver(I) perchlorate dimethylsulfoxide clathrate","","- C177 H177 Ag6 Cl6 N15 O51 -","- C177 H177 Ag6 Cl6 N15 O51.02 -","- C708 H708 Ag24 Cl24 N60 O204.08 -","4","1","","James J. Henkelis; Tanya K. Ronson; Lindsay P. Harding; Michaele J. Hardie","M3L2 metallo-cryptophanes: [2]catenane and simple cages","Chem.Commun.","2011","47","","6560","","10.1039/c1cc10806a","","","0.71073","MoKα","","0.1459","0.1037","","","0.2446","0.2617","","","","","","1.291","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106491","17.3263","0.0015","18.5078","0.0016","20.1683","0.0018","105.661","0.005","91.642","0.005","99.204","0.005","6129.5","0.9","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C95 H84 B2 Cl6 F48 Fe4 O8 P4 S6 -","- C92 H78 B2 F48 Fe4 O8 P4 S6 -","- C184 H156 B4 F96 Fe8 O16 P8 S12 -","2","1","","Olsen, Matthew T.; Gray, Danielle L.; Rauchfuss, Thomas B.; Gioia, Luca De; Zampella, Giuseppe","Stereochemistry of electrophilic attack at 34e^-^ dimetallic complexes: the case of diiron dithiolato carbonyls + MeS^+^","Chemical Communications (Cambridge, United Kingdom)","2011","47","23","6554","6556","10.1039/c1cc10858a","","","0.71073","MoKα","","0.0648","0.0452","","","0.1132","0.1214","","","","","","1.045","","","","has coordinates,has disorder","209692","2020-10-21","18:00:00",""
"7106492","11.4368","0.0009","9.3232","0.0004","13.8085","0.0011","90","","103.023","0.003","90","","1434.5","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Au dienyne product 1b","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Soo Min Kim; Ji Hoon Park; Young Keun Chung","Au(PPh3)OPOF2-Catalyzed Intramolecular [4+2] Cycloaddition Reaction of Dienynes","Chem.Commun.","2011","47","","6719","","10.1039/c1cc11127b","","","0.71073","MoKα","","0.1103","0.0576","","","0.1406","0.1754","","","","","","1.105","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106493","8.0592","0.0002","10.6389","0.0004","16.718","0.0007","90","","90","","90","","1433.42","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Au catalyzed dienyne 1c","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Soo Min Kim; Ji Hoon Park; Young Keun Chung","Au(PPh3)OPOF2-Catalyzed Intramolecular [4+2] Cycloaddition Reaction of Dienynes","Chem.Commun.","2011","47","","6719","","10.1039/c1cc11127b","","","0.71073","MoKα","","0.0443","0.0376","","","0.0989","0.1034","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106494","10.9034","0.0006","9.1653","0.0005","18.9173","0.001","90","","100.487","0.003","90","","1858.88","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Au PF2O2","","","- C18 H15 Au F2 O2 P2 -","- C18 H15 Au F2 O2 P2 -","- C72 H60 Au4 F8 O8 P8 -","4","1","","Soo Min Kim; Ji Hoon Park; Young Keun Chung","Au(PPh3)OPOF2-Catalyzed Intramolecular [4+2] Cycloaddition Reaction of Dienynes","Chem.Commun.","2011","47","","6719","","10.1039/c1cc11127b","","","0.71073","MoKα","","0.067","0.0478","","","0.1156","0.1261","","","","","","1.062","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106495","16.835","0.003","13.587","0.003","19.79","0.004","90","","101.8","0.03","90","","4431","1.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C89 H106 N4 O22 Se4 -","- C89 H106 N4 O22 Se4 -","- C178 H212 N8 O44 Se8 -","2","1","","Zhang, Tao; Cheng, Liang; Hameed, Shahid; Liu, Li; Wang, Dong; Chen, Yong-Jun","Highly enantioselective Michael addition of 2-oxindoles to vinyl selenone in RTILs catalyzed by a Cinchona alkaloid-based thiourea","Chemical Communications (Cambridge, United Kingdom)","2011","47","23","6644","6646","10.1039/c1cc10880h","","","0.71073","MoKα","","0.0759","0.0642","","","0.1319","0.1419","","","","","","1.109","","","","has coordinates","210408","2020-10-21","18:00:00",""
"7106496","6.9264","0.0011","18.236","0.003","10.118","0.0015","90","","96.601","0.012","90","","1269.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cu2 N2 O11 -","- C6 H2 Cu2 N2 O11 -","- C24 H8 Cu8 N8 O44 -","4","1","","Chao Chen; Jian-Ke Sun; Wei Li; Chang-Neng Chen; Jie Zhang","Structural interconversion between a chain polymer and a two-dimensional network accompanied by tunable magnetic properties","Chem.Commun.","2011","","","6683","","10.1039/c0cc05763k","","","0.71073","MoKα","","0.0673","0.0463","","","0.1078","0.1203","","","","","","1.07","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106497","4.9845","0.0009","9.456","0.002","18.431","0.005","90","","90.803","0.015","90","","868.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Cu2 N2 O7 -","- C6 H Cu2 N2 O7 -","- C24 H4 Cu8 N8 O28 -","4","1","","Chao Chen; Jian-Ke Sun; Wei Li; Chang-Neng Chen; Jie Zhang","Structural interconversion between a chain polymer and a two-dimensional network accompanied by tunable magnetic properties","Chem.Commun.","2011","","","6683","","10.1039/c0cc05763k","","","0.71073","MoKα","","0.0618","0.0475","","","0.1643","0.2311","","","","","","1.109","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106498","17.898","0.0009","8.229","0.0004","15.4709","0.0006","90","","90","","90","","2278.6","0.18","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Xufeng Lin; Zhenjun Mao; Xixiang Dai; Ping Lu; Yanguang Wang","A straightforward one-pot multicomponent synthesis of polysubstituted pyrroles","Chem.Commun.","2011","47","","6620","","10.1039/c1cc11363a","","","0.71073","MoKα","","0.069","0.0544","","","0.1461","0.1597","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106499","12.5289","0.0004","46.5485","0.0011","10.4955","0.0005","90","","113.316","0.005","90","","5621.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 N O2 -","- C38 H27 N O2 -","- C304 H216 N8 O16 -","8","2","","Xufeng Lin; Zhenjun Mao; Xixiang Dai; Ping Lu; Yanguang Wang","A straightforward one-pot multicomponent synthesis of polysubstituted pyrroles","Chem.Commun.","2011","47","","6620","","10.1039/c1cc11363a","","","1.54184","CuKα","","0.0835","0.0513","","","0.1201","0.1394","","","","","","1.019","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106500","17.683","0.008","11.118","0.005","13.547","0.006","90","","95.469","0.013","90","","2651","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H24 N2 O7 S -","- C32 H21 N2 O7 S -","- C128 H84 N8 O28 S4 -","4","1","","Goutam Mahata; Sandipan Roy; Kumar Biradh","Separation of isomers of sulfophthalic acid by guest induced host framework formation with 4,4'-bipyridine.","Chem.Commun.","2011","47","","6614","","10.1039/c1cc11481f","","","0.71073","MoKα","","0.1323","0.0789","","","0.1677","0.2082","","","","","","1.084","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106501","8.345","0.004","10.533","0.005","16.28","0.008","102.425","0.013","93.061","0.015","93.425","0.013","1391.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N6 O22 S4 -","- C56 H48 N6 O22 S4 -","- C56 H48 N6 O22 S4 -","1","0.5","","Goutam Mahata; Sandipan Roy; Kumar Biradh","Separation of isomers of sulfophthalic acid by guest induced host framework formation with 4,4'-bipyridine.","Chem.Commun.","2011","47","","6614","","10.1039/c1cc11481f","","","0.71073","MoKα","","0.1174","0.0778","","","0.1982","0.2308","","","","","","1.379","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106502","6.4932","0.0002","25.459","0.0007","12.3876","0.0004","90","","102.543","0.001","90","","1998.92","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3-Fluoro-1-hydroxyacetone phosphate, bis-cyclohexylammonum salt, monohydrate","","","- C15 H36 F N2 O7 P -","- C15 H36 F N2 O7 P -","- C60 H144 F4 N8 O28 P4 -","4","1","","Michael Fischer; Hanspeter Kahlig; Walther Schmid","Gram scale synthesis of 3-fluoro-1-hydroxyacetone phosphate: a novel donor substrate in rabbit muscle aldolase-catalyzed aldol reactions","Chem.Commun.","2011","47","","6647","","10.1039/c1cc11579k","","","0.71073","MoKα","","0.042","0.033","","","0.0859","0.0918","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106503","8.2209","0.0002","8.9923","0.0003","13.813","0.0004","90","","90","","90","","1021.12","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C28 H64 Cl4 N4 O16 -","4","1","","Fowler, Lindsay S.; Thomas, Lynne H.; Ellis, David; Sutherland, Andrew","A one-pot, reductive amination/6-endo-trig cyclisation for the stereoselective synthesis of 6-substituted-4-oxopipecolic acids","Chemical Communications (Cambridge, United Kingdom)","2011","47","23","6569","6571","10.1039/c1cc11916h","","","0.71073","MoKα","","0.0352","0.0283","","","","0.0639","","","","","","1.057","","","","has coordinates","212582","2020-10-21","18:00:00",""
"7106504","6.1538","0.0011","21.31","0.004","11.187","0.002","90","","95.366","0.008","90","","1460.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","2","","Abraham L. Moure; Ramon Gomez Arrayas; Juan C. Carretero","Catalytic asymmetric conjugate boration of ?,?-unsaturated sulfones","Chem.Commun.","2011","47","","6701","","10.1039/c1cc11949d","","","0.71073","MoKα","","0.0591","0.0524","","","0.1481","0.1592","","","","","","1.034","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106505","5.9021","0.0002","12.0619","0.0003","12.1167","0.0009","114.388","0.008","95.781","0.007","95.404","0.007","772.81","0.09","200","","200","","","","","","","","","3","P -1","-P 1","2","Octamethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate","Octamethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate","","- C34 H28 O16 -","- C34 H28 O16 -","- C34 H28 O16 -","1","0.5","","Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito","Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy","Chemical Communications","2011","47","","6653","6655","10.1039/c1cc11655j","","x-ray","1.54178","CuKα","","0.0759","0.0598","","","0.1593","0.1686","","","","","","1.065","","","","has coordinates","138943","2020-10-21","18:00:00",""
"7106506","9.8822","0.0007","27.2631","0.0005","8.2149","0.0006","90","","65.161","0.008","90","","2008.5","0.2","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Octaethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate","Octaethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate","","- C42 H44 O16 -","- C42 H44 O16 -","- C84 H88 O32 -","2","0.5","","Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito;","Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy","Chem.Commun.","2011","","","6653","","10.1039/c1cc11655j","","x-ray","1.54178","CuKα","","0.0561","0.0526","","","0.1498","0.1533","","","","","","1.074","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106507","9.57","0.002","10.081","0.002","13.754","0.002","72.313","0.004","73.227","0.004","73.558","0.004","1182.3","0.4","173","","173","","","","","","","","","3","P -1","-P 1","2","Octapropyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate","Octapropyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate","","- C50 H60 O16 -","- C50 H60 O16 -","- C50 H60 O16 -","1","0.5","","Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito;","Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy","Chem.Commun.","2011","","","6653","","10.1039/c1cc11655j","","x-ray","0.71073","MoKα","","0.1546","0.0805","","","0.2098","0.2587","","","","","","0.969","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106508","9.979","0.005","11.85","0.003","11.906","0.005","76.22","0.14","73.6","0.12","66.89","0.08","1229.2","1.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Fe7 N4 O26 -","- C34 H30 Fe7 N4 O26 -","- C34 H30 Fe7 N4 O26 -","1","0.5","","Hironori Tsutsumi; Yusuke Sunada; Hideo Nagashima","New catalyst systems for iron-catalyzed hydrosilane reduction of carboxamides","Chem.Commun.","2011","47","","6581","","10.1039/c1cc10636h","","","0.71075","MoKα","","","0.0247","","","","0.0989","","","","","","1.002","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106509","11.057","0.004","12.834","0.005","19.13","0.007","95.729","0.006","90.211","0.005","99.258","0.006","2665.4","1.7","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H84 F4 N2 O9 P2 -","- C51 H84 F4 N2 O9 P2 -","- C102 H168 F8 N4 O18 P4 -","2","1","","Kiyoshi Kanie; Junji Sekiguchi; Xiangbing Zeng.; Goran Ungar; Atsushi Muramatsu","Phospholipids with a stimuli-responsive thermotropic liquid-crystalline moiety","Chem.Commun.","2011","47","","6885","","10.1039/c1cc11843a","","","0.7107","MoKα","","","0.0469","","","","0.127","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106510","39.672","0.018","8.106","0.003","36.949","0.018","90","","140.303","0.007","90","","7589","6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 B2 F8 Fe N10 -","- C38 H30 B2 F8 Fe N10 -","- C304 H240 B16 F64 Fe8 N80 -","8","1","","Yuta Hasegawa; Kazuhiro Takahashi; Shoko Kume; Hiroshi Nishihara","Complete solid state photoisomerization of s bis(dipyrazolylstyrylpyridine)iron(II) to change magnetic propertie","Chem.Commun.","2011","47","","6846","","10.1039/c1cc11850a","","","0.71073","MoKα","","","0.0927","","","","0.2656","","","","","","1.098","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106511","17.211","0.004","15.17","0.003","19.113","0.004","90","","111.999","0.003","90","","4626.9","1.7","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 B2 F8 Fe N10 O6 -","- C46 H42 B2 F8 Fe N10 O6 -","- C184 H168 B8 F32 Fe4 N40 O24 -","4","0.5","","Yuta Hasegawa; Kazuhiro Takahashi; Shoko Kume; Hiroshi Nishihara","Complete solid state photoisomerization of s bis(dipyrazolylstyrylpyridine)iron(II) to change magnetic propertie","Chem.Commun.","2011","47","","6846","","10.1039/c1cc11850a","","","0.71073","MoKα","","","0.0552","","","","0.1493","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106512","12.293","0.0012","16.142","0.007","17.387","0.004","92.43","0.03","95.969","0.009","99.74","0.02","3375.7","1.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H138 Mo8 N16 O31 Ru2 S5 -","- C94 H108 Mo8 N16 O31 Ru2 S5 -","- C94 H108 Mo8 N16 O31 Ru2 S5 -","1","0.5","","Kirsten Heussner; Katrin Peuntinger; Nils Rockstroh; Leanne C. Nye; Ivana Ivanovic-Burmazovic; Sven Rau","Solution and solid-state interactions in a supramolecular ruthenium photosensitizer-polyoxometalate aggregate","Chem.Commun.","2011","47","","6852","","10.1039/c1cc11859e","","","0.71073","MoKα","","0.0673","0.0492","","","0.146","0.1571","","","","","","1.09","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106513","6.941","0.006","7.13","0.006","18.45","0.015","90.096","0.01","90.099","0.012","90.035","0.012","913.1","1.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 Br2 O2 S -","- C18 H16 Br2 O2 S -","- C36 H32 Br4 O4 S2 -","2","2","","Shengcai Zheng; Weiwing Huang; Ning Gao; Ruimin Cui; Min Zhang; Xiaoming Zhao","One Pot Iridium-Catalyzed Asymmetrical Double Allylations of Sodium Sulfide:a Fast and Economic Way to Construct Chiral C2-Symmetric Bis(1-Substituted-Allyl)Sulfane","Chem.Commun.","2011","47","","6969","","10.1039/c1cc11930c","","","0.71073","MoKα","","0.0942","0.0775","","","0.2218","0.2412","","","","","","1.06","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106514","17.061","0.006","11.823","0.004","21.703","0.007","90","","109.419","0.004","90","","4129","2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H46 Ca Cl2 N6 O12 -","- C34 H46 Ca Cl2 N6 O12 -","- C136 H184 Ca4 Cl8 N24 O48 -","4","2","","Masaki Yamamura; Junya Miyake; Yuki Imamura; Tatsuya Nabeshima","Ca2±induced Folding of a Chiral Ditopic Receptor Based on a Pybox Ligand and Enhancement of Anion Recognition","Chem.Commun.","2011","47","","6801","","10.1039/c0cc05799a","","","0.71073","MoKα","","0.095","0.0622","","","0.1417","0.155","","","","","","1.026","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106515","19.3049","0.0009","10.4688","0.0005","18.1473","0.0005","90","","109.352","0.003","90","","3460.3","0.3","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","DP131 CH2Cl2","","","- C30 H18 Au2 F20 Hg P2 -","- C30 H18 Au2 F20 Hg P2 -","- C120 H72 Au8 F80 Hg4 P8 -","4","0.5","","Jose M. Lopez-de-Luzuriaga; Miguel Monge; M. Elena Olmos; David Pascual; Tania Lasanta","Amalgamating at the molecular level. A study of the strong closed-shell Au(I)Hg(II) interaction","Chem.Commun.","2011","47","","6795","","10.1039/c1cc11036e","","x-ray","0.71073","MoKα","","0.056","0.0342","","","0.0667","0.0738","","","","","","1.062","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106516","15.206","0.0001","29.7187","0.0002","28.7031","0.0003","90","","103.544","0.001","90","","12610.3","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C144 H78 Cd Cl16 Eu2 N28 O -","- C144 H76 Cd Cl16 Eu2 N28 O -","- C576 H304 Cd4 Cl64 Eu8 N112 O4 -","4","1","","Hailong Wang; Kang Wang; Yongzhong Bian; Jianzhuang Jiang; Nagao Kobayashi","Mixed (phthalocyaninato)(porphyrinato) heterometal complexes with sandwich quadruple-decker molecular structure","Chem.Commun.","2011","47","","6879","","10.1039/c1cc11190f","","","1.54184","CuKα","","0.074","0.0586","","","0.1539","0.1658","","","","","","0.977","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106517","9.7289","0.0016","13.557","0.002","20.495","0.003","73.683","0.002","77.666","0.002","87.015","0.003","2534.3","0.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H40 Dy F9 N2 O6 -","- C56 H40 Dy F9 N2 O6 -","- C112 H80 Dy2 F18 N4 O12 -","2","1","","Dong-Ping Li; Xiao-Peng Zhang; Tian-Wei Wang; Bin-Bin Ma; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Distinct magnetic dynamic behavior for two polymorphs of the same Dy(III) complex","Chem.Commun.","2011","47","","6867","","10.1039/c1cc11659b","","","0.71073","MoKα","","0.0786","0.0579","","","0.1248","0.1298","","","","","","1.086","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106518","35.754","0.005","10.8207","0.0015","27.295","0.004","90","","105.515","0.003","90","","10175","3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H40 Dy F9 N2 O6 -","- C56 H40 Dy F9 N2 O6 -","- C448 H320 Dy8 F72 N16 O48 -","8","1","","Dong-Ping Li; Xiao-Peng Zhang; Tian-Wei Wang; Bin-Bin Ma; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Distinct magnetic dynamic behavior for two polymorphs of the same Dy(III) complex","Chem.Commun.","2011","47","","6867","","10.1039/c1cc11659b","","","0.71073","MoKα","","0.0706","0.0511","","","0.1186","0.1269","","","","","","1.064","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106519","46.72","0.001","4.2924","0.0001","18.906","0.0007","90","","101.003","0.0015","90","","3721.74","0.18","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 O2 S2 -","- C26 H16 O2 S2 -","- C208 H128 O16 S16 -","8","1","","Lukas Zophel; Dirk Beckmann; Volker Enkelmann; Dennis Chercka; Ralph Rieger; Klaus Mullen","Asymmetric pyrene derivatives for organic field-effect transistors","Chem.Commun.","2011","47","","6960","","10.1039/c1cc11827g","","","0.71073","MoKα","","0.0631","0.0395","","0.0491","0.0464","0.0464","","","","","","1.0965","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106520","4.1977","0.0002","18.0487","0.0009","9.8546","0.0005","90","","93.489","0.003","90","","745.23","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H12 Br2 O2 -","- C18 H12 Br2 O2 -","- C36 H24 Br4 O4 -","2","1","","Lukas Zophel; Dirk Beckmann; Volker Enkelmann; Dennis Chercka; Ralph Rieger; Klaus Mullen","Asymmetric pyrene derivatives for organic field-effect transistors","Chem.Commun.","2011","47","","6960","","10.1039/c1cc11827g","","","0.71073","MoKα","","0.0692","0.0593","","0.075","0.0654","0.0654","","","","","","1.0493","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106521","15.6328","0.0004","12.5156","0.0003","20.7675","0.0006","90","","95.9799","0.0015","90","","4041.13","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 S2 -","- C26 H18 O2 S2 -","- C208 H144 O16 S16 -","8","2","","Lukas Zophel; Dirk Beckmann; Volker Enkelmann; Dennis Chercka; Ralph Rieger; Klaus Mullen","Asymmetric pyrene derivatives for organic field-effect transistors","Chem.Commun.","2011","47","","6960","","10.1039/c1cc11827g","","","0.71073","MoKα","","0.084","0.0577","","0.0832","0.069","0.069","","","","","","1.1842","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106522","11.165","0.007","11.531","0.007","17.445","0.011","72.33","0.009","90.064","0.01","83.002","0.01","2122","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H47 Ni O7 P S -","- C49 H47 Ni O7 P S -","- C98 H94 Ni2 O14 P2 S2 -","2","1","","Philippe Perrotin; Jenny S. J. McCahill; Guang Wu; Susannah L. Scott","Linear, High Molecular Weight Polyethylene from a Discrete, Mononuclear Phosphinoarenesulfonate Complex of Nickel(II)","Chem. Commun.","2011","47","","6948","","10.1039/c1cc00095k","","","0.71073","MoKα","","0.1002","0.0767","","","0.1855","0.1936","","","","","","2.054","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106523","12.848","0.004","11.461","0.004","22.104","0.007","90","","106.795","0.005","90","","3116","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Ni O5 P S -","- C35.002 H28 Ni O5 P S -","- C140.008 H112 Ni4 O20 P4 S4 -","4","1","","Philippe Perrotin; Jenny S. J. McCahill; Guang Wu; Susannah L. Scott","Linear, High Molecular Weight Polyethylene from a Discrete, Mononuclear Phosphinoarenesulfonate Complex of Nickel(II)","Chem. Commun.","2011","47","","6948","","10.1039/c1cc00095k","","","0.71073","MoKα","","0.0565","0.0455","","","0.1254","0.1313","","","","","","1.191","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106524","17.979","0.003","5.785","0.001","15.146","0.003","90","","104.285","0.003","90","","1526.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4,6-triisopropylbenzoato-O,O'-copper(i)","2,4,6-triisopropylbenzoato-O,O'-copper(I)","","- C16 H23 Cu O2 -","- C16 H23 Cu O2 -","- C64 H92 Cu4 O8 -","4","1","","Oleksandr Hietsoi; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Insulated copper(I) 'wires': structural variations and photoluminescence","Chem.Commun.","2011","47","","6939","","10.1039/c1cc11000d","","","0.71073","Mo-Kα","","0.0726","0.0609","","","0.1667","0.1756","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106525","34.687","0.003","10.2092","0.0008","8.5888","0.0007","90","","90","","90","","3041.5","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4,6-triisopropylbenzoato-O,O'-copper(I)","","- C16 H23 Cu O2 -","- C16 H23 Cu O2 -","- C128 H184 Cu8 O16 -","8","1","","Oleksandr Hietsoi; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Insulated copper(I) 'wires': structural variations and photoluminescence","Chem.Commun.","2011","47","","6939","","10.1039/c1cc11000d","","","0.71073","Mo-Kα","","0.0425","0.0375","","","0.0966","0.1003","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106526","8.4789","0.0009","11.463","0.0013","22.026","0.002","90","","92.125","0.002","90","","2139.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis-(2,4,6-triisopropylbenzoato-O,O')-dicopper(I,I) bis(dichlorobenzene)","","- C44 H54 Cl4 Cu2 O4 -","- C44 H54 Cl4 Cu2 O4 -","- C88 H108 Cl8 Cu4 O8 -","2","0.5","","Oleksandr Hietsoi; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Insulated copper(I) 'wires': structural variations and photoluminescence","Chem.Commun.","2011","47","","6939","","10.1039/c1cc11000d","","","0.71073","Mo-Kα","","0.0402","0.0341","","","0.0879","0.0919","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106527","7.847","0.003","9.339","0.003","11.335","0.004","94.552","0.006","99.047","0.006","112.924","0.005","746.5","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(2,4,6-triisopropyl)benzoic acid","","- C16 H24 O2 -","- C16 H24 O2 -","- C32 H48 O4 -","2","1","","Oleksandr Hietsoi; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina","Insulated copper(I) 'wires': structural variations and photoluminescence","Chem.Commun.","2011","47","","6939","","10.1039/c1cc11000d","","","0.71073","Mo-Kα","","0.0601","0.0507","","","0.1348","0.1436","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106528","12.219","0.003","16.005","0.004","24.834","0.006","90","","92.817","0.003","90","","4851","2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Eu N5 O20 -","- C45.994 H35 Eu N5 O20 -","- C183.976 H140 Eu4 N20 O80 -","4","1","","Jian-Ke Sun; Li-Xuan Cai; Yong-Juan Chen; Zhao-Hui Li; Jie Zhang","Reversible luminescence switch in a photochromic metal-organic framework","Chem.Commun.","2011","47","","6870","","10.1039/c1cc11550b","","","0.71073","MoKα","","0.0543","0.0427","","","0.1125","0.1223","","","","","","1.048","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106529","12.286","0.008","4.978","0.003","14.499","0.009","90","","106.853","0.008","90","","848.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Br O -","- C9 H9 Br O -","- C36 H36 Br4 O4 -","4","1","","Palash Pandit; Krishnanka S. Gayen; Saikat Khamarui; Nirbhik Chatterjee; Dilip K. Maiti","Addition of halide to p-bond directly from aqueous NaX solution: a general strategy for installation of two different functional groups","Chem.Commun.","2011","47","","6933","","10.1039/c1cc11685a","","","0.71073","MoKα","","0.0528","0.0342","","","0.1006","0.1183","","","","","","0.812","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106530","49.3119","0.0012","25.9637","0.0008","15.3295","0.0004","90","","94.763","0.001","90","","19558.9","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C101.75 H69.25 Cl3.75 N4 O15.5 -","- C101.75 H54.75 Cl3.75 N4 O15.5 -","- C814 H438 Cl30 N32 O124 -","8","1","","Rhys Short; Mariolino Carta; C. Grazia Bezzu; Detlev Fritsch; Benson Kariuki; Neil B. McKeown","Hexaphenylbenzene-based polymers of intrinsic microporosity","Chem. Commun.","2011","47","","6822","","10.1039/c1cc11717c","","","0.71073","MoKα","","0.1928","0.1494","","","0.3863","0.4199","","","","","","1.644","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106531","21.411","0.002","21.411","0.002","7.5217","0.0008","90","","90","","90","","3448.2","0.6","233","2","233","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C76 H48 Cl5 F20 N6 -","- C76 H44 Cl5 F20 N6 -","- C152 H88 Cl10 F40 N12 -","2","0.25","","Se-Young Kee; Jong Min Lim; Soo-Jin Kim; Jaeduk Yoo; Jung-Su Park; Tridib Sarma; Vincent M. Lynch; Pradeepta K. Panda; Jonathan L. Sessler; Dongho Kim; Chang-Hee Lee","Conformational and spectroscopic properties of p-extended, bipyrrole-fused rubyrin and sapphyrin derivatives","Chem.Commun.","2011","47","","6813","","10.1039/c1cc11733e","","","0.71075","MoKα","","0.0877","0.0526","","","0.1248","0.1409","","","","","","1.182","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106532","14.0622","0.0012","16.6074","0.0015","22.775","0.002","79.6784","0.0011","81.3389","0.0012","78.5042","0.0011","5091.2","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1","","","- C28 H38 N2 -","- C28 H38 N2 -","- C224 H304 N16 -","8","4","","S.M. Ibrahim Al-Rafia; Adam Malcolm; Sean Liew; Michael Ferguson; Robert McDonald; Eri Rivard","Intercepting low oxidation state main group hydrides with a nucleophilic N-hetereocyclic olefin","Chem. Commun.","2011","47","","6987","","10.1039/c1cc11737h","","","0.71073","MoKα","","0.1455","0.0647","","","0.1498","0.1921","","","","","","1.006","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106533","18.2204","0.0007","13.8439","0.0005","17.6027","0.0007","90","","118.094","0.0004","90","","3917","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2","","","- C36.5 H42 Cl2 N2 O5 Sn W -","- C36.5 H42 Cl2 N2 O5 Sn W -","- C146 H168 Cl8 N8 O20 Sn4 W4 -","4","1","","S.M. Ibrahim Al-Rafia; Adam Malcolm; Sean Liew; Michael Ferguson; Robert McDonald; Eri Rivard","Intercepting low oxidation state main group hydrides with a nucleophilic N-hetereocyclic olefin","Chem. Commun.","2011","47","","6987","","10.1039/c1cc11737h","","","0.71073","MoKα","","0.0374","0.03","","","0.0833","0.0921","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106534","24.2684","0.0011","11.1671","0.0005","13.238","0.0006","90","","90","","90","","3587.6","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","3","","","- C33 H38 Cl2 Ge N2 O5 W -","- C33 H38 Cl2 Ge N2 O5 W -","- C132 H152 Cl8 Ge4 N8 O20 W4 -","4","1","","S.M. Ibrahim Al-Rafia; Adam Malcolm; Sean Liew; Michael Ferguson; Robert McDonald; Eri Rivard","Intercepting low oxidation state main group hydrides with a nucleophilic N-hetereocyclic olefin","Chem. Commun.","2011","47","","6987","","10.1039/c1cc11737h","","","0.71073","MoKα","","0.0211","0.0203","","","0.0498","0.0501","","","","","","1.15","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106535","10.4","0.002","22.212","0.005","15.597","0.003","90","","91.626","0.003","90","","3601.5","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","","","- C33 H40 N2 O5 Sn W -","- C33 H40 N2 O5 Sn W -","- C132 H160 N8 O20 Sn4 W4 -","4","1","","S.M. Ibrahim Al-Rafia; Adam Malcolm; Sean Liew; Michael Ferguson; Robert McDonald; Eri Rivard","Intercepting low oxidation state main group hydrides with a nucleophilic N-hetereocyclic olefin","Chem. Commun.","2011","47","","6987","","10.1039/c1cc11737h","","","0.71073","MoKα","","0.0175","0.0156","","","0.0385","0.0394","","","","","","1.045","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106536","34.3772","0.0015","10.0524","0.0005","21.8558","0.001","90","","100.636","0.001","90","","7423","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5","","","- C35 H45 Ge N2 O5.5 W -","- C35 H45 Ge N2 O5.5 W -","- C280 H360 Ge8 N16 O44 W8 -","8","1","","S.M. Ibrahim Al-Rafia; Adam Malcolm; Sean Liew; Michael Ferguson; Robert McDonald; Eri Rivard","Intercepting low oxidation state main group hydrides with a nucleophilic N-hetereocyclic olefin","Chem. Commun.","2011","47","","6987","","10.1039/c1cc11737h","","","0.71073","MoKα","","0.0234","0.0196","","","0.0465","0.0491","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106537","37.854","0.003","11.231","0.001","6.767","0.001","90","","90.96","0.01","90","","2876.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H14.5 Er O10.25 -","- C9 H14 Er O10.25 -","- C72 H112 Er8 O82 -","8","1","","Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos","Photoreactive 3D microporous Lanthanide MOFs: Formation of a strained ladderane in a single crystal-to-single crystal manner","Chem.Commun.","2011","47","","7140","","10.1039/c0cc05547f","","","0.71073","MoKα","","0.0326","0.0307","","","0.088","0.0894","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106538","37.97","0.009","11.298","0.002","6.726","0.002","90","","91.17","0.02","90","","2884.8","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H14.5 O10.25 Y -","- C9 H14 O10.25 Y -","- C72 H112 O82 Y8 -","8","1","","Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos","Photoreactive 3D microporous Lanthanide MOFs: Formation of a strained ladderane in a single crystal-to-single crystal manner","Chem.Commun.","2011","47","","7140","","10.1039/c0cc05547f","","","0.71073","MoKα","","0.0974","0.0585","","","0.1571","0.1876","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106539","37.737","0.004","11.102","0.002","6.811","0.001","90","","91.06","0.01","90","","2853","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H14.5 Er O10.25 -","- C9 H2 Er O10.25 -","- C72 H16 Er8 O82 -","8","1","","Adonis Michaelides; Stavroula Skoulika; Michael G. Siskos","Photoreactive 3D microporous Lanthanide MOFs: Formation of a strained ladderane in a single crystal-to-single crystal manner","Chem.Commun.","2011","47","","7140","","10.1039/c0cc05547f","","","0.71073","MoKα","","0.0423","0.0384","","","0.1032","0.1054","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106540","12.1423","0.0016","17.3792","0.0016","17.4997","0.0016","102.334","0.005","108.05","0.005","94.584","0.005","3387.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","hexanuclear","","","- C57 H91 B2 Fe2 N23 Ni O5.5 -","- C57 H90 B2 Fe2 N23 Ni O5.5 -","- C114 H180 B4 Fe4 N46 Ni2 O11 -","2","1","","Yuan-Zhu Zhang; Uma P. Mallik; Rodolphe Clerac; Nigam P. Rath; Stephen M. Holmes","Irreversible solvent-driven conversion in cyanometalate {Fe2Ni}n (n = 2, 3) single-molecule magnets","Chem.Commun.","2011","47","","7194","","10.1039/c1cc10679a","","","0.71073","MoKα","","0.1006","0.0484","","","0.0948","0.1146","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106541","27.457","0.0016","17.2751","0.001","39.602","0.002","90","","95.747","0.003","90","","18689.7","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71.75 H117.5 B3 Fe3 N27 Ni1.5 O8.75 -","- C72.5 H93 B3 Fe3 N27 Ni1.5 O10.5 -","- C580 H744 B24 Fe24 N216 Ni12 O84 -","8","1","","Yuan-Zhu Zhang; Uma P. Mallik; Rodolphe Clerac; Nigam P. Rath; Stephen M. Holmes","Irreversible solvent-driven conversion in cyanometalate {Fe2Ni}n (n = 2, 3) single-molecule magnets","Chem.Commun.","2011","47","","7194","","10.1039/c1cc10679a","","","0.71073","MoKα","","0.0974","0.0733","","","0.1965","0.2172","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106542","10.851","0.003","12.613","0.003","14.996","0.003","90.595","0.002","104.238","0.004","106.35","0.004","1901.9","0.8","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H53 Cl2 N2 O3 P Ru -","- C37 H53 Cl2 N2 O3 P Ru -","- C74 H106 Cl4 N4 O6 P2 Ru2 -","2","1","","Thibault E. Schmid; Xavier Bantreil; Cecilia A. Citadelle; Alexandra M. Z. Slawin; Catherine S. J. Cazin","Phosphites as ligands in ruthenium-benzylidene catalysts for olefin metathesis","Chem.Commun.","2011","47","","7060","","10.1039/c1cc10825e","","","0.71073","MoKα","","0.0572","0.0527","","","0.1606","0.1674","","","","","","1.098","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106543","14.973","0.003","14.976","0.003","15.679","0.004","90","","99.436","0.006","90","","3468.2","1.3","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H47 Cl2 N2 O3 P Ru -","- C34 H47 Cl2 N2 O3 P Ru -","- C136 H188 Cl8 N8 O12 P4 Ru4 -","4","1","","Thibault E. Schmid; Xavier Bantreil; Cecilia A. Citadelle; Alexandra M. Z. Slawin; Catherine S. J. Cazin","Phosphites as ligands in ruthenium-benzylidene catalysts for olefin metathesis","Chem.Commun.","2011","47","","7060","","10.1039/c1cc10825e","","","0.71073","MoKα","","0.0569","0.0461","","","0.1112","0.1196","","","","","","1.053","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106544","21.4062","0.0018","15.2138","0.0013","26.813","0.004","90","","112.016","0.005","90","","8095.4","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C94 H104 N10 O8 -","- C94 H104 N10 O8 -","- C376 H416 N40 O32 -","4","0.5","","Jung-Jae Lee; Jeffrey M. Baumes; Richard D. Connell; Allen G. Oliver; Bradley D. Smith","Squaraine [2]Catenanes: synthesis, structure and molecular dynamics","Chem.Commun.","2011","47","","7188","","10.1039/c1cc10946d","","","0.71073","MoKα","","0.1565","0.0758","","","0.1827","0.2262","","","","","","1.023","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106545","9.3915","0.0006","12.773","0.0008","23.7777","0.0015","90","","90","","90","","2852.3","0.3","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N5 O6 -","- C31 H29 N5 O6 -","- C124 H116 N20 O24 -","4","1","","Christophe Lincheneau; Joseph P. Leonard; Thomas McCabe; Thorfinnur Gunnlaugsson","Lanthanide directed self-assembly formations of Tb(III) and Eu(III) luminescent complexes from tryptophan based pyridyl amide ligands","Chem.Commun.","2011","47","","7119","","10.1039/c1cc11326g","","","0.71073","MoKα","","0.0727","0.0361","","","0.0596","0.0651","","","","","","0.774","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106546","9.3996","0.0006","12.772","0.0009","23.7627","0.0016","90","","90","","90","","2852.8","0.3","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N5 O6 -","- C31 H29 N5 O6 -","- C124 H116 N20 O24 -","4","1","","Christophe Lincheneau; Joseph P. Leonard; Thomas McCabe; Thorfinnur Gunnlaugsson","Lanthanide directed self-assembly formations of Tb(III) and Eu(III) luminescent complexes from tryptophan based pyridyl amide ligands","Chem.Commun.","2011","47","","7119","","10.1039/c1cc11326g","","","0.71073","MoKα","","0.0621","0.0417","","","0.0865","0.1071","","","","","","0.945","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106547","7.1258","0.0002","14.8941","0.0005","13.4114","0.0005","90","","92.103","0.002","90","","1422.43","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C56 H60 N12 O12 S4 -","4","1","","Norman Lu; Wei-Hsuan Chang; Wen-Han Tu; Chieh-Keng Li","A salt made of 4-N,N-dimethylaminopyridine (DMAP) and saccharin as an efficient recyclable acylation catalyst: a new bridge between heterogeneous and homogeneous catalysis","Chem.Commun.","2011","47","","7227","","10.1039/c1cc11556a","","","0.71073","MoKα","","0.1","0.0924","","","0.2651","0.2724","","","","","","1.181","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106548","9.1245","0.0005","10.4518","0.0005","24.8224","0.0011","90","","90","","90","","2367.2","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5H-Dibenz(b,f)azepine-5-carboxamide","5H-Dibenz(b,f)azepine-5-carboxamide","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","","Jean-Baptiste Arlin; Louise S. Price; Sarah L. Price; Alastair J. Florence","A strategy for producing predicted polymorphs: catemeric carbamazepine form V","Chem.Commun.","2011","47","","7074","","10.1039/c1cc11634g","","","1.5418","CuKα","","0.0872","0.045","","","0.0924","0.1018","","","","","","0.824","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106549","7.334","0.0016","15.551","0.003","10.017","0.002","90","","91.958","0.005","90","","1141.8","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F6 Fe -","- C14 H8 F6 Fe -","- C56 H32 F24 Fe4 -","4","1","","Max Roemer; Dieter Lentz","Autocatalytic Formation of Fluorinated Ferrocenophanes from 1,1'-Bis(trifluorovinyl)ferrocene","Chem. Commun.","2011","47","","7239","","10.1039/c1cc11812a","","","0.71073","MoKα","","0.0541","0.0387","","","0.0864","0.0938","","","","","","1.099","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106550","12.0292","0.0004","12.0292","0.0003","32.9777","0.0007","90","","90","","120","","4132.61","0.19","233","2","233","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H90 I10 Na4 O15 S15 -","- C30 H90 I10 Na4 O15 S15 -","- C60 H180 I20 Na8 O30 S30 -","2","0.166667","","Alvaro Duarte-Ruiz; Nelson Nunez-Dallos; Luis Garzon-Tovar; Klaus Wurst; Eliseo Avella-Moreno; Fernando Gomez-Baquero","Synthesis and structure of [Na4(DMSO)15][(I3)3(I)]. Self-assembly of hexacoordinated sodium","Chem.Commun.","2011","47","","7110","","10.1039/c1cc11898f","","","0.71073","MoKα","","0.0548","0.0352","","","0.0833","0.0902","","","","","","1.081","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106551","46.15","0.004","46.15","0.004","46.15","0.004","90","","90","","90","","98291","15","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C540 H840 Cu24 N108 O180 -","- C252 Cu24 N36 O108 -","- C1008 Cu96 N144 O432 -","4","0.0208333","","Hai-Ning Wang; Xing Meng; Guang-Sheng Yang; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Chun-Gang Wang","Stepwise Assembly of Metal-Organic Framework Based on a Metal-Organic Polyhedron Precursor for Drug Delivery","Chem.Commun.","2011","47","","7128","","10.1039/c1cc11932j","","","0.71073","MoKα","","0.1834","0.0963","","","0.2644","0.3093","","","","","","1.045","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106552","17.203","0.005","17.778","0.005","24.873","0.005","88.392","0.005","70.931","0.005","68.14","0.005","6635","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C140.63 H161.97 F6 N9 Ni2 O6.09 -","- C140.627 H161.992 F6 N9 Ni2 O6.096 -","- C281.254 H323.984 F12 N18 Ni4 O12.192 -","2","1","","Satoru Hiroto; Katsuya Suzuki; Hiroki Kamiya; Hiroshi Shinokubo","Synthetic protocol for diarylethenes through Suzuki-Miyaura coupling","Chem.Commun.","2011","47","","7149","","10.1039/c1cc12020d","","","0.71069","MoKα","","0.1146","0.0909","","","0.2512","0.2749","","","","","","1.061","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106553","12.6447","0.0012","21.628","0.002","15.6491","0.0015","90","","103.716","0.006","90","","4157.7","0.7","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Br N2 O2 Pd -","- C20 H27 Br N2 O2 Pd -","- C160 H216 Br8 N16 O16 Pd8 -","8","2","","Alejandro Bugarin; Brian T. Connell","A highly active and selective palladium pincer catalyst for the formation of ?-aryl ketones via cross-coupling","Chem.Commun.","2011","47","","7218","","10.1039/c1cc12071a","","","1.54178","CuKα","","0.0364","0.0311","","","0.069","0.0707","","","","","","1.004","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106554","8.1916","0.001","12.7099","0.0016","16.097","0.002","90","","97.767","0.002","90","","1660.6","0.4","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(6,6-bis(trifluoromethylsulfonyl)cyclohex-2-enyl)acetate","","- C12 H14 F6 O6 S2 -","- C12 H14 F6 O6 S2 -","- C48 H56 F24 O24 S8 -","4","1","","Hikaru Yanai; Masaya Fujita; Takeo Taguchi","A regioselective synthesis of poly-substituted aryl triflones through self-promoting three component reaction","Chem.Commun.","2011","47","","7245","","10.1039/c1cc12093j","","","0.71073","MoKα","","0.0385","0.0317","","","0.0757","0.0798","","","","","","1","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106555","9.9758","0.0002","10.0579","0.0002","31.5743","0.0007","90.3395","0.0011","97.4097","0.0011","97.2664","0.0012","3115.54","0.11","250","2","250","2","","","","","","","The complex Fe12a(C16)(MeOH)2 and pyridine were heated to reflux in methanol for six hours. After cooling and H2O diffunding into the solution, black crystals of [Fe12a(C16)(Py)2] were obtained within 50 days.","5","P -1","-P 1","2","[Fe12a(C16)(Py)2](250)","","","- C62 H96 Fe N4 O8 -","- C62 H96 Fe N4 O8 -","- C124 H192 Fe2 N8 O16 -","2","1","","Stephan Schlamp; Birgit Weber; Anil D. Naik; Yann Garcia","Cooperative spin transition in a lipid layer like system","Chem.Commun.","2011","47","","7152","","10.1039/c1cc12162f","","","0.71073","MoKα","","0.212","0.0703","","","0.1554","0.2016","","","","","","0.993","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106556","9.091","0.0003","9.918","0.0003","34.352","0.0011","90.0897","0.0019","93.55","0.002","101.84","0.0015","3025.29","0.17","125","2","125","2","","","","","","","","5","P -1","-P 1","2","[Fe12a(C16)(Py)2](125)","","","- C62 H96 Fe N4 O8 -","- C62 H96 Fe N4 O8 -","- C124 H192 Fe2 N8 O16 -","2","1","","Stephan Schlamp; Birgit Weber; Anil D. Naik; Yann Garcia","Cooperative spin transition in a lipid layer like system","Chem.Commun.","2011","47","","7152","","10.1039/c1cc12162f","","","0.71073","MoKα","","0.1114","0.0594","","","0.126","0.1485","","","","","","1.033","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106557","13.1815","0.001","22.4798","0.0017","15.222","0.0011","90","","106.388","0.001","90","","4327.3","0.6","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H63 Cl Ge N4 Si -","- C44 H63 Cl Ge N4 Si -","- C176 H252 Cl4 Ge4 N16 Si4 -","4","1","","Sankaranarayana Pillai Sarish; Sakya S. Sen; Herbert W. Roesky; Ina Objartel; Dietmar Stalke","Elegant approach to spacer arranged silagermylene and bis(germylene) compounds","Chem.Commun.","2011","47","","7206","","10.1039/c1cc12205c","","","0.71073","MoKα","","0.0453","0.0318","","","0.0673","0.0722","","","","","","1.047","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106558","13.207","0.002","22.515","0.003","15.273","0.002","90","","106.601","0.002","90","","4352.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H63 Cl Ge2 N4 -","- C44 H63 Cl Ge2 N4 -","- C176 H252 Cl4 Ge8 N16 -","4","1","","Sankaranarayana Pillai Sarish; Sakya S. Sen; Herbert W. Roesky; Ina Objartel; Dietmar Stalke","Elegant approach to spacer arranged silagermylene and bis(germylene) compounds","Chem.Commun.","2011","47","","7206","","10.1039/c1cc12205c","","","0.71073","MoKα","","0.0459","0.0325","","","0.0642","0.069","","","","","","1.038","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106559","21.222","0.019","17.716","0.016","14.376","0.013","90","","127.821","0.009","90","","4270","7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C21 H25 N4 O10 Zn2 -","- C21 H16 N4 O10 Zn2 -","- C84 H64 N16 O40 Zn8 -","4","0.5","","Yun Ling,; Zhen-Xia Chen; Fu-Peng Zhai; Ya-Ming Zhou; Lin-Hong Weng; Dong-Yuan Zhao","A zinc(II) metal-organic framework based on triazole and dicarboxylate ligands for selective adsorption of hexane isomers","Chem.Commun.","2011","47","","7197","","10.1039/c1cc12253c","","","0.71073","MoKα","","0.1251","0.0816","","","0.2263","0.2674","","","","","","1.08","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106560","12.5221","0.0005","13.2875","0.0007","15.2441","0.0006","90","","108.418","0.003","90","","2406.5","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Co N6 Se2 -","- C22 H20 Co N6 Se2 -","- C88 H80 Co4 N24 Se8 -","4","0.5","","Jan Boeckmann; Christian Nather","Rational route to SCM materials based on 1-D cobalt selenocyanato coordination polymer","Chem. Commun.","2011","47","","7104","","10.1039/c1cc12273h","","","0.71073","MoKα","","0.0753","0.0592","","","0.113","0.1183","","","","","","1.237","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106561","8.0268","0.0005","8.9535","0.0006","16.5775","0.0015","95.856","0.003","97.077","0.004","112.65","0.004","1076.5","0.14","293","","293","","","","","","","","","5","P -1","-P 1","2","","catena-poly-[bis(u2-selenocyanato-k2N:S)-bis(pyridine-kN)cobalt(II)]","","- C12 H10 Co N4 Se2 -","- C12 Co N4 Se2 -","- C36 Co3 N12 Se6 -","3","1.5","","Jan Boeckmann; Christian Nather","Rational route to SCM materials based on 1-D cobalt selenocyanato coordination polymer","Chem. Commun.","2011","47","","7104","","10.1039/c1cc12273h","powder diffraction","","1.54056","CuKα","","","","","","","","","6.7157","","","","","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106562","13.2664","0.0005","38.8979","0.0015","20.6041","0.0008","90","","102.919","0.001","90","","10363.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C83H66F42N31Ag7","","","- C83 H66 Ag7 F42 N31 -","- C83 H66 Ag7 F42 N31 -","- C332 H264 Ag28 F168 N124 -","4","1","","Chi Yang; Oussama Elbjeirami; Chammi S. Palehepitiya Gamage; H. V. Rasika Dias; Mohammad A. Omary","Luminescence enhancement and tuning via multiple cooperative supramolecular interactions in an ion-paired multinuclear complex","Chem.Commun.","2011","47","","7434","","10.1039/c1cc11161b","","","0.71073","MoKα","","0.0546","0.0424","","","0.0916","0.1134","","","","","","1.179","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106563","9.9019","0.0007","46.048","0.003","10.1448","0.0008","90","","92.684","0.002","90","","4620.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 F12 O2 P4 -","- C52 H40 F12 O2 P4 -","- C208 H160 F48 O8 P16 -","4","1","","Priyadip Das; Amal K. Mandal; Manoj K. Kesharwani; Eringathodi, Suresh; Bishwajit Ganguly; Amitava Das","Receptor Design and Extraction of Inorganic Fluoride Ion From Aqueous Medium","Chem. Commun.","2011","47","","7398","","10.1039/c1cc11458a","","","0.71073","MoKα","","0.2328","0.178","","","0.2998","0.325","","","","","","1.214","","","","has coordinates","288192","2023-12-08","16:54:44",""
"7106564","10.847","0.0013","19.606","0.002","13.78","0.002","90","","97.028","0.001","90","","2908.5","0.6","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Ar'Ga{CH2CH(CH3)}2GaAr'","","","- C66 H86 Ga2 -","- C66 H86 Ga2 -","- C132 H172 Ga4 -","2","0.5","","Christine A. Caputo; Zhongliang Zhu; Zachary D. Brown; James C. Fettinger; Philip P. Power; 'Philip Power","Activation of olefins with low-valent gallium compounds under ambient conditions","Chem.Commun.","2011","47","","7506","","10.1039/c1cc11676b","","","0.71073","MoKα","","0.0632","0.0564","","","0.1419","0.1468","","","","","","1.097","","","","has coordinates,has disorder","180169","2020-10-21","18:00:00",""
"7106565","11.216","0.007","11.335","0.007","24.561","0.015","90","","94.241","0.011","90","","3114","3","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Ar'Ga{CH2CH(Ph)}2GaAr'","","","- C76 H90 Ga2 -","- C76 H90 Ga2 -","- C152 H180 Ga4 -","2","0.5","","Christine A. Caputo; Zhongliang Zhu; Zachary D. Brown; James C. Fettinger; Philip P. Power; 'Philip Power","Activation of olefins with low-valent gallium compounds under ambient conditions","Chem.Commun.","2011","47","","7506","","10.1039/c1cc11676b","","","1.54178","CuKα","","0.0467","0.043","","","0.114","0.1184","","","","","","1.052","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106566","13.9322","0.001","10.4139","0.0008","39.129","0.003","90","","98.865","0.001","90","","5609.4","0.7","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Ar'Ga(CH2CH2)2GaAr'","","","- C64 H82 Ga2 -","- C64 H82 Ga2 -","- C256 H328 Ga8 -","4","1","","Christine A. Caputo; Zhongliang Zhu; Zachary D. Brown; James C. Fettinger; Philip P. Power; 'Philip Power","Activation of olefins with low-valent gallium compounds under ambient conditions","Chem.Commun.","2011","47","","7506","","10.1039/c1cc11676b","","","0.71073","MoKα","","0.1002","0.0618","","","0.1452","0.165","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106567","16.7164","0.0003","16.7164","0.0003","51.487","0.002","90","","90","","120","","12459.9","0.6","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10.66 Bi N2 O9.83 -","- C14 H6 Bi N2 O9.83267 -","- C252 H108 Bi18 N36 O176.988 -","18","0.5","","Arief C. Wibowo; Mark D. Smith; Hans-Conrad zur Loye","New kagome lattice coordination polymer based on bismuth and pyridine-2,5-dicarboxylate: structure and photoluminescent properties","Chem.Commun.","2011","47","","7371","","10.1039/c1cc11720c","","","0.71073","MoKα","","0.0459","0.0382","","","0.1206","0.1277","","","","","","1.134","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106568","10.9288","0.0004","10.9288","0.0004","56.2966","0.0017","90","","90","","90","","6724","0.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H18.59 N2 O8 Zn2 -","- C28 H18.59 N2 O8 Zn2 -","- C224 H148.72 N16 O64 Zn16 -","8","1","","Deyun Ma; Yingwei Li; Zhong Li","Tuning the moisture stability of metal-organic frameworks by incorporating hydrophobic functional groups at different positions of ligands","Chem.Commun.","2011","47","","7377","","10.1039/c1cc11752a","","","0.71073","MoKα","","0.057","0.0518","","","0.1726","0.1759","","","","","","1.073","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7106569","10.925","0.002","10.946","0.002","13.972","0.003","95.2","0.03","99.23","0.03","99.89","0.03","1612.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O8 Zn2 -","- C28 H20 N2 O8 Zn2 -","- C56 H40 N4 O16 Zn4 -","2","1","","Ma, Deyun; Li, Yingwei; Li, Zhong","Tuning the moisture stability of metal-organic frameworks by incorporating hydrophobic functional groups at different positions of ligands","Chemical Communications (Cambridge, United Kingdom)","2011","47","26","7377","7379","10.1039/c1cc11752a","","","0.71073","MoKα","","0.1354","0.0759","","","0.1807","0.2137","","","","","","0.941","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7106570","11.978","0.002","14.054","0.003","18.062","0.004","90","","108.83","0.03","90","","2877.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H42 Ag3 Cl2 N18 O15 -","- C45 H42 Ag3 Cl2 N18 O15 -","- C90 H84 Ag6 Cl4 N36 O30 -","2","0.5","","Jin Jin; Weiyin Wang; Yanhua Liu; Hongwei Hou; Yaoting Fan","A precise hexagonal octadecanuclear Ag macrocycle with significant luminescent properties","Chem.Commun.","2011","47","","7461","","10.1039/c1cc12142a","","","0.71073","MoKα","","0.1005","0.0923","","","0.2581","0.268","","","","","","1.178","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106571","26.362","0.004","26.362","0.004","17.809","0.004","90","","90","","120","","10718","3","113","2","113","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C72 H84 Ag6 N42 O28 -","- C72 H86 Ag6 N42 O28 -","- C216 H258 Ag18 N126 O84 -","3","0.25","","Jin Jin; Weiyin Wang; Yanhua Liu; Hongwei Hou; Yaoting Fan","A precise hexagonal octadecanuclear Ag macrocycle with significant luminescent properties","Chem.Commun.","2011","47","","7461","","10.1039/c1cc12142a","","","0.71073","MoKα","","0.1077","0.0991","","","0.2942","0.3036","","","","","","1.023","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106572","36.6111","0.0005","36.6111","0.0005","36.6111","0.0005","90","","90","","90","","49072.5","1.2","130","2","130","1","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C180 H438 Cu6 I2 N6 Na8 O102 -","- C88 H48 Cu6 I2 Na7.92 O61.92 -","- C704 H384 Cu48 I16 Na63.36 O495.36 -","8","0.0416667","","Brendan F. Abrahams; Berin A. Boughton; Nicholas J. FitzGerald; Jessica L. Holmes; Richard Robson","A highly symmetric diamond-like assembly of cyclocatechylene-based tetrahedral cages","Chem.Commun.","2011","47","","7404","","10.1039/c1cc12723c","","","1.54184","CuKα","","0.1484","0.1279","","","0.3693","0.4008","","","","","","1.53","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106573","12.71226","0.00038","9.9961","0.0003","7.62678","0.00023","90","","90","","90","","969.16","0.05","300","","300","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C6 I Mn N4 O -","- C6 I Mn N4 O -","- C24 I4 Mn4 N16 O4 -","4","0.5","","Saul H. Lapidus; Amber C. McConnell; Peter W. Stephens; Joel S. Miller","Structure and magnetic ordering of a 2-D MnII(TCNE)I(OH2) (TCNE = tetracyanoethylene) organic-based magnet (Tc = 171 K)","Chem.Commun.","2011","47","","7602","","10.1039/c1cc10478k","powder diffraction","","0.699942","synchrotron","","","","","","","","","","1.289","","","","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106574","8.9568","0.0018","10.087","0.002","10.1225","0.0019","78.209","0.009","73.265","0.008","79.154","0.009","849.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N2 O4 Zn -","- C18 H12 N2 O4 Zn -","- C36 H24 N4 O8 Zn2 -","2","1","","Yuh Hijikata; Satoshi Horike; Daisuke Tanaka; Juergen Groll; Motohiro Mizuno; Jungeun Kim; Masaki Takata; Susumu Kitagawa","Differences of crystal structure and dynamics between a soft porous nanocrystal and a bulk crystal","Chem.Commun.","2011","47","","7632","","10.1039/c1cc10983a","","","0.71075","MoKα","","0.038","0.0322","","","0.0781","0.0817","","","","","","1.007","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106575","7.567","0.003","10.377","0.003","35.89","0.013","90","","90","","90","","2818.2","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 N3 O6 -","- C29 H43 N3 O6 -","- C116 H172 N12 O24 -","4","1","","Weina Li; Xuesong Li; Wei Zhu; Changxu Li; Dan Xu; Yong Ju; Guangtao Li","Topochemical approach to efficiently produce main-chain poly(bile acid)s with high molecular weights and adaptive responsive behavior","Chem.Commun.","2011","47","","7728","","10.1039/c1cc11445j","","","0.71073","MoKα","","0.0826","0.0527","","","0.1095","0.1224","","","","","","1.053","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106576","7.597","0.0013","10.1544","0.0013","36.149","0.006","90","","90","","90","","2788.6","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 N3 O5 -","- C29 H43 N3 O5 -","- C116 H172 N12 O20 -","4","1","","Weina Li; Xuesong Li; Wei Zhu; Changxu Li; Dan Xu; Yong Ju; Guangtao Li","Topochemical approach to efficiently produce main-chain poly(bile acid)s with high molecular weights and adaptive responsive behavior","Chem.Commun.","2011","47","","7728","","10.1039/c1cc11445j","","","0.71073","MoKα","","0.0465","0.0388","","","0.0829","0.0866","","","","","","1.048","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106577","7.6587","0.0013","9.9078","0.0013","36.42","0.008","90","","90","","90","","2763.6","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 N3 O4 -","- C29 H43 N3 O4 -","- C116 H172 N12 O16 -","4","1","","Weina Li; Xuesong Li; Wei Zhu; Changxu Li; Dan Xu; Yong Ju; Guangtao Li","Topochemical approach to efficiently produce main-chain poly(bile acid)s with high molecular weights and adaptive responsive behavior","Chem.Commun.","2011","47","","7728","","10.1039/c1cc11445j","","","0.71073","MoKα","","0.1103","0.0628","","","0.1159","0.1338","","","","","","1.044","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106578","11.1056","0.0003","13.1727","0.0004","14.9965","0.0004","83.666","0.001","78.926","0.001","65.226","0.001","1953.76","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 O6 P2 Ru S2 -","- C39 H44 O11 P2 Ru S2 -","- C78 H88 O22 P4 Ru2 S4 -","2","1","","Laurence Piche; Jean-Christophe Daigle; Jerome Claverie","A ruthenium catalyst yielding crosslinked polyethylene","Chem.Commun.","2011","47","","7836","","10.1039/c1cc11677k","","","1.54178","CuKα","","0.0314","0.0307","","","0.0857","0.0862","","","","","","1.022","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106579","8.7601","0.0004","9.2147","0.0004","11.7775","0.0005","73.193","0.004","77.419","0.004","73.757","0.007","864.01","0.07","293","2","293","2","","","","","","","synthesis","3","P -1","-P 1","2","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C48 H36 O4 -","2","1","","Estefania Piedra; Javier Francos; Noel Nebra; Francisco J. Suarez; Josefina Diez; Victorio Cadierno","Access to unusual polycyclic spiro enones from 2,2'-bis(allyloxy)-1,1'-binaphthyls using Grubbs' catalysts: An unprecedented one-pot RCM/Claisen sequence","Chem.Commun.","2011","47","","7866","","10.1039/c1cc11907a","","","1.5418","CuKα","","0.0662","0.0541","","","0.1534","0.1569","","","","","","1.127","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106580","15.3425","0.0002","34.4213","0.0004","14.4598","0.0001","90","","100.798","0.001","90","","7501.14","0.14","100","2","100","2","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C100 H80 O10 -","- C100 H80 O10 -","- C400 H320 O40 -","4","1","","Estefania Piedra; Javier Francos; Noel Nebra; Francisco J. Suarez; Josefina Diez; Victorio Cadierno","Access to unusual polycyclic spiro enones from 2,2'-bis(allyloxy)-1,1'-binaphthyls using Grubbs' catalysts: An unprecedented one-pot RCM/Claisen sequence","Chem.Commun.","2011","47","","7866","","10.1039/c1cc11907a","","","1.5418","CuKα","","0.1006","0.0742","","","0.2149","0.2352","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106581","31.105","0.002","31.105","0.002","31.105","0.002","90","","90","","90","","30095","3","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C25 H9 Cu2 N O9 -","- C25 H9 Cu2 N O9 -","- C600 H216 Cu48 N24 O216 -","24","0.25","","Peng Zhang; Bao Li; Ying Zhao; Xianggao Meng; Tianle Zhang","A novel (3,36)-connected and self-interpenetrated metal-organic framework with high thermal stability and gas-sorption capabilities","Chem.Commun.","2011","47","","7722","","10.1039/c1cc11996f","","","0.71073","MoKα","","0.1004","0.0841","","","0.2162","0.2265","","","","","","1.06","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106582","10.6011","0.0007","20.9725","0.0015","11.2587","0.0008","90","","91.612","0.001","90","","2502.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H65 Cl4 N6 O6 S -","- C42 H65 Cl4 N6 O6 S -","- C84 H130 Cl8 N12 O12 S2 -","2","0.5","","Christopher J. Borman; Radu Custelcean; Ben P. Hay; Nathan L. Bill; Jonathan L. Sessler; Bruce A. Moyer","Supramolecular Organization of Calix[4]pyrrole with a Methyl-trialkylammonium Anion Exchanger Leads to Remarkable Reversal of Selectivity for Sulfate Extraction vs Nitrate","Chem. Commun.","2011","47","","7611","","10.1039/c1cc12060c","","","0.71073","MoKα","","0.1829","0.1469","","","0.41","0.4435","","","","","","1.684","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106583","16.7059","0.0006","12.6255","0.0005","13.7625","0.0004","90","","101.603","0.002","90","","2843.47","0.17","120","2","120","2","","","","","","","Jose Giner Planas","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B10 N -","- C32 H30 B10 N -","- C128 H120 B40 N4 -","4","1","","Gregory Pieters; Anne Gaucher; Damien Prim; Thierry Besson; Jose Giner Planas; Francesc Teixidor; Clara Vinas; Mark E Light; Michael B. Hursthouse","Binaphthyl platform as starting materials for the preparation of electron rich benzo[g,h,i]perylenes. Application to molecular architectures based on amino benzo[g,h,i]perylenes and carborane combinations","Chem.Commun.","2011","47","","7725","","10.1039/c1cc12099a","","","0.71073","MoKα","","0.0956","0.0667","","","0.1605","0.1787","","","","","","1.032","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106584","23.2747","0.0019","7.5775","0.0005","16.5826","0.0012","90","","100.139","0.002","90","","2878.9","0.4","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C50 H46 Cl2 F6 N6 O14 Si Zn -","- C50 H46 Cl2 F6 N6 O14 Si Zn -","- C100 H92 Cl4 F12 N12 O28 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0917","0.0771","","","0.1466","0.1509","","","","","","1.254","","","","has coordinates,has disorder","210887","2020-10-21","18:00:00",""
"7106585","20.7481","0.0011","7.6446","0.0004","14.9105","0.0007","90","","107.187","0.003","90","","2259.4","0.2","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H36 F6 N4 O8 Si Zn -","- C36 H36 F6 N4 O8 Si Zn -","- C72 H72 F12 N8 O16 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.1327","0.1045","","","0.2564","0.2976","","","","","","1.122","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106586","7.6698","0.0004","21.0303","0.0011","28.3731","0.0011","90","","90","","90","","4576.5","0.4","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H36 F6 N4 O8 Si Zn -","- C36 H36 F6 N4 O8 Si Zn -","- C144 H144 F24 N16 O32 Si4 Zn4 -","4","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.1319","0.1025","","","0.2626","0.3649","","","","","","1.212","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106587","20.8352","0.0008","7.6558","0.0003","14.9174","0.0005","90","","107.298","0.002","90","","2271.86","0.15","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H36 F6 N4 O8 Si Zn -","- C36 H36 F6 N4 O8 Si Zn -","- C72 H72 F12 N8 O16 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0842","0.0792","","","0.2235","0.2313","","","","","","1.062","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106588","7.6731","0.0005","21.0006","0.0013","28.3703","0.0019","90","","90","","90","","4571.6","0.5","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H36 F6 N4 O8 Si Zn -","- C36 H36 F6 N4 O8 Si Zn -","- C144 H144 F24 N16 O32 Si4 Zn4 -","4","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.1441","0.1145","","","0.2374","0.2638","","","","","","1.265","","","","has coordinates,has disorder","210887","2020-10-21","18:00:00",""
"7106589","23.2828","0.0004","7.5988","0.0001","16.6091","0.0003","90","","100.165","0.001","90","","2892.38","0.08","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C50 H46 Cl2 F6 N6 O14 Si Zn -","- C50 H46 Cl2 F6 N6 O14 Si Zn -","- C100 H92 Cl4 F12 N12 O28 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0473","0.0411","","","0.114","0.1176","","","","","","1.023","","","","has coordinates,has disorder","210887","2020-10-21","18:00:00",""
"7106590","24.0625","0.0016","7.6315","0.0004","16.3387","0.001","90","","99.928","0.003","90","","2955.4","0.3","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C49 H46 F6 N6 O15 Si Zn -","- C49 H45 F6 N6 O15 Si Zn -","- C98 H90 F12 N12 O30 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0625","0.0542","","","0.1541","0.1602","","","","","","1.028","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106591","23.3869","0.0007","7.6246","0.0003","16.5705","0.0006","90","","100.067","0.002","90","","2909.29","0.18","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C44 H30 F6 N6 O12 Si Zn -","- C44 H30 F6 N6 O12 Si Zn -","- C88 H60 F12 N12 O24 Si2 Zn2 -","2","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.0994","0.0678","","","0.17","0.1874","","","","","","1.026","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106592","11.3456","0.0004","11.9555","0.0005","12.1699","0.0005","83.226","0.001","64.752","0.001","78.139","0.001","1460.32","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 N O10 S -","- C29 H31 N O10 S -","- C58 H62 N2 O20 S2 -","2","1","","Xingxing Wu; Lei Li; Junliang Zhang","Nickel(II)-catalyzed diastereoselective [3+2] cycloaddition of N-tosyl-aziridines and aldehydes via selective carbon-carbon bond cleavage","Chem.Commun.","2011","47","","7824","","10.1039/c1cc12189h","","","0.71073","MoKα","","0.0402","0.0347","","","0.0897","0.0941","","","","","","1.04","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106593","10.7374","0.0007","15.9467","0.001","16.1973","0.0012","90","","92.138","0.005","90","","2771.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 B10 Cl N2 Pt -","- C25 H27 B10 Cl N2 Pt -","- C100 H108 B40 Cl4 N8 Pt4 -","4","1","","Anton M. Prokhorov; Pavel A. Slepukhin; Vladimir L. Rusinov; Valery N. Kalinin; Dmitry N. Kozhevnikov","2,2'-Bipyridinyl carboranes as B,N,N-ligands in cyclometallated complexes of platinum(II)","Chem.Commun.","2011","47","","7713","","10.1039/c1cc12230d","","","0.71073","MoKα","","0.1099","0.0393","","","0.054","0.0698","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106594","17.4108","0.0004","16.0201","0.0009","21.0923","0.0012","90","","90","","90","","5883.1","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H27 B10 Br N2 Pt -","- C27 H27 B10 Br N2 Pt -","- C216 H216 B80 Br8 N16 Pt8 -","8","1","","Anton M. Prokhorov; Pavel A. Slepukhin; Vladimir L. Rusinov; Valery N. Kalinin; Dmitry N. Kozhevnikov","2,2'-Bipyridinyl carboranes as B,N,N-ligands in cyclometallated complexes of platinum(II)","Chem.Commun.","2011","47","","7713","","10.1039/c1cc12230d","","","0.71073","MoKα","","0.0689","0.0255","","","0.0359","0.0373","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106595","16.263","0.004","16.5","0.004","17.299","0.004","97.217","0.001","113.906","0.004","115.008","0.001","3590.4","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H164 Dy7 N4 O42 -","- C154 H164 Dy7 N4 O42 -","- C154 H164 Dy7 N4 O42 -","1","0.5","","Joseph W. Sharples; Yan-Zhen Zheng; Floriana Tuna; Eric J. L. McInnes; David Collison","Lanthanide discs chill well and relax slowly","Chem.Commun.","2011","47","","7650","","10.1039/c1cc12252e","","","0.71073","MoKα","","0.0877","0.0725","","","0.1952","0.2585","","","","","","1.138","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106596","16.1991","0.0008","16.3943","0.0008","17.2829","0.0009","97.223","0.001","113.899","0.001","114.972","0.001","3551.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H164 Gd7 N4 O42 -","- C154 H164 Gd7 N4 O42 -","- C154 H164 Gd7 N4 O42 -","1","0.5","","Joseph W. Sharples; Yan-Zhen Zheng; Floriana Tuna; Eric J. L. McInnes; David Collison","Lanthanide discs chill well and relax slowly","Chem.Commun.","2011","47","","7650","","10.1039/c1cc12252e","","","0.71073","MoKα","","0.1263","0.1013","","","0.2174","0.2293","","","","","","1.184","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106597","8.0493","0.0005","8.0493","0.0005","54.9","0.005","90","","90","","90","","3557","0.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C168 H128 Br8 N8 O16 -","8","1","","Kai Gao; Chang-Bin Yu; Wei Li; Yong-Gui Zhou; Xumu Zhang","Synthesis and enantioselective hydrogenation of seven-membered cyclic imines: substituted dibenzo[b,f][1,4]oxazepines","Chem.Commun.","2011","47","","7845","","10.1039/c1cc12263k","","","0.71073","MoKα","","0.0667","0.0433","","","0.1064","0.1149","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106598","8.0477","0.0018","9.343","0.002","27.225","0.006","90","","90","","90","","2047","0.8","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 -","- C24 H34 N2 -","- C96 H136 N8 -","4","1","","Hikaru Suzuki; Sakae Aoyagi","Total synthesis of (±)-chamobtusin A","Chem.Commun.","2011","47","","7878","","10.1039/c1cc12267c","","","0.71073","MoKα","","0.0425","0.0393","","","0.1037","0.1062","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106599","10.7892","0.0004","13.641","0.002","19.851","0.003","90","","95.049","0.002","90","","2910.2","0.6","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Mn2 N8 O10 -","- C26 H24 Mn2 N8 O10 -","- C104 H96 Mn8 N32 O40 -","4","1","","Tamas Panda; Pradip Pachfule; Rahul Banerjee","Template induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)","Chem.Commun.","2011","47","","7674","","10.1039/c1cc12278a","","","0.71073","MoKα","","0.053","0.0462","","","0.1024","0.1057","","","","","","1.157","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106600","12.2862","0.0004","14.9471","0.0004","20.8959","0.0005","90","","90","","90","","3837.39","0.19","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","?Mn-5TIA-2","","","- C43.7 H10 Mn2 N6 O8 -","- C43.7 H10 Mn2 N6 O8 -","- C174.8 H40 Mn8 N24 O32 -","4","0.5","","Tamas Panda; Pradip Pachfule; Rahul Banerjee","Template induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)","Chem.Commun.","2011","47","","7674","","10.1039/c1cc12278a","","","0.71073","MoKα","","0.1098","0.0862","","","0.2761","0.2872","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106601","11.214","0.011","12.585","0.013","14.447","0.015","90","","110.125","0.015","90","","1914","3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Mn N3 O4 -","- C10 H5 Mn N3 O4 -","- C40 H20 Mn4 N12 O16 -","4","1","","Tamas Panda; Pradip Pachfule; Rahul Banerjee","Template induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)","Chem.Commun.","2011","47","","7674","","10.1039/c1cc12278a","","","0.71073","MoKα","","0.0778","0.0642","","","0.1599","0.1669","","","","","","0.997","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106602","19.6727","0.0008","14.166","0.0007","5.9443","0.0002","90","","90","","90","","1656.58","0.12","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H14 Cl3 N O -","- C18 H14 Cl3 N O -","- C72 H56 Cl12 N4 O4 -","4","1","","Wentao Wang; Xiangjin Lian; Donghui Chen; Xiaohua Liu; Lili Lin; Xiaoming Feng","Highly enantioselective yttrium(III)-catalyzed Friedel-Crafts alkylation of B-trichloro(trifluoro)methyl aryl enones with indoles","Chem.Commun.","2011","47","","7821","","10.1039/c1cc12306h","","","0.7107","MoKα","","0.0617","0.044","","","0.0685","0.0752","","","","","","1.058","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106603","7.7605","0.0005","10.266","0.0008","14.6746","0.0011","73.704","0.003","86.924","0.003","70.205","0.003","1054.73","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 F3 N O -","- C27 H22 F3 N O -","- C54 H44 F6 N2 O2 -","2","1","","G. Rajeshwar Reddy; T. Ram Reddy; Suju C. Joseph; K. Sateesh Reddy; L. Srinivasula Reddy; P. Mahesh Kumar; G. Rama Krishna; C. Malla Reddy; D. Rambabu; Ravikumar Kapavarapu; Chandana Lakshmi; Teja Meda; K. Krishna Priya; Kishore V. L. Parsa; Manojit Pal","Pd-mediated new synthesis of pyrroles: their evaluation as potential inhibitors of phosphodiesterase 4","Chem.Commun.","2011","47","","7779","","10.1039/c1cc12321a","","","0.71073","MoKα","","0.0437","0.0393","","","0.117","0.1221","","","","","","0.803","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106604","7.7415","0.0004","10.0575","0.0005","14.2538","0.0007","76.801","0.002","88.027","0.002","74.254","0.002","1039.49","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C54 H50 N2 O4 -","2","1","","G. Rajeshwar Reddy; T. Ram Reddy; Suju C. Joseph; K. Sateesh Reddy; L. Srinivasula Reddy; P. Mahesh Kumar; G. Rama Krishna; C. Malla Reddy; D. Rambabu; Ravikumar Kapavarapu; Chandana Lakshmi; Teja Meda; K. Krishna Priya; Kishore V. L. Parsa; Manojit Pal","Pd-mediated new synthesis of pyrroles: their evaluation as potential inhibitors of phosphodiesterase 4","Chem.Commun.","2011","47","","7779","","10.1039/c1cc12321a","","","0.71073","MoKα","","0.0493","0.0399","","","0.1132","0.1368","","","","","","0.875","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106605","16.779","0.004","13.615","0.004","16.919","0.004","90","","100.05","0.005","90","","3805.8","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C168 H176 N16 O24 S8 -","8","1","","Gianpiero Cera; Pasquale Crispino; Magda Monari; Marco Bandini","Stereoselective synthesis of tetracyclic indolines via gold-catalyzed cascade cyclization reactions","Chem.Commun.","2011","47","","7803","","10.1039/c1cc12328a","","","0.71073","MoKα","","0.2131","0.0949","","","0.153","0.1994","","","","","","1.087","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106606","17.796","0.006","6.252","0.0018","20.307","0.006","90","","90.601","0.004","90","","2259.2","1.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H31 N O5 -","- C24 H31 N O5 -","- C96 H124 N4 O20 -","4","1","","Gianpiero Cera; Pasquale Crispino; Magda Monari; Marco Bandini","Stereoselective synthesis of tetracyclic indolines via gold-catalyzed cascade cyclization reactions","Chem.Commun.","2011","47","","7803","","10.1039/c1cc12328a","","","0.71073","MoKα","","0.0495","0.0381","","","0.0897","0.0963","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106607","8.735","0.003","11.975","0.004","12.478","0.005","61.48","0.005","69.536","0.003","80.201","0.007","1074.4","0.7","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 O4 P -","- C24 H25 O4 P -","- C48 H50 O8 P2 -","2","1","","Xiang-Qiang Pan; Lu Wang; Jian-Ping Zou; Wei Zhang","Manganese(III)-mediated phosphinoyl radical reactions for stereoselective synthesis of phosphinoylated tetrahydronaphthalenes","Chem.Commun.","2011","47","","7875","","10.1039/c1cc12343b","","","0.71075","MoKα","","0.0735","0.0465","","","0.0866","0.0959","","","","","","0.986","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106608","10.222","0.0016","11.5941","0.0018","12.512","0.002","76.814","0.002","80.226","0.002","65.223","0.002","1306.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H64 Cl2 N2 O2 U -","- C58 H64 Cl2 N2 O2 U -","- C58 H64 Cl2 N2 O2 U -","1","0.5","","David Schnaars; Enrique Batista; Andrew Gaunt; Trevor Hayton; Iain May; Sean Reilly; Brian Scott; Guang Wu","Differences in actinide metal-ligand orbital interactions: comparison of U(IV) and Pu(IV) B-ketoiminate N,O donor complexes","Chem.Commun.","2011","47","","7647","","10.1039/c1cc12409a","","","0.71073","MoKα","","0.0496","0.0458","","","0.0849","0.086","","","","","","0.975","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106609","11.5036","0.0013","20.834","0.002","12.6003","0.0014","90","","95.737","0.001","90","","3004.7","0.6","140","1","140","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 Cl4 I2 N2 O2 U -","- C60 H68 Cl4 I2 N2 O2 U -","- C120 H136 Cl8 I4 N4 O4 U2 -","2","0.5","","David Schnaars; Enrique Batista; Andrew Gaunt; Trevor Hayton; Iain May; Sean Reilly; Brian Scott; Guang Wu","Differences in actinide metal-ligand orbital interactions: comparison of U(IV) and Pu(IV) B-ketoiminate N,O donor complexes","Chem.Commun.","2011","47","","7647","","10.1039/c1cc12409a","","","0.71073","MoKα","","0.0595","0.038","","","0.0863","0.0943","","","","","","1.123","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106610","10.1318","0.001","11.8288","0.0011","13.1117","0.0013","105.299","0.001","103.816","0.001","93.757","0.001","1457.9","0.2","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H74 I2 N2 O3 Pu -","- C58 H64 I2 N2 O2 Pu -","- C58 H64 I2 N2 O2 Pu -","1","0.5","","David Schnaars; Enrique Batista; Andrew Gaunt; Trevor Hayton; Iain May; Sean Reilly; Brian Scott; Guang Wu","Differences in actinide metal-ligand orbital interactions: comparison of U(IV) and Pu(IV) B-ketoiminate N,O donor complexes","Chem.Commun.","2011","47","","7647","","10.1039/c1cc12409a","","","0.71073","MoKα","","0.0287","0.0238","","","0.056","0.0574","","","","","","1.075","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106611","10.6703","0.0003","16.2068","0.0004","12.049","0.0003","90","","106.683","0.001","90","","1995.95","0.09","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 N2 O2 S2 Si2 -","- C44 H52 N2 O2 S2 Si2 -","- C88 H104 N4 O4 S4 Si4 -","2","0.5","","Zhong Li; Yee-Fun Lim; Jongbok Kim; Sean Parkin; Yueh-Lin Loo; George Malliaras; John E.Anthony","Isomerically pure electron-deficient anthradithiophenes and their acceptor performance in polymer solar cells","Chem.Commun.","2011","47","","7617","","10.1039/c1cc12410b","","","1.54178","CuKα","","0.0498","0.047","","","0.139","0.1445","","","","","","1.184","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106612","11.1843","0.0003","14.8367","0.0004","15.7732","0.0004","63.054","0.001","77.064","0.001","89.14","0.001","2262.72","0.11","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H60 N2 O2 S2 Si2 -","- C51 H60 N2 O2 S2 Si2 -","- C102 H120 N4 O4 S4 Si4 -","2","1","","Zhong Li; Yee-Fun Lim; Jongbok Kim; Sean Parkin; Yueh-Lin Loo; George Malliaras; John E.Anthony","Isomerically pure electron-deficient anthradithiophenes and their acceptor performance in polymer solar cells","Chem.Commun.","2011","47","","7617","","10.1039/c1cc12410b","","","1.54178","CuKα","","0.0365","0.0351","","","0.0946","0.0964","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106613","10.2071","0.0002","11.2105","0.0003","24.2602","0.0006","90","","90","","90","","2776.01","0.11","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N4 -","- C14 H20 N4 -","- C112 H160 N32 -","8","2","","Marco Wenzel; Mark E. Light; Anthony P. Davis; Philip A. Gale","Thiourea isosteres as anion receptors and transmembrane transporters","Chem.Commun.","2011","47","","7641","","10.1039/c1cc12439k","","","0.71073","MoK\α","","0.0775","0.0546","","","0.1256","0.1379","","","","","","1.035","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106614","13.6862","0.0009","10.6669","0.0007","11.3955","0.0007","90","","109.57","0.004","90","","1567.52","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F5 N4 -","- C14 H15 F5 N4 -","- C56 H60 F20 N16 -","4","1","","Marco Wenzel; Mark E. Light; Anthony P. Davis; Philip A. Gale","Thiourea isosteres as anion receptors and transmembrane transporters","Chem.Commun.","2011","47","","7641","","10.1039/c1cc12439k","","","0.71073","MoK\α","","0.0916","0.0706","","","0.1804","0.2081","","","","","","1.112","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106615","8.5794","0.0002","10.2955","0.0002","15.2141","0.0003","90","","90","","90","","1343.85","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 S -","- C13 H20 N2 S -","- C52 H80 N8 S4 -","4","1","","Marco Wenzel; Mark E. Light; Anthony P. Davis; Philip A. Gale","Thiourea isosteres as anion receptors and transmembrane transporters","Chem.Commun.","2011","47","","7641","","10.1039/c1cc12439k","","","0.71073","MoK\α","","0.0379","0.0345","","","0.0749","0.0769","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106616","8.452","0.0009","9.9029","0.0011","16.5155","0.0018","90","","90","","90","","1382.3","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Phenyl-Mirror","Phenyl-Mirror","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Deana M. Jaber; Ryan N. Burgin; Matthew Hepler; Peter Zavalij; Zavalij, Peter; Michael P. Doyle","Control of Selectivity in the Generation and Reactions of Oxonium Ylides","Chem. Commun.","2011","47","","7623","","10.1039/c1cc12443a","","","0.71073","MoKα","","0.0287","0.0283","","","0.0669","0.0671","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106617","10.3115","0.0011","11.0094","0.0012","13.2743","0.0014","89.6028","0.0014","67.7337","0.0013","80.3302","0.0014","1372.1","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","Diazo Decomp-Major product","Diazo Decomp-Major product","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","2","","Deana M. Jaber; Ryan N. Burgin; Matthew Hepler; Peter Zavalij; Zavalij, Peter; Michael P. Doyle","Control of Selectivity in the Generation and Reactions of Oxonium Ylides","Chem. Commun.","2011","47","","7623","","10.1039/c1cc12443a","","","0.71073","MoKα","","0.0454","0.0359","","","0.0748","0.0779","","","","","","1","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106618","11.1651","0.0019","13.264","0.002","13.36","0.002","93.405","0.003","109.288","0.003","111.239","0.003","1704.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 N6 O12 P -","- C24 H49 N6 O12 P -","- C48 H98 N12 O24 P2 -","2","1","","Jesse V. Gavette; Juven Lara; Orion B. Berryman; Lev N. Zakharov; Michael M. Haley; Darren W. Johnson","Lithium cation enhances anion binding in a tripodal phosphine oxide-based ditopic receptor","Chem.Commun.","2011","47","","7653","","10.1039/c1cc12475g","","","0.71073","MoKα","","0.0729","0.0476","","","0.1097","0.132","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106619","26.969","0.004","26.969","0.004","4.7896","0.0009","90","","90","","120","","3016.9","0.8","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C30 H36 N9 O19 P S3 -","- C30 H36 N9 O19 P S3 -","- C90 H108 N27 O57 P3 S9 -","3","0.333333","","Jesse V. Gavette; Juven Lara; Orion B. Berryman; Lev N. Zakharov; Michael M. Haley; Darren W. Johnson","Lithium cation enhances anion binding in a tripodal phosphine oxide-based ditopic receptor","Chem.Commun.","2011","47","","7653","","10.1039/c1cc12475g","","","0.71073","MoKα","","0.0686","0.0474","","","0.0701","0.0768","","","","","","0.838","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106620","17.0146","0.0009","8.7374","0.0004","27.2505","0.0015","90","","93.109","0.003","90","","4045.2","0.4","100.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Ge -","- C26 H22 Ge -","- C208 H176 Ge8 -","8","2","","Masumi Itazaki; Masahiro Kamitani; Hiroshi Nakazawa","Trans-selective hydrogermylation of alkynes promoted by methyliron and bis(germyl)hydridoiron complexes as a catalyst precursor","Chem.Commun.","2011","47","","7854","","10.1039/c1cc12530c","","","0.7107","MoKα","","","0.0563","","","","0.0962","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106621","10.44","0.0012","14.1","0.0014","16.5","0.0014","63.3","0.005","81.67","0.007","89.18","0.008","2143.4","0.4","190","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H36 Fe Ge2 O -","- C18 H36 Fe Ge2 O -","- C72 H144 Fe4 Ge8 O4 -","4","2","","Masumi Itazaki; Masahiro Kamitani; Hiroshi Nakazawa","Trans-selective hydrogermylation of alkynes promoted by methyliron and bis(germyl)hydridoiron complexes as a catalyst precursor","Chem.Commun.","2011","47","","7854","","10.1039/c1cc12530c","","","0.7107","MoKα","","0.054","0.0447","","","0.1009","0.1059","","","","","","1","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106622","12.931","0.002","14.4","0.002","19.151","0.003","88.061","0.009","87.698","0.008","74.396","0.007","3430.9","0.9","200","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Fe Ge2 O -","- C42 H35.5 Fe Ge2 O -","- C168 H142 Fe4 Ge8 O4 -","4","2","","Masumi Itazaki; Masahiro Kamitani; Hiroshi Nakazawa","Trans-selective hydrogermylation of alkynes promoted by methyliron and bis(germyl)hydridoiron complexes as a catalyst precursor","Chem.Commun.","2011","47","","7854","","10.1039/c1cc12530c","","","0.7107","MoKα","","0.0895","0.0802","","","0.1833","0.1877","","","","","","1.032","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106623","9.166","0.002","17.124","0.004","23.657","0.005","90","","90","","90","","3713.2","1.4","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C168 H176 N16 O32 -","8","1","","Hiromitsu Maeda; Yoshitaka Terashima","Solvent-dependent supramolecular assemblies based on multiple noncovalent interactions such as hydrogen bonding and p-p stacking of p-conjugated anion-responsive acyclic oligopyrroles","Chem.Commun.","2011","47","","7620","","10.1039/c1cc12827b","","","0.71075","MoK?","","0.0547","0.0391","","","0.0935","0.1006","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106624","10.755","0.003","16.694","0.006","23.83","0.009","91.432","0.014","99.301","0.012","103.498","0.011","4097","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C90.5 H85 B2 F4 N8 O22.5 -","- C90.5 H85 B2 F4 N8 O22.5 -","- C181 H170 B4 F8 N16 O45 -","2","1","","Hiromitsu Maeda; Yoshitaka Terashima","Solvent-dependent supramolecular assemblies based on multiple noncovalent interactions such as hydrogen bonding and p-p stacking of p-conjugated anion-responsive acyclic oligopyrroles","Chem.Commun.","2011","47","","7620","","10.1039/c1cc12827b","","","0.71075","MoKa","","0.2325","0.0897","","","0.1657","0.2286","","","","","","0.801","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106625","22.3431","0.0004","21.4597","0.0004","24.7703","0.0005","90","","105.666","0.0008","90","","11435.6","0.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 B F2 N4 O10 -","- C45 H43 B F2 N4 O10 -","- C360 H344 B8 F16 N32 O80 -","8","2","","Hiromitsu Maeda; Yoshitaka Terashima","Solvent-dependent supramolecular assemblies based on multiple noncovalent interactions such as hydrogen bonding and p-p stacking of p-conjugated anion-responsive acyclic oligopyrroles","Chem.Commun.","2011","47","","7620","","10.1039/c1cc12827b","","","1.54187","CuK?","","0.1914","0.1076","","","0.2759","0.3318","","","","","","0.914","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106626","10.5615","0.0011","13.76","0.0014","17.3141","0.0018","90","","90","","90","","2516.2","0.5","111","2","111","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Me6TrenCuONPh TfO Triplet","","","- C19 H35 Cu F3 N5 O4 S -","- C19 H35 Cu F3 N5 O4 S -","- C76 H140 Cu4 F12 N20 O16 S4 -","4","1","","Mohammad S. Askari; Brigitte Girard; Muralee Murugesu; Xavier Ottenwaelder","The two spin states of an end-on copper(II)-superoxide mimic","Chem.Commun.","2011","47","","8055","","10.1039/c1cc11381j","","","0.71073","MoKα","","0.0403","0.032","","","0.0713","0.0751","","","","","","1.021","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106627","12.4249","0.0011","11.7456","0.001","20.7529","0.0018","90","","105.842","0.001","90","","2913.6","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Me6TrenCuONPh SbF6 purple","","","- C22 H43 Cu F6 N5 O2 Sb -","- C22 H43 Cu F6 N5 O2 Sb -","- C88 H172 Cu4 F24 N20 O8 Sb4 -","4","1","","Mohammad S. Askari; Brigitte Girard; Muralee Murugesu; Xavier Ottenwaelder","The two spin states of an end-on copper(II)-superoxide mimic","Chem.Commun.","2011","47","","8055","","10.1039/c1cc11381j","","","0.71073","MoKα","","0.064","0.0395","","","0.0832","0.0926","","","","","","1.034","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106628","41.641","0.006","10.618","0.003","14.232","0.004","90","","107.71","0.03","90","","5994","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Cd2 N6 O13.5 -","- C24 H25 Cd2 N6 O13.5 -","- C192 H200 Cd16 N48 O108 -","8","1","","Prakash Kanoo; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa; Tapas Kumar Maji","A pillared-bilayer porous coordination polymer with a 1D channel and a 2D interlayer space, showing unique gas and vapor sorption","Chem.Commun.","2011","47","","8106","","10.1039/c1cc11416f","","","0.71073","MoKα","","0.0302","0.0287","","","0.0682","0.0693","","","","","","1.189","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106629","6.5014","0.0008","10.8725","0.0013","19.629","0.002","90","","95.648","0.002","90","","1380.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Guo-Bo Deng; Zhi-Qiang Wang; Ren-Jie Song; Ming-Bo Zhou; Wen-Ting Wei; Peng Xie; Jin-Heng Li","Synthesis of 3-(Aminomethylene)-2-oxoindolines by Palladium-Catalyzed Annulation of 3-Chloro-2-iodo-N-arylacrylamides with Amides or Amines","Chem. Commun.","2011","47","","8151","","10.1039/c1cc11602a","","","0.71073","MoKα","","0.0674","0.0496","","","0.1297","0.1395","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106630","8.4249","0.0004","10.9067","0.0006","15.1728","0.0008","85.356","0.001","86.94","0.001","83.341","0.001","1378.88","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H43 B11 N2 O2 -","- C21 H43 B11 N2 O2 -","- C42 H86 B22 N4 O4 -","2","1","","Jian Zhang; Hoi-Shan Chan; Zuowei Xie","Selective cage boron/carbon extrusion reaction of 13-vertex carborane m-1,2-(CH2)3-1,2-C2B11H11: formation of nido-CB10, closo-CB10, and closo-C2B10 species","Chem.Commun.","2011","47","","8082","","10.1039/c1cc12023a","","","0.71073","MoKα","","0.0626","0.0523","","","0.152","0.1627","","","","","","1.092","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106631","15.5726","0.0006","9.8303","0.0004","18.0313","0.0007","90","","104.097","0.001","90","","2677.16","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 B11 N2 O -","- C20 H39 B11 N2 O -","- C80 H156 B44 N8 O4 -","4","1","","Jian Zhang; Hoi-Shan Chan; Zuowei Xie","Selective cage boron/carbon extrusion reaction of 13-vertex carborane m-1,2-(CH2)3-1,2-C2B11H11: formation of nido-CB10, closo-CB10, and closo-C2B10 species","Chem.Commun.","2011","47","","8082","","10.1039/c1cc12023a","","","0.71073","MoKα","","0.1151","0.0992","","","0.2791","0.3083","","","","","","1.04","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106632","9.242","0.0015","12.376","0.002","18.093","0.003","90","","90","","90","","2069.5","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B11 N2 -","- C15 H27 B11 N2 -","- C60 H108 B44 N8 -","4","1","","Jian Zhang; Hoi-Shan Chan; Zuowei Xie","Selective cage boron/carbon extrusion reaction of 13-vertex carborane m-1,2-(CH2)3-1,2-C2B11H11: formation of nido-CB10, closo-CB10, and closo-C2B10 species","Chem.Commun.","2011","47","","8082","","10.1039/c1cc12023a","","","0.71073","MoKα","","0.1639","0.0581","","","0.1161","0.1558","","","","","","0.971","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106633","24.3055","0.0018","16.5785","0.0011","14.2903","0.001","90","","90","","90","","5758.3","0.7","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H23 B11 N2 -","- C15 H23 B11 N2 -","- C180 H276 B132 N24 -","12","3","","Jian Zhang; Hoi-Shan Chan; Zuowei Xie","Selective cage boron/carbon extrusion reaction of 13-vertex carborane m-1,2-(CH2)3-1,2-C2B11H11: formation of nido-CB10, closo-CB10, and closo-C2B10 species","Chem.Commun.","2011","47","","8082","","10.1039/c1cc12023a","","","0.71073","MoKα","","0.148","0.0816","","","0.2045","0.2716","","","","","","1.038","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106634","15.195","0.006","25.537","0.009","17.451","0.007","90","","114.634","0.004","90","","6155","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H62 Cl2 N16 O16 -","- C57 H62 Cl2 N16 O16 -","- C228 H248 Cl8 N64 O64 -","4","1","","Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Ion pair receptors based on anion-p interaction","Chem.Commun.","2011","47","","8112","","10.1039/c1cc12075a","","","0.71073","MoKα","","0.1553","0.1342","","","0.2314","0.2413","","","","","","1.361","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106635","11.2259","0.0006","11.646","0.0007","12.8181","0.0005","90","","116.694","0.003","90","","1497.19","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Br2 Cu N2 O4 -","- C12 H6 Br2 Cu N2 O4 -","- C48 H24 Br8 Cu4 N8 O16 -","4","1","","Miao Du; Cheng-Peng Li; Jing-Min Wu; Jian-Hua Guo; Wang Guichang","Destruction and reconstruction of the robust [Cu2(OOCR)4] unit during crystal structure transformations between two coordination polymers","Chem.Commun.","2011","47","","8088","","10.1039/c1cc12184g","","","0.71073","MoKα","","0.0433","0.0327","","","0.091","0.1095","","","","","","1.092","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106636","25.981","0.003","11.2127","0.0011","11.0879","0.0011","90","","93.681","0.002","90","","3223.4","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 Cu N2 O6 -","- C12 H10 Br2 Cu N2 O6 -","- C96 H80 Br16 Cu8 N16 O48 -","8","1","","Miao Du; Cheng-Peng Li; Jing-Min Wu; Jian-Hua Guo; Wang Guichang","Destruction and reconstruction of the robust [Cu2(OOCR)4] unit during crystal structure transformations between two coordination polymers","Chem.Commun.","2011","47","","8088","","10.1039/c1cc12184g","","","0.71073","MoKα","","0.029","0.0244","","","0.0563","0.0584","","","","","","1.035","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106637","13.237","0.001","14.763","0.001","24.055","0.001","90","","90","","90","","4700.8","0.5","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H28 N4 O4 -","- C26 H28 N4 O4 -","- C208 H224 N32 O32 -","8","1","","Laurent El Kaim; Laurence Grimaud; Xavier-Frederic Le Goff; Luis D. Miranda; Martha Menes-Arzate","Straightforward four-component access to spiroindolines.","Chem. Commun.","2011","47","","8145","","10.1039/c1cc12236c","","","0.71069","MoKα","","0.0755","0.0555","","","0.1322","0.1465","","","","","","1.031","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106638","6.561","0.003","9.171","0.004","32.072","0.013","90","","94.608","0.006","90","","1923.6","1.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","1","","Raymond C. F. Jones; James N. Iley; Maria Sanchis-Amat; Xiaohui Zhang; Vickie McKee; Simon J. Coles; Thomas Gelbrich","Imidazolium ylides from a conjugate addition-proton transfer route and their cycloaddition reactions","Chem.Commun.","2011","47","","7965","","10.1039/c1cc12255j","","","0.8464","synchrotron","","0.1062","0.0834","","","0.207","0.2177","","","","","","1.139","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106639","7.4904","0.001","12.842","0.002","13.37","0.002","68.762","0.006","75.646","0.006","80.916","0.008","1158","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O8 -","- C22 H28 N2 O8 -","- C44 H56 N4 O16 -","2","1","","Raymond C. F. Jones; James N. Iley; Maria Sanchis-Amat; Xiaohui Zhang; Vickie McKee; Simon J. Coles; Thomas Gelbrich","Imidazolium ylides from a conjugate addition-proton transfer route and their cycloaddition reactions","Chem.Commun.","2011","47","","7965","","10.1039/c1cc12255j","","","0.71073","MoKα","","0.145","0.0634","","","0.1403","0.1648","","","","","","0.974","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106640","11.331","0.002","13.023","0.003","15.005","0.003","100.18","0.03","108.98","0.03","90.44","0.03","2055.8","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N3 O6 -","- C21 H25 N3 O6 -","- C84 H100 N12 O24 -","4","2","","Raymond C. F. Jones; James N. Iley; Maria Sanchis-Amat; Xiaohui Zhang; Vickie McKee; Simon J. Coles; Thomas Gelbrich","Imidazolium ylides from a conjugate addition-proton transfer route and their cycloaddition reactions","Chem.Commun.","2011","47","","7965","","10.1039/c1cc12255j","","","0.71073","MoKα","","0.1437","0.1033","","","0.2628","0.3028","","","","","","1.054","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7106641","8.2541","0.0016","22.531","0.005","17.726","0.004","90","","90.01","0.011","90","","3296.6","1.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 B O3 P Pd -","- C40 H38 B O3 P Pd -","- C160 H152 B4 O12 P4 Pd4 -","4","1","","Raluca Malacea; Nathalie Saffon; Montserrat Gomez; Didier Bourissou","ortho-(Dimesitylboryl)phenylphosphines as Biarylphosphine Cousins: the Showcase of Pd-Catalyzed Suzuki-Miyaura Coupling","Chem.Commun.","2011","47","","8163","","10.1039/c1cc12611c","","x-ray","0.71073","MoKα","","0.0783","0.0453","","","0.0878","0.1001","","","","","","1.025","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106642","35.555","0.003","11.8292","0.0009","14.7547","0.0012","90","","90","","90","","6205.6","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C72.5 H68.75 B2 N8.75 O0.25 Ru -","- C70 H64 B2 N8 Ru -","- C280 H256 B8 N32 Ru4 -","4","1","","Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht","Tunable single-site ruthenium catalysts for efficient water oxidation","Chem.Commun.","2011","47","","8058","","10.1039/c1cc12615f","","","0.71073","MoKα","","0.0409","0.0389","","","0.0894","0.0904","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106643","10.8566","0.0005","11.8285","0.0004","12.7801","0.0005","71.673","0.003","72.374","0.004","65.259","0.004","1386.76","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H22 F6 N8 O6 Ru S2 -","- C19 H22 F6 N8 O6 Ru S2 -","- C38 H44 F12 N16 O12 Ru2 S4 -","2","1","","Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht","Tunable single-site ruthenium catalysts for efficient water oxidation","Chem.Commun.","2011","47","","8058","","10.1039/c1cc12615f","","","0.71073","MoKα","","0.0343","0.0257","","","0.062","0.0641","","","","","","1.047","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106644","9.1535","0.0002","11.7781","0.0003","12.9329","0.0003","84.914","0.002","71.896","0.002","85.969","0.002","1318.72","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 F12 N7 P2 Ru -","- C17 H21 F12 N7 P2 Ru -","- C34 H42 F24 N14 P4 Ru2 -","2","1","","Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht","Tunable single-site ruthenium catalysts for efficient water oxidation","Chem.Commun.","2011","47","","8058","","10.1039/c1cc12615f","","","0.71073","MoKα","","0.0379","0.0332","","","0.0775","0.0807","","","","","","1.055","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106645","9.0688","0.0002","9.8428","0.0002","13.7787","0.0003","85.827","0.002","84.744","0.002","70.41","0.002","1152.7","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H24 Cl F3 N4 O3 Ru S -","- C20 H24 Cl F3 N4 O3 Ru S -","- C40 H48 Cl2 F6 N8 O6 Ru2 S2 -","2","1","","Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht","Tunable single-site ruthenium catalysts for efficient water oxidation","Chem.Commun.","2011","47","","8058","","10.1039/c1cc12615f","","","0.71073","MoKα","","0.038","0.0292","","","0.0632","0.0687","","","","","","1.061","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106646","7.9511","0.0002","11.3181","0.0003","15.6143","0.0005","83.12","0.002","75.63","0.002","80.116","0.002","1336.59","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H29 Cl F3 N5 O3 Ru S -","- C23 H29 Cl F3 N5 O3 Ru S -","- C46 H58 Cl2 F6 N10 O6 Ru2 S2 -","2","1","","Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht","Tunable single-site ruthenium catalysts for efficient water oxidation","Chem.Commun.","2011","47","","8058","","10.1039/c1cc12615f","","","0.71073","MoKα","","0.0566","0.0366","","","0.0631","0.0699","","","","","","1.057","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106647","12.2612","0.0001","15.4601","0.0002","16.5297","0.0002","90","","107.76","0.001","90","","2984.03","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 F6 N8 O6 Ru S2 -","- C20 H24 F6 N8 O6 Ru S2 -","- C80 H96 F24 N32 O24 Ru4 S8 -","4","1","","Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht","Tunable single-site ruthenium catalysts for efficient water oxidation","Chem.Commun.","2011","47","","8058","","10.1039/c1cc12615f","","","0.71073","MoKα","","0.0243","0.0216","","","0.0507","0.0524","","","","","","1.047","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106648","8.5421","0.0001","24.5273","0.0002","16.1468","0.0002","90","","102.379","0.001","90","","3304.34","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22.51 H28.76 F6 N8.76 O6.25 Ru S2 -","- C22.51 H28.265 F6 N8.755 O6.246 Ru S2 -","- C90.04 H113.06 F24 N35.02 O24.984 Ru4 S8 -","4","1","","Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht","Tunable single-site ruthenium catalysts for efficient water oxidation","Chem.Commun.","2011","47","","8058","","10.1039/c1cc12615f","","","0.71073","MoKα","","0.0435","0.0319","","","0.069","0.0755","","","","","","1.074","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106649","9.221","0.0001","10.6901","0.0001","27.7904","0.0003","90","","92.849","0.001","90","","2736.01","0.05","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl F3 N5 O3 Ru S -","- C24 H31 Cl F3 N5 O3 Ru S -","- C96 H124 Cl4 F12 N20 O12 Ru4 S4 -","4","1","","Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht","Tunable single-site ruthenium catalysts for efficient water oxidation","Chem.Commun.","2011","47","","8058","","10.1039/c1cc12615f","","","0.71073","MoKα","","0.0376","0.0271","","","0.0502","0.0543","","","","","","1.09","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106650","22.169","0.017","22.169","0.017","14.93","0.02","90","","90","","90","","7338","13","296","2","296","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C33 H39 Cl Fe N7 O4 -","- C33 H39 Cl Fe N7 O4 -","- C264 H312 Cl8 Fe8 N56 O32 -","8","0.5","","Chakadola Panda; Tamas Panda; Munmun Ghosh; Rahul Banerjee; Sayam Sen Gupta","Fe(III) complex of biuret-amide based macrocyclic ligand as peroxidase enzyme mimic","Chem.Commun.","2011","47","","8016","","10.1039/c1cc12686e","","","0.71073","MoKα","","0.1108","0.066","","","0.1985","0.2182","","","","","","1.019","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106651","8.5885","0.0019","13.388","0.003","15.162","0.004","90","","90","","90","","1743.4","0.7","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Roy T. McBurney; Alexandra M. Z. Slawin; Laura A. Smart; Yanping Yu; John C. Walton","UV Promoted Phenanthridine Syntheses from Oxime Carbonate Derived Iminyl Radicals","Chem. Commun.","2011","47","","7974","","10.1039/c1cc12720a","","","0.71073","MoKα","","0.0441","0.0373","","","0.0751","0.0795","","","","","","0.987","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106652","24.039","0.014","7.017","0.005","19.28","0.012","90","","95.759","0.014","90","","3236","4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H16 Cl N O3 -","- C17 H16 Cl N O3 -","- C136 H128 Cl8 N8 O24 -","8","2","","Roy T. McBurney; Alexandra M. Z. Slawin; Laura A. Smart; Yanping Yu; John C. Walton","UV Promoted Phenanthridine Syntheses from Oxime Carbonate Derived Iminyl Radicals","Chem. Commun.","2011","47","","7974","","10.1039/c1cc12720a","","","1.54178","CuKα","","0.1656","0.1423","","","0.3619","0.3976","","","","","","1.203","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106653","4.469","0.003","13.268","0.01","18.459","0.016","90","","96.36","0.02","90","","1087.8","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Roy T. McBurney; Alexandra M. Z. Slawin; Laura A. Smart; Yanping Yu; John C. Walton","UV Promoted Phenanthridine Syntheses from Oxime Carbonate Derived Iminyl Radicals","Chem. Commun.","2011","47","","7974","","10.1039/c1cc12720a","","","1.54178","CuKα","","0.157","0.1223","","","0.3345","0.3712","","","","","","1.244","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106654","9.119","0.008","9.581","0.007","10.232","0.008","97.856","0.018","96.761","0.013","104.7","0.02","845.7","1.2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O5 -","- C21 H15 N O5 -","- C42 H30 N2 O10 -","2","1","","Roy T. McBurney; Alexandra M. Z. Slawin; Laura A. Smart; Yanping Yu; John C. Walton","UV Promoted Phenanthridine Syntheses from Oxime Carbonate Derived Iminyl Radicals","Chem. Commun.","2011","47","","7974","","10.1039/c1cc12720a","","","0.71073","MoKα","","0.0858","0.0783","","","0.1996","0.2115","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106655","14.705","0.003","23.293","0.004","15.049","0.003","90","","103.277","0.002","90","","5016.9","1.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H115 Fe4 N11 O18 -","- C105 H115 Fe4 N11 O18 -","- C210 H230 Fe8 N22 O36 -","2","1","","Yuan-Yuan Zhu; Xiao Guo; Chang Cui; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","An Enantiopure Fe(III)4 Single Molecule Magnet","Chem.Commun.","2011","47","","8049","","10.1039/c1cc12831k","","","0.71073","MoKα","","0.0634","0.0589","","","0.123","0.1265","","","","","","1.123","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7106656","14.705","0.003","23.33","0.005","15.038","0.003","90","","103.008","0.003","90","","5026.7","1.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H115 Fe4 N11 O18 -","- C105 H115 Fe4 N11 O18 -","- C210 H230 Fe8 N22 O36 -","2","1","","Yuan-Yuan Zhu; Xiao Guo; Chang Cui; Bing-Wu Wang; Zhe-Ming Wang; Song Gao","An Enantiopure Fe(III)4 Single Molecule Magnet","Chem.Commun.","2011","47","","8049","","10.1039/c1cc12831k","","","0.71073","MoKα","","0.0925","0.0767","","","0.1445","0.1556","","","","","","1.095","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7106657","10.5881","0.0013","11.7105","0.0013","13.7906","0.0015","90","","95.192","0.004","90","","1702.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Fe O2 -","- C23 H20 Fe O2 -","- C92 H80 Fe4 O8 -","4","1","","Alfonso Latorre; Antonio Urbano; M. Carmen Carreno","Synthesis and chiroptical properties of ferrocene-[4]-helicenequinones: kinetic resolution of a planar-chiral diene","Chem.Commun.","2011","47","","8103","","10.1039/c1cc12921j","","","1.54178","CuKα","","0.0304","0.0285","","","0.0736","0.0749","","","","","","1.045","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106658","7.3174","0.0004","9.4739","0.0005","12.2845","0.0007","90","","96.793","0.003","90","","845.64","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 Fe O2 -","- C23 H18 Fe O2 -","- C46 H36 Fe2 O4 -","2","1","","Alfonso Latorre; Antonio Urbano; M. Carmen Carreno","Synthesis and chiroptical properties of ferrocene-[4]-helicenequinones: kinetic resolution of a planar-chiral diene","Chem.Commun.","2011","47","","8103","","10.1039/c1cc12921j","","","0.71073","MoKα","","0.0287","0.026","","","0.0622","0.0633","","","","","","1.057","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106659","35.1976","0.0008","5.64047","0.00014","19.7426","0.0004","90","","93.899","0.002","90","","3910.45","0.15","100","2","100","2","","","","","","","Laura Lopez","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 N -","- C27 H25 N -","- C216 H200 N8 -","8","1","","Laura Lopez-Suarez; Michael F. Greaney","Tandem indole C-H alkenylation/arylation for tetra-substituted alkene synthesis","Chem.Commun.","2011","47","","7992","","10.1039/c1cc13094c","","","1.5418","CuKα","","0.0672","0.0462","","","0.1136","0.1219","","","","","","0.922","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106660","38.3667","0.0007","5.55996","0.0001","18.9626","0.0003","90","","102.268","0.0018","90","","3952.68","0.12","100","2","100","2","","","","","","","Laura Lopez","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 N O -","- C27 H25 N O -","- C216 H200 N8 O8 -","8","1","","Laura Lopez-Suarez; Michael F. Greaney","Tandem indole C-H alkenylation/arylation for tetra-substituted alkene synthesis","Chem.Commun.","2011","47","","7992","","10.1039/c1cc13094c","","","1.5418","CuKα","","0.0509","0.0446","","","0.121","0.1254","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106661","17.563","0.008","13.825","0.008","13.882","0.008","90","","102.36","0.05","90","","3293","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N18 O2 Zn4 -","- C30 H38 N18 O2 Zn4 -","- C120 H152 N72 O8 Zn16 -","4","1","","Thomas Bennett; Petra Simoncic; Stephen Moggach; Fabia Gozzo; Piero Macchi; David Keen; Jin-Chong Tan; Tony Cheetham","Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)","Chem.Commun.","2011","47","","7983","","10.1039/c1cc11985k","","","0.6889","MoKα","","0.1922","0.1513","","0.3254","0.2994","0.3254","","","","","","1.0606","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106662","17.4068","0.0018","14.0783","0.0017","14.505","0.0017","90","","101.853","0.009","90","","3478.8","0.7","293","","293","","","","2060","","","","","5","P 1 21/c 1","-P 2ybc","14","ZIF-4","","","- C30 H38 N18 O2 Zn4 -","- C30 H38 N18 O2 Zn4 -","- C120 H152 N72 O8 Zn16 -","4","1","","Thomas Bennett; Petra Simoncic; Stephen Moggach; Fabia Gozzo; Piero Macchi; David Keen; Jin-Chong Tan; Tony Cheetham","Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)","Chem.Commun.","2011","47","","7983","","10.1039/c1cc11985k","","x-ray","0.6889","MoKα","","0.1675","0.1528","","0.2896","0.2865","0.2896","","","","","","1.1616","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106663","17.45","0.005","13.912","0.005","14.118","0.005","90","","102.18","0.03","90","","3350","2","293","","293","","","","3210","","","","","5","P 1 21/c 1","-P 2ybc","14","ZIF-4","","","- C30 H38 N18 O2 Zn4 -","- C30 H38 N18 O2 Zn4 -","- C120 H152 N72 O8 Zn16 -","4","1","","Thomas Bennett; Petra Simoncic; Stephen Moggach; Fabia Gozzo; Piero Macchi; David Keen; Jin-Chong Tan; Tony Cheetham","Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)","Chem.Commun.","2011","47","","7983","","10.1039/c1cc11985k","","x-ray","0.6889","MoKα","","0.1879","0.1513","","0.3048","0.2836","0.3048","","","","","","1.045","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106664","17.735","0.009","14.457","0.008","14.829","0.009","90","","100.25","0.05","90","","3741","4","293","","293","","","","560","","","","","5","P 1 21/c 1","-P 2ybc","14","ZIF-4","","","- C30 H38 N18 O2 Zn4 -","- C30 H38 N18 O2 Zn4 -","- C120 H152 N72 O8 Zn16 -","4","1","","Thomas Bennett; Petra Simoncic; Stephen Moggach; Fabia Gozzo; Piero Macchi; David Keen; Jin-Chong Tan; Tony Cheetham","Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)","Chem.Commun.","2011","47","","7983","","10.1039/c1cc11985k","","x-ray","0.71073","MoKα","","0.2125","0.1369","","0.1415","0.1206","0.1206","","","","","","1.2976","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106665","17.608","0.005","14.411","0.005","14.703","0.005","90","","100.9","0.02","90","","3664","2","293","","293","","","","990","","","","","5","P 1 21/c 1","-P 2ybc","14","ZIF-4","","","- C30 H38 N18 O2 Zn4 -","- C30 H38 N18 O2 Zn4 -","- C120 H152 N72 O8 Zn16 -","4","1","","Thomas Bennett; Petra Simoncic; Stephen Moggach; Fabia Gozzo; Piero Macchi; David Keen; Jin-Chong Tan; Tony Cheetham","Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)","Chem.Commun.","2011","47","","7983","","10.1039/c1cc11985k","","x-ray","0.6889","MoKα","","0.1609","0.1336","","0.3074","0.2972","0.3074","","","","","","1.0741","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106666","15.3486","0.0014","15.1069","0.0017","18.343","0.0019","90","","90","","90","","4253.2","0.8","293","","293","","","","130","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-4","","","- C15 H19 N9 O Zn2 -","- C15 H19 N9 O Zn2 -","- C120 H152 N72 O8 Zn16 -","8","1","","Thomas Bennett; Petra Simoncic; Stephen Moggach; Fabia Gozzo; Piero Macchi; David Keen; Jin-Chong Tan; Tony Cheetham","Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)","Chem.Commun.","2011","47","","7983","","10.1039/c1cc11985k","","x-ray","0.71073","MoKα","","0.181","0.0559","","0.2249","0.0946","0.2249","","","","","","0.8034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106667","15.352","0.002","12.385","0.001","46.027","0.008","90","","90","","90","","8751","2","120","2","120","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C27 H31 N O22 Sc3 -","- C192 H96 O144 Sc24 -","- C192 H96 O144 Sc24 -","1","0.125","","Ilich A. Ibarra; Sihai Yang; Xiang Lin; Alexander J. Blake; Pierre J. Rizkallah; Harriott Nowell; David R. Allan; Neil R. Champness; Peter Hubberstey; Martin Schroder","Highly Porous and Robust Scandium-based Metal-Organic Frameworks for Hydrogen Storage","Chem.Commun.","2011","47","","8304","","10.1039/c1cc11168j","","","0.6893","synchrotron","","0.103","0.0392","","","0.117","0.13","","","","","","0.69","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106668","22.605","0.004","22.605","0.004","12.474","0.002","90","","90","","90","","6374","1.9","120","2","120","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C6 H8.2 O7.6 S Sc -","- C6 H3 O5 S Sc -","- C96 H48 O80 S16 Sc16 -","16","0.5","","Ilich A. Ibarra; Sihai Yang; Xiang Lin; Alexander J. Blake; Pierre J. Rizkallah; Harriott Nowell; David R. Allan; Neil R. Champness; Peter Hubberstey; Martin Schroder","Highly Porous and Robust Scandium-based Metal-Organic Frameworks for Hydrogen Storage","Chem.Commun.","2011","47","","8304","","10.1039/c1cc11168j","","","0.6939","synchrotron","","0.0725","0.0622","","","0.177","0.182","","","","","","1.23","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106669","15.347","0.005","15.347","0.005","12.3845","0.0005","90","","90","","90","","2916.9","1.3","120","2","120","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C16 H10.5 O11.25 Sc2 -","- C16 H6 O10 Sc2 -","- C64 H24 O40 Sc8 -","4","0.25","","Ilich A. Ibarra; Sihai Yang; Xiang Lin; Alexander J. Blake; Pierre J. Rizkallah; Harriott Nowell; David R. Allan; Neil R. Champness; Peter Hubberstey; Martin Schroder","Highly Porous and Robust Scandium-based Metal-Organic Frameworks for Hydrogen Storage","Chem.Commun.","2011","47","","8304","","10.1039/c1cc11168j","","","0.6893","synchrotron","","0.035","0.0327","","","0.0912","0.0928","","","","","","1.09","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7106670","17.559","0.0008","15.5831","0.0007","18.4654","0.0008","90","","105.247","0.001","90","","4874.7","0.4","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","C0-Rh-1","4-Phenylpyridine-coordinated rhodium 5,10,15,20-tetraphenylporphyrin chloride","","- C61 H49 Cl N5 O2 Rh -","- C61 H49 Cl N5 O2 Rh -","- C244 H196 Cl4 N20 O8 Rh4 -","4","1","","Takeshi Sakano; Kenji Higashiguchi; Kenji Matsuda","Comparison of Molecular Conductance between Planer and Twisted 4-Phenylpyridine by using Two-dimensional Phase Separation of Tetraphenylporphyrin Templates at Liquid-HOPG Interface","Chem.Commun.","2011","47","","8427","","10.1039/c1cc12041g","","","0.71073","MoKα","","0.0554","0.0373","","","0.0778","0.0846","","","","","","0.922","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106671","17.7891","0.0012","13.8346","0.001","20.6811","0.0019","90","","111.283","0.001","90","","4742.6","0.6","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","C0-Rh-2","4-(2,6-dimethylphenyl)-3-methylpyridine-coordinated rhodium 5,10,15,20-tetraphenylporphyrin chloride","","- C59 H47 Cl N5 O Rh -","- C59 H47 Cl N5 O Rh -","- C236 H188 Cl4 N20 O4 Rh4 -","4","1","","Takeshi Sakano; Kenji Higashiguchi; Kenji Matsuda","Comparison of Molecular Conductance between Planer and Twisted 4-Phenylpyridine by using Two-dimensional Phase Separation of Tetraphenylporphyrin Templates at Liquid-HOPG Interface","Chem.Commun.","2011","47","","8427","","10.1039/c1cc12041g","","","0.71073","MoKα","","0.0589","0.0477","","","0.1254","0.1343","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106672","18.0991","0.0003","10.0405","0.0002","18.2608","0.0003","90","","113.74","0.001","90","","3037.62","0.1","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H42 B F2 N3 O4 -","- C30 H42 B F2 N3 O4 -","- C120 H168 B4 F8 N12 O16 -","4","1","","Hiromitsu Maeda; Kota Kinoshita; Kazumasa Naritani; Yuya Bando","Self-sorting self-complementary assemblies of p-conjugated acyclic anion receptors","Chem.Commun.","2011","47","","8241","","10.1039/c1cc12120k","","","1.54187","CuKα","","0.1144","0.072","","","0.1867","0.2205","","","","","","1.219","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106673","7.7168","0.0011","9.1543","0.0015","31.506","0.005","90","","89.955","0.005","90","","2225.6","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 Fe2 N2 O6 S2 -","- C21 H12 Fe2 N2 O6 S2 -","- C84 H48 Fe8 N8 O24 S8 -","4","1","","Hong-Yan Wang; Gang Si; Wei-Ning Cao; Wen-Guang Wang; Zhi-Jun Li; Feng Wang; Chen-Ho Tung; Li-Zhu Wu","A triad [FeFe] hydrogenase system for light-driven hydrogen evolution","Chem.Commun.","2011","47","","8406","","10.1039/c1cc12200b","","","0.7107","MoKα","","0.0446","0.0354","","","0.0802","0.0848","","","","","","1.063","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106674","7.9943","0.001","16.668","0.002","18.837","0.002","90","","90","","90","","2510","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 N2 O2 S -","- C29 H28 N2 O2 S -","- C116 H112 N8 O8 S4 -","4","1","","Jun Xuan; Ying Cheng; Jing An; Liang-Qiu Lu; Xiao-Xiao Zhang; 'Wen-Jing Xiao","Visible light-induced intramolecular cyclization reactions of diamines: a new strategy to construct tetrahydroimidazoles","Chem.Commun.","2011","47","","8337","","10.1039/c1cc12203g","","","0.71073","MoKα","","0.0964","0.0606","","","0.0863","0.0954","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106675","12.18","0.003","8.667","0.0011","24.155","0.006","90","","101.776","0.011","90","","2496.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 B2 N2 Ru -","- C27 H34 B2 N2 Ru -","- C108 H136 B8 N8 Ru4 -","4","1","","Hanh V. Ly; Jani Moilanen; Heikki M. Tuononen; Masood Parvez; Roland Roesler","More Electron Rich than Cyclopentadienyl: 1,2-Diaza-3,5-diborolyl as a Ligand in Ferrocene and Ruthenocene Analogs","Chem.Commun.","2011","47","","8391","","10.1039/c1cc12281a","","","0.71073","MoKα","","0.0464","0.0342","","","0.0811","0.0884","","","","","","1.039","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106676","11.77","0.005","15.036","0.003","17.927","0.007","90","","105.487","0.014","90","","3057.4","1.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B4 Fe N4 -","- C34 H38 B4 Fe N4 -","- C136 H152 B16 Fe4 N16 -","4","1","","Hanh V. Ly; Jani Moilanen; Heikki M. Tuononen; Masood Parvez; Roland Roesler","More Electron Rich than Cyclopentadienyl: 1,2-Diaza-3,5-diborolyl as a Ligand in Ferrocene and Ruthenocene Analogs","Chem.Commun.","2011","47","","8391","","10.1039/c1cc12281a","","","0.71073","MoKα","","0.0819","0.0477","","","0.1028","0.1176","","","","","","1.031","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106677","7.3273","0.0014","13.832","0.003","19.424","0.004","90","","90","","90","","1968.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O2 S2 -","- C22 H24 O2 S2 -","- C88 H96 O8 S8 -","4","1","","Xiao-Na Wang; Li-Tao Shen; Song Ye","Enantioselective [2+2+2] cycloaddition of ketenes and carbon disulfide catalyzed by N-heterocyclic carbenes","Chem.Commun.","2011","47","","8388","","10.1039/c1cc12316e","","","0.71073","MoKα","","0.0325","0.0321","","","0.0776","0.0779","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106678","26.432","0.003","8.0812","0.001","16.903","0.002","90","","113.58","0.008","90","","3309","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 O2 S2 -","- C19 H16 O2 S2 -","- C152 H128 O16 S16 -","8","1","","Xiao-Na Wang; Li-Tao Shen; Song Ye","Enantioselective [2+2+2] cycloaddition of ketenes and carbon disulfide catalyzed by N-heterocyclic carbenes","Chem.Commun.","2011","47","","8388","","10.1039/c1cc12316e","","","1.54186","CuKα","","0.0396","0.0354","","","0.0889","0.091","","","","","","1.065","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106679","14.8961","0.0003","8.09268","0.00012","16.9803","0.0003","90","","105.64","0.002","90","","1971.17","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44.75 H35.5 Cl3.5 P2 Pt -","- C44.75 H35.5 Cl3.5 P2 Pt -","- C89.5 H71 Cl7 P4 Pt2 -","2","1","","Arne Ficks; Ivan Martinez-Botella; Beverly Stewart; Ross W. Harrington; William Clegg; Lee J. Higham","Taming functionality: easy-to-handle chiral phosphiranes","Chem.Commun.","2011","47","","8274","","10.1039/c1cc12440d","","","0.71073","MoKα","","0.0358","0.0325","","","0.083","0.0838","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106680","19.9049","0.0008","8.3739","0.0002","14.7846","0.0006","90","","122.417","0.005","90","","2080.3","0.17","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C47 H39 Cl5 O2 P2 Pt -","- C46 H38 Cl2 O2 P2 Pt -","- C92 H76 Cl4 O4 P4 Pt2 -","2","0.5","","Arne Ficks; Ivan Martinez-Botella; Beverly Stewart; Ross W. Harrington; William Clegg; Lee J. Higham","Taming functionality: easy-to-handle chiral phosphiranes","Chem.Commun.","2011","47","","8274","","10.1039/c1cc12440d","","","0.71073","MoKα","","0.0339","0.0336","","","0.076","0.0761","","","","","","1.052","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106681","31.4131","0.0016","8.2264","0.0004","11.8449","0.0006","90","","90","","90","","3060.9","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H38 Br Cl3 N4 -","- C27 H38 Br Cl3 N4 -","- C108 H152 Br4 Cl12 N16 -","4","1","","Yunshan Sun; Christian Koehler; Runyu Tan; Vincent T. Annibale; Datong Song","Ester hydrogenation catalyzed by Ru-CNN pincer complexes","Chem.Commun.","2011","47","","8349","","10.1039/c1cc12601f","","","0.71073","MoKα","","0.0736","0.043","","","0.0682","0.0759","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106682","8.9717","0.0002","27.7991","0.0008","9.8235","0.0002","90","","108.431","0.001","90","","2324.36","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Br N4 -","- C23 H31 Br N4 -","- C92 H124 Br4 N16 -","4","1","","Yunshan Sun; Christian Koehler; Runyu Tan; Vincent T. Annibale; Datong Song","Ester hydrogenation catalyzed by Ru-CNN pincer complexes","Chem.Commun.","2011","47","","8349","","10.1039/c1cc12601f","","","0.71073","MoKα","","0.0405","0.0294","","","0.0653","0.0694","","","","","","1.017","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106683","11.9037","0.0005","16.1438","0.0007","14.7255","0.0007","90","","109.14","0.002","90","","2673.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Br N4 O Ru -","- C27 H37 Br N4 O Ru -","- C108 H148 Br4 N16 O4 Ru4 -","4","1","","Yunshan Sun; Christian Koehler; Runyu Tan; Vincent T. Annibale; Datong Song","Ester hydrogenation catalyzed by Ru-CNN pincer complexes","Chem.Commun.","2011","47","","8349","","10.1039/c1cc12601f","","","0.71073","MoKα","","0.0957","0.046","","","0.0913","0.1065","","","","","","1.012","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106684","20.3638","0.0004","10.186","0.0002","23.8259","0.0005","90","","100.651","0.001","90","","4856.96","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H31 Br N4 O Ru -","- C24 H31 Br N4 O Ru -","- C192 H248 Br8 N32 O8 Ru8 -","8","1","","Yunshan Sun; Christian Koehler; Runyu Tan; Vincent T. Annibale; Datong Song","Ester hydrogenation catalyzed by Ru-CNN pincer complexes","Chem.Commun.","2011","47","","8349","","10.1039/c1cc12601f","","","0.71073","MoKα","","0.0422","0.0276","","","0.0566","0.0613","","","","","","1.02","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106685","9.137","0.0005","18.7042","0.001","26.1341","0.0012","90","","95.801","0.002","90","","4443.5","0.4","121","2","121","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H57 N4 O P Ru -","- C52.5 H53 N4 O P Ru -","- C210 H212 N16 O4 P4 Ru4 -","4","1","","Yunshan Sun; Christian Koehler; Runyu Tan; Vincent T. Annibale; Datong Song","Ester hydrogenation catalyzed by Ru-CNN pincer complexes","Chem.Commun.","2011","47","","8349","","10.1039/c1cc12601f","","","0.71073","MoKα","","0.1035","0.0657","","","0.1609","0.1786","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106686","9.5816","0.0005","12.4509","0.0007","16.5961","0.0009","90","","104.64","0.0007","90","","1915.62","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H44 N4 Ni O5 -","- C46 H44 N4 Ni O5 -","- C92 H88 N8 Ni2 O10 -","2","1","","Jiang Wang; Shengbin Zhou; Daizong Lin; Xiao Ding; Hualiang Jiang; Hong Liu","Highly diastereo- and enantioselective synthesis of syn-B-substituted tryptophans via asymmetric Michael addition of a chiral equivalent of nucleophilic glycine and sulfonylindoles","Chem.Commun.","2011","47","","8355","","10.1039/c1cc12619a","","","0.71073","MoKα","","0.0294","0.0267","","","0.0743","0.076","","","","","","1.066","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106687","77.9421","0.0003","77.9421","0.0003","47.734","0.002","90","","90","","120","","251132","11","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C552 Cl12 Mn12 N24 O76 Zn16 -","- C552 Cl12 Mn12 N24 O76 Zn16 -","- C1656 Cl36 Mn36 N72 O228 Zn48 -","3","0.333333","","Feijie Song; Cheng Wang; Wenbin Lin","A chiral metal-organic framework for tandem asymmetric catalysis","Chem.Commun.","2011","47","","8256","","10.1039/c1cc12701b","","","1.54178","CuKα","","0.1298","0.0982","","","0.2656","0.2943","","","","","","0.837","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106688","8.9026","0.0002","9.2288","0.0002","14.7549","0.0004","90","","90","","90","","1212.27","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N3 O3 -","- C12 H15 N3 O3 -","- C48 H60 N12 O12 -","4","1","","Feijie Song; Cheng Wang; Wenbin Lin","A chiral metal-organic framework for tandem asymmetric catalysis","Chem.Commun.","2011","47","","8256","","10.1039/c1cc12701b","","","1.54178","CuKα","","0.0321","0.032","","","0.0961","0.0962","","","","","","1.175","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106689","8.229","0.006","7.736","0.005","9.953","0.008","90","","97.507","0.018","90","","628.2","0.8","93","2","93","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C6 H8 F4 -","- C6 H8 F4 -","- C24 H32 F16 -","4","0.5","","Alastair Durie; Alexandra Slawin; Tomas Lebl; Peer Kirsch; David O'Hagan","Synthesis and structure of all-syn-1,2,3,4-tetrafluorocyclohexane","Chem.Commun.","2011","47","","8265","","10.1039/c1cc13016a","","","0.71073","MoKα","","0.0477","0.0439","","","0.1173","0.1346","","","","","","1.129","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106690","27.985","0.004","7.0302","0.0009","21.501","0.003","90","","121.062","0.001","90","","3623.6","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H39 N5 O -","- C48 H39 N5 O -","- C192 H156 N20 O4 -","4","0.5","","Christopher; B.; Caputo,; V.; Nicholas; Vukotic,; Natalie; M.; Sirizzotti; and; Stephen; J.; Loeb; Christopher Caputo; V. Nicholas Vukotic; Natalie Sirizzotti; Stephen Loeb","A tetrapyridine ligand with a rigid tetrahedral core forms metal-organic frameworks with PtS type architecture","Chem.Commun.","2011","47","","8545","","10.1039/c1cc12188j","","","0.71073","MoKα","","0.0679","0.0451","","","0.1057","0.1205","","","","","","0.945","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106691","23.308","0.012","13.967","0.007","32.201","0.017","90","","106.519","0.009","90","","10050","9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H106 Cl6 Cu3 N14 O6 -","- C90 H64 Cl6 Cu3 N8 -","- C360 H256 Cl24 Cu12 N32 -","4","0.5","","Christopher; B.; Caputo,; V.; Nicholas; Vukotic,; Natalie; M.; Sirizzotti; and; Stephen; J.; Loeb; Christopher Caputo; V. Nicholas Vukotic; Natalie Sirizzotti; Stephen Loeb","A tetrapyridine ligand with a rigid tetrahedral core forms metal–organic frameworks with PtS type architecture","Chem.Commun.","2011","47","","8545","","10.1039/c1cc12188j","","","0.71073","MoKα","","0.2889","0.0779","","","0.1703","0.2296","","","","","","0.737","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106692","14.995","0.003","30.625","0.007","14.689","0.003","90","","90","","90","","6746","2","173","2","173","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C64.5 H77.5 Cl2 Cu N10.5 O6.5 -","- C45 H32 Cl2 Cu N4 -","- C180 H128 Cl8 Cu4 N16 -","4","0.5","","Christopher; B.; Caputo,; V.; Nicholas; Vukotic,; Natalie; M.; Sirizzotti; and; Stephen; J.; Loeb; Christopher Caputo; V. Nicholas Vukotic; Natalie Sirizzotti; Stephen Loeb","A tetrapyridine ligand with a rigid tetrahedral core forms metal–organic frameworks with PtS type architecture","Chem.Commun.","2011","47","","8545","","10.1039/c1cc12188j","","","0.71073","MoKα","","0.1666","0.0821","","","0.1891","0.2162","","","","","","1.004","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106693","10.4039","0.0004","11.4624","0.0004","12.6741","0.0004","90","","91.861","0.002","90","","1510.64","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H35 N O7 -","- C36 H35 N O7 -","- C72 H70 N2 O14 -","2","1","","Shuting Cai; Shaohua Xiang; Jing Zeng; Bala; Kishan; Gorityala; Xuewei Liu","Facile synthesis of carbohydrate-integrated isoxazolines through tandem [4 + 1] cycloaddition and rearrangement of 2-nitroglycals","Chem.Commun.","2011","47","","8676","","10.1039/c1cc12327k","","","0.71073","MoKα","","0.0507","0.0405","","","0.1015","0.1139","","","","","","1.08","","","","has coordinates,has disorder","180170","2020-10-21","18:00:00",""
"7106694","17.1089","0.0017","17.1317","0.0009","18.7454","0.0009","115.646","0.001","105.043","0.001","92.992","0.001","4697.2","0.6","191","2","191","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H138 Co4 Dy10 N22 O62 S10 -","- C114 H122 Co4 Dy10 N22 O62 S10 -","- C114 H122 Co4 Dy10 N22 O62 S10 -","1","0.5","","Zou, Li-Fei; Zhao, Lang; Guo, Yun-Nan; Yu, Gui-Miao; Guo, Yang; Tang, Jinkui; Li, Yun-Hui","A dodecanuclear heterometallic dysprosium‒cobalt wheel exhibiting single-molecule magnet behaviour","Chemical Communications (Cambridge, United Kingdom)","2011","47","30","8659","8661","10.1039/c1cc12405f","","","0.71073","MoKα","","0.0644","0.0456","","","0.1345","0.152","","","","","","1.022","","","","has coordinates","209789","2020-10-21","18:00:00",""
"7106695","14.9722","0.0003","14.3214","0.0003","32.18","0.0007","90","","90","","90","","6900.1","0.3","298","2","298","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C31 H43 Cl2 O P3 Pd -","- C31 H43 Cl2 O P3 Pd -","- C248 H344 Cl16 O8 P24 Pd8 -","8","1","","Eric J. Derrah; Sonia Ladeira; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","Original Phenyl-P(O) Bond Cleavage at Palladium(0): a Combined Experimental and Computational Study","Chem. Commun.","2011","47","","8611","","10.1039/c1cc12477c","","x-ray","0.71073","MoKα","","0.0789","0.0492","","","0.1089","0.1243","","","","","","1.083","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106696","10.8019","0.0003","10.6151","0.0003","12.6264","0.0003","90","","110.992","0.002","90","","1351.7","0.07","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H15 Br F4 N2 -","- C13 H15 Br F4 N2 -","- C52 H60 Br4 F16 N8 -","4","1","","Michael Muller; Markus Albrecht; Christoph Bannwarth; Gerhard Raabe; Arto Valkonen; Kari Rissanen","From attraction to repulsion: anion-p interactions between bromide and fluorinated phenyl groups","Chem.Commun.","2011","47","","8542","","10.1039/c1cc12667a","","","0.71073","MoKα","","0.0348","0.0311","","","0.0647","0.0661","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106697","7.7372","0.0002","15.5326","0.0003","11.9888","0.0002","90","","94.314","0.002","90","","1436.72","0.05","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Br F3 N2 O -","- C13 H18 Br F3 N2 O -","- C52 H72 Br4 F12 N8 O4 -","4","2","","Michael Muller; Markus Albrecht; Christoph Bannwarth; Gerhard Raabe; Arto Valkonen; Kari Rissanen","From attraction to repulsion: anion-p interactions between bromide and fluorinated phenyl groups","Chem.Commun.","2011","47","","8542","","10.1039/c1cc12667a","","","0.71073","MoKα","","0.0381","0.0312","","","0.0641","0.0666","","","","","","1.087","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106698","6.9739","0.0001","10.8494","0.0002","18.6609","0.0004","90","","92.35","0.001","90","","1410.75","0.04","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Br F2 N2 O -","- C13 H19 Br F2 N2 O -","- C52 H76 Br4 F8 N8 O4 -","4","1","","Michael Muller; Markus Albrecht; Christoph Bannwarth; Gerhard Raabe; Arto Valkonen; Kari Rissanen","From attraction to repulsion: anion-p interactions between bromide and fluorinated phenyl groups","Chem.Commun.","2011","47","","8542","","10.1039/c1cc12667a","","","0.71073","MoKα","","0.0366","0.0285","","","0.0579","0.06","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106699","10.4807","0.0002","10.1629","0.0002","27.0117","0.0005","90","","95.702","0.001","90","","2862.9","0.09","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 Br F3 N2 O0.5 -","- C13 H17 Br F3 N2 O0.5 -","- C104 H136 Br8 F24 N16 O4 -","8","1","","Michael Muller; Markus Albrecht; Christoph Bannwarth; Gerhard Raabe; Arto Valkonen; Kari Rissanen","From attraction to repulsion: anion-p interactions between bromide and fluorinated phenyl groups","Chem.Commun.","2011","47","","8542","","10.1039/c1cc12667a","","","0.71073","MoKα","","0.0572","0.052","","","0.1015","0.1032","","","","","","1.236","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7106700","13.4502","0.0005","6.6042","0.0002","15.5119","0.0006","90","","90.28","0.003","90","","1377.87","0.08","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Br2 F6 N4 O -","- C26 H34 Br2 F6 N4 O -","- C52 H68 Br4 F12 N8 O2 -","2","0.5","","Michael Muller; Markus Albrecht; Christoph Bannwarth; Gerhard Raabe; Arto Valkonen; Kari Rissanen","From attraction to repulsion: anion-p interactions between bromide and fluorinated phenyl groups","Chem.Commun.","2011","47","","8542","","10.1039/c1cc12667a","","","0.71073","MoKα","","0.0401","0.0292","","","0.0611","0.0655","","","","","","1.039","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106701","20.7208","0.0005","7.0528","0.0002","20.7259","0.0005","90","","113.7","0.001","90","","2773.43","0.12","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Br F2 N2 O -","- C13 H19 Br F2 N2 O -","- C104 H152 Br8 F16 N16 O8 -","8","2","","Michael Muller; Markus Albrecht; Christoph Bannwarth; Gerhard Raabe; Arto Valkonen; Kari Rissanen","From attraction to repulsion: anion-p interactions between bromide and fluorinated phenyl groups","Chem.Commun.","2011","47","","8542","","10.1039/c1cc12667a","","","0.71073","MoKα","","0.0481","0.0309","","","0.0601","0.0661","","","","","","1.022","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106702","15.716","0.0005","15.716","0.0005","11.449","0.0005","90","","90","","120","","2448.96","0.15","200","2","200","2","","","","","","","","4","P -3","-P 3","147","","","","- C48 H49 N5 O12 -","- C48 H49 N5 O12 -","- C96 H98 N10 O24 -","2","0.333333","","Ashutosh Sharan Singh; Shih Sheng Sun","Dynamic Self-Assembly of Molecular Capsule via Solvent Polarity Controlled Reversible Binding of Nitrate Anion with C3 Symmetric tripodal Receptor","Chem.Commun.","2011","47","","8563","","10.1039/c1cc12757h","","","0.71073","MoKα","","0.2508","0.1953","","","0.5241","0.5372","","","","","","1.837","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106703","8.7599","0.001","18.61","0.002","14.6625","0.0016","90","","98.28","0.002","90","","2365.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Co3.5 N5 O13.5 -","- C17 H16 Co3.5 N5 O13.5 -","- C68 H64 Co14 N20 O54 -","4","1","","En-Cui Yang; Zhong-Yi Liu; Xiao-Yun Wu; Xiao-Jun Zhao","A 3D CoII framework with alternating vertex- and edge-sharing d-ribbons showing a two-step field-induced magnetic transition","Chem.Commun.","2011","47","","8629","","10.1039/c1cc12796a","","","0.71073","MoKα","","0.0411","0.0363","","","0.0906","0.0938","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106704","21.27","0.011","9.7","0.005","17.118","0.009","90","","90","","90","","3532","3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","Tantalum hydride","Tantalum hydride","","- C24 H64 N9 Ta3 -","- C24 H64 N9 Ta3 -","- C96 H256 N36 Ta12 -","4","1","","Shu-Jian Chen; Juan Li; B.Dougan; C.Steren; Xiaoping Wang; Xue-Tai Chen; Zhenyang Lin; Ziling Xue","Unexpected formation of a trinuclear complex containing a Ta(IV)-Ta(IV) bond in the reactions of ButN[double bond, length as m-dash]Ta(NMe2)3 with silanes","Chem.Commun.","2011","47","","8685","","10.1039/c1cc12837j","","","0.71073","MoKα","","0.0166","0.0158","","","0.0349","0.0351","","","","","","1.02","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106705","9.289","0.004","17.389","0.007","23.143","0.009","90","","90","","90","","3738","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tantalum oxo hydride","Tantalum oxo hydride","","- C24 H64 N9 O Ta3 -","- C24 H64 N9 O Ta3 -","- C96 H256 N36 O4 Ta12 -","4","1","","Shu-Jian Chen; Juan Li; B.Dougan; C.Steren; Xiaoping Wang; Xue-Tai Chen; Zhenyang Lin; Ziling Xue","Unexpected formation of a trinuclear complex containing a Ta(IV)-Ta(IV) bond in the reactions of ButN[double bond, length as m-dash]Ta(NMe2)3 with silanes","Chem.Commun.","2011","47","","8685","","10.1039/c1cc12837j","","","0.71073","MoKα","","0.0404","0.0394","","","0.1076","0.1082","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106706","19.4133","0.0004","19.4133","0.0004","29.968","0.002","90","","90","","90","","11294.2","0.8","93","","93","","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C234 H249 Cl4 N9 Ni2 O59 -","- C234 H208 Cl4 N9 Ni2 O59 -","- C468 H416 Cl8 N18 Ni4 O118 -","2","0.25","","Zhiou Li; Norifumi Kishi; Kimiko Hasegawa; Munetaka Akita; Michito Yoshizawa","A Highly Fluorescent M2L4 Molecular Capsule with an Anthracene Shell","Chem.Commun.","2011","47","","8605","","10.1039/c1cc12946e","","","1.54187","CuKα","","","0.0573","","","","0.1606","","","","","","0.981","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106707","11.737","0.004","12.257","0.004","13.154","0.004","76.707","0.004","78.36","0.004","65.649","0.004","1665.5","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30.74 N6 O1.37 -","- C43 H30.735 N6 O1.367 -","- C86 H61.47 N12 O2.734 -","2","1","","Joshua Akhigbe; John Haskoor; Matthias Zeller; Christian Bruckner","Porpholactams and chlorolactams: Replacement of a b,b'-double bond in meso-tetraphenyl-porphyrin and -chlorin by a lactam moiety","Chem.Commun.","2011","47","","8599","","10.1039/c1cc12955d","","","0.71073","MoKα","","0.1432","0.0861","","","0.2284","0.2608","","","","","","1.049","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106708","11.805","0.002","12.627","0.002","13.46","0.002","107.192","0.002","95.593","0.002","90.383","0.003","1906.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H44 N6 O3 -","- C47 H44 N6 O3 -","- C94 H88 N12 O6 -","2","1","","Joshua Akhigbe; John Haskoor; Matthias Zeller; Christian Bruckner","Porpholactams and chlorolactams: Replacement of a b,b'-double bond in meso-tetraphenyl-porphyrin and -chlorin by a lactam moiety","Chem.Commun.","2011","47","","8599","","10.1039/c1cc12955d","","","0.71073","MoKα","","0.0767","0.0594","","","0.1484","0.164","","","","","","1.064","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106709","6.3503","0.0015","10.384","0.003","12.353","0.003","94.72","0.004","99.884","0.004","100.532","0.004","783.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N5 O -","- C43.0006 H29.0006 N5.0006 O1.0006 -","- C43.0006 H29.0006 N5.0006 O1.0006 -","1","0.5","","Joshua Akhigbe; John Haskoor; Matthias Zeller; Christian Bruckner","Porpholactams and chlorolactams: Replacement of a b,b'-double bond in meso-tetraphenyl-porphyrin and -chlorin by a lactam moiety","Chem.Commun.","2011","47","","8599","","10.1039/c1cc12955d","","","0.71073","MoKα","","0.0984","0.0564","","","0.144","0.1591","","","","","","1.055","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106710","14.038","0.004","13.225","0.004","17.039","0.006","90","","112.242","0.003","90","","2928","1.6","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cu N8 O3 -","- C35 H22 Cu N8 O3 -","- C140 H88 Cu4 N32 O12 -","4","1","","Kikukawa, Yuu; Fukuda, Takamitsu; Fuyuhiro, Akira; Ishikawa, Naoto; Kobayashi, Nagao","Facile one-pot preparation of thermally and photochemically convertible soluble precursors of copper phthalocyanine and naphthalocyanine","Chemical Communications (Cambridge, United Kingdom)","2011","47","30","8518","8520","10.1039/c1cc12970h","","","0.7107","MoKα","","","0.0446","","","","0.1188","","","","","","1.06","","","","has coordinates","210843","2020-10-21","18:00:00",""
"7106711","7.6409","0.0002","15.4848","0.0004","16.7357","0.0004","92.401","0.007","96.431","0.007","99.712","0.007","1935.73","0.1","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cu N8 O4 -","- C50 H30 Cu N8 O4 -","- C100 H60 Cu2 N16 O8 -","2","1","","Kikukawa, Yuu; Fukuda, Takamitsu; Fuyuhiro, Akira; Ishikawa, Naoto; Kobayashi, Nagao","Facile one-pot preparation of thermally and photochemically convertible soluble precursors of copper phthalocyanine and naphthalocyanine","Chemical Communications (Cambridge, United Kingdom)","2011","47","30","8518","8520","10.1039/c1cc12970h","","","0.71075","MoKα","","","0.0506","","","","0.1172","","","","","","1.112","","","","has coordinates","210843","2020-10-21","18:00:00",""
"7106712","14.4991","0.001","15.5113","0.0011","16.0201","0.0011","83.924","0.001","67.417","0.001","71.886","0.001","3161.4","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H62 Cl6 N12 O17 -","- C57 H62 Cl6 N12 O17 -","- C114 H124 Cl12 N24 O34 -","2","1","","Liping Cao; Jun-Gang Wang; Jiao-Yang Ding; Anxin Wu; Lyle Isaacs","Reassembly self-sorting triggered by heterodimerization","Chem.Commun.","2011","47","","8548","","10.1039/c1cc13288a","","","0.71073","MoKα","","0.0843","0.0746","","","0.2021","0.2108","","","","","","1.05","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106713","10.5648","0.001","15.5841","0.0014","16.8119","0.0015","116.766","0.001","97.158","0.002","90.808","0.002","2444.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Cl9 F5 N6 O10 -","- C40 H36 Cl9 F5 N6 O10 -","- C80 H72 Cl18 F10 N12 O20 -","2","1","","Liping Cao; Jun-Gang Wang; Jiao-Yang Ding; Anxin Wu; Lyle Isaacs","Reassembly self-sorting triggered by heterodimerization","Chem.Commun.","2011","47","","8548","","10.1039/c1cc13288a","","","0.71073","MoKα","","0.0834","0.0567","","","0.1414","0.1534","","","","","","0.95","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106714","31.26","0.011","13.333","0.005","27.209","0.01","90","","112.158","0.006","90","","10503","7","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Cl2 F6 N10 O16 -","- C46 H48 Cl2 F6 N10 O16 -","- C368 H384 Cl16 F48 N80 O128 -","8","1","","Liping Cao; Jun-Gang Wang; Jiao-Yang Ding; Anxin Wu; Lyle Isaacs","Reassembly self-sorting triggered by heterodimerization","Chem.Commun.","2011","47","","8548","","10.1039/c1cc13288a","","","0.71073","MoKα","","0.1271","0.0705","","","0.1929","0.2233","","","","","","0.986","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106715","26.553","0.003","26.553","0.003","26.553","0.003","90","","90","","90","","18722","4","293","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C6 O8 Ru2 -","- C6 O8 Ru2 -","- C144 O192 Ru48 -","24","0.125","","Olesia Kozachuk; Kirill Yusenko; Heshmat Noei; Yuemin Wang; Stephan Walleck; Thorsten Glaser; Roland Fischer","Solvothermal growth of a ruthenium metal-organic framework featuring HKUST-1 structure type as thin films on oxide surfaces","Chem.Commun.","2011","47","","8509","","10.1039/c1cc11107h","powder diffraction","","1.54178","CuKα","","0.1823","0.0951","","","0.1372","0.1761","","","4.6","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106716","8.8687","0.0019","10.501","0.002","12.835","0.003","90","","90","","90","","1195.3","0.4","215","2","215","1","100","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,1,2,2-Tetrachloroethane","1,1,2,2-Tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","2","","Maciej Bujak; Dieter Blaser; Andrzej Katrusiak; Roland Boese","Conformational Polymorphs of 1,1,2,2-Tetrachloroethane: Pressure vs.Temperature","Chem.Commun.","2011","47","","8769","","10.1039/c1cc10689a","","","0.71073","MoKα","","0.0298","0.0273","","","0.064","0.0656","","","","","","1.039","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106717","6.1941","0.0009","6.186","0.002","7.361","0.003","90","","104.9","0.02","90","","272.57","0.15","295","2","295","2","650000","","650000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-Tetrachloroethane","1,1,2,2-Tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C4 H4 Cl8 -","2","0.5","","Maciej Bujak; Dieter Blaser; Andrzej Katrusiak; Roland Boese","Conformational Polymorphs of 1,1,2,2-Tetrachloroethane: Pressure vs.Temperature","Chem.Commun.","2011","47","","8769","","10.1039/c1cc10689a","","","0.71073","MoKα","","0.062","0.0598","","","0.1435","0.1469","","","","","","1.174","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7106718","8.966","0.0018","15.54","0.003","40.712","0.008","90.01","0.03","90.28","0.03","90.04","0.03","5672.4","1.9","170","2","170","2","","","","","","","","2","P -1","-P 1","2","","","","- C72 H53 -","- C72 H53 -","- C288 H212 -","4","2","","Youn Sun Kim; Suk Young Bae; Kyung Hwan Kim; Tae Wan Lee; Jung A Hur; Mai Ha Hoang; Min Ju Cho; Sung-Jin Kim; Youngmee Kim; Minsik Kim; Kwangyeol Lee; Suk Joong Lee; Dong Hoon Choi","Highly sensitive phototransistor with crystalline microribbons from new p-extended pyrene derivative via solution-phase self-assembly","Chem.Commun.","2011","47","","8907","","10.1039/c1cc11589h","","","0.71073","MoKα","","0.4805","0.1151","","","0.2078","0.3586","","","","","","0.841","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106719","12.9772","0.0003","14.3714","0.0002","22.68","0.0006","73.075","0.001","79.981","0.001","69.56","0.001","3779.49","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","1","1","","Deepak Asthana; Anil Kumar; Abhishek Pathak; Pradip Kumar Sukul; Sudip Malik; Ratnamala Chatterjee; Satyabrata Patnaik; Kari Rissanen","An all-organic steroid-D-p-A modular design drives ferroelectricity in supramolecular solids and nano-architectures at RT","Chem.Commun.","2011","47","","8928","","10.1039/c1cc12398j","","x-ray","0.71073","MoKα","","0.0824","0.061","","","0.13","0.1427","","","","","","1.03","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106720","26.055","0.004","15.571","0.002","14.686","0.002","90","","90","","90","","5958.1","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2+3cage","","","- C144 H156 N12 O6 -","- C138 H132 N12 -","- C276 H264 N24 -","2","0.5","","Shan Jiang; John Bacsa; Xiaofeng Wu; James T. A. Jones; Robert Dawson; Abbie Trewin; Dave J. Adams; Andrew I. Cooper","Selective gas sorption in a [2+3] 'propeller' cage crystal","Chem.Commun.","2011","47","","8919","","10.1039/c1cc12460a","","","0.71073","MoKα","","0.088","0.0556","","","0.116","0.1262","","","","","","0.949","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106721","10.189","0.003","10.561","0.003","10.74","0.003","96.904","0.004","97.533","0.004","113.838","0.004","1028.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C56 H42 N2 O4 -","2","1","","Xiaolin Pan; Yong Luo; Jie Wu","An unexpected palladium-catalyzed reaction of 2-alkynylhalobenzene with 2-alkynylaniline: A novel and efficient route to 11H-indeno[1,2-c]quinolin-11-ols","Chem.Commun.","2011","47","","8967","","10.1039/c1cc12747k","","","0.71073","MoKα","","0.0814","0.0722","","","0.2058","0.2207","","","","","","1.003","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106722","50.9979","0.0013","13.6827","0.0003","31.7935","0.0008","90","","117.55","0.003","90","","19669.5","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- H90 K Mo12 N9 O102 Te3 V12 -","- K Mo12 N9 O87.7 Te3 V12 -","- K8 Mo96 N72 O701.6 Te24 V96 -","8","1","","Leroy Cronin; Neus Corella Ochoa; Haralampos Miras; Alastair Kidd; De-Liang Long","Assembly of a family of mixed metal {Mo : V} polyoxometalates templated by TeO32-: {Mo12V12Te3}, {Mo12V12Te2} and {Mo17V8Te}","Chem.Commun.","2011","47","","8799","","10.1039/c1cc12782a","","","1.54184","CuKα","","0.0877","0.0712","","","0.1938","0.2172","","","","","","1.085","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106723","23.2791","0.0007","13.3972","0.0004","29.3216","0.0008","90","","93.479","0.002","90","","9127.8","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- H54 K14 Mo12 O102 Te2 V12 -","- K7.3 Mo12 O88.8 Te2 V12 -","- K29.2 Mo48 O355.2 Te8 V48 -","4","0.5","","Leroy Cronin; Neus Corella Ochoa; Haralampos Miras; Alastair Kidd; De-Liang Long","Assembly of a family of mixed metal {Mo : V} polyoxometalates templated by TeO32-: {Mo12V12Te3}, {Mo12V12Te2} and {Mo17V8Te}","Chem.Commun.","2011","47","","8799","","10.1039/c1cc12782a","","","0.71073","MoKα","","0.1186","0.0859","","","0.225","0.254","","","","","","1.055","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106724","15.3491","0.0002","21.2977","0.0002","25.9883","0.0002","90","","90","","90","","8495.59","0.15","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- H30 K10 Mo17 O92 Te V8 -","- K10 Mo17 O90.6 Te V8 -","- K40 Mo68 O362.4 Te4 V32 -","4","0.5","","Leroy Cronin; Neus Corella Ochoa; Haralampos Miras; Alastair Kidd; De-Liang Long","Assembly of a family of mixed metal {Mo : V} polyoxometalates templated by TeO32-: {Mo12V12Te3}, {Mo12V12Te2} and {Mo17V8Te}","Chem.Commun.","2011","47","","8799","","10.1039/c1cc12782a","","","1.54184","CuKα","","0.084","0.0678","","","0.1907","0.2054","","","","","","1.069","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106725","8.806","0.002","9.5007","0.0015","11.49","0.003","90","","111.951","0.014","90","","891.6","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 As N3 O5 Zn -","- C18 H16 As N3 O5 Zn -","- C36 H32 As2 N6 O10 Zn2 -","2","1","","Tian-Hua Zhou; Jian Zhang; Hai-Xia Zhang; Rui Feng; Jiang-Gao Mao","A ligand-conformation driving chiral generation and symmetry-breaking crystallization of a zinc(II) organoarsonate","Chem.Commun.","2011","47","","8862","","10.1039/c1cc12914g","","","0.71073","MoKα","","0.0382","0.0356","","","0.0723","0.0739","","","","","","1.03","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106726","8.806","0.002","9.5007","0.0015","11.49","0.003","90","","111.951","0.014","90","","891.6","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 As N3 O5 Zn -","- C18 H16 As N3 O5 Zn -","- C36 H32 As2 N6 O10 Zn2 -","2","1","","Tian-Hua Zhou; Jian Zhang; Hai-Xia Zhang; Rui Feng; Jiang-Gao Mao","A ligand-conformation driving chiral generation and symmetry-breaking crystallization of a zinc(II) organoarsonate","Chem.Commun.","2011","47","","8862","","10.1039/c1cc12914g","","","0.71073","MoKα","","0.0391","0.0367","","","0.0904","0.094","","","","","","0.669","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106727","11.8236","0.0004","14.8539","0.0003","19.3326","0.0008","90","","93.401","0.002","90","","3389.34","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H52 I N3 Si6 U -","- C18 H52 I N3 Si6 U -","- C72 H208 I4 N12 Si24 U4 -","4","1","","Olivier Benaud; Jean-Claude Berthet; Pierre Thuery; Michel Ephritikhine","Towards high-valent uranium compounds from metallacyclic uranium(IV) precursors","Chem.Commun.","2011","47","","9057","","10.1039/c1cc13112e","","","0.71073","MoKα","","0.0271","0.0219","","","0.0539","0.0553","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106728","15.2539","0.0003","18.705","0.0009","39.6518","0.0017","90","","90","","90","","11313.6","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32.5 H78 N6 Na O7 Si6 U -","- C32.5 H78 N6 Na O7 Si6 U -","- C260 H624 N48 Na8 O56 Si48 U8 -","8","2","","Olivier Benaud; Jean-Claude Berthet; Pierre Thuery; Michel Ephritikhine","Towards high-valent uranium compounds from metallacyclic uranium(IV) precursors","Chem.Commun.","2011","47","","9057","","10.1039/c1cc13112e","","","0.71073","MoKα","","0.0903","0.0489","","","0.1088","0.1209","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106729","16.5673","0.0004","18.2209","0.0005","22.5867","0.0007","90","","90","","90","","6818.3","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H40 I3 N2 O3 Si4 U -","- C18 H40 I3 N2 O3 Si4 U -","- C144 H320 I24 N16 O24 Si32 U8 -","8","1","","Olivier Benaud; Jean-Claude Berthet; Pierre Thuery; Michel Ephritikhine","Towards high-valent uranium compounds from metallacyclic uranium(IV) precursors","Chem.Commun.","2011","47","","9057","","10.1039/c1cc13112e","","","0.71073","MoKα","","0.0809","0.0507","","","0.1315","0.1425","","","","","","1.03","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106730","13.399","0.008","15.484","0.01","20.484","0.012","80.22","0.011","86.058","0.011","75.259","0.01","4049","4","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H82 Cl8 F12 N18 O16 Re4 S4 -","- C50 H82 Cl8 F12 N18 O16 Re4 S4 -","- C100 H164 Cl16 F24 N36 O32 Re8 S8 -","2","1","","Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo","An uncommon highly oxidized multiple bonded Re28+ species","Chem.Commun.","2011","47","","8940","","10.1039/c1cc13193a","","","0.71073","MoKα","","0.0558","0.038","","","0.0891","0.0975","","","","","","1.089","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106731","16.141","0.011","21.623","0.015","24.192","0.017","96.343","0.014","93.555","0.017","97.116","0.004","8303","10","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C163 H177 Cl17 Fe N10 O22 -","- C163 H177 Cl17 Fe N10 O22 -","- C326 H354 Cl34 Fe2 N20 O44 -","2","1","","Nicholas H. Evans; Christopher J. Serpell; Paul D. Beer","A redox-active [3]rotaxane capable of binding and electrochemically sensing chloride and sulfate anions","Chem.Commun.","2011","47","","8775","","10.1039/c1cc13247d","","","0.6889","synchrotron","","0.172","0.1391","","0.3271","0.2982","0.3271","","","","","","0.9297","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106732","11.2757","0.0017","24.849","0.003","8.7892","0.0008","90","","110.468","0.01","90","","2307.2","0.5","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 B2 I2 N4 -","- C16 H30 B2 I2 N4 -","- C64 H120 B8 I8 N16 -","4","0.5","","Scott C. Dorman; Richard A. O'Brien; Adam T. Lewis; E. Alan Salter; Andrzej Wierzbicki; Paul W. Hixon; Richard E. Sykora; Arsalan Mirjafari; James H. Davis","A new building block for electroactive organic materials: Synthesis, cyclic voltammetry, single crystal X-ray structure, and ab initio treatment of a unique boron-based viologen","Chem.Commun.","2011","47","","9072","","10.1039/c1cc12265g","","","0.71073","MoKα","","0.0415","0.0319","","","0.086","0.0909","","","","","","1.05","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106733","14.3594","0.0014","14.9877","0.0014","15.2355","0.0015","91.472","0.001","118.893","0.001","100.73","0.001","2795","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H84 Fe2 N4 Si4 U2 -","- C51 H84 Fe2 N4 Si4 U2 -","- C102 H168 Fe4 N8 Si8 U4 -","2","1","","Marisa J. Monreal; Saeed I. Khan; Jaqueline L. Kiplinger; Paula L. Diaconescu","Molecular quadrangle formation from a diuranium m-e<sup>6</sup>,e<sup>6</sup>-toluene complex","Chem.Commun.","2011","47","","9119","","10.1039/c1cc12367j","","","0.71073","MoKα","","0.0984","0.0522","","","0.0931","0.1098","","","","","","1.003","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106734","35.332","0.007","35.332","0.007","38.836","0.008","90","","90","","120","","41986","15","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H176 Fe4 N16 Si8 U4 -","- C120 H176 Fe4 N16 Si8 U4 -","- C1080 H1584 Fe36 N144 Si72 U36 -","9","0.5","","Marisa J. Monreal; Saeed I. Khan; Jaqueline L. Kiplinger; Paula L. Diaconescu","Molecular quadrangle formation from a diuranium m-e<sup>6</sup>,e<sup>6</sup>-toluene complex","Chem.Commun.","2011","47","","9119","","10.1039/c1cc12367j","","","0.71073","MoKα","","0.0911","0.058","","","0.1442","0.158","","","","","","0.946","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106735","9.1261","0.0014","24.9","0.004","17.165","0.0017","90","","100.71","0.002","90","","3832.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Ni2 P2 -","- C42 H58 Ni2 P2 -","- C168 H232 Ni8 P8 -","4","1","","Robert Beck; Samuel A. Johnson","Mechanistic Implications of an Asymmetric Intermediate in Catalytic C - C Coupling by a Dinuclear Nickel Complex","Chem.Commun.","2011","47","","9233","","10.1039/c1cc12657a","","","0.71073","MoKα","","0.0811","0.0523","","","0.098","0.1123","","","","","","1.06","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106736","11.0185","0.0014","12.6516","0.0017","15.558","0.002","83.474","0.001","70.905","0.001","68.15","0.001","1902.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H58 Ni2 P2 -","- C42 H58 Ni2 P2 -","- C84 H116 Ni4 P4 -","2","1","","Robert Beck; Samuel A. Johnson","Mechanistic Implications of an Asymmetric Intermediate in Catalytic C - C Coupling by a Dinuclear Nickel Complex","Chem.Commun.","2011","47","","9233","","10.1039/c1cc12657a","","","0.71073","MoKα","","0.0582","0.045","","","0.0889","0.096","","","","","","1.093","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106737","10.4776","0.0011","9.5142","0.0008","19.179","0.002","90","","91.553","0.009","90","","1911.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Nadiya Koukabi; Eskandar Kolvari; Ardeshir Khazaei; Mohammad Ali Zolfigol; Behzad Shirmardi-Shahghasemi; Hamid Reza Khavasi","Hantzsch reaction on free nano-Fe2O3 catalyst: excellent reactivity combined with facile catalyst recovery and recyclability","Chem.Commun.","2011","47","","9230","","10.1039/c1cc12693h","","","0.71073","MoKα","","0.1403","0.0646","","","0.1811","0.2117","","","","","","0.911","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106738","27.085","0.006","27.085","0.006","10.329","0.006","90","","90","","120","","6562","4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H20 Mg N10 -","- C26 H20 Mg N10 -","- C234 H180 Mg9 N90 -","9","0.5","","Jian-Bin Lin; Rui-Biao Lin; Xiao-Ning Cheng; Jie-Peng Zhang; Xiao-Ming Chen","Solvent/Additive-Free Synthesis of Porous/Zeolitic Metal Azolate Frameworks from Metal Oxide/Hydroxide","Chem.Commun.","2011","47","","9185","","10.1039/c1cc12763b","","","0.71073","MoKα","","0.2207","0.0751","","","0.1265","0.1444","","","","","","1","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106739","27.214","0.009","27.214","0.009","10.206","0.006","90","","90","","120","","6546","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H20 N10 Zn -","- C26 H20 N10 Zn -","- C234 H180 N90 Zn9 -","9","0.5","","Jian-Bin Lin; Rui-Biao Lin; Xiao-Ning Cheng; Jie-Peng Zhang; Xiao-Ming Chen","Solvent/Additive-Free Synthesis of Porous/Zeolitic Metal Azolate Frameworks from Metal Oxide/Hydroxide","Chem.Commun.","2011","47","","9185","","10.1039/c1cc12763b","","","0.71073","MoKα","","0.1204","0.068","","","0.1181","0.13","","","","","","1.008","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106740","7.9467","0.0005","11.6001","0.0008","29.75","0.002","90","","92.939","0.001","90","","2738.8","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Mg N10 O4 -","- C26 H28 Mg N10 O4 -","- C104 H112 Mg4 N40 O16 -","4","1","","Jian-Bin Lin; Rui-Biao Lin; Xiao-Ning Cheng; Jie-Peng Zhang; Xiao-Ming Chen","Solvent/Additive-Free Synthesis of Porous/Zeolitic Metal Azolate Frameworks from Metal Oxide/Hydroxide","Chem.Commun.","2011","47","","9185","","10.1039/c1cc12763b","","","0.71073","MoKα","","0.101","0.0633","","","0.1619","0.1958","","","","","","1.002","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106741","10.1308","0.0002","10.4122","0.0002","14.4298","0.0004","100.864","0.001","95.568","0.001","118.654","0.001","1280.37","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H44 B N O2 Si2 Sr -","- C17 H44 B N O2 Si2 Sr -","- C34 H88 B2 N2 O4 Si4 Sr2 -","2","1","","Peter Bellham; Michael S. Hill; David J. Liptrot; Dugald J. MacDougall; Mary F. Mahon","Alkylstrontium diamidoboranes: B-hydride elimination and Sr-C insertion","Chem.Commun.","2011","47","","9060","","10.1039/c1cc12825f","","","0.71073","MoKα","","0.0439","0.0373","","","0.0928","0.0972","","","","","","1.076","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106742","21.8033","0.0004","16.4269","0.0003","22.7565","0.0005","90","","103.155","0.001","90","","7936.6","0.3","100","","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H39 Cl3.88 N5 O4 Pd1.94 -","- C38 H39 Cl3.882 N5 O4 Pd1.941 -","- C304 H312 Cl31.056 N40 O32 Pd15.528 -","8","1","","Shyamaprosad Goswami; Debabrata Sen; Nirmal Kumar Das; Hoong-Kun Fun; Ching Kheng Quah","A new rhodamine based colorimetric 'off-on' fluorescence sensor selective for Pd2+ along with the first bound X-ray crystal structure","Chem.Commun.","2011","47","","9101","","10.1039/c1cc12845k","","","0.71073","MoKα","","0.1956","0.1176","","","0.2851","0.3417","","","","","","1.032","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106743","11.4057","0.0005","12.5265","0.0005","20.1978","0.0008","75.491","0.001","89.626","0.001","66.936","0.001","2556.76","0.18","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H49 B2 Cu2 F8 N4 O P3 -","- C54 H49 B2 Cu2 F8 N4 O P3 -","- C108 H98 B4 Cu4 F16 N8 O2 P6 -","2","1","","Yang-Juan Li; Zhi-Ying Deng; Xue-Fei Xu; Hua-Bin Wu; Ze-Xing Cao; Quan-Ming Wang","Methanol triggered ligand flip isomerization in a binuclear copper(I) complex and the luminescence response","Chem.Commun.","2011","47","","9179","","10.1039/c1cc12857d","","","0.71073","MoKα","","0.0536","0.0476","","","0.13","0.1339","","","","","","1.034","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106744","20.4586","0.0008","20.4586","0.0008","80.37","0.003","90","","90","","120","","29132.4","1.9","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C66 H36 O13 Zn4 -","- C66 H36 O13 Zn4 -","- C792 H432 O156 Zn48 -","12","0.333333","","Jiangtao Jia; Fuxing Sun; Qianrong Fang; Xiaoqiang Liang; Kun Cai; Zheng Bian; Huijun Zhao; Lianxun Gao; Guangshan Zhu","A novel low density metal-organic framework with pcu topology by dendritic ligand","Chem.Commun.","2011","47","","9167","","10.1039/c1cc12891d","","","0.71073","MoKα","","0.0877","0.0743","","","0.2258","0.2375","","","","","","1.061","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106745","6.7618","0.0002","24.1817","0.0007","13.4445","0.0004","90","","90","","90","","2198.33","0.11","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H22 Cl2 N4 O3 Pt -","- C22 H22 Cl2 N4 O3 Pt -","- C88 H88 Cl8 N16 O12 Pt4 -","4","0.5","","Kai Li; Xiangguo Guan; Chun-Wah Ma; Wei Lu; Yong Chen; Chi-Ming Che","Blue electrophosphorescent organoplatinum(II) complexes with dianionic tetradentate bis(carbene) ligands","Chem.Commun.","2011","47","","9075","","10.1039/c1cc12943k","","","1.54178","CuKα","","0.0517","0.0421","","","0.0939","0.0968","","","","","","1.191","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106746","19.5796","0.0018","38.647","0.004","15.6623","0.0016","90","","90","","90","","11852","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","S56","","","- C110 H157 Cl Fe2 Gd2 N8 O18 -","- C110 H150 Cl Fe2 Gd2 N8 O18 -","- C440 H600 Cl4 Fe8 Gd8 N32 O72 -","4","0.5","","Sergio Sanz; Kerry Ferreira; Ruaraidh McIntosh; Scott Dalgarno; Euan Brechin","Calixarene-supported FeIII2LnIII2 clusters","Chem.Commun.","2011","47","","9042","","10.1039/c1cc13055b","","","0.71073","MoKα","","0.098","0.0507","","","0.106","0.1194","","","","","","0.951","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106747","19.596","0.0009","38.5567","0.0017","15.7077","0.0007","90","","90","","90","","11868.1","0.9","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","S117","","","- C110 H157 Cl Fe2 N8 O18 Tb2 -","- C110 H150 Cl Fe2 N8 O18 Tb2 -","- C440 H600 Cl4 Fe8 N32 O72 Tb8 -","4","0.5","","Sergio Sanz; Kerry Ferreira; Ruaraidh McIntosh; Scott Dalgarno; Euan Brechin","Calixarene-supported FeIII2LnIII2 clusters","Chem.Commun.","2011","47","","9042","","10.1039/c1cc13055b","","","0.71073","MoKα","","0.0497","0.0414","","","0.1192","0.1233","","","","","","1.224","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106748","19.5864","0.0013","38.56","0.002","15.7383","0.001","90","","90","","90","","11886.4","1.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","S124","","","- C110 H157 Cl Dy2 Fe2 N8 O18 -","- C110 H150 Cl Dy2 Fe2 N8 O18 -","- C440 H600 Cl4 Dy8 Fe8 N32 O72 -","4","0.5","","Sergio Sanz; Kerry Ferreira; Ruaraidh McIntosh; Scott Dalgarno; Euan Brechin","Calixarene-supported FeIII2LnIII2 clusters","Chem.Commun.","2011","47","","9042","","10.1039/c1cc13055b","","","0.71073","MoKα","","0.0635","0.0507","","","0.1168","0.1218","","","","","","1.112","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106749","14.459","0.003","15.275","0.003","16.847","0.004","63.054","0.003","79.702","0.003","66.638","0.003","3045","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H97 B3 N4 O2 P2 -","- C62 H97 B3 N4 O2 P2 -","- C124 H194 B6 N8 O4 P4 -","2","1","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Diphosphorus: Bidentate Complexation of BH2+","Chem.Commun.","2011","47","","9224","","10.1039/c1cc13224e","","","0.71073","MoKα","","0.0767","0.0561","","","0.1404","0.1535","","","","","","1.036","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106750","6.1135","0.0002","7.523","0.0003","30.9381","0.0013","90","","90","","90","","1422.9","0.09","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Qian Wu; Dongbing Zhao; Xurong Qin; Jingbo Lan; Jingsong You","Synthesis of di(hetero)aryl sulfides by directly using arylsulfonyl chlorides as a sulfur source","Chem.Commun.","2011","47","","9188","","10.1039/c1cc13633j","","x-ray","0.71073","MoKα","","0.0404","0.0371","","","0.0965","0.0976","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106751","8.902","0.0018","12.345","0.003","24.222","0.005","90","","90","","90","","2661.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O4 -","- C31 H39 N O4 -","- C124 H156 N4 O16 -","4","1","","Ye Ding; Zhangjian Huang; Jian Yin; Yisheng Lai; Shibo Zhang; Zhiguo Zhang; Lei Fang; Sixun Peng; Yihua Zhang","DDQ-promoted dehydrogenation from natural rigid polycyclic acids or flexible alkyl acids to generate lactones by a radical ion mechanism","Chem.Commun.","2011","47","","9495","","10.1039/c1cc11633a","","","0.71073","MoKα","","0.1212","0.0702","","","0.1562","0.1942","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106752","12.0783","0.0013","26.163","0.003","7.354","0.0008","90","","102.526","0.002","90","","2268.6","0.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 Cl D5 N5 Ni S4 -","- C20 H6 Cl D5 N5 Ni S4 -","- C80 H24 Cl4 D20 N20 Ni4 S16 -","4","1","","Guo-Jun Yuan; Can Wang; XiaoMing Ren; Jian-Lan Liu","Unexpected isotopic effect of a deuteriumed countercation on the spin-Peierls-type transitions in quasi-one-dimensional bis(maleonitriledithiolato)nickelate monoanion spin systems","Chem.Commun.","2011","47","","9489","","10.1039/c1cc12221e","","","0.71073","MoKα","","0.0595","0.0516","","","0.1277","0.132","","","","","","1.067","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106753","12.0244","0.0017","26.253","0.004","7.4047","0.001","90","","102.646","0.003","90","","2280.8","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 Br D5 N5 Ni S4 -","- C20 H6 Br D5 N5 Ni S4 -","- C80 H24 Br4 D20 N20 Ni4 S16 -","4","1","","Guo-Jun Yuan; Can Wang; XiaoMing Ren; Jian-Lan Liu","Unexpected isotopic effect of a deuteriumed countercation on the spin-Peierls-type transitions in quasi-one-dimensional bis(maleonitriledithiolato)nickelate monoanion spin systems","Chem.Commun.","2011","47","","9489","","10.1039/c1cc12221e","","","0.71073","MoKα","","0.0932","0.0716","","","0.1631","0.1728","","","","","","1.001","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106754","7.259","0.0015","12.042","0.002","26.147","0.005","88.54","0.03","86.73","0.03","77.42","0.03","2226.9","0.8","95","2","95","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H6 Br D5 N5 Ni S4 -","- C20 H6 Br D5 N5 Ni S4 -","- C80 H24 Br4 D20 N20 Ni4 S16 -","4","2","","Guo-Jun Yuan; Can Wang; XiaoMing Ren; Jian-Lan Liu","Unexpected isotopic effect of a deuteriumed countercation on the spin-Peierls-type transitions in quasi-one-dimensional bis(maleonitriledithiolato)nickelate monoanion spin systems","Chem.Commun.","2011","47","","9489","","10.1039/c1cc12221e","","","0.71073","MoKα","","0.2736","0.2664","","","0.5616","0.5639","","","","","","1.141","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106755","7.2039","0.0014","12.095","0.002","26.005","0.005","88.53","0.03","86.86","0.03","77.42","0.03","2207.9","0.8","95","2","95","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H6 Cl D5 N5 Ni S4 -","- C20 H6 Cl D5 N5 Ni S4 -","- C80 H24 Cl4 D20 N20 Ni4 S16 -","4","2","","Guo-Jun Yuan; Can Wang; XiaoMing Ren; Jian-Lan Liu","Unexpected isotopic effect of a deuteriumed countercation on the spin-Peierls-type transitions in quasi-one-dimensional bis(maleonitriledithiolato)nickelate monoanion spin systems","Chem.Commun.","2011","47","","9489","","10.1039/c1cc12221e","","","0.71073","MoKα","","0.2819","0.2689","","","0.5764","0.582","","","","","","1.099","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106756","25.6242","0.0017","14.3236","0.0009","25.0786","0.0016","90","","103.088","0.001","90","","8965.5","1","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C22 H124 Cu5.5 N22 Nb12 O60 V3 -","- C22 H87 Cu5.5 N22 Nb12 O60 V3 -","- C88 H348 Cu22 N88 Nb48 O240 V12 -","4","1","","Guiling Guo; Yanqing Xu; Jie Cao; Changwen Hu","An unprecedented vanadoniobate cluster with 'trans-vanadium' bicapped Keggin-type {VNb12O40(VO)2}","Chem.Commun.","2011","47","","9411","","10.1039/c1cc12329g","","","0.71073","MoKα","","0.0438","0.0394","","","0.1036","0.1079","","","","","","1.096","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106757","12.861","0.0011","13.3752","0.0011","27.481","0.002","80.932","0.001","80.065","0.001","64.331","0.001","4178.5","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H90 Cu4.5 N18 Nb12 O51 V3 -","- C34 H72 Cu4.5 N18 Nb12 O51 V3 -","- C68 H144 Cu9 N36 Nb24 O102 V6 -","2","1","","Guiling Guo; Yanqing Xu; Jie Cao; Changwen Hu","An unprecedented vanadoniobate cluster with 'trans-vanadium' bicapped Keggin-type {VNb12O40(VO)2}","Chem.Commun.","2011","47","","9411","","10.1039/c1cc12329g","","","0.71073","MoKα","","0.0882","0.0622","","","0.2038","0.2928","","","","","","1.139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106758","14.1884","0.0009","14.0217","0.0009","17.8732","0.001","90","","91.4405","0.0015","90","","3554.7","0.4","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NdFeDMA Excited state","NdFeDMA Excited state","","- C22 H50 Fe N10 Nd O11 -","- C22 H41.4474 Fe N10 Nd O11 -","- C88 H165.79 Fe4 N40 Nd4 O44 -","4","1","","Helle; Svendsen,; Jacob; Overgaard,; Yu-Sheng; Chen; Bo; B.; Iversen","A photo-induced excited state structure of a hetero-bimetallic ionic pair complex, Nd(DMA)4(H2O)4Fe(CN)6·3H2O, analyzed by single crystal X-ray diffraction","Chem.Commun.","2011","47","","9486","","10.1039/c1cc12626a","","","0.41328","synchrotron","","0.1271","0.0642","","","0.143","0.1497","","","","","","1.536","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106759","14.3639","0.0013","14.0753","0.0013","17.8029","0.0014","90","","91.295","0.002","90","","3598.4","0.5","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NdFeDMA Ground State","NdFeDMA Ground State","","- C22 H50 Fe N10 Nd O11 -","- C22 H50 Fe N10 Nd O11 -","- C88 H200 Fe4 N40 Nd4 O44 -","4","1","","Helle; Svendsen,; Overgaard,; Chen; and; Iversen","A photo-induced excited state structure of a hetero-bimetallic ionic pair complex, Nd(DMA)4(H2O)4Fe(CN)6·3H2O, analyzed by single crystal X-ray diffraction","Chem.Commun.","2011","47","","9486","","10.1039/c1cc12626a","","","0.41328","synchrotron","","0.0499","0.0303","","","0.0723","0.0764","","","","","","1.049","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106760","21.7244","0.0011","23.0038","0.0012","26.0496","0.0012","78.508","0.003","85.923","0.003","85.565","0.003","12698.3","1.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C358 H399 Ce8 N75 O93 -","- C358 H196 Ce8 N75 O93 -","- C358 H196 Ce8 N75 O93 -","1","0.5","","Liang Zhao; Cheng He; Rong Zhang; Chun-ying Duan","Face-driven octanuclear cerium(IV) luminescence polyhedra: synthesis and luminescent sensing natural saccharides","Chem.Commun.","2011","47","","9387","","10.1039/c1cc12766g","","","0.71073","MoKα","","0.1942","0.0768","","","0.1823","0.2045","","","","","","0.911","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106761","27.928","0.003","29.218","0.003","31.579","0.003","91.857","0.006","97.731","0.006","95.082","0.006","25408","5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C380 H382 Ce8 N62 O80 -","- C380.03 H362.82 Ce8 N62.01 O80.01 -","- C760.06 H725.64 Ce16 N124.02 O160.02 -","2","1","","Liang Zhao; Cheng He; Rong Zhang; Chun-ying Duan","Face-driven octanuclear cerium(IV) luminescence polyhedra: synthesis and luminescent sensing natural saccharides","Chem.Commun.","2011","47","","9387","","10.1039/c1cc12766g","","","0.71073","MoKα","","0.3509","0.1189","","","0.2542","0.3634","","","","","","0.906","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106762","14.47","0.004","10.78","0.004","19.921","0.007","90","","108.253","0.015","90","","2951.1","1.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 B F2 N2 O2 -","- C35 H33 B F2 N2 O2 -","- C140 H132 B4 F8 N8 O8 -","4","1","","Hiromitsu Maeda; Kanako Kitaguchi; Yohei Haketa","Anion-responsive covalently linked and metal-ridged oligomers","Chem.Commun.","2011","47","","9342","","10.1039/c1cc12822a","","","0.71075","MoK_a","","0.1207","0.0687","","","0.1607","0.1878","","","","","","1.05","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106763","12.211","0.005","13.253","0.005","16.614","0.005","102.298","0.014","97.612","0.013","105.9","0.015","2473.8","1.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 B F2 N2 O2 -","- C27 H29 B F2 N2 O2 -","- C108 H116 B4 F8 N8 O8 -","4","2","","Hiromitsu Maeda; Kanako Kitaguchi; Yohei Haketa","Anion-responsive covalently linked and metal-ridged oligomers","Chem.Commun.","2011","47","","9342","","10.1039/c1cc12822a","","","0.71075","MoK_a","","0.0726","0.0532","","","0.1552","0.1699","","","","","","0.926","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106764","9.38","0.013","9.727","0.017","35.17","0.04","89.33","0.06","84.28","0.04","63.89","0.06","2865","7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H33 B F2 N2 O2 -","- C35 H33 B F2 N2 O2 -","- C140 H132 B4 F8 N8 O8 -","4","2","","Hiromitsu Maeda; Kanako Kitaguchi; Yohei Haketa","Anion-responsive covalently linked and metal-ridged oligomers","Chem.Commun.","2011","47","","9342","","10.1039/c1cc12822a","","","0.71075","MoK_a","","0.1089","0.0699","","","0.1593","0.1833","","","","","","1.057","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106765","29.692","0.005","23.863","0.004","16.66","0.003","90","","93.025","0.003","90","","11788","4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H56 B2 F4 N4 O4 -","- C54 H56 B2 F4 N4 O4 -","- C432 H448 B16 F32 N32 O32 -","8","2","","Hiromitsu Maeda; Kanako Kitaguchi; Yohei Haketa","Anion-responsive covalently linked and metal-ridged oligomers","Chem.Commun.","2011","47","","9342","","10.1039/c1cc12822a","","","0.71073","MoK_a","","0.1232","0.0663","","","0.1642","0.1829","","","","","","0.916","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106766","9.681","0.007","9.695","0.007","22.899","0.014","95.21","0.02","91.74","0.02","92.92","0.03","2136","3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H128 B2 Cl2 F4 N6 O4.75 -","- C86 H128 B2 Cl2 F4 N6 O4.746 -","- C86 H128 B2 Cl2 F4 N6 O4.746 -","1","0.5","","Hiromitsu Maeda; Kanako Kitaguchi; Yohei Haketa","Anion-responsive covalently linked and metal-ridged oligomers","Chem.Commun.","2011","47","","9342","","10.1039/c1cc12822a","","","0.71075","MoK_a","","0.1354","0.0698","","","0.1809","0.2345","","","","","","0.958","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106767","14.226","0.002","19.13","0.003","19.557","0.004","90","","90","","90","","5322.3","1.6","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C60 H68 B2 Cl0 F4 N4 O6 -","- C60 H68 B2 F4 N4 O6 -","- C240 H272 B8 F16 N16 O24 -","4","0.5","","Hiromitsu Maeda; Kanako Kitaguchi; Yohei Haketa","Anion-responsive covalently linked and metal-ridged oligomers","Chem.Commun.","2011","47","","9342","","10.1039/c1cc12822a","","","0.71075","MoK_a","","0.0871","0.0498","","","0.1131","0.129","","","","","","1.033","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106768","18.6018","0.0016","18.6018","0.0016","42.963","0.004","90","","90","","120","","12875","2","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C68 H62 Cu2 N2 O14 -","- C68 H62 Cu2 N2 O14 -","- C408 H372 Cu12 N12 O84 -","6","1","","Sung Min Shin; Kyung Seok Jeong; Jaheon Kim; Praveen K. Thallapally; Nakcheol Jeong","Homochiral 3D Metal-Organic Frameworks from Chiral 1D Rods: 6-Way Helical Packing","Chem.Commun.","2011","47","","9402","","10.1039/c1cc12908b","","","0.71073","mokα","","0.1074","0.0704","","","0.1481","0.1612","","","","","","0.898","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106769","16.7458","0.0007","10.5063","0.0005","12.7529","0.0006","90","","112.534","0.002","90","","2072.4","0.17","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H18 Cu N0 O7 -","- C21 H18 Cu O7 -","- C84 H72 Cu4 O28 -","4","1","","Sung Min Shin; Kyung Seok Jeong; Jaheon Kim; Praveen K. Thallapally; Nakcheol Jeong","Homochiral 3D Metal-Organic Frameworks from Chiral 1D Rods: 6-Way Helical Packing","Chem.Commun.","2011","47","","9402","","10.1039/c1cc12908b","","","0.71073","mokα","","0.0917","0.0758","","","0.1981","0.2128","","","","","","1.014","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106770","7.4121","0.0003","10.3132","0.0005","17.9686","0.0009","87.702","0.004","78.851","0.004","70.945","0.004","1273.41","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N2 O9 Zn2 -","- C29 H22 N2 O9 Zn2 -","- C58 H44 N4 O18 Zn4 -","2","1","","Ou, Yong-Cong; Liu, Wen-Ting; Li, Jin-Yan; Zhang, Gong-Guo; Wang, Jing; Tong, Ming-Liang","Solvochromic and photodimerization behaviour of 1D coordination polymer via single-crystal-to-single-crystal transformation","Chemical Communications (Cambridge, United Kingdom)","2011","47","33","9384","9386","10.1039/c1cc13018h","","","1.54178","CuKα","","0.048","0.0337","","","0.0806","0.0846","","","","","","0.942","","","","has coordinates","288009","2023-12-04","16:25:13",""
"7106771","7.459","0.0013","10.2832","0.0019","18.147","0.004","87.364","0.007","78.654","0.005","69.94","0.005","1281.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N2 O8 Zn2 -","- C28 H18 N2 O8 Zn2 -","- C56 H36 N4 O16 Zn4 -","2","1","","Ou, Yong-Cong; Liu, Wen-Ting; Li, Jin-Yan; Zhang, Gong-Guo; Wang, Jing; Tong, Ming-Liang","Solvochromic and photodimerization behaviour of 1D coordination polymer via single-crystal-to-single-crystal transformation","Chemical Communications (Cambridge, United Kingdom)","2011","47","33","9384","9386","10.1039/c1cc13018h","","","0.71073","MoKα","","0.1316","0.0677","","","0.1601","0.2414","","","","","","1.151","","","","has coordinates","288009","2023-12-04","16:25:23",""
"7106772","7.411","0.0006","10.401","0.0009","17.9912","0.0016","87.328","0.007","79.948","0.007","70.513","0.007","1287.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N2 O8.5 Zn2 -","- C30 H23 N2 O8.5 Zn2 -","- C60 H46 N4 O17 Zn4 -","2","1","","Ou, Yong-Cong; Liu, Wen-Ting; Li, Jin-Yan; Zhang, Gong-Guo; Wang, Jing; Tong, Ming-Liang","Solvochromic and photodimerization behaviour of 1D coordination polymer via single-crystal-to-single-crystal transformation","Chemical Communications (Cambridge, United Kingdom)","2011","47","33","9384","9386","10.1039/c1cc13018h","","","1.54178","CuKα","","0.1273","0.0994","","","0.27","0.285","","","","","","1.182","","","","has coordinates,has disorder","288009","2023-12-04","16:25:26",""
"7106773","7.4502","0.0006","10.2325","0.0008","17.649","0.0015","85.944","0.007","82.19","0.007","70.351","0.007","1254.91","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N2 O8 Zn2 -","- C28 H18 N2 O8 Zn2 -","- C56 H36 N4 O16 Zn4 -","2","1","","Ou, Yong-Cong; Liu, Wen-Ting; Li, Jin-Yan; Zhang, Gong-Guo; Wang, Jing; Tong, Ming-Liang","Solvochromic and photodimerization behaviour of 1D coordination polymer via single-crystal-to-single-crystal transformation","Chemical Communications (Cambridge, United Kingdom)","2011","47","33","9384","9386","10.1039/c1cc13018h","","","1.54178","CuKα","","0.0891","0.0759","","","0.2073","0.2185","","","","","","1.037","","","","has coordinates","288009","2023-12-04","16:25:28",""
"7106774","22.857","0.006","10.653","0.003","28.098","0.007","90","","104.121","0.005","90","","6635","3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 B N2 -","- C36 H34 B N2 -","- C288 H272 B8 N16 -","8","1","","Chul Baik; Suning Wang","Inhibiting olefin cis, trans-photoisomerization and enhancing electron-accepting ability of a diboryl compound by metal chelation","Chem.Commun.","2011","47","","9432","9434","10.1039/C1CC13054D","","","0.71073","MoKα","","0.227","0.0785","","","0.1686","0.2173","","","","","","0.797","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106775","13.69","0.002","13.972","0.002","30.064","0.004","90","","93.1108","0.0019","90","","5742.1","1.4","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CB10+ xylenediammonium diiodide hydrate","CB10+ bis-p-xylenediammonium diiodide octadecahydrate","","- C84 H136 I4 N48 O40 -","- C84 H136 I4 N48 O40 -","- C168 H272 I8 N96 O80 -","2","0.5","","James B. Wittenberg; Matthew G. Costales; Peter Y. Zavalij; Lyle Isaacs","A Clipped [3]Rotaxane Derived From Bis-nor-seco-Cucurbit[10]uril","Chem.Commun.","2011","47","","9420","","10.1039/c1cc13358f","","","0.71073","MoKα","","0.0618","0.046","","","0.0953","0.0994","","","","","","1","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106776","10.296","0.009","10.399","0.009","10.734","0.009","102.196","0.009","118.201","0.005","105.442","0.003","896.1","1.3","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Br N -","- C22 H18 Br N -","- C44 H36 Br2 N2 -","2","1","","Rupam Sarma; Dipak Prajapati","Indium catalyzed tandem hydroamination/hydroalkylation of terminal alkynes","Chem.Commun.","2011","47","","9525","","10.1039/c1cc13486h","","","0.71075","MoKα","","","0.0442","","","","0.0428","","","","","","6.391","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7106777","12.923","0.0007","7.439","0.0012","30.766","0.002","90","","90","","90","","2957.7","0.5","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Eliska Matousova; Ales Ruzicka; Jiri Kunes; Jarmila Kralova; Milan Pour","TFP as a ligand in Au(I)-catalyzed dihydropyran synthesis. Unprecedented rearrangement of dihydropyrans into cyclopentenones","Chem.Commun.","2011","47","","9390","","10.1039/c1cc13525b","","","0.71073","MoKα","","0.0853","0.0548","","","0.1065","0.1215","","","","","","1.14","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106778","33.7312","0.0006","33.7312","0.0006","33.7312","0.0006","90","","90","","90","","38379.2","1.2","160","1","160","1","","","","","","","","7","P -4 3 n","P -4n 2 3","218","","","","- C168 H132 Cu3 F18 N12 O6 P3 -","- C168 H132 Cu3 F18.19 N12 O6 P2.99 -","- C1344 H1056 Cu24 F145.52 N96 O48 P23.92 -","8","0.333333","","Karla I. Arias; Eli Zysman-Colman; Jon C. Loren; Anthony Linden; Jay S. Siegel","Synthesis of a D3 Symmetric Trefoil Knotted Cyclophane","Chem.Commun.","2011","47","","9588","","10.1039/c1cc11209k","","","0.71073","MoKα","","0.3009","0.208","","","0.4008","0.4291","","","","","","2.2","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106779","15.18","0.002","15.18","0.002","27.583","0.006","90","","90","","120","","5504.5","1.6","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C33 H33 N15 -","- C33 H33 N15 -","- C198 H198 N90 -","6","0.333333","","Li-Xia Wang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis of 1,3,5-alternate azacalix[3]pyridine[3]pyrimidine and its complexation with fullerenes via multiple p/p and CH/p interactions","Chem.Commun.","2011","47","","9690","","10.1039/c1cc11514f","","","0.71069","MoKα","","0.11","0.0783","","","0.1914","0.2049","","","","","","1.033","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106780","15.117","0.002","15.117","0.002","88.648","0.018","90","","90","","120","","17544","5","173","2","173","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C126 H66 N30 -","- C153 H66 N30 -","- C918 H396 N180 -","6","0.166667","","Li-Xia Wang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis of 1,3,5-alternate azacalix[3]pyridine[3]pyrimidine and its complexation with fullerenes via multiple p/p and CH/p interactions","Chem.Commun.","2011","47","","9690","","10.1039/c1cc11514f","","","0.71073","MoKα","","0.1808","0.1791","","","0.5182","0.519","","","","","","2.605","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106781","35.597","0.0015","24.2342","0.0008","31.2247","0.0017","90","","111.755","0.005","90","","25018","2","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C263 H348 Cd Dy2 N32 O39 -","- C263 H348 Cd Dy2 N32 O39 -","- C1052 H1392 Cd4 Dy8 N128 O156 -","4","1","","Hailong Wang; Kang Qian; Kang Wang; Yongzhong Bian; Jianzhuang Jiang; Song Gao","Sandwich-type Tetrakis(phthalocyaninato) Dysprosium-cadmium Quadruple-decker SMM","Chem.Commun.","2011","47","","9624","","10.1039/c1cc12509e","","","1.54184","CuKα","","0.2538","0.1117","","","0.2493","0.3535","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106782","7.036","0.002","27.191","0.009","7.8","0.003","90","","108.73","0.004","90","","1413.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N S -","- C17 H14 F N S -","- C68 H56 F4 N4 S4 -","4","1","","Guanyinsheng Qiu; Yi Hu; Qiuping Ding; Yiyuan; Peng; Xiangzheng Hu; Jie Wu","Synthesis of 4-methylene-4H-benzo[d][1,3]thiazines via a tandem reaction of 1-(2-alkynylphenyl)ketoxime with Lawesson's reagent","Chem.Commun.","2011","47","","9708","","10.1039/c1cc12937f","","","0.71073","MoKα","","0.0519","0.0444","","","0.1148","0.1211","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106783","7.4449","0.001","15.105","0.002","23.962","0.004","90","","90","","90","","2694.7","0.7","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C112 H104 O8 -","4","1","","Pierre Mobian; Clarisse Huguenard; Marc Henry","A guest-induced reversible switching of a self-assembled H-bonded supramolecular framework","Chem.Commun.","2011","47","","9630","","10.1039/c1cc13124a","","","0.71073","MoKα","","0.1428","0.0931","","","0.2389","0.2723","","","","","","0.998","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7106784","7.9028","0.0012","18.958","0.002","28.683","0.005","90","","91.06","0.003","90","","4296.6","1.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C224 H208 O16 -","8","2","","Pierre Mobian; Clarisse Huguenard; Marc Henry","A guest-induced reversible switching of a self-assembled H-bonded supramolecular framework","Chem.Commun.","2011","47","","9630","","10.1039/c1cc13124a","","","0.71073","MoKα","","0.124","0.0544","","","0.1297","0.1606","","","","","","1.006","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106785","13.9007","0.0006","7.1927","0.0005","19.9931","0.0012","90","","106.473","0.003","90","","1916.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H27 Al F N3 O6 -","- C17 H27 Al F N3 O6 -","- C68 H108 Al4 F4 N12 O24 -","4","1","","Dinesh Shetty; Soo Young Choi; Jae Jeong; Ji Youn Lee; Lathika Hoigebazar; Yun-Sang Lee; Dong Soo Lee; June-Key Chung; Myung Chul Lee; Young Keun Chung","Stable aluminium fluoride chelates with triazacyclononane derivatives proved by X-ray crystallography and 18F-labeling study","Chem.Commun.","2011","47","","9732","","10.1039/c1cc13151f","","","0.71073","MoKα","","0.0905","0.0499","","","0.1051","0.1222","","","","","","1.008","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106786","12.7107","0.0002","14.1983","0.0001","24.5773","0.0013","86.648","0.008","89.389","0.008","63.635","0.006","3966.7","0.3","153","1","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H80 Cl8 N2 O Ru -","- C92 H80 Cl8 N2 O Ru -","- C184 H160 Cl16 N4 O2 Ru2 -","2","1","","Tetsuaki Fujihara; Yoshikazu Tomike; Toshiyuki Ohtake; Jun Terao; Yasushi Tsuji","Ruthenium-catalyzed ring-closing metathesis accelerated by long-range steric effect","Chem.Commun.","2011","47","","9699","","10.1039/c1cc13304g","","","0.7107","MoKα","","","0.0857","","","","0.1643","","","","","","1.321","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106787","11.9361","0.0015","18.107","0.002","19.001","0.002","90","","96.05","0.002","90","","4083.8","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(diethyletherlithium) tris(N,N'diphenylhydrazido)manganate(IV)","bis(diethyletherlithium) tris(N,N'diphenylhydrazido)manganate(IV)","","- C44 H50 Li2 Mn N6 O2 -","- C44 H50 Li2 Mn N6 O2 -","- C176 H200 Li8 Mn4 N24 O8 -","4","0.5","","Shivaiah Vaddypally; Sandeep K.Kondaveeti; Michael Zdilla","An isolable, metastable, geometrically unique manganese(IV) trihydrazide complex poised for reactivity","Chem.Commun.","2011","47","","9696","","10.1039/c1cc13427b","","","0.71073","MoKα","","0.0647","0.0544","","","0.1532","0.1641","","","","","","1.048","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106788","12.025","0.0007","17.531","0.001","18.7595","0.0011","90","","95.103","0.001","90","","3939","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(tetrahydrofuranlithium) tris(N,N'diphenylhydrazido)manganate(IV)","bis(tetrahydrofuranlithium) tris(N,N'diphenylhydrazido)manganate(IV)","","- C44 H46 Li2 Mn N6 O2 -","- C44 H46 Li2 Mn N6 O2 -","- C176 H184 Li8 Mn4 N24 O8 -","4","0.5","","Shivaiah Vaddypally; Sandeep K.Kondaveeti; Michael Zdilla","An isolable, metastable, geometrically unique manganese(IV) trihydrazide complex poised for reactivity","Chem.Commun.","2011","47","","9696","","10.1039/c1cc13427b","","","0.71073","MoKα","","0.0468","0.0341","","","0.0835","0.0897","","","","","","1.025","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106789","9.96","0.009","12.124","0.011","18.738","0.016","90","","90","","90","","2263","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl N O4 -","- C26 H22 Cl N O4 -","- C104 H88 Cl4 N4 O16 -","4","1","","Tang-Lin Liu; Zhao-Lin He; Chun-Jiang Wang","Highly efficient construction of spirocyclic chromanone-pyrrolidines via Cu(I)/TF-BiphamPhos-catalyzed asymmetric 1,3-dipolar cycloaddition","Chem.Commun.","2011","47","","9600","","10.1039/c1cc13554f","","","0.71073","MoKα","","0.0829","0.0467","","","0.0883","0.1037","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106790","9.1069","0.0005","10.922","0.0005","14.6964","0.0009","73.752","0.002","79.577","0.003","65.667","0.002","1275.13","0.12","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C26 H26 Co N6 O2 S2 -","- C26 H26 Co N6 O2 S2 -","- C52 H52 Co2 N12 O4 S4 -","2","1","","Miguel Martinez-Calvo; Rosa Pedrido; Ana M. Gonzalez-Noya; Maria J. Romero; Magdalena Cwiklinska; Guillermo Zaragoza; Manuel R. Bermejo","A sequentially assembled grid composed of supramolecular meso-helical nodes","Chem.Commun.","2011","47","","9633","","10.1039/c1cc13582a","","x-ray","0.7107","MoKα","","0.0416","0.032","","","0.0771","0.0829","","","","","","1.04","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106791","5.031","0.001","12.153","0.002","15.766","0.003","90","","95.05","0.03","90","","960.2","0.3","140","2","140","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C40 H58 N6 O4 -","2","1","","Boram Lee; Rosario Scopelliti; Kay Severin","A molecular probe for the optical detection of biogenic amines","Chem.Commun.","2011","47","","9639","","10.1039/c1cc13604f","","","0.71073","MoKα","","0.091","0.0683","","","0.165","0.1874","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106792","5.5355","0.0001","11.525","0.0002","11.699","0.0002","90","","90","","90","","746.36","0.02","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O4 S -","- C6 H12 O4 S -","- C24 H48 O16 S4 -","4","1","","Corin Storkey; Michael Davies; Jonathan M. White; Carl Schiesser","Synthesis and Antioxidant Capacity of 5-Selenopyranose Derivatives","Chem.Commun.","2011","47","","9693","","10.1039/c1cc13652f","","","0.7107","MoKα","","0.0198","0.0192","","","0.0488","0.0491","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106793","27.7364","0.0011","27.7364","0.0011","27.7364","0.0011","90","","90","","90","","21337.8","1.5","293","2","293","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C46 H28 N2 O8 Zn2 -","- C46 H20 N2 O8 Zn2 -","- C276 H120 N12 O48 Zn12 -","6","0.125","","Dong Han; Fei-Long Jiang; Ming-Yan Wu; Lian Chen; Qi-Hui Chen; Maochun Hong","A non-interpenetrated porous metal-organic framework with high gas-uptake capacity","Chem.Commun.","2011","47","","9861","","10.1039/c1cc12858b","","","0.71073","MoKα","","0.0719","0.0688","","","0.2125","0.223","","","","","","1.031","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106794","22.1023","0.0005","22.48","0.0005","22.6463","0.0018","117.451","0.001","92.363","0.004","118.837","0.002","8228.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C144 H202 Cl12 O47 -","- C144 H188 Cl12 O47 -","- C288 H376 Cl24 O94 -","2","1","","Martin, Adam D.; Boulos, Ramiz A.; Iyer, K. Swaminathan; Sobolev, Alexandre N.; Bond, Charles S.; Atwood, Jerry L.; Dalgarno, Scott J.; Raston, Colin L.","Solvent and hydrogen confinement in molecular capsules – Hirshfeld surface and molecular simulation analysis","Chemical Communications (Cambridge, United Kingdom)","2011","47","35","9882","9884","10.1039/c1cc13038b","","","1.54178","CuKα","","0.1939","0.1535","","","0.3441","0.3634","","","","","","1.011","","","","has coordinates,has disorder","288010","2023-12-04","16:30:05",""
"7106795","14.471","0.003","16.704","0.003","17.748","0.004","90","","102.508","0.002","90","","4188.3","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C81 H132 Ce2 N4 O7 -","- C81 H132 Ce2 N4 O7 -","- C162 H264 Ce4 N8 O14 -","2","1","","Erin M. Broderick; Neng Guo; Tianpin Wu; Carola S. Vogel; Cuiling Xu; Jorg Sutter; Jeffrey T. Miller; Karsten Meyer; Thibault Cantat; Paula L. Diaconescu","Redox control of a polymerization catalyst by changing the oxidation state of the metal center","Chem.Commun.","2011","47","","9897","","10.1039/c1cc13117f","","","0.71073","MoKα","","0.0305","0.0265","","","0.055","0.0569","","","","","","0.995","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106796","16.389","0.0003","12.0113","0.0002","12.2966","0.0002","90","","90","","90","","2420.63","0.07","173","2","173","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C18 H15 Br0.5 Cl N2 Nd1.5 O8 S2 -","- C18 H15 Br0.5 Cl N2 Nd1.5 O8 S2 -","- C72 H60 Br2 Cl4 N8 Nd6 O32 S8 -","4","1","","Wang, Meng-Xi; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of halide ions on the chirality and luminescent property of ionothermally synthesized lanthanide-based metal-organic frameworks","Chemical Communications (Cambridge, United Kingdom)","2011","47","35","9834","9836","10.1039/c1cc13297k","","","0.71073","MoKα","","0.0218","0.0196","","","0.0381","0.0384","","","","","","0.911","","","","has coordinates","209511","2020-10-21","18:00:00",""
"7106797","16.285","0.0005","11.9314","0.0003","12.2099","0.0004","90","","90","","90","","2372.42","0.12","173","2","173","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C18 H15 Br0.25 Cl1.25 Eu1.5 N2 O8 S2 -","- C18 H15 Br0.25 Cl1.25 Eu1.5 N2 O8 S2 -","- C72 H60 Br Cl5 Eu6 N8 O32 S8 -","4","1","","Wang, Meng-Xi; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of halide ions on the chirality and luminescent property of ionothermally synthesized lanthanide-based metal-organic frameworks","Chemical Communications (Cambridge, United Kingdom)","2011","47","35","9834","9836","10.1039/c1cc13297k","","","0.71073","MoKα","","0.0569","0.0469","","","0.0784","0.0838","","","","","","0.974","","","","has coordinates","209511","2020-10-21","18:00:00",""
"7106798","11.738","0.0004","16.5818","0.0004","11.5785","0.0004","90","","113.514","0.004","90","","2066.47","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N2 Nd O8 S2 -","- C18 H15 N2 Nd O8 S2 -","- C72 H60 N8 Nd4 O32 S8 -","4","1","","Wang, Meng-Xi; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of halide ions on the chirality and luminescent property of ionothermally synthesized lanthanide-based metal-organic frameworks","Chemical Communications (Cambridge, United Kingdom)","2011","47","35","9834","9836","10.1039/c1cc13297k","","","0.71073","MoKα","","0.0436","0.0335","","","0.1007","0.1178","","","","","","0.841","","","","has coordinates","209511","2020-10-21","18:00:00",""
"7106799","11.7636","0.0003","16.3609","0.0003","11.589","0.0003","90","","113.314","0.003","90","","2048.34","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Eu N2 O8 S2 -","- C18 H15 Eu N2 O8 S2 -","- C72 H60 Eu4 N8 O32 S8 -","4","1","","Wang, Meng-Xi; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of halide ions on the chirality and luminescent property of ionothermally synthesized lanthanide-based metal-organic frameworks","Chemical Communications (Cambridge, United Kingdom)","2011","47","35","9834","9836","10.1039/c1cc13297k","","","0.71073","MoKα","","0.0357","0.027","","","0.0856","0.0949","","","","","","0.725","","","","has coordinates","209511","2020-10-21","18:00:00",""
"7106800","32.027","0.009","11.894","0.003","24.907","0.007","90","","107.539","0.003","90","","9047","4","90","","90","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C88 H92 Cu4 F24 N16 O P4 -","- C88 H92 Cu4 F24 N16 O P4 -","- C352 H368 Cu16 F96 N64 O4 P16 -","4","1","","Yoshio Furusho; Hidetoshi Goto; Ken Itomi; Hiroshi Katagiri; Toyoharu Miyagawa; Eiji Yashima","Synthesis and optical resolution of a Cu(I) double-stranded helicate with ketimine-bridged tris(bipyridine) ligands","Chem.Commun.","2011","47","","9795","","10.1039/c1cc13333k","","","0.71073","MoKα","","0.1791","0.1338","","","0.2857","0.3032","","","","","","1.168","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106801","8.398","0.003","9.349","0.004","15.567","0.005","80.62","0.02","89.08","0.02","72.57","0.02","1149.8","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 B Fe Ir O3 -","- C23 H30 B Fe Ir O3 -","- C46 H60 B2 Fe2 Ir2 O6 -","2","1","","Holger Braunschweig; Katharina Kraft; Krzysztof Radacki; Rian D. Dewhurst","Metalloborylene Complexes by Borylene Transmetallation","Chem.Commun.","2011","47","","9900","","10.1039/c1cc13444b","","","0.71073","MoKα","","0.021","0.0171","","","0.0538","0.0756","","","","","","1.429","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106802","8.8386","0.0007","11.5497","0.0009","18.041","0.0014","88.332","0.004","79.256","0.003","83.798","0.003","1798.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H45 B Fe2 O6 Rh2 -","- C36 H45 B Fe2 O6 Rh2 -","- C72 H90 B2 Fe4 O12 Rh4 -","2","1","","Holger Braunschweig; Katharina Kraft; Krzysztof Radacki; Rian D. Dewhurst","Metalloborylene Complexes by Borylene Transmetallation","Chem.Commun.","2011","47","","9900","","10.1039/c1cc13444b","","","0.71073","MoKα","","0.0357","0.0228","","","0.0426","0.0457","","","","","","1.043","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106803","10.8701","0.0003","22.6954","0.0006","22.8977","0.0006","90","","100.794","0.003","90","","5548.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 F12 N4 O14 P2 -","- C54 H62 F12 N4 O14 P2 -","- C216 H248 F48 N16 O56 P8 -","4","1","","Xuzhou Yan; Mingming Zhang; Peifa Wei; Bo Zheng; Xiaodong Chi; Xiaofan Ji; Feihe Huang","pH-responsive Assembly and Disassembly of a Supramolecular Cryptand-based Pseudorotaxane Driven by p-p Stacking Interactions","Chem.Commun.","2011","47","","9840","","10.1039/c1cc13472h","","","1.54184","CuKα","","0.0543","0.0432","","","0.1224","0.1325","","","","","","1.091","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106804","10.7621","0.0004","12.8281","0.0005","29.8195","0.0011","85.387","0.003","84.518","0.003","70.803","0.004","3864.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H74 F12 N4 O14 P2 -","- C68 H74 F12 N4 O14 P2 -","- C136 H148 F24 N8 O28 P4 -","2","1","","Xuzhou Yan; Mingming Zhang; Peifa Wei; Bo Zheng; Xiaodong Chi; Xiaofan Ji; Feihe Huang","pH-responsive Assembly and Disassembly of a Supramolecular Cryptand-based Pseudorotaxane Driven by p-p Stacking Interactions","Chem.Commun.","2011","47","","9840","","10.1039/c1cc13472h","","","1.54184","CuKα","","0.0689","0.0621","","","0.1573","0.1625","","","","","","1.066","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106805","11.2172","0.001","14.1305","0.0012","18.2407","0.0016","73.899","0.001","82.837","0.002","77.215","0.001","2702.8","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 F6 N S2 -","- C31 H23 F6 N S2 -","- C124 H92 F24 N4 S8 -","4","2","","Masakazu Morimoto; Kimie Murata; Tsuyoshi Michinobu","Photochemical control of a highly efficient addition reaction between electron-rich alkynes and tetracyanoethylene","Chem.Commun.","2011","47","","9819","","10.1039/c1cc13476k","","","0.71073","MoKα","","0.0656","0.052","","","0.1371","0.1481","","","","","","1.028","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106806","6.6087","0.0014","9.292","0.002","13.114","0.003","109.1","0.01","98.253","0.011","91.17","0.008","751.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Unsat Dimer from acetone","","","- C16 H26 N2 O2 -","- C16 H26 N2 O2 -","- C32 H52 N4 O4 -","2","1","","John Davenport; Osama Musa; Martin Paterson; Marc-Oliver Piepenbrock; Katharina Fucke; Jonathan Steed","A simple chemical model for clathrate hydrate inhibition by polyvinylcaprolactam","Chem.Commun.","2011","47","","9891","","10.1039/c1cc13556b","","","0.71073","MoKα","","0.0621","0.0436","","","0.1111","0.1229","","","","","","1.007","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106807","12.54","0.003","12.897","0.003","9.964","0.002","90","","96.05","0.003","90","","1602.5","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N2 O2 -","- C16 H28 N2 O2 -","- C64 H112 N8 O8 -","4","1","","John Davenport; Osama Musa; Martin Paterson; Marc-Oliver Piepenbrock; Katharina Fucke; Jonathan Steed","A simple chemical model for clathrate hydrate inhibition by polyvinylcaprolactam","Chem.Commun.","2011","47","","9891","","10.1039/c1cc13556b","","","0.6889","synchrotron","","0.0708","0.0571","","","0.1499","0.159","","","","","","1.101","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106808","12.004","0.005","12.215","0.005","16.157","0.007","74.739","0.006","76.36","0.005","80.407","0.005","2207.2","1.6","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H35 Cu3 I Mo N10 O S3 -","- C45 H35 Cu3 I Mo N10 O S3 -","- C90 H70 Cu6 I2 Mo2 N20 O2 S6 -","2","1","","Yao, Xiao-Qiang; Pan, Zhao-Rui; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","The rational synthesis of (10,3)-type MOFs based on tetranuclear [W(Mo)OS3Cu3]+ secondary building units","Chemical Communications (Cambridge, United Kingdom)","2011","47","36","10049","10051","10.1039/c1cc12691a","","","0.71073","MoKα","","0.0867","0.0613","","","0.1143","0.119","","","","","","1.097","","","","has coordinates","288011","2023-12-04","16:33:56",""
"7106809","37.3848","0.0011","9.3228","0.0013","30.23","0.002","90","","128.195","0.003","90","","8280.4","1.3","291","2","291","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Br Cu3 N8 O3 S3 W -","- C30 H30 Br Cu3 N8 O3 S3 W -","- C240 H240 Br8 Cu24 N64 O24 S24 W8 -","8","1","","Yao, Xiao-Qiang; Pan, Zhao-Rui; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","The rational synthesis of (10,3)-type MOFs based on tetranuclear [W(Mo)OS3Cu3]+ secondary building units","Chemical Communications (Cambridge, United Kingdom)","2011","47","36","10049","10051","10.1039/c1cc12691a","","","0.71073","MoKα","","0.0848","0.0528","","","0.1052","0.1113","","","","","","1.023","","","","has coordinates","288011","2023-12-04","16:33:57",""
"7106810","8.4871","0.0003","10.6177","0.0004","10.7684","0.0004","107.933","0.002","98.454","0.002","101.237","0.002","882.97","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Co N10 O7 -","- C32 H32 Co N10 O7 -","- C32 H32 Co N10 O7 -","1","0.5","","Robert J. Less; Thomas C. Wilson; Mary McPartlin; Paul T. Wood; Dominic Wright","Transition metal complexes of the pentacyanocyclopentadienide anion","Chem.Commun.","2011","47","","10007","","10.1039/c1cc13021h","","","0.71073","MoKα","","0.0586","0.0388","","","0.101","0.1041","","","","","","0.977","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106811","14.803","0.003","19.96","0.004","14.727","0.003","90","","103.18","0.03","90","","4236.7","1.6","180","2","180","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H36 Cl2 Co2 N10 O4.25 -","- C38 H36 Cl2 Co2 N10 O4.25 -","- C152 H144 Cl8 Co8 N40 O17 -","4","1","","Robert J. Less; Thomas C. Wilson; Mary McPartlin; Paul; T.; Wood; Wright, Dominic","Transition metal complexes of the pentacyanocyclopentadienide anion","Chem.Commun.","2011","47","","10007","","10.1039/c1cc13021h","","","0.71073","MoKα","","0.1005","0.0752","","","0.224","0.2323","","","","","","1.054","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106812","4.8026","0.0001","20.304","0.0005","15.993","0.0005","90","","90","","90","","1559.51","0.07","180","2","180","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C14 H6 Cu N7 -","- C14 H6 Cu N7 -","- C56 H24 Cu4 N28 -","4","0.5","","Robert J. Less; Thomas C. Wilson; Mary McPartlin; Paul; T.; Wood; Wright, Dominic","Transition metal complexes of the pentacyanocyclopentadienide anion","Chem.Commun.","2011","47","","10007","","10.1039/c1cc13021h","","","0.71073","MoKα","","0.0437","0.0313","","","0.0866","0.1077","","","","","","1.204","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106813","56.296","0.007","56.296","0.007","56.296","0.007","90","","90","","90","","178416","4","120","2","120","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C171 H357 Cu3 N35 O85 -","- C66 H36 Cu3 O15 -","- C2112 H1152 Cu96 O480 -","32","0.166667","","Yan Yong; Sihai Yang; Alexander Blake; William Lewis; Eric Poirier; Sarah Barnett; Neil Champness; Martin Schroder","A mesoporous metal-organic framework constructed from a nanosized C3‒symmetric linker and [Cu24(isophthalate)24] cuboctahedra","Chem.Commun.","2011","47","","9995","","10.1039/c1cc13170b","","","0.6889","synchrotron","","0.15","0.131","","","0.371","0.391","","","","","","1.53","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106814","7.923","0.0016","10.418","0.002","15.473","0.003","91.07","0.03","102.32","0.03","104.43","0.03","1204.9","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","2-(2-methylphenylthio)-3-methyl-2-cyclohexenone","2-(2-methylphenylthio)-3-methyl-2-cyclohexenone","","- C14 H16 O S -","- C14 H16 O S -","- C56 H64 O4 S4 -","4","2","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0488","0.0423","","","0.1066","0.1133","","","","","","1.035","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106815","15.596","0.003","14.935","0.003","20.531","0.004","90","","90","","90","","4782.2","1.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-(2-chlorophenylthio)-3-methyl-2-cyclohexenone","2-(2-chlorophenylthio)-3-methyl-2-cyclohexenone","","- C13 H13 Cl O S -","- C13 H13 Cl O S -","- C208 H208 Cl16 O16 S16 -","16","2","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0463","0.0393","","","0.093","0.0969","","","","","","1.063","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106816","15.73","0.005","15.142","0.005","20.59","0.006","90","","90","","90","","4904","3","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-(2-bromophenylthio)-3-methyl-2-cyclohexenone","2-(2-bromophenylthio)-3-methyl-2-cyclohexenone","","- C13 H13 Br O S -","- C13 H13 Br O S -","- C208 H208 Br16 O16 S16 -","16","2","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0525","0.0345","","","0.0771","0.0839","","","","","","1.014","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106817","6.9911","0.0002","17.8652","0.0004","9.4401","0.0002","90","","96.02","0.001","90","","1172.54","0.05","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-6,9b-dimethyl-2,3,4a,9b-tetrahydro-1H-dibenzothiophene- 4-one","trans-6,9b-dimethyl-2,3,4a,9b-tetrahydro-1H-dibenzothiophene-4-one","","- C14 H16 O S -","- C14 H16 O S -","- C56 H64 O4 S4 -","4","1","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0609","0.038","","","0.0923","0.0998","","","","","","1.003","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106818","9.607","0.0019","7.577","0.0015","17.375","0.004","90","","103.4","0.03","90","","1230.3","0.5","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-6-bromo-9b-methyl-2,3,4a,9b-tetrahydro-1H- dibenzothiophene-4-one","cis-6-bromo-9b-methyl-2,3,4a,9b-tetrahydro-1H- dibenzothiophene-4-one","","- C13 H13 Br O S -","- C13 H13 Br O S -","- C52 H52 Br4 O4 S4 -","4","1","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0364","0.0317","","","0.0793","0.082","","","","","","1.066","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106819","15.8902","0.0004","15.2239","0.0003","20.654","0.0005","90","","90","","90","","4996.4","0.2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","mixed crystal","mixed crystal","","- C26 H26 Br Cl O2 S2 -","- C26 H26 Br Cl O2 S2 -","- C208 H208 Br8 Cl8 O16 S16 -","8","1","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0889","0.0413","","","0.0969","0.1068","","","","","","0.815","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106820","15.591","0.003","15.064","0.003","20.669","0.004","90","","90","","90","","4854.4","1.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27.18 H29.54 Br0.82 O2 S2 -","- C27.1806 H29.5418 Br0.8194 O2 S2 -","- C217.445 H236.334 Br6.5552 O16 S16 -","8","1","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0574","0.0464","","","0.1092","0.1129","","","","","","1.112","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106821","15.5798","0.0004","15.0633","0.0004","20.6424","0.0005","90","","90","","90","","4844.4","0.2","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","mixed crystal","mixed crystal","","- C13.9 H15.7 Br0.1 O S -","- C13.9 H15.7 Br0.1 O S -","- C222.4 H251.2 Br1.6 O16 S16 -","16","2","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0653","0.0517","","","0.1215","0.1273","","","","","","1.193","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106822","9.5453","0.0003","6.9928","0.0002","13.4491","0.0004","90","","109.631","0.0013","90","","845.53","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O7 -","- C16 H20 N2 O7 -","- C32 H40 N4 O14 -","2","1","","Andrew F. Kyle; Pavol Jakubec; Dane M. Cockfield; Ed Cleator; John Skidmore; Darren J. Dixon","Total synthesis of (‒)-nakadomarin A","Chem.Commun.","2011","47","","10037","10039","10.1039/c1cc13665h","","","0.71073","MoKα","","0.05","0.0387","","0.0926","0.0796","0.0926","","","","","","0.9348","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106823","9.0669","0.0002","15.7455","0.0004","12.0613","0.0003","90","","96.0302","0.0013","90","","1712.38","0.07","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O7 -","- C16 H20 N2 O7 -","- C64 H80 N8 O28 -","4","2","","Andrew F. Kyle; Pavol Jakubec; Dane M. Cockfield; Ed Cleator; John Skidmore; Darren J. Dixon","Total synthesis of (‒)-nakadomarin A","Chem.Commun.","2011","47","","10037","10039","10.1039/c1cc13665h","","","0.71073","MoKα","","0.0794","0.044","","0.0978","0.0854","0.0978","","","","","","0.962","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106824","9.1336","0.0012","13.254","0.0018","16.646","0.002","90","","90","","90","","2015.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl N O3 -","- C24 H18 Cl N O3 -","- C96 H72 Cl4 N4 O12 -","4","1","","Li-Hui Sun; Li-Tao Shen; Song Ye","Highly diastereo- and enantioselective NHC-catalyzed [3+2] annulation of enals and isatins","Chem.Commun.","2011","47","","10136","","10.1039/c1cc13860j","","","0.71073","MoKα","","0.0553","0.052","","","0.1145","0.1162","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106825","6.6344","0.0012","14.612","0.003","19.35","0.004","90","","93.758","0.004","90","","1871.8","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N O5 -","- C21 H18 N O5 -","- C84 H72 N4 O20 -","4","1","","Bappaditya Gole; Sankarasekaran Shanmugaraju; Arun Kumar Bar; Partha Sarathi Mukherjee","Supramolecular polymer for explosives sensing: role of H-bonding in enhancement of sensitivity in the solid state","Chem.Commun.","2011","47","","10046","","10.1039/c1cc13925h","","","0.71073","MoKα","","0.2765","0.1349","","","0.2389","0.302","","","","","","1.073","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106826","9.0622","0.0006","10.4386","0.0006","13.4203","0.0013","96.907","0.007","106.55","0.007","114.877","0.004","1061.1","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H36 Cl6 O8 -","- C44 H36 Cl6 O8 -","- C44 H36 Cl6 O8 -","1","0.5","","Bappaditya Gole; Sankarasekaran Shanmugaraju; Arun Kumar Bar; Partha Sarathi Mukherjee","Supramolecular polymer for explosives sensing: role of H-bonding in enhancement of sensitivity in the solid state","Chem.Commun.","2011","47","","10046","","10.1039/c1cc13925h","","","0.71073","MoKα","","0.2434","0.0466","","","0.0921","0.1247","","","","","","0.686","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106827","14.2614","0.0004","14.2614","0.0004","11.0241","0.0002","90","","90","","120","","1941.77","0.08","123","1","123","1","","","","","","","see text","5","P -3","-P 3","147","","","","- C22 H50 Cl6 Ge7 P4 -","- C16 H36 Cl6 Ge7 P4 -","- C32 H72 Cl12 Ge14 P8 -","2","0.333333","","Stefan Almstatter; Balazs Gabor; Michael Bodensteiner; Manfred Scheer","Germanium/Phosphorus Cage Compounds with Germanium in Three Different Oxidation States","Chem.Commun.","2011","47","","9998","","10.1039/c1cc13937a","","x-ray","1.54184","CuKα","","0.0512","0.0343","","","0.0758","0.0784","","","","","","0.872","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106828","16.9638","0.0002","13.8428","0.0001","16.3948","0.0002","90","","90","","90","","3849.93","0.07","123","1","123","1","","","","","","","see text","5","P b c n","-P 2n 2ab","60","","","","- C16 H36 Br6 Ge8 P4 -","- C16 H36 Br6 Ge8 P4 -","- C64 H144 Br24 Ge32 P16 -","4","0.5","","Stefan Almstatter; Balazs Gabor; Michael Bodensteiner; Manfred Scheer","Germanium/Phosphorus Cage Compounds with Germanium in Three Different Oxidation States","Chem.Commun.","2011","47","","9998","","10.1039/c1cc13937a","","x-ray","1.54178","CuKα","","0.0522","0.0416","","","0.1059","0.1122","","","","","","1.033","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106829","11.399","0.004","21.609","0.008","13.165","0.006","90","","104.728","0.009","90","","3136","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O4 -","- C28 H22 N2 O4 -","- C168 H132 N12 O24 -","6","1.5","","Shuhei Katsuta; Kazuki Tanaka; Yukihiro Maruya; Shigeki Mori; Sadahiro Masuo; Tetsuo Okujima; Hidemitsu Uno; Ken-ichi Nakayama; Hiroko Yamada","Synthesis of pentacene-, tetracene- and anthracene bisimides using double-cyclization reaction mediated by bismuth(III) triflate","Chem.Commun.","2011","47","","10112","","10.1039/c1cc13980k","","","0.71075","MoKα","","0.1156","0.0982","","","0.2055","0.2174","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106830","10.0736","0.001","11.141","0.0012","13.7743","0.0011","76.275","0.005","75.947","0.005","64.225","0.006","1335","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 N2 O4 -","- C34 H34 N2 O4 -","- C68 H68 N4 O8 -","2","1","","Shuhei Katsuta; Kazuki Tanaka; Yukihiro Maruya; Shigeki Mori; Sadahiro Masuo; Tetsuo Okujima; Hidemitsu Uno; Ken-ichi Nakayama; Hiroko Yamada","Synthesis of pentacene-, tetracene- and anthracene bisimides using double-cyclization reaction mediated by bismuth(III) triflate","Chem.Commun.","2011","47","","10112","","10.1039/c1cc13980k","","","1.54187","CuKα","","","0.0839","","","","0.2334","","","","","","1.025","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106831","9.2407","0.0009","5.1056","0.0006","11.6424","0.0012","90","","105.335","0.004","90","","529.72","0.1","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O -","- C11 H13 Br O -","- C22 H26 Br2 O2 -","2","1","","Abbas Hassan; Ian A. Townsend; Michael Krische","Catalytic Enantioselective Grignard Nozaki-Hiyama Methallylation from the Alcohol Oxidation Level: Chloride Compensates for p-Complex Instability","Chem.Commun.","2011","47","","10028","","10.1039/c1cc14392a","","","0.71075","MoKα","","0.0849","0.0469","","","0.077","0.0915","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106832","20.069","0.003","14.029","0.002","13.773","0.002","90","","99.209","0.004","90","","3827.8","1","123.2","","123.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 O11 -","- C44 H46 O11 -","- C176 H184 O44 -","4","0.5","","Tomoki Ogoshi; Keisuke Kitajima; Shuhei Fujinami; Tada-aki Yamagishi","Synthesis and X-ray Crystal Structure of Difunctionalized Pillar[5]arene at A1/B2 Positions by in-situ Cyclization and Deprotection","Chem.Commun.","2011","47","","10106","","10.1039/c1cc13546e","","","0.7107","MoKα","","","0.0552","","","","0.0708","","","","","","1.23","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106833","3.6858","0.0004","14.6127","0.0015","12.8816","0.0013","90","","93.1048","0.0016","90","","692.78","0.12","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CoMQ","","","- C18 H12 Co N2 S2 -","- C18 H12 Co N2 S2 -","- C36 H24 Co2 N4 S4 -","2","0.5","","Xue, Wei; Wang, Bao-Ying; Zhu, Jie; Zhang, Wei-Xiong; Zhang, Yue-Biao; Zhao, Hai-Xia; Chen, Xiao-Ming","A one-dimensional coordination polymer exhibiting simultaneous spin-crossover and semiconductor behaviour","Chemical Communications (Cambridge, United Kingdom)","2011","47","37","10233","10235","10.1039/c1cc12852c","","","0.71073","MoKα","","0.0279","0.0274","","","0.0784","0.0789","","","","","","1.088","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7106834","3.6896","0.0004","14.6443","0.0015","12.9107","0.0013","90","","92.9027","0.0016","90","","696.69","0.13","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CoMQ","","","- C18 H12 Co N2 S2 -","- C18 H12 Co N2 S2 -","- C36 H24 Co2 N4 S4 -","2","0.5","","Xue, Wei; Wang, Bao-Ying; Zhu, Jie; Zhang, Wei-Xiong; Zhang, Yue-Biao; Zhao, Hai-Xia; Chen, Xiao-Ming","A one-dimensional coordination polymer exhibiting simultaneous spin-crossover and semiconductor behaviour","Chemical Communications (Cambridge, United Kingdom)","2011","47","37","10233","10235","10.1039/c1cc12852c","","","0.71073","MoKα","","0.0334","0.0326","","","0.0915","0.0923","","","","","","1.086","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7106835","3.6911","0.0004","14.6918","0.0014","12.9593","0.0012","90","","92.4986","0.0015","90","","702.1","0.12","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CoMQ","","","- C18 H12 Co N2 S2 -","- C18 H12 Co N2 S2 -","- C36 H24 Co2 N4 S4 -","2","0.5","","Xue, Wei; Wang, Bao-Ying; Zhu, Jie; Zhang, Wei-Xiong; Zhang, Yue-Biao; Zhao, Hai-Xia; Chen, Xiao-Ming","A one-dimensional coordination polymer exhibiting simultaneous spin-crossover and semiconductor behaviour","Chemical Communications (Cambridge, United Kingdom)","2011","47","37","10233","10235","10.1039/c1cc12852c","","","0.71073","MoKα","","0.0276","0.0269","","","0.0758","0.0764","","","","","","1.082","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7106836","3.6947","0.0003","14.7215","0.0013","12.99","0.0012","90","","92.2964","0.0014","90","","705.98","0.11","192","2","192","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CoMQ","","","- C18 H12 Co N2 S2 -","- C18 H12 Co N2 S2 -","- C36 H24 Co2 N4 S4 -","2","0.5","","Xue, Wei; Wang, Bao-Ying; Zhu, Jie; Zhang, Wei-Xiong; Zhang, Yue-Biao; Zhao, Hai-Xia; Chen, Xiao-Ming","A one-dimensional coordination polymer exhibiting simultaneous spin-crossover and semiconductor behaviour","Chemical Communications (Cambridge, United Kingdom)","2011","47","37","10233","10235","10.1039/c1cc12852c","","","0.71073","MoKα","","0.0277","0.0271","","","0.0761","0.0767","","","","","","1.075","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7106837","3.6988","0.0003","14.7379","0.0012","13.0078","0.0011","90","","92.2308","0.0013","90","","708.55","0.1","218","2","218","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CoMQ","","","- C18 H12 Co N2 S2 -","- C18 H12 Co N2 S2 -","- C36 H24 Co2 N4 S4 -","2","0.5","","Xue, Wei; Wang, Bao-Ying; Zhu, Jie; Zhang, Wei-Xiong; Zhang, Yue-Biao; Zhao, Hai-Xia; Chen, Xiao-Ming","A one-dimensional coordination polymer exhibiting simultaneous spin-crossover and semiconductor behaviour","Chemical Communications (Cambridge, United Kingdom)","2011","47","37","10233","10235","10.1039/c1cc12852c","","","0.71073","MoKα","","0.0274","0.0267","","","0.0751","0.0757","","","","","","1.07","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7106838","3.706","0.0004","14.7577","0.0014","13.0266","0.0013","90","","92.2066","0.0015","90","","711.92","0.12","245","2","245","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CoMQ","","","- C18 H12 Co N2 S2 -","- C18 H12 Co N2 S2 -","- C36 H24 Co2 N4 S4 -","2","0.5","","Xue, Wei; Wang, Bao-Ying; Zhu, Jie; Zhang, Wei-Xiong; Zhang, Yue-Biao; Zhao, Hai-Xia; Chen, Xiao-Ming","A one-dimensional coordination polymer exhibiting simultaneous spin-crossover and semiconductor behaviour","Chemical Communications (Cambridge, United Kingdom)","2011","47","37","10233","10235","10.1039/c1cc12852c","","","0.71073","MoKα","","0.0274","0.0266","","","0.0755","0.076","","","","","","1.081","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7106839","3.7109","0.0004","14.7647","0.0014","13.0315","0.0013","90","","92.1943","0.0015","90","","713.48","0.12","272","2","272","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CoMQ","","","- C18 H12 Co N2 S2 -","- C18 H12 Co N2 S2 -","- C36 H24 Co2 N4 S4 -","2","0.5","","Xue, Wei; Wang, Bao-Ying; Zhu, Jie; Zhang, Wei-Xiong; Zhang, Yue-Biao; Zhao, Hai-Xia; Chen, Xiao-Ming","A one-dimensional coordination polymer exhibiting simultaneous spin-crossover and semiconductor behaviour","Chemical Communications (Cambridge, United Kingdom)","2011","47","37","10233","10235","10.1039/c1cc12852c","","","0.71073","MoKα","","0.0287","0.0277","","","0.0836","0.0851","","","","","","1.062","","","","has coordinates","208980","2020-10-21","18:00:00",""
"7106840","10.1751","0.0005","10.6783","0.0004","11.6493","0.0007","96.462","0.002","107.57","0.004","109.165","0.004","1107.88","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 P -","- C27 H29 P -","- C54 H58 P2 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Frohlich; Gerhard Erker","Phosphirenium-borate zwitterion: formation in the 1,1-carboboration reaction of phosphinylalkynes","Chem.Commun.","2011","47","","10482","","10.1039/c1cc13008k","","","1.54178","CuKα","","0.049","0.0439","","","0.1178","0.1227","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106841","12.4342","0.0005","13.4995","0.0006","14.2303","0.0006","82.805","0.002","66.678","0.002","64.037","0.002","1968.75","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 B F15 P -","- C45 H29 B F15 P -","- C90 H58 B2 F30 P2 -","2","1","","Olga Ekkert; Gerald Kehr; Roland Frohlich; Gerhard Erker","Phosphirenium-borate zwitterion: formation in the 1,1-carboboration reaction of phosphinylalkynes","Chem.Commun.","2011","47","","10482","","10.1039/c1cc13008k","","","1.54178","CuKα","","0.0399","0.0373","","","0.1059","0.1086","","","","","","1.034","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106842","21.7497","0.0006","22.539","0.0004","17.9477","0.0006","90","","90","","90","","8798.3","0.4","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H36 B Cl F15 P -","- C48 H36 B Cl F15 P -","- C384 H288 B8 Cl8 F120 P8 -","8","2","","Olga Ekkert; Gerald Kehr; Roland Frohlich; Gerhard Erker","Phosphirenium-borate zwitterion: formation in the 1,1-carboboration reaction of phosphinylalkynes","Chem.Commun.","2011","47","","10482","","10.1039/c1cc13008k","","","1.54178","CuKα","","0.0736","0.0586","","","0.1419","0.1567","","","","","","1.033","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106843","6.6681","0.0005","11.0049","0.0011","21.379","0.002","91.41","0.008","95.287","0.007","106.366","0.008","1496.8","0.2","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C53 H63 Cl9 N6 O4 -","- C53 H63 Cl9 N6 O4 -","- C53 H63 Cl9 N6 O4 -","1","1","","Pedro Ramirez-Lopez; Maria C. de la Torre; Maria Asenjo; Julio Ramirez-Castellanos; Jose M. Gonzalez-Calbet; Alejandra Rodriguez-Gimeno; Carmen Ramirez de Arellano; Miguel A. Sierra","A New Family of ""Clicked"" Estradiol-Based Low-Molecular-Weight Gelators Having Highly Symmetry-Dependent Gelation Ability","Chem.Commun.","2011","47","","10281","","10.1039/c1cc13251b","","","0.71073","MoKα","","0.1918","0.1092","","","0.245","0.2675","","","","","","1.112","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106844","13.235","0.001","19.2584","0.0009","14.094","0.001","90","","101.675","0.003","90","","3518","0.4","228","2","228","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N7 O10 S3 -","- C28 H27 N7 O10 S3 -","- C112 H108 N28 O40 S12 -","4","1","","Jean-Manuel Raimundo; Zhongrui Chen; Olivier Siri","A new approach to inherent chirality through the N/S ratio and/or the position in mixed heterocalix[4]arenes","Chem.Commun.","2011","47","","10410","","10.1039/c1cc13390j","","x-ray","0.71073","MoKα","","0.2512","0.167","","","0.3922","0.4496","","","","","","1.074","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106845","24.4209","0.0006","9.2343","0.0003","14.7501","0.0004","90","","99.044","0.002","90","","3284.94","0.16","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N6 O10 S4 -","- C28 H26 N6 O10 S4 -","- C112 H104 N24 O40 S16 -","4","0.5","","Jean-Manuel Raimundo; Zhongrui Chen; Olivier Siri","A new approach to inherent chirality through the N/S ratio and/or the position in mixed heterocalix[4]arenes","Chem.Commun.","2011","47","","10410","","10.1039/c1cc13390j","","x-ray","0.71073","MoKα","","0.114","0.0736","","","0.2275","0.279","","","","","","1.106","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106846","10.7696","0.0006","13.8437","0.0007","24.4199","0.0014","89.154","0.003","89.071","0.003","84.376","0.003","3622.5","0.3","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H80 Br2 Fe Mn Mo N22 O9 -","- C62 H70 Br2 Fe Mn Mo N22 O9 -","- C124 H140 Br4 Fe2 Mn2 Mo2 N44 O18 -","2","1","","Jung Hee Yoon; Dae Won Ryu; Sang Yup Choi; Hyoung Chan Kim; Eui Kwan Koh; Jun Tao; Chang Seop Hong","Spin crossover in the cyanide-bridged MoVMnIII single-chain magnet containing FeII cations","Chem.Commun.","2011","47","","10416","","10.1039/c1cc13627e","","","0.71073","MoKα","","0.0864","0.0551","","","0.1303","0.1456","","","","","","1.052","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106847","10.7993","0.0009","14.0068","0.0011","24.4363","0.0019","90","","90","","94.227","0.004","3686.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H80 Br2 Cd Mn Mo N22 O9 -","- C62 H66 Br2 Cd Mn Mo N22 O9 -","- C124 H132 Br4 Cd2 Mn2 Mo2 N44 O18 -","2","1","","Jung Hee Yoon; Dae Won Ryu; Sang Yup Choi; Hyoung Chan Kim; Eui Kwan Koh; Jun Tao; Chang Seop Hong","Spin crossover in the cyanide-bridged MoVMnIII single-chain magnet containing FeII cations","Chem.Commun.","2011","47","","10416","","10.1039/c1cc13627e","","","0.71073","MoKα","","0.1626","0.085","","","0.2014","0.2669","","","","","","1.064","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106848","12.159","0.0008","15.1818","0.0009","17.6527","0.0011","82.418","0.001","82.061","0.001","79.796","0.001","3157","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(RO)3VNNV(OR)3","","","- C30 H63 N O3 V -","- C30 H63 N O3 V -","- C120 H252 N4 O12 V4 -","4","2","","Stanislav Groysman; Dino Villagran; Danna Freedman; Daniel G. Nocera","Dinitrogen binding at vanadium in a tris(alkoxide) ligand environment","Chem.Commun.","2011","47","","10242","","10.1039/c1cc13645c","","","0.71073","MoKα","","0.0823","0.0521","","","0.1206","0.1384","","","","","","1.025","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106849","12.8888","0.0008","15.7816","0.001","24.2559","0.0016","90","","89.982","0.001","90","","4933.8","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[V(OR)3N](TBA)","","","- C46 H80 N2 O3 V -","- C45.955 H96.035 N2 O3 V -","- C183.82 H384.14 N8 O12 V4 -","4","2","","Stanislav Groysman; Dino Villagran; Danna Freedman; Daniel G. Nocera","Dinitrogen binding at vanadium in a tris(alkoxide) ligand environment","Chem.Commun.","2011","47","","10242","","10.1039/c1cc13645c","","","0.71073","MoKα","","0.1339","0.108","","","0.2664","0.2836","","","","","","1.093","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106850","11.4805","0.001","11.8426","0.001","14.1986","0.0012","90","","90","","90","","1930.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Yun-Shan Sun; Kai Ding; Wei-Sheng Tian","Total syntheses of (Sp)-(+)- and (Rp)-(-)-spiniferin-1, a pair of unusual natural products with planar chirality","Chem.Commun.","2011","47","","10437","","10.1039/c1cc13650j","","","0.71073","MoKα","","0.113","0.0454","","","0.0734","0.0856","","","","","","0.701","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106851","10.5615","0.0012","8.3727","0.0009","11.8537","0.0012","90","","108.972","0.002","90","","991.26","0.19","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C44 H52 O12 -","2","1","","Yun-Shan Sun; Kai Ding; Wei-Sheng Tian","Total syntheses of (Sp)-(+)- and (Rp)-(-)-spiniferin-1, a pair of unusual natural products with planar chirality","Chem.Commun.","2011","47","","10437","","10.1039/c1cc13650j","","","0.71073","MoKα","","0.079","0.0399","","","0.0516","0.0581","","","","","","0.764","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106852","9.388","0.006","11.595","0.008","15.005","0.01","90","","94.983","0.009","90","","1627.2","1.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","K. Siva Kumar; P. Mahesh Kumar; M. Appi Reddy; Md. Ferozuddin; M. Sreenivasulu; Ahamed A. Jafar; G. R. Krishna; C. Malla Reddy; D. Rambabu; K. Shiva Kumar; Sarbani Pal; Manojit Pal","Yb(OTf)3 catalyzed new cascade reaction: a facile assembly of fused quinazolinones","Chem.Commun.","2011","47","","10263","","10.1039/c1cc13695j","","","0.71073","MoKα","","0.154","0.0661","","","0.1633","0.2361","","","","","","0.765","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106853","7.8666","0.0002","9.8807","0.0002","12.7945","0.0003","96.753","0.001","106.776","0.001","111.696","0.001","856.13","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl2 Fe2 N4 Pt -","- C38 H40 Cl2 Fe2 N4 Pt -","- C38 H40 Cl2 Fe2 N4 Pt -","1","0.5","","Daniel Nieto; Ana Ma Gonzalez-Vadillo; Sonia Bruna; Cesar J. Pastor; Angel E. Kaifer; Isabel Cuadrado","Pt(II)-activated coupling of aminoethylferrocene with benzonitrile. A facile access route to a new redox-active bis(ferrocenyl-amidine) anion sensor","Chem.Commun.","2011","47","","10398","","10.1039/c1cc13704b","","","1.54178","CuKα","","0.0311","0.0303","","","0.0751","0.0759","","","","","","1.072","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106854","24.4709","0.0018","24.4709","0.0018","39.112","0.003","90","","90","","120","","20283","3","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H204 N3 O40 P W12 -","- C96 H204 N3 O40 P W12 -","- C576 H1224 N18 O240 P6 W72 -","6","0.166667","","Yunxia Jiang; Shuxia Liu; Shujun Li; Jun Miao; Jing Zhang; Lixin Wu","Anisotropic ionic liquids built from nonmesogenic cation surfactants and Keggin-type polyoxoanions","Chem.Commun.","2011","47","","10287","","10.1039/c1cc13721b","","","0.71073","MoKα","","0.0659","0.0323","","","0.0537","0.0622","","","","","","1.003","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106855","16.2959","0.0003","18.9302","0.0003","26.2922","0.0005","90","","90","","90","","8110.7","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.0371","0.0353","","","0.0841","0.0847","","","","","","1.139","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106856","16.3776","0.0003","19.003","0.0004","26.55","0.0007","90","","90","","90","","8263","0.3","248","2","248","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.0533","0.0411","","","0.0916","0.0953","","","","","","1.044","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106857","16.2919","0.0004","18.9469","0.0004","26.2523","0.0005","90","","90","","90","","8103.6","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.044","0.0352","","","0.069","0.071","","","","","","1.004","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106858","16.3489","0.0003","18.9892","0.0004","26.4822","0.0005","90","","90","","90","","8221.5","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.042","0.0352","","","0.0786","0.0806","","","","","","1.001","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106859","16.3877","0.0004","19.0209","0.0004","26.5783","0.0006","90","","90","","90","","8284.7","0.3","248","2","248","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.048","0.0379","","","0.0793","0.082","","","","","","1.005","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106860","16.4147","0.0004","19.0401","0.0005","26.6275","0.0006","90","","90","","90","","8322.1","0.4","271","2","271","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.0531","0.0408","","","0.091","0.0946","","","","","","1.005","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106861","16.264","0.003","18.94","0.004","26.215","0.005","90","","90","","90","","8075","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.8","","","0.0359","0.034","","","0.0849","0.086","","","","","","1.034","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106862","12.5407","0.0019","13.946","0.002","15.358","0.002","90","","90","","90","","2686","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N4 O6 -","- C26 H32 N4 O6 -","- C104 H128 N16 O24 -","4","1","","Ma.-Angeles Cano-Herrera; Luis D. Miranda","Expedient entry to the piperazinohydroisoquinoline ring system using a sequential Ugi/Pictet-Spengler/reductive methylation reaction protocol","Chem.Commun.","2011","47","","10770","","10.1039/c1cc10759c","","","0.71073","MoKα","","0.1723","0.0812","","","0.1295","0.1599","","","","","","1.046","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106863","4.7784","0.0018","10.846","0.004","8.48","0.003","90","","97.832","0.005","90","","435.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C12 H22 N6 O6 -","2","1","","Bani Kanta Sarma; Muhammed Yousufuddin; Thomas Kodadek","Acyl hydrazides as peptoid sub-monomers","Chem.Commun.","2011","47","","10590","","10.1039/c1cc12750k","","","0.71073","MoKα","","0.069","0.0564","","","0.1328","0.144","","","","","","1.087","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106864","9.6435","0.0014","6.5","0.001","14.39","0.002","90","","106.698","0.002","90","","864","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","((1S,3S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin- 3-yl)methanol","((1S,3S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","2","","Chuanqing Kang; Yabing He; Zheng Bian; Fushe Han; Xuepeng Qiu; Lianxun Gao","An organogel formed from a cyclic b-aminoalcohol","Chem.Commun.","2011","47","","10746","","10.1039/c1cc13179f","","","0.71073","MoKα","","0.0362","0.0321","","","0.0793","0.082","","","","","","1.052","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106865","21.746","0.002","21.746","0.002","7.7165","0.0016","90","","90","","120","","3160.2","0.8","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C31.67 H28.67 Cl2 N2 O4.67 Zn -","- C31.6663 H28.6664 Cl2 N2 O4.6666 Zn -","- C94.9988 H85.9992 Cl6 N6 O13.9998 Zn3 -","3","0.5","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.0851","0.0721","","","0.2117","0.2219","","","","","","1.046","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106866","26.718","0.005","26.718","0.005","7.7553","0.0019","90","","90","","120","","4794.4","1.7","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H62 Cu3 N6 O19 -","- C54 H62.04 Cu3 N6 O19 -","- C162 H186.12 Cu9 N18 O57 -","3","0.166667","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.0576","0.046","","","0.116","0.1236","","","","","","1.039","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106867","26.473","0.004","26.473","0.004","7.635","0.002","90","","90","","120","","4633.9","1.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H48 Cu3 N6 O12 -","- C54 H48 Cu3 N6 O12 -","- C162 H144 Cu9 N18 O36 -","3","0.166667","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.0827","0.0513","","","0.1146","0.1293","","","","","","0.985","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106868","26.642","0.004","26.642","0.004","7.741","0.002","90","","90","","120","","4758.4","1.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H62 Cu3 N6 O19 -","- C54 H62.04 Cu3 N6 O19 -","- C162 H186.12 Cu9 N18 O57 -","3","0.166667","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.067","0.0463","","","0.1159","0.1225","","","","","","0.936","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106869","21.7437","0.0016","21.7437","0.0016","15.438","0.002","90","","90","","120","","6321","1.1","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H24 Fe0 N2 O4 Zn -","- C30 H24 N2 O4 Zn -","- C180 H144 N12 O24 Zn6 -","6","1","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.086","0.0437","","","0.1083","0.1173","","","","","","0.831","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106870","9.5352","0.0017","21.7","0.004","11.136","0.002","90","","103.828","0.003","90","","2237.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O7 S -","- C23 H27 N O7 S -","- C92 H108 N4 O28 S4 -","4","2","","Laura H. S. Smith; Trung Thanh Nguyen; Helen F. Sneddon; David J. Procter","Synthesis of the ABH rings of ecteinascidin 597 using a connective Pummerer-type cyclisation","Chem.Commun.","2011","47","","10821","","10.1039/c1cc13992d","","","0.71073","MoKα","","0.0345","0.033","","","0.0785","0.0795","","","","","","1.074","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106871","3.7791","0.0007","12.616","0.002","17.874","0.003","90","","95.028","0.006","90","","848.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N4 O6 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","0.5","","Ramkinkar Santra; Kaustuv Banerjee; Kumar Biradha","Weak Ag—Ag and Ag—Pi Interactions in Templating Regio Selective Single and Double [2+2] Reactions of N,N'-bis(3-(4-pyridyl)acryloyl)-hydrazine in the Solid State","Chem.Commun.","2011","47","","10740","","10.1039/c1cc13994k","","","0.71073","MoKα","","0.0737","0.0465","","","0.1265","0.1443","","","","","","0.911","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106872","7.5856","0.0012","14.516","0.002","17.684","0.003","71.47","0.005","80.448","0.005","77.098","0.005","1790.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Ag Cl N4 O6 -","- C16 H14 Ag Cl N4 O6 -","- C64 H56 Ag4 Cl4 N16 O24 -","4","2","","Ramkinkar Santra; Kaustuv Banerjee; Kumar Biradha","Weak Ag—Ag and Ag—Pi Interactions in Templating Regio Selective Single and Double [2+2] Reactions of N,N'-bis(3-(4-pyridyl)acryloyl)-hydrazine in the Solid State","Chem.Commun.","2011","47","","10740","","10.1039/c1cc13994k","","","0.71073","MoKα","","0.1938","0.0652","","","0.1374","0.1751","","","","","","0.795","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106873","8.224","0.003","8.903","0.003","12.642","0.004","86.63","0.011","80.05","0.01","66.214","0.009","834.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Ag N5 O5 -","- C16 H14 Ag N5 O5 -","- C32 H28 Ag2 N10 O10 -","2","1","","Ramkinkar Santra; Kaustuv Banerjee; Kumar Biradha","Weak Ag—Ag and Ag—Pi Interactions in Templating Regio Selective Single and Double [2+2] Reactions of N,N'-bis(3-(4-pyridyl)acryloyl)-hydrazine in the Solid State","Chem.Commun.","2011","47","","10740","","10.1039/c1cc13994k","","","0.71073","MoKα","","0.1176","0.0636","","","0.1554","0.174","","","","","","0.991","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106874","17.253","0.006","12.694","0.005","17.639","0.007","90","","116.174","0.011","90","","3467","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7,8,15,16-tetrakis(4-pyridyl)tricycle(12,2,0,06,9) (3,4,11,12)tetra-aza-cyclohexadecane(2,5,10,13)tetraone, hexa hydrate","7,8,15,16-tetrakis(4-pyridyl)tricycle[12,2,0,06,9] [3,4,11,12]tetra-aza-cyclohexadecane[2,5,10,13]tetraone, hexa hydrate","","- C32 H40 N8 O10 -","- C32 H28 N8 O10 -","- C128 H112 N32 O40 -","4","0.5","","Ramkinkar Santra; Kaustuv Banerjee; Kumar Biradha","Weak Ag—Ag and Ag—Pi Interactions in Templating Regio Selective Single and Double [2+2] Reactions of N,N'-bis(3-(4-pyridyl)acryloyl)-hydrazine in the Solid State","Chem.Commun.","2011","47","","10740","","10.1039/c1cc13994k","","","0.71073","MoKα","","0.1239","0.0714","","","0.1857","0.206","","","","","","1.165","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106875","4.7469","0.0009","9.6101","0.0018","17.895","0.003","84.941","0.006","84.373","0.008","80.613","0.006","799.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","r-1,t-3-bis(4-pyridyl)-c-2,t-4-bis(N-(3(4-pyridyl)acryloyl) - hydrazinocarbonyl)cyclobutane,tetra hydrate","r-1,t-3-bis(4-pyridyl)-c-2,t-4-bis(N-(3(4-pyridyl)acryloyl) -hydrazinocarbonyl)cyclobutane,tetra hydrate","","- C32 H36 N8 O8 -","- C32 H36 N8 O8 -","- C32 H36 N8 O8 -","1","0.5","","Ramkinkar Santra; Kaustuv Banerjee; Kumar Biradha","Weak Ag—Ag and Ag—Pi Interactions in Templating Regio Selective Single and Double [2+2] Reactions of N,N'-bis(3-(4-pyridyl)acryloyl)-hydrazine in the Solid State","Chem.Commun.","2011","47","","10740","","10.1039/c1cc13994k","","","0.71073","MoKα","","0.0973","0.0668","","","0.1796","0.2007","","","","","","1.242","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106876","6.249","0.002","16.225","0.003","16.62","0.003","90","","91.93","0.02","90","","1684.1","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H44 O9 -","- C39 H44 O9 -","- C78 H88 O18 -","2","1","","Christian Brand; Markus Granitzka; Dietmar Stalke; Daniel B. Werz","Reducing the conformational flexibility of carbohydrates: locking the 6-hydroxyl group by cyclopropanes","Chem.Commun.","2011","47","","10782","","10.1039/c1cc14025f","","","0.71073","MoKα","","0.0348","0.031","","","0.0732","0.076","","","","","","1.042","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106877","12.455","0.005","15.315","0.006","32.002","0.013","90","","90","","90","","6104","4","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 N2 O6 -","- C58 H54 N2 O6 -","- C232 H216 N8 O24 -","4","1","","Seiji Shirakawa; Shogo J. Terao; Rongjun He; Keiji Maruoka","Diastereo- and enantioselective conjugate addition of a-substituted nitroacetates to maleimides under base-free neutral phase-transfer conditions","Chem.Commun.","2011","47","","10557","","10.1039/c1cc14043d","","","0.71075","MoKα","","","0.1175","","","","0.3484","","","","","","1.36","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106878","6.21622","0.00015","14.1578","0.0003","24.7401","0.0007","90","","90","","90","","2177.33","0.09","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O6 -","- C22 H21 Br N2 O6 -","- C88 H84 Br4 N8 O24 -","4","1","","Seiji Shirakawa; Shogo J. Terao; Rongjun He; Keiji Maruoka","Diastereo- and enantioselective conjugate addition of a-substituted nitroacetates to maleimides under base-free neutral phase-transfer conditions","Chem.Commun.","2011","47","","10557","","10.1039/c1cc14043d","","","1.54187","CuKα","","","0.0508","","","","0.1326","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106879","9.089","0.003","10.451","0.003","12.182","0.004","90","","110.965","0.005","90","","1080.6","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 O4 -","- C11 H13 O3.996 -","- C44 H52 O15.984 -","4","1","","Martin Wolffs; Matthew J. Kade; Craig J. Hawker","An energy efficient and facile synthesis of high molecular weight polyesters using ketenes","Chem.Commun.","2011","47","","10572","","10.1039/c1cc14055h","","","0.71073","MoKα","","0.0853","0.0602","","","0.1604","0.1691","","","","","","2.294","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106880","15.384","0.0011","15.384","0.0011","15.384","0.0011","90","","90","","90","","3640.9","0.5","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl Cu4 O16 -","- C24 H8 Cl Cu4 O16 -","- C72 H24 Cl3 Cu12 O48 -","3","0.0625","","Yan-Xi Tan; Yan-Ping He; Jian Zhang","Pore partition effect on gas sorption properties of an anionic metal-organic framework with exposed Cu2+ coordination sites","Chem.Commun.","2011","47","","10647","","10.1039/c1cc14118j","","","0.71073","MoKα","","0.0558","0.0533","","","0.2285","0.2307","","","","","","1.154","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106881","9.496","0.0014","28.054","0.004","9.6399","0.0014","90","","104.693","0.002","90","","2484.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Br N O2 S -","- C27 H30 Br N O2 S -","- C108 H120 Br4 N4 O8 S4 -","4","1","","Daniel Mendoza-Espinosa; Gael Ung; Bruno Donnadieu; Guy Bertrand","Mesoionic thiazol-5-ylidenes as ligands for transition metal complexes","Chem.Commun.","2011","47","","10614","","10.1039/c1cc14165a","","","0.71073","MoKα","","0.0459","0.0319","","","0.0887","0.1178","","","","","","1.12","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106882","18.17","0.004","9.7695","0.0015","24.734","0.004","90","","99.134","0.003","90","","4334.9","1.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Au Cl N S -","- C24 H21 Au Cl N S -","- C192 H168 Au8 Cl8 N8 S8 -","8","1","","Daniel Mendoza-Espinosa; Gael Ung; Bruno Donnadieu; Guy Bertrand","Mesoionic thiazol-5-ylidenes as ligands for transition metal complexes","Chem.Commun.","2011","47","","10614","","10.1039/c1cc14165a","","","0.71073","MoKα","","0.0732","0.0648","","","0.2058","0.2243","","","","","","1.174","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106883","10.8198","0.0016","13.068","0.002","13.544","0.002","103.008","0.014","105.267","0.013","97.518","0.014","1762.8","0.5","150","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 Br2 O4 -","- C42 H38 Br2 O4 -","- C84 H76 Br4 O8 -","2","1","","Rekha Singh; Sunil K. Ghosh","Synthesis of substituted [3]dendralenes and their unique cycloaddition reactions","Chem.Commun.","2011","47","","10809","","10.1039/c1cc14211a","","","0.71073","MoKα","","0.0468","0.0348","","","0.0898","0.0921","","","","","","1.065","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106884","9.5503","0.0003","10.1764","0.0003","20.2212","0.0006","84.721","0.001","81.817","0.001","69.262","0.001","1817.37","0.1","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C37.5 H36 B0.5 Cl0.5 F2 I N2 Ni P2 -","- C37.5 H32 B0.5 Cl0.5 F2 I N2 Ni P2 -","- C75 H64 B Cl F4 I2 N4 Ni2 P4 -","2","1","","Tim Kosterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of complexes bearing NH,NMe-substituted NHCs by oxidative addition of 2-halogenato-N-methylbenzimidazoles to Ni0+","Chem.Commun.","2011","47","","10773","","10.1039/c1cc14243g","","","0.71073","MoKα","","0.0795","0.0605","","","0.1739","0.1899","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106885","9.1013","0.0005","30.6853","0.0018","9.4384","0.0006","90","","90.129","0.001","90","","2635.9","0.3","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 B Cl F4 N2 Ni P2 -","- C20 H38 B Cl F4 N2 Ni P2 -","- C80 H152 B4 Cl4 F16 N8 Ni4 P8 -","4","1","","Tim Kosterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of complexes bearing NH,NMe-substituted NHCs by oxidative addition of 2-halogenato-N-methylbenzimidazoles to Ni0+","Chem.Commun.","2011","47","","10773","","10.1039/c1cc14243g","","","0.71073","MoKα","","0.0558","0.0389","","","0.0997","0.1032","","","","","","0.953","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106886","11.606","0.0004","16.3414","0.0006","15.5441","0.0005","90","","104.389","0.001","90","","2855.59","0.17","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 Cl F6 N2 Ni P3 -","- C20 H38 Cl F6 N2 Ni P3 -","- C80 H152 Cl4 F24 N8 Ni4 P12 -","4","1","","Tim Kosterke; Tania Pape; F. Ekkehardt Hahn","Synthesis of complexes bearing NH,NMe-substituted NHCs by oxidative addition of 2-halogenato-N-methylbenzimidazoles to Ni0+","Chem.Commun.","2011","47","","10773","","10.1039/c1cc14243g","","","0.71073","MoKα","","0.0539","0.0433","","","0.119","0.1274","","","","","","1.032","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106887","8.0582","0.0002","9.9181","0.0003","9.9557","0.0003","62.2103","0.0015","85.9715","0.0014","87.9363","0.0012","702.17","0.04","150","","150","","","","","","","","synthetic","3","P -1","-P 1","2","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C38 H28 N4 -","2","1","","Timothy J. Donohoe; John F. Bower; David B. Baker; Jose A. Basutto; Louis K. M. Chan; Peter Gallagher","Synthesis of 2,4,6-Trisubstituted Pyridines via an Olefin Cross-Metathesis/Heck-Cyclisation-Elimination Sequence","Chem.Commun.","2011","47","","10611","","10.1039/c1cc14257g","","","0.71073","MoKα","","0.0539","0.0431","","0.1224","0.1084","0.1224","","","","","","0.944","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106888","8.379","0.001","20.249","0.002","25.948","0.003","90","","90.475","0.003","90","","4402.4","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H47 Au2 N4 O3 P2 S2 -","- C43.5 H46 Au2 N4 O3 P2 S2 -","- C174 H184 Au8 N16 O12 P8 S8 -","4","1","","Semi Han; Yu Young Yoon; Ok-Sang Jung; Young-A Lee","Luminescence on-off switching via reversible interconversion between inter- and intramolecular aurophilic interactions","Chem.Commun.","2011","47","","10689","","10.1039/c1cc14351d","","","0.71073","MoKα","","0.0542","0.0376","","","0.0992","0.1096","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106889","16.081","0.002","16.247","0.002","18.831","0.003","90","","108.078","0.003","90","","4677.1","1.1","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 Au2 F6 N4 O4 P2 S2 -","- C45 H38 Au2 F6 N4 O4 P2 S2 -","- C180 H152 Au8 F24 N16 O16 P8 S8 -","4","1","","Semi Han; Yu Young Yoon; Ok-Sang Jung; Young-A Lee","Luminescence on-off switching via reversible interconversion between inter- and intramolecular aurophilic interactions","Chem.Commun.","2011","47","","10689","","10.1039/c1cc14351d","","","0.71073","MoKα","","0.0665","0.0428","","","0.0874","0.101","","","","","","1.003","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106890","17.2563","0.0014","12.7259","0.001","20.0652","0.0012","90","","125.229","0.005","90","","3599.3","0.5","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(PNP)Rh(TiCl3)(Cl)","","","- C32 H45 Cl4 F N P2 Rh Ti -","- C32 H45 Cl4 F N P2 Rh Ti -","- C128 H180 Cl16 F4 N4 P8 Rh4 Ti4 -","4","1","","and; Dan A. Smith; Oleg V. Ozerov","Early-Late Heterobimetallic Rh-Ti and Rh-Zr Complexes via Addition of Early Metal Chlorides to Mono- and Divalent Rhodium","Chem.Commun.","2011","47","","10779","","10.1039/c1cc14373e","","","0.71073","MoKα","","0.0285","0.0224","","","0.0541","0.0566","","","","","","1.042","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106891","17.021","0.002","12.9851","0.0015","19.9047","0.0016","90","","123.275","0.007","90","","3678","0.7","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(PNP)Rh(ZrCl3)(Cl)","","","- C32 H40 Cl4 D6 N P2 Rh Zr -","- C32 H40 Cl4 N P2 Rh Zr -","- C128 H160 Cl16 N4 P8 Rh4 Zr4 -","4","1","","and; Dan A. Smith; Oleg V. Ozerov","Early-Late Heterobimetallic Rh-Ti and Rh-Zr Complexes via Addition of Early Metal Chlorides to Mono- and Divalent Rhodium","Chem.Commun.","2011","47","","10779","","10.1039/c1cc14373e","","","0.71073","MoKα","","0.0324","0.0275","","","0.0675","0.0697","","","","","","1.122","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106892","16.074","0.003","13.947","0.002","20.445","0.003","90","","124.232","0.01","90","","3789.4","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Cl8 N P2 Rh Zr -","- C28 H44 Cl8 N P2 Rh Zr -","- C112 H176 Cl32 N4 P8 Rh4 Zr4 -","4","1","","and; Dan A. Smith; Oleg V. Ozerov","Early-Late Heterobimetallic Rh-Ti and Rh-Zr Complexes via Addition of Early Metal Chlorides to Mono- and Divalent Rhodium","Chem.Commun.","2011","47","","10779","","10.1039/c1cc14373e","","","0.71073","MoKα","","0.04","0.0307","","","0.0803","0.0864","","","","","","1.027","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106893","6.7819","0.001","9.9518","0.0014","11.0663","0.0016","100.453","0.003","94.859","0.003","103.049","0.003","709.34","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-mercapto-1,3-di(ethoxycarbonyl)azulene","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C32 H32 O8 S2 -","2","1","","Brad M. Neal; Alexander S. Vorushilov; Anna M. DeLarosa; Randall E. Robinson; Cindy L. Berrie; Mikhail V. Barybin","Ancillary nitrile substituents as convenient IR spectroscopic reporters for self-assembly of mercapto- and isocyanoazulenes on Au(111)","Chem.Commun.","2011","47","","10803","","10.1039/c1cc14554a","","","0.71073","MoKα","","0.0671","0.0555","","","0.1357","0.1425","","","","","","1.059","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106894","10.851","0.0008","11.3172","0.0008","22.8051","0.0013","76.43","0.006","80.054","0.005","66.93","0.007","2494.4","0.3","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C39 H72 Fe N4 Si4 -","- C39 H72 Fe N4 Si4 -","- C78 H144 Fe2 N8 Si8 -","2","1","","Richard A. Layfield; Joseph J. W. McDouall; Manfred Scheer; Christoph Schwarzmaier; Floriana Tuna","Structure and bonding in three-coordinate N-heterocyclic carbene adducts of iron(II) bis(trimethylsilyl)amide","Chem.Commun.","2011","47","","10623","10625","10.1039/c1cc14576b","","x-ray","1.54178","CuKα","","0.0365","0.0332","","","0.088","0.0913","","","","","","1.065","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106895","16.6461","0.0003","14.289","0.0003","16.7741","0.0003","90","","99.705","0.002","90","","3932.72","0.13","123","","123","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H60 Fe N4 Si4 -","- C33 H60 Fe N4 Si4 -","- C132 H240 Fe4 N16 Si16 -","4","0.5","","Richard A. Layfield; Joseph J. W. McDouall; Manfred Scheer; Christoph Schwarzmaier; Floriana Tuna","Structure and bonding in three-coordinate N-heterocyclic carbene adducts of iron(II) bis(trimethylsilyl)amide","Chem.Commun.","2011","47","","10623","10625","10.1039/c1cc14576b","","x-ray","1.54184","CuKα","","0.0419","0.0408","","","0.1068","0.1079","","","","","","1.046","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106896","11.8838","0.0007","21.2674","0.0013","15.6935","0.001","90","","104.187","0.001","90","","3845.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H38 Fe N2 -","- C51 H38 Fe N2 -","- C204 H152 Fe4 N8 -","4","2","","Bin Hu; Meng Meng; John S. Fossey; Weimin Mo; Xinquan Hu; Wei-Ping Deng","Optically pure bulky (hetero)arylalkyl carbinols via kinetic resolution","Chem.Commun.","2011","47","","10632","","10.1039/c1cc14591f","","","0.71073","MoKα","","0.0525","0.0417","","","0.093","0.0974","","","","","","0.951","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106897","7.7041","0.0004","12.8566","0.0008","13.6517","0.0008","106.59","0.005","94.813","0.005","100.864","0.005","1258.97","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H62 Bi4 Mo4 O2 -","- C55 H62 Bi4 Mo4 O2 -","- C55 H62 Bi4 Mo4 O2 -","1","0.5","","Christina Knispel; Christian Limberg; Carolin Tschersich","A molecular Mo4Bi4 framework composed exclusively of unsupported metal-metal bonds","Chem.Commun.","2011","47","","10794","","10.1039/c1cc14616e","","","0.71073","MoKα","","0.0766","0.0547","","","0.1105","0.117","","","","","","1.128","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106898","18.406","0.002","41.162","0.005","20.075","0.002","90","","107.58","0.02","90","","14499","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C210 H186 Cl18 Cu8 F48 N74 O51 S16 -","- C210 H180 Cl18 Cu8 F48 N74 O51 S16 -","- C420 H360 Cl36 Cu16 F96 N148 O102 S32 -","2","0.5","","Nathalie Parizel; Juan Ramirez; Christophe Burg; Sylvie Choua; Maxime Bernard; Serge Gambarelli; Vincent Maurel; Lydia Brelot; Jean-Marie Lehn; Philippe Turek; Adrian-Mihail Stadler","Modulation of self-assembly and magnetism of Cu(II) grids in solution","Chem.Commun.","2011","47","","10951","","10.1039/c0cc01612h","","","0.71073","MoKα","","0.1787","0.0944","","","0.2481","0.3015","","","","","","1.028","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106899","10.3216","0.0003","11.1123","0.0003","19.8965","0.0005","87.112","0.002","82.405","0.002","69.908","0.001","2124.35","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Cu2 F12 N10 O13 S4 -","- C26 H26 Cu2 F12 N10 O13 S4 -","- C52 H52 Cu4 F24 N20 O26 S8 -","2","1","","Nathalie Parizel; Juan Ramirez; Christophe Burg; Sylvie Choua; Maxime Bernard; Serge Gambarelli; Vincent Maurel; Lydia Brelot; Jean-Marie Lehn; Philippe Turek; Adrian-Mihail Stadler","Modulation of self-assembly and magnetism of Cu(II) grids in solution","Chem.Commun.","2011","47","","10951","","10.1039/c0cc01612h","","","0.71073","MoKα","","0.0862","0.0511","","","0.1307","0.164","","","","","","1.061","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106900","23.0185","0.0004","20.8028","0.0003","28.2909","0.0006","90","","90","","90","","13547.1","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C89 H87 Cu4 F21 N37 O21 S7 -","- C89 H78 Cu4 F21 N37 O21 S7 -","- C356 H312 Cu16 F84 N148 O84 S28 -","4","0.5","","Nathalie Parizel; Juan Ramirez; Christophe Burg; Sylvie Choua; Maxime Bernard; Serge Gambarelli; Vincent Maurel; Lydia Brelot; Jean-Marie Lehn; Philippe Turek; Adrian-Mihail Stadler","Modulation of self-assembly and magnetism of Cu(II) grids in solution","Chem.Commun.","2011","47","","10951","","10.1039/c0cc01612h","","","0.71073","MoKα","","0.1665","0.1047","","","0.294","0.3277","","","","","","1.035","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106901","7.1889","0.001","24.444","0.003","18.818","0.002","90","","90","","90","","3306.8","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cu-DCM","","","- C35 H23 Cu2 N4 O15 -","- C35 H17 Cu2 N4 O15 -","- C140 H68 Cu8 N16 O60 -","4","0.5","","Chandan Dey; Raja Das; Binoy Krishna Saha; Pankaj Poddar; Rahul Banerjee","Design and in situ synthesis of a Cu-based porous framework featuring isolated double chain magnetic character","Chem.Commun.","2011","47","","11008","","10.1039/c1cc13418c","","","0.71073","MoKα","","0.1346","0.0554","","","0.1026","0.1151","","","","","","0.843","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106902","27.7602","0.0009","27.4445","0.0008","22.1179","0.0006","90","","96.006","0.002","90","","16758.4","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H84 Ca Cl8 Mn4 N6 O20 -","- C72 H76 Ca Mn4 N6 O20 -","- C576 H608 Ca8 Mn32 N48 O160 -","8","1","","Evangelia S. Koumousi; Shreya Mukherjee; Christine M. Beavers; Simon J. Teat; George Christou; Theocharis C. Stamatatos","Towards models of the oxygen-evolving complex (OEC) of photosystem II: a Mn4Ca cluster of relevance to low oxidation states of the OEC","Chem.Commun.","2011","47","","11128","","10.1039/c1cc13770k","","","0.7749","synchrotron","","0.1072","0.091","","","0.2788","0.2968","","","","","","1.059","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106903","13.9989","0.0005","16.5857","0.0006","17.2342","0.0007","117.95","0.004","100.287","0.003","103.188","0.003","3246.3","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H53 Cl2 N19 O10 Ru -","- C68 H53 Cl2 N19 O10 Ru -","- C136 H106 Cl4 N38 O20 Ru2 -","2","1","","Satish S. Bhat; Avinash S. Kumbhar; Anupa A. Kumbhar; Ayesha Khan; Peter Lonnecke; Evamarie Hey-Hawkins","Ruthenium(II) polypyridyl complexes as carriers for DNA delivery","Chem.Commun.","2011","47","","11068","","10.1039/c1cc13863d","","","0.71073","MoKα","","0.0784","0.0522","","","0.1423","0.1519","","","","","","0.967","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106904","8.741","0.005","14.796","0.005","19.34","0.005","90","0.005","90","0.005","90","0.005","2501.3","1.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O8 Zn -","- C17 H18 N4 O8 Zn -","- C68 H72 N16 O32 Zn4 -","4","1","","Prakash Kanoo; Ritesh Haldar; Soumya T. Cyriac; Tapas Kumar Maji","Coordination driven axial chirality in a microporous solid assembled from an achiral linker via in situ C-N coupling","Chem.Commun.","2011","47","","11038","","10.1039/c1cc13877d","","","0.71073","MoKα","","0.1677","0.086","","","0.22","0.2689","","","","","","0.924","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106905","25.4628","0.0007","9.8868","0.0003","20.2318","0.0006","90","","123.974","0.003","90","","4223.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cd2 N8 O17 -","- C34 H34 Cd2 N8 O17 -","- C136 H136 Cd8 N32 O68 -","4","0.5","","Prakash Kanoo; Ritesh Haldar; Soumya T. Cyriac; Tapas Kumar Maji","Coordination driven axial chirality in a microporous solid assembled from an achiral linker via in situ C-N coupling","Chem.Commun.","2011","47","","11038","","10.1039/c1cc13877d","","","0.71073","MoKα","","0.0445","0.0385","","","0.0944","0.098","","","","","","1.095","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106906","16.731","0.004","12.77","0.003","16.848","0.004","90","","90","","90","","3599.7","1.5","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H54 Ca O6 Si8 -","- C18 H43.4916 Ca O6 Si8 -","- C72 H173.966 Ca4 O24 Si32 -","4","","","Bryan Carlson; Adelia J. A. Aquino; Louisa J. Hope-Weeks; Bruce Whittlesey; Brian McNerney; William L. Hase; Clemens Krempner","Homoleptic tris(methoxydimethylsilyl)silanides of the alkaline earth metals: first zwitterionic silanides with two naked silyl anions","Chem.Commun.","2011","47","","11089","","10.1039/c1cc13933a","","","0.71073","MoKα","","0.0427","0.0357","","","0.0907","0.0969","","","","","","1.007","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106907","21.499","0.005","17.291","0.004","26.008","0.006","90","","100.524","0.002","90","","9506","4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H54 Ba O6 Si8 -","- C18 H54 Ba O6 Si8 -","- C180 H540 Ba10 O60 Si80 -","10","2.5","","Bryan Carlson; Adelia J. A. Aquino; Louisa J. Hope-Weeks; Bruce Whittlesey; Brian McNerney; William L. Hase; Clemens Krempner","Homoleptic tris(methoxydimethylsilyl)silanides of the alkaline earth metals: first zwitterionic silanides with two naked silyl anions","Chem.Commun.","2011","47","","11089","","10.1039/c1cc13933a","","","0.71073","MoKα","","0.0762","0.0461","","","0.1054","0.1263","","","","","","0.909","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106908","16.8439","0.0016","12.8565","0.0012","16.9429","0.0016","90","","90","","90","","3669","0.6","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H54 O6 Si8 Sr -","- C17.646 H42.848 O6 Si8 Sr -","- C70.584 H171.392 O24 Si32 Sr4 -","4","","","Bryan Carlson; Adelia J. A. Aquino; Louisa J. Hope-Weeks; Bruce Whittlesey; Brian McNerney; William L. Hase; Clemens Krempner","Homoleptic tris(methoxydimethylsilyl)silanides of the alkaline earth metals: first zwitterionic silanides with two naked silyl anions","Chem.Commun.","2011","47","","11089","","10.1039/c1cc13933a","","","0.71073","MoKα","","0.046","0.0349","","","0.0869","0.095","","","","","","1.028","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106909","9.8056","0.001","12.7931","0.0013","13.7123","0.0014","90","","95.462","0.001","90","","1712.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H54 Mg O6 Si8 -","- C18 H54 Mg O6 Si8 -","- C36 H108 Mg2 O12 Si16 -","2","0.5","","Bryan Carlson; Adelia J. A. Aquino; Louisa J. Hope-Weeks; Bruce Whittlesey; Brian McNerney; William L. Hase; Clemens Krempner","Homoleptic tris(methoxydimethylsilyl)silanides of the alkaline earth metals: first zwitterionic silanides with two naked silyl anions","Chem.Commun.","2011","47","","11089","","10.1039/c1cc13933a","","","0.71073","MoKα","","0.0619","0.0379","","","0.0735","0.082","","","","","","1.043","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106910","5.887","0.002","7.94","0.002","36.911","0.011","90","","90","","90","","1725.3","0.9","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Simon Lamare; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Incorporation of zinc(II) porphyrins in polyaniline in its perigraniline form leading to polymers with the lowest band gap","Chem.Commun.","2011","47","","10942","","10.1039/c1cc14026d","","","0.71073","MoKα","","0.1687","0.0549","","","0.1179","0.1492","","","","","","0.886","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106911","5.793","0.002","8.312","0.005","36.68","0.013","90","","90","","90","","1766.2","1.4","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C18 H10 F4 I2 N2 -","- C18 H10 F4 I2 N2 -","- C72 H40 F16 I8 N8 -","4","0.5","","Simon Lamare; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Incorporation of zinc(II) porphyrins in polyaniline in its perigraniline form leading to polymers with the lowest band gap","Chem.Commun.","2011","47","","10942","","10.1039/c1cc14026d","","","0.71073","MoKα","","0.1149","0.0503","","","0.1172","0.133","","","","","","1.02","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106912","8.632","0.002","10.136","0.005","13.097","0.006","72.46","0.04","78.12","0.03","79.22","0.04","1059.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 I2 N2 -","- C22 H22 I2 N2 -","- C44 H44 I4 N4 -","2","1","","Simon Lamare; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Incorporation of zinc(II) porphyrins in polyaniline in its perigraniline form leading to polymers with the lowest band gap","Chem.Commun.","2011","47","","10942","","10.1039/c1cc14026d","","","0.71073","MoKα","","0.1141","0.0593","","","0.1439","0.1639","","","","","","1.014","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106913","15.448","0.004","19.37","0.004","17.834","0.005","90","","91.45","0.012","90","","5335","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Cl4 Dy2 N4 O9 -","- C52 H50 Cl4 Dy2 N4 O9 -","- C208 H200 Cl16 Dy8 N16 O36 -","4","1","","Po-Heng Lin; Wen-Bin Sun; Mang-Fei Yu; Guang-Ming Li; Peng-Fei Yan; Muralee Murugesu","An unsymmetrical coordination environment leading to two slow relaxation modes in a Dy2 single-molecule magnet","Chem.Commun.","2011","47","","10993","","10.1039/c1cc14223b","","","0.71073","MoKα","","0.0416","0.0272","","","0.0615","0.0666","","","","","","1.029","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106914","11.9873","0.0005","12.6398","0.0005","14.0357","0.0009","112.456","0.001","101.556","0.001","105.777","0.001","1777.28","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H78 Dy4 N6 O18 -","- C66 H78 Dy4 N6 O18 -","- C66 H78 Dy4 N6 O18 -","1","0.5","","Po-Heng Lin; Wen-Bin Sun; Mang-Fei Yu; Guang-Ming Li; Peng-Fei Yan; Muralee Murugesu","An unsymmetrical coordination environment leading to two slow relaxation modes in a Dy2 single-molecule magnet","Chem.Commun.","2011","47","","10993","","10.1039/c1cc14223b","","","0.71073","MoKα","","0.0374","0.0253","","","0.0542","0.0601","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106915","14.59","0.002","14.59","0.002","13.553","0.003","90","","90","","90","","2885","0.8","223","2","223","2","","","","","","","","7","I 4 m m","I 4 -2","107","","","","- C42 H52 F12 Mn N4 O9 P2 -","- C42 H52 F12 Mn N4 O9 P2 -","- C84 H104 F24 Mn2 N8 O18 P4 -","2","0.125","","Lei-Lei Liu; Hong-Xi Li; Li-Min Wan; Zhi-Gang Ren; Hui-Fang Wang; Jian-Ping Lang","A Mn(III)-superoxo complex of a zwitterionic calix[4]arene with an unprecedented linear end-on Mn(III)-O2 arrangement and good catalytic performance for alkene epoxidation","Chem.Commun.","2011","47","","11146","","10.1039/c1cc14262c","","","0.71073","MoKα","","0.1376","0.1331","","","0.3268","0.3309","","","","","","1.192","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106916","14.607","0.001","14.607","0.001","13.5758","0.0012","90","","90","","90","","2896.6","0.4","223","2","223","2","","","","","","","","7","I 4 m m","I 4 -2","107","","","","- C40 H62 F12 Mn N4 O11 P2 -","- C40 H62.08 F12 Mn N4 O11 P2 -","- C80 H124.16 F24 Mn2 N8 O22 P4 -","2","0.125","","Lei-Lei Liu; Hong-Xi Li; Li-Min Wan; Zhi-Gang Ren; Hui-Fang Wang; Jian-Ping Lang","A Mn(III)-superoxo complex of a zwitterionic calix[4]arene with an unprecedented linear end-on Mn(III)-O2 arrangement and good catalytic performance for alkene epoxidation","Chem.Commun.","2011","47","","11146","","10.1039/c1cc14262c","","","0.71073","MoKα","","0.069","0.0602","","","0.1486","0.1514","","","","","","1.059","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106917","8.6745","0.0012","13.3919","0.0018","19.262","0.003","90","","90","","90","","2237.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl F3 N O5 -","- C23 H21 Cl F3 N O5 -","- C92 H84 Cl4 F12 N4 O20 -","4","1","","Qin-Hua Li; Min-Chao Tong; Jun Li; Hai-Yan Tao; Chun-Jiang Wang","Asymmetric construction of trifluoromethylated pyrrolidines via Cu(I)-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with 4,4,4-trifluorocrotonates","Chem.Commun.","2011","47","","11110","","10.1039/c1cc14295j","","","0.71073","MoKα","","0.05","0.0353","","","0.0775","0.0845","","","","","","1.025","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106918","14.795","0.0017","15.6582","0.0017","20.39","0.002","90","","90","","90","","4723.6","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl F3 N O5 -","- C23 H21 Cl F3 N O5 -","- C184 H168 Cl8 F24 N8 O40 -","8","2","","Qin-Hua Li; Min-Chao Tong; Jun Li; Hai-Yan Tao; Chun-Jiang Wang","Asymmetric construction of trifluoromethylated pyrrolidines via Cu(I)-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with 4,4,4-trifluorocrotonates","Chem.Commun.","2011","47","","11110","","10.1039/c1cc14295j","","","0.71073","MoKα","","0.07","0.0422","","","0.0827","0.0945","","","","","","1.015","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106919","17.7","0.0019","18.053","0.002","8.6682","0.0009","90","","103.843","0.011","90","","2689.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cu2 N12 O23 -","- C44 H40 Cu2 N12 O23 -","- C88 H80 Cu4 N24 O46 -","2","0.5","","Guo-Qiang Kong; Xuan Xu; Chao Zou; Chuan-De Wu","Two meta-organic frameworks based on a double azolium derivative: post-modification and catalytic activity","Chem.Commun.","2011","47","","11005","","10.1039/c1cc14393j","","","0.71073","MoKα","","0.1236","0.0819","","","0.1971","0.2243","","","","","","1.167","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106920","10.7438","0.0007","14.344","0.0007","13.8748","0.0006","90","","98.959","0.005","90","","2112.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl2 Cu N4 O5 -","- C21 H18 Cl2 Cu N4 O5 -","- C84 H72 Cl8 Cu4 N16 O20 -","4","1","","Guo-Qiang Kong; Xuan Xu; Chao Zou; Chuan-De Wu","Two meta-organic frameworks based on a double azolium derivative: post-modification and catalytic activity","Chem.Commun.","2011","47","","11005","","10.1039/c1cc14393j","","","0.71073","MoKα","","0.1084","0.0438","","","0.0495","0.0532","","","","","","0.902","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106921","8.608","0.0009","14.0907","0.0014","24.267","0.003","90","","99.829","0.002","90","","2900.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H96 Li6 N12 O2 S4 -","- C42 H96 Li6 N12 O2 S4 -","- C84 H192 Li12 N24 O4 S8 -","2","0.5","","Margret Mainholz; Elena Carl; Ella Kriemen; Dietmar Stalke","Peroxide solvation by a toroidal lithium inverse crown ether complex assembled by multidentate polyimido sulfonates","Chem.Commun.","2011","47","","10948","","10.1039/c1cc14466a","","","0.71073","MoKα","","0.0651","0.0491","","","0.1056","0.1127","","","","","","1.073","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106922","9.29","0.004","10.294","0.004","13.291","0.005","104.106","0.005","99.841","0.005","96.454","0.005","1198.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 Cl2 N O -","- C30 H21 Cl2 N O -","- C60 H42 Cl4 N2 O2 -","2","1","","Yong Luo; Jie Wu","Palladium-catalyzed reaction of 2-alkynylhalobenzene with 2-alkynylbenzamide: an efficient approach to indeno[1,2-c]azepin-3(2H)-ones","Chem.Commun.","2011","47","","11137","","10.1039/c1cc14480d","","","0.71073","MoKα","","0.0825","0.0608","","","0.1664","0.1832","","","","","","1.019","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7106923","7.0007","0.0008","10.4842","0.0008","12.8845","0.0012","103.453","0.008","95.091","0.003","95.585","0.003","909.29","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C40 H38 N2 O8 S2 -","2","1","","Deyun Qian; Junliang Zhang","A gold(I)-catalyzed intramolecular oxidation-cyclopropanation sequence of 1,6-enynes: a convenient access to [n.1.0]bicycloalkanes","Chem.Commun.","2011","47","","11152","","10.1039/c1cc14788a","","","0.71073","MoKα","","0.0501","0.0471","","","0.1301","0.1329","","","","","","1.088","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106924","11.5738","0.0002","11.8493","0.0002","17.8777","0.0003","71.202","0.001","73.601","0.001","74.227","0.001","2181.98","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 B2 F8 N2 P2 Pd -","- C44 H52 B2 F8 N2 P2 Pd -","- C88 H104 B4 F16 N4 P4 Pd2 -","2","1","","Florian C. Falk; Roland Frohlich; Jan Paradies","Coupling of ortho-substituted aryl chlorides with bulky amides","Chem.Commun.","2011","47","","11095","","10.1039/c1cc14844c","","","0.71073","MoKα","","0.0567","0.0502","","","0.1179","0.1242","","","","","","1.035","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106925","12.1729","0.0001","16.7826","0.0002","21.2782","0.0003","90","","100.027","0.001","90","","4280.59","0.09","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H41.5 B2 F8 N2.5 P2 Pd -","- C45 H41.5 B2 F8 N2.5 P2 Pd -","- C180 H166 B8 F32 N10 P8 Pd4 -","4","1","","Florian C. Falk; Roland Frohlich; Jan Paradies","Coupling of ortho-substituted aryl chlorides with bulky amides","Chem.Commun.","2011","47","","11095","","10.1039/c1cc14844c","","","0.71073","MoKα","","0.0615","0.0493","","","0.1137","0.1243","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106926","8.9076","0.0002","10.8103","0.0002","16.3061","0.0004","92.514","0.001","93.546","0.001","101.289","0.001","1534.33","0.06","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H34 P2 -","- C40 H34 P2 -","- C80 H68 P4 -","2","1","","Florian C. Falk; Roland Frohlich; Jan Paradies","Coupling of ortho-substituted aryl chlorides with bulky amides","Chem.Commun.","2011","47","","11095","","10.1039/c1cc14844c","","","0.71073","MoKα","","0.0905","0.0773","","","0.1905","0.2044","","","","","","1.029","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106927","8.7264","0.0002","11.1117","0.0003","12.1982","0.0003","81.623","0.001","73.365","0.001","78.493","0.001","1105.57","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br P -","- C28 H24 Br P -","- C56 H48 Br2 P2 -","2","1","","Florian C. Falk; Roland Frohlich; Jan Paradies","Coupling of ortho-substituted aryl chlorides with bulky amides","Chem.Commun.","2011","47","","11095","","10.1039/c1cc14844c","","","0.71073","MoKα","","0.0537","0.0464","","","0.1169","0.1252","","","","","","1.063","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106928","7.9519","0.0001","17.2205","0.0003","16.6525","0.0004","90","","93.739","0.001","90","","2275.47","0.07","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br P S -","- C28 H24 Br P S -","- C112 H96 Br4 P4 S4 -","4","1","","Florian C. Falk; Roland Frohlich; Jan Paradies","Coupling of ortho-substituted aryl chlorides with bulky amides","Chem.Commun.","2011","47","","11095","","10.1039/c1cc14844c","","","0.71073","MoKα","","0.0755","0.0523","","","0.1022","0.1178","","","","","","1.05","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106929","8.7032","0.0002","10.988","0.0002","11.9218","0.0003","82.583","0.001","76.308","0.001","78.288","0.002","1080.69","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Br O P -","- C28 H24 Br O P -","- C56 H48 Br2 O2 P2 -","2","1","","Florian C. Falk; Roland Frohlich; Jan Paradies","Coupling of ortho-substituted aryl chlorides with bulky amides","Chem.Commun.","2011","47","","11095","","10.1039/c1cc14844c","","","1.54178","CuKα","","0.0529","0.0487","","","0.1307","0.1359","","","","","","1.067","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106930","23.49","0.005","16.875","0.003","24.537","0.005","90","","90","","90","","9726","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C100 H160 Cu2 N8 O12 -","- C100 H160 Cu2 N8 O12 -","- C400 H640 Cu8 N32 O48 -","4","0.5","","Maria Castellano; Jesus Ferrando-Soria; Emilio Pardo; Miguel Julve; Francesc Lloret; Corine Mathoniere; Jorge Pasan; Catalina Ruiz-Perez; Laura Canadillas-Delgado; Rafael Ruiz-Garcia; Joan Cano","Photoswitching of the antiferromagnetic coupling in an oxamato-based dicopper(II) anthracenophane","Chem.Commun.","2011","47","","11035","","10.1039/c1cc15087a","","x-ray","0.738","synchrotron","","0.0695","0.0641","","","0.1804","0.1918","","","","","","0.957","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106931","15.2922","0.0018","22.693","0.003","26.547","0.003","70.259","0.002","77.455","0.002","80.448","0.002","8421","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H104 Br2 N28 O20 -","- C70 H104 Br2 N28 O20 -","- C280 H416 Br8 N112 O80 -","4","2","","Qiongbo Zhou; Hao Wang; Tian Gao; Yue Yu; Bokai Ling; Lu Mao; Haibo Zhang; Xianggao Meng; Xiaohai Zhou","Supramolecular vesicle: triggered by formation of pseudorotaxane between cucurbit[6]uril and surfactant","Chem.Commun.","2011","47","","11315","","10.1039/c1cc11359c","","","0.71073","MoKα","","0.2398","0.1227","","","0.308","0.3671","","","","","","0.95","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106932","11.3578","0.0013","8.7479","0.001","14.5673","0.0017","90","","103.89","0.002","90","","1405","0.3","301","2","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 Cl2 Mn N5 -","- C28 H31 Cl2 Mn N5 -","- C56 H62 Cl4 Mn2 N10 -","2","1","","Wai-Shan Chow; Yungen Liu; Chi-Ming Che","Practical manganese-catalysed highly enantioselective cis-dihydroxylation of electron-deficient alkenes and detection of a cis-dioxomanganese(V) intermediate by high resolution ESI-MS analysis","Chem.Commun.","2011","47","","11204","","10.1039/c1cc11999k","","","0.71073","MoKα","","0.0343","0.0287","","","0.0671","0.0695","","","","","","1.015","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106933","9.9822","0.0005","16.1523","0.0011","25.744","0.002","104.099","0.003","99.991","0.003","90.458","0.003","3959.3","0.5","123.1","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C71.25 H12 O2 S3.5 -","- C71.25 H12 O2 S3.5 -","- C285 H48 O8 S14 -","4","2","","Jung Hee Choi; Tatsuhiko Honda; Shu Seki; Shunichi Fukuzumi","Relationship between crystal packing and high electron mobility in the single crystal of thienyl-substituted methanofullerene","Chem.Commun.","2011","47","","11213","","10.1039/c1cc13228h","","","0.7107","MoKα","","","0.0693","","","","0.1785","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106934","10.274","0.002","19.101","0.004","19.342","0.004","90","0.0009","91.6161","0.0009","90","0.0009","3794.2","1.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","PCBM","","- C146 H28 O3 S2 -","- C146 H28 O3 S2 -","- C292 H56 O6 S4 -","2","0.5","","Jung Hee Choi; Tatsuhiko Honda; Shu Seki; Shunichi Fukuzumi","Relationship between crystal packing and high electron mobility in the single crystal of thienyl-substituted methanofullerene","Chem.Commun.","2011","47","","11213","","10.1039/c1cc13228h","","","0.7107","MoKα","","0.1019","0.0974","","","0.2289","0.2318","","","","","","1.098","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106935","6.4228","0.0014","8.2906","0.0018","18.331","0.004","77.541","0.003","83.384","0.003","68.854","0.003","888.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Fe3 O7 S4 -","- C11 H8 Fe3 O7 S4 -","- C22 H16 Fe6 O14 S8 -","2","1","","Shishir Ghosh; Graeme Hogarth; Katherine B.Holt; Shariff E. Kabir; Ahibur Rahaman; David G. Unwin","Bio-inspired hydrogenase models: mixed-valence triion complexes as proton reduction catalysts","Chem.Commun.","2011","47","","11222","","10.1039/c1cc13249k","","","0.71073","MoKα","","0.048","0.0417","","","0.1248","0.1411","","","","","","1.051","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106936","25.52","0.016","13.484","0.009","30.207","0.018","90","","94.72","0.01","90","","10359","11","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Fe3 O5.5 P2 S4 -","- C50 H38 Fe3 O5.5 P2 S4 -","- C400 H304 Fe24 O44 P16 S32 -","8","1","","Shishir Ghosh; Graeme Hogarth; Katherine B.Holt; Shariff E. Kabir; Ahibur Rahaman; David G. Unwin","Bio-inspired hydrogenase models: mixed-valence triion complexes as proton reduction catalysts","Chem.Commun.","2011","47","","11222","","10.1039/c1cc13249k","","","0.71073","MoKα","","0.2394","0.1027","","","0.2069","0.2551","","","","","","0.96","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106937","8.799","0.005","11.268","0.006","16.543","0.009","90.571","0.007","90.498","0.014","109.469","0.008","1546.2","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Fe3 O6 P S4 -","- C28 H23 Fe3 O6 P S4 -","- C56 H46 Fe6 O12 P2 S8 -","2","1","","Shishir Ghosh; Graeme Hogarth; Katherine B.Holt; Shariff E. Kabir; Ahibur Rahaman; David G. Unwin","Bio-inspired hydrogenase models: mixed-valence triion complexes as proton reduction catalysts","Chem.Commun.","2011","47","","11222","","10.1039/c1cc13249k","","","0.71073","MoKα","","0.1181","0.0943","","","0.26","0.2787","","","","","","1.052","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106938","10.386","0.006","7.023","0.004","21.231","0.01","90","","111.84","0.02","90","","1437.5","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Lijuan Ma; Xianpei Wang; Wei Yu; Bing Han","TBAI-catalyzed oxidative coupling of aminopyridines with B-keto esters and 1,3-diones‒synthesis of imidazo[1,2-a]pyridines","Chem.Commun.","2011","47","","11333","","10.1039/c1cc13568f","","","0.71073","MoKα","","0.0828","0.048","","","0.1185","0.1411","","","","","","1.021","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106939","9.5379","0.0001","15.4567","0.0002","31.277","0.0004","80.414","0.001","89.342","0.001","87.051","0.001","4540.57","0.1","116","2","116","2","","","","","","","","5","P -1","-P 1","2","4,6-di(octadecylamino)-m-quinone","","","- C43 H81 Cl3 N2 O3 -","- C43 H81 Cl3 N2 O3 -","- C172 H324 Cl12 N8 O12 -","4","2","","Yu Fang; Phuong Nguyen; Oleksandr Ivasenko; Maria Paola Aviles; Eskedar Kebede; Mohammad S. Askari; Xavier Ottenwaelder; Ulrich Ziener; Olivier Siri; Louis A. Cuccia","Charge-assisted hydrogen bond-directed self-assembly of 4,6-di(octadecylamino)-m-quinone at the liquid‒solid interface","Chem.Commun.","2011","47","","11255","","10.1039/c1cc14085j","","","1.54178","CuKα","","0.0931","0.052","","","0.1205","0.1413","","","","","","1.014","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106940","9.4836","0.0014","11.4042","0.0017","19.359","0.004","99.107","0.003","91.948","0.003","113.645","0.002","1882.8","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl N5 O3 Zn -","- C44 H42 Cl N5 O3 Zn -","- C88 H84 Cl2 N10 O6 Zn2 -","2","1","","Jinghan Wen; Cheng-Ying Li; Zhi-Rong Geng; Xiao-Yan Ma; Zhi-Lin Wang","A potent antitumor Zn2+ tetraazamacrocycle complex targeting DNA: the fluorescent recognition, interaction and apoptosis studies","Chem.Commun.","2011","47","","11330","","10.1039/c1cc14107d","","","0.71073","MoKα","","0.0881","0.0588","","","0.1289","0.1363","","","","","","1.099","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106941","8.486","0.004","11.448","0.005","15.685","0.007","90","","97.745","0.009","90","","1509.9","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Hongli Wang; Zhe Li; Gangwei Wang; Shang-Dong Yang","Silver catalyzed intramolecular cyclization for synthesis of 3-alkylideneoxindoles via C-H functionalization","Chem.Commun.","2011","47","","11336","","10.1039/c1cc14394h","","","0.71073","MoKα","","0.1629","0.0703","","","0.1499","0.1973","","","","","","1.018","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106942","4.6021","0.0002","7.3673","0.0004","8.6802","0.0005","90","","90","","90","","294.3","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C4 H16 N8 O8 -","4","1","","Byeongno Lee; Seung Hee Kang; Donghyeon Kang; Kyu Hyung Lee; Jaeheung Cho; Wonwoo Nam; Oc Hee Han; Nam Hwi Hur","Isolation and structural characterization of the elusive 1 : 1 adduct of hydrazine and carbon dioxide","Chem.Commun.","2011","47","","11219","","10.1039/c1cc14542h","","","0.71073","MoKα","","0.0399","0.0394","","","0.1413","0.1422","","","","","","0.999","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106943","13.215","0.002","22.647","0.004","20.966","0.004","90","","100.064","0.003","90","","6178.2","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H84 N4 O10 -","- C65 H84 N4 O10 -","- C260 H336 N16 O40 -","4","1","","Chunju Li; Songhui Chen; Jian Li; Kang Han; Min Xu; Bingjie Hu; Yihua Yu; Xueshun Jia","Novel Neutral Guest Recognition and Interpenetrated Complex Formation from Pillar[5]arenes","Chem.Commun.","2011","47","","11294","","10.1039/c1cc14829j","","","0.71073","MoKα","","0.179","0.0866","","","0.2308","0.2895","","","","","","1.061","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106944","12.29","0.005","14.968","0.006","21.902","0.008","90.837","0.005","90.985","0.005","105.028","0.006","3890","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H76 O13 -","- C55 H70 O13 -","- C110 H140 O26 -","2","1","","Chunju Li; Songhui Chen; Jian Li; Kang Han; Min Xu; Bingjie Hu; Yihua Yu; Xueshun Jia","Novel Neutral Guest Recognition and Interpenetrated Complex Formation from Pillar[5]arenes","Chem.Commun.","2011","47","","11294","","10.1039/c1cc14829j","","","0.71073","MoKα","","0.3605","0.2543","","","0.5858","0.6369","","","","","","1.935","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106945","6.9507","0.0013","16.302","0.003","22.288","0.004","90","","91.155","0.014","90","","2524.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 B S -","- C14 H15 B S -","- C112 H120 B8 S8 -","8","2","","Animesh Das; Alexander Hubner; Mitra Weber; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","9-H-9-Borafluorene dimethyl sulfide adduct: a product of a unique ring-contraction reaction and a useful hydroboration reagent","Chem.Commun.","2011","47","","11339","","10.1039/c1cc14888e","","","0.71073","MoKα","","0.2022","0.0911","","","0.1933","0.2382","","","","","","0.889","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106946","11.1036","0.0005","11.2005","0.0004","19.5494","0.001","90","","105.072","0.004","90","","2347.64","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 B2 O4 -","- C24 H32 B2 O4 -","- C96 H128 B8 O16 -","4","1","","Animesh Das; Alexander Hubner; Mitra Weber; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","9-H-9-Borafluorene dimethyl sulfide adduct: a product of a unique ring-contraction reaction and a useful hydroboration reagent","Chem.Commun.","2011","47","","11339","","10.1039/c1cc14888e","","","0.71073","MoKα","","0.0637","0.0591","","","0.153","0.1568","","","","","","1.032","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106947","10.13","0.002","7.2521","0.0015","15.992","0.003","90","","105.63","0.03","90","","1131.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 B2 O3 -","- C12 H10 B2 O3 -","- C48 H40 B8 O12 -","4","1","","Animesh Das; Alexander Hubner; Mitra Weber; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","9-H-9-Borafluorene dimethyl sulfide adduct: a product of a unique ring-contraction reaction and a useful hydroboration reagent","Chem.Commun.","2011","47","","11339","","10.1039/c1cc14888e","","","0.71073","MoKα","","0.0684","0.0488","","","0.1106","0.1186","","","","","","0.953","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106948","11.229","0.003","12.21","0.002","15.985","0.004","90","","92.907","0.019","90","","2188.8","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 B2 Li2 O2 -","- C20 H34 B2 Li2 O2 -","- C80 H136 B8 Li8 O8 -","4","0.5","","Animesh Das; Alexander Hubner; Mitra Weber; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","9-H-9-Borafluorene dimethyl sulfide adduct: a product of a unique ring-contraction reaction and a useful hydroboration reagent","Chem.Commun.","2011","47","","11339","","10.1039/c1cc14888e","","","0.71073","MoKα","","0.1393","0.1046","","","0.2866","0.3036","","","","","","1.059","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106949","9.4074","0.0012","14.897","0.0014","7.1428","0.001","90","","99.524","0.011","90","","987.2","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B2 -","- C12 H12 B2 -","- C48 H48 B8 -","4","1","","Animesh Das; Alexander Hubner; Mitra Weber; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","9-H-9-Borafluorene dimethyl sulfide adduct: a product of a unique ring-contraction reaction and a useful hydroboration reagent","Chem.Commun.","2011","47","","11339","","10.1039/c1cc14888e","","","0.71073","MoKα","","0.0719","0.0494","","","0.118","0.128","","","","","","0.954","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106950","13.292","0.0002","9.068","0.0002","14.095","0.0003","90","","97.209","0.001","90","","1685.47","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Mn N2 O2 -","- C17 H23 Mn N2 O2 -","- C68 H92 Mn4 N8 O8 -","4","1","","Madeeha Batool; Thomas Martin; Abu Naser; Michael W.George; Stuart Macgregor; Mary Mahon; Michael K. Whittlesey","Comparison of the photochemistry of organometallic N-heterocyclic carbene and phosphine complexes of manganese","Chem.Commun.","2011","47","","11225","","10.1039/c1cc14467g","","","0.71073","MoKα","","0.0774","0.045","","","0.1174","0.1423","","","","","","1.079","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106951","10.7027","0.0002","17.7028","0.0003","19.306","0.0006","106.086","0.002","103.506","0.002","97.09","0.001","3347.44","0.15","143","","143","","","","","","","","","3","P -1","-P 1","2","TPEDMesB","dimesityl(4-(1,2,2-triphenylvinyl)phenyl)borane","","- C44 H41 B -","- C44 H41 B -","- C176 H164 B4 -","4","2","","Wang Zhang Yuan; Shuming Chen; Jacky W. Y. Lam; Chunmei Deng; Ping Lu; Herman H-Y. Sung; Ian D. Williams; Hoi Sing Kowk; Yongming Zhang; Ben Zhong Tang","Towards high efficiency solid emitters with aggregation-induced emission and electron-transport characteristics","Chem.Commun.","2011","47","","11216","","10.1039/c1cc14122h","","x-ray","0.7107","MoKα","","0.0924","0.0796","","","0.2109","0.2245","","","","","","1.086","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106952","7.2976","0.0005","14.8834","0.0011","23.5529","0.0017","90","","90","","90","","2558.2","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl O Ru -","- C28 H31 Cl O Ru -","- C112 H124 Cl4 O4 Ru4 -","4","1","","Ken Yamashita; Yuki Nagashima; Yoshihiko Yamamoto; Hisao Nishiyama","Ruthenium-catalyzed cyclization/transfer hydrogenation of 1,6-diynes: Unprecedented mode of alcohol activation via metallacyclopentatriene","Chem.Commun.","2011","47","","11552","","10.1039/c1cc13744a","","","0.71073","MoK_a","","0.066","0.0567","","","0.1305","0.1339","","","","","","1.128","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106953","8.3705","0.0006","12.5806","0.001","18.647","0.0013","70.858","0.005","88.773","0.005","75.729","0.005","1794","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H46 Cl2 Cu N6 O6 -","- C34 H46 Cl2 Cu N6 O6 -","- C68 H92 Cl4 Cu2 N12 O12 -","2","1","","Xiaoyue Hu; Jian Wang; Xiang Zhu; Dapeng Dong; Xiaolin Zhang; Shuo Wu; Chunying Duan","A copper(II) rhodamine complex with a tripodal ligand as a highly selective fluorescence imaging agent for nitric oxide","Chem.Commun.","2011","47","","11507","","10.1039/c1cc14032a","","","0.71073","MoKα","","0.0937","0.0544","","","0.1222","0.1361","","","","","","1.007","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106954","13.3457","0.0007","19.5826","0.0009","14.055","0.0008","90","","99.793","0.002","90","","3619.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","AI5 cavitand","AI5 cavitand","","- C79 H93 Br2 N4 O12 -","- C79.5 H93.5 Br2 N4 O12 -","- C159 H187 Br4 N8 O24 -","2","0.5","","Christer B. Aakeroy; Arbin Rajbanshi; John Desper","Hydrogen-bond driven assembly of a molecular capsule facilitated by supramolecular chelation","Chem.Commun.","2011","47","","11411","","10.1039/c1cc14124d","","","0.71073","MoKα","","0.1321","0.0823","","","0.2499","0.2791","","","","","","1.251","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106955","14.7722","0.0007","15.937","0.0008","22.1716","0.0011","109.733","0.003","96.094","0.003","93.89","0.003","4855.4","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","AR-AI-11 pentyl (6-acetylamino-3-pyridyl)ethynyl cavitand","AR-AI-11 pentyl (6-acetylamino-3-pyridyl)ethynyl cavitand","","- C100.6 H113.3 N8 O16.8 -","- C100.6 H113.3 N8 O16.8 -","- C201.2 H226.6 N16 O33.6 -","2","1","","Christer B. Aakeroy; Arbin Rajbanshi; John Desper","Hydrogen-bond driven assembly of a molecular capsule facilitated by supramolecular chelation","Chem.Commun.","2011","47","","11411","","10.1039/c1cc14124d","","","0.71073","MoKα","","0.1804","0.1055","","","0.2969","0.3241","","","","","","1.806","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106956","14.341","0.006","21.027","0.009","11.963","0.005","90","","104.738","0.007","90","","3489","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 O2 Sc -","- C17 H31 O2 Sc -","- C136 H248 O16 Sc8 -","8","2","","Sabine Standfuss; Elise Abinet; Thomas P. Spaniol; Jun Okuda","Allyl complexes of scandium: synthesis and structure of neutral, cationic and anionic derivatives","Chem.Commun.","2011","47","","11441","","10.1039/c1cc14180e","","","0.71073","MoKα","","0.1171","0.0753","","","0.1986","0.2238","","","","","","0.974","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106957","31.6886","0.0018","9.9269","0.0006","23.1586","0.0013","90","","93.994","0.001","90","","7267.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 B O3 Sc -","- C42 H54 B O3 Sc -","- C336 H432 B8 O24 Sc8 -","8","1","","Sabine Standfuss; Elise Abinet; Thomas P. Spaniol; Jun Okuda","Allyl complexes of scandium: synthesis and structure of neutral, cationic and anionic derivatives","Chem.Commun.","2011","47","","11441","","10.1039/c1cc14180e","","","0.71073","MoKα","","0.0684","0.0475","","","0.1055","0.1134","","","","","","0.947","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106958","13.0491","0.0012","11.3146","0.001","20.487","0.0018","90","","97.444","0.004","90","","2999.3","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H104 Mg O8 Sc2 -","- C56 H104 Mg O8 Sc2 -","- C112 H208 Mg2 O16 Sc4 -","2","0.5","","Sabine Standfuss; Elise Abinet; Thomas P. Spaniol; Jun Okuda","Allyl complexes of scandium: synthesis and structure of neutral, cationic and anionic derivatives","Chem.Commun.","2011","47","","11441","","10.1039/c1cc14180e","","","0.71073","MoKα","","0.2375","0.067","","","0.1349","0.1759","","","","","","0.841","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106959","6.1172","0.0004","10.3417","0.0007","16.2127","0.001","102.017","0.004","92.797","0.003","103.296","0.004","971.24","0.11","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hideko Koshima; Kyoko Takechi; Hidetaka Uchimoto; Motoo Shiro; Daisuke Hashizume","Photomechanical bending of salicylideneaniline crystals","Chem.Commun.","2011","47","","11423","","10.1039/c1cc14288g","","","1.54187","CuKα","","0.1951","0.1245","","","0.295","0.3644","","","","","","0.974","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106960","28.079","0.001","7.792","0.001","31.159","0.001","90","","104.108","0.001","90","","6611.7","0.9","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H48 Co F6 O P3 Si2 -","- C25 H48 Co F6 O P3 Si2 -","- C200 H384 Co8 F48 O8 P24 Si16 -","8","1","","Yves Cabon; Duncan Carmichael; Louis Ricard","Redox-fixable manipulation of planar chirality in late transition metal sandwich compounds; a 1,1'-diphosphacobaltocene/1,1'-diphosphacobaltocenium salt couple","Chem.Commun.","2011","47","","11486","","10.1039/c1cc15195a","","","0.71069","MoKα","","0.0709","0.0466","","","0.1217","0.136","","","","","","1.02","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106961","7.89","0.001","13.894","0.001","12.481","0.001","90","","95.674","0.001","90","","1361.5","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Co P2 Si2 -","- C24 H44 Co P2 Si2 -","- C48 H88 Co2 P4 Si4 -","2","0.5","","Yves Cabon; Duncan Carmichael; Louis Ricard","Redox-fixable manipulation of planar chirality in late transition metal sandwich compounds; a 1,1'-diphosphacobaltocene/1,1'-diphosphacobaltocenium salt couple","Chem.Commun.","2011","47","","11486","","10.1039/c1cc15195a","","","0.71069","MoKα","","0.0437","0.0341","","","0.0885","0.094","","","","","","1.051","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106962","19.6854","0.0004","10.8731","0.0003","42.8266","0.0013","90","","96.989","0.002","90","","9098.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H39 Cl2 N3 P2 Pd2 -","- C48 H39 Cl2 N3 P2 Pd2 -","- C384 H312 Cl16 N24 P16 Pd16 -","8","1","","Dominik Cincic; Marina Juribasic; Darko Babic; Kresimir Molcanov; Primoz Sket; Janez Plavec; Manda Curic","New insight into solid-state molecular dynamics: mechanochemical synthesis of azobenzene/triphenylphosphine palladacycles","Chem.Commun.","2011","47","","11543","","10.1039/c1cc15377c","","x-ray","1.54179","CuKα","","","0.1036","","","","0.2611","","","","","","1.119","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106963","11.6271","0.0001","9.0244","0.0001","43.0468","0.0004","90","","95.983","0.001","90","","4492.19","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Cl2 N2 O P2 Pd2 -","- C50 H44 Cl2 N2 O P2 Pd2 -","- C200 H176 Cl8 N8 O4 P8 Pd8 -","4","1","","Dominik Cincic; Marina Juribasic; Darko Babic; Kresimir Molcanov; Primoz Sket; Janez Plavec; Manda Curic","New insight into solid-state molecular dynamics: mechanochemical synthesis of azobenzene/triphenylphosphine palladacycles","Chem.Commun.","2011","47","","11543","","10.1039/c1cc15377c","","x-ray","1.5418","CuKα","","","0.064","","","","0.1804","","","","","","1.201","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106964","10.0943","0.0003","20.0688","0.0007","25.3224","0.0006","110.178","0.003","90.883","0.002","90.024","0.003","4814.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H46 Cl2 N4 O3 P2 Pd2 -","- C51 H46 Cl2 N4 O3 P2 Pd2 -","- C204 H184 Cl8 N16 O12 P8 Pd8 -","4","2","","Dominik Cincic; Marina Juribasic; Darko Babic; Kresimir Molcanov; Primoz Sket; Janez Plavec; Manda Curic","New insight into solid-state molecular dynamics: mechanochemical synthesis of azobenzene/triphenylphosphine palladacycles","Chem.Commun.","2011","47","","11543","","10.1039/c1cc15377c","","x-ray","1.54179","CuKα","","","0.0905","","","","0.2358","","","","","","1.203","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106965","13.367","0.0001","18.4303","0.0002","18.4227","0.0002","90","","109.32","0.001","90","","4282.99","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H40 Cl2 N2 P2 Pd2 -","- C49 H40 Cl2 N2 P2 Pd2 -","- C196 H160 Cl8 N8 P8 Pd8 -","4","1","","Dominik Cincic; Marina Juribasic; Darko Babic; Kresimir Molcanov; Primoz Sket; Janez Plavec; Manda Curic","New insight into solid-state molecular dynamics: mechanochemical synthesis of azobenzene/triphenylphosphine palladacycles","Chem.Commun.","2011","47","","11543","","10.1039/c1cc15377c","","x-ray","1.54179","CuKα","","","0.0543","","","","0.1369","","","","","","1.026","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106966","17.672","0.006","19.85","0.007","20.915","0.007","72.383","0.004","70.947","0.005","69.724","0.005","6355","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H57 N3 O30 Zn8 -","- C81 H57 N3 O30 Zn8 -","- C162 H114 N6 O60 Zn16 -","2","1","","Madhab C. Das; Hui Xu; Zhiyu Wang; Gadipelli Srinivas; Wei Zhou; Yan-Feng Yue; Vladimir N. Nesterov; Guodong Qian; Banglin Chen","A Zn4O-containing doubly interpenetrated porous metal-organic framework for photocatalytic decomposition of methyl orange","Chem.Commun.","2011","47","","11715","","10.1039/c1cc12802g","","","0.71073","MoKα","","0.1351","0.0981","","","0.2371","0.2521","","","","","","1.096","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106967","6.3213","0.0004","6.3213","0.0004","16.461","0.002","90","","90","","90","","657.76","0.1","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- B H5 O18 P4 Ti2 -","- B O18 P4 Ti2 -","- B2 O36 P8 Ti4 -","2","0.0625","","Yan Zhou; Stefan Hoffmann; Prashanth W. Menezes; Wilder Carrillo-Cabrera; Ya-Xi Huang; Leonid Vasylechko; Marcus Schmidt; Yurii Prots; Jin-Feng Deng; Jin-Xiao Mi; Rudiger Kniep","Nanoporous titanium borophosphates with rigid gainesite-type framework structure","Chem.Commun.","2011","47","","11695","","10.1039/c1cc14078g","","","0.71073","MoKα","","0.0304","0.028","","","0.0857","0.0869","","","","","","1.289","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106968","6.315","0.0005","6.315","0.0005","16.375","0.003","90","","90","","90","","653.02","0.14","295.15","","295","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","","- B H2 K O17 P4 Ti2 -","- B K O17 P4 Ti2 -","- B2 K2 O34 P8 Ti4 -","2","0.0625","","Yan Zhou; Stefan Hoffmann; Prashanth W. Menezes; Wilder Carrillo-Cabrera; Ya-Xi Huang; Leonid Vasylechko; Marcus Schmidt; Yurii Prots; Jin-Feng Deng; Jin-Xiao Mi; Rudiger Kniep","Nanoporous titanium borophosphates with rigid gainesite-type framework structure","Chem.Commun.","2011","47","","11695","","10.1039/c1cc14078g","","","0.71073","MoKα","","0.0223","0.0214","","","0.0676","0.0681","","","","","","1.381","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106969","27.0027","0.0016","3.8705","0.0002","11.6121","0.0007","90","","90","","90","","1213.63","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","","Guo-Ping Yong.; Wen-Long She; Yi-Man Zhang; Ying-Zhou Li","From zwitterionic radical to neutral radical with unusual magnetic properties: First K-promoted air oxidative ring opening reaction of aromatic N-heterocycle","Chem.Commun.","2011","47","","11766","","10.1039/c1cc14420k","","","1.54184","CuKα","","0.0478","0.0448","","","0.1049","0.1061","","","","","","1.024","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106970","11.2747","0.001","17.2947","0.0014","16.2187","0.0014","90","","103.224","0.002","90","","3078.7","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Au4 O10 P4 -","- C64 H60 Au4 O10 P4 -","- C128 H120 Au8 O20 P8 -","2","0.5","","Mohammad Mir; Jun Ong; Goutam Kole; Geok Tan; Michael McGlinchey; Yuyang Wu; Jagadese Vittal","Photoreactive gold(I) macrocycles with diphosphine and trans,trans-muconate ligands","Chem.Commun.","2011","47","","11633","","10.1039/c1cc14442a","","","0.71073","MoKα","","0.0623","0.0432","","","0.0885","0.095","","","","","","0.987","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106971","13.1309","0.0008","14.7191","0.0008","18.2436","0.0011","80.685","0.001","81.181","0.001","87.496","0.001","3437.8","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H64 Au4 Cl4 O9 P4 -","- C67 H64 Au4 Cl4 O9 P4 -","- C134 H128 Au8 Cl8 O18 P8 -","2","1","","Mohammad Mir; Jun Ong; Goutam Kole; Geok Tan; Michael McGlinchey; Yuyang Wu; Jagadese Vittal","Photoreactive gold(I) macrocycles with diphosphine and trans,trans-muconate ligands","Chem.Commun.","2011","47","","11633","","10.1039/c1cc14442a","","","0.71073","MoKα","","0.0702","0.0547","","","0.1412","0.1508","","","","","","0.978","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106972","16.8541","0.0008","21.4065","0.001","20.3977","0.001","90","","95.761","0.001","90","","7322.1","0.6","100","","100","","","","","","","","Synthesized by the authors. See text","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 Fe N O3 P2 S2 -","- C39 H41 Fe N O3 P2 S2 -","- C312 H328 Fe8 N8 O24 P16 S16 -","8","2","","Maryline Beyler; Salah Ezzaher; Michael Karnahl; Marie-Pierre Santoni; Reiner Lomoth; Sascha Ott","Pentacoordinate iron complexes as functional models of the distal iron in [FeFe] hydrogenases","Chem.Commun.","2011","47","42","11662","11664","10.1039/c1cc14449a","","","0.71073","MoKα","","0.104","0.0384","","","0.0579","0.0704","","","","","","0.796","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106973","11.5746","0.0002","10.6207","0.0002","16.5475","0.0003","90","","93.599","0.001","90","","2030.18","0.06","100","2","100","2","","","","","","","Lim Li Gim","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 B N5 O3 -","- C22 H22 B N5 O3 -","- C88 H88 B4 N20 O12 -","4","1","","Philip J. Bailey; Nicola L. Bell; Lim Li Gim; Tai Yucheng; Nicholas Funnell; Fraser White; Simon Parsons","'Twisted' scorpionates: synthesis of a tris(2-pyridonyl)borate (Thp) ligand; lessons in the requirements for successful B(L2D)3 type ligands","Chem.Commun.","2011","47","","11659","","10.1039/c1cc14473a","","","0.71073","MoKα","","0.053","0.0391","","","0.0934","0.1004","","","","","","1.067","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106974","8.5238","0.0002","16.9403","0.0005","21.7245","0.0006","90","","91.247","0.003","90","","3136.18","0.15","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 B Cl7 Cu N5 O3 -","- C24 H24 B Cl7 Cu N5 O3 -","- C96 H96 B4 Cl28 Cu4 N20 O12 -","4","1","","Philip J. Bailey; Nicola L. Bell; Lim Li Gim; Tai Yucheng; Nicholas Funnell; Fraser White; Simon Parsons","'Twisted' scorpionates: synthesis of a tris(2-pyridonyl)borate (Thp) ligand; lessons in the requirements for successful B(L2D)3 type ligands","Chem.Commun.","2011","47","","11659","","10.1039/c1cc14473a","","","1.54184","CuKα","","0.0604","0.057","","0.1444","0.1417","0.1444","","","","","","1.0016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106975","11.383","0.003","12.212","0.003","19.173","0.005","84.385","0.006","88.389","0.011","70.418","0.006","2499","1.1","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C65 H70 -","- C65 H70 -","- C130 H140 -","2","1","","Cyril Poriel; Remi Metivier; Joelle Rault - Berthelot; Damien Thirion; Frederic Barriere; Olivier Jeannin","A robust pure hydrocarbon derivative based on the (2,1-b)-indenofluorenyl core with high triplet energy level","Chem.Commun.","2011","47","","11703","","10.1039/c1cc14534g","","","0.71073","MoKα","","0.203","0.1044","","","0.2837","0.3389","","","","","","1.056","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106976","12.0342","0.0009","16.482","0.003","12.6028","0.0016","90","","111.669","0.013","90","","2323.1","0.6","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C48 H54 Li6 O18 -","- C48 H54 Li6 O18 -","- C96 H108 Li12 O36 -","2","0.5","","Mayte Munoz; Carmen Urbaneja; Manuel Temprado; Marta E. G. Mosquera; Tomas Cuenca","Lewis acid fragmentation of a lithium aryloxide cage: generation of new heterometallic aluminium-lithium species","Chem.Commun.","2011","47","42","11757","11759","10.1039/c1cc14577k","","","0.71073","MoKα","","0.1007","0.0555","","","0.1258","0.1457","","","","","","1.026","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106977","9.8598","0.0013","22.364","0.003","21.162","0.005","90","","99.163","0.014","90","","4606.8","1.4","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 Al3 Li3 O9 -","- C33 H54 Al3 Li3 O9 -","- C132 H216 Al12 Li12 O36 -","4","1","","Mayte Munoz; Carmen Urbaneja; Manuel Temprado; Marta E. G. Mosquera; Tomas Cuenca","Lewis acid fragmentation of a lithium aryloxide cage: generation of new heterometallic aluminium-lithium species","Chem.Commun.","2011","47","42","11757","11759","10.1039/c1cc14577k","","","0.71073","MoKα","","0.1024","0.067","","","0.1644","0.1832","","","","","","1.05","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106978","13.6968","0.0012","13.9464","0.0018","24.2111","0.0019","90","","90","","90","","4624.8","0.8","200","2","200","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C43 H56 Al2 Li2 O12 -","- C43 H48 Al2 Li2 O12 -","- C172 H192 Al8 Li8 O48 -","4","0.5","","Mayte Munoz; Carmen Urbaneja; Manuel Temprado; Marta E. G. Mosquera; Tomas Cuenca","Lewis acid fragmentation of a lithium aryloxide cage: generation of new heterometallic aluminium-lithium species","Chem.Commun.","2011","47","42","11757","11759","10.1039/c1cc14577k","","","0.71073","MoKα","","0.0957","0.0559","","","0.1262","0.1462","","","","","","1.018","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106979","18.678","0.004","7.4805","0.0015","26.052","0.005","90","","92.76","0.03","90","","3635.8","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H17 F15 Ge N4 O -","- C41 H17 F15 Ge N4 O -","- C164 H68 F60 Ge4 N16 O4 -","4","1","","Huayi Fang; Zhen Ling; Penelope J. Brothers; Xuefeng Fu","Reactivity studies of a corrole germanium hydride complex with aldehydes, olefins and alkyl halides","Chem.Commun.","2011","47","","11677","","10.1039/c1cc15076f","","","0.71073","MoKα","","0.0682","0.0602","","","0.1192","0.1233","","","","","","1.159","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106980","31.403","0.018","15.539","0.009","7.241","0.004","90","","90","","90","","3533","3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H13 F15 Ge N4 O -","- C39 H13 F15 Ge N4 O -","- C156 H52 F60 Ge4 N16 O4 -","4","1","","Huayi Fang; Zhen Ling; Penelope J. Brothers; Xuefeng Fu","Reactivity studies of a corrole germanium hydride complex with aldehydes, olefins and alkyl halides","Chem.Commun.","2011","47","","11677","","10.1039/c1cc15076f","","","0.71073","MoKα","","0.0893","0.0819","","","0.1987","0.204","","","","","","1.129","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106981","8.5832","0.0015","19.679","0.004","25.475","0.005","105.64","0.005","96.46","0.007","100.77","0.007","4009.8","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H15 F15 Ge N4 O2 -","- C41 H15 F15 Ge N4 O2 -","- C164 H60 F60 Ge4 N16 O8 -","4","2","","Huayi Fang; Zhen Ling; Penelope J. Brothers; Xuefeng Fu","Reactivity studies of a corrole germanium hydride complex with aldehydes, olefins and alkyl halides","Chem.Commun.","2011","47","","11677","","10.1039/c1cc15076f","","","0.71073","MoKα","","0.1038","0.0948","","","0.2585","0.2669","","","","","","1.107","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106982","10.3406","0.0005","10.3645","0.0005","17.2962","0.0008","88.534","0.001","87.146","0.001","77.752","0.001","1809.07","0.15","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H63 N7 Si3 Zr -","- C26 H63 N7 Si3 Zr -","- C52 H126 N14 Si6 Zr2 -","2","1","","Annalese Maddox; Karla A. Erickson; Joseph Tanski; Rory Waterman","C-N Bond formation via ligand-induced nucleophilicity at a coordinated triamidoamine ligand","Chem.Commun.","2011","47","","11769","","10.1039/c1cc15179g","","","0.71073","MoKα","","0.0405","0.0329","","","0.0804","0.0844","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106983","9.517","0.003","10.057","0.004","19.313","0.006","76.739","0.005","80.8","0.003","62.44","0.003","1591.9","0.9","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H53 Cl N6 Si3 Zr -","- C22 H53 Cl N6 Si3 Zr -","- C44 H106 Cl2 N12 Si6 Zr2 -","2","1","","Annalese Maddox; Karla A. Erickson; Joseph Tanski; Rory Waterman","C-N Bond formation via ligand-induced nucleophilicity at a coordinated triamidoamine ligand","Chem.Commun.","2011","47","","11769","","10.1039/c1cc15179g","","","0.71073","MoKα","","0.0322","0.026","","","0.0616","0.0643","","","","","","1.048","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106984","26.4908","0.00067","26.4908","0.00067","26.4908","0.00067","90","","90","","90","","18590.2","0.8","298","","298","","","","","","","","synthesis","5","F m -3 m","-F 4 2 3","225","","","","- C84 H102 N32 Ni8 O21 -","- C60 H30 N24 Ni8 O40.88 -","- C240 H120 N96 Ni32 O163.52 -","4","0.0208333","","E.Quartapelle Procopio; Sara Rojas; Natalia M. Padial; Simona Galli; Norberto Masciocchi; Fatima Linares; Delia Miguel; J. Enrique Oltra; Jorge A. R. Navarro; Elisa Barea","A Robust MOF for the controlled delivery of the non conventional half-sandwich ruthenium(II) metallodrug RAPTA-C","Chem.Commun.","2011","47","42","11751","11753","10.1039/c1cc14594k","powder diffraction","x-ray","1.54","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106985","4.841","0.004","11.278","0.007","12.907","0.009","71.88","0.009","86.802","0.01","86.926","0.01","668.2","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(2,2'-bithiophene-5,5'-diyl)bis(5-butyl-5H-thieno[2,3-c]pyrrole-4,6-dione","","- C28 H24 N2 O4 S4 -","- C28 H24 N2 O4 S4 -","- C28 H24 N2 O4 S4 -","1","0.5","","Manuela Melucci; Massimo Zambianchi; Laura Favaretto; Massimo Gazzano; Alberto Zanelli; Magda Monari; Raffaella Capelli; Stefano Troisi; Stefano Toffanin; Michele Muccini","Thienopyrrolyl dione end-capped oligothiophene ambipolar semiconductors for thin film- and light emitting transistors","Chem.Commun.","2011","47","","11840","","10.1039/c1cc14179a","","","0.71073","MoKα","","0.1569","0.0956","","","0.2337","0.2894","","","","","","0.837","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106986","17.6342","0.0006","17.6342","0.0006","33.4999","0.0011","90","","90","","90","","10417.3","0.6","183","2","183","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C15.71 H21.51 Cu3 N5.9 O13 -","- C15.706 H21.51 Cu3 N5.902 O13 -","- C251.296 H344.16 Cu48 N94.432 O208 -","16","0.5","","Samir Barman; Hiroyasu Furukawa; Olivier Blacque; Koushik Venkatesan; Omar M. Yaghi; Guo-Xin Jin; Heinz Berke","Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes","Chem.Commun.","2011","47","","11882","","10.1039/c1cc14387e","","","0.71073","MoKα","","0.1357","0.0399","","","0.08","0.093","","","","","","0.738","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106987","17.1637","0.0005","17.1637","0.0005","34.0665","0.0006","90","","90","","90","","10035.7","0.4","183","2","183","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C18 H22 Cu3 N4 O12 -","- C18 H22 Cu3 N4 O12 -","- C288 H352 Cu48 N64 O192 -","16","0.5","","Samir Barman; Hiroyasu Furukawa; Olivier Blacque; Koushik Venkatesan; Omar M. Yaghi; Guo-Xin Jin; Heinz Berke","Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes","Chem.Commun.","2011","47","","11882","","10.1039/c1cc14387e","","","0.71073","MoKα","","0.1319","0.0731","","","0.2122","0.2363","","","","","","0.921","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106988","15.3345","0.0001","14.5465","0.0001","26.2229","0.0003","90","","90","","90","","5849.37","0.09","183","2","183","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C73 H85 Cu12 N27 O45 -","- C73 H85 Cu12 N27 O45 -","- C146 H170 Cu24 N54 O90 -","2","0.25","","Samir Barman; Hiroyasu Furukawa; Olivier Blacque; Koushik Venkatesan; Omar M. Yaghi; Guo-Xin Jin; Heinz Berke","Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes","Chem.Commun.","2011","47","","11882","","10.1039/c1cc14387e","","","0.71073","MoKα","","0.0773","0.0535","","","0.1738","0.182","","","","","","1.037","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106989","23.476","0.005","9.5054","0.0019","27.629","0.006","90","","90","","90","","6165","2","180","2","180","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C48 H37 Ca3 N2 O15 P2 -","- C48 H37 Ca3 N2 O15 P2 -","- C192 H148 Ca12 N8 O60 P8 -","4","0.5","","Ana J. Nunez; Lindse N. Shear; Naween Dahal; Ilich A. Ibarra; Ji Woong Yoon; Young Kyu Hwang; Jong-San Chang; Simon M. Humphrey","A coordination polymer of (Ph3P)AuCl prepared by post-synthetic modification and its application in 1-hexene/n-hexane separation","Chem.Commun.","2011","47","","11855","","10.1039/c1cc14682c","","","0.71073","MoKα","","0.1178","0.081","","","0.2172","0.236","","","","","","1.059","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106990","8.4532","0.0005","12.1566","0.0008","18.6362","0.0012","75.871","0.004","78.335","0.004","69.729","0.004","1727.5","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","DIPPnacnacAl(BH4)2","","","- C35 H55 Al B2 N2 -","- C35 H55 Al B2 N2 -","- C70 H110 Al2 B4 N4 -","2","1","","Sjoerd Harder; Jan Spielmann","Unprecedented reactivity of an aluminium hydride complex with ArNH2BH3: nucleophilic substitution versus deprotonation","Chem.Commun.","2011","47","","11945","","10.1039/c1cc14689k","","","0.71073","MoKα","","0.0916","0.0689","","","0.2108","0.2178","","","","","","1.138","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106991","21.518","0.004","11.737","0.002","19.301","0.004","90","","94.14","0.03","90","","4861.9","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 Co2 N6 Na O16 -","- C50 H44 Co2 N6 Na O16 -","- C200 H176 Co8 N24 Na4 O64 -","4","0.5","","Wen-Xian Chen; Hao-Ran Xu; Gui-Lin Zhuang; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Temperature-dependent conductivity of Emim+ (Emim+ = 1-ethyl-3-methyl imidazolium) confined in channels of a metal-organic framework","Chem.Commun.","2011","47","","11933","","10.1039/c1cc14702a","","","0.71073","MoKα","","0.0601","0.0533","","","0.15","0.1595","","","","","","1.014","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106992","21.5119","0.0005","11.8062","0.0003","19.4114","0.0005","90","","94.591","0.002","90","","4914.2","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 Co2 N6 Na O16 -","- C50 H44 Co2 N6 Na O16 -","- C200 H176 Co8 N24 Na4 O64 -","4","0.5","","Wen-Xian Chen; Hao-Ran Xu; Gui-Lin Zhuang; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Temperature-dependent conductivity of Emim+ (Emim+ = 1-ethyl-3-methyl imidazolium) confined in channels of a metal-organic framework","Chem.Commun.","2011","47","","11933","","10.1039/c1cc14702a","","","0.71073","MoKα","","0.0611","0.0504","","","0.1063","0.1113","","","","","","1.104","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106993","15.2927","0.0011","15.2927","0.0011","12.301","0.0018","90","","90","","90","","2876.8","0.5","296","2","296","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C8 H5 Mg O5 -","- C8 H3 Mg O5 -","- C64 H24 Mg8 O40 -","8","0.5","","Qipu Lin; Tao Wu; Shoutian Zheng; Xianhui Bu; Pingyun Feng","A Chiral Tetragonal Magnesium-Carboxylate Framework with Nanotubular Channels","Chem.Commun.","2011","47","","11852","","10.1039/c1cc14836b","","","0.71073","MoKα","","0.0896","0.0875","","","0.2672","0.279","","","","","","1.383","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106994","22.467","0.002","22.467","0.002","29.858","0.003","90","","90","","90","","15071","2","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C40 H50 N4 O23 Zn2 -","- C40 H44 N4 O23 Zn2 -","- C320 H352 N32 O184 Zn16 -","8","0.5","","Qipu Lin; Tao Wu; Shoutian Zheng; Xianhui Bu; Pingyun Feng","A Chiral Tetragonal Magnesium-Carboxylate Framework with Nanotubular Channels","Chem.Commun.","2011","47","","11852","","10.1039/c1cc14836b","","","0.71073","MoKα","","0.1384","0.0986","","","0.2534","0.2843","","","","","","1.063","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106995","16.7674","0.0008","17.0966","0.0014","10.1063","0.0006","90","","101.068","0.005","90","","2843.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H43 B5 S Ta2 -","- C24 H40 B5 S Ta2 -","- C96 H160 B20 S4 Ta8 -","4","0.5","","Shubhankar Kumar Bose; K. Geetharani; Sundargopal Ghosh","C-H Activation of Arenes and Heteroarenes by Tantalaborane Cluster","Chem.Commun.","2011","47","43","11996","11998","10.1039/c1cc15394c","","","0.71073","MoKα","","0.0614","0.0307","","","0.0713","0.0769","","","","","","0.858","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106996","8.5841","0.0004","10.1872","0.0006","17.2208","0.001","98.965","0.005","104.066","0.005","106.012","0.005","1363.4","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H43 B5 N Ta2 -","- C24 H33 B5 N Ta2 -","- C48 H66 B10 N2 Ta4 -","2","1","","Shubhankar Kumar Bose; K. Geetharani; Sundargopal Ghosh","C-H Activation of Arenes and Heteroarenes by Tantalaborane Cluster","Chem.Commun.","2011","47","43","11996","11998","10.1039/c1cc15394c","","","0.71073","MoKα","","0.087","0.079","","","0.2192","0.2284","","","","","","1.114","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106997","16.7619","0.0004","17.2045","0.0004","10.0036","0.0002","90","","100.874","0.001","90","","2833.04","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 B5 Ta2 -","- C26 H45 B5 Ta2 -","- C104 H180 B20 Ta8 -","4","0.5","","Shubhankar Kumar Bose; K. Geetharani; Sundargopal Ghosh","C-H Activation of Arenes and Heteroarenes by Tantalaborane Cluster","Chem.Commun.","2011","47","43","11996","11998","10.1039/c1cc15394c","","","0.71073","MoKα","","0.0441","0.0264","","","0.0565","0.063","","","","","","1.006","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106998","7.447","0.0015","9.424","0.0019","14.075","0.003","72.08","0.03","76.66","0.03","89.64","0.03","912.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C42 H36 N4 O4 S2 -","2","1","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0755","0.0605","","","0.1769","0.2001","","","","","","1.107","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7106999","7.476","0.0015","14.897","0.003","18.24","0.004","110.15","0.03","90.76","0.03","102.6","0.03","1852.4","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C88 H80 N12 O8 -","2","1","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0822","0.0618","","","0.189","0.2213","","","","","","0.742","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7107000","26.38","0.005","7.532","0.0015","19.03","0.004","90","","101.93","0.03","90","","3699.5","1.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N4 O4 -","- C46 H42 N4 O4 -","- C184 H168 N16 O16 -","4","0.5","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.1258","0.0878","","","0.221","0.2559","","","","","","1.169","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107001","7.509","0.006","8.755","0.006","24.7","0.02","91.768","0.012","96.793","0.014","93.035","0.013","1609","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H64 N6 O6 -","- C83 H64 N6 O6 -","- C83 H64 N6 O6 -","1","0.5","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.1175","0.0677","","","0.1767","0.2283","","","","","","1.079","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107002","7.827","0.006","18.987","0.014","11.956","0.006","90","","126.99","0.03","90","","1419.2","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O4 S2 -","- C32 H28 N2 O4 S2 -","- C64 H56 N4 O8 S4 -","2","0.5","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0633","0.0573","","","0.1713","0.1836","","","","","","1.049","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107003","8.829","0.0018","10.079","0.002","12.092","0.002","67.68","0.03","77.45","0.03","69.16","0.03","926.1","0.4","150","","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol:4,4-Bipyridyl","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","1","0.5","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","x-ray","0.71073","MoKα","","0.0961","0.0653","","","0.1777","0.2191","","","","","","1.096","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107004","7.6576","0.0009","19.71","0.002","11.6365","0.0012","90","","125.572","0.007","90","","1428.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C72 H64 N8 O8 -","2","0.5","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0522","0.042","","","0.0975","0.1023","","","","","","1.048","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107005","9.3265","0.0007","10.3739","0.0008","11.1923","0.0008","68.503","0.005","86.581","0.006","69.849","0.005","943.12","0.13","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C47 H41 N5 O4 -","- C47 H41 N5 O4 -","- C47 H41 N5 O4 -","1","1","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0489","0.0402","","","0.1038","0.1119","","","","","","1.052","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107006","9.2102","0.0009","10.4824","0.0011","11.2645","0.0011","68.34","0.005","88.208","0.006","70.827","0.005","949.65","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N4 O4 -","- C48 H42 N4 O4 -","- C48 H42 N4 O4 -","1","0.5","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0523","0.0427","","","0.1121","0.1188","","","","","","1.074","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107007","9.4283","0.001","10.1821","0.001","11.1549","0.0011","69.876","0.005","86.613","0.006","69.427","0.005","939.04","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 N6 O4 -","- C46 H40 N6 O4 -","- C46 H40 N6 O4 -","1","0.5","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0687","0.051","","","0.12","0.1291","","","","","","1.038","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107008","9.346","0.006","23.25","0.015","33.59","0.02","90","","90","","90","","7299","8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C352 H320 N48 O32 -","8","1","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.1216","0.0996","","","0.2561","0.2708","","","","","","1.186","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107009","9.3357","0.0012","12.305","0.0014","17.91","0.002","90","","116.558","0.007","90","","1840.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N2 O2 S -","- C21 H19 N2 O2 S -","- C84 H76 N8 O8 S4 -","4","1","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0644","0.0579","","","0.1605","0.1682","","","","","","1.067","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107010","7.737","0.004","19.791","0.01","9.508","0.005","90","","95.17","0.007","90","","1450","1.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C72 H68 N4 O8 -","2","1","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.0616","0.057","","","0.1537","0.162","","","","","","1.054","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107011","4.8977","0.0002","9.8763","0.0003","10.9901","0.0004","90","","93.229","0.002","90","","530.76","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","","Amit Banerjee; Ponminor Senthil Kumar; Sundarababu Baskaran","A Lewis acid initiated intramolecular cyclization of benzylidene acetal with an azide functional group: novel synthesis of oxazolines and oxazines","Chem.Commun.","2011","47","","12218","","10.1039/c1cc14722f","","","0.71073","MoKα","","0.053","0.034","","","0.1623","0.1102","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7107012","41.414","0.006","41.414","0.006","17.637","0.003","90","","90","","120","","26197","7","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C54 H30 N O15 Zn4 -","- C54 H30 N O15 Zn4 -","- C324 H180 N6 O90 Zn24 -","6","1","","Mohan Padmanaban; Philipp Muller; Christian Lieder; Kristina Gedrich; Ronny Grunker; Volodymyr Bon; Irena Senkovska; Sandra Baumgartner; Sabine Opelt; Silvia Paasch; Eike Brunner; Frank Glorius; Elias Klemm; Stefan Kaskel","Application of a chiral metal-organic framework in enantioselective separation","Chem.Commun.","2011","47","","12089","","10.1039/c1cc14893a","","","0.88561","synchrotron","","0.0533","0.0398","","","0.1066","0.1115","","","","","","0.942","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107013","41.459","0.006","41.459","0.006","17.561","0.004","90","","90","","120","","26141","8","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C50 H32 N O15 Zn4 -","- C50 H32 N O15 Zn4 -","- C300 H192 N6 O90 Zn24 -","6","1","","Mohan Padmanaban; Philipp Muller; Christian Lieder; Kristina Gedrich; Ronny Grunker; Volodymyr Bon; Irena Senkovska; Sandra Baumgartner; Sabine Opelt; Silvia Paasch; Eike Brunner; Frank Glorius; Elias Klemm; Stefan Kaskel","Application of a chiral metal-organic framework in enantioselective separation","Chem.Commun.","2011","47","","12089","","10.1039/c1cc14893a","","","0.8856","synchrotron","","0.0532","0.0427","","","0.1142","0.1181","","","","","","1.042","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107014","15.568","0.0007","11.9747","0.0005","35.0893","0.0018","90","","90","","90","","6541.4","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H40 N7 O3 S -","- C31 H32 N7 O2 S -","- C248 H256 N56 O16 S8 -","8","1","","Nichole P. H. Tan; Michelle K. Taylor; Steven E. Bottle; Christine E. Wright; James Ziogas; Jonathan M. White; Carl H. Schiesser; Nitya V. Jani","Novel Paramagnetic AT1 Receptor Antagonists","Chem.Commun.","2011","47","","12083","","10.1039/c1cc14920b","","","1.5418","CuKα","","0.1058","0.0475","","","0.09","0.0998","","","","","","0.712","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107015","27.574","0.003","13.8942","0.0017","44.874","0.006","90","","90","","90","","17192","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H38 I6 N12 O0 Zn3 -","- C56 H38 I6 N12 Zn3 -","- C448 H304 I48 N96 Zn24 -","8","1","","Yasuhide Inokuma; Satoshi Nishiguchi; Koki Ikemoto; Makoto Fujita","Shedding light on hidden reaction pathways in radical polymerization by a porous coordination network","Chem.Commun.","2011","47","","12113","","10.1039/c1cc15053g","","","0.71073","MoKα","","0.0939","0.0804","","","0.1978","0.2084","","","","","","0.616","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7107016","13.627","0.003","19.352","0.004","20.122","0.004","90","","100.097","0.004","90","","5224.2","1.9","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 Cr2 N4 -","- C56 H78 Cr2 N4 -","- C224 H312 Cr8 N16 -","4","1","","Jingmei Shen; Glenn P. A. Yap; Jan-Philipp Werner; Klaus H.Theopold","Reactions of a quintuply bonded chromium dimer with alkynes","Chem.Commun.","2011","47","","12191","","10.1039/c1cc15218a","","","0.71073","MoKα","","0.125","0.0651","","","0.1368","0.1659","","","","","","1.004","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107017","13.145","0.003","23.048","0.006","18.413","0.005","90","","105.677","0.004","90","","5371","2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Cr2 N4 -","- C58 H82 Cr2 N4 -","- C232 H328 Cr8 N16 -","4","1","","Jingmei Shen; Glenn P. A. Yap; Jan-Philipp Werner; Klaus H.Theopold","Reactions of a quintuply bonded chromium dimer with alkynes","Chem.Commun.","2011","47","","12191","","10.1039/c1cc15218a","","","0.71073","MoKα","","0.1023","0.0641","","","0.1576","0.1838","","","","","","1.038","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107018","18.701","0.003","13.666","0.002","23.54","0.004","90","","101.455","0.003","90","","5896.2","1.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H92 Cr2 N4 O -","- C62 H92 Cr2 N4 O -","- C248 H368 Cr8 N16 O4 -","4","1","","Jingmei Shen; Glenn P. A. Yap; Jan-Philipp Werner; Klaus H.Theopold","Reactions of a quintuply bonded chromium dimer with alkynes","Chem.Commun.","2011","47","","12191","","10.1039/c1cc15218a","","","0.71073","MoKα","","0.1473","0.0903","","","0.2374","0.2696","","","","","","1.04","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107019","18.399","0.004","13.333","0.003","27.223","0.006","90","","106.668","0.004","90","","6398","2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H90 Cr2 N4 -","- C66 H82 Cr2 N4 -","- C264 H328 Cr8 N16 -","4","1","","Jingmei Shen; Glenn P. A. Yap; Jan-Philipp Werner; Klaus H.Theopold","Reactions of a quintuply bonded chromium dimer with alkynes","Chem.Commun.","2011","47","","12191","","10.1039/c1cc15218a","","","0.71073","MoKα","","0.1147","0.0696","","","0.1532","0.1737","","","","","","1.018","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107020","28.416","0.005","23.911","0.004","21.946","0.004","90","","104.553","0.004","90","","14433","4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73.5 H92 Cr2 F6 N4 -","- C56 H72 Cr2 F6 N4 -","- C448 H576 Cr16 F48 N32 -","8","1","","Jingmei Shen; Glenn P. A. Yap; Jan-Philipp Werner; Klaus H.Theopold","Reactions of a quintuply bonded chromium dimer with alkynes","Chem.Commun.","2011","47","","12191","","10.1039/c1cc15218a","","","0.71073","MoKα","","0.101","0.0594","","","0.1256","0.1377","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107021","8.734","0.001","12.631","0.001","14.616","0.001","90","","102.472","0.001","90","","1574.4","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 B2 O4 Tm -","- C8 H28 B2 O4 Tm -","- C32 H112 B8 O16 Tm4 -","4","1","","Aurelien Momin; Fanny Bonnet; Marc Visseaux; Laurent Maron; Josef Takats; Michael J. Ferguson; Xavier-Frederic Le Goff; Francois Nief","Synthesis and structure of divalent thulium borohydrides, and their application in 'epsilon'-caprolactone polymerisation","Chem.Commun.","2011","47","44","12203","12205","10.1039/c1cc15294g","","","0.71069","MoKα","","0.032","0.0276","","","0.0599","0.0628","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107022","12.2792","0.0008","15.4471","0.001","17.2852","0.0012","90","","90","","90","","3278.6","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 B2 N6 O Tm -","- C28 H52 B2 N6 O Tm -","- C112 H208 B8 N24 O4 Tm4 -","4","1","","Aurelien Momin; Fanny Bonnet; Marc Visseaux; Laurent Maron; Josef Takats; Michael J. Ferguson; Xavier-Frederic Le Goff; Francois Nief","Synthesis and structure of divalent thulium borohydrides, and their application in 'epsilon'-caprolactone polymerisation","Chem.Commun.","2011","47","44","12203","12205","10.1039/c1cc15294g","","","0.71073","MoKα","","0.0239","0.0224","","","0.056","0.0567","","","","","","1.038","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107023","11.439","0.002","9.2437","0.0018","19.437","0.004","90","","106.65","0.03","90","","1969.1","0.7","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Dilithium (tetrakis(3,5- bis(trifluoromethyl)pyrazolato))rhodium(ii) di-tetrahydrofuran disolvate","","","- C28 H20 F24 Li2 N8 O2 Rh -","- C28 H20 F24 Li2 N8 O2 Rh -","- C56 H40 F48 Li4 N16 O4 Rh2 -","2","0.5","","W. Jeffrey McCarty; Xiaoping Yang; Richard A. Jones","Synthesis, structure and DFT study of a pyrazolate stabilized mononuclear Rh(II) complex","Chem.Commun.","2011","47","","12164","","10.1039/c1cc15428a","","","0.71073","MoKα","","0.0461","0.0339","","","0.082","0.0882","","","","","","1.078","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107024","21.312","0.003","11.2949","0.0015","29.097","0.004","90","","90","","90","","7004.1","1.7","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H59 N3 O28 Zn4 -","- C52 H59 N3 O28 Zn4 -","- C208 H236 N12 O112 Zn16 -","4","1","","Bappaditya Gole; Arun Kumar Bar; Partha Sarathi Mukherjee","Fluorescent metal-organic framework for selective sensing of nitroaromatic explosives","Chem.Commun.","2011","47","","12137","","10.1039/c1cc15594f","","","0.71073","MoKα","","0.0215","0.0215","","","0.0723","0.0723","","","","","","1.122","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107025","19.167","0.005","12.636","0.003","11.55","0.003","90","","90","","90","","2797.3","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H30 B F2 N7 -","- C32 H30 B F2 N7 -","- C128 H120 B4 F8 N28 -","4","0.5","","Hanzhuang Liu; John Mack; Qiuli Guo; Hua Lu; Nagao Kobayashi; Zhen Shen","A selective colorimetric and fluorometric ammonium ion sensor based on the H-aggregation of an aza-BODIPY with fused pyrazine rings","Chem.Commun.","2011","47","","12092","","10.1039/c1cc15746a","","","0.71073","MoKα","","0.1057","0.0592","","","0.1534","0.1695","","","","","","1.028","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107026","12.717","0.003","17.24","0.003","18.924","0.004","109.86","0.03","100.4","0.03","107.82","0.03","3522","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H75 Cl12 O6 -","- C74 H75 Cl12 O6 -","- C148 H150 Cl24 O12 -","2","1","","Peng-Fei Li; Chuan-Feng Chen","Triptycene-derived calix[6]resorcinarene-like hosts: synthesis, structure and self-assemblies in the solid state","Chem.Commun.","2011","47","","12170","","10.1039/c1cc15895c","","","0.71073","MoKα","","0.2029","0.1819","","","0.43","0.4428","","","","","","2.396","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107028","12.531","0.003","38.597","0.008","14.299","0.002","90","","97.405","0.002","90","","6858","2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73 H74 O9 -","- C73 H74 O9 -","- C292 H296 O36 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Triptycene-derived calix[6]resorcinarene-like hosts: synthesis, structure and self-assemblies in the solid state","Chem.Commun.","2011","47","","12170","","10.1039/c1cc15895c","","","0.71073","MoKα","","0.1339","0.1167","","","0.3025","0.314","","","","","","1.09","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107029","7.311","0.002","10.562","0.003","11.339","0.003","103.765","0.014","98.1","0.012","95.523","0.013","834.3","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","X-ray destroyed during data collection. Very weak diffraction and high fragility of samples.","","","- C6 H16 Fe N14 O8 -","- C6 H16 Fe N14 O8 -","- C12 H32 Fe2 N28 O16 -","2","1","","Arnaud Grosjean; Nathalie Daro; Brice Kaufmann; Abdellak Kaiba; Jean-Francois Letard; Philippe Guionneau","The 1-D polymeric structure of the [Fe(NH2trz)3](NO3)2 x nH2O (with n = 2) spin crossover compound proven by single crystal investigations","Chem.Commun.","2011","47","","12382","","10.1039/c1cc14220h","","","1.54178","CuKα","","0.1269","0.0938","","","0.2342","0.261","","","","","","1.051","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107030","15.8591","0.0012","15.8591","0.0012","21.685","0.003","90","","90","","90","","5454","1","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H40 Cd Cl6 N12 O8 -","- C50 H40 Cd Cl6 N12 O8 -","- C200 H160 Cd4 Cl24 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0819","0.0708","","","0.1813","0.1893","","","","","","1.121","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107031","15.9014","0.0016","15.9014","0.0016","21.666","0.005","90","","90","","90","","5478.3","1.5","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H38 Cd Cl8 N12 O8 -","- C50 H38 Cd Cl8 N12 O8 -","- C200 H152 Cd4 Cl32 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0703","0.0586","","","0.1552","0.1634","","","","","","1.081","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107032","15.8632","0.0018","15.8632","0.0018","21.76","0.003","90","","90","","90","","5475.7","1.2","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H38 Cd Cl8 N12 O8 -","- C50 H38 Cd Cl8 N12 O8 -","- C200 H152 Cd4 Cl32 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0581","0.054","","","0.1377","0.1407","","","","","","1.064","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107033","15.8638","0.0016","15.8638","0.0016","21.568","0.004","90","","90","","90","","5427.8","1.3","123","2","123","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C49 H36 Cd Cl6 N12 O8 -","- C49 H36 Cd Cl6 N12 O8 -","- C196 H144 Cd4 Cl24 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.089","0.0728","","","0.1608","0.1686","","","","","","1.144","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107034","15.8178","0.0016","15.8178","0.0016","21.503","0.005","90","","90","","90","","5380.1","1.5","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H40 Cd Cl6 N12 O8 -","- C50 H40 Cd Cl6 N12 O8 -","- C200 H160 Cd4 Cl24 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0648","0.0589","","","0.1711","0.1765","","","","","","1.182","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107035","15.8545","0.0008","15.8545","0.0008","21.596","0.002","90","","90","","90","","5428.5","0.6","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H38 Cd Cl8 N12 O8 -","- C50 H38 Cd Cl8 N12 O8 -","- C200 H152 Cd4 Cl32 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0543","0.0522","","","0.1418","0.1443","","","","","","1.052","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107036","15.8633","0.001","15.8633","0.001","21.586","0.003","90","","90","","90","","5432","0.9","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C50 H38 Cd Cl8 N12 O8 -","- C50 H38 Cd Cl8 N12 O8 -","- C200 H152 Cd4 Cl32 N48 O32 -","4","0.5","","Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Reversible adsorption and complete separation of volatile chlorocarbons based on a Cd(II)-triazole MOF in a single-crystal-to-single-crystal fashion","Chem.Commun.","2011","47","","12343","","10.1039/c1cc14477d","","","0.71073","MoKα","","0.0587","0.0557","","","0.1493","0.1521","","","","","","1.05","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107037","15.074","0.0007","22.6062","0.0005","15.9852","0.0007","90","","112.233","0.006","90","","5042.2","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Eu N6 O6 P3 -","- C42 H42 Eu N6 O6 P3 -","- C168 H168 Eu4 N24 O24 P12 -","4","1","","James W. Walton; Lorenzo Di Bari; David Parker; Gennaro Pescitelli; Horst Puschmann; Dmitry S. Yufit","Structure, resolution and chirooptical analysis of stable lanthanide complexes of a pyridylmethylphosphinate triazacyclonane ligand","Chem.Commun.","2011","47","","12289","","10.1039/c1cc14904k","","","0.7107","MoKα","Mo","0.039","0.0314","","","0.0733","0.0748","","","","","","1.047","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107038","15.0447","0.0003","22.5125","0.0005","15.8446","0.0003","90","","112.163","0.01","90","","4970","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Ho N6 O6 P3 -","- C42 H42 Ho N6 O6 P3 -","- C168 H168 Ho4 N24 O24 P12 -","4","1","","James W. Walton; Lorenzo Di Bari; David Parker; Gennaro Pescitelli; Horst Puschmann; Dmitry S. Yufit","Structure, resolution and chirooptical analysis of stable lanthanide complexes of a pyridylmethylphosphinate triazacyclonane ligand","Chem.Commun.","2011","47","","12289","","10.1039/c1cc14904k","","x-ray","0.71073","MoKα","K-L~3~","0.0376","0.0286","","","0.067","0.0709","","","","","","1.02","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107039","15.1667","0.0005","22.6624","0.0006","15.9874","0.0006","90","","112.584","0.004","90","","5073.7","0.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N6 Nd O6 P3 -","- C42 H42 N6 Nd O6 P3 -","- C168 H168 N24 Nd4 O24 P12 -","4","1","","James W. Walton; Lorenzo Di Bari; David Parker; Gennaro Pescitelli; Horst Puschmann; Dmitry S. Yufit","Structure, resolution and chirooptical analysis of stable lanthanide complexes of a pyridylmethylphosphinate triazacyclonane ligand","Chem.Commun.","2011","47","","12289","","10.1039/c1cc14904k","","","0.7107","MoKα","Mo","0.0561","0.0457","","","0.1259","0.132","","","","","","1.088","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107040","15.0707","0.0004","22.5655","0.0005","15.9329","0.0004","90","","112.336","0.01","90","","5011.9","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N6 O6 P3 Sm -","- C42 H42 N6 O6 P3 Sm -","- C168 H168 N24 O24 P12 Sm4 -","4","1","","James W. Walton; Lorenzo Di Bari; David Parker; Gennaro Pescitelli; Horst Puschmann; Dmitry S. Yufit","Structure, resolution and chirooptical analysis of stable lanthanide complexes of a pyridylmethylphosphinate triazacyclonane ligand","Chem.Commun.","2011","47","","12289","","10.1039/c1cc14904k","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0398","","","0.0886","0.0965","","","","","","1.017","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107041","14.9636","0.0004","22.5457","0.0006","15.843","0.0004","90","","111.991","0.01","90","","4956","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N6 O6 P3 Tm -","- C42 H42 N6 O6 P3 Tm -","- C168 H168 N24 O24 P12 Tm4 -","4","1","","James W. Walton; Lorenzo Di Bari; David Parker; Gennaro Pescitelli; Horst Puschmann; Dmitry S. Yufit","Structure, resolution and chirooptical analysis of stable lanthanide complexes of a pyridylmethylphosphinate triazacyclonane ligand","Chem.Commun.","2011","47","","12289","","10.1039/c1cc14904k","","x-ray","0.71073","MoKα","K-L~3~","0.0513","0.0434","","","0.1176","0.1219","","","","","","1.059","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107042","14.9462","0.0004","22.522","0.0006","15.8151","0.0004","90","","111.917","0.01","90","","4938.9","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N6 O6 P3 Yb -","- C42 H42 N6 O6 P3 Yb -","- C168 H168 N24 O24 P12 Yb4 -","4","1","","James W. Walton; Lorenzo Di Bari; David Parker; Gennaro Pescitelli; Horst Puschmann; Dmitry S. Yufit","Structure, resolution and chirooptical analysis of stable lanthanide complexes of a pyridylmethylphosphinate triazacyclonane ligand","Chem.Commun.","2011","47","","12289","","10.1039/c1cc14904k","","x-ray","0.71073","MoKα","K-L~3~","0.0437","0.0322","","","0.0896","0.0954","","","","","","1.035","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107043","40.139","0.006","9.4559","0.0013","11.1246","0.0014","90","","100.587","0.002","90","","4150.5","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cl N2 O3 S2 -","- C21 H19 Cl N2 O3 S2 -","- C168 H152 Cl8 N16 O24 S16 -","8","1","","He Wang; Yu-Long Zhao; Chuan-Qing Ren; Aboubacar Diallo; Qun Liu","Tandem [5 + 1] annulation-isocyanide cyclization: efficient synthesis of hydroindolones","Chem.Commun.","2011","47","","12316","","10.1039/c1cc14916d","","","0.71073","MoKα","","0.0669","0.0486","","","0.1252","0.1375","","","","","","1.036","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107044","14.075","0.006","16.502","0.007","19.601","0.008","92.546","0.007","108.332","0.007","109.447","0.007","4018","3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H136 N12 O28 Pd2 S4 -","- C152 H136 N12 O28 Pd2 S4 -","- C152 H136 N12 O28 Pd2 S4 -","1","0.5","","Ryo Sekiya; Reiko Kuroda","Pd2+***O3SR^-^ interaction encourages anion encapsulation in a quadruply-stranded Pd complex to achieve chirality or high solubility","Chem.Commun.","2011","47","","12346","","10.1039/c1cc14982b","","x-ray","0.71073","MoKα","","0.1148","0.0737","","","0.1583","0.1735","","","","","","0.945","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107045","14.6994","0.0011","16.5936","0.0012","17.1117","0.0012","83.298","0.001","85.992","0.001","63.96","0.001","3723.7","0.5","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C152 H176 N8 O34 Pd2 S10 -","- C152 H176 N8 O34 Pd2 S10 -","- C152 H176 N8 O34 Pd2 S10 -","1","1","","Ryo Sekiya; Reiko Kuroda","Pd2+***O3SR^-^ interaction encourages anion encapsulation in a quadruply-stranded Pd complex to achieve chirality or high solubility","Chem.Commun.","2011","47","","12346","","10.1039/c1cc14982b","","x-ray","0.71073","MoKα","","0.04","0.0361","","","0.0953","0.0974","","","","","","1.057","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107046","9.3474","0.0002","16.2628","0.0004","15.8953","0.0004","90","","106.355","0.0011","90","","2318.54","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Al Cl3 N2 -","- C22 H28 Al Cl3 N2 -","- C88 H112 Al4 Cl12 N8 -","4","1","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.0816","0.0527","","0.159","0.144","0.159","","","","","","1.0303","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107047","8.2731","0.0001","16.7816","0.0002","16.7028","0.0003","90","","92.0275","0.0006","90","","2317.5","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 B Br3 N2 -","- C22 H28 B Br3 N2 -","- C88 H112 B4 Br12 N8 -","4","1","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.0498","0.0334","","0.0838","0.0701","0.0838","","","","","","0.8767","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107048","9.3709","0.0001","16.2052","0.0002","15.8875","0.0002","90","","106.271","0.0007","90","","2316","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cl3 Ga N2 -","- C22 H28 Cl3 Ga N2 -","- C88 H112 Cl12 Ga4 N8 -","4","1","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.0795","0.0402","","0.122","0.0846","0.122","","","","","","0.9731","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107049","9.3044","0.0001","16.4546","0.0002","15.8068","0.0002","90","","106.657","0.0005","90","","2318.48","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Al Cl3 N -","- C23 H25 Al Cl3 N -","- C92 H100 Al4 Cl12 N4 -","4","1","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.0663","0.0428","","0.1009","0.0915","0.1009","","","","","","0.9665","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107050","9.3105","0.0002","16.5276","0.0003","15.7099","0.0003","90","","106.673","0.0008","90","","2315.81","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl3 Ga N -","- C23 H25 Cl3 Ga N -","- C92 H100 Cl12 Ga4 N4 -","4","1","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.055","0.0356","","0.0824","0.075","0.0824","","","","","","0.9786","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7107051","14.9451","0.0002","15.0835","0.0002","15.2202","0.0002","100.901","0.0005","95.1777","0.0005","105.988","0.0005","3201.74","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H61 Al2 B2 Br12 F N4 -","- C50 H61 Al2 B2 Br12 F N4 -","- C100 H122 Al4 B4 Br24 F2 N8 -","2","1","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.0753","0.046","","0.0769","0.0625","0.0769","","","","","","0.9449","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107052","12.4226","0.0001","13.3058","0.0001","18.0226","0.0001","90","","103.593","0.0003","90","","2895.56","0.04","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Al B Br6 N -","- C23 H25 Al B Br6 N -","- C92 H100 Al4 B4 Br24 N4 -","4","1","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.04","0.0316","","0.0715","0.0678","0.0715","","","","","","1.0073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107053","11.8539","0.0002","13.1384","0.0003","18.3488","0.0004","90","","90","","90","","2857.67","0.1","150","","150","","","","","","","","","5","P c n n","-P 2ab 2c","52","","","","- C23 H25 B2 Br6 N -","- C23 H25 B2 Br6 N -","- C92 H100 B8 Br24 N4 -","4","0.5","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.0578","0.0356","","0.074","0.0676","0.074","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107054","9.2145","0.0003","12.0905","0.0004","14.8659","0.0005","105.339","0.0012","107.565","0.0013","93.3676","0.0013","1505.32","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 Al B Cl4 N O2 -","- C29 H29 Al B Cl4 N O2 -","- C58 H58 Al2 B2 Cl8 N2 O4 -","2","1","","Hassanatu B. Mansaray; Alexander D.R. Rowe; Nicholas Phillips; Jochen Niemeyer; Michael Kelly; David A. Addy; Joshua I. Bates; Simon Aldridge","Modelling fundamental arene-borane contacts: spontaneous formation of a dibromoborenium cation driven by interaction between a borane Lewis acid and an arene p system","Chem.Commun.","2011","47","","12295","","10.1039/c1cc15259a","","","0.71073","MoKα","","0.0669","0.0546","","0.1781","0.1672","0.1777","","","","","","1.3142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107055","12.7","0.0003","15.71","0.0003","22.595","0.0006","90","","91.878","0.001","90","","4505.67","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H134 Hf2 N2 O8 -","- C99 H134 Hf2 N2 O8 -","- C198 H268 Hf4 N4 O16 -","2","0.5","","Ben J. Jeffery; Emma L. Whitelaw; Daniel Garcia-Vivo; Joseph A. Stewart; Mary F. Mahon; Matthew G. Davidson; Matthew D. Jones","Group 4 initiators for the production of syndiotactically enriched polybutyrolacton","Chem.Commun.","2011","47","","12328","","10.1039/c1cc15265c","","","0.71073","MoKα","","0.0636","0.0416","","","0.0962","0.1072","","","","","","1.059","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107056","11.2914","0.0017","8.1975","0.0013","18.139","0.003","90","","90","","90","","1679","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Ying Wei; Shaoxia Lin; Juan Zhang; Zaihai Niu; Qiang Fu; Fushun Liang","Halonium-initiated electrophilic cascades of 1-alkenoylcyclopropane carboxamides: efficient access to dihydrofuropyridinones and 3(2H)-furanones","Chem.Commun.","2011","47","","12394","","10.1039/c1cc15319f","","","0.71073","MoKα","","0.0761","0.0447","","","0.1177","0.1462","","","","","","1.043","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107057","19.023","0.005","8.279","0.005","11.214","0.005","90","","103.913","0.005","90","","1714.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Ying Wei; Shaoxia Lin; Juan Zhang; Zaihai Niu; Qiang Fu; Fushun Liang","Halonium-initiated electrophilic cascades of 1-alkenoylcyclopropane carboxamides: efficient access to dihydrofuropyridinones and 3(2H)-furanones","Chem.Commun.","2011","47","","12394","","10.1039/c1cc15319f","","","0.71073","MoKα","","0.1663","0.0606","","","0.1239","0.1644","","","","","","0.982","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107058","4.67","0.003","24.712","0.003","12.388","0.003","90","","91.024","0.003","90","","1429.4","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 Cl N O4 -","- C14 H14 Cl N O4 -","- C56 H56 Cl4 N4 O16 -","4","1","","Ying Wei; Shaoxia Lin; Juan Zhang; Zaihai Niu; Qiang Fu; Fushun Liang","Halonium-initiated electrophilic cascades of 1-alkenoylcyclopropane carboxamides: efficient access to dihydrofuropyridinones and 3(2H)-furanones","Chem.Commun.","2011","47","","12394","","10.1039/c1cc15319f","","","0.71073","MoKα","","0.0645","0.0435","","","0.1049","0.1191","","","","","","1.003","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107059","27.566","0.004","14.6753","0.0019","25.184","0.004","90","","106.695","0.003","90","","9758","2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Reduced Tetradecamolybdate","","","- C52 H115 Mo14 N2 O52.5 -","- C48 H100 Mo14 N2 O51 -","- C192 H400 Mo56 N8 O204 -","4","0.5","","Akihiko Hashikawa; Makkiko Fujimoto; Yoshihito Hayashi; Hitoshi Miyasaka","Isolation of stable lacunary Dawson-type structure in a polyoxomolybdate cluster","Chem.Commun.","2011","47","","12361","","10.1039/c1cc15439g","","","0.7107","MoKα","","0.0847","0.0702","","","0.1314","0.1387","","","","","","1.225","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107060","31.83","0.02","12.576","0.008","23.076","0.014","90","","98.962","0.015","90","","9124","10","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 Cl5 N3 Pd -","- C43 H46 Cl5 N3 Pd -","- C344 H368 Cl40 N24 Pd8 -","8","1","","Tao Tu; Weiwei Fang; Jiang Jian","A highly efficient precatalyst for amination of aryl chlorides: synthesis, structure and application of a robust acenaphthoimidazolylidene palladium complex","Chem.Commun.","2011","47","","12358","","10.1039/c1cc15503b","","","0.71073","MoKα","","0.1046","0.0709","","","0.1879","0.2238","","","","","","1.12","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107061","5.6234","0.0001","11.2327","0.0001","25.114","0.0002","90","","90","","90","","1586.35","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Naiara Fernandez; Luisa Carrillo; Jose L. Vicario; Dolores Badia; Efraim Reyes","Organocatalytic Enantioselective (3+2) Cycloaddition Using Stable Azomethine Ylides","Chem.Commun.","2011","47","","12313","","10.1039/c1cc15671c","","x-ray","1.54184","CuKα","","0.0253","0.0248","","","0.0627","0.063","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107062","12.2162","0.0007","12.2612","0.0007","17.8399","0.0011","72.2279","0.0007","73.7807","0.0007","63.2388","0.0007","2240.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Al4 Cl15 P2 Sb -","- C26 H24 Al4 Cl15 P2 Sb -","- C52 H48 Al8 Cl30 P4 Sb2 -","2","1","","Saurabh S. Chitnis; Brendan Peters; Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Structural diversity for phosphine complexes of stibenium and stibinidenium cations","Chem.Commun.","2011","47","","12331","","10.1039/c1cc15693d","","","0.71073","MoKα","","0.0361","0.0262","","","0.0549","0.0652","","","","","","1.062","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107063","16.299","0.002","10.3844","0.0015","25.251","0.004","90","","98.272","0.002","90","","4229.4","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 Al4 Cl11 P2 Sb -","- C25 H22 Al2 Cl9 P2 Sb -","- C100 H88 Al8 Cl36 P8 Sb4 -","4","1","","Saurabh S. Chitnis; Brendan Peters; Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Structural diversity for phosphine complexes of stibenium and stibinidenium cations","Chem.Commun.","2011","47","","12331","","10.1039/c1cc15693d","","","0.71073","MoKα","","0.0576","0.0479","","","0.1216","0.1257","","","","","","1.063","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107064","11.1129","0.0003","11.3226","0.0003","13.0683","0.0004","90","","90","","90","","1644.34","0.08","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cl2 F3 O3 P2 S Sb -","- C7 H16 Cl2 F3 O3 P2 S Sb -","- C28 H64 Cl8 F12 O12 P8 S4 Sb4 -","4","1","","Saurabh S. Chitnis; Brendan Peters; Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Structural diversity for phosphine complexes of stibenium and stibinidenium cations","Chem.Commun.","2011","47","","12331","","10.1039/c1cc15693d","","","0.71073","MoKα","","0.0132","0.0131","","","0.0329","0.0329","","","","","","1.117","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107065","10.527","0.0003","12.8155","0.0003","14.0046","0.0003","74.3015","0.0003","71.3838","0.0003","87.5567","0.0003","1721.72","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Al Cl8 P2 Sb -","- C27 H26 Al Cl8 P2 Sb -","- C54 H52 Al2 Cl16 P4 Sb2 -","2","1","","Saurabh S. Chitnis; Brendan Peters; Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Structural diversity for phosphine complexes of stibenium and stibinidenium cations","Chem.Commun.","2011","47","","12331","","10.1039/c1cc15693d","","","0.71073","MoKα","","0.0269","0.0236","","","0.0564","0.0582","","","","","","1.021","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107066","10.3131","0.0002","11.7645","0.0003","13.2776","0.0003","81.5321","0.0003","73.3679","0.0003","86.3619","0.0003","1526.34","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Al Cl6 P2 Sb -","- C25 H22 Al Cl6 P2 Sb -","- C50 H44 Al2 Cl12 P4 Sb2 -","2","1","","Saurabh S. Chitnis; Brendan Peters; Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Structural diversity for phosphine complexes of stibenium and stibinidenium cations","Chem.Commun.","2011","47","","12331","","10.1039/c1cc15693d","","","0.71073","MoKα","","0.0217","0.02","","","0.0472","0.048","","","","","","1.023","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107067","25.4181","0.0011","6.453","0.0003","22.8805","0.001","90","","113.889","0.0004","90","","3431.4","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C7 H18 Cl2 F3 O3 P2 S Sb -","- C7 H18 Cl2 F3 O3 P2 S Sb -","- C56 H144 Cl16 F24 O24 P16 S8 Sb8 -","8","1","","Saurabh S. Chitnis; Brendan Peters; Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Structural diversity for phosphine complexes of stibenium and stibinidenium cations","Chem.Commun.","2011","47","","12331","","10.1039/c1cc15693d","","","0.71073","MoKα","","0.0153","0.0149","","","0.0385","0.0387","","","","","","1.089","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107068","7.345","0.005","13.689","0.005","14.699","0.005","90","0.005","99.057","0.005","90","0.005","1459.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Al B Cl6 N -","- C7 H9 Al B Cl6 N -","- C28 H36 Al4 B4 Cl24 N4 -","4","1","","Alessandro Del Grosso; Matthew Helm; Sophia A. Solomon; Dolores Caras-Quintero; Michael Ingleson","Simple inexpensive boron electrophiles for direct arene borylation","Chem.Commun.","2011","47","","12459","","10.1039/c1cc14226g","","","0.71073","MoKα","","0.0433","0.0288","","","0.0576","0.0599","","","","","","0.897","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107069","18.4873","0.0004","18.4873","0.0004","25.7549","0.0006","90","","90","","120","","7623.2","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H39 Cu7 I4 N10 -","- C45 H38.97 Cu7 I4 N10 -","- C270 H233.82 Cu42 I24 N60 -","6","0.333333","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jun-Hao Wang; Ju-Rong Yang; Dan Li","When Cu4I4 cubane meets Cu3(Pyrazolate)3 triangle: dynamic interplay between two classical luminophores functioning in a reversiblly thermochromic coordination polymer","Chem.Commun.","2011","47","","12441","","10.1039/c1cc14303d","","","0.7107","MoKα","","0.0552","0.0372","","","0.0709","0.0792","","","","","","1.024","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107070","18.469","0.0004","18.469","0.0004","25.3532","0.0006","90","","90","","120","","7489.5","0.3","100","2","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H39 Cu7 I4 N10 -","- C45 H38.97 Cu7 I4 N10 -","- C270 H233.82 Cu42 I24 N60 -","6","0.333333","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jun-Hao Wang; Ju-Rong Yang; Dan Li","When Cu4I4 cubane meets Cu3(Pyrazolate)3 triangle: dynamic interplay between two classical luminophores functioning in a reversiblly thermochromic coordination polymer","Chem.Commun.","2011","47","","12441","","10.1039/c1cc14303d","","","0.7107","MoKα","","0.0588","0.0402","","","0.0705","0.0811","","","","","","1.077","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107071","9.5421","0.0003","16.8001","0.0007","34.0526","0.001","90","","96.613","0.001","90","","5422.6","0.3","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl2 N5 Na O10 Os S -","- C22 H22 Cl2 N5 Na O10 Os S -","- C176 H176 Cl16 N40 Na8 O80 Os8 S8 -","8","1","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","A bis-bipyridine osmium(II) complex with an N,S-chelating 2-aminoethanesulfinate: photoinduced conversion of amine to imine donor group by air oxidation","Chem.Commun.","2011","47","","12464","","10.1039/c1cc14342e","","","0.71075","MoKα","","0.0568","0.0462","","","0.1179","0.1253","","","","","","1.095","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107072","15.917","0.0003","9.4043","0.0002","20.2031","0.0005","90","","100.515","0.001","90","","2973.38","0.11","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F12 N6 O2 Os P2 S -","- C22 H24 F12 N6 O2 Os P2 S -","- C88 H96 F48 N24 O8 Os4 P8 S4 -","4","1","","Motoshi Tamura; Kiyoshi Tsuge; Asako Igashira-Kamiyama; Takumi Konno","A bis-bipyridine osmium(II) complex with an N,S-chelating 2-aminoethanesulfinate: photoinduced conversion of amine to imine donor group by air oxidation","Chem.Commun.","2011","47","","12464","","10.1039/c1cc14342e","","","0.71075","MoKα","","0.0307","0.0262","","","0.0618","0.0637","","","","","","1.045","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107073","12.548","0.001","16.139","0.001","21.028","0.001","69.106","0.001","87.515","0.001","86.34","0.001","3969.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H71 Eu F9 N5 O6 -","- C78 H71 Eu F9 N5 O6 -","- C156 H142 Eu2 F18 N10 O12 -","2","1","","Zhang-Jun Hu; Xiao-He Tian; Xiang-Hua Zhao; Peng Wang; Qiong Zhang; Ping-Ping Sun; Jie-Ying Wu; Jia-Xiang Yang; Yu-Peng Tian","Efficient two-photon-sensitized luminescence of a novel europium(III) B-diketonate complex and application in biological imaging","Chem.Commun.","2011","47","","12467","","10.1039/c1cc14968g","","","0.71073","MoKα","","0.0655","0.0464","","","0.1339","0.1481","","","","","","0.963","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107074","5.027","0.002","14.846","0.003","26.355","0.003","90","","92.576","0.002","90","","1964.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F3 N O2 -","- C22 H22 F3 N O2 -","- C88 H88 F12 N4 O8 -","4","1","","Zhang-Jun Hu; Xiao-He Tian; Xiang-Hua Zhao; Peng Wang; Qiong Zhang; Ping-Ping Sun; Jie-Ying Wu; Jia-Xiang Yang; Yu-Peng Tian","Efficient two-photon-sensitized luminescence of a novel europium(III) B-diketonate complex and application in biological imaging","Chem.Commun.","2011","47","","12467","","10.1039/c1cc14968g","","","0.71073","MoKα","","0.2766","0.0959","","","0.187","0.2361","","","","","","1","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107075","13.696","0.009","5.641","0.004","17.155","0.011","90","","101.063","0.008","90","","1300.8","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Br N O2 -","- C13 H15 Br N O2 -","- C52 H60 Br4 N4 O8 -","4","1","","Rui Lang; Junliang Wu; Lijun Shi; Chungu Xia; Fuwei Li","Regioselective Rh-catalyzed direct carbonylation of indoles to synthesize indole-3-carboxylates","Chem.Commun.","2011","47","","12553","","10.1039/c1cc15143f","","","0.71073","MoKα","","0.1174","0.0742","","","0.1864","0.2178","","","","","","0.918","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7107076","9.0254","0.0019","11.308","0.002","16.035","0.004","90","","93.845","0.006","90","","1632.8","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 B F2 N2 O -","- C17 H21 B F2 N2 O -","- C68 H84 B4 F8 N8 O4 -","4","1","","Dhiraj Murale; Kang Mun Lee; Kibong Kim; David G. Churchill","Facile 'one pot' route to the novel benzazulene-type dye class: asymmetric, derivatizable, 5-7-6 fused ring puckered half BODIPY design","Chem.Commun.","2011","47","","12512","","10.1039/c1cc15433h","","","0.71073","MoKα","","0.0815","0.0608","","","0.163","0.1788","","","","","","1.027","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107077","20.366","0.009","7.556","0.003","27.882","0.012","90","","106.43","0.03","90","","4115","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 B F2 N2 O S -","- C22 H24 B F2 N2 O S -","- C176 H192 B8 F16 N16 O8 S8 -","8","1","","Dhiraj Murale; Kang Mun Lee; Kibong Kim; David G. Churchill","Facile 'one pot' route to the novel benzazulene-type dye class: asymmetric, derivatizable, 5-7-6 fused ring puckered half BODIPY design","Chem.Commun.","2011","47","","12512","","10.1039/c1cc15433h","","","0.71073","MoKα","","0.2096","0.0802","","","0.1924","0.249","","","","","","0.912","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107078","12.7459","0.0015","12.77","0.0013","23.352","0.003","90","","90","","90","","3800.9","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 B F2 N3 -","- C20 H22 B F2 N3 -","- C160 H176 B8 F16 N24 -","8","1","","Dhiraj Murale; Kang Mun Lee; Kibong Kim; David G. Churchill","Facile 'one pot' route to the novel benzazulene-type dye class: asymmetric, derivatizable, 5-7-6 fused ring puckered half BODIPY design","Chem.Commun.","2011","47","","12512","","10.1039/c1cc15433h","","","0.71073","MoKα","","0.1461","0.0539","","","0.1215","0.174","","","","","","1.017","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107079","18.13","0.008","6.686","0.005","27.098","0.017","90","","98.098","0.017","90","","3252","3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Halichonine B HCl complex","","","- C58 H108 Cl4 N4 O5 -","- C58 H108 Cl4 N4 O5 -","- C116 H216 Cl8 N8 O10 -","2","1","","Osamu Ohno; Tatsuhiko Chiba; Seiji Todoroki; Hideaki Yoshimura; Norihito Maru; Ken Maekawa; Hiroshi Imagawa; Kaoru Yamada; Atsushi Wakamiya; Kiyotake Suenaga; Daisuke Uemura","Halichonines A, B, and C, Novel Cytotoxic Alkaloids from the Marine Sponge <i>Halichondria okadai</i> Kadota","Chem.Commun.","2011","47","","12453","","10.1039/c1cc15557a","","","0.71069","MoKa","","0.2588","0.1352","","","0.3374","0.4198","","","","","","1.128","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107080","8.521","0.003","14.946","0.006","22.415","0.009","90","","90","","90","","2854.7","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 F3 N2 O3 S -","- C29 H33 F3 N2 O3 S -","- C116 H132 F12 N8 O12 S4 -","4","1","","Jun Zhang; Xiaolong Su; Jun Fu; Min Shi","A facile preparation of backbone-substituted, functionalized and chiral imidazolinium salts","Chem.Commun.","2011","47","","12541","","10.1039/c1cc15609h","","","0.71073","MoKα","","0.1151","0.0774","","","0.1995","0.2232","","","","","","0.998","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107081","15.2391","0.0017","15.3799","0.0018","22.066","0.003","90","","90","","90","","5171.7","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I N2 -","- C27 H31 I N2 -","- C216 H248 I8 N16 -","8","2","","Jun Zhang; Xiaolong Su; Jun Fu; Min Shi","A facile preparation of backbone-substituted, functionalized and chiral imidazolinium salts","Chem.Commun.","2011","47","","12541","","10.1039/c1cc15609h","","","0.71073","MoKα","","0.0737","0.0481","","","0.1444","0.1672","","","","","","1.022","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107082","13.2441","0.0017","15.93","0.002","27.319","0.003","90","","90","","90","","5763.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 I N2 -","- C30 H37 I N2 -","- C240 H296 I8 N16 -","8","2","","Jun Zhang; Xiaolong Su; Jun Fu; Min Shi","A facile preparation of backbone-substituted, functionalized and chiral imidazolinium salts","Chem.Commun.","2011","47","","12541","","10.1039/c1cc15609h","","","0.71073","MoKα","","0.1057","0.0643","","","0.1781","0.2095","","","","","","1.024","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107083","19.3307","0.0002","19.3307","0.0002","27.7612","0.0008","90","","90","","90","","10373.7","0.3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24.5 H22.5 Fe N4 O3.75 -","- C24.5 H18 Fe N4 O3.75 -","- C392 H288 Fe16 N64 O60 -","16","1","","Lihong Li; Guy J. Clarkson; David J. Evans; Martin R. Lees; Scott S. Turner; Peter Scott","Isomeric Fe(II) MOFs: from a diamond-framework spin-crossover material to a 2D hard magnet","Chem.Commun.","2011","47","","12646","","10.1039/c1cc15574a","","","0.71073","MoKα","","0.1068","0.0553","","","0.1291","0.1407","","","","","","0.922","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107084","9.9499","0.0006","11.0634","0.0005","19.3835","0.0009","90","","90","","90","","2133.73","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Fe N4 O2 -","- C24 H18 Fe N4 O2 -","- C96 H72 Fe4 N16 O8 -","4","0.5","","Lihong Li; Guy J. Clarkson; David J. Evans; Martin R. Lees; Scott S. Turner; Peter Scott","Isomeric Fe(II) MOFs: from a diamond-framework spin-crossover material to a 2D hard magnet","Chem.Commun.","2011","47","","12646","","10.1039/c1cc15574a","","","1.54178","CuKα","","0.1027","0.083","","","0.1831","0.1936","","","","","","1.177","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107085","6.25","0.0009","5.4472","0.0007","19.18","0.02","90","","99.046","0.009","90","","644.9","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","Anthra[2,3-c:7,6-c']dithiophene-5,11-dione","","","- C18 H8 O2 S2 -","- C18 H8 O2 S2 -","- C36 H16 O4 S4 -","2","0.5","","Djukic, Brandon; Perepichka, Dmitrii F.","Non-classical heteroacenes: synthesis and properties of anthra[2,3-c:6,7-c']dithiophene derivatives","Chemical Communications (Cambridge, United Kingdom)","2011","47","47","12619","12621","10.1039/c1cc15623c","","","1.54178","CuKα","","0.1019","0.094","","","0.2623","0.2756","","","","","","1.14","","","","has coordinates","209793","2020-10-21","18:00:00",""
"7107086","9.679","0.001","15.1737","0.0015","6.3703","0.0006","90","","97.759","0.002","90","","927.02","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N O5 -","- C9 H7 N O5 -","- C36 H28 N4 O20 -","4","1","","Yan-Ping Zhu; Qing-He Gao; Mi Lian; Jing-Jing Yuan; Mei-Cai Liu; Qin Zhao; Yan Yang; An-Xin Wu","Sustainable Byproduct Catalyzed Domino Strategy: Facile Synthesis of a-formyloxy and Acetoxy Ketones via Iodination/Nucleophilic Substitution/Hydrolyzation/Oxidation Sequences","Chem.Commun.","2011","47","","12700","","10.1039/c1cc15819h","","","0.71073","MoKα","","0.061","0.0539","","","0.1575","0.1656","","","","","","1.047","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107087","9.077","0.005","12.606","0.007","9.405","0.005","90","","102.097","0.009","90","","1052.3","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9.5 N O5.25 -","- C10 H9.4 N O5.2 -","- C40 H37.6 N4 O20.8 -","4","1","","Yan-Ping Zhu; Qing-He Gao; Mi Lian; Jing-Jing Yuan; Mei-Cai Liu; Qin Zhao; Yan Yang; An-Xin Wu","Sustainable Byproduct Catalyzed Domino Strategy: Facile Synthesis of a-formyloxy and Acetoxy Ketones via Iodination/Nucleophilic Substitution/Hydrolyzation/Oxidation Sequences","Chem.Commun.","2011","47","","12700","","10.1039/c1cc15819h","","","0.71073","MoKα","","0.0727","0.0561","","","0.1588","0.1659","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107088","16.18","0.003","21.569","0.004","23.123","0.004","90","","106.198","0.002","90","","7749","2","163","2","163","2","","","","","","","","6","P 1 c 1","P -2yc","7","pentakis(3,6-bis(pyrimid-2-yl)-1,2,4,5-tetrazine- N,N',N'',N''')-decakis(acetonitrile-N)- pentairon(ii)hexafluoroantimonate(V) clathrate nonakis(hexafluoroantimonate(V)) acetonitrile toluene solvate'","pentakis(3,6-bis(pyrimid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''')- decakis(acetonitrile-N)-pentairon(II)hexafluoroantimonate(V) clathrate nonakis(hexafluoroantimonate(V)) acetonitrile toluene solvate'","","- C90 H87.5 F60 Fe5 N56.5 Sb10 -","- C90 H87.5 F60 Fe5 N56.5 Sb10 -","- C180 H175 F120 Fe10 N113 Sb20 -","2","1","","Giles, Ian D.; Chifotides, Helen T.; Shatruk, Michael; Dunbar, Kim R.","Anion-templated self-assembly of highly stable Fe(II) pentagonal metallacycles with short anion‒π contacts","Chemical Communications (Cambridge, United Kingdom)","2011","47","47","12604","12606","10.1039/c1cc15868f","","x-ray","0.71073","MoKα","","0.196","0.078","","","0.1599","0.2097","","","","","","0.94","","","","has coordinates","211023","2020-10-21","18:00:00",""
"7107089","11.824","0.011","37.92","0.04","34.12","0.03","90","","90","","90","","15298","3","163","2","163","2","","","","","","","","6","P b c n","-P 2n 2ab","60","pentakis(3,6-bis(pyrid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''') -decakis(acetonitrile-N)-pentairon(ii)bis hexafluoroantimonate(V) clathrate octakis(hexafluoroantimonate(V)) acetonitrile solvate","pentakis(3,6-bis(pyrid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''') -decakis(acetonitrile-N)-pentairon(II)bis hexafluoroantimonate(V) clathrate octakis(hexafluoroantimonate(V)) acetonitrile solvate","","- C80 H70 F60 Fe5 N40 Sb10 -","- C80 H70 F60 Fe5 N40 Sb10 -","- C320 H280 F240 Fe20 N160 Sb40 -","4","0.5","","Giles, Ian D.; Chifotides, Helen T.; Shatruk, Michael; Dunbar, Kim R.","Anion-templated self-assembly of highly stable Fe(II) pentagonal metallacycles with short anion‒π contacts","Chemical Communications (Cambridge, United Kingdom)","2011","47","47","12604","12606","10.1039/c1cc15868f","","x-ray","0.71073","MoKα","","0.2411","0.0857","","","0.1952","0.2404","","","","","","0.714","","","","has coordinates,has disorder","211023","2020-10-21","18:00:00",""
"7107090","9.2571","0.0002","11.7675","0.0002","13.404","0.0003","106.279","0.001","109.121","0.001","99.184","0.001","1272.37","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Jing Zeng; Yaguang Bai; Shuting Cai; Jimei Ma; Xue-Wei Liu","Direct synthesis of pyrroles via a silver-promoted three-component reaction involving unusual imidazole ring opening","Chem.Commun.","2011","47","","12855","","10.1039/c1cc14716a","","","0.71073","MoKα","","0.061","0.0447","","","0.1226","0.1442","","","","","","1.089","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107091","10.239","0.003","13.25","0.003","13.777","0.004","90","","98.535","0.006","90","","1848.4","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 F3 N O8 Re S -","- C13 H11 F3 N O8 Re S -","- C52 H44 F12 N4 O32 Re4 S4 -","4","1","","Celedonio Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","pH-driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes","Chem.Commun.","2011","47","","12765","","10.1039/c1cc14799d","","","0.71073","MoKα","","0.0275","0.0202","","","0.0464","0.0493","","","","","","1.023","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107092","9.771","0.004","10.788","0.005","16.627","0.007","76.752","0.007","76.379","0.007","64.443","0.007","1520.3","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl2 N2 O10 Re2 -","- C25 H22 Cl2 N2 O10 Re2 -","- C50 H44 Cl4 N4 O20 Re4 -","2","1","","Celedonio Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","pH-driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes","Chem.Commun.","2011","47","","12765","","10.1039/c1cc14799d","","","0.71073","MoKα","","0.0585","0.0391","","","0.0907","0.0976","","","","","","0.982","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107093","10.435","0.005","10.745","0.005","17.496","0.009","72.785","0.008","89.968","0.008","63.12","0.007","1650.8","1.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H26 F3 N O8 P Re S -","- C31 H26 F3 N O8 P Re S -","- C62 H52 F6 N2 O16 P2 Re2 S2 -","2","1","","Celedonio Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","pH-driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes","Chem.Commun.","2011","47","","12765","","10.1039/c1cc14799d","","","0.71073","MoKα","","0.0294","0.024","","","0.0579","0.0682","","","","","","1.061","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107094","16.0976","0.0019","11.2626","0.0014","19.588","0.002","90","","96.309","0.002","90","","3529.8","0.7","298","2","298","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cl2 F3 N O8 P Re S -","- C32 H28 Cl2 F3 N O8 P Re S -","- C128 H112 Cl8 F12 N4 O32 P4 Re4 S4 -","4","1","","Celedonio Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","pH-driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes","Chem.Commun.","2011","47","","12765","","10.1039/c1cc14799d","","","0.71073","MoKα","","0.1041","0.0476","","","0.113","0.1499","","","","","","1.027","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107095","21.04","0.013","19.262","0.012","14.903","0.009","90","","109.33","0.008","90","","5699","6","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H21 Cl F3 N2 O8 Re S -","- C22.5 H21 Cl F3 N2 O8 Re S -","- C180 H168 Cl8 F24 N16 O64 Re8 S8 -","8","1","","Celedonio Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel","pH-driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes","Chem.Commun.","2011","47","","12765","","10.1039/c1cc14799d","","","0.71073","MoKα","","0.0724","0.0341","","","0.0783","0.0983","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107096","8.4941","0.0004","14.0115","0.0006","14.3666","0.0006","103.151","0.002","92.589","0.002","99.426","0.002","1636.46","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C40 H38 N4 O8 -","- C40 H38 N4 O8 -","- C80 H76 N8 O16 -","2","1","","Marc Vidal; Vanessa Kairouz; Christine DeWolf; Andreea R. Schmitzer","A Molecular Chalice with Hydrophobic Walls and Hydrophilic Rim: Self-assembly and Complexation Properties","Chem.Commun.","2011","47","","12834","","10.1039/c1cc15125h","","","1.54178","CuKα","","0.0518","0.038","","","0.0978","0.1027","","","","","","1.047","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107097","28.664","0.0008","19.9202","0.0006","20.9345","0.0006","90","","131.918","0.0007","90","","8894.6","0.5","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C162 H102 Cl N Na O85 -","- C162 H102 Cl N Na O85 -","- C324 H204 Cl2 N2 Na2 O170 -","2","0.5","","Atsushi Ikeda; Ryota Aono; Naotake Maekubo; Shohei Katao; Jun-ichi Kikuchi; Motofusa Akiyama","Pseudorotaxane structure of a fullerene derivative-cyclodextrin 1:2 complex","Chem.Commun.","2011","47","","12795","","10.1039/c1cc15229g","","","0.71075","MoKα","","","0.0772","","","","0.2218","","","","","","1.042","","","","has coordinates,has disorder","180174","2020-10-21","18:00:00",""
"7107098","7.7932","0.0008","8.7008","0.0009","24.571","0.003","90","","96.845","0.002","90","","1654.2","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Rekha R. Avirah; Kuthanapillil Jyothish; Cherumuttathu H. Suresh; Eringathodi Suresh; Danaboyina Ramaiah","Novel semisquaraine regioisomers: isolation, divergent chemical reactivity and photophysical properties","Chem.Commun.","2011","47","","12822","","10.1039/c1cc15261k","","","0.71073","MoKα","","0.1093","0.0958","","","0.1988","0.2061","","","","","","1.263","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107099","8.6579","0.0012","9.1217","0.0012","13.0877","0.0018","85.292","0.002","75.94","0.002","62.358","0.002","887.6","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 N O4 -","- C21 H14 N O4 -","- C42 H28 N2 O8 -","2","1","","Rekha R. Avirah; Kuthanapillil Jyothish; Cherumuttathu H. Suresh; Eringathodi; Suresh; Danaboyina Ramaiah","Novel semisquaraine regioisomers: isolation, divergent chemical reactivity and photophysical properties","Chem.Commun.","2011","47","","12822","","10.1039/c1cc15261k","","","0.71073","MoKα","","0.1192","0.1044","","","0.2244","0.2325","","","","","","1.183","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107100","6.3969","0.0014","5.7315","0.0011","17.007","0.003","90","","94.706","0.006","90","","621.4","0.2","173.1","","173.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 -","- C16 H14 N4 -","- C32 H28 N8 -","2","0.5","","Mingwen Zhu; Ken-ichi Fujita; Ryohei Yamaguchi","Efficient synthesis of biazoles by aerobic oxidative homocoupling of azoles catalyzed by a copper(I)/2-pyridonate catalytic system","Chem.Commun.","2011","47","","12876","","10.1039/c1cc15363c","","","0.71075","MoKα","","","0.065","","","","0.0905","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107101","10.9711","0.0012","11.6456","0.0013","15.674","0.0017","92.749","0.005","109.576","0.005","101.608","0.005","1833.7","0.4","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H29 F3 N6 O9 Re S -","- C34 H29 F3 N6 O9 Re S -","- C68 H58 F6 N12 O18 Re2 S2 -","2","1","","Tanushree Ganguly; Benjamin B. Kasten; Dejan-Kresimir Bucar; Leonard R. MacGillivray; Clifford E. Berkman; Paul D. Benny","The hydrazide/hydrazone click reaction as a biomolecule labeling strategy for M(CO)3 (M = Re, 99mTc) radiopharmaceuticals","Chem.Commun.","2011","47","","12846","","10.1039/c1cc15451f","","","0.71073","MoKα","","0.0242","0.023","","","0.0572","0.0578","","","","","","1.046","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107102","13.476","0.003","13.476","0.003","14.118","0.004","90","","90","","90","","2563.9","1.1","125","2","125","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C15 H44 Br P5 W -","- C15 H44 Br P5 W -","- C60 H176 Br4 P20 W4 -","4","0.5","","Aaron Sattler; Gerard Parkin","Formation of a cationic alkylidene complex via formal hydride abstraction: synthesis and structural characterization of [W(PMe3)4(n\2-CHPMe2)H]X (X = Br, I)","Chem.Commun.","2011","47","","12828","","10.1039/c1cc15457e","","","0.71073","MoKα","","0.0261","0.0188","","","0.041","0.0433","","","","","","1.042","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107103","13.598","0.003","13.598","0.003","14.392","0.003","90","","90","","90","","2661.2","1","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C15 H44 I P5 W -","- C15 H44 I P5 W -","- C60 H176 I4 P20 W4 -","4","0.5","","Aaron Sattler; Gerard Parkin","Formation of a cationic alkylidene complex via formal hydride abstraction: synthesis and structural characterization of [W(PMe3)4(n\2-CHPMe2)H]X (X = Br, I)","Chem.Commun.","2011","47","","12828","","10.1039/c1cc15457e","","","0.71073","MoKα","","0.0295","0.022","","","0.0469","0.0497","","","","","","1.054","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107104","14.8321","0.0004","9.4806","0.0003","18.0198","0.0005","90","","106.687","0.001","90","","2427.19","0.12","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H45 P5 W -","- C15 H45 P5 W -","- C60 H180 P20 W4 -","4","1","","Aaron Sattler; Gerard Parkin","Formation of a cationic alkylidene complex via formal hydride abstraction: synthesis and structural characterization of [W(PMe3)4(n\2-CHPMe2)H]X (X = Br, I)","Chem.Commun.","2011","47","","12828","","10.1039/c1cc15457e","","","0.71073","MoKα","","0.0259","0.0208","","","0.0461","0.0478","","","","","","1.011","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107105","9.0426","0.0005","15.0498","0.0009","19.5924","0.0011","90","","90","","90","","2666.3","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 I2 N3 O Pd -","- C27 H21 I2 N3 O Pd -","- C108 H84 I8 N12 O4 Pd4 -","4","1","","Feijun Wang; Shengke Li; Mingliang Qu; Mei-Xin Zhao; Lian-Jun Liu; Min Shi","A Highly Efficient Kinetic Resolution of Morita-Baylis-Hillman Adducts Achieved by N-Ar Axially Chiral Pd-Complexes Catalyzed Asymmetric Allylation","Chem.Commun.","2011","47","","12813","","10.1039/c1cc15543a","","","0.71073","MoKα","","0.0645","0.0496","","","0.1067","0.1171","","","","","","1.242","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107106","11.1242","0.0005","6.2039","0.0003","13.0579","0.0006","90","","111.522","0.001","90","","838.34","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Cl N O3 -","- C19 H16 Cl N O3 -","- C38 H32 Cl2 N2 O6 -","2","1","","Feijun Wang; Shengke Li; Mingliang Qu; Mei-Xin Zhao; Lian-Jun Liu; Min Shi","A Highly Efficient Kinetic Resolution of Morita-Baylis-Hillman Adducts Achieved by N-Ar Axially Chiral Pd-Complexes Catalyzed Asymmetric Allylation","Chem.Commun.","2011","47","","12813","","10.1039/c1cc15543a","","","0.71073","MoKα","","0.0394","0.0337","","","0.0818","0.0855","","","","","","1.028","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107107","9.3082","0.0016","9.6832","0.0016","18.648","0.003","93.263","0.002","93.496","0.002","118.181","0.002","1471.8","0.4","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H53 N2 P Pd -","- C29 H53 N2 P Pd -","- C58 H106 N4 P2 Pd2 -","2","1","","Jurgen Bauer; Holger Braunschweig; Alexander Damme; Katrin Gruss; Krzysztof Radacki","Extending unsupported metal-only Lewis pairs to palladium","Chem.Commun.","2011","47","","12783","","10.1039/c1cc15561j","","","0.71073","MoKα","","0.0339","0.0293","","","0.0784","0.0854","","","","","","1.066","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107108","9.3917","0.001","21.367","0.002","17.9926","0.0019","90","","92.027","0.006","90","","3608.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Al Cl3 N2 P Pd -","- C32 H56 Al Cl3 N2 P Pd -","- C128 H224 Al4 Cl12 N8 P4 Pd4 -","4","1","","Jurgen Bauer; Holger Braunschweig; Alexander Damme; Katrin Gruss; Krzysztof Radacki","Extending unsupported metal-only Lewis pairs to palladium","Chem.Commun.","2011","47","","12783","","10.1039/c1cc15561j","","","0.71073","MoKα","","0.0334","0.0255","","","0.0618","0.066","","","","","","1.04","","","","has coordinates,has disorder","180175","2020-10-21","18:00:00",""
"7107109","8.0492","0.0006","19.9116","0.0011","7.3009","0.0005","90","","107.729","0.008","90","","1114.56","0.14","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Dan-Dan Li; Ting-Ting Yuan; Guan-Wu Wang","Synthesis of isoindolinones via palladium-catalyzed C-H activation of N-methoxybenzamides","Chem.Commun.","2011","47","","12789","","10.1039/c1cc15897j","","","1.54184","CuKα","","0.0464","0.038","","","0.0931","0.1052","","","","","","1.087","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107110","7.0214","0.0006","16.2366","0.0016","19.0401","0.0018","90","","90","","90","","2170.6","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 Br N O4 -","- C25 H16 Br N O4 -","- C100 H64 Br4 N4 O16 -","4","1","","Tian-Lin Liu; Hai Ma; Fa-Guang Zhang; Yan Zheng; Jing Nie; Jun-An Ma","Catalytic enantioselective addition of terminal 1,3-diynes to aromatic ketones: facile access to chiral nonracemic tertiary alcohols","Chem.Commun.","2011","47","","12873","","10.1039/c1cc15968b","","","0.71073","MoKα","","0.0612","0.0435","","","0.1104","0.1187","","","","","","1.012","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107117","18.429","0.005","18.778","0.002","23.173","0.003","111.366","0.002","108.417","0.002","93.655","0.002","6939","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H150 Cu12 N24 Nb20 O103 V8 -","- C144 H96 Cu12 N24 Nb20 O103 V8 -","- C144 H96 Cu12 N24 Nb20 O103 V8 -","1","0.5","","Peng Huang; Chao Qin; Xin-Long Wang; Chun-Yi Sun; Guang-Sheng Yang; Kui-Zhan Shao; Yan-Qing Jiao; Kun Zhou; Zhong-Min Su","An unprecedented organic-inorganic hybrid based on the first {Nb10V4O40(OH)2}^12-^ clusters and copper cations","Chem.Commun.","2011","48","","103","","10.1039/c1cc15684e","","","0.71073","MoKα","","0.1577","0.0933","","","0.2629","0.3204","","","","","","1.018","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7111873","18.718","0.002","8.0042","0.0012","33.333","0.005","90","","90","","90","","4994","1.2","300","2","300","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H18 Au Cl I3 O3 P -","- C21 H18 Au Cl I3 O3 P -","- C168 H144 Au8 Cl8 I24 O24 P8 -","8","1","","Madeleine Livendahl; Charles Goehry; Feliu Maseras; Antonio M. Echavarren","Rationale for the sluggish oxidative addition of aryl halides to Au(I)","Chem.Commun.","2011","50","","1533","","10.1039/c3cc48914k","","","0.71073","MoKα","","0.0491","0.034","","","0.0634","0.0726","","","","","","1.062","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111874","12.6165","0.0005","13.1976","0.0004","14.9182","0.0005","90","","90","","90","","2483.99","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Au Br3 Cl N P -","- C23 H21 Au Br3 Cl N P -","- C92 H84 Au4 Br12 Cl4 N4 P4 -","4","1","","Madeleine Livendahl; Charles Goehry; Feliu Maseras; Antonio M. Echavarren","Rationale for the sluggish oxidative addition of aryl halides to Au(I)","Chem.Commun.","2011","50","","1533","","10.1039/c3cc48914k","","","0.71073","MoKα","","0.0339","0.0326","","","0.0807","0.0814","","","","","","1.042","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7111875","11.0595","0.0005","12.7552","0.0006","16.4234","0.0008","90","","105.019","0.001","90","","2237.64","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Au Cl I3 O3 P -","- C18 H12 Au Cl I3 O3 P -","- C72 H48 Au4 Cl4 I12 O12 P4 -","4","1","","Madeleine Livendahl; Charles Goehry; Feliu Maseras; Antonio M. Echavarren","Rationale for the sluggish oxidative addition of aryl halides to Au(I)","Chem.Commun.","2011","50","","1533","","10.1039/c3cc48914k","","","0.71073","MoKα","","0.0307","0.0268","","","0.0859","0.0918","","","","","","0.761","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7111876","17.0229","0.0014","16.1927","0.0014","20.3819","0.0017","90","","106.408","0.003","90","","5389.4","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Au Br6 Cl9 P2 -","- C46 H44 Au Br6 Cl9 P2 -","- C184 H176 Au4 Br24 Cl36 P8 -","4","0.5","","Madeleine Livendahl; Charles Goehry; Feliu Maseras; Antonio M. Echavarren","Rationale for the sluggish oxidative addition of aryl halides to Au(I)","Chem.Commun.","2011","50","","1533","","10.1039/c3cc48914k","","","0.71073","MoKα","","0.0644","0.0466","","","0.1184","0.1288","","","","","","1.135","","","","has coordinates,has disorder","288243","2023-12-12","09:57:15",""
"7111877","8.4286","0.0009","16.0606","0.0018","13.9197","0.0016","90","","106.295","0.004","90","","1808.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Au Br Cl P -","- C19 H16 Au Br Cl P -","- C76 H64 Au4 Br4 Cl4 P4 -","4","1","","Madeleine Livendahl; Charles Goehry; Feliu Maseras; Antonio M. Echavarren","Rationale for the sluggish oxidative addition of aryl halides to Au(I)","Chem.Commun.","2011","50","","1533","","10.1039/c3cc48914k","","","0.71073","MoKα","","0.0525","0.0404","","","0.1082","0.1185","","","","","","1.052","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7112665","16.4737","0.001","7.4234","0.0005","28.4371","0.0016","90","","93.451","0.005","90","","3471.3","0.4","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N4 O2 P Ru -","- C44 H32 N4 O2 P Ru -","- C176 H128 N16 O8 P4 Ru4 -","4","0.5","","Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Yiu, Shek-Man; Lee, Gene-Hsiang; Peng, Shie-Ming; Gao, Song; Lau, Tai-Chu","Novel heterobimetallic ruthenium(III)-cobalt(II) compounds constructed from trans-[Ru(III)(Q)2(CN)2](-) (Q = 8-quinolinolato): synthesis, structures and magnetic properties.","Chemical communications (Cambridge, England)","2011","47","30","8694","8696","10.1039/c1cc12446c","","","0.7107","MoKα","","0.0731","0.0367","","","0.0699","0.0736","","","","","","0.948","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112666","8.8324","0.0002","12.7196","0.0004","27.7063","0.0008","90","","92.2018","0.0014","90","","3110.36","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Co N8 O16 Ru2 -","- C52 H72 Co N8 O16 Ru2 -","- C104 H144 Co2 N16 O32 Ru4 -","2","0.5","","Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Yiu, Shek-Man; Lee, Gene-Hsiang; Peng, Shie-Ming; Gao, Song; Lau, Tai-Chu","Novel heterobimetallic ruthenium(III)-cobalt(II) compounds constructed from trans-[Ru(III)(Q)2(CN)2](-) (Q = 8-quinolinolato): synthesis, structures and magnetic properties.","Chemical communications (Cambridge, England)","2011","47","30","8694","8696","10.1039/c1cc12446c","","","0.71073","MoKα","","0.1132","0.0957","","","0.2569","0.27","","","","","","1.239","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112667","14.4733","0.0003","10.41624","0.00018","17.826","0.0003","90","","93.0942","0.0015","90","","2683.48","0.09","133.15","","133.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl Co N6 O4 Ru -","- C26 H26 Cl Co N6 O4 Ru -","- C104 H104 Cl4 Co4 N24 O16 Ru4 -","4","0.5","","Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Yiu, Shek-Man; Lee, Gene-Hsiang; Peng, Shie-Ming; Gao, Song; Lau, Tai-Chu","Novel heterobimetallic ruthenium(III)-cobalt(II) compounds constructed from trans-[Ru(III)(Q)2(CN)2](-) (Q = 8-quinolinolato): synthesis, structures and magnetic properties.","Chemical communications (Cambridge, England)","2011","47","30","8694","8696","10.1039/c1cc12446c","","","1.5418","CuKα","","0.0387","0.0364","","","0.0944","0.096","","","","","","1.078","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112671","12.3004","0.0016","15.5434","0.0018","15.689","0.003","90","","115.318","0.01","90","","2711.5","0.7","122","1","122","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Tetraethylammonium (bis((N,N'-Bis(5- bromosalicylidene)ethylenediamine)(methanol)manganese(iii)) mu- (hexacyanidoruthenate(iii)))","Tetraethylammonium {bis[(N,N'-Bis(5-bromosalicylidene)ethylenediamine)(methanol)manganese(iii)] μ-[hexacyanidoruthenate(iii)]}","","- C48 H52 Br4 Mn2 N11 O6 Ru -","- C48 H52 Br4 Mn2 N11 O6 Ru -","- C96 H104 Br8 Mn4 N22 O12 Ru2 -","2","0.5","","Pedersen, Kasper S.; Dreiser, Jan; Nehrkorn, Joscha; Gysler, Maren; Schau-Magnussen, Magnus; Schnegg, Alexander; Holldack, Karsten; Bittl, Robert; Piligkos, Stergios; Weihe, Høgni; Tregenna-Piggott, Philip; Waldmann, Oliver; Bendix, Jesper","A linear single-molecule magnet based on [Ru(III)(CN)6]3-.","Chemical communications (Cambridge, England)","2011","47","24","6918","6920","10.1039/c1cc12158h","","","0.71073","MoKα","","0.0416","0.0277","","","0.0594","0.0662","","","","","","1.117","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112673","27.27","0.008","41.838","0.015","9.362","0.002","90","","90","","90","","10681","5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H32 Cr0.5 N4 P2 -","- C30 H32 Cr0.5 N4 P2 -","- C480 H512 Cr8 N64 P32 -","16","1","","Mock, Michael T.; Chen, Shentan; Rousseau, Roger; O'Hagan, Molly J; Dougherty, William G.; Kassel, W. Scott; DuBois, Daniel L.; Bullock, R. Morris","A rare terminal dinitrogen complex of chromium.","Chemical communications (Cambridge, England)","2011","47","44","12212","12214","10.1039/c1cc15430c","","","0.71073","MoKα","","0.0936","0.0516","","","0.0967","0.1113","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112674","11.801","0.003","19.066","0.005","15.474","0.004","90","","112.137","0.01","90","","3225","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl3 Cr N3 P2 -","- C32 H35 Cl3 Cr N3 P2 -","- C128 H140 Cl12 Cr4 N12 P8 -","4","1","","Mock, Michael T.; Chen, Shentan; Rousseau, Roger; O'Hagan, Molly J; Dougherty, William G.; Kassel, W. Scott; DuBois, Daniel L.; Bullock, R. Morris","A rare terminal dinitrogen complex of chromium.","Chemical communications (Cambridge, England)","2011","47","44","12212","12214","10.1039/c1cc15430c","","","0.71073","MoKα","","0.1973","0.0675","","","0.0782","0.0996","","","","","","1.015","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112675","27.3861","0.0014","41.872","0.002","9.2575","0.0005","90","","90","","90","","10615.7","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H32 Cr0.5 N2 O P2 -","- C31 H32 Cr0.5 N2 O P2 -","- C496 H512 Cr8 N32 O16 P32 -","16","1","","Mock, Michael T.; Chen, Shentan; Rousseau, Roger; O'Hagan, Molly J; Dougherty, William G.; Kassel, W. Scott; DuBois, Daniel L.; Bullock, R. Morris","A rare terminal dinitrogen complex of chromium.","Chemical communications (Cambridge, England)","2011","47","44","12212","12214","10.1039/c1cc15430c","","","0.71073","MoKα","","0.11","0.054","","","0.0833","0.0981","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112676","19.207","0.002","5.884","0.001","18.682","0.002","90","","95.628","0.008","90","","2101.1","0.5","291.1","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C96 H120 O12 -","4","1","","Fujioka, Hiromichi; Nakahara, Kenji; Hirose, Hideki; Hirano, Kie; Oki, Tomohiro; Kita, Yasuyuki","Intramolecular iodoetherification of ene or diene ketals: facile synthesis of spiroketals.","Chemical communications (Cambridge, England)","2011","47","3","1060","1062","10.1039/c0cc03933k","","","1.5419","CuKα","","","0.051","","","","0.136","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112677","11.5767","0.0011","11.6673","0.0011","14.65","0.0014","90","","95.112","0.002","90","","1970.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Mo N S2 -","- C22 H21 Mo N S2 -","- C88 H84 Mo4 N4 S8 -","4","1","","Tan, Ai Ling; Blake, Alexander J.; Davies, E. Stephen; Wilson, Claire; Garner, C. David","A radical pathway to synthesise Mo and W dithiolene complexes.","Chemical communications (Cambridge, England)","2011","47","3","953","954","10.1039/c0cc03756g","","","0.71073","MoKα","","0.0573","0.0401","","","0.091","0.1032","","","","","","1.045","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112678","11.6111","0.0009","11.7045","0.0009","14.583","0.0012","90","","95.084","0.001","90","","1974.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N S2 W -","- C22 H21 N S2 W -","- C88 H84 N4 S8 W4 -","4","1","","Tan, Ai Ling; Blake, Alexander J.; Davies, E. Stephen; Wilson, Claire; Garner, C. David","A radical pathway to synthesise Mo and W dithiolene complexes.","Chemical communications (Cambridge, England)","2011","47","3","953","954","10.1039/c0cc03756g","","","0.71073","MoKα","","0.0258","0.0205","","","0.0462","0.0487","","","","","","1.04","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112679","11.509","0.005","15.496","0.007","12.056","0.005","90","","90","","90","","2150.1","1.6","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C25 H25 Mo N S2 -","- C25 H25 Mo N S2 -","- C100 H100 Mo4 N4 S8 -","4","0.5","","Tan, Ai Ling; Blake, Alexander J.; Davies, E. Stephen; Wilson, Claire; Garner, C. David","A radical pathway to synthesise Mo and W dithiolene complexes.","Chemical communications (Cambridge, England)","2011","47","3","953","954","10.1039/c0cc03756g","","","0.71073","MoKα","","0.0457","0.0403","","","0.0945","0.1","","","","","","1.02","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112680","11.1407","0.0006","11.3624","0.0006","11.4867","0.0006","107.322","0.003","94.603","0.002","117.977","0.002","1183.44","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 B2 F20 O -","- C24 B2 F20 O -","- C48 B4 F40 O2 -","2","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Bis-boranes in the frustrated Lewis pair activation of carbon dioxide.","Chemical communications (Cambridge, England)","2011","47","6","1833","1835","10.1039/c0cc04791k","","","0.71073","MoKα","","0.0402","0.0328","","","0.0824","0.088","","","","","","1.028","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112681","14.5904","0.0011","17.06","0.0015","16.9806","0.0013","90","","111.554","0.004","90","","3931.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 B2 F20 O3 P -","- C37 H27 B2 F20 O3 P -","- C148 H108 B8 F80 O12 P4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Bis-boranes in the frustrated Lewis pair activation of carbon dioxide.","Chemical communications (Cambridge, England)","2011","47","6","1833","1835","10.1039/c0cc04791k","","","0.71073","MoKα","","0.1043","0.052","","","0.126","0.1506","","","","","","1.029","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112682","11.9094","0.0006","17.2458","0.0008","22.759","0.0011","90","","90","","90","","4674.4","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H33 B2 Cl4 O2 P -","- C17 H33 B2 Cl4 O2 P -","- C136 H264 B16 Cl32 O16 P8 -","8","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Bis-boranes in the frustrated Lewis pair activation of carbon dioxide.","Chemical communications (Cambridge, England)","2011","47","6","1833","1835","10.1039/c0cc04791k","","","0.71073","MoKα","","0.0788","0.043","","","0.0944","0.1078","","","","","","1.043","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112683","11.3566","0.0004","11.5364","0.0005","33.8526","0.0013","86.446","0.002","83.838","0.002","80.78","0.002","4348","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H34 B2 Cl F20 O2 P -","- C41.5 H34 B2 Cl F20 O2 P -","- C166 H136 B8 Cl4 F80 O8 P4 -","4","2","","Zhao, Xiaoxi; Stephan, Douglas W.","Bis-boranes in the frustrated Lewis pair activation of carbon dioxide.","Chemical communications (Cambridge, England)","2011","47","6","1833","1835","10.1039/c0cc04791k","","","0.71073","MoKα","","0.1421","0.0687","","","0.1637","0.1984","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112685","9.746","0.003","13.298","0.004","15.127","0.005","90","","106.377","0.005","90","","1881","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cl N O2 -","- C22 H26 Cl N O2 -","- C88 H104 Cl4 N4 O8 -","4","2","","Bhat, Vikram; Rawal, Viresh H.","Stereocontrolled synthesis of 20,21-dihydro N-methylwelwitindolinone B isothiocyanate.","Chemical communications (Cambridge, England)","2011","47","34","9705","9707","10.1039/c1cc13498a","","","0.71073","MoKα","","0.1319","0.0771","","","0.1571","0.1771","","","","","","0.925","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112686","8.941","0.004","9.465","0.004","22.998","0.008","90","","110.502","0.014","90","","1823","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N O2 -","- C22 H24 Cl N O2 -","- C88 H96 Cl4 N4 O8 -","4","1","","Bhat, Vikram; Rawal, Viresh H.","Stereocontrolled synthesis of 20,21-dihydro N-methylwelwitindolinone B isothiocyanate.","Chemical communications (Cambridge, England)","2011","47","34","9705","9707","10.1039/c1cc13498a","","","0.71073","MoKα","","0.0651","0.0627","","","0.1734","0.176","","","","","","1.093","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112687","9.579","0.005","10.734","0.005","16.874","0.008","84.784","0.009","89.891","0.009","75.579","0.008","1673","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","2","","Bhat, Vikram; Rawal, Viresh H.","Stereocontrolled synthesis of 20,21-dihydro N-methylwelwitindolinone B isothiocyanate.","Chemical communications (Cambridge, England)","2011","47","34","9705","9707","10.1039/c1cc13498a","","","0.71073","MoKα","","0.1194","0.0938","","","0.232","0.2498","","","","","","0.992","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112688","9.369","0.005","16.869","0.009","9.901","0.007","90","","102.76","0.02","90","","1526.2","1.6","123.1","","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C72 H64 Cl4 N4 O8 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Guiding the nitrogen nucleophile to the middle: palladium-catalyzed decarboxylative cyclopropanation of 2-alkylidenetrimethylene carbonates with isocyanates","Chemical Communications (Cambridge, United Kingdom)","2011","47","11","3057","3059","10.1039/c0cc05308b","","","0.71075","MoKα","","","0.0691","","","","0.0871","","","","","","0.886","","","","has coordinates","275226","2022-05-08","22:34:46",""
"7112690","11.6855","0.0003","12.0398","0.0003","16.0851","0.0005","78.46","0.002","74.957","0.002","70.046","0.002","2038.73","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H128 B2 N4 S4 -","- C88 H128 B2 N4 S4 -","- C88 H128 B2 N4 S4 -","1","0.5","","Li, Haiyan; Lalancette, Roger A.; Jäkle, Frieder","Turn-on fluorescence response upon anion binding to dimesitylboryl-functionalized quaterthiophene.","Chemical communications (Cambridge, England)","2011","47","33","9378","9380","10.1039/c1cc13287c","","","1.54178","CuKα","","0.053","0.044","","","0.111","0.118","","","","","","1.05","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112691","10.7612","0.0001","11.4101","0.0002","21.9383","0.0003","89.5585","0.0009","88.1985","0.0008","63.2907","0.0007","2405.05","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H136 B2 F2 K2 O16 S4 -","- C94 H136 B2 F2 K2 O16 S4 -","- C94 H136 B2 F2 K2 O16 S4 -","1","0.5","","Li, Haiyan; Lalancette, Roger A.; Jäkle, Frieder","Turn-on fluorescence response upon anion binding to dimesitylboryl-functionalized quaterthiophene.","Chemical communications (Cambridge, England)","2011","47","33","9378","9380","10.1039/c1cc13287c","","","1.54178","CuKα","","0.054","0.043","","","0.106","0.113","","","","","","1.02","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112692","10.9421","0.0007","12.5593","0.0008","15.6644","0.001","80.834","0.004","72.866","0.003","84.931","0.003","2028.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H31 Cl F4 Ir N11 O3 -","- C44.5 H31 Cl F4 Ir N11 O3 -","- C89 H62 Cl2 F8 Ir2 N22 O6 -","2","1","","Sykes, Daniel; Ward, Michael D.","Visible-light sensitisation of Tb(III) luminescence using a blue-emitting Ir(III) complex as energy-donor.","Chemical communications (Cambridge, England)","2011","47","8","2279","2281","10.1039/c0cc04562d","","","0.71073","MoKα","","0.05","0.0371","","","0.0807","0.0857","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112693","19.1604","0.0007","12.245","0.0004","23.0661","0.0009","90","","113.843","0.002","90","","4949.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H39 Cl3 F4 Ir N9 O4 -","- C53 H37 Cl3 F4 Ir N9 O4 -","- C212 H148 Cl12 F16 Ir4 N36 O16 -","4","1","","Sykes, Daniel; Ward, Michael D.","Visible-light sensitisation of Tb(III) luminescence using a blue-emitting Ir(III) complex as energy-donor.","Chemical communications (Cambridge, England)","2011","47","8","2279","2281","10.1039/c0cc04562d","","","0.71073","MoKα","","0.0962","0.0458","","","0.1127","0.148","","","","","","0.861","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112696","8.914","0.0004","9.206","0.0005","13.163","0.0005","78.806","0.003","78.18","0.003","73.549","0.0019","1003.28","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C46 H50 N2 O6 S2 -","2","1","","Kern, Nicolas; Blanc, Aurélien; Weibel, Jean-Marc; Pale, Patrick","Gold(I)-catalyzed rearrangement of aryl alkynylaziridines to spiro[isochroman-4,2'-pyrrolines].","Chemical communications (Cambridge, England)","2011","47","23","6665","6667","10.1039/c1cc11351h","","","0.71073","MoKα","","0.081","0.0509","","","0.144","0.1801","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112697","12.3933","0.0006","13.4814","0.0006","14.5801","0.0007","93.651","0.002","114.647","0.002","114.067","0.002","1939.77","0.17","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C69 H112 Fe Li2 O2 Si8 -","- C69 H112 Fe Li2 O2 Si8 -","- C69 H112 Fe Li2 O2 Si8 -","1","1","","Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.","Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.","Chemical communications (Cambridge, England)","2011","47","42","11680","11682","10.1039/c1cc14758g","","","0.71073","MoKα","","0.0451","0.0449","","","0.1217","0.1219","","","","","","1.094","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112698","15.2016","0.0008","12.4057","0.0006","20.766","0.001","90","","94.668","0.001","90","","3903.2","0.3","90","2","90","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C69 H114 Li2 Mn O2 Si8 -","- C69 H114 Li2 Mn O2 Si8 -","- C138 H228 Li4 Mn2 O4 Si16 -","2","0.5","","Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.","Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.","Chemical communications (Cambridge, England)","2011","47","42","11680","11682","10.1039/c1cc14758g","","","0.71073","MoKα","","0.0323","0.031","","","0.0867","0.0883","","","","","","1.044","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112699","14.7882","0.0003","14.7882","0.0003","38.0825","0.0009","90","","90","","90","","8328.3","0.3","90","2","90","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C72 H116 Li O4 Si8 V -","- C72 H116 Li O4 Si8 V -","- C288 H464 Li4 O16 Si32 V4 -","4","0.5","","Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.","Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.","Chemical communications (Cambridge, England)","2011","47","42","11680","11682","10.1039/c1cc14758g","","","1.54178","CuKα","","0.0415","0.0374","","","0.0973","0.1007","","","","","","1.048","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112700","15.724","0.002","15.777","0.002","16.522","0.002","77.023","0.007","70.848","0.006","61.863","0.005","3402.3","0.8","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C76 H44 Cl6 Fe2 N12 O9 -","- C76 H44 Cl6 Fe2 N12 O9 -","- C152 H88 Cl12 Fe4 N24 O18 -","2","1","","Stefanelli, Manuela; Nardis, Sara; Tortora, Luca; Fronczek, Frank R.; Smith, Kevin M.; Licoccia, Silvia; Paolesse, Roberto","Nitration of iron corrolates: further evidence for non-innocence of the corrole ligand.","Chemical communications (Cambridge, England)","2011","47","14","4255","4257","10.1039/c0cc05491g","","","0.71073","MoKα","","0.1074","0.0633","","","0.1579","0.1784","","","","","","1.056","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112701","56.69","0.005","7.655","0.0008","13.1551","0.0012","90","","92.736","0.001","90","","5702.3","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H12 F10 N4 O2 Zn -","- C32 H12 F10 N4 O2 Zn -","- C256 H96 F80 N32 O16 Zn8 -","8","1","","Ding, Yubin; Xie, Yongshu; Li, Xin; Hill, Jonathan P.; Zhang, Weibing; Zhu, Weihong","Selective and sensitive ""turn-on"" fluorescent Zn2+ sensors based on di- and tripyrrins with readily modulated emission wavelengths.","Chemical communications (Cambridge, England)","2011","47","19","5431","5433","10.1039/c1cc11493j","","","0.71073","MoKα","","0.1155","0.0729","","","0.157","0.177","","","","","","1.081","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112702","28.864","0.002","10.206","0.001","14.8521","0.0013","90","","115.894","0.002","90","","3936","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H24 F10 N4 O3 Zn -","- C45 H24 F10 N4 O3 Zn -","- C180 H96 F40 N16 O12 Zn4 -","4","0.5","","Ding, Yubin; Xie, Yongshu; Li, Xin; Hill, Jonathan P.; Zhang, Weibing; Zhu, Weihong","Selective and sensitive ""turn-on"" fluorescent Zn2+ sensors based on di- and tripyrrins with readily modulated emission wavelengths.","Chemical communications (Cambridge, England)","2011","47","19","5431","5433","10.1039/c1cc11493j","","","0.71073","MoKα","","0.1049","0.0516","","","0.084","0.0946","","","","","","1.009","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112703","7.507","0.0008","16.0921","0.0017","49.02","0.004","90","","90","","90","","5921.8","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H19 F10 N3 O5 Zn -","- C28 H19 F10 N3 O5 Zn -","- C224 H152 F80 N24 O40 Zn8 -","8","2","","Ding, Yubin; Xie, Yongshu; Li, Xin; Hill, Jonathan P.; Zhang, Weibing; Zhu, Weihong","Selective and sensitive ""turn-on"" fluorescent Zn2+ sensors based on di- and tripyrrins with readily modulated emission wavelengths.","Chemical communications (Cambridge, England)","2011","47","19","5431","5433","10.1039/c1cc11493j","","","0.71073","MoKα","","0.1783","0.1298","","","0.3127","0.3381","","","","","","1.047","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112704","5.901","0.0004","8.991","0.0007","10.139","0.0008","82.408","0.002","81.742","0.002","82.153","0.002","523.89","0.07","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H7 Cl N4 O -","- C11 H7 Cl N4 O -","- C22 H14 Cl2 N8 O2 -","2","1","","Sucunza, David; Samadi, Abdelouahid; Chioua, Mourad; Silva, Daniel B.; Yunta, Cristina; Infantes, Lourdes; Carmo Carreiras, M.; Soriano, Elena; Marco-Contelles, José","A practical two-step synthesis of imidazo[1,2-a]pyridines from N-(prop-2-yn-1-yl)pyridin-2-amines.","Chemical communications (Cambridge, England)","2011","47","17","5043","5045","10.1039/c1cc10641d","","","1.54178","CuKα","","0.0477","0.0458","","","0.1284","0.1308","","","","","","0.734","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112705","13.5792","0.0004","13.8958","0.0004","20.7478","0.0006","90","","104.882","0.0013","90","","3783.66","0.19","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PCM-11","","","- C45 H33 Mg4 N O21 P2 -","- C45 H33 Mg4 N O21 P2 -","- C90 H66 Mg8 N2 O42 P4 -","2","0.5","","Bohnsack, Alisha M.; Ibarra, Ilich A.; Hatfield, Peter W.; Yoon, Ji Woong; Hwang, Young Kyu; Chang, Jong-San; Humphrey, Simon M.","High capacity CO2 adsorption in a Mg(II)-based phosphine oxide coordination material.","Chemical communications (Cambridge, England)","2011","47","17","4899","4901","10.1039/c1cc10754b","","","0.71073","MoKα","","0.1098","0.0783","","","0.216","0.2384","","","","","","1.021","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112709","9.0303","0.0002","13.7496","0.0003","25.4242","0.0006","90","","90","","90","","3156.75","0.12","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R-Ru)-(p-cymene)-[kappa '2-(N,N)-{(1R,2R)-N-tosyl-1,2-diphenyl- ethylenediamine}]ruthenium methylsulfonamidate","","- C32 H39 N3 O4 Ru S2 -","- C32 H39 N3 O4 Ru S2 -","- C128 H156 N12 O16 Ru4 S8 -","4","1","","Muñiz, Kilian; Lishchynskyi, Anton; Streuff, Jan; Nieger, Martin; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez","Metal-ligand bifunctional activation and transfer of N-H bonds.","Chemical communications (Cambridge, England)","2011","47","17","4911","4913","10.1039/c1cc10999e","","","0.71073","MoKα","","0.0422","0.0322","","","0.0666","0.0689","","","","","","0.975","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112710","9.0451","0.0001","13.964","0.0001","25.3405","0.0003","90","","90","","90","","3200.65","0.06","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S-Ru)-(p-cymene)-[kappa '2-(N,N)-{(1R,2R)-N-tosyl-1,2-diphenyl- ethylenediamine}]ruthenium trifluoromethylsulfonamidate","","- C32 H36 F3 N3 O4 Ru S2 -","- C32 H36 F3 N3 O4 Ru S2 -","- C128 H144 F12 N12 O16 Ru4 S8 -","4","1","","Muñiz, Kilian; Lishchynskyi, Anton; Streuff, Jan; Nieger, Martin; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez","Metal-ligand bifunctional activation and transfer of N-H bonds.","Chemical communications (Cambridge, England)","2011","47","17","4911","4913","10.1039/c1cc10999e","","","0.71073","MoKα","","0.033","0.0299","","","0.0645","0.0656","","","","","","1.039","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112711","12.477","0.0001","17.695","0.0002","12.672","0.0001","90","","112.757","0.0002","90","","2579.94","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C116 H112 N8 O12 S4 -","4","2","","Muñiz, Kilian; Lishchynskyi, Anton; Streuff, Jan; Nieger, Martin; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez","Metal-ligand bifunctional activation and transfer of N-H bonds.","Chemical communications (Cambridge, England)","2011","47","17","4911","4913","10.1039/c1cc10999e","","","0.71073","MoKα","","0.0572","0.0458","","","0.1105","0.1181","","","","","","1.048","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112712","10.8867","0.001","25.958","0.002","22.332","0.002","90","","90","","90","","6311","0.9","193.1","","193.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H42 Mn N4 O8 -","- C31 H42 Mn N4 O8 -","- C248 H336 Mn8 N32 O64 -","8","1","","Sunatsuki, Yukinari; Kishima, Yukana; Kobayashi, Tamami; Yamaguchi, Tomoka; Suzuki, Takayoshi; Kojima, Masaaki; Krzystek, J.; Sundberg, Markku R.","A single tripodal ligand stabilizing three different oxidation states (II, III, and IV) of manganese.","Chemical communications (Cambridge, England)","2011","47","32","9149","9151","10.1039/c1cc12418h","","","0.71075","MoKα","","","0.0569","","","","0.1756","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112713","10.665","0.0008","15.9645","0.0011","15.6061","0.0009","90","","92.637","0.002","90","","2654.3","0.3","193.1","","193.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Mn N3 O6 -","- C29 H30 Mn N3 O6 -","- C116 H120 Mn4 N12 O24 -","4","1","","Sunatsuki, Yukinari; Kishima, Yukana; Kobayashi, Tamami; Yamaguchi, Tomoka; Suzuki, Takayoshi; Kojima, Masaaki; Krzystek, J.; Sundberg, Markku R.","A single tripodal ligand stabilizing three different oxidation states (II, III, and IV) of manganese.","Chemical communications (Cambridge, England)","2011","47","32","9149","9151","10.1039/c1cc12418h","","","0.71075","MoKα","","","0.0375","","","","0.0914","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112714","13.8339","0.0008","15.379","0.0013","14.424","0.001","90","","109.224","0.0019","90","","2897.6","0.4","200.1","","200.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl Mn N3 O10 -","- C29 H30 Cl Mn N3 O10 -","- C116 H120 Cl4 Mn4 N12 O40 -","4","1","","Sunatsuki, Yukinari; Kishima, Yukana; Kobayashi, Tamami; Yamaguchi, Tomoka; Suzuki, Takayoshi; Kojima, Masaaki; Krzystek, J.; Sundberg, Markku R.","A single tripodal ligand stabilizing three different oxidation states (II, III, and IV) of manganese.","Chemical communications (Cambridge, England)","2011","47","32","9149","9151","10.1039/c1cc12418h","","","0.71075","MoKα","","","0.0336","","","","0.0878","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112715","13.7229","0.001","15.9755","0.0011","14.5327","0.001","90","","108.966","0.002","90","","3013","0.4","193.1","","193.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 F6 Mn N3 O6 P -","- C29 H30 F6 Mn N3 O6 P -","- C116 H120 F24 Mn4 N12 O24 P4 -","4","1","","Sunatsuki, Yukinari; Kishima, Yukana; Kobayashi, Tamami; Yamaguchi, Tomoka; Suzuki, Takayoshi; Kojima, Masaaki; Krzystek, J.; Sundberg, Markku R.","A single tripodal ligand stabilizing three different oxidation states (II, III, and IV) of manganese.","Chemical communications (Cambridge, England)","2011","47","32","9149","9151","10.1039/c1cc12418h","","","0.71075","MoKα","","","0.045","","","","0.1323","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112716","13.0303","0.0011","15.888","0.0012","15.6809","0.0012","90","","92.234","0.003","90","","3243.9","0.4","193.1","","193.1","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 F6 K Mn N3 O6 P -","- C29 H30 F6 K Mn N3 O6 P -","- C116 H120 F24 K4 Mn4 N12 O24 P4 -","4","1","","Sunatsuki, Yukinari; Kishima, Yukana; Kobayashi, Tamami; Yamaguchi, Tomoka; Suzuki, Takayoshi; Kojima, Masaaki; Krzystek, J.; Sundberg, Markku R.","A single tripodal ligand stabilizing three different oxidation states (II, III, and IV) of manganese.","Chemical communications (Cambridge, England)","2011","47","32","9149","9151","10.1039/c1cc12418h","","","0.71075","MoKα","","","0.0622","","","","0.1808","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112717","11.4584","0.0003","15.926","0.0008","16.0765","0.0004","90","","94.5337","0.0008","90","","2924.56","0.18","180.1","","180.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 K Mn N4 O9 -","- C29 H30 K Mn N4 O9 -","- C116 H120 K4 Mn4 N16 O36 -","4","1","","Sunatsuki, Yukinari; Kishima, Yukana; Kobayashi, Tamami; Yamaguchi, Tomoka; Suzuki, Takayoshi; Kojima, Masaaki; Krzystek, J.; Sundberg, Markku R.","A single tripodal ligand stabilizing three different oxidation states (II, III, and IV) of manganese.","Chemical communications (Cambridge, England)","2011","47","32","9149","9151","10.1039/c1cc12418h","","","0.71075","MoKα","","","0.038","","","","0.1069","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112718","10.5616","0.0006","9.5453","0.0006","13.5147","0.0007","90","","110.173","0.002","90","","1278.89","0.13","298.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H26 N2 -","- C34 H26 N2 -","- C68 H52 N4 -","2","1","","Yamada, Shinji; Nojiri, Yuka","Water-assisted assembly of (E)-arylvinylpyridine hydrochlorides: effective substrates for solid-state [2+2] photodimerization.","Chemical communications (Cambridge, England)","2011","47","32","9143","9145","10.1039/c1cc12572a","","","1.54187","CuKα","","","0.0761","","","","0.2912","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112719","22.5434","0.0004","8.91677","0.0001","49.7495","0.001","90","","90","","90","","10000.4","0.3","298.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H26 N2 -","- C45.3333 H34.6667 N2.66667 -","- C544 H416 N32 -","12","1.5","","Yamada, Shinji; Nojiri, Yuka","Water-assisted assembly of (E)-arylvinylpyridine hydrochlorides: effective substrates for solid-state [2+2] photodimerization.","Chemical communications (Cambridge, England)","2011","47","32","9143","9145","10.1039/c1cc12572a","","","1.54187","CuKα","","","0.0648","","","","0.2166","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112720","7.0419","0.0007","11.0864","0.0011","12.0768","0.0012","64.825","0.003","81.258","0.003","81.852","0.003","840.22","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cl N O3 -","- C17 H14 Cl N O3 -","- C34 H28 Cl2 N2 O6 -","2","1","","Yamada, Shinji; Nojiri, Yuka","Water-assisted assembly of (E)-arylvinylpyridine hydrochlorides: effective substrates for solid-state [2+2] photodimerization.","Chemical communications (Cambridge, England)","2011","47","32","9143","9145","10.1039/c1cc12572a","","","1.54187","CuKα","","","0.0944","","","","0.2563","","","","","","0.725","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112721","18.9236","0.0016","10.8634","0.0007","11.9925","0.001","90","","127.54","0.002","90","","1954.8","0.3","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 Cl2 N2 O Pt -","- C5 H12 Cl2 N2 O Pt -","- C40 H96 Cl16 N16 O8 Pt8 -","8","1","","Yadav, Paras N.; Beveridge, Ramsay E.; Blay, Jonathan; Boyd, Alaina R.; Chojnacka, Maja W.; Decken, Andreas; Deshpande, Ankur A.; Gardiner, Michael G.; Hambley, Trevor W.; Hughes, Michael J.; Jolly, Leslie; Lavangie, Jacquelyn A.; MacInnis, Timothy D.; McFarland, Sherri A.; New, Elizabeth J.; Gossage, Robert A.","Platinum-oxazoline complexes as anti-cancer agents: syntheses, characterisation and initial biological studies","MedChemComm","2011","2","4","274","","10.1039/c0md00211a","","x-ray","0.71073","MoKα","","0.0484","0.0376","","","0.1017","0.1109","","","","","","1.024","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112722","6.525","0.002","11.816","0.003","17.129","0.004","90","","99.99","0.04","90","","1300.6","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl2 N2 O Pt -","- C11 H14 Cl2 N2 O Pt -","- C44 H56 Cl8 N8 O4 Pt4 -","4","1","","Yadav, Paras N.; Beveridge, Ramsay E.; Blay, Jonathan; Boyd, Alaina R.; Chojnacka, Maja W.; Decken, Andreas; Deshpande, Ankur A.; Gardiner, Michael G.; Hambley, Trevor W.; Hughes, Michael J.; Jolly, Leslie; Lavangie, Jacquelyn A.; MacInnis, Timothy D.; McFarland, Sherri A.; New, Elizabeth J.; Gossage, Robert A.","Platinum-oxazoline complexes as anti-cancer agents: syntheses, characterisation and initial biological studies","MedChemComm","2011","2","4","274","","10.1039/c0md00211a","","","0.71073","MoKα","","0.0572","0.0454","","","0.1245","0.1335","","","","","","1.081","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112723","10.002","0.002","10.64","0.003","12.1261","0.0018","78.2","0.03","67.7","0.02","87.07","0.03","1168.2","0.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N2 O2 S -","- C29 H24 N2 O2 S -","- C58 H48 N4 O4 S2 -","2","1","","Medda, Federico; Joseph, Thomas L.; Pirrie, Lisa; Higgins, Maureen; Slawin, Alexandra M. Z.; Lain, Sonia; Verma, Chandra; Westwood, Nicholas J.","N1-Benzyl substituted cambinol analogues as isozyme selective inhibitors of the sirtuin family of protein deacetylases","MedChemComm","2011","2","7","611","","10.1039/c1md00023c","","","0.71073","MoKα","","0.0544","0.0425","","","0.0997","0.1082","","","","","","0.951","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112724","9.676","0.005","14.4","0.005","14.309","0.005","90","0.005","91.333","0.005","90","0.005","1993.2","1.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan","Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition","MedChemComm","2011","2","7","626","","10.1039/c0md00239a","","","0.71073","MoKα","","0.082","0.0492","","","0.1258","0.1421","","","","","","1.018","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112725","17.888","0.004","11.26","0.003","21.426","0.002","90","","108.65","0.04","90","","4089","1.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C192 H168 N24 O32 -","8","1","","Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan","Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition","MedChemComm","2011","2","7","626","","10.1039/c0md00239a","","","0.71073","MoKα","","0.1943","0.077","","","0.1877","0.2173","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112726","7.681","0.004","11.655","0.005","12.824","0.003","64.68","0.03","76.11","0.04","71.43","0.03","976.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C46 H38 N6 O6 -","2","1","","Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan","Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition","MedChemComm","2011","2","7","626","","10.1039/c0md00239a","","","0.71073","MoKα","","0.1242","0.1054","","","0.4769","0.4954","","","","","","1.265","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112727","9.917","0.005","14.232","0.007","14.838","0.007","90","","94.095","0.011","90","","2088.9","1.8","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C18 H14 F6 N2 O4 S2 -","- C18 H14 F6 N2 O4 S2 -","- C72 H56 F24 N8 O16 S8 -","4","2","","Nakhi, Ali; Prasad, Bagineni; Reddy, Uppender; Rao, Raja Mohan; Sandra, Sandhya; Kapavarapu, Ravikumar; Rambabu, D.; Rama Krishna, G.; Reddy, C. Malla; Ravada, Kishore; Misra, Parimal; Iqbal, Javed; Pal, Manojit","A new route to indoles via in situ desilylation‒Sonogashira strategy: identification of novel small molecules as potential anti-tuberculosis agents","MedChemComm","2011","2","10","1006","","10.1039/c1md00148e","","","0.71073","MoKα","","0.1284","0.0918","","","0.2359","0.272","","","","","","1.357","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112728","8.2712","0.0004","12.0103","0.0006","13.3107","0.0006","98.59","0.004","91.371","0.004","108.406","0.004","1237","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O5 S2 -","- C25 H24 N2 O5 S2 -","- C50 H48 N4 O10 S4 -","2","1","","Nakhi, Ali; Prasad, Bagineni; Reddy, Uppender; Rao, Raja Mohan; Sandra, Sandhya; Kapavarapu, Ravikumar; Rambabu, D.; Rama Krishna, G.; Reddy, C. Malla; Ravada, Kishore; Misra, Parimal; Iqbal, Javed; Pal, Manojit","A new route to indoles via in situ desilylation‒Sonogashira strategy: identification of novel small molecules as potential anti-tuberculosis agents","MedChemComm","2011","2","10","1006","","10.1039/c1md00148e","","","0.71073","MoKα","","0.0531","0.0429","","","0.1053","0.113","","","","","","1.061","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112729","6.1944","0.0001","11.2496","0.0003","35.8673","0.0008","90","","90","","90","","2499.4","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","1","","Prevatt-Smith, Katherine M; Lovell, Kimberly M.; Simpson, Denise S.; Day, Victor W.; Douglas, Justin T.; Bosch, Peter; Dersch, Christina M.; Rothman, Richard B.; Kivell, Bronwyn; Prisinzano, Thomas E.","Potential Drug Abuse Therapeutics Derived from the Hallucinogenic Natural Product Salvinorin A.","MedChemComm","2011","2","12","1217","1222","10.1039/C1MD00192B","","","1.54178","CuKα","","0.052","0.0458","","","0.1222","0.126","","","","","","1.042","","","","has coordinates,has disorder","180241","2020-10-21","18:00:00",""
"7112730","10.1283","0.0003","8.5022","0.0003","11.0211","0.0004","90","","117.159","0.001","90","","844.42","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C36 H40 N4 O10 -","2","1","","Lou, Chenguang; Xiao, Qiang; Tailor, Radha R.; Ben Gaied, Nouha; Gale, Nittaya; Light, Mark E.; Fox, Keith R.; Brown, Tom","2′-Substituted 2-amino-3-methylpyridine ribonucleosides in triplex-forming oligonucleotides: triplex stability is determined by chemical environment","MedChemComm","2011","2","6","550","","10.1039/c1md00068c","","","0.71073","MoKα","","0.0515","0.0461","","","0.1109","0.1152","","","","","","0.914","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112731","25.4843","0.0004","25.4843","0.0004","4.9785","0.0001","90","","90","","120","","2800.11","0.08","120","2","120","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C108 H162 N18 O36 -","9","1","","Lou, Chenguang; Xiao, Qiang; Tailor, Radha R.; Ben Gaied, Nouha; Gale, Nittaya; Light, Mark E.; Fox, Keith R.; Brown, Tom","2′-Substituted 2-amino-3-methylpyridine ribonucleosides in triplex-forming oligonucleotides: triplex stability is determined by chemical environment","MedChemComm","2011","2","6","550","","10.1039/c1md00068c","","","0.71073","MoKα","","0.0383","0.0342","","","0.072","0.0747","","","","","","1.014","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112732","14.0273","0.0005","16.0539","0.0006","16.2753","0.0006","63.344","0.004","78.108","0.003","79.6","0.003","3188.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C152 H120 N24 O32 -","8","4","","Yeung, Sing Yee; Kampmann, Sven; Stubbs, Keith A.; Skelton, Brian W.; Kaskow, Belinda J.; Abraham, Lawrence J.; Stewart, Scott G.","Novel thalidomide analogues with potent NFκB and TNF expression inhibition","MedChemComm","2011","2","11","1073","","10.1039/c1md00184a","","","0.71073","MoKα","","0.1206","0.0751","","","0.1398","0.1589","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112733","8.0529","0.0006","16.038","0.0008","12.8344","0.0007","90","","101.335","0.006","90","","1625.26","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","Yeung, Sing Yee; Kampmann, Sven; Stubbs, Keith A.; Skelton, Brian W.; Kaskow, Belinda J.; Abraham, Lawrence J.; Stewart, Scott G.","Novel thalidomide analogues with potent NFκB and TNF expression inhibition","MedChemComm","2011","2","11","1073","","10.1039/c1md00184a","","","0.71073","MoKα","","0.1012","0.0495","","","0.1067","0.1165","","","","","","0.927","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112734","9.8793","0.0001","11.1873","0.0002","17.448","0.0004","90","","90","","90","","1928.4","0.06","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","","Öhrngren, Per; Wu, Xiongyu; Persson, Magnus; Ekegren, Jenny K.; Wallberg, Hans; Vrang, Lotta; Rosenquist, Åsa; Samuelsson, Bertil; Unge, Torsten; Larhed, Mats","HIV-1 protease inhibitors with a tertiary alcohol containing transition-state mimic and various P2 and P1′ substituents","MedChemComm","2011","2","8","701","","10.1039/c1md00077b","","","0.71073","MoKα","","0.0639","0.0471","","","0.1314","0.1451","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7112735","7.9973","0.0004","10.8873","0.0006","11.5879","0.0006","95.196","0.003","98.091","0.003","90.511","0.003","994.56","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H26 Cl2 N2 O3 Pt S2 -","- C14 H26 Cl2 N2 O3 Pt S2 -","- C28 H52 Cl4 N4 O6 Pt2 S4 -","2","1","","Alemán, José; del Solar, Virginia; Alvarez-Valdés, Amparo; Ríos-Luci, Carla; Padrón, José M.; Navarro-Ranninger, Carmen","Novel N-sulfonamide trans-platinum complexes: synthesis, reactivity and in vitro evaluation","MedChemComm","2011","2","8","789","","10.1039/c1md00070e","","","0.71073","MoKα","","0.0138","0.0126","","","0.0307","0.0311","","","","","","1.092","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112736","9.4612","0.0005","13.0067","0.0006","14.8753","0.0008","90","","90","","90","","1830.54","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","1","","Gundluru, Mahesh Kumar; Pourpak, Alan; Cui, Xiaoli; Morris, Stephan W.; Webb, Thomas R.","Design, synthesis and initial biological evaluation of a novel pladienolide analog scaffold.","MedChemComm","2011","2","9","904","908","10.1039/C1MD00040C","","","1.54178","CuKα","","0.0284","0.0274","","","0.068","0.0687","","","","","","1.059","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7125587","9.436","0.003","10.408","0.003","7.177","0.002","90","","90.05","0.02","90","","704.9","0.4","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Europium-di-imidazolate","Europium-di-imidazolate","","- C6 H6 Eu N4 -","- C6 H6 Eu N4 -","- C24 H24 Eu4 N16 -","4","0.5","","Zurawski, Alexander; Mai, Marit; Baumann, Dominik; Feldmann, Claus; Müller-Buschbaum, Klaus","Homoleptic imidazolate frameworks [Sr(1-x)Eu(x)(Im)2]‒hybrid materials with efficient and tuneable luminescence.","Chemical communications (Cambridge, England)","2011","47","1","496","498","10.1039/c0cc02093a","","","0.71073","MoKα","","0.0267","0.0191","","","0.0394","0.0404","","","","","","0.977","","","","has coordinates","244111","2020-10-21","18:00:00",""
"7125588","9.4371","0.0008","10.4565","0.0009","7.2353","0.0006","90","","89.96","0.01","90","","713.97","0.1","297","2","297","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium-di-imidazolate","Strontium-di-imidazolate","","- C6 H6 N4 Sr -","- C6 H6 N4 Sr -","- C24 H24 N16 Sr4 -","4","0.5","","Zurawski, Alexander; Mai, Marit; Baumann, Dominik; Feldmann, Claus; Müller-Buschbaum, Klaus","Homoleptic imidazolate frameworks [Sr(1-x)Eu(x)(Im)2]‒hybrid materials with efficient and tuneable luminescence.","Chemical communications (Cambridge, England)","2011","47","1","496","498","10.1039/c0cc02093a","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.0104","","1.19","","","","","","","has coordinates","244111","2020-10-21","18:00:00",""
"7125589","10.55","0.003","10.559","0.003","13.782","0.005","90","","95.16","0.02","90","","1529.1","0.8","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Europium-di-imidazole-di-imidazolate","Europium-di-imidazole-di-imidazolate","","- C12 H14 Eu N8 -","- C12 H14 Eu N8 -","- C48 H56 Eu4 N32 -","4","1","","Zurawski, Alexander; Mai, Marit; Baumann, Dominik; Feldmann, Claus; Müller-Buschbaum, Klaus","Homoleptic imidazolate frameworks [Sr(1-x)Eu(x)(Im)2]‒hybrid materials with efficient and tuneable luminescence.","Chemical communications (Cambridge, England)","2011","47","1","496","498","10.1039/c0cc02093a","","","0.71073","MoKα","","0.1599","0.0555","","","0.102","0.1263","","","","","","0.753","","","","has coordinates","244111","2020-10-21","18:00:00",""
"7125590","11.847","0.002","19.317","0.004","37.831","0.008","90","","93.95","0.03","90","","8637","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 Cu2 N12 O20 -","- C64 H100 Cu2 N12 O20 -","- C256 H400 Cu8 N48 O80 -","4","1","","Wenzel, Marco; Knapp, Quintin W.; Plieger, Paul G.","A bis-salicylaldoximato-copper(II) receptor for selective sulfate uptake.","Chemical communications (Cambridge, England)","2011","47","1","499","501","10.1039/c0cc02230f","","","1.54178","CuKα","","0.1092","0.086","","","0.2575","0.2767","","","","","","1.086","","","","has coordinates,has disorder","244112","2020-10-21","18:00:00",""
"7125591","19.805","0.004","20.32","0.004","21.84","0.004","90","","109.52","0.03","90","","8284","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H108 Cl2 Cu2 N8 O14 S -","- C66 H108 Cl2 Cu2 N8 O14 S -","- C264 H432 Cl8 Cu8 N32 O56 S4 -","4","1","","Wenzel, Marco; Knapp, Quintin W.; Plieger, Paul G.","A bis-salicylaldoximato-copper(II) receptor for selective sulfate uptake.","Chemical communications (Cambridge, England)","2011","47","1","499","501","10.1039/c0cc02230f","","","1.54178","CuKα","","0.0821","0.065","","","0.182","0.1946","","","","","","0.997","","","","has coordinates,has disorder","244112","2020-10-21","18:00:00",""
"7125592","20.2187","0.0004","21.9011","0.0004","38.781","0.003","90","","90","","90","","17172.7","1.4","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H100 Cu2 N8 O20 P2 S -","- C64 H100 Cu2 N8 O20 P2 S -","- C512 H800 Cu16 N64 O160 P16 S8 -","8","1","","Wenzel, Marco; Knapp, Quintin W.; Plieger, Paul G.","A bis-salicylaldoximato-copper(II) receptor for selective sulfate uptake.","Chemical communications (Cambridge, England)","2011","47","1","499","501","10.1039/c0cc02230f","","","1.54178","CuKα","","0.1223","0.0758","","","0.1998","0.233","","","","","","0.988","","","","has coordinates,has disorder","244112","2020-10-21","18:00:00",""
"7125593","10.464","0.002","18.668","0.004","21.678","0.004","78.77","0.03","85.67","0.03","85.96","0.03","4135","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H121 Cu2 N11 O22 S -","- C72 H121 Cu2 N11 O22 S -","- C144 H242 Cu4 N22 O44 S2 -","2","1","","Wenzel, Marco; Knapp, Quintin W.; Plieger, Paul G.","A bis-salicylaldoximato-copper(II) receptor for selective sulfate uptake.","Chemical communications (Cambridge, England)","2011","47","1","499","501","10.1039/c0cc02230f","","","1.54178","CuKα","","0.0921","0.0667","","","0.1689","0.1944","","","","","","1.108","","","","has coordinates,has disorder","244112","2020-10-21","18:00:00",""
"7125594","8.4918","0.0006","9.8418","0.0013","12.6119","0.0014","101.641","0.004","109.323","0.006","96.475","0.007","955.64","0.19","130","2","130","2","","","","","","","","2","P -1","-P 1","2","","","","- C48 H58 -","- C48 H58 -","- C48 H58 -","1","0.5","","Kulisic, Niksa; More, Sandeep; Mateo-Alonso, Aurelio","A tetraalkylated pyrene building block for the synthesis of pyrene-fused azaacenes with enhanced solubility.","Chemical communications (Cambridge, England)","2011","47","1","514","516","10.1039/c0cc02249g","","","0.71073","MoKα","","0.1383","0.0537","","","0.1114","0.1439","","","","","","0.924","","","","has coordinates","244113","2020-10-21","18:00:00",""
"7125595","33.788","0.012","33.788","0.007","39.938","0.008","90","","90","","120","","39486","18","180","2","180","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C160 H174 F3 Fe4 N28 O51 S12.5 -","- C72 H48 F1.52 Fe2 N12 O18 S6.25 -","- C576 H384 F12.16 Fe16 N96 O144 S50 -","8","0.666667","","Riddell, Imogen A.; Smulders, Maarten M. J.; Clegg, Jack K.; Nitschke, Jonathan R.","Encapsulation, storage and controlled release of sulfur hexafluoride from a metal-organic capsule.","Chemical communications (Cambridge, England)","2011","47","1","457","459","10.1039/c0cc02573a","","","0.71073","MoKα","","0.1596","0.1335","","","0.3527","0.369","","","","","","1.343","","","","has coordinates,has disorder","244114","2020-10-21","18:00:00",""
"7125596","18.1852","0.0006","11.5308","0.0004","12.079","0.0004","90","","100.628","0.002","90","","2489.39","0.15","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6.5 H15.5 Cl N2 O Pt0.5 S -","- C6.5 H15.5 Cl N2 O Pt0.5 S -","- C52 H124 Cl8 N16 O8 Pt4 S8 -","8","1","","Alves, Georges; Morel, Laurent; El-Ghozzi, Malika; Avignant, Daniel; Legeret, Bertrand; Nauton, Lionel; Cisnetti, Federico; Gautier, Arnaud","A platinum Chugaev carbene complex as a potent anticancer agent.","Chemical communications (Cambridge, England)","2011","47","27","7830","7832","10.1039/c1cc12228b","","","0.71073","MoKα","","0.0443","0.0301","","0.0384","0.0284","0.0268","","","","","","1.0822","","","","has coordinates","244139","2020-10-21","18:00:00",""
"7125597","13.693","0.0018","16.735","0.002","26.001","0.003","88.665","0.002","86.297","0.002","85.269","0.002","5924.5","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C97 H78 Cl4 F9 Ir3 N16 O9 S3 -","- C97 H78 Cl4 F9 Ir3 N16 O9 S3 -","- C194 H156 Cl8 F18 Ir6 N32 O18 S6 -","2","1","","Chandrasekhar, Vadapalli; Rahaman, S. M. Wahidur; Hajra, Tanima; Das, Dipak; Ghatak, Tapas; Rafiq, Shahnawaz; Sen, Pratik; Bera, Jitendra K.","A trinuclear bright red luminophore containing cyclometallated Ir(III) motifs.","Chemical communications (Cambridge, England)","2011","47","38","10836","10838","10.1039/c1cc12830b","","","0.71073","MoKα","","0.1061","0.078","","","0.2076","0.2224","","","","","","1.052","","","","has coordinates","244140","2020-10-21","18:00:00",""
"7125598","8.6494","0.0008","31.08","0.003","12.1964","0.0011","90","","94.251","0.002","90","","3269.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H24 F3 Ir N6 O3 S -","- C35 H24 F3 Ir N6 O3 S -","- C140 H96 F12 Ir4 N24 O12 S4 -","4","1","","Chandrasekhar, Vadapalli; Rahaman, S. M. Wahidur; Hajra, Tanima; Das, Dipak; Ghatak, Tapas; Rafiq, Shahnawaz; Sen, Pratik; Bera, Jitendra K.","A trinuclear bright red luminophore containing cyclometallated Ir(III) motifs.","Chemical communications (Cambridge, England)","2011","47","38","10836","10838","10.1039/c1cc12830b","","","0.71073","MoKα","","0.0662","0.0424","","","0.0966","0.1127","","","","","","1.021","","","","has coordinates,has disorder","244140","2020-10-21","18:00:00",""
"7125599","10.1","0.005","10.997","0.005","16.768","0.005","90","","90","","90","","1862.4","1.4","293","2","293","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N3 O3 -","- C17 H29 N3 O3 -","- C68 H116 N12 O12 -","4","1","","Reddy, Damodara N.; Thirupathi, Ravula; Prabhakaran, Erode N.","Accessing the disallowed conformations of peptides employing amide-to-imidate modification.","Chemical communications (Cambridge, England)","2011","47","33","9417","9419","10.1039/c1cc13515e","","x-ray","0.71073","MoKα","","0.0883","0.0532","","","0.1395","0.1541","","","","","","1.037","","","","has coordinates","244142","2020-10-21","18:00:00",""
"7125600","6.031","0.005","8.634","0.005","18.78","0.005","90","","94.933","0.005","90","","974.3","1","293","2","293","2","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N3 O4 -","- C17 H31 N3 O4 -","- C34 H62 N6 O8 -","2","1","","Reddy, Damodara N.; Thirupathi, Ravula; Prabhakaran, Erode N.","Accessing the disallowed conformations of peptides employing amide-to-imidate modification.","Chemical communications (Cambridge, England)","2011","47","33","9417","9419","10.1039/c1cc13515e","","x-ray","0.71073","MoKα","","0.073","0.0568","","","0.1401","0.1503","","","","","","1.066","","","","has coordinates","244142","2020-10-21","18:00:00",""
"7151626","18.124","0.0013","18.124","0.0013","9.8424","0.0008","90","","90","","90","","3233","0.4","273","2","273","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H18 O4 Se2 -","- C16 H18 O4 Se2 -","- C128 H144 O32 Se16 -","8","0.5","","Tripathi, Santosh K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","2-Phenoxyethanol derived diselenide and related compounds; synthesis of a seven-membered seleninate ester.","Organic & biomolecular chemistry","2011","9","2","581","587","10.1039/C0OB00038H","","","0.71073","MoKα","","0.1","0.0323","","","0.0567","0.0902","","","","","","1.157","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151627","15.814","0.0012","15.1093","0.0014","18.2919","0.0013","90","","93.682","0.009","90","","4361.6","0.6","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 O6 Se2 -","- C20 H26 O6 Se2 -","- C160 H208 O48 Se16 -","8","1","","Tripathi, Santosh K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","2-Phenoxyethanol derived diselenide and related compounds; synthesis of a seven-membered seleninate ester.","Organic & biomolecular chemistry","2011","9","2","581","587","10.1039/C0OB00038H","","","0.71073","MoKα","","0.1194","0.0622","","","0.1445","0.1582","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151628","10.8591","0.0003","10.0425","0.0003","17.0542","0.0004","90","","100.888","0.003","90","","1826.32","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Bhurruth-Alcor, Yushma; Røst, Therese; Jorgensen, Michael R.; Kontogiorgis, Christos; Skorve, Jon; Cooper, Robert G.; Sheridan, Joseph M.; Hamilton, William D. O.; Heal, Jonathan R.; Berge, Rolf K.; Miller, Andrew D.","Synthesis of novel PPARα/γ dual agonists as potential drugs for the treatment of the metabolic syndrome and diabetes type II designed using a new de novo design program PROTOBUILD.","Organic & biomolecular chemistry","2011","9","4","1169","1188","10.1039/C0OB00146E","","","0.71073","MoKα","","0.0808","0.0438","","","0.1012","0.1155","","","","","","1.04","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151629","18.0309","0.0004","5.88641","0.00015","19.522","0.0004","90","","98.636","0.002","90","","2048.52","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N2 O2 S -","- C26 H18 N2 O2 S -","- C104 H72 N8 O8 S4 -","4","1","","Bhurruth-Alcor, Yushma; Røst, Therese; Jorgensen, Michael R.; Kontogiorgis, Christos; Skorve, Jon; Cooper, Robert G.; Sheridan, Joseph M.; Hamilton, William D. O.; Heal, Jonathan R.; Berge, Rolf K.; Miller, Andrew D.","Synthesis of novel PPARα/γ dual agonists as potential drugs for the treatment of the metabolic syndrome and diabetes type II designed using a new de novo design program PROTOBUILD.","Organic & biomolecular chemistry","2011","9","4","1169","1188","10.1039/C0OB00146E","","","1.54248","CuKα","","0.0879","0.0404","","","0.0764","0.0869","","","","","","0.867","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151630","8.565","0.004","12.029","0.006","16.76","0.008","90","","91.239","0.01","90","","1726.4","1.4","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H36 Cl3 N3 Ni O5 -","- C33 H36 Cl3 N3 Ni O5 -","- C66 H72 Cl6 N6 Ni2 O10 -","2","1","","Luo, Xiaoyan; Jin, Zhichao; Li, Pengfei; Gao, Jiabin; Yue, Weimin; Liang, Xinmiao; Ye, Jinxing","Catalytic asymmetric Michael addition of α,β-unsaturated aldehydes to Ni(II) complexes of the Schiff base of glycine.","Organic & biomolecular chemistry","2011","9","3","793","801","10.1039/C0OB00221F","","","0.71073","MoKα","","0.1231","0.0793","","","0.2011","0.2399","","","","","","1.016","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151631","7.529","0.002","13.009","0.004","23.237","0.008","90","","90.36","0.006","90","","2275.9","1.2","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Br2 N2 O3 P -","- C19 H23 Br2 N2 O3 P -","- C76 H92 Br8 N8 O12 P4 -","4","2","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.1626","0.1516","","","0.3528","0.3628","","","","","","1.131","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151632","14.786","0.003","9.781","0.002","16.323","0.004","90","","101.211","0.004","90","","2315.6","0.9","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 I N2 O3 P -","- C25 H26 I N2 O3 P -","- C100 H104 I4 N8 O12 P4 -","4","1","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.0871","0.0396","","","0.0629","0.0722","","","","","","0.914","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151633","9.3517","0.0018","16.96","0.003","11.251","0.002","90","","103.824","0.003","90","","1732.8","0.5","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N2 O2 P -","- C18 H20 Br N2 O2 P -","- C72 H80 Br4 N8 O8 P4 -","4","1","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.1268","0.0821","","","0.2086","0.2893","","","","","","1.092","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151634","5.1216","0.0003","10.4652","0.0006","21.3646","0.0014","90","","95.373","0.002","90","","1140.08","0.12","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C42 H64 N4 O12 -","2","1","","Bouillère, Francelin; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Access to β,γ-diamino acids. Application to the synthesis of 3-deoxyaminostatine.","Organic & biomolecular chemistry","2011","9","2","394","399","10.1039/C0OB00370K","","x-ray","0.71073","MoKα","","0.1255","0.1177","","","0.316","0.3263","","","","","","1.061","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151635","18.7436","0.0005","18.7436","0.0005","13.3951","0.0004","90","","90","","120","","4075.5","0.2","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C20 H20 Cl2 N2 Pd -","- C20 H20 Cl2 N2 Pd -","- C120 H120 Cl12 N12 Pd6 -","6","1","","Grach, Guillaume; Dinut, Aurelia; Marque, Sylvain; Marrot, Jérôme; Gil, Richard; Prim, Damien","Enantioselective Friedel-Crafts alkylation of indole derivatives catalyzed by new Yb(OTf)3-pyridylalkylamine complexes as chiral Lewis acids.","Organic & biomolecular chemistry","2011","9","2","497","503","10.1039/C0OB00461H","","","0.71073","MoKα","","0.0523","0.0447","","","0.1229","0.1294","","","","","","1.109","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151636","13.912","0.003","5.9518","0.0012","21.173","0.004","90","","90","","90","","1753.2","0.6","100","1","100","1","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl N O S -","- C9 H6 Cl N O S -","- C72 H48 Cl8 N8 O8 S8 -","8","1","","Wisastra, Rosalina; Ghizzoni, Massimo; Maarsingh, Harm; Minnaard, Adriaan J.; Haisma, Hidde J.; Dekker, Frank J.","Isothiazolones; thiol-reactive inhibitors of cysteine protease cathepsin B and histone acetyltransferase PCAF.","Organic & biomolecular chemistry","2011","9","6","1817","1822","10.1039/C0OB00464B","","","0.71073","MoKα","","0.0456","0.036","","","0.0875","0.0937","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151637","17.363","0.019","6.389","0.007","7.471","0.008","90","","95.868","0.018","90","","824.4","1.6","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N O S -","- C9 H7 N O S -","- C36 H28 N4 O4 S4 -","4","1","","Wisastra, Rosalina; Ghizzoni, Massimo; Maarsingh, Harm; Minnaard, Adriaan J.; Haisma, Hidde J.; Dekker, Frank J.","Isothiazolones; thiol-reactive inhibitors of cysteine protease cathepsin B and histone acetyltransferase PCAF.","Organic & biomolecular chemistry","2011","9","6","1817","1822","10.1039/C0OB00464B","","","0.71073","MoKα","","0.1081","0.0767","","","0.1824","0.2014","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151638","16.771","0.0016","7.1231","0.001","21.515","0.003","90","","90","","90","","2570.2","0.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 N S2 -","- C15 H11 N S2 -","- C120 H88 N8 S16 -","8","2","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.0826","0.0554","","","0.1307","0.148","","","","","","1.086","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151639","18.3919","0.0005","16.7137","0.0005","9.28","0.0003","90","","103.914","0.003","90","","2768.94","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N S2 -","- C16 H13 N S2 -","- C128 H104 N8 S16 -","8","2","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","1.54178","CuKα","","0.0535","0.0389","","","0.1038","0.1103","","","","","","1.044","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151640","18.2767","0.0008","5.6221","0.0002","14.5289","0.0006","90","","90","","90","","1492.89","0.1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 N S2 -","- C17 H15 N S2 -","- C68 H60 N4 S8 -","4","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.0504","0.0356","","","0.0633","0.0655","","","","","","0.914","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151641","8.0959","0.0004","5.7246","0.0003","22.417","0.0009","90","","95.369","0.004","90","","1034.38","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O5 S -","- C22 H23 N3 O5 S -","- C44 H46 N6 O10 S2 -","2","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","1.54178","CuKα","","0.0903","0.0578","","","0.1278","0.1445","","","","","","0.978","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151642","10.158","0.0006","5.7057","0.0003","11.3236","0.0007","90","","111.933","0.007","90","","608.8","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cl N -","- C4 H8 Cl N -","- C16 H32 Cl4 N4 -","4","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.039","0.0285","","","0.0699","0.0723","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151643","10.019","0.002","6.5258","0.0013","22.94","0.005","90","","101.39","0.03","90","","1470.3","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-(2, 3-O-isopropylidene-A-D-ribofuransoyl)amino-5-cyano-6- chloropyrimidine","4-(2, 3-O-isopropylidene-Â-D-ribofuransoyl)amino-5-cyano-6-chloropyrimidine","","- C13 H15 Cl N4 O4 -","- C13 H15 Cl N4 O4 -","- C52 H60 Cl4 N16 O16 -","4","2","","Yang, Hao-Zhe; Pan, Mei-Ying; Jiang, Da-Wei; He, Yang","Synthesis of Janus type nucleoside analogues and their preliminary bioactivity.","Organic & biomolecular chemistry","2011","9","5","1516","1522","10.1039/C0OB00495B","","","0.71073","MoKα","","0.0407","0.0372","","","0.0822","0.0854","","","","","","1.02","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7151644","7.4866","0.0002","14.3369","0.0002","17.3851","0.0003","90","","100.017","0.0009","90","","1837.58","0.06","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O3 S -","- C19 H16 F3 N O3 S -","- C76 H64 F12 N4 O12 S4 -","4","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0482","0.0393","","","0.1022","0.1099","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151645","12.175","0.0002","10.9843","0.0002","14.5988","0.0002","90","","90","","90","","1952.35","0.05","150","2","150","2","","","","","","","synthesized by the authors","6","P c a 21","P 2c -2ac","29","","","","- C18 H18 F3 N O3 S2 -","- C18 H18 F3 N O3 S2 -","- C72 H72 F12 N4 O12 S8 -","4","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0362","0.0333","","","0.0864","0.0893","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151646","23.1671","0.0005","10.5994","0.0002","15.6896","0.0003","90","","92.516","0.0013","90","","3848.98","0.13","150","2","150","2","","","","","","","synthesized by the authors","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 F3 N O3 S -","- C21 H18 F3 N O3 S -","- C168 H144 F24 N8 O24 S8 -","8","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0512","0.0405","","","0.1031","0.1105","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151647","23.3925","0.0002","6.2169","0.0004","13.0456","0.0008","90","","90","","90","","1897.21","0.17","150","2","150","2","","","","","","","synthesized by the authors","3","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 -","- C12 H8 N2 -","- C96 H64 N16 -","8","2","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0893","0.0517","","","0.1121","0.1337","","","","","","1.068","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151648","7.4977","0.0002","10.5242","0.0002","11.7581","0.0003","81.4639","0.0015","79.5813","0.0013","75.5501","0.0015","878.42","0.04","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C17 H13 F3 N2 O3 S -","- C17 H13 F3 N2 O3 S -","- C34 H26 F6 N4 O6 S2 -","2","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0449","0.0363","","","0.1032","0.1114","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151649","10.9379","0.0017","12.55","0.002","31.289","0.005","90","","90","","90","","4295.1","1.2","180","2","180","2","","","","","","","","5","C 2 2 21","C 2c 2","20","DHT-T2","","","- C18 H30 N2 O6 Si -","- C18 H30 N2 O6 Si -","- C144 H240 N16 O48 Si8 -","8","1","","Luo, Qun; Wu, Dayong; Liu, Shixiong; Tang, Daihua; Huang, Yong; Liu, Xinhou; Wang, Fuyi; Wang, Ruiyao; Wu, Gang","The formation of thymidine-based T-tetramers with remarkable structural and metal ion size effects.","Organic & biomolecular chemistry","2011","9","4","1030","1033","10.1039/C0OB00520G","","","0.71073","MoKα","","0.0302","0.027","","","0.0694","0.0705","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151650","11.2213","0.0003","11.0837","0.0002","18.7917","0.0005","90","","100.181","0.001","90","","2300.39","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O3 -","- C28 H26 N4 O3 -","- C112 H104 N16 O12 -","4","1","","Chanda, Kaushik; Maiti, Barnali; Yellol, Gorakh S.; Chien, Ming-Hsien; Kuo, Min-Liang; Sun, Chung-Ming","Polymer supported synthesis of novel benzoxazole linked benzimidazoles under microwave conditions: In vitro evaluation of VEGFR-3 kinase inhibition activity.","Organic & biomolecular chemistry","2011","9","6","1917","1926","10.1039/C0OB00547A","","","0.71073","MoKα","","0.0844","0.0473","","","0.1126","0.13","","","","","","1.032","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151651","6.4285","0.0004","31.4664","0.0018","7.0702","0.0004","90","","106.517","0.002","90","","1371.16","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0489","0.0411","","","0.0989","0.1038","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151652","23.576","0.003","16.388","0.002","24.599","0.003","90","","91.441","0.002","90","","9501","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C104 H86 N4 Nd2 O20 Zn2 -","- C104 H85 N4 Nd2 O20 Zn2 -","- C416 H340 N16 Nd8 O80 Zn8 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0894","0.0578","","","0.1281","0.147","","","","","","0.997","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7151653","13.028","0.003","13.163","0.003","15.397","0.003","75.58","0.03","82.38","0.03","83.32","0.03","2525.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 N2 O11 Tb Zn -","- C53 H45 N2 O11 Tb Zn -","- C106 H90 N4 O22 Tb2 Zn2 -","2","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0586","0.0406","","","0.0955","0.0992","","","","","","0.986","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151654","13.056","0.004","13.146","0.004","15.367","0.005","75.54","0.003","82.406","0.004","83.166","0.004","2521.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 Ho N2 O11 Zn -","- C53 H45 Ho N2 O11 Zn -","- C106 H90 Ho2 N4 O22 Zn2 -","2","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0657","0.0523","","","0.1415","0.1497","","","","","","1.031","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151655","10.719","0.002","21.494","0.004","26.116","0.005","90","","90.83","0.03","90","","6016","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H57 N4 O14 Pr Zn2 -","- C68 H57 N4 O14 Pr Zn2 -","- C272 H228 N16 O56 Pr4 Zn8 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0973","0.0477","","","0.0916","0.1104","","","","","","0.939","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151656","5.6309","0.001","8.4895","0.0016","14.66","0.003","88.759","0.003","84.82","0.003","73.866","0.003","670.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Br2 N O -","- C14 H15 Br2 N O -","- C28 H30 Br4 N2 O2 -","2","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, D. A.","A novel synthesis of (di)-benzazocinones via an endocyclic N-acyliminium ion cyclisation.","Organic & biomolecular chemistry","2011","9","5","1547","1554","10.1039/C0OB00559B","","","0.71073","MoKα","","0.0436","0.0384","","","0.1051","0.1097","","","","","","0.755","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151657","10.9351","0.0014","11.7459","0.0015","24.978","0.003","90","","90","","90","","3208.2","0.7","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-N-((S)-1,1,1-trifluoro-4-oxo-4-phenylbutan-2-yl) propane-2-sulfinamide","(S)-2-methyl-N-((S)-1,1,1-trifluoro-4-oxo-4-phenylbutan-2-yl) propane-2-sulfinamide","","- C14 H18 F3 N O2 S -","- C14 H18 F3 N O2 S -","- C112 H144 F24 N8 O16 S8 -","8","2","","Mei, Haibo; Xiong, Yiwen; Han, Jianlin; Pan, Yi","A facile process for the asymmetric synthesis of β-trifluoromethylated β-amino ketones via addition of ketone enolates to sulfinylimine.","Organic & biomolecular chemistry","2011","9","5","1402","1406","10.1039/C0OB00586J","","","0.71073","MoKα","","0.0657","0.0348","","","0.0557","0.0592","","","","","","0.98","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151658","10.881","0.007","17.932","0.011","11.015","0.007","90","","104.754","0.01","90","","2078","2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","1","","Ramesh, Veera V. E.; Roy, Arup; Vijayadas, Kuruppanthara N.; Kendhale, Amol M.; Prabhakaran, Panchami; Gonnade, Rajesh; Puranik, Vedavati G.; Sanjayan, Gangadhar J.","Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers.","Organic & biomolecular chemistry","2011","9","2","367","369","10.1039/C0OB00593B","","","0.71073","MoKα","","0.1334","0.0912","","","0.2283","0.2556","","","","","","1.063","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151659","11.8387","0.0017","16.585","0.002","19.535","0.003","90","","90","","90","","3835.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Phthalimide","","","- C21 H14 N2 O7 -","- C21 H11 N2 O7 -","- C168 H88 N16 O56 -","8","1","","Ramesh, Veera V. E.; Roy, Arup; Vijayadas, Kuruppanthara N.; Kendhale, Amol M.; Prabhakaran, Panchami; Gonnade, Rajesh; Puranik, Vedavati G.; Sanjayan, Gangadhar J.","Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers.","Organic & biomolecular chemistry","2011","9","2","367","369","10.1039/C0OB00593B","","","0.71073","MoKα","","0.0707","0.0525","","","0.1466","0.1635","","","","","","1.032","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151660","12.27","0.0003","19.6334","0.0007","20.4221","0.0006","75.23","0.002","72.675","0.002","75.364","0.0014","4457.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H96 N16 O24 -","- C96 H96 N16 O24 -","- C192 H192 N32 O48 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1053","0.0748","","","0.2233","0.2492","","","","","","1.392","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151661","11.8003","0.0004","20.6248","0.0007","21.2868","0.0008","110.363","0.002","97.492","0.002","99.82","0.002","4683.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H102 N16 O25 -","- C99 H102 N16 O25 -","- C198 H204 N32 O50 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1424","0.0829","","","0.2032","0.2343","","","","","","1.37","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151662","11.1398","0.0003","22.0112","0.0006","22.5117","0.0006","113.189","0.002","100.427","0.0016","99.965","0.0011","4804.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C103 H110 N16 O25 -","- C103 H110 N16 O25 -","- C206 H220 N32 O50 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1549","0.0979","","","0.2643","0.3077","","","","","","1.323","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151663","11.8347","0.0003","20.5903","0.0005","22.5132","0.0007","113.258","0.002","95.992","0.002","100.282","0.002","4865.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C103 H110 N16 O25 -","- C103 H110 N16 O25 -","- C206 H220 N32 O50 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1702","0.0946","","","0.2234","0.2682","","","","","","1.217","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151664","11.9965","0.0003","20.2594","0.0005","22.8564","0.0005","114.695","0.001","96.967","0.0009","99.77","0.002","4857.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H104 N16 O24 -","- C100 H104 N16 O24 -","- C200 H208 N32 O48 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1175","0.0675","","","0.1598","0.1812","","","","","","1.12","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151665","12.0137","0.0003","20.275","0.0004","22.8339","0.0004","115.072","0.001","96.578","0.001","99.681","0.002","4857.3","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H107 N17 O24 -","- C102 H107 N17 O24 -","- C204 H214 N34 O48 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.0951","0.0651","","","0.1754","0.1913","","","","","","1.23","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151666","12.6739","0.0005","20.5874","0.0007","25.8506","0.0009","77.841","0.003","77.976","0.002","74.025","0.002","6257.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H163 N16 O25.5 -","- C132 H160 N16 O25.5 -","- C264 H320 N32 O51 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.2509","0.1458","","","0.3528","0.4282","","","","","","1.283","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151667","7.753","0.005","8.285","0.005","11.93","0.005","84.628","0.005","76.938","0.005","84.323","0.005","740.8","0.7","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","2,5-dichloro-8-formyl-4(4-methoxyphenyl)quinazoline","2,5-dichloro-8-formyl-4(4-methoxyphenyl)quinazoline","","- C16 H10 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C32 H20 Cl4 N4 O4 -","2","1","","Crespo, Abel; Coelho, Alberto; Diz, Paula M.; Fernández, Franco; Novoa de Armas, Hector; Sotelo, Eddy","Convergent assembly of structurally diverse quinazolines.","Organic & biomolecular chemistry","2011","9","2","351","357","10.1039/C0OB00608D","","x-ray","0.71069","MoKα","","0.0899","0.0442","","","0.0985","0.107","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151668","12.789","0.003","26.622","0.006","20.717","0.004","90","","127.862","0.01","90","","5569","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 F12 N2 O10 P2 -","- C56 H60 F12 N2 O10 P2 -","- C224 H240 F48 N8 O40 P8 -","4","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.2569","0.0996","","","0.2747","0.3605","","","","","","0.956","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151669","13.672","0.011","14.541","0.011","16.402","0.012","112.152","0.01","92.063","0.012","104.255","0.012","2897","4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 F12 N2 O10 P2 -","- C56 H68 F12 N2 O10 P2 -","- C112 H136 F24 N4 O20 P4 -","2","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.3528","0.1022","","","0.2318","0.3432","","","","","","0.949","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151670","13.677","0.003","17.347","0.004","34.994","0.007","90","","106.807","0.007","90","","7948","3","298","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 F12 N2 O11 P2 -","- C72 H94 F12 N2 O11 P2 -","- C288 H376 F48 N8 O44 P8 -","4","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.2465","0.1151","","","0.3135","0.4038","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151671","13.666","0.002","17.343","0.003","34.9","0.005","90","","106.726","0.005","90","","7922","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 F12 N2 O11 P2 -","- C72 H92 F12 N2 O11 P2 -","- C288 H368 F48 N8 O44 P8 -","4","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.2379","0.161","","","0.4757","0.5147","","","","","","1.717","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151672","6.5189","0.0001","10.7194","0.0002","11.0482","0.0002","65.732","0.001","77.573","0.001","80.693","0.001","684.99","0.02","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Br2 N O5 -","- C11 H11 Br2 N O5 -","- C22 H22 Br4 N2 O10 -","2","1","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.059","0.0379","","","0.0876","0.0972","","","","","","1.01","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151673","10.9772","0.0001","25.2605","0.0003","10.1567","0.0002","90","","104.6","0.03","90","","2725.4","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br2 N O5 -","- C11 H11 Br2 N O5 -","- C88 H88 Br16 N8 O40 -","8","2","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.0937","0.0471","","","0.0928","0.1063","","","","","","1.014","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151674","8.971","0.0002","10.6189","0.0002","22.6185","0.0006","90","","90","","90","","2154.69","0.08","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H6 Br2 O4 -","- C10 H6 Br2 O4 -","- C80 H48 Br16 O32 -","8","2","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.0587","0.0462","","","0.1169","0.1354","","","","","","1.074","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151675","20.618","0.003","4.6216","0.0006","16.874","0.002","90","","117.449","0.002","90","","1426.9","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 N2 O5 -","- C13 H20 N2 O5 -","- C52 H80 N8 O20 -","4","0.5","","Zhang, Yagang; Song, Di; Brown, Julius C.; Shimizu, Ken D.","Suppression of background sites in molecularly imprinted polymers via urea-urea monomer aggregation.","Organic & biomolecular chemistry","2011","9","1","120","126","10.1039/C0OB00637H","","","0.71073","MoKα","","0.0517","0.0362","","","0.0888","0.0948","","","","","","0.951","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151676","8.779","0.0002","15.427","0.0004","12.67","0.0004","90","","94.858","0.002","90","","1709.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F3 N O3 -","- C20 H14 F3 N O3 -","- C80 H56 F12 N4 O12 -","4","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0925","0.0589","","","0.1862","0.2306","","","","","","0.863","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151677","7.811","0.0002","8.3322","0.0002","12.4088","0.0004","70.775","0.001","89.288","0.001","78.72","0.001","746.65","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br N2 O3 -","- C15 H15 Br N2 O3 -","- C30 H30 Br2 N4 O6 -","2","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.062","0.0491","","","0.1081","0.1159","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151678","9.8444","0.0004","10.7537","0.0004","17.1394","0.0008","90","","100.088","0.002","90","","1786.39","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.156","0.0611","","","0.1618","0.244","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151679","11.2975","0.0002","15.8036","0.0003","20.145","0.0006","90","","90","","90","","3596.71","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C152 H128 N16 O48 -","8","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0913","0.0543","","","0.1566","0.1938","","","","","","1.076","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151680","7.8329","0.0003","16.6085","0.0006","13.2043","0.0005","90","","101.014","0.002","90","","1686.14","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C76 H64 Cl4 N4 O16 -","4","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0586","0.0411","","","0.119","0.1432","","","","","","1.164","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151681","9.851","0.002","11.303","0.002","15.868","0.003","82.36","0.03","76.88","0.03","64.54","0.03","1552.4","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 N O7 -","- C38 H36 N O7 -","- C76 H72 N2 O14 -","2","1","","Liu, Jia; Wang, Xi; Sun, Chang-Liang; Li, Bi-Jie; Shi, Zhang-Jie; Wang, Min","New strategy to construct fused/bridged/spiro carbocyclic scaffolds based on the design of novel 6-C synthon precursor.","Organic & biomolecular chemistry","2011","9","5","1572","1577","10.1039/C0OB00660B","","","0.71073","MoKα","","0.0883","0.0775","","","0.1767","0.1831","","","","","","1.211","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151682","12.624","0.003","10.895","0.002","21.852","0.004","90","","104.9","0.03","90","","2904.4","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 O13 -","- C31 H34 O13 -","- C124 H136 O52 -","4","1","","Liu, Jia; Wang, Xi; Sun, Chang-Liang; Li, Bi-Jie; Shi, Zhang-Jie; Wang, Min","New strategy to construct fused/bridged/spiro carbocyclic scaffolds based on the design of novel 6-C synthon precursor.","Organic & biomolecular chemistry","2011","9","5","1572","1577","10.1039/C0OB00660B","","","0.71073","MoKα","","0.1659","0.0649","","","0.0734","0.0871","","","","","","0.99","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151683","9.7745","0.0006","9.7915","0.0004","20.5118","0.0009","90","","90","","90","","1963.12","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 O8 -","- C20 H17 N3 O8 -","- C80 H68 N12 O32 -","4","1","","Sen, Subhabrata; Potti, Venkata R.; Surakanti, Ramu; Murthy, Y. L. N.; Pallepogu, Raghavaiah","Enantioselective synthesis of spirooxoindoles via chiral auxiliary (bicyclic lactam) controlled SNAr reactions.","Organic & biomolecular chemistry","2011","9","2","358","360","10.1039/C0OB00661K","","","0.71073","MoKα","","0.0805","0.0406","","","0.0662","0.0733","","","","","","0.833","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151684","7.471","0.0001","8.305","0.0001","21.194","0.0004","90","","90","","90","","1315.02","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0725","0.0426","","","0.0893","0.1022","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151685","8.618","0.0004","9.912","0.0004","10.226","0.0005","114.347","0.002","108.553","0.002","100.738","0.002","701.65","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C32 H22 Br2 N4 O6 -","2","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0421","0.0303","","","0.0642","0.068","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151686","13.988","0.0002","10.997","0.0002","16.197","0.0002","90","","95.645","0.001","90","","2479.44","0.07","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C32 H24 N2 O4 -","- C32 H23 N2 O4 -","- C128 H92 N8 O16 -","4","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0836","0.0649","","","0.1729","0.186","","","","","","1.098","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151687","8.2259","0.0012","12.3386","0.0017","9.1136","0.0013","90","","97.552","0.002","90","","917","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O5 -","- C20 H16 Br N O5 -","- C40 H32 Br2 N2 O10 -","2","1","","Jin, Zhichao; Yu, Feng; Wang, Xiao; Huang, Huicai; Luo, Xiaoyan; Liang, Xinmiao; Ye, Jinxing","A one-pot asymmetric organocatalytic tandem reaction for the synthesis of oxazine derivatives.","Organic & biomolecular chemistry","2011","9","6","1809","1816","10.1039/C0OB00669F","","","0.71073","MoKα","","0.0661","0.0468","","","0.1032","0.1086","","","","","","0.896","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151688","9.6263","0.0013","14.1765","0.0014","16.473","0.002","90","","90","","90","","2248","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 F3 N2 O2 S -","- C24 H25 F3 N2 O2 S -","- C96 H100 F12 N8 O8 S4 -","4","1","","Grellepois, Fabienne; Nonnenmacher, Jean; Lachaud, Fabien; Portella, Charles","Enantiomerically pure 2-aryl(alkyl)-2-trifluoromethylaziridines: synthesis and ring opening with selected O- and N-nucleophiles.","Organic & biomolecular chemistry","2011","9","4","1160","1168","10.1039/C0OB00690D","","x-ray","0.71073","MoKα","","0.0566","0.042","","","0.0978","0.1031","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151689","9.7065","0.0007","9.7065","0.0007","45.227","0.005","90","","90","","90","","4261.1","0.6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C21 H20 F5 N O2 S -","- C21 H20 F5 N O2 S -","- C168 H160 F40 N8 O16 S8 -","8","1","","Li, Peng; Liu, Li-Juan; Liu, Jin-Tao","Per(poly)fluoroalkanesulfinamides assisted diastereoselective three-component inverse-electron-demand aza Diels-Alder reaction.","Organic & biomolecular chemistry","2011","9","1","74","77","10.1039/C0OB00699H","","","0.71073","MoKα","","0.1385","0.04","","","0.058","0.0781","","","","","","0.874","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151690","12.1841","0.0015","5.7816","0.0007","24.406","0.003","90","","99.492","0.002","90","","1695.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl F7 N O2 S -","- C14 H11 Cl F7 N O2 S -","- C56 H44 Cl4 F28 N4 O8 S4 -","4","1","","Li, Peng; Liu, Li-Juan; Liu, Jin-Tao","Per(poly)fluoroalkanesulfinamides assisted diastereoselective three-component inverse-electron-demand aza Diels-Alder reaction.","Organic & biomolecular chemistry","2011","9","1","74","77","10.1039/C0OB00699H","","","0.71073","MoKα","","0.0885","0.0732","","","0.2257","0.2394","","","","","","1.073","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151691","10.7328","0.001","12.0282","0.001","19.7768","0.0018","90","","90","","90","","2553.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N O9 -","- C25 H33 N O9 -","- C100 H132 N4 O36 -","4","1","","Kurhade, Suresh E.; Mengawade, Tanaji; Bhuniya, Debnath; Palle, Venkata P.; Reddy, D. Srinivasa","Synthesis of novel sugar-lactam conjugates using the Aubé reaction.","Organic & biomolecular chemistry","2011","9","3","744","747","10.1039/C0OB00719F","","","0.71073","MoKα","","0.1458","0.0571","","","0.0866","0.1055","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151692","6.771","0.0003","26.804","0.0015","7.448","0.0003","90","","89.867","0.003","90","","1351.73","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","2","","Jeffs, Laura; Arquier, Damien; Kariuki, Benson; Bethell, Donald; Page, Philip C Bulman; Hutchings, Graham J.","On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines.","Organic & biomolecular chemistry","2011","9","4","1079","1084","10.1039/C0OB00724B","","","0.71073","MoKα","","0.1178","0.0964","","","0.2224","0.235","","","","","","1.062","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151693","13.483","0.0005","7.543","0.0003","14.765","0.0005","90","","114.997","0.002","90","","1360.98","0.09","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","","Jeffs, Laura; Arquier, Damien; Kariuki, Benson; Bethell, Donald; Page, Philip C Bulman; Hutchings, Graham J.","On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines.","Organic & biomolecular chemistry","2011","9","4","1079","1084","10.1039/C0OB00724B","","","0.71073","MoKα","","0.065","0.045","","","0.0997","0.109","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151694","10.158","0.003","14.069","0.004","17.637","0.004","90","","99.962","0.011","90","","2482.6","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 N3 O7 -","- C21 H31 N3 O7 -","- C84 H124 N12 O28 -","4","1","","Desmarchelier, Alaric; Marrot, Jérôme; Moreau, Xavier; Greck, Christine","Asymmetric organocatalytic Michael-α-amination sequence for the construction of a quaternary stereocenter.","Organic & biomolecular chemistry","2011","9","4","994","997","10.1039/C0OB00751J","","","0.71073","MoKα","","0.0861","0.0659","","","0.1933","0.2158","","","","","","1.216","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151695","23.0916","0.0013","7.3204","0.0004","38.0041","0.0018","90","","97.32","0.003","90","","6371.8","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C320 H256 N32 O16 -","16","2","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.0688","0.0454","","","0.1279","0.1535","","","","","","1.041","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151696","14.2593","0.0003","12.1166","0.0003","19.4748","0.0005","90","","101.738","0.001","90","","3294.38","0.14","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C38 H42 Cu2 N4 -","- C38 H38 Cu2 N4 -","- C152 H152 Cu8 N16 -","4","1","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.058","0.0432","","","0.1097","0.1192","","","","","","1.037","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151697","9.3101","0.0002","9.2508","0.0003","11.242","0.0004","69.333","0.001","84.453","0.001","76.764","0.001","881.72","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Cl Cu N2 O -","- C17 H19 Cl Cu N2 O -","- C34 H38 Cl2 Cu2 N4 O2 -","2","1","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.0866","0.0799","","","0.1958","0.2017","","","","","","1.038","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151698","6.0102","0.0006","10.0194","0.0009","15.9053","0.0015","81.28","0.002","83.245","0.002","75.899","0.002","914.94","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Sada, Mutsumi; Nomura, Kenichi; Matsubara, Seijiro","A tandem reaction of organozinc reagent prepared from palladium-catalyzed umpolung method: diastereoselective formation of cyclohexene derivatives bearing three adjacent stereocenters.","Organic & biomolecular chemistry","2011","9","5","1389","1393","10.1039/C0OB00806K","","","0.71073","MoKα","","0.0625","0.0541","","","0.1829","0.199","","","","","","0.823","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151699","8.894","0.0003","8.467","0.0003","15.2509","0.0006","90","","90","","90","","1148.48","0.07","260","2","260","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Smith, Catherine J.; Smith, Christopher D.; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","Flow synthesis of organic azides and the multistep synthesis of imines and amines using a new monolithic triphenylphosphine reagent.","Organic & biomolecular chemistry","2011","9","6","1927","1937","10.1039/C0OB00813C","","","0.71073","MoKα","","0.0399","0.0338","","","0.0851","0.0907","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151700","7.4355","0.0001","8.5948","0.0002","13.7214","0.0003","88.715","0.001","89.784","0.001","68.818","0.001","817.43","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H3 Br N4 -","- C7 H3 Br N4 -","- C28 H12 Br4 N16 -","4","2","","Smith, Catherine J.; Smith, Christopher D.; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","Flow synthesis of organic azides and the multistep synthesis of imines and amines using a new monolithic triphenylphosphine reagent.","Organic & biomolecular chemistry","2011","9","6","1927","1937","10.1039/C0OB00813C","","","0.71073","MoKα","","0.0541","0.0402","","","0.1012","0.1102","","","","","","1.023","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151701","27.8326","0.0007","6.2301","0.0002","11.8916","0.0003","90","","94.99","0.03","90","","2054.19","0.14","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.0593","0.0465","","","0.1161","0.1257","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151702","10.1129","0.0002","14.736","0.0005","7.3628","0.0002","90","","118.152","0.003","90","","967.43","0.05","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.036","0.0308","","","0.0702","0.0727","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151703","33.4277","0.0008","6.1102","0.0002","12.4082","0.0003","90","","106.375","0.002","90","","2431.57","0.12","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N5 -","- C12 H13 N5 -","- C96 H104 N40 -","8","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.0681","0.047","","","0.1327","0.1412","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151704","7.2576","0.0002","8.4262","0.0002","8.8405","0.0002","97.305","0.001","110.101","0.001","90.585","0.001","502.74","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 Br N6 -","- C10 H5 Br N6 -","- C20 H10 Br2 N12 -","2","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.0401","0.032","","","0.0772","0.0811","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151705","6.9783","0.0003","11.2514","0.0005","14.4801","0.0007","90","","91.389","0.002","90","","1136.58","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 N2 O6 Se2 -","- C18 H28 N2 O6 Se2 -","- C36 H56 N4 O12 Se4 -","2","1","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.0587","0.038","","","0.0708","0.0775","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151706","5.3658","0.0011","10.1748","0.0018","10.905","0.002","82.918","0.011","88.385","0.011","78.119","0.012","578.17","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H36 Br N2 O3 -","- C21 H36 Br N2 O3 -","- C21 H36 Br N2 O3 -","1","1","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.1794","0.095","","","0.2661","0.3022","","","","","","0.921","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151707","5.7334","0.0009","7.899","0.0012","47.642","0.007","90","","90","","90","","2157.6","0.6","293","2","293","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C10 H12 O3 Se -","- C10 H12 O3 Se -","- C80 H96 O24 Se8 -","8","2","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.0789","0.0529","","","0.0921","0.0993","","","","","","1.149","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151708","5.654","0.0009","7.4586","0.0012","13.1","0.002","90","","99.649","0.003","90","","544.62","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0439","0.0369","","","0.0849","0.0881","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151709","6.8992","0.0008","6.9979","0.0008","24.978","0.003","90","","90","","90","","1205.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0304","0.025","","","0.0492","0.05","","","","","","0.984","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151710","5.331","0.002","7.848","0.003","14.735","0.006","90","","95.877","0.006","90","","613.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0327","0.032","","","0.0854","0.0879","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151711","9.7651","0.0006","11.2401","0.0008","11.3429","0.0009","76.03","0.001","81.135","0.001","73.662","0.001","1154.42","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Cl N3 O2 -","- C27 H26 Cl N3 O2 -","- C54 H52 Cl2 N6 O4 -","2","1","","He, Ping; Nie, Yi-Bo; Wu, Jing; Ding, Ming-Wu","Unexpected synthesis of indolo[1,2-c]quinazolines by a sequential Ugi 4CC-Staudinger-aza-Wittig-nucleophilic addition reaction.","Organic & biomolecular chemistry","2011","9","5","1429","1436","10.1039/C0OB00855A","","","0.71073","MoKα","","0.0533","0.046","","","0.1267","0.1319","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151712","9.4053","0.0003","9.7021","0.0004","21.9587","0.001","90","","92.978","0.002","90","","2001.05","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Cheetham, Caroline A.; Massey, Richard S.; Pira, Silvain L.; Pritchard, Robin G.; Wallace, Timothy W.","Atroposelective formation of dibenz[c,e]azepines via intramolecular direct arylation with centre-axis chirality transfer.","Organic & biomolecular chemistry","2011","9","6","1831","1838","10.1039/C0OB00889C","","x-ray","0.71073","MoKα","","0.1888","0.0861","","","0.166","0.2154","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151713","13.333","0.002","10.094","0.002","11.308","0.004","90","","109.94","0.02","90","","1430.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.7107","MoKα","","0.0692","0.0468","","","0.1245","0.1347","","","","","","1.214","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151714","6.6455","0.0007","12.928","0.0013","12.943","0.0013","101.997","0.002","90.461","0.002","94.532","0.002","1083.94","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 N7 -","- C24 H22 N7 -","- C48 H44 N14 -","2","1","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.0669","0.0501","","","0.1227","0.1327","","","","","","1.03","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151715","34.582","0.002","10.1577","0.0006","8.339","0.0005","90","","92.891","0.001","90","","2925.5","0.3","295","2","295","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H32 N4 -","- C20 H32 N4 -","- C120 H192 N24 -","6","3","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.1034","0.0464","","","0.087","0.1043","","","","","","1.012","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151716","10.247","0.004","11.52","0.004","34.634","0.013","90","","102.208","0.007","90","","3996","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N5 -","- C24 H22 N5 -","- C192 H176 N40 -","8","2","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.1712","0.0859","","","0.1414","0.1612","","","","","","1.038","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151717","12.173","0.002","14.445","0.002","8.223","0.002","90","","103.46","0.02","90","","1406.2","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 I O3 -","- C17 H9 I O3 -","- C68 H36 I4 O12 -","4","1","","Raffa, Guillaume; Belot, Sébastien; Balme, Geneviève; Monteiro, Nuno","Iodocyclization versus diiodination in the reaction of 3-alkynyl-4-methoxycoumarins with iodine: Synthesis of 3-iodofuro[2,3-b]chromones.","Organic & biomolecular chemistry","2011","9","5","1474","1478","10.1039/C0OB00935K","","","0.7107","MoKα","","0.1292","0.0934","","0.3093","0.2532","0.3093","","","","","","0.9991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151718","18.6185","0.0003","14.0017","0.0003","14.1965","0.0003","90","","107.82","0.002","90","","3523.34","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 I2 O3 -","- C18 H12 I2 O3 -","- C144 H96 I16 O24 -","8","2","","Raffa, Guillaume; Belot, Sébastien; Balme, Geneviève; Monteiro, Nuno","Iodocyclization versus diiodination in the reaction of 3-alkynyl-4-methoxycoumarins with iodine: Synthesis of 3-iodofuro[2,3-b]chromones.","Organic & biomolecular chemistry","2011","9","5","1474","1478","10.1039/C0OB00935K","","","0.7107","MoKα","","0.0487","0.0343","","0.0755","0.0674","0.0755","","","","","","1.0021","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151719","10.27","0.003","11.202","0.003","18.897","0.006","90","","90","","90","","2174","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Liu, Tang-Lin; Xue, Zhi-Yong; Tao, Hai-Yan; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar cycloaddition of N-unprotected 2-oxoindolin-3-ylidene derivatives and azomethine ylides for the construction of spirooxindole-pyrrolidines.","Organic & biomolecular chemistry","2011","9","6","1980","1986","10.1039/C0OB00943A","","","0.71073","MoKα","","0.036","0.0309","","","0.0785","0.0822","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151720","16.012","0.01","11.932","0.007","19.682","0.012","90","","104.571","0.008","90","","3639","4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 F10 N5 O -","- C16 H9 F10 N5 O -","- C128 H72 F80 N40 O8 -","8","2","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.0815","0.0499","","","0.1123","0.1277","","","","","","1.022","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151721","14.5032","0.001","9.6882","0.0007","44.522","0.003","90","","90","","90","","6255.8","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H31 N5 O4 -","- C37 H31 N5 O4 -","- C296 H248 N40 O32 -","8","1","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.1005","0.0879","","","0.2308","0.2407","","","","","","1.161","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151722","6.8654","0.0013","34.567","0.006","7.138","0.0014","90","","98.565","0.004","90","","1675.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H22 F10 N5 O6 -","- C36 H22 F10 N5 O6 -","- C72 H44 F20 N10 O12 -","2","0.5","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.04","0.0334","","","0.0842","0.0889","","","","","","1.078","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151723","4.7615","0.0005","11.9406","0.0012","21.373","0.002","90","","93.296","0.002","90","","1213.2","0.2","100","","100","","","","","","","","diethylether,pentane","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin","Lewis acid-catalysed one pot synthesis of substituted xanthenes.","Organic & biomolecular chemistry","2011","9","6","1744","1748","10.1039/C0OB00954G","","","0.71073","Mo-Kα","","0.0566","0.0448","","","0.1263","0.1358","","","","","","1.037","","","","has coordinates","276358","2022-06-28","17:19:16",""
"7151724","7.3745","0.0019","8.763","0.003","10.395","0.002","99.79","0.02","110.27","0.02","98.47","0.03","605.3","0.3","100","","100","","","","","","","","Et2O, pentane","3","P -1","-P 1","2","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin","Lewis acid-catalysed one pot synthesis of substituted xanthenes.","Organic & biomolecular chemistry","2011","9","6","1744","1748","10.1039/C0OB00954G","","","0.71073","MoKα","","0.0618","0.0456","","","0.122","0.1339","","","","","","1.043","","","","has coordinates","276358","2022-06-28","17:19:16",""
"7151725","8.3831","0.001","11.7677","0.0015","15.012","0.0019","90","","90","","90","","1480.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Si -","- C20 H16 Si -","- C80 H64 Si4 -","4","1","","Tanikawa, Tomoharu; Saito, Masaichi; Guo, Jing Dong; Nagase, Shigeru","Synthesis, structures and optical properties of trisilasumanene and its related compounds.","Organic & biomolecular chemistry","2011","9","6","1731","1735","10.1039/C0OB00987C","","","0.71073","MoKα","","0.0406","0.0381","","","0.0978","0.1005","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151726","6.0046","0.0014","6.104","0.0014","12.099","0.003","90","","103.144","0.004","90","","431.84","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain","Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.","Organic & biomolecular chemistry","2011","9","6","1901","1907","10.1039/C0OB01019G","","","0.71073","MoKα","","0.036","0.0319","","","0.0832","0.0855","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151727","9.5861","0.001","14.757","0.0015","19.402","0.002","90","","90","","90","","2744.6","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Br2 N2 O4 -","- C30 H30 Br2 N2 O4 -","- C120 H120 Br8 N8 O16 -","4","1","","Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain","Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.","Organic & biomolecular chemistry","2011","9","6","1901","1907","10.1039/C0OB01019G","","","0.71073","MoKα","","0.1119","0.0652","","","0.1519","0.1826","","","","","","1.142","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151728","9.772","0.002","17.25","0.004","11.937","0.002","90","","97.6","0.03","90","","1994.5","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 Cl N O11 -","- C37 H52 Cl N O11 -","- C74 H104 Cl2 N2 O22 -","2","1","","Yu, Jipan; Miao, Zhiwei; Chen, Ruyu","Highly efficient asymmetric vinylogous Mannich reaction induced by O-pivaloylated d-galactosylamine as the chiral auxiliary.","Organic & biomolecular chemistry","2011","9","6","1756","1762","10.1039/C0OB01048K","","","0.71073","MoKα","","0.0655","0.0534","","","0.1276","0.1373","","","","","","1.017","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151729","7.5239","0.0004","13.8384","0.0008","22.5279","0.0014","90","","90","","90","","2345.6","0.2","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H18 N4 -","- C32 H18 N4 -","- C128 H72 N16 -","4","0.5","","Lin, Yi-Chun; Lin, Chih-Hsiu; Chen, Chan-Yu; Sun, Shih-Sheng; Pal, Bikash","Synthesis of electron deficient acene derivatives via a bidirectional iterative elongation reaction","Organic & Biomolecular Chemistry","2011","9","12","4507","","10.1039/c0ob00575d","","","0.71073","MoKα","","0.1515","0.049","","","0.1062","0.1486","","","","","","0.91","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151730","8.0678","0.0001","16.6957","0.0002","9.6537","0.0001","90","","99.437","0.001","90","","1282.73","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1,2-syn-2,3-anti-iodoalcohol","(1S,2S,3S)-1-(2',2',2'-trichloromethylcarbonylamino)-2-hydroxy-3-iodocyclohexane","","- C8 H11 Cl3 I N O2 -","- C8 H11 Cl3 I N O2 -","- C32 H44 Cl12 I4 N4 O8 -","4","2","","Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew","Stereoselective synthesis of polyhydroxylated aminocyclohexanes.","Organic & biomolecular chemistry","2011","9","8","2801","2808","10.1039/c0ob00619j","","","0.71073","MoKα","","0.0449","0.0313","","","","0.0585","","","","","","0.977","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151731","39.705","0.002","5.8312","0.0003","20.2162","0.0014","90","","91.296","0.002","90","","4679.4","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1S,2S,3S,4S)-1-(2?,2?,2?-trichloromethylcarbonylamino)-2,3,4- trihydroxycyclohexane ?","","- C8 H12 Cl3 N O4 -","- C8 H12 Cl3 N O4 -","- C128 H192 Cl48 N16 O64 -","16","4","","Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew","Stereoselective synthesis of polyhydroxylated aminocyclohexanes.","Organic & biomolecular chemistry","2011","9","8","2801","2808","10.1039/c0ob00619j","","","0.71073","MoKα","","0.1714","0.0752","","","","0.1434","","","","","","1.059","","","","has coordinates,has disorder","193998","2020-10-21","18:00:00",""
"7151732","9.4283","0.0016","10.252","0.002","14.872","0.004","77.695","0.017","79.25","0.017","71.711","0.014","1322.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Compound-24A","","","- C34 H30 N2 O -","- C34 H30 N2 O -","- C68 H60 N4 O2 -","2","1","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.0826","0.0517","","","0.1156","0.1313","","","","","","1.01","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151733","10.5806","0.0005","10.1271","0.0005","40.3707","0.0018","90","","90","","90","","4325.8","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Compound-66","","","- C24 H26 N4 O3 S -","- C24 H26 N4 O3 S -","- C192 H208 N32 O24 S8 -","8","2","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.05","0.0425","","","0.0916","0.095","","","","","","1.085","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151734","16.9209","0.0013","10.9678","0.0009","19.3539","0.0015","90","","114.309","0.001","90","","3273.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound-72","","","- C30 H35 Cl2 N7 O5 S2 -","- C30 H35 Cl2 N7 O5 S2 -","- C120 H140 Cl8 N28 O20 S8 -","4","1","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.056","0.0445","","","0.1164","0.1247","","","","","","1.027","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151735","8.3372","0.0004","10.931","0.0007","9.7141","0.0003","90","","94.165","0.003","90","","882.95","0.08","208","2","208","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.0537","0.0429","","0.1012","0.0959","0.1012","","","1.098","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151736","6.8264","0.0003","8.0831","0.0003","12.8838","0.0011","91.219","0.004","96.917","0.006","94.85","0.004","702.85","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C34 H28 O12 -","2","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.1218","0.1001","","0.3089","0.2932","0.3089","","","1.076","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151737","8.1223","0.0003","7.04","0.0005","13.0388","0.0003","90","","107.502","0.004","90","","711.06","0.06","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C34 H28 O12 -","2","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.0397","0.0341","","0.0797","0.077","0.0797","","","1.083","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151738","6.6845","0.0009","7.9964","0.001","26.937","0.003","90","","94.935","0.008","90","","1434.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C68 H56 O24 -","4","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.135","0.0793","","0.1847","0.1549","0.1847","","","1.185","","","1.185","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151739","8.558","0.0012","15.813","0.002","16.673","0.002","90","","98.473","0.005","90","","2231.7","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C96 H92 Br4 N8 O24 -","4","1","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.043","0.0317","","","0.0676","0.0707","","","","","","0.978","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151740","29.508","0.001","29.508","0.001","12.139","0.001","90","","90","","90","","10569.7","1","293","2","293","2","","","","","","","","5","P -4","P -4","81","","?(5S,6R)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C384 H368 Br16 N32 O96 -","16","4","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.0735","0.0446","","","0.0964","0.1038","","","","","","0.971","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151741","7.9953","0.0017","12.083","0.003","13.275","0.003","65.855","0.003","88.718","0.004","84.251","0.004","1164.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo(d)furo(3,2-b)azepine-2,3-dicarboxylate","5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5- (2-pyridyl)-5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C48 H46 Br2 N4 O12 -","2","1","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.0504","0.0352","","","0.0788","0.085","","","","","","1.018","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151742","5.4822","0.0004","8.8469","0.0006","24.9538","0.0017","90","","90","","90","","1210.27","0.15","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Nesbitt, Caroline L.; McErlean, Christopher S. P.","Total synthesis of C19 lipid diols containing a 2,5-disubstituted-3-oxygenated tetrahydrofuran.","Organic & biomolecular chemistry","2011","9","7","2198","2208","10.1039/c0ob00754d","","","0.71073","MoKα","","0.0334","0.0321","","","0.0895","0.0908","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151743","5.4962","0.001","14.702","0.003","14.657","0.003","90","","100.037","0.003","90","","1166.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 Br N O4 -","- C27 H22 Br N O4 -","- C54 H44 Br2 N2 O8 -","2","1","","Li, Wenjun; Wu, Wenbin; Yu, Feng; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing","Catalytic asymmetric Michael addition with curcumin derivative.","Organic & biomolecular chemistry","2011","9","7","2505","2511","10.1039/c0ob00757a","","","0.71073","MoKα","","0.0803","0.059","","","0.1375","0.1467","","","","","","0.938","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151744","7.0225","0.0008","7.3868","0.0008","13.8536","0.0015","90","","100.912","0.002","90","","705.65","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl O2 S -","- C4 H9 Cl O2 S -","- C16 H36 Cl4 O8 S4 -","4","1","","Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J","Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).","Organic & biomolecular chemistry","2011","9","8","2751","2759","10.1039/c0ob00770f","","","0.71073","MoKα","","0.0288","0.0269","","","0.0753","0.0768","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151745","7.3627","0.0009","9.589","0.0009","11.7822","0.0019","69.895","0.012","73.702","0.012","79.988","0.009","746.99","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N3 O9 S -","- C11 H13 N3 O9 S -","- C22 H26 N6 O18 S2 -","2","1","","Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J","Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).","Organic & biomolecular chemistry","2011","9","8","2751","2759","10.1039/c0ob00770f","","","1.54184","CuKα","","0.1143","0.0543","","","0.1045","0.12","","","","","","0.777","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151746","16.927","0.003","12.667","0.003","18.063","0.004","90","","90","","90","","3873","1.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H17 N2 O3 -","- C24 H17 N2 O3 -","- C192 H136 N16 O24 -","8","2","","Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi","Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.","Organic & biomolecular chemistry","2011","9","8","2702","2714","10.1039/c0ob00783h","","","0.71073","MoKα","","0.1151","0.057","","","0.1081","0.1233","","","","","","0.977","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151747","12.294","0.004","4.9467","0.0014","20.381","0.006","90","","101.322","0.004","90","","1215.3","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi","Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.","Organic & biomolecular chemistry","2011","9","8","2702","2714","10.1039/c0ob00783h","","","0.71073","MoKα","","0.0715","0.0453","","","0.0937","0.1044","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151748","13.0912","0.0007","13.0912","0.0007","23.1759","0.0012","90","","90","","90","","3971.9","0.4","150","2","150","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C176 H80 F64 N16 O16 -","16","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0336","0.0305","","","0.0824","0.0849","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151749","7.0016","0.0012","10.9436","0.0019","17.466","0.003","92.675","0.003","99.643","0.003","90.003","0.003","1317.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H16 Br3 F2 N S3 -","- C26.5 H16 Br3 F2 N S3 -","- C53 H32 Br6 F4 N2 S6 -","2","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0837","0.0547","","","0.1496","0.1632","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151750","7.223","0.0008","7.9584","0.0009","9.1866","0.001","100.979","0.002","97.143","0.002","113.863","0.002","462.01","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H4 F3 N S -","- C11 H4 F3 N S -","- C22 H8 F6 N2 S2 -","2","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0401","0.0343","","","0.0848","0.0881","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151751","6.198","0.002","6.525","0.002","15.416","0.005","90","","97.211","0.004","90","","618.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F2 O2 -","- C18 H8 F2 O2 -","- C36 H16 F4 O4 -","2","0.5","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.6942","synchrotron","","0.1365","0.0949","","","0.248","0.2902","","","","","","1.041","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151752","9.8845","0.0005","15.668","0.0008","10.3729","0.0005","90","","92.2845","0.0008","90","","1605.18","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br F3 S2 -","- C18 H8 Br F3 S2 -","- C72 H32 Br4 F12 S8 -","4","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.054","0.0378","","","0.0899","0.0976","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151753","15.1514","0.0009","12.9717","0.0008","8.1916","0.0005","90","","103.522","0.0009","90","","1565.34","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br F3 S2 -","- C18 H8 Br F3 S2 -","- C72 H32 Br4 F12 S8 -","4","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0522","0.0355","","","0.0922","0.1012","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151754","7.823","0.002","3.911","0.0012","21.623","0.007","90","","92.499","0.004","90","","660.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F2 S2 -","- C18 H8 F2 S2 -","- C36 H16 F4 S4 -","2","0.5","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0761","0.0559","","","0.1285","0.1366","","","","","","1.079","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151755","5.6949","0.0016","9.6545","0.0013","13.611","0.002","73.2","0.03","83.98","0.04","80.88","0.04","706","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O4 S -","- C14 H18 N2 O4 S -","- C28 H36 N4 O8 S2 -","2","1","","Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R.","Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles.","Organic & biomolecular chemistry","2011","9","7","2452","2472","10.1039/c0ob00805b","","","0.71075","MoKα","","0.0786","0.0683","","","0.175","0.1817","","","","","","1.132","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151756","5.3188","0.0018","12.594","0.004","29.209","0.01","90","","90","","90","","1956.6","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","","Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R.","Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles.","Organic & biomolecular chemistry","2011","9","7","2452","2472","10.1039/c0ob00805b","","","0.71073","MoKα","","0.1722","0.0701","","","0.1259","0.1613","","","","","","0.992","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151757","8.37","0.003","11","0.004","12.192","0.003","90","","90","","90","","1122.5","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H14 N2 O2 Se -","- C9 H14 N2 O2 Se -","- C36 H56 N8 O8 Se4 -","4","1","","Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K.","Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity.","Organic & biomolecular chemistry","2011","9","8","2992","2998","10.1039/c0ob00807a","","","0.71069","MoKα","","0.1054","0.04","","","0.0965","0.1178","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151758","13.2","0.005","11.169","0.005","7.993","0.004","90","","92.12","0.04","90","","1177.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O2 Se -","- C10 H16 N2 O2 Se -","- C40 H64 N8 O8 Se4 -","4","1","","Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K.","Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity.","Organic & biomolecular chemistry","2011","9","8","2992","2998","10.1039/c0ob00807a","","","0.71073","MoKα","","0.1006","0.0372","","","0.0775","0.0977","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151759","5.6366","0.0002","12.6433","0.0007","16.9777","0.0007","90","","90","","90","","1209.92","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Prasad, M. Shiva; Madhavachary, R.","A general approach to high-yielding asymmetric synthesis of chiral 3-alkyl-4-nitromethylchromans via cascade Barbas-Michael and acetalization reactions.","Organic & biomolecular chemistry","2011","9","8","2715","2721","10.1039/c0ob00861c","","","1.54184","CuKα","","0.094","0.092","","","0.2279","0.2354","","","","","","1.118","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151760","8.8274","0.0005","13.2339","0.0006","12.3855","0.0007","90","","103.267","0.006","90","","1408.27","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Blangetti, Marco; Deagostino, Annamaria; Gervasio, Giuliana; Marabello, Domenica; Prandi, Cristina; Venturello, Paolo","Superbase promoted synthesis of dienamides as useful intermediates for the synthesis of α-ketoamides, γ-lactams and cyclic imino ethers.","Organic & biomolecular chemistry","2011","9","7","2535","2538","10.1039/c0ob00867b","","","0.7107","MoKα","","0.105","0.0634","","","0.1687","0.1837","","","","","","1.054","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151761","14.0009","0.0006","8.4953","0.0003","26.87","0.0012","90","","97.115","0.004","90","","3171.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","2","","Blangetti, Marco; Deagostino, Annamaria; Gervasio, Giuliana; Marabello, Domenica; Prandi, Cristina; Venturello, Paolo","Superbase promoted synthesis of dienamides as useful intermediates for the synthesis of α-ketoamides, γ-lactams and cyclic imino ethers.","Organic & biomolecular chemistry","2011","9","7","2535","2538","10.1039/c0ob00867b","","","0.7107","MoKα","","0.2104","0.0427","","","0.0773","0.0848","","","","","","0.949","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151762","14.5941","0.0004","9.4049","0.0002","13.8121","0.0003","90","","91.949","0.002","90","","1894.7","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","0.71073","MoKα","","0.0976","0.0448","","","0.102","0.1191","","","","","","0.936","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151763","7.2818","0.0001","33.8728","0.0003","8.3252","0.0001","90","","104.148","0.001","90","","1991.17","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C84 H116 N4 O24 -","4","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","1.54184","CuKα","","0.0458","0.0424","","","0.1224","0.1248","","","","","","1.088","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151764","10.695","0.001","10.695","0.001","25.134","0.004","90","","90","","120","","2489.7","0.5","298","2","298","2","","","","","","","","4","P 61","P 61","169","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C114 H138 N6 O24 -","6","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","0.71073","MoKα","","0.1136","0.0446","","","0.0727","0.0846","","","","","","0.959","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151765","6.0988","0.0002","11.8551","0.0004","16.3205","0.0005","102.804","0.003","98.74","0.003","102.13","0.003","1100.31","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl N O5 -","- C25 H26 Cl N O5 -","- C50 H52 Cl2 N2 O10 -","2","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","1.54248","CuKα","","0.0511","0.0368","","","0.1013","0.1087","","","","","","1.042","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151766","10.834","0.01","12.591","0.012","13.097","0.012","90","","105.513","0.012","90","","1721","3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 B F2 N2 O -","- C19 H19 B F2 N2 O -","- C76 H76 B4 F8 N8 O4 -","4","1","","Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan","Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.","Organic & biomolecular chemistry","2011","9","10","3844","3853","10.1039/c0ob00910e","","","0.71073","MoKα","","0.1724","0.0683","","","0.158","0.2024","","","","","","0.916","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151767","16.6953","0.0006","17.6555","0.0007","17.3203","0.0006","90","","96.247","0.002","90","","5075.1","0.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 B F2 N4 O7 S -","- C25 H21 B F2 N4 O7 S -","- C200 H168 B8 F16 N32 O56 S8 -","8","2","","Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan","Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.","Organic & biomolecular chemistry","2011","9","10","3844","3853","10.1039/c0ob00910e","","","0.71073","MoKα","","0.0904","0.0567","","","0.1588","0.1737","","","","","","1.051","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151768","8.9837","0.0005","16.6227","0.001","17.0722","0.0009","95.666","0.004","95.646","0.004","94.209","0.004","2515.8","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 B F2 N4 O7 S -","- C25 H21 B F2 N4 O7 S -","- C100 H84 B4 F8 N16 O28 S4 -","4","2","","Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan","Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.","Organic & biomolecular chemistry","2011","9","10","3844","3853","10.1039/c0ob00910e","","","0.71073","MoKα","","0.1097","0.0613","","","0.1637","0.1913","","","","","","1.007","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151769","13.9348","0.0003","12.1131","0.0002","23.212","0.0005","90","","92.073","0.001","90","","3915.47","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl O4 P -","- C42 H48 Cl O4 P -","- C168 H192 Cl4 O16 P4 -","4","1","","Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei","A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2011","9","7","2098","2106","10.1039/c0ob00912a","","","0.71073","MoKα","","0.1092","0.0711","","","0.2109","0.2455","","","","","","1.1","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151770","7.7171","0.0003","12.5408","0.0005","17.2932","0.0007","90","","98.71","0.002","90","","1654.31","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br O -","- C22 H15 Br O -","- C88 H60 Br4 O4 -","4","1","","Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei","A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2011","9","7","2098","2106","10.1039/c0ob00912a","","","0.71073","MoKα","","0.0462","0.0344","","","0.0743","0.0781","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151771","8.4569","0.0002","21.6536","0.0007","10.4183","0.0003","90","","111.158","0.002","90","","1779.21","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 Br N O -","- C23 H14 Br N O -","- C92 H56 Br4 N4 O4 -","4","1","","Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei","A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2011","9","7","2098","2106","10.1039/c0ob00912a","","","0.71073","MoKα","","0.0402","0.0285","","","0.0627","0.0666","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151772","5.6695","0.0005","13.7791","0.0013","18.04","0.0017","90","","95.532","0.011","90","","1402.7","0.2","297","","297","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1075","0.0469","","","0.1047","0.1228","","","","","","0.788","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151773","6.2097","0.0007","13.1829","0.0014","15.2549","0.0018","90","","90.202","0.014","90","","1248.8","0.2","297","","297","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","2","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1263","0.0456","","","0.0793","0.0969","","","","","","0.781","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151774","6.7923","0.0007","11.6086","0.0014","20.037","0.003","90","","90","","90","","1579.9","0.3","297","","297","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1093","0.0439","","","0.0788","0.0946","","","","","","0.785","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151775","6.9797","0.0007","11.9507","0.0009","17.3512","0.0012","90","","90","","90","","1447.3","0.2","297","","297","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.0515","0.0415","","","0.1041","0.1087","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151776","17.9518","0.0003","8.62335","0.00015","9.25071","0.00015","90","","96.1609","0.0015","90","","1423.78","0.04","123","","123","","","","","","","","see text","3","C 1 2 1","C 2y","5","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","x-ray","1.54184","CuKα","","0.0298","0.0293","","","0.0815","0.0819","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151777","38.963","0.016","9.07","0.004","25.863","0.011","90","","130.953","0.005","90","","6903","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H33 N5 O3 -","- C45 H33 N5 O3 -","- C360 H264 N40 O24 -","8","1","","Akhigbe, Joshua; Peters, Gretchen; Zeller, Matthias; Brückner, Christian","Unexpected hydroxylamine-induced ring-closure reactions of meso-tetraphenylsecochlorin bisaldehyde.","Organic & biomolecular chemistry","2011","9","7","2306","2313","10.1039/c0ob00920b","","","0.71073","MoKα","","0.1951","0.0855","","","0.2202","0.2784","","","","","","0.961","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151778","6.334","0.002","10.352","0.003","12.149","0.004","94.288","0.005","99.895","0.005","101.107","0.005","765.2","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H29 N5 -","- C43.006 H29.006 N4.994 -","- C43.006 H29.006 N4.994 -","1","0.5","","Akhigbe, Joshua; Peters, Gretchen; Zeller, Matthias; Brückner, Christian","Unexpected hydroxylamine-induced ring-closure reactions of meso-tetraphenylsecochlorin bisaldehyde.","Organic & biomolecular chemistry","2011","9","7","2306","2313","10.1039/c0ob00920b","","","0.71073","MoKα","","0.1223","0.0615","","","0.1457","0.1625","","","","","","1.092","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151779","9.2025","0.0003","11.0726","0.0003","14.1584","0.0004","83.548","0.002","72.05","0.002","67.759","0.003","1270.33","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl3 N5 O3 -","- C25 H26 Cl3 N5 O3 -","- C50 H52 Cl6 N10 O6 -","2","1","","Wu, Wei-Bin; Chen, Shu-Han; Hou, Jin-Qiang; Tan, Jia-Heng; Ou, Tian-Miao; Huang, Shi-Liang; Li, Ding; Gu, Lian-Quan; Huang, Zhi-Shu","Disubstituted 2-phenyl-benzopyranopyrimidine derivatives as a new type of highly selective ligands for telomeric G-quadruplex DNA.","Organic & biomolecular chemistry","2011","9","8","2975","2986","10.1039/c0ob00921k","","","1.5418","CuKα","","0.0335","0.0308","","","0.086","0.0894","","","","","","0.931","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151780","8.886","0.0009","8.1987","0.0008","13.9274","0.0013","90","","101.873","0.002","90","","992.95","0.17","223.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl2 I K O6 -","- C12 H24 Cl2 I K O6 -","- C24 H48 Cl4 I2 K2 O12 -","2","0.5","","Mbatia, Hannah W.; Ulloa, Olbelina A.; Kennedy, Daniel P.; Incarvito, Christopher D.; Burdette, Shawn C.","Iodination of anilines and phenols with 18-crown-6 supported ICl2-.","Organic & biomolecular chemistry","2011","9","8","2987","2991","10.1039/c0ob00926a","","","0.71075","MoKα","","","0.0344","","","","0.06","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151781","7.8543","0.0006","9.3193","0.0007","10.5343","0.0006","95.589","0.004","110.786","0.002","95.62","0.004","710.15","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Br2 N4 O6 -","- C11.56 H15.15 Br0.8 N1.66 O2.52 -","- C23.12 H30.3 Br1.6 N3.32 O5.04 -","2","1","","Nour, Hany F.; Matei, Marius F.; Bassil, Bassem S.; Kortz, Ulrich; Kuhnert, Nikolai","Synthesis of tri-substituted biaryl based trianglimines: formation of C3-symmetrical and non-symmetrical regioisomers.","Organic & biomolecular chemistry","2011","9","9","3258","3271","10.1039/c0ob00944j","","","0.71073","MoKα","","0.0318","0.0274","","","0.0804","0.084","","","","","","1.003","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151782","9.102","0.002","18.341","0.005","32.012","0.008","90","","90","","90","","5344","2","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N3 O4.5 -","- C31 H32 N3 O4.5 -","- C248 H256 N24 O36 -","8","2","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.2333","0.1037","","","0.2595","0.3356","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151783","10.613","0.004","10.186","0.003","23.142","0.012","90","","91.9","0.04","90","","2500.4","1.8","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C29 H27 N3 O4 -","- C29 H27 N3 O4 -","- C116 H108 N12 O16 -","4","2","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.0968","0.0653","","","0.1386","0.158","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151784","9.727","0.003","9.727","0.003","25.904","0.032","90","","90","","90","","2451","3","294","2","294","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H14 N O2 -","- C15 H14 N O2 -","- C120 H112 N8 O16 -","8","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.1108","0.0542","","","0.1488","0.1717","","","","","","1.059","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151785","9.737","0.008","10.015","0.006","26.408","0.011","90","","90","","90","","2575","3","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.0894","0.0639","","","0.1898","0.2124","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151786","5.559","0.006","8.894","0.004","12.507","0.006","90","","92.64","0.06","90","","617.7","0.8","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.1612","0.063","","","0.1355","0.1654","","","","","","0.869","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151787","6.9698","0.0002","9.4671","0.0003","17.75","0.0004","90","","94.399","0.002","90","","1167.76","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3-tetraoxide monohydrate","2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide monohydrate","","- C10 H9 N O6 S2 -","- C10 H9 N O6 S2 -","- C40 H36 N4 O24 S8 -","4","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.0645","0.0552","","","0.1506","0.1599","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151788","14.1894","0.0003","7.1236","0.0002","18.0588","0.0004","90","","112.627","0.001","90","","1684.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3-tetraoxide ethyl acetate","2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide ethyl acetate","","- C14 H15 N O7 S2 -","- C14 H15 N O7 S2 -","- C56 H60 N4 O28 S8 -","4","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","1.54178","CuKα","","0.0515","0.0388","","","0.0992","0.1083","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151789","15.1983","0.0015","8.5889","0.0007","15.6813","0.0015","90","","95.42","0.01","90","","2037.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Z)-1,1,3,3-tetraoxidonaphtho(1,8-d,e)(1,3,2)dithiazin-2-yl N- (2-cyanopropan-2-yl)isobutyimidate","(Z)-1,1,3,3-tetraoxidonaphtho[1,8-d,e][1,3,2]dithiazin-2-yl N-(2-cyanopropan-2-yl)isobutyimidate","","- C18 H19 N3 O5 S2 -","- C18 H19 N3 O5 S2 -","- C72 H76 N12 O20 S8 -","4","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.0732","0.0476","","","0.1021","0.1069","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151790","12.0422","0.0014","13.3971","0.0013","21.306","0.003","72.268","0.007","81.717","0.004","74.535","0.007","3148.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-butyl-2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3- tetraoxide monohydrate","4-butyl-2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide monohydrate","","- C14 H17 N O6 S2 -","- C14 H17 N O6 S2 -","- C112 H136 N8 O48 S16 -","8","4","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.2695","0.1509","","","0.2496","0.3157","","","","","","1.094","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151791","7.2877","0.0003","8.168","0.0003","8.3571","0.0002","93.74","0.002","107.823","0.002","92.785","0.002","471.35","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","N-hydroxy-O-benzenedisulfonimide monohydrate","N-hydroxy-O-benzenedisulfonimide monohydrate","","- C6 H7 N O6 S2 -","- C6 H7 N O6 S2 -","- C12 H14 N2 O12 S4 -","2","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.0465","0.0391","","","0.0871","0.0918","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151792","10.8646","0.0011","12.0601","0.0011","20.4915","0.0018","90","","94.238","0.002","90","","2677.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl3 F3 N2 O3 S -","- C25 H24 Cl3 F3 N2 O3 S -","- C100 H96 Cl12 F12 N8 O12 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.0666","0.049","","","0.1024","0.1093","","","","","","1.061","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151793","17.6246","0.0014","12.9407","0.0011","20.1134","0.0017","90","","90","","90","","4587.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H23 F3 N2 O3 S -","- C24 H23 F3 N2 O3 S -","- C192 H184 F24 N16 O24 S8 -","8","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.1136","0.0837","","","0.203","0.2232","","","","","","1.029","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151794","10.9025","0.0011","13.0141","0.0013","13.1294","0.0014","90","","96.094","0.002","90","","1852.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 F3 N2 O3 S -","- C17 H23 F3 N2 O3 S -","- C68 H92 F12 N8 O12 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.0592","0.0464","","","0.1106","0.1176","","","","","","1.028","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151795","13.531","0.002","17.185","0.002","19.511","0.002","108.267","0.013","106.724","0.013","101.091","0.014","3921.8","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H79 Cl8 F9 N6 O9 S3 -","- C75 H79 Cl8 F9 N6 O9 S3 -","- C150 H158 Cl16 F18 N12 O18 S6 -","2","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","1.54184","CuKα","","0.0942","0.0613","","","0.1666","0.1843","","","","","","0.987","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151796","11.8166","0.0017","16.328","0.002","13.928","0.002","90","","102.356","0.003","90","","2625","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl3 F3 N2 O3 S -","- C24 H28 Cl3 F3 N2 O3 S -","- C96 H112 Cl12 F12 N8 O12 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.1243","0.0959","","","0.1528","0.1627","","","","","","1.242","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151797","8.6993","0.0017","10.744","0.002","11.593","0.002","75.65","0.03","74.28","0.03","86.28","0.03","1010.5","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl2 N4 O2 Zn -","- C21 H18 Cl2 N4 O2 Zn -","- C42 H36 Cl4 N8 O4 Zn2 -","2","1","","Chen, Maliang; Lv, Xin; Liu, Yunlong; Zhao, Yun; Liu, Jing; Wang, Pi; Guo, Wei","An 2-(2'-aminophenyl)benzoxazole-based OFF-ON fluorescent chemosensor for Zn2+ in aqueous solution.","Organic & biomolecular chemistry","2011","9","7","2345","2349","10.1039/c0ob00983k","","","0.71073","MoKα","","0.038","0.0319","","","0.0946","0.1052","","","","","","1.022","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151798","18.7761","0.0016","18.7761","0.0016","43.329","0.004","90","","90","","120","","13229","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H19 N O -","- C9 H19 N O -","- C486 H1026 N54 O54 -","54","3","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0781","0.042","","","0.0861","0.0993","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151799","10.989","0.002","15.262","0.003","16.648","0.004","90","","94.25","0.003","90","","2784.4","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 N3 O -","- C30 H43 N3 O -","- C120 H172 N12 O4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0695","0.0475","","","0.114","0.1271","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151800","11.903","0.0013","12.1631","0.0013","18.1","0.002","90","","93.642","0.001","90","","2615.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N O2 P -","- C29 H34 N O2 P -","- C116 H136 N4 O8 P4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0591","0.0419","","","0.1017","0.1133","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151801","10.2181","0.0007","19.3153","0.0014","19.5555","0.0014","90","","90","","90","","3859.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H62 N2 O -","- C42 H62 N2 O -","- C168 H248 N8 O4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0675","0.0438","","","0.0945","0.1026","","","","","","0.956","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151802","12.6312","0.0012","12.1657","0.0012","12.2949","0.0012","90","","109.24","0.002","90","","1783.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","1","","Liu, Yang; Huang, Liping; Xie, Fuchun; Chen, Xuxing; Hu, Youhong","Synthesis of novel functional polycyclic chromones through Michael addition and double cyclizations.","Organic & biomolecular chemistry","2011","9","8","2680","2684","10.1039/c0ob01000f","","","0.71073","MoKα","","0.0604","0.0502","","","0.1374","0.1443","","","","","","1.048","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151803","12.568","0.002","15.248","0.002","9.6494","0.0015","90","","98.182","0.003","90","","1830.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Liu, Yang; Huang, Liping; Xie, Fuchun; Chen, Xuxing; Hu, Youhong","Synthesis of novel functional polycyclic chromones through Michael addition and double cyclizations.","Organic & biomolecular chemistry","2011","9","8","2680","2684","10.1039/c0ob01000f","","","0.71073","MoKα","","0.1162","0.0568","","","0.1309","0.1479","","","","","","0.84","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151804","29.6523","0.001","17.5907","0.001","17.344","0.0007","90","","108.649","0.003","90","","8571.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl2 N4 S -","- C14 H10 Cl2 N4 S -","- C336 H240 Cl48 N96 S24 -","24","3","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.1132","0.0345","","","0.1011","0.1412","","","","","","0.947","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151805","10.7905","0.0004","7.483","0.0003","11.7242","0.0004","90","","108.708","0.002","90","","896.66","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl N5 -","- C7 H6 Cl N5 -","- C28 H24 Cl4 N20 -","4","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.0726","0.0547","","","0.1932","0.2112","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151806","7.3229","0.0002","9.8303","0.0003","10.161","0.0003","81.772","0.002","70.996","0.002","76.86","0.002","671.58","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 Cl2 N5 -","- C13 H9 Cl2 N5 -","- C26 H18 Cl4 N10 -","2","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.0472","0.0406","","","0.1172","0.1242","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151807","10.836","0.0004","16.3772","0.0006","7.6105","0.0003","90","","107.28","0.002","90","","1289.63","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 O -","- C14 H13 N5 O -","- C56 H52 N20 O4 -","4","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.0672","0.0442","","","0.1203","0.1327","","","","","","0.953","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151808","29.6523","0.001","5.863","0.0003","17.344","0.0007","90","","108.649","0.003","90","","2857","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl2 N4 S -","- C14 H10 Cl2 N4 S -","- C112 H80 Cl16 N32 S8 -","8","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.04","0.0319","","","0.0735","0.0778","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151809","5.1057","0.0005","10.2051","0.0012","40.956","0.004","90","","90","","90","","2134","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl-2-(2-(tert-butoxycarbonylamino)-3-methylbutanamido)-3-phenylpropanoate","","","- C20 H30 N2 O5 -","- C20 H30 N2 O5 -","- C80 H120 N8 O20 -","4","1","","Maity, Sibaprasad; Kumar, Pankaj; Haldar, Debasish","An amyloid-like fibril-forming supramolecular cross-β-structure of a model peptide: a crystallographic insight.","Organic & biomolecular chemistry","2011","9","10","3787","3791","10.1039/c0ob01033b","","","0.71073","MoKα","","0.0694","0.0453","","","0.1091","0.1315","","","","","","0.938","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151810","13.0021","0.0013","7.2565","0.0007","14.3625","0.0015","90","","111.335","0.001","90","","1262.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(E)-(2-chloro-3,4-dimethylpenta-1,3-dienyl)benzene","(E)-(2-chloro-3,4-dimethylpenta-1,3-dienyl)benzene","","- C13 H14 Cl N O2 -","- C12.5 H14 Cl N O2 -","- C50 H56 Cl4 N4 O8 -","4","1","","Gallego, Gary; Ariafard, Alireza; Tran, Kiet; Sandoval, David; Choi, Leera; Chen, Yi-Hsun; Yates, Brian F.; Tao, Fu-Ming; Hyland, Christopher J. T.","Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes.","Organic & biomolecular chemistry","2011","9","9","3359","3363","10.1039/c0ob01046d","","","0.71073","MoKα","","0.0866","0.0758","","","0.223","0.2348","","","","","","1.083","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151811","5.4217","0.0002","20.2401","0.0009","40.725","0.0017","90","","91.593","0.001","90","","4467.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-((R)-2-chloro-2-phenylethyl)-5-(2-hydroxy-1-methoxyethyl)-N- -(4-methoxyphenethyl)-1H-pyrazolo[3,4-b]pyridin-4-amine","","- C25 H25 Cl N4 O3 -","- C25 H25 Cl N4 O3 -","- C200 H200 Cl8 N32 O24 -","8","4","","Tuccinardi, Tiziano; Zizzari, Alessandra Tania; Brullo, Chiara; Daniele, Simona; Musumeci, Francesca; Schenone, Silvia; Trincavelli, Maria Letizia; Martini, Claudia; Martinelli, Adriano; Giorgi, Gianluca; Botta, Maurizio","Substituted pyrazolo[3,4-b]pyridines as human A1 adenosine antagonists: Developments in understanding the receptor stereoselectivity","Organic & Biomolecular Chemistry","2011","9","12","4448","","10.1039/c0ob01064b","","","0.71073","MoKα","","0.2048","0.1084","","","0.1798","0.2254","","","","","","1.078","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151812","10.4285","0.0015","12.4428","0.0015","14.7188","0.0015","86.41","0.003","72.131","0.002","86.886","0.003","1813","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H49 N O3 Si -","- C42 H49 N O3 Si -","- C84 H98 N2 O6 Si2 -","2","1","","Findley, Thomas J. K.; Sucunza, David; Miller, Laura C.; Helm, Matthew D.; Helliwell, Madeleine; Davies, David T.; Procter, David J.","A stereoselective, Sm(II)-mediated approach to decorated cis-hydrindanes: synthetic studies on faurinone and pleuromutilin.","Organic & biomolecular chemistry","2011","9","7","2433","2451","10.1039/c0ob01086c","","","0.71073","MoKα","","0.2302","0.0756","","","0.1387","0.1795","","","","","","0.775","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151813","11.96","0.002","16.344","0.003","7.655","0.002","90","","109.03","0.03","90","","1414.6","0.6","198","2","198","2","","","","","","","synthesis","4","C 1 c 1","C -2yc","9","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Gruner, Konstanze K.; Hopfmann, Thomas; Matsumoto, Kazuhiro; Jäger, Anne; Katsuki, Tsutomu; Knölker, Hans-Joachim","Efficient iron-mediated approach to pyrano[3,2-a]carbazole alkaloids‒first total syntheses of O-methylmurrayamine A and 7-methoxymurrayacine, first asymmetric synthesis and assignment of the absolute configuration of (-)-trans-dihydroxygirinimbine.","Organic & biomolecular chemistry","2011","9","7","2057","2061","10.1039/c0ob01088j","","x-ray","0.71073","MoKα","","0.0593","0.0375","","","0.0747","0.0811","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151814","11.5224","0.0012","11.6757","0.0014","12.5624","0.0015","90","","90","","90","","1690","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H25 I O2 Si -","- C13 H25 I O2 Si -","- C52 H100 I4 O8 Si4 -","4","1","","Qi, Xian-Liang; Zhang, Jun-Tao; Feng, Jian-Peng; Cao, Xiao-Ping","Total synthesis and absolute configuration of malyngamide W.","Organic & biomolecular chemistry","2011","9","10","3817","3824","10.1039/c0ob01118e","","","0.71073","MoKα","","0.0368","0.0295","","","0.0669","0.0702","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151815","6.7967","0.0002","12.1325","0.0003","12.4682","0.0003","69.546","0.001","81.774","0.001","85.665","0.001","953.04","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Methyl 6-(3-nitrophenyl)-1,2,6,7-tetrahydroindolo(1,7-ab)(1,5)benzodiazepine-9-carboxylate","Methyl 6-(3-nitrophenyl)-1,2,6,7-tetrahydroindolo[1,7-ab][1,5]benzodiazepine-9-carboxylate","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C46 H38 N6 O8 -","2","1","","Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming","Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.","Organic & biomolecular chemistry","2011","9","8","2925","2937","10.1039/c0ob01126f","","","0.71073","MoKα","","0.0547","0.044","","","0.1376","0.1587","","","","","","1.055","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151816","10.1275","0.0004","19.1023","0.0007","8.0831","0.0003","90","","106.182","0.001","90","","1501.79","0.1","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Methyl 6,6-dimethyl-5,6-dihydroindolo(1,2-a)quinoxaline-3-carboxylate","Methyl 6,6-dimethyl-5,6-dihydroindolo[1,2-a]quinoxaline-3-carboxylate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","2","","Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming","Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.","Organic & biomolecular chemistry","2011","9","8","2925","2937","10.1039/c0ob01126f","","","0.71073","MoKα","","0.0344","0.0318","","","0.0912","0.1044","","","","","","1.15","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151817","6.6572","0.0009","9.8399","0.0008","12.3209","0.0015","102.795","0.008","99.112","0.011","105.356","0.009","738.47","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E","Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the ""rule of five"".","Organic & biomolecular chemistry","2011","9","8","2959","2968","10.1039/c0ob01131b","","","0.71073","MoKα","","0.1289","0.0513","","","0.1022","0.1254","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151818","6.6266","0.0007","10.1023","0.001","12.3043","0.0011","90.769","0.008","96.613","0.01","103.792","0.008","793.91","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E","Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the ""rule of five"".","Organic & biomolecular chemistry","2011","9","8","2959","2968","10.1039/c0ob01131b","","","0.71073","MoKα","","0.0523","0.0373","","","0.0919","0.1003","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151819","6.121","0.006","10.219","0.003","12.1028","0.0018","80.995","0.017","83.01","0.03","82.18","0.05","736.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E","Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the ""rule of five"".","Organic & biomolecular chemistry","2011","9","8","2959","2968","10.1039/c0ob01131b","","","0.71073","MoKα","","0.1294","0.0527","","","0.1029","0.1273","","","","","","1.033","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151820","17.683","0.004","10.819","0.002","10.206","0.002","90","","114.81","0.03","90","","1772.3","0.8","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.0905","0.0698","","","0.1715","0.1823","","","","","","1.017","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151821","14.3688","0.0008","7.7163","0.0004","18.1469","0.0011","90","","111.567","0.002","90","","1871.15","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.1399","0.0521","","","0.1209","0.1338","","","","","","0.673","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151822","6.0368","0.0012","13.398","0.003","29.789","0.006","90","","90","","90","","2409.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C112 H116 N4 O12 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.0698","0.0436","","","0.1095","0.1307","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151823","10.4109","0.0005","11.0028","0.0004","11.3302","0.0005","106.305","0.002","94.754","0.002","103.828","0.002","1193.8","0.09","302","","302","","","","","","","","","4","P 1","P 1","1","","Cbz-(Leu-Leu-Aib)2-OMe","","- C41 H68 N6 O9 -","- C41 H68 N6 O9 -","- C41 H68 N6 O9 -","1","1","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.0534","0.0434","","","0.087","0.0905","","","","","","1.576","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151824","11.5605","0.0012","45.42","0.005","15.286","0.0016","90","","95.515","0.002","90","","7989.2","1.5","100","2","100","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Boc-(Leu-Leu-RR)3-OMe","Boc-(Leu-Leu-RR)3-OMe","","- C133 H248 N18 O42 -","- C133 H248 N18 O42 -","- C266 H496 N36 O84 -","2","1","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.097","0.0859","","","0.237","0.2503","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151825","12.9034","0.0012","14.8243","0.0013","16.6694","0.0015","104.879","0.001","93.483","0.002","112.918","0.001","2791.8","0.4","200","2","200","2","","","","","","","synthesis","4","P 1","P 1","1","","Cbz-[Leu-Leu-(S,S)-Ac5cdOM]2-OMe","","- C49.5 H83 N6 O14 -","- C49.5 H83 N6 O14 -","- C99 H166 N12 O28 -","2","2","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.0574","0.0522","","","0.1427","0.1493","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151826","15.4487","0.0014","44.175","0.004","21.6774","0.0019","90","","96.234","0.002","90","","14706","2","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-(Leu-Leu-Acp)3-OMe","","- C60.5 H109.5 N9 O13.75 -","- C60.5 H109.5 N9 O13.75 -","- C484 H876 N72 O110 -","8","4","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.1191","0.0962","","","0.2635","0.2857","","","","","","1.096","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151827","11.2484","0.0009","8.5765","0.0005","12.9938","0.0009","90","","105.921","0.003","90","","1205.45","0.15","120.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean","Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.","Organic & biomolecular chemistry","2011","9","9","3447","3456","10.1039/c0ob01152e","","","0.7107","MoKα","","","0.0364","","","","0.0452","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151828","8.5532","0.0017","18.428","0.005","8.108","0.0017","93.05","0.02","118.249","0.014","94.88","0.02","1115.3","0.5","296.1","","296.1","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","2","","Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean","Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.","Organic & biomolecular chemistry","2011","9","9","3447","3456","10.1039/c0ob01152e","","","0.71069","MoKα","","","0.0448","","","","0.0563","","","","","","1.127","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151829","8.3858","0.0002","8.9432","0.0004","16.6524","0.0014","82.616","0.011","76.245","0.009","83.941","0.014","1199.33","0.13","120.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","2","","Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean","Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.","Organic & biomolecular chemistry","2011","9","9","3447","3456","10.1039/c0ob01152e","","","0.7107","MoKα","","","0.0442","","","","0.0555","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151830","5.805","0.004","10.234","0.006","13.495","0.008","69.524","0.007","88.465","0.014","89.34","0.013","750.8","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C34 H34 N2 O4 S2 -","2","1","","Rao, R. Mohan; Reddy, Upendar C. H.; Alinakhi,; Mulakayala, Naveen; Alvala, Mallika; Arunasree, M. K.; Poondra, Rajamohan R.; Iqbal, Javed; Pal, Manojit","Sequential coupling/desilylation-coupling/cyclization in a single pot under Pd/C-Cu catalysis: synthesis of 2-(hetero)aryl indoles.","Organic & biomolecular chemistry","2011","9","10","3808","3816","10.1039/c0ob01161d","","","0.7107","MoKα","","","0.0574","","","","0.0603","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151831","6.0736","0.0003","11.6934","0.0005","17.749","0.0009","74.4693","0.0012","86.7204","0.0013","73.3481","0.0013","1163.33","0.1","103.1","","103.1","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cl2 N Se2 -","- C27 H17 Cl2 N Se2 -","- C54 H34 Cl4 N2 Se4 -","2","1","","Mitamura, Takenori; Iwata, Kimiyo; Nomoto, Akihiro; Ogawa, Akiya","Photochemical intramolecular cyclization of o-alkynylaryl isocyanides with organic dichalcogenides leading to 2,4-bischalcogenated quinolines.","Organic & biomolecular chemistry","2011","9","10","3768","3775","10.1039/c0ob01168a","","","0.71075","MoKα","","","0.0582","","","","0.1941","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151832","6.3831","0.0014","7.837","0.003","15.41","0.003","90","","90.91","0.03","90","","770.8","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C28 H28 N8 O14 -","2","1","","Goeschen, Catrin; Wibowo, Natalia; White, Jonathan M.; Wille, Uta","Damage of aromatic amino acids by the atmospheric free radical oxidant NO3˙ in the presence of NO2˙, N2O4, O3 and O2.","Organic & biomolecular chemistry","2011","9","9","3380","3385","10.1039/c0ob01186j","","","1.54184","CuKα","","0.2038","0.057","","","0.062","0.0838","","","","","","0.615","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151833","9.5128","0.0008","7.9036","0.0007","12.3434","0.001","90","","109.552","0.001","90","","874.53","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C42 H52 O6 -","2","1","","Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao","Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.","Organic & biomolecular chemistry","2011","9","9","3176","3179","10.1039/c0ob01239d","","","0.71073","MoKα","","0.0493","0.0472","","","0.1288","0.1314","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151834","9.3443","0.0007","11.4954","0.0008","16.1665","0.0011","90","","90","","90","","1736.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao","Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.","Organic & biomolecular chemistry","2011","9","9","3176","3179","10.1039/c0ob01239d","","","0.71073","MoKα","","0.041","0.039","","","0.1035","0.1055","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151835","6.1705","0.0007","7.7879","0.0008","18.703","0.003","90","","94.971","0.007","90","","895.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12.67 H12 N O2 S -","- C12 H12 N1.33333 O2.66667 S1.33333 -","- C36 H36 N4 O8 S4 -","3","0.75","","Dhara, Kalyan; Paladhi, Sushovan; Midya, Ganesh Chandra; Dash, Jyotirmayee","Synthesis of spirocyclic thiazolidinediones using ring-closing metathesis and one-pot sequential ring-closing/cross metathesis.","Organic & biomolecular chemistry","2011","9","10","3801","3807","10.1039/c0ob01248c","","","0.71073","MoKα","","0.0565","0.039","","","0.103","0.1138","","","","","","1.044","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151836","13.741","0.004","6.0599","0.0016","17.805","0.005","90","","109.656","0.003","90","","1396.2","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Hu, Jie; Liu, Lei; Yang, Shangdong; Liang, Yong-Min","Phase-transfer-catalyzed cyclization reaction of nucleophilic addition to electron-deficient 1,3-conjugated enynes for the synthesis of functionalized 4H-pyrans.","Organic & biomolecular chemistry","2011","9","9","3375","3379","10.1039/c0ob01255f","","","0.71073","MoKα","","0.1041","0.0563","","","0.1282","0.1552","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151837","9.0854","0.0018","13.43","0.003","13.56","0.003","96.34","0.03","107.73","0.03","102.33","0.03","1512","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 O P -","- C36 H32 O P -","- C72 H64 O2 P2 -","2","1","","Cinar, Mehmet Emin; Vavilala, Chandrasekhar; Fan, Jian; Schmittel, Michael","The thermal C2-C6/[2 + 2] cyclisation of enyne-allenes: reversible diradical formation.","Organic & biomolecular chemistry","2011","9","10","3776","3779","10.1039/c0ob01275k","","","0.71073","MoKα","","0.175","0.0501","","","0.1118","0.1455","","","","","","0.723","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151838","10.5465","0.0015","13.646","0.002","14.694","0.002","90","","90","","90","","2114.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O3 -","- C23 H22 Br N O3 -","- C92 H88 Br4 N4 O12 -","4","1","","Yang, Yuan-Liang; Pei, Cheng-Kui; Shi, Min","Multifunctional chiral phosphines-catalyzed highly diastereoselective and enantioselective substitution of Morita-Baylis-Hillman adducts with oxazolones.","Organic & biomolecular chemistry","2011","9","9","3349","3358","10.1039/c1ob00017a","","","0.71073","MoKα","","0.0961","0.0406","","","0.0835","0.0952","","","","","","0.903","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151839","27.513","0.003","12.2721","0.0011","12.3143","0.0011","90","","90","","90","","4157.8","0.7","297","2","297","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C156 H108 N24 O12 -","6","1.5","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.1438","0.0844","","","0.2112","0.2554","","","","","","1.125","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151840","9.261","0.0003","16.4271","0.0005","19.8316","0.0004","90","","90","","90","","3017.01","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N5 O5 -","- C33 H33 N5 O5 -","- C132 H132 N20 O20 -","4","1","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.0694","0.0624","","","0.1703","0.1774","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151841","11.95","0.002","11.95","0.002","21.08","0.006","90","","90","","90","","3010.3","1.1","297","2","297","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C104 H72 N16 O8 -","4","1","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.0838","0.077","","","0.2107","0.2197","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151842","5.8677","0.0008","12.9406","0.0018","14.433","0.002","90","","94.076","0.002","90","","1093.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F2 N O2 -","- C12 H11 F2 N O2 -","- C48 H44 F8 N4 O8 -","4","1","","Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa","A cascade process for the synthesis of gem-difluoromethylene compounds.","Organic & biomolecular chemistry","2011","9","10","3878","3885","10.1039/c1ob00027f","","","0.71073","MoKα","","0.0668","0.05","","","0.1327","0.1407","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151843","4.7575","0.0002","9.8672","0.0004","16.6178","0.0006","90","","92.21","0.002","90","","779.51","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 Br O -","- C17 H21 Br O -","- C34 H42 Br2 O2 -","2","1","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0605","0.0525","","","0.1308","0.1449","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151844","9.8247","0.0005","11.1954","0.0006","16.1562","0.0009","101.883","0.003","95.733","0.003","91.65","0.003","1728.04","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 O4 S -","- C19 H20 O4 S -","- C76 H80 O16 S4 -","4","2","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0798","0.0514","","","0.1409","0.1578","","","","","","1.007","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151845","11.6207","0.0012","19.274","0.002","16.3163","0.0015","90","","100.451","0.007","90","","3593.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C152 H160 N16 O32 -","8","2","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0988","0.0522","","","0.118","0.1411","","","","","","1.003","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151846","4.093","0.0008","5.6694","0.0011","28.901","0.006","90","","91.42","0.03","90","","670.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br2 F2 O2 -","- C14 H8 Br2 F2 O2 -","- C28 H16 Br4 F4 O4 -","2","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.0356","0.0315","","","0.0663","0.0688","","","","","","1.118","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151847","12.711","0.003","4.8861","0.001","11.507","0.002","90","","96.33","0.03","90","","710.3","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br2 F3 O2 -","- C14 H9 Br2 F3 O2 -","- C28 H18 Br4 F6 O4 -","2","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.0346","0.0325","","","0.0833","0.0851","","","","","","1.148","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151848","10.434","0.002","7.7903","0.0016","17.852","0.004","90","","90","","90","","1451.1","0.5","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F2 O4 -","- C16 H14 F2 O4 -","- C64 H56 F8 O16 -","4","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.1011","0.0875","","","0.2396","0.2567","","","","","","1.086","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151849","12.696","0.002","12.411","0.002","20.491","0.004","90","","103.912","0.009","90","","3134.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N10 O7 S -","- C30 H32 N10 O7 S -","- C120 H128 N40 O28 S4 -","4","1","","Pramanik, Avijit; Thompson, Bethtrice; Hayes, Trina; Tucker, Kimberly; Powell, Douglas R.; Bonnesen, Peter V.; Ellis, Erick D.; Lee, Ken S.; Yu, Hongtao; Hossain, Md. Alamgir","Seven-coordinate anion complex with a tren-based urea: Binding discrepancy of hydrogen sulfate in solid and solution states","Organic & Biomolecular Chemistry","2011","9","12","4444","","10.1039/c1ob05052d","","","0.71073","MoKα","","0.1064","0.0587","","","0.1188","0.1367","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151850","8.7312","0.0011","12.84","0.0017","13.682","0.0018","91.989","0.003","107.888","0.002","100.753","0.002","1427.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N10 O3 -","- C30 H30 N10 O3 -","- C60 H60 N20 O6 -","2","1","","Pramanik, Avijit; Thompson, Bethtrice; Hayes, Trina; Tucker, Kimberly; Powell, Douglas R.; Bonnesen, Peter V.; Ellis, Erick D.; Lee, Ken S.; Yu, Hongtao; Hossain, Md. Alamgir","Seven-coordinate anion complex with a tren-based urea: Binding discrepancy of hydrogen sulfate in solid and solution states","Organic & Biomolecular Chemistry","2011","9","12","4444","","10.1039/c1ob05052d","","","0.71073","MoKα","","0.0699","0.0495","","","0.1166","0.1273","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151851","8.8268","0.0018","8.9764","0.0018","16.501","0.003","99.27","0.03","96.72","0.03","118.09","0.03","1110.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C48 H52 N12 -","4","2","","Zheng, Zisheng; Tang, Lina; Fan, Yanfeng; Qi, Xiuxiang; Du, Yunfei; Zhang-Negrerie, Daisy","Oxidative aromatic C-N bond formation: convenient synthesis of N-amino-3-nitrile-indoles via FeBr3-mediated intramolecular cyclization.","Organic & biomolecular chemistry","2011","9","10","3714","3725","10.1039/c1ob05069a","","","0.71073","MoKα","","0.1123","0.0535","","","0.1461","0.21","","","","","","1.069","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151852","12.9167","0.0017","9.8437","0.0013","13.3798","0.0017","90","","107.208","0.002","90","","1625.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Han, Xingchun; Jiang, Liqing; Tang, Min; Hu, Wenhao","Diastereoselective three-component reactions of aryldiazoacetates with alcohols/water and alkynals: application to substituted enelactones.","Organic & biomolecular chemistry","2011","9","10","3839","3843","10.1039/c1ob05076a","","","0.71073","MoKα","","0.0668","0.0443","","","0.0955","0.1038","","","","","","0.93","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151853","10.4347","0.0008","15.9131","0.0012","14.1048","0.001","90","","109.487","0.001","90","","2207.9","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","Han, Xingchun; Jiang, Liqing; Tang, Min; Hu, Wenhao","Diastereoselective three-component reactions of aryldiazoacetates with alcohols/water and alkynals: application to substituted enelactones.","Organic & biomolecular chemistry","2011","9","10","3839","3843","10.1039/c1ob05076a","","","0.71073","MoKα","","0.0483","0.0448","","","0.1267","0.1299","","","","","","1.057","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151854","11.5596","0.0006","9.9041","0.0005","13.9757","0.0007","90","","91.254","0.004","90","","1599.66","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl N -","- C21 H16 Cl N -","- C84 H64 Cl4 N4 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","0.71073","MoKα","","0.0458","0.0383","","","0.0922","0.0957","","","","","","1.054","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151855","10.071","0.0002","25.9843","0.0005","17.0032","0.0003","90","","104.46","0.01","90","","4308.6","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl (1RS,2RS,3RS,13bRS)-3-phenyl-2,3,9,13b-tetrahydro-1H -dibenzo[c,f]pyrrolo[1,2-a]azepine-1,2-dicarboxylate","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C216 H200 N8 O32 -","8","2","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","0.71073","MOKα","","0.0965","0.0458","","","0.0851","0.0949","","","","","","0.988","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151856","36.9379","0.0014","28.7704","0.0011","15.802","0.0006","90","","113.74","0.01","90","","15372.1","1.6","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1RS,2SR,3SR,13bRS)-3-Phenyl-2,3,9,13b-tetrahydro-1H-dibenzo[c,f]pyrrolo [1,2-a]azepine-1,2-dicarbonitrile","","- C25.06 H19.13 Cl0.13 N3 -","- C25.0625 H19.125 Cl0.125 N3 -","- C802 H612 Cl4 N96 -","32","4","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","0.71073","MOKα","","0.1394","0.0606","","","0.1357","0.1546","","","","","","0.95","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151857","12.6196","0.0002","5.8517","0.0001","12.6336","0.0002","90","","99.29","0.01","90","","920.71","0.04","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1RS,2RS,3SR,13bRS)-3-Phenyl-2,3,9,13b-tetrahydro-1H- dibenzo[c,f]pyrrolo[1,2-a]azepine-1,2-dicarbonitrile","","- C25 H19 N3 -","- C25 H19 N3 -","- C50 H38 N6 -","2","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","1.54188","CuKα","","0.0355","0.0331","","","0.0805","0.0822","","","","","","1.066","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151858","10.6905","0.0002","7.6706","0.0001","29.1159","0.0004","90","","90.142","0.001","90","","2387.57","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aRS,3bRS,14SR,14aSR)-14-(4-Chlorophenyl)-2-phenyl-3b,8,14,14a- tetrahydro-dibenzo[c,f]pyrrolo[3',4':3,4]pyrrolo[1,2-a]azepine- 1,3(2H,3aH)-dione","","- C31 H23 Cl N2 O2 -","- C31 H23 Cl N2 O2 -","- C124 H92 Cl4 N8 O8 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","1.54188","CUKα","","0.0525","0.0426","","","0.113","0.1178","","","","","","1.042","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151859","10.1977","0.0015","16.971","0.003","11.0473","0.0017","90","","113.378","0.01","90","","1754.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Sun, Fang-gang; Ye, Song","N-heterocyclic carbene-catalyzed [4 + 1] annulation of phthalaldehyde and imines.","Organic & biomolecular chemistry","2011","9","10","3632","3635","10.1039/c1ob05092c","","","1.54186","CuKα","","0.0441","0.0371","","","0.0962","0.0994","","","","","","1.071","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151860","5.9224","0.0002","11.4859","0.0004","17.6998","0.0005","90","","90","","90","","1204.01","0.07","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver","Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.","Organic & biomolecular chemistry","2011","9","9","3146","3150","10.1039/c1ob05113j","","x-ray","1.54184","CuKα","","0.0296","0.0292","","","0.0746","0.0749","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151861","7.8226","0.0002","10.0497","0.0002","9.1628","0.0002","90","","102.925","0.002","90","","702.08","0.03","123","","123","","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C26 H40 O14 -","2","1","","Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver","Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.","Organic & biomolecular chemistry","2011","9","9","3146","3150","10.1039/c1ob05113j","","x-ray","1.54184","CuKα","","0.0289","0.0282","","","0.0739","0.0742","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151862","10.838","0.001","7.683","0.001","12.432","0.001","90","","97.66","0.01","90","","1025.95","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rac-(2S,4S,6S)-2-methyl-2,3,4,6-tetrahydro-1H-2,6- methanobenzo(c)-(1,5)oxazocin-4-ol","rac-(2S,4S,6S)-2-methyl-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c]- [1,5]oxazocin-4-ol","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Bourcet, Emmanuel; Bröhmer, Manuel C; Nieger, Martin; Bräse, Stefan","Synthetic studies towards marmycins A and B: development of the vinylogous aldol-aza-Michael domino reaction.","Organic & biomolecular chemistry","2011","9","9","3136","3138","10.1039/c1ob05124e","","","0.71073","MoKα","","0.0503","0.0394","","","0.0916","0.0977","","","","","","1.036","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151863","7.5344","0.0006","22.298","0.0013","7.2117","0.0007","90","","114.172","0.007","90","","1105.35","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-(2S,4S,6S)-2,10-dimethyl-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c]- [1,5]oxazocin-4-ol","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Bourcet, Emmanuel; Bröhmer, Manuel C; Nieger, Martin; Bräse, Stefan","Synthetic studies towards marmycins A and B: development of the vinylogous aldol-aza-Michael domino reaction.","Organic & biomolecular chemistry","2011","9","9","3136","3138","10.1039/c1ob05124e","","","0.71073","MoKα","","0.0438","0.0403","","","0.1004","0.1033","","","","","","1.078","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151864","8.6252","0.0003","8.6773","0.0003","43.7286","0.0016","90","","90","","90","","3272.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br Fe O7 -","- C14 H13 Br Fe O7 -","- C112 H104 Br8 Fe8 O56 -","8","2","","Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.","Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.","Organic & biomolecular chemistry","2011","9","10","3920","3928","10.1039/c1ob05131h","","","0.71073","MoKα","","0.0677","0.0437","","","0.0788","0.086","","","","","","1.063","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151865","27.8075","0.0004","27.8075","0.0004","6.4708","0.0001","90","","90","","120","","4333.24","0.11","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H18 Br N3 O6 -","- C19 H18 Br N3 O6 -","- C114 H108 Br6 N18 O36 -","6","1","","Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.","Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.","Organic & biomolecular chemistry","2011","9","10","3920","3928","10.1039/c1ob05131h","","","1.54184","CuKα","","0.0418","0.0379","","","0.085","0.0864","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151866","9.1431","0.001","9.1984","0.0011","21.398","0.003","98.89","0.002","92.687","0.002","95.661","0.002","1765.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O3 S -","- C15 H19 F3 N2 O3 S -","- C60 H76 F12 N8 O12 S4 -","4","2","","Zhang, Fan; Liu, Zhen-Jiang; Liu, Jin-Tao","Asymmetric aza-Henry reaction of chiral fluoroalkyl α,β-unsaturated N-tert-butanesulfinyl ketoimines: an efficient approach to enantiopure fluoroalkylated α,β-diamines and α,β-diamino acids.","Organic & biomolecular chemistry","2011","9","10","3625","3628","10.1039/c1ob05132f","","","0.71073","MoKα","","0.0917","0.0562","","","0.1244","0.1391","","","","","","0.888","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151867","28.269","0.003","30.785","0.003","7.2402","0.0007","90","","90","","90","","6300.9","1.1","100","0.1","100","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C256 H288 N32 O96 -","16","1","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0598","0.0472","","","0.1266","0.1362","","","","","","1.041","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151868","9.2295","0.0005","11.037","0.0007","17.1487","0.0008","90","","121.994","0.003","90","","1481.53","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0419","0.0363","","","0.1023","0.1077","","","","","","1.051","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151869","30.1583","0.0005","13.3236","0.0002","16.1956","0.0003","90","","107.909","0.001","90","","6192.35","0.18","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C256 H288 N32 O96 -","16","4","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0561","0.0466","","","0.1172","0.1279","","","","","","1.048","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151870","8.39707","0.00008","9.14896","0.00009","35.0858","0.0003","90","","90","","90","","2695.45","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 Cl N2 O2 Ru S -","- C31 H33 Cl N2 O2 Ru S -","- C124 H132 Cl4 N8 O8 Ru4 S4 -","4","1","","Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin","The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.","Organic & biomolecular chemistry","2011","9","9","3290","3294","10.1039/c1ob05208j","","","1.54184","CuKα","","0.0299","0.0292","","","0.0742","0.0745","","","","","","1.096","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151871","10.3603","0.0002","11.0519","0.0003","14.0747","0.0003","90.6376","0.0019","103.528","0.0017","107.614","0.002","1487.55","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H37 Cl N2 O3 Ru S -","- C31 H37 Cl N2 O3 Ru S -","- C62 H74 Cl2 N4 O6 Ru2 S2 -","2","2","","Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin","The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.","Organic & biomolecular chemistry","2011","9","9","3290","3294","10.1039/c1ob05208j","","","0.71073","MoKα","","0.0247","0.0233","","","0.0548","0.0553","","","","","","1.004","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151872","21.472","0.003","7.807","0.006","25.852","0.004","90","","115.95","0.02","90","","3897","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,4-diphenyloctahydroquinolin-1(2H)-ol","2,4-diphenyloctahydroquinolin-1(2H)-ol","","- C24 H28 N O -","- C24 H28 N O -","- C192 H224 N8 O8 -","8","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","0.71073","MoKα","","0.1042","0.0541","","","0.0979","0.1245","","","","","","1.023","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151873","19.532","0.003","5.3933","0.0007","16.414","0.002","90","","90.279","0.012","90","","1729.1","0.4","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline","4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline","","- C21 H24 Cl N O -","- C21 H24 Cl N O -","- C84 H96 Cl4 N4 O4 -","4","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","1.54178","CuKα","","0.0527","0.0411","","","0.0918","0.0953","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151874","26.535","0.003","26.535","0.003","13.671","0.002","90","","90","","120","","8336.2","1.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","1-hydroxy2,4, 6-triiphenylpiperazine","1-hydroxy2,4, 6-triiphenylpiperazine","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C396 H396 N36 O18 -","18","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","0.71073","MoKα","","0.0993","0.0615","","","0.1764","0.1962","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151875","6.2211","0.0003","14.25","0.0007","19.7004","0.001","90","","90","","90","","1746.45","0.15","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","14 December 2010","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","1.54178","CuKα","","0.0301","0.0274","","","0.0655","0.0662","","","","","","1.066","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151876","8.101","0.0016","11.081","0.002","16.926","0.003","100.23","0.03","99.2","0.03","104.73","0.03","1412.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H24 Cl F3 N2 O3 S -","- C31 H24 Cl F3 N2 O3 S -","- C62 H48 Cl2 F6 N4 O6 S2 -","2","1","","Chaitanya, T. Krishna; Nagarajan, Rajagopal","Synthesis of functionalized ellipticinium and ellipticine derivatives via electrophilic cyclization","Organic & Biomolecular Chemistry","2011","9","12","4662","","10.1039/c1ob05258f","","","0.71073","MoKα","","0.1654","0.0954","","","0.1895","0.224","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151877","8.1925","0.0003","16.7763","0.0008","21.6041","0.001","90","","90","","90","","2969.3","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H29 F3 N2 O3 S -","- C33 H29 F3 N2 O3 S -","- C132 H116 F12 N8 O12 S4 -","4","1","","Chaitanya, T. Krishna; Nagarajan, Rajagopal","Synthesis of functionalized ellipticinium and ellipticine derivatives via electrophilic cyclization","Organic & Biomolecular Chemistry","2011","9","12","4662","","10.1039/c1ob05258f","","","0.71073","MoKα","","0.0962","0.0607","","","0.139","0.1622","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151878","18.2414","0.0009","5.4302","0.0002","14.7271","0.0007","90","","105.429","0.002","90","","1406.21","0.11","150","2","150","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C64 H56 N24 -","8","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0462","0.0397","","","0.1059","0.1121","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151879","7.051","0.0002","20.8154","0.0006","7.2666","0.0002","90","","100.688","0.002","90","","1048.01","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 I2 N2 S -","- C7 H4 I2 N2 S -","- C28 H16 I8 N8 S4 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0314","0.0292","","","0.0619","0.0627","","","","","","1.201","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151880","6.8316","0.0004","13.4938","0.0007","12.1649","0.0007","90","","101.594","0.002","90","","1098.53","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 I2 N3 -","- C8 H5 I2 N3 -","- C32 H20 I8 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0319","0.0291","","","0.0675","0.069","","","","","","1.099","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151881","7.1532","0.0003","14.745","0.0006","8.1035","0.0004","90","","91.883","0.001","90","","854.25","0.07","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 I N3 -","- C8 H6 I N3 -","- C32 H24 I4 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0232","0.0207","","","0.0504","0.0515","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151882","7.1322","0.0002","10.9173","0.0003","13.3983","0.0004","90","","99.759","0.001","90","","1028.15","0.05","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 I2 N3 -","- C8 H5 I2 N3 -","- C32 H20 I8 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0195","0.018","","","0.0445","0.0451","","","","","","1.138","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151883","11.8807","0.0005","7.3931","0.0003","14.398","0.0006","90","","92.696","0.002","90","","1263.25","0.09","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Cl I3 N3 -","- C8 H3 Cl I3 N3 -","- C32 H12 Cl4 I12 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0461","0.04","","","0.0924","0.0955","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151884","7.3777","0.0003","19.1576","0.0009","8.7098","0.0004","90","","111.017","0.002","90","","1149.14","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 I N3 -","- C11 H12 I N3 -","- C44 H48 I4 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0253","0.0221","","","0.0509","0.0596","","","","","","1.21","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151885","6.9744","0.0003","26.4537","0.0012","7.2619","0.0003","90","","90.717","0.002","90","","1339.71","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 I2 N3 -","- C11 H11 I2 N3 -","- C44 H44 I8 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0294","0.0281","","","0.0601","0.0606","","","","","","1.288","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151886","8.3852","0.0003","10.209","0.0003","16.0643","0.0005","90","","90","","90","","1375.18","0.08","150","2","150","2","","","","","","","synthesis as described","4","P n a b","-P 2bc 2n","60","","","","- C12 H8 I2 N4 -","- C12 H8 I2 N4 -","- C48 H32 I8 N16 -","4","0.5","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0203","0.017","","","0.0359","0.037","","","","","","1.064","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151887","6.3843","0.0005","30.629","0.002","7.1492","0.0006","90","","94.735","0.003","90","","1393.22","0.18","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.077","0.0683","","","0.1439","0.1473","","","","","","1.188","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151888","11.299","0.003","4.2309","0.0009","14.743","0.003","90","","90.229","0.008","90","","704.8","0.3","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0797","0.0565","","","0.1401","0.1539","","","","","","1.136","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151889","7.745","0.004","12.472","0.006","10.787","0.005","90","","92.06","0.014","90","","1041.3","0.9","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.1551","0.0685","","","0.1467","0.1724","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151890","21.913","0.003","23.156","0.003","23.85","0.004","93.385","0.006","108.751","0.006","95.706","0.005","11349","3","133","","133","","","","","","","","","6","P -1","-P 1","2","","","","- C205 H292 N16 O P12 Pt6 -","- C205 H292 N16 O P12 Pt6 -","- C410 H584 N32 O2 P24 Pt12 -","2","1","","Harano, Aya; Tanaka, Minako; Nakagaki, Takeshi; Annaka, Masahiko; Ideta, Keiko; Goto, Kenta; Shinmyozu, Teruo","Changing the volume of a giant macrocycle: the swelling of the macrocycle with organic solvents.","Organic & biomolecular chemistry","2011","9","10","3611","3614","10.1039/c1ob05272a","","","0.71075","MoKα","","","0.0888","","","","0.2755","","","","","","1.031","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151891","13.323","0.002","15.987","0.003","17.448","0.003","90","","90","","90","","3716.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Br N O7 -","- C40 H36 Br N O7 -","- C160 H144 Br4 N4 O28 -","4","1","","Xue, Zhi-Yong; Fang, Xin; Wang, Chun-Jiang","Asymmetric construction of 3-vinylidene-pyrrolidine derivatives containing allene moiety via Ag(I)/TF-BiphamPhos-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene) malonate.","Organic & biomolecular chemistry","2011","9","10","3622","3624","10.1039/c1ob05291h","","","0.71073","MoKα","","0.0684","0.0509","","","0.1344","0.1463","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151892","15.475","0.006","12.2","0.004","18.441","0.007","90","","107.63","0.007","90","","3318","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N4 O5 -","- C39 H38 N4 O5 -","- C156 H152 N16 O20 -","4","1","","Liu, Wei-Yong; Li, Hai-Ying; Zhao, Bao-Xiang; Miao, Jun-Ying","Synthesis, crystal structure and living cell imaging of a Cu2±specific molecular probe","Organic & Biomolecular Chemistry","2011","9","13","4802","","10.1039/c1ob05358b","","","0.71073","MoKα","","0.0949","0.0553","","","0.1414","0.1666","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151893","10.3869","0.0006","13.1736","0.0007","15.8519","0.0008","90","","90","","90","","2169.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br O3 -","- C25 H31 Br O3 -","- C100 H124 Br4 O12 -","4","1","","Stastna, Eva; Rath, Nigam P.; Covey, Douglas F.","The use of symmetry in enantioselective synthesis: Four pairs of chrysene enantiomers prepared from 19-nortestosterone","Organic & Biomolecular Chemistry","2011","9","12","4685","","10.1039/c1ob05385j","","","0.71073","MoKα","","0.0236","0.0205","","","0.0488","0.05","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151894","7.9684","0.001","10.9755","0.0014","12.0108","0.0015","72.528","0.002","72.231","0.002","83.35","0.002","953.8","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H17 Br O6 -","- C22 H17 Br O6 -","- C44 H34 Br2 O12 -","2","2","","Gao, Yaojun; Ren, Qiao; Ang, Swee-Meng; Wang, Jian","Enantioselective organocatalytic Michael-hemiketalization catalyzed by a trans-bifunctional indane thiourea catalyst.","Organic & biomolecular chemistry","2011","9","10","3691","3697","10.1039/c1ob05404j","","","0.71073","MoKα","","0.033","0.0302","","","0.0683","0.0698","","","","","","0.857","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151895","6.246","0.002","10.219","0.003","12.572","0.005","110.08","0.03","93.86","0.03","95.48","0.03","745.9","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Merritt, Andrew T.; Pouwer, Rebecca H.; Williams, David J.; Williams, Craig M.; Ley, Steven V.","The clerodane ring system: investigating the viability of a direct Diels‒Alder approach","Organic & Biomolecular Chemistry","2011","9","13","4745","","10.1039/c1ob05422h","","","1.54178","CuKα","","0.0763","0.054","","","0.1286","0.137","","","","","","0.972","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151896","11.914","0.004","11.74","0.004","12.726","0.004","90","","106.442","0.005","90","","1707.2","1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N O Si -","- C16 H25 N O Si -","- C64 H100 N4 O4 Si4 -","4","1","","Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan","Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application","Organic & Biomolecular Chemistry","2011","9","13","4778","","10.1039/c1ob05591g","","","0.71073","MoKα","","0.1534","0.0567","","","0.1344","0.1603","","","","","","0.802","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151897","10.5629","0.0009","12.6906","0.001","12.5122","0.0009","90","","100.65","0.005","90","","1648.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O Si -","- C16 H27 N O Si -","- C64 H108 N4 O4 Si4 -","4","1","","Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan","Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application","Organic & Biomolecular Chemistry","2011","9","13","4778","","10.1039/c1ob05591g","","","0.71073","MoKα","","0.0836","0.0366","","","0.0618","0.0668","","","","","","0.758","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151898","17.6183","0.0011","6.826","0.0004","25.7319","0.0016","90","","109.769","0.001","90","","2912.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N O Si -","- C14 H21 N O Si -","- C112 H168 N8 O8 Si8 -","8","2","","Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan","Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application","Organic & Biomolecular Chemistry","2011","9","13","4778","","10.1039/c1ob05591g","","","0.71073","MoKα","","0.1407","0.052","","","0.1137","0.1464","","","","","","0.9","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151899","6.526","0.006","11.83","0.01","12.312","0.011","90","","104.267","0.013","90","","921.2","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C40 H56 O14 -","2","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.1322","0.086","","","0.149","0.1641","","","","","","1.164","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151900","26.995","0.005","6.0828","0.0012","14.322","0.003","90","","117.723","0.003","90","","2081.8","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C88 H128 O32 -","4","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.067","0.061","","","0.1594","0.1647","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151901","9.6172","0.0017","14.543","0.003","27.025","0.005","90","","90","","90","","3779.8","1.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28 O8.5 -","- C19.5 H28 O8.5 -","- C156 H224 O68 -","8","2","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.0933","0.0628","","","0.166","0.1948","","","","","","1.209","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151902","10.3751","0.001","7.7786","0.0007","11.4085","0.0011","90","","99.955","0.002","90","","906.85","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C40 H56 O14 -","2","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.0375","0.0365","","","0.0918","0.0927","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151903","4.942","0.004","11.622","0.011","15.783","0.014","90","","93.573","0.014","90","","904.7","1.4","296","2","296","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","Fmoc-Val-CH2OH","Fmoc-Val-CH2OH","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.0758","0.041","","","0.0508","0.0548","","","","","","1.456","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151904","10.578","0.004","11.206","0.004","23.306","0.008","90","","90","","90","","2762.6","1.7","296","2","296","2","","","101.325","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Boc-Aib-Ala-Leu-CH2OH","Boc-Aib-Ala-Leu-CH2OH","","- C19 H36 Cl3 N3 O5 -","- C19 H36 Cl3 N3 O5 -","- C76 H144 Cl12 N12 O20 -","4","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.2755","0.0673","","","0.1608","0.2113","","","","","","0.715","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151905","9.704","0.003","13.077","0.003","25.661","0.007","90","","90","","90","","3256.4","1.5","296","2","200","","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Dipeptide alcohol","Dipeptide alcohol","","- C13 H26 N2 O4 -","- C13 H26 N2 O4 -","- C104 H208 N16 O32 -","8","2","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.1186","0.0653","","","0.0964","0.1069","","","","","","1.592","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151906","6.967","0.0014","10.517","0.002","11.826","0.002","87.388","0.003","73.485","0.003","85.092","0.003","827.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O4 Se -","- C16 H20 N2 O4 Se -","- C32 H40 N4 O8 Se2 -","2","1","","Bhabak, Krishna P.; Vernekar, Amit A.; Jakka, Surendar R.; Roy, Gouriprasanna; Mugesh, Govindasamy","Mechanistic investigations on the efficient catalytic decomposition of peroxynitrite by ebselen analogues.","Organic & biomolecular chemistry","2011","9","14","5193","5200","10.1039/c0ob01234c","","","0.71073","MoKα","","0.0451","0.0395","","","0.1084","0.1116","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151907","9.0838","0.0014","24.279","0.002","14.5751","0.0018","90","","102.451","0.002","90","","3138.9","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","1","","Jiang, Bo; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang; Li, Guigen","New multicomponent cyclization: domino synthesis of pentasubstituted pyridines under solvent-free conditions.","Organic & biomolecular chemistry","2011","9","11","4025","4028","10.1039/c0ob01258k","","","0.71073","MoKα","","0.143","0.0721","","","0.1719","0.1987","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151908","12.6769","0.0002","12.8446","0.0002","14.6153","0.0003","91.343","0.001","94.061","0.001","106.217","0.001","2277.06","0.07","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H66 O6 -","- C50 H66 O6 -","- C100 H132 O12 -","2","1","","Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin","Bridge-substituted calix[4]arenes: syntheses, conformations and application.","Organic & biomolecular chemistry","2011","9","11","4347","4352","10.1039/c1ob00028d","","","0.71073","MoKα","","0.0525","0.0395","","","0.1108","0.1304","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151909","11.5457","0.0002","24.1928","0.0005","17.0958","0.0003","90","","96.098","0.001","90","","4748.23","0.15","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H70 O6 -","- C52 H70 O6 -","- C208 H280 O24 -","4","1","","Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin","Bridge-substituted calix[4]arenes: syntheses, conformations and application.","Organic & biomolecular chemistry","2011","9","11","4347","4352","10.1039/c1ob00028d","","","0.71073","MoKα","","0.0943","0.0581","","","0.152","0.1674","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151910","7.168","0.003","15.046","0.007","9.688","0.004","90","","90","","90","","1044.8","0.8","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei","One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.","Organic & biomolecular chemistry","2011","9","16","5802","5808","10.1039/c1ob05082f","","","0.71073","MoKα","","0.0612","0.0429","","","0.0879","0.0966","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151911","7.272","0.004","11.909","0.006","17.041","0.008","90","","90","","90","","1475.8","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei","One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.","Organic & biomolecular chemistry","2011","9","16","5802","5808","10.1039/c1ob05082f","","","0.71073","MoKα","","0.1164","0.0616","","","0.1496","0.1772","","","","","","0.974","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151912","10.628","0.004","34.498","0.009","7.374","0.003","90","","90","","90","","2703.6","1.7","93","2","93","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C12 H14 B F4 N3 O -","- C12 H14 B F4 N3 O -","- C96 H112 B8 F32 N24 O8 -","8","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.1024","0.0586","","","0.0972","0.1106","","","","","","1.041","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151913","6.7538","0.0009","10.5562","0.0015","17.047","0.002","90","","90","","90","","1215.4","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 B F4 N3 -","- C11 H12 B F4 N3 -","- C44 H48 B4 F16 N12 -","4","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.0459","0.0439","","","0.1195","0.1218","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151914","8.2061","0.0017","7.6948","0.0016","10.792","0.002","90","","101.725","0.005","90","","667.2","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H7 B F9 N3 -","- C11 H7 B F9 N3 -","- C22 H14 B2 F18 N6 -","2","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.0638","0.0528","","","0.1303","0.1421","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151915","5.5353","0.0002","6.5391","0.0003","15.0596","0.0007","85.657","0.001","81.972","0.001","89.189","0.002","538.2","0.04","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H10 Cl N3 O -","- C11 H10 Cl N3 O -","- C22 H20 Cl2 N6 O2 -","2","1","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0317","0.0302","","","0.0817","0.0834","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151916","5.6105","0.0002","6.4884","0.0003","15.2886","0.0007","86.338","0.002","81.785","0.002","89.249","0.002","549.71","0.04","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C22 H20 Br2 N6 O2 -","2","1","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0192","0.0179","","","0.0446","0.0452","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151917","3.8164","0.0001","12.722","0.0003","46.6476","0.0013","90","","90","","90","","2264.85","0.1","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C11 H10 Cl N3 O2 -","- C11 H10 Cl N3 O2 -","- C88 H80 Cl8 N24 O16 -","8","2","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0454","0.0403","","","0.0874","0.0898","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151918","28.52","0.005","8.754","0.005","14.701","0.005","90","0.005","110.802","0.005","90","0.005","3431","2","100","2","100","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N4 O3 -","- C21 H14 N4 O3 -","- C168 H112 N32 O24 -","8","1","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0446","0.037","","","0.0905","0.0953","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151919","14.338","0.001","34.567","0.003","18.529","0.002","90","","106.02","0.01","90","","8826.7","1.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H124 O10 P4 S2 -","- C96 H124 O10 P4 S2 -","- C384 H496 O40 P16 S8 -","4","1","","Vachon, Jérôme; Harthong, Steven; Jeanneau, Erwann; Aronica, Christophe; Vanthuyne, Nicolas; Roussel, Christian; Dutasta, Jean-Pierre","Inherently chiral phosphonatocavitands as artificial chemo- and enantio-selective receptors of natural ammoniums.","Organic & biomolecular chemistry","2011","9","14","5086","5091","10.1039/c1ob05194f","","","1.5418","CuKα","","0.1591","0.1298","","0.295","0.2574","0.295","","","","","","1.072","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151920","11.9557","0.0004","15.3805","0.0004","22.8398","0.0006","95.81","0.002","95.876","0.002","90.902","0.002","4154.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H123 Cl3 O11 P2 -","- C87 H123 Cl3 O11 P2 -","- C174 H246 Cl6 O22 P4 -","2","1","","Vachon, Jérôme; Harthong, Steven; Jeanneau, Erwann; Aronica, Christophe; Vanthuyne, Nicolas; Roussel, Christian; Dutasta, Jean-Pierre","Inherently chiral phosphonatocavitands as artificial chemo- and enantio-selective receptors of natural ammoniums.","Organic & biomolecular chemistry","2011","9","14","5086","5091","10.1039/c1ob05194f","","","1.5418","CuKα","","0.0993","0.0923","","0.1992","0.19","0.1992","","","","","","1.0423","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151921","9.713","0.002","11.179","0.002","13.663","0.003","90","","109.59","0.03","90","","1397.7","0.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","Compound 7","5-hydroxy-2-(p-tolylthio)naphthalene-1,4-dione","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","da Rocha, David R.; de Souza, Ana C. G.; Resende, Jackson A. L. C.; Santos, Wilson C.; dos Santos, Evelyne A.; Pessoa, Cláudia; de Moraes, Manoel O.; Costa-Lotufo, Letícia V; Montenegro, Raquel C.; Ferreira, Vitor F.","Synthesis of new 9-hydroxy-α- and 7-hydroxy-β-pyran naphthoquinones and cytotoxicity against cancer cell lines.","Organic & biomolecular chemistry","2011","9","11","4315","4322","10.1039/c1ob05209h","","x-ray","0.71073","MoKα","","0.1224","0.0509","","","0.1104","0.1351","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151922","8.9234","0.0007","8.6499","0.0007","17.8425","0.0008","90","","103.821","0.007","90","","1337.33","0.17","130","2","130","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-2-(p-tolylthio)naphthalene-1,4-dione","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","da Rocha, David R.; de Souza, Ana C. G.; Resende, Jackson A. L. C.; Santos, Wilson C.; dos Santos, Evelyne A.; Pessoa, Cláudia; de Moraes, Manoel O.; Costa-Lotufo, Letícia V; Montenegro, Raquel C.; Ferreira, Vitor F.","Synthesis of new 9-hydroxy-α- and 7-hydroxy-β-pyran naphthoquinones and cytotoxicity against cancer cell lines.","Organic & biomolecular chemistry","2011","9","11","4315","4322","10.1039/c1ob05209h","","x-ray","1.54184","CuKα","","0.0476","0.0345","","","0.0869","0.0934","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151923","10.879","0.007","8.725","0.006","17.898","0.012","90","","92.108","0.009","90","","1698","2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Zhou, Wei; An, Guanghui; Zhang, Guangqian; Han, Jianlin; Pan, Yi","Ligand-free palladium-catalyzed intramolecular Heck reaction of secondary benzylic bromides.","Organic & biomolecular chemistry","2011","9","16","5833","5837","10.1039/c1ob05231d","","","0.71073","MoKα","","0.0985","0.065","","","0.1438","0.1506","","","","","","1.049","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151924","18.6624","0.0003","6.6549","0.0001","19.1657","0.0004","90","","105.704","0.0008","90","","2291.46","0.07","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20.5 H26.5 N4 O11.75 Os -","- C20.5 H23.5 N4 O11.75 Os -","- C82 H94 N16 O47 Os4 -","4","2","","Sugizaki, Kaori; Ikeda, Shuji; Yanagisawa, Hiroyuki; Okamoto, Akimitsu","Facile synthesis of hydroxymethylcytosine-containing oligonucleotides and their reactivity upon osmium oxidation.","Organic & biomolecular chemistry","2011","9","11","4176","4181","10.1039/c1ob05247k","","","0.71073","MoKα","","0.0395","0.033","","","0.0688","0.0712","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151925","11.4682","0.0011","19.7219","0.0018","9.6293","0.0009","90","","103.607","0.005","90","","2116.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Triazolo-pyrazine","","","- C23 H25 F N4 O2 S -","- C23 H25 F N4 O2 S -","- C92 H100 F4 N16 O8 S4 -","4","1","","Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb","A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues.","Organic & biomolecular chemistry","2011","9","16","5856","5862","10.1039/c1ob05255a","","","0.71073","MoKα","","0.0511","0.0423","","","0.1308","0.1436","","","","","","1.012","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151926","7.9258","0.0004","16.4316","0.0008","12.9933","0.0006","90","","105.595","0.002","90","","1629.87","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Triazolo-pyrazine","","","- C18 H15 F3 N4 -","- C18 H15 F3 N4 -","- C72 H60 F12 N16 -","4","2","","Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb","A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues.","Organic & biomolecular chemistry","2011","9","16","5856","5862","10.1039/c1ob05255a","","","0.71073","MoKα","","0.1039","0.0783","","","0.2102","0.2271","","","","","","1.109","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151927","4.8025","0.0002","11.5872","0.0008","33.05","0.002","90","","90","","90","","1839.15","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(7-Methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-ylidene)-N'-quinolin- 4-ylmethylene-hydrazine hydrate","","- C22 H19 N5 O2 -","- C22 H19 N5 O2 -","- C88 H76 N20 O8 -","4","1","","Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania","Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.","Organic & biomolecular chemistry","2011","9","14","5137","5148","10.1039/c1ob05288h","","","0.71073","MoKα","","0.1048","0.0573","","","0.0966","0.1106","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151928","24.252","0.003","9.3398","0.0011","17.6282","0.0017","90","","102.784","0.005","90","","3894","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(7-Methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-ylidene)-N'-quinolin-4-ylmethylene- -hydrazine hydrate with methanol","","- C22.42 H17 N5 O2 -","- C22.416 H17 N5 O2 -","- C179.328 H136 N40 O16 -","8","1","","Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania","Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.","Organic & biomolecular chemistry","2011","9","14","5137","5148","10.1039/c1ob05288h","","","0.71073","MoKα","","0.1469","0.0932","","","0.218","0.244","","","","","","1.09","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151929","6.352","0.003","7.033","0.003","10.437","0.004","83.301","0.007","77.06","0.007","77.613","0.007","442.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Nair, Vijay; Sinu, C. R.; Rejithamol, R.; Seetha Lakshmi, K. C.; Suresh, Eringathodi","A novel NHC-catalyzed transformation of 2H-chromene-3-carboxaldehydes to 3-methyl-2H-chromen-2-ones.","Organic & biomolecular chemistry","2011","9","15","5511","5514","10.1039/c1ob05325f","","","0.71073","MoKα","","0.0663","0.0602","","","0.1584","0.1636","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151930","7.3206","0.001","19.054","0.003","8.7032","0.0012","90","","99.593","0.002","90","","1197","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H5 Cl3 N4 -","- C11 H5 Cl3 N4 -","- C44 H20 Cl12 N16 -","4","1","","Niu, Hong-Ying; Xia, Chao; Qu, Gui-Rong; Zhang, Qian; Jiang, Yi; Mao, Run-Ze; Li, De-Yang; Guo, Hai-Ming","CuBr Catalyzed C-N cross coupling reaction of purines and diaryliodonium salts to 9-arylpurines.","Organic & biomolecular chemistry","2011","9","14","5039","5042","10.1039/c1ob05333g","","","0.71073","MoKα","","0.0526","0.0458","","","0.1353","0.1412","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151931","7.4524","0.001","19.81","0.003","11.805","0.0016","90","","90.816","0.003","90","","1742.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F N2 -","- C23 H17 F N2 -","- C92 H68 F4 N8 -","4","1","","Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa","Selective synthesis of poly-substituted fluorine-containing pyridines and dihydropyrimidines via cascade C-F bond cleavage protocol.","Organic & biomolecular chemistry","2011","9","16","5682","5691","10.1039/c1ob05371j","","","0.71073","MoKα","","0.1051","0.0472","","","0.088","0.1012","","","","","","0.802","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151932","23.699","0.002","10.1868","0.0009","17.9095","0.0017","90","","123.02","0.001","90","","3625.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F2 N2 -","- C23 H18 F2 N2 -","- C184 H144 F16 N16 -","8","1","","Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa","Selective synthesis of poly-substituted fluorine-containing pyridines and dihydropyrimidines via cascade C-F bond cleavage protocol.","Organic & biomolecular chemistry","2011","9","16","5682","5691","10.1039/c1ob05371j","","","0.71073","MoKα","","0.0683","0.0559","","","0.1447","0.1527","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151933","19.404","0.004","8.0536","0.0016","11.589","0.002","90","","102.32","0.03","90","","1769.3","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong","Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.","Organic & biomolecular chemistry","2011","9","15","5358","5361","10.1039/c1ob05440f","","","0.71073","MoKα","","0.1056","0.0401","","","0.0815","0.1257","","","","","","1.132","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151934","13.657","0.003","8.1149","0.0016","13.751","0.003","90","","94.69","0.03","90","","1518.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 -","- C19 H13 N3 -","- C76 H52 N12 -","4","1","","Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong","Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.","Organic & biomolecular chemistry","2011","9","15","5358","5361","10.1039/c1ob05440f","","","0.71073","MoKα","","0.0633","0.0429","","","0.1039","0.1265","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151935","5.935","0.003","23.843","0.01","11.898","0.005","90","","93.864","0.005","90","","1679.8","1.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F3 O3 -","- C18 H19 F3 O3 -","- C72 H76 F12 O12 -","4","1","","Wang, Tong; Ye, Song","Phosphine-catalyzed [3 + 2] cycloaddition of allenoates with trifluoromethylketones: synthesis of dihydrofurans and tetrahydrofurans.","Organic & biomolecular chemistry","2011","9","14","5260","5265","10.1039/c1ob05444a","","","0.71073","MoKα","","0.0887","0.0811","","","0.1772","0.1821","","","","","","1.246","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151936","10.396","0.002","10.88","0.002","19.224","0.004","90","","90","","90","","2174.4","0.7","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","2","","Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.","Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.","Organic & biomolecular chemistry","2011","9","14","5062","5078","10.1039/c1ob05448a","","","0.71073","MoKα","","0.0466","0.0398","","","0.0871","0.0896","","","","","","0.99","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151937","24.17","0.004","7.6936","0.0012","12.38","0.002","90","","112.922","0.003","90","","2120.3","0.6","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","2","","Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.","Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.","Organic & biomolecular chemistry","2011","9","14","5062","5078","10.1039/c1ob05448a","","","0.71073","MoKα","","0.0637","0.0487","","","0.114","0.121","","","","","","0.96","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151938","11.6786","0.0003","14.5262","0.0004","8.7114","0.0002","90","","103.82","0.001","90","","1435.07","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 1-(3-(1-napththyl)-3-oxopropanoyl)cyclopropanecarboxylate","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Rahn, Thomas; Bendrath, Franziska; Hein, Martin; Baumann, Wolfgang; Jiao, Haijun; Börner, Armin; Villinger, Alexander; Langer, Peter","Synthesis and characterization of bis-cyclopropanated 1,3,5-tricarbonyl compounds. A combined synthetic, spectroscopic and theoretical study.","Organic & biomolecular chemistry","2011","9","14","5172","5184","10.1039/c1ob05455d","","","0.71073","MoKα","","0.0509","0.0434","","","0.1267","0.1322","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151939","9.4464","0.0003","8.3079","0.0003","19.3443","0.0007","90","","94.272","0.002","90","","1513.92","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 1-(1-(4-methoxybenzoyl)cyclopropanecarbonyl)cyclopropanecarboxylate","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Rahn, Thomas; Bendrath, Franziska; Hein, Martin; Baumann, Wolfgang; Jiao, Haijun; Börner, Armin; Villinger, Alexander; Langer, Peter","Synthesis and characterization of bis-cyclopropanated 1,3,5-tricarbonyl compounds. A combined synthetic, spectroscopic and theoretical study.","Organic & biomolecular chemistry","2011","9","14","5172","5184","10.1039/c1ob05455d","","","0.71073","MoKα","","0.056","0.0416","","","0.1063","0.1133","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151940","7.8373","0.0007","8.6462","0.0008","13.3583","0.0012","90","","94.152","0.002","90","","902.82","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 S -","- C19 H22 O5 S -","- C38 H44 O10 S2 -","2","1","","Ren, Qiao; Gao, Yaojun; Wang, Jian","Chiral indane skeleton based thiourea catalyzed highly stereoselective cascade Michael-enolation-cyclization reaction.","Organic & biomolecular chemistry","2011","9","14","5297","5302","10.1039/c1ob05477e","","","0.71073","MoKα","","0.0447","0.0428","","","0.1088","0.1102","","","","","","1.076","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151941","11.543","0.004","19.853","0.007","12.183","0.005","90","","97.935","0.004","90","","2765.2","1.8","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C56 H34 N6 O2 -","- C56 H34 N6 O2 -","- C112 H68 N12 O4 -","2","0.5","","Hu, Shu-Zhen; Chen, Chuan-Feng","Hg(2+) recognition by triptycene-derived heteracalixarenes: selectivity tuned by bridging heteroatoms and macrocyclic cavity.","Organic & biomolecular chemistry","2011","9","16","5838","5844","10.1039/c1ob05515a","","","0.71073","MoKα","","0.1157","0.0948","","","0.2137","0.2254","","","","","","1.117","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151942","7.128","0.0004","7.3609","0.0004","10.9238","0.0006","90.492","0.003","98.609","0.003","112.463","0.003","522.34","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Methyl 5,6-dibromo-1H-indole-3-carboxylate","Methyl 5,6-dibromo-1H-indole-3-carboxylate","","- C10 H7 Br2 N O2 -","- C10 H7 Br2 N O2 -","- C20 H14 Br4 N2 O4 -","2","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","0.71073","MoKα","","0.0358","0.0276","","","0.0559","0.0598","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151943","7.0596","0.0003","10.693","0.0004","11.4729","0.0004","96.062","0.002","94.194","0.002","106.037","0.002","822.95","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1-tert-Butyl-3-methyl 5,6-dibromo-1H-indole-1,3-dicarboxylate","1-tert-Butyl-3-methyl 5,6-dibromo-1H-indole-1,3-dicarboxylate","","- C15 H15 Br2 N O4 -","- C15 H15 Br2 N O4 -","- C30 H30 Br4 N2 O8 -","2","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","0.71073","MoKα","","0.0585","0.0387","","","0.0701","0.0763","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151944","11.0874","0.0006","7.5403","0.0004","18.872","0.001","90","","90","","90","","1577.74","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5,6-Dibromo-1H-indole","5,6-Dibromo-1H-indole","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C64 H40 Br16 N8 -","8","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54184","CuKα","","0.0281","0.0279","","","0.0777","0.0778","","","","","","1.197","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151945","8.8688","0.0004","6.0886","0.0003","16.8852","0.0008","90","","91.443","0.003","90","","911.49","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5,6-Tribromo-1H-indole","3,5,6-Tribromo-1H-indole","","- C8 H4 Br3 N -","- C8 H4 Br3 N -","- C32 H16 Br12 N4 -","4","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54184","CuKα","","0.0254","0.0251","","","0.0663","0.0666","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151946","7.6033","0.0004","8.0327","0.0004","9.661","0.0005","68.061","0.003","66.835","0.003","73.873","0.003","497.24","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","3,5,6-Tribromo-N-methyl-1H-indole","3,5,6-Tribromo-N-methyl-1H-indole","","- C9 H6 Br3 N -","- C9 H6 Br3 N -","- C18 H12 Br6 N2 -","2","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54178","CuKα","","0.0236","0.0234","","","0.0619","0.0621","","","","","","1.175","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151947","16.4115","0.0013","8.1684","0.0005","17.6258","0.0013","90","","96.614","0.003","90","","2347.1","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H64 N6 O7 Si2 -","- C46 H64 N6 O7 Si2 -","- C92 H128 N12 O14 Si4 -","2","1","","Sacchetti, Alessandro; Silvani, Alessandra; Gatti, Francesco G.; Lesma, Giordano; Pilati, Tullio; Trucchi, Beatrice","Addition of TMSCN to chiral ketimines derived from isatin. Synthesis of an oxindole-based peptidomimetic and a bioactive spirohydantoin.","Organic & biomolecular chemistry","2011","9","15","5515","5522","10.1039/c1ob05532a","","","0.71073","MoKα","","0.0467","0.0356","","","0.0829","0.0896","","","","","","1.028","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151948","11.18","0.003","9.4995","0.0018","12.049","0.003","90","","111.894","0.005","90","","1187.4","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(1-(4-chlorophenyl)ethyl)pyrrolidin-2-one","","","- C12 H15 Cl N2 O -","- C12 H15 Cl N2 O -","- C48 H60 Cl4 N8 O4 -","4","1","","Jiang, Ran; Xu, Hai-Yan; Xu, Xiao-Ping; Chu, Xue-Qiang; Ji, Shun-Jun","Direct alkylation of indoles and amines by tert-enamides: facile access to pharmaceutically active 2-oxo-1-pyrrolidine analogues.","Organic & biomolecular chemistry","2011","9","16","5659","5669","10.1039/c1ob05546a","","","0.71075","MoKα","","0.0731","0.0529","","","0.1287","0.1404","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151949","9.0917","0.0008","9.8531","0.0009","29.228","0.002","90","","90","","90","","2618.3","0.4","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N5 O8 -","- C21 H39 N5 O8 -","- C84 H156 N20 O32 -","4","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.0855","0.0641","","","0.1324","0.1411","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151950","4.7957","0.0014","19.605","0.006","9.913","0.003","90","","100.076","0.004","90","","917.6","0.5","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N4 O4 -","- C18 H24 N4 O4 -","- C36 H48 N8 O8 -","2","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.0537","0.0505","","","0.1348","0.1377","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151951","9.056","0.005","9.842","0.004","29.153","0.017","90","","90","","90","","2598","2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N5 O8 -","- C21 H39 N5 O8 -","- C84 H156 N20 O32 -","4","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.1032","0.0711","","","0.1383","0.1512","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151952","8.1115","0.0003","5.6573","0.0002","18.0697","0.0007","90","","92.887","0.003","90","","828.15","0.05","120","2","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 Cl2 O3 -","- C19 H14 Cl2 O3 -","- C38 H28 Cl4 O6 -","2","1","","Zhang, Qi; Xiao, Xiao; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly enantioselective synthesis of γ-substituted butenolides via the vinylogous Mukaiyama-Michael reaction catalyzed by a chiral scandium(iii)-N,N'-dioxide complex.","Organic & biomolecular chemistry","2011","9","16","5748","5754","10.1039/c1ob05558e","","","0.7107","MoKα","","0.0318","0.0273","","","0.0591","0.0602","","","","","","0.914","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151953","9.0593","0.0003","15.3579","0.0005","19.9706","0.0006","90","","90","","90","","2778.55","0.15","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R)-2,6-anhydro-4-O-[tert-butyl(dimethyl)silyl]-3-deoxy -1-(methoxyamino)-3-(methoxycarbonyl)-5-O-(methoxymethyl) -5-C-methyl-6-pentyl-L-reythro-hex-2-enose","","- C23 H43 N O8 Si -","- C23 H43 N O8 Si -","- C92 H172 N4 O32 Si4 -","4","1","","Kobayashi, Kenichi; Okamoto, Iwao; Morita, Nobuyoshi; Kiyotani, Tamiko; Tamura, Osamu","Synthesis of the proposed structure of phaeosphaeride A.","Organic & biomolecular chemistry","2011","9","16","5825","5832","10.1039/c1ob05612c","","","1.54187","CuKα","","0.0713","0.0569","","","0.1155","0.1255","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151954","9.4142","0.0009","16.609","0.0017","16.8295","0.0017","90","","105.173","0.001","90","","2539.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 N2 -","- C30 H28 Cl2 N2 -","- C120 H112 Cl8 N8 -","4","1","","Yang, Yan-Fang; Shu, Xing-Zhong; Wei, Hai-Long; Luo, Jian-Yi; Ali, Shaukat; Liu, Xue-Yuan; Liang, Yong-Min","FeCl(3)-Mediated synthesis of polysubstituted tetrahydroquinolines via domino Mannich/Friedel-Crafts reactions of aldehydes and amines.","Organic & biomolecular chemistry","2011","9","14","5028","5033","10.1039/c1ob05646h","","","0.71073","MoKα","","0.0603","0.04","","","0.0957","0.1067","","","","","","1.035","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151955","11.4767","0.0003","9.9382","0.0003","14.0372","0.0005","90","","92.646","0.003","90","","1599.34","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl3 N5 O Zn -","- C10 H16 Cl3 N5 O Zn -","- C40 H64 Cl12 N20 O4 Zn4 -","4","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.7107","MoKα","","0.0418","0.0413","","","0.0904","0.0905","","","","","","1.591","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151956","8.3518","0.0003","10.0642","0.0005","21.5006","0.001","96.082","0.004","94.259","0.004","112.541","0.004","1646.72","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl8 N10 Zn3 -","- C20 H28 Cl8 N10 Zn3 -","- C40 H56 Cl16 N20 Zn6 -","2","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.7107","MoKα","","0.0223","0.0214","","","0.0695","0.0702","","","","","","1.169","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151957","7.0591","0.0004","15.6552","0.0007","13.2731","0.0006","90","","98.24","0.005","90","","1451.69","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 Cl2 N5 O2 -","- C9 H21 Cl2 N5 O2 -","- C36 H84 Cl8 N20 O8 -","4","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.71073","MoKα","","0.0278","0.0261","","","0.0674","0.0684","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151958","7.6673","0.0004","7.8804","0.0005","13.4349","0.0007","101.599","0.005","91.479","0.004","91.095","0.005","794.67","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Cl4 Cu N5 -","- C9 H17 Cl4 Cu N5 -","- C18 H34 Cl8 Cu2 N10 -","2","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.71073","MoKα","","0.0366","0.0352","","","0.0944","0.0955","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151959","7.8356","0.0004","13.1475","0.0006","15.8482","0.0009","76.546","0.004","84.994","0.004","81.751","0.004","1568.96","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Cl4 N5 Zn -","- C9 H17 Cl4 N5 Zn -","- C36 H68 Cl16 N20 Zn4 -","4","2","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.71073","MoKα","","0.0432","0.0403","","","0.1079","0.11","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151960","8.5748","0.0006","14.9184","0.001","23.0172","0.0015","90","","90","","90","","2944.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N5 O11 S -","- C26 H33 N5 O11 S -","- C104 H132 N20 O44 S4 -","4","1","","Shen, Fengjuan; Li, Xiaoliu; Zhang, Xiaoyuan; Yin, Qingmei; Qin, Zhanbin; Chen, Hua; Zhang, Jinchao; Ma, Zhaipu","Microwave-assisted synthesis of dinucleoside analogues containing a thiazolidin-4-one linkage via one-pot tandem Staudinger/aza-Wittig/cyclization.","Organic & biomolecular chemistry","2011","9","16","5766","5772","10.1039/c1ob05675a","","","0.71073","MoKα","","0.1144","0.0591","","","0.1498","0.1773","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151961","16.0335","0.0017","9.3932","0.001","15.1","0.0016","90","","109.749","0.002","90","","2140.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br N2 O -","- C25 H27 Br N2 O -","- C100 H108 Br4 N8 O4 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.08","0.0439","","","0.079","0.1093","","","","","","0.905","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151962","8.197","0.002","22.507","0.006","12.208","0.003","90","","101.368","0.004","90","","2208.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br N2 O -","- C25 H27 Br N2 O -","- C100 H108 Br4 N8 O4 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0461","0.0354","","","0.0782","0.0817","","","","","","1.096","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151963","13.9702","0.0009","9.4045","0.0006","18.4052","0.0012","90","","94.432","0.001","90","","2410.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 O2 S -","- C27 H27 Br N2 O2 S -","- C108 H108 Br4 N8 O8 S4 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0533","0.0356","","","0.0772","0.0928","","","","","","0.958","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151964","13.7253","0.0011","10.4969","0.0008","16.7159","0.0013","90","","102.557","0.002","90","","2350.7","0.3","180","2","180","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C50 H62 N4 O9 -","- C50 H62 N4 O9 -","- C100 H124 N8 O18 -","2","0.5","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.1423","0.0661","","","0.1864","0.2116","","","","","","0.845","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151965","9.903","0.0013","10.8311","0.0014","19.231","0.002","90","","90","","90","","2062.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C96 H92 N12 O16 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0554","0.0445","","","0.0786","0.0817","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151966","11.3829","0.0013","12.3833","0.0015","13.4311","0.0016","90","","90","","90","","1893.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Chen, Jia; Chen, Jian-Jun; Yao, Xiaojun; Gao, Kun","Kopsihainanines A and B, two unusual alkaloids from Kopsia hainanensis.","Organic & biomolecular chemistry","2011","9","15","5334","5336","10.1039/c1ob05724c","","","0.71073","MoKα","","0.0786","0.0447","","","0.0795","0.0898","","","","","","1.101","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151967","9.84534","0.00019","13.7667","0.0003","35.643","0.0007","90","","90","","90","","4830.98","0.17","203.1","","203","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H69 N5 O6 Si4 -","- C37 H69 N5 O6 Si4 -","- C148 H276 N20 O24 Si16 -","4","1","","Meng, Xiangtai; Moriuchi, Toshiyuki; Tohnai, Norimitsu; Miyata, Mikiji; Kawahata, Masatoshi; Yamaguchi, Kentaro; Hirao, Toshikazu","Synthesis and assembling properties of bioorganometallic cyclometalated Au(iii) alkynyls bearing guanosine moieties.","Organic & biomolecular chemistry","2011","9","16","5633","5636","10.1039/c1ob05842h","","","1.54187","CuKα","","","0.0718","","","","0.1962","","","","","","0.913","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151968","46.284","0.003","12.2793","0.0007","11.1201","0.0007","90","","90","","90","","6319.9","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","6","P b c n","-P 2n 2ab","60","","","","- C32 H42 N O2 P Si -","- C32 H42 N O2 P Si -","- C256 H336 N8 O16 P8 Si8 -","8","1","","Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha","C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions.","Organic & biomolecular chemistry","2011","9","18","6246","6255","10.1039/c1ob05705g","","","0.71073","MoKα","","0.1212","0.0732","","","0.2194","0.2376","","","","","","1.058","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151969","11.502","0.002","11.404","0.002","23.465","0.005","90","","93.2","0.03","90","","3073.1","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Cl2 Si4 -","- C22 H38 Cl2 Si4 -","- C88 H152 Cl8 Si16 -","4","1","","Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha","C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions.","Organic & biomolecular chemistry","2011","9","18","6246","6255","10.1039/c1ob05705g","","","0.71073","MoKα","","0.1575","0.1168","","","0.3644","0.3912","","","","","","1.153","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151970","18.725","0.001","10.407","0.0009","12.115","0.0014","90","","122.302","0.001","90","","1995.5","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Fused Butenolides","","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0539","0.0483","","","0.1156","0.1197","","","","","","1.071","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151971","6.1283","0.0007","8.0991","0.001","22.952","0.003","90","","92.622","0.002","90","","1138","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Fused Butenolides","","","- C11 H16 O4 -","- C11 H16 O4 -","- C44 H64 O16 -","4","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0906","0.0617","","","0.1502","0.1649","","","","","","1.092","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151972","5.0397","0.0003","14.3513","0.001","10.316","0.0007","90","","98.118","0.001","90","","738.64","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Butenolides","","","- C7 H8 O4 -","- C7 H8 O4 -","- C28 H32 O16 -","4","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0678","0.0658","","","0.1684","0.1702","","","","","","1.11","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151973","10.4595","0.001","8.2649","0.0008","13.4821","0.0013","90","","110.602","0.002","90","","1090.95","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","chromene","","","- C11 H16 O4 -","- C11 H16 O4 -","- C44 H64 O16 -","4","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0495","0.0395","","","0.0998","0.1071","","","","","","1.047","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151974","16.1331","0.0014","37.634","0.003","17.1581","0.0015","90","","98.715","0.002","90","","10297.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H123 N7 O9 -","- C87 H123 N7 O9 -","- C348 H492 N28 O36 -","4","1","","Cornut, Damien; Marrot, Jérôme; Wouters, Johan; Jabin, Ivan","Acid-base modulation of a versatile heteroditopic calix[6]arene based receptor.","Organic & biomolecular chemistry","2011","9","18","6373","6384","10.1039/c1ob05759f","","","0.71073","MoKα","","0.1499","0.0822","","","0.2253","0.2463","","","","","","1.048","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151975","15.853","0.0013","15.5929","0.0015","25.462","0.002","90","","115.951","0.006","90","","5659.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 N4 O2 -","- C72 H70 N4 O2 -","- C288 H280 N16 O8 -","4","1","","Keller, Stephan; Yi, Chenyi; Li, Chen; Liu, Shi-Xia; Blum, Carmen; Frei, Gabriela; Sereda, Olha; Neels, Antonia; Wandlowski, Thomas; Decurtins, Silvio","Synthesis, structures, redox and photophysical properties of benzodifuran-functionalised pyrene and anthracene fluorophores.","Organic & biomolecular chemistry","2011","9","18","6410","6416","10.1039/c1ob05778b","","","0.71073","MoKα","","0.3205","0.0669","","","0.1052","0.1745","","","","","","0.668","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151976","13.7947","0.0009","9.0999","0.0006","22.2042","0.0016","90","","105.631","0.005","90","","2684.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 N4 O2 -","- C68 H70 N4 O2 -","- C136 H140 N8 O4 -","2","0.5","","Keller, Stephan; Yi, Chenyi; Li, Chen; Liu, Shi-Xia; Blum, Carmen; Frei, Gabriela; Sereda, Olha; Neels, Antonia; Wandlowski, Thomas; Decurtins, Silvio","Synthesis, structures, redox and photophysical properties of benzodifuran-functionalised pyrene and anthracene fluorophores.","Organic & biomolecular chemistry","2011","9","18","6410","6416","10.1039/c1ob05778b","","","0.71073","MoKα","","0.1494","0.0677","","","0.147","0.1723","","","","","","0.86","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151977","12.0856","0.001","17.2822","0.0016","16.4631","0.0016","90","","129.164","0.006","90","","2666.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 N4 O2 -","- C68 H70 N4 O2 -","- C136 H140 N8 O4 -","2","0.5","","Keller, Stephan; Yi, Chenyi; Li, Chen; Liu, Shi-Xia; Blum, Carmen; Frei, Gabriela; Sereda, Olha; Neels, Antonia; Wandlowski, Thomas; Decurtins, Silvio","Synthesis, structures, redox and photophysical properties of benzodifuran-functionalised pyrene and anthracene fluorophores.","Organic & biomolecular chemistry","2011","9","18","6410","6416","10.1039/c1ob05778b","","","0.71073","MoKα","","0.1715","0.0527","","","0.0803","0.1006","","","","","","0.686","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151978","14.5009","0.0018","16.212","0.002","14.5134","0.0018","97.198","0.002","99.991","0.002","86.541","0.002","3331.1","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C60C6H4Cl5Cl_toluene","C60C6H4Cl5Cl_toluene","","- C97 H28 Cl6 -","- C97 H28 Cl6 -","- C194 H56 Cl12 -","2","1","","Hashiguchi, Masahiko; Watanabe, Kazuhiro; Matsuo, Yutaka","Facile fullerene modification: FeCl(3)-mediated quantitative conversion of C(60) to polyarylated fullerenes containing pentaaryl(chloro)[60]fullerenes.","Organic & biomolecular chemistry","2011","9","18","6417","6421","10.1039/c1ob05895a","","","0.71073","MoKα","","0.1994","0.1051","","","0.2953","0.3703","","","","","","1.102","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151979","20.3125","0.0012","20.3125","0.0012","15.9673","0.0011","90","","90","","120","","5705.4","0.6","291","2","291","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C25 H24 Br N O3 -","- C25 H24 Br N O3 -","- C225 H216 Br9 N9 O27 -","9","1","","Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran","Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.","Organic & biomolecular chemistry","2011","9","18","6211","6214","10.1039/c1ob05903c","","","1.54184","CuKα","","0.1031","0.0842","","","0.1875","0.198","","","","","","1.082","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151980","7.4163","0.0003","14.0432","0.0006","25.9274","0.001","90","","90","","90","","2700.3","0.19","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N O2 S -","- C32 H33 N O2 S -","- C128 H132 N4 O8 S4 -","4","1","","Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran","Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.","Organic & biomolecular chemistry","2011","9","18","6211","6214","10.1039/c1ob05903c","","","0.71073","MoKα","","0.089","0.0517","","","0.0886","0.1012","","","","","","1.012","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151981","19.4658","0.0004","7.8017","0.0001","15.153","0.0003","90","","110.941","0.001","90","","2149.23","0.07","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6-phenyl-4H-pyrido(1,2-a)pyrimidin-4-one","6-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","","Molnár, Annamária; Kapros, Anita; Párkányi, László; Mucsi, Zoltán; Vlád, Gábor; Hermecz, István","Suzuki-Miyaura cross-coupling reactions of halo derivatives of 4H-pyrido[1,2-a]pyrimidin-4-ones.","Organic & biomolecular chemistry","2011","9","19","6559","6565","10.1039/c1ob05505d","","","1.54187","CuKα","","0.0438","0.0342","","","0.0874","0.0968","","","","","","1.097","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151982","16.3465","0.0011","23.3116","0.0018","17.2917","0.0013","90","","116.247","0.007","90","","5909.9","0.8","293","1","293","1","","","","","","","","5","C 1 c 1","C -2yc","9","Cone-5d","","","- C63 H66 F9 N3 O9 -","- C63 H66 F9 N3 O9 -","- C252 H264 F36 N12 O36 -","4","1","","Ni, Xin-Long; Rahman, Shofuir; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Novel ion-pair receptors based on hexahomotrioxacalix[3]arene derivatives.","Organic & biomolecular chemistry","2011","9","19","6535","6541","10.1039/c1ob05564j","","","0.71073","Mo-Kα","","0.0848","0.0563","","","0.1292","0.1402","","","","","","1.042","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151983","11.411","0.004","15.482","0.005","16.504","0.007","92.63","0.03","97.69","0.03","106.65","0.03","2757.4","1.8","293","2","140","1","","","","","","","","5","P -1","-P 1","2","Cone-5c","","","- C60 H66 F3 N3 O9 -","- C60 H66 F3 N3 O9 -","- C120 H132 F6 N6 O18 -","2","1","","Ni, Xin-Long; Rahman, Shofuir; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Novel ion-pair receptors based on hexahomotrioxacalix[3]arene derivatives.","Organic & biomolecular chemistry","2011","9","19","6535","6541","10.1039/c1ob05564j","","","0.71073","Mo-Kα","","0.3008","0.2672","","","0.5722","0.5898","","","","","","2.321","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151984","11.2799","0.0006","15.1788","0.0009","21.4815","0.0013","90","","90","","90","","3678","0.4","140","1","140","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 41","","","- C33 H42 Cl2 O17 -","- C33 H42 Cl2 O17 -","- C132 H168 Cl8 O68 -","4","1","","Nepogodiev, Sergey A.; Fais, Margherita; Hughes, David L.; Field, Robert A.","Synthesis of apiose-containing oligosaccharide fragments of the plant cell wall: fragments of rhamnogalacturonan-II side chains A and B, and apiogalacturonan.","Organic & biomolecular chemistry","2011","9","19","6670","6684","10.1039/c1ob05587a","","","0.71073","Mo-Kα","","0.0486","0.0372","","","0.0894","0.0925","","","","","","1.048","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151985","28.965","0.014","36.811","0.018","15.395","0.016","90","","90","","90","","16415","2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C159 H215 N8 O50.5 Rh4 -","- C158 H170 N8 O50.5 Rh4 -","- C632 H680 N32 O202 Rh16 -","4","1","","Mattiza, Jens T.; Fohrer, Joerg G. G.; Duddeck, Helmut; Gardiner, Michael G.; Ghanem, Ashraf","Optimizing dirhodium(ii) tetrakiscarboxylates as chiral NMR auxiliaries.","Organic & biomolecular chemistry","2011","9","19","6542","6550","10.1039/c1ob05665d","","","0.710673","Synchrotron","","0.0488","0.0418","","","0.1014","0.1054","","","","","","1.079","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151986","9.823","0.002","11.349","0.002","15.262","0.003","90","","97.43","0.03","90","","1687.1","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 N O3 -","- C18 H15 Cl2 N O3 -","- C72 H60 Cl8 N4 O12 -","4","1","","Xie, Peizhong; Huang, You; Lai, Wenqing; Meng, Xiangtai; Chen, Ruyu","Bifunctional phosphine-catalyzed cross-Rauhut-Currier/Michael/aldol condensation triple domino reaction: synthesis of functionalized cyclohexenes.","Organic & biomolecular chemistry","2011","9","19","6707","6714","10.1039/c1ob05693j","","","1.54187","CuKα","","0.0596","0.059","","","0.1533","0.1539","","","","","","1.093","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151987","6.9697","0.0014","9.891","0.002","13.577","0.003","91.1","0.03","103.89","0.03","109.35","0.03","852.3","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl2 N O3 -","- C18 H15 Cl2 N O3 -","- C36 H30 Cl4 N2 O6 -","2","1","","Xie, Peizhong; Huang, You; Lai, Wenqing; Meng, Xiangtai; Chen, Ruyu","Bifunctional phosphine-catalyzed cross-Rauhut-Currier/Michael/aldol condensation triple domino reaction: synthesis of functionalized cyclohexenes.","Organic & biomolecular chemistry","2011","9","19","6707","6714","10.1039/c1ob05693j","","","1.54187","CuKα","","0.0456","0.0448","","","0.1248","0.1259","","","","","","1.054","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151988","9.7445","0.0002","9.7445","0.0002","37.3937","0.0005","90","","90","","120","","3075.02","0.1","150","","150","","","","","","","","synthesis as described","4","P 65","P 65","170","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C138 H132 N12 O24 -","6","1","","Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L.","Spirocyclic systems derived from pyroglutamic acid.","Organic & biomolecular chemistry","2011","9","20","7042","7056","10.1039/c1ob05708a","","","0.71073","MoKα","","","0.0474","","","","0.0555","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151989","10.5991","0.0004","6.3352","0.0002","11.6093","0.0005","90","","93.8504","0.0016","90","","777.77","0.05","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","1","","Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L.","Spirocyclic systems derived from pyroglutamic acid.","Organic & biomolecular chemistry","2011","9","20","7042","7056","10.1039/c1ob05708a","","","0.71073","MoKα","","","0.0313","","","","0.035","","","","","","1.0537","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151990","10.34","0.003","9.733","0.003","18.073","0.005","90","","106.331","0.005","90","","1745.5","0.9","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.0431","0.0341","","","0.0804","0.0896","","","","","","0.985","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151991","13.3376","0.0019","14.03","0.002","17.956","0.003","88.064","0.005","70.67","0.004","73.874","0.005","3039.6","0.8","100","2","100","2","","","101.325","","","","synthesis","4","P 1","P 1","1","alpha gamma mixed peptide","(S,E)-ethyl 4-((S)-2-(tert-butoxycarbonylamino)propanamido) -5-methylhex-2-enoate Chemical Formula: C17H30N2O5","","- C17 H30 N2 O5 -","- C17 H30 N2 O5 -","- C102 H180 N12 O30 -","6","6","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1817","0.0881","","","0.1946","0.2449","","","","","","0.99","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151992","10.669","0.002","9.092","0.002","15.882","0.004","90","","90.923","0.005","90","","1540.4","0.6","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","Boc-dgAib-OEt","(E)-ethyl 4-(tert-butoxycarbonylamino)-4-methylpent-2-enoate","","- C13 H24 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1649","0.0651","","","0.1879","0.2427","","","","","","0.986","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151993","10.153","0.003","10.273","0.003","16.191","0.005","90","","90","","90","","1688.7","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgI-OEt","(4S,5S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0912","0.0961","","","","","","1.023","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151994","5.053","0.002","9.812","0.005","13.498","0.006","73.64","0.009","84.653","0.009","78.566","0.009","628.9","0.5","100","2","100","2","","","101.325","","","","Synthesis","4","P 1","P 1","1","","","","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","1","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1066","0.0663","","","0.1509","0.1751","","","","","","1.036","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151995","9.978","0.004","10.083","0.003","16.904","0.006","90","","90","","90","","1700.7","1","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgV-OEt","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C56 H100 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1149","0.0581","","","0.1589","0.195","","","","","","1.003","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151996","27.199","0.003","6.8079","0.0008","16.539","0.002","90","","107.39","0.002","90","","2922.5","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Orenes, Raul-Angel; Vidal, Angel","Unprecedented intramolecular [3 + 2] cycloadditions of azido-ketenimines and azido-carbodiimides. Synthesis of indolo[1,2-a]quinazolines and tetrazolo[5,1-b]quinazolines.","Organic & biomolecular chemistry","2011","9","19","6741","6749","10.1039/c1ob05745f","","","0.71073","MoKα","","0.0602","0.054","","","0.1222","0.1259","","","","","","1.143","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151997","19.4794","0.0008","12.5963","0.0005","13.921","0.0006","90","","98.538","0.002","90","","3377.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 Cl2 N4 O2 -","- C43 H34 Cl2 N4 O2 -","- C172 H136 Cl8 N16 O8 -","4","0.5","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Orenes, Raul-Angel; Vidal, Angel","Unprecedented intramolecular [3 + 2] cycloadditions of azido-ketenimines and azido-carbodiimides. Synthesis of indolo[1,2-a]quinazolines and tetrazolo[5,1-b]quinazolines.","Organic & biomolecular chemistry","2011","9","19","6741","6749","10.1039/c1ob05745f","","","0.71073","MoKα","","0.0589","0.0542","","","0.1384","0.1424","","","","","","1.017","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151998","11.7115","0.0011","14.9304","0.0015","11.9095","0.0012","90","","118.098","0.001","90","","1837","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C84 H80 N8 O24 -","4","1","","Dou, Guolan; Shi, Daqing","One pot synthesis of cis-bispyrimidodiazepinone derivatives via low-valent titanium reagent (TiCl(4)/Sm).","Organic & biomolecular chemistry","2011","9","20","7065","7070","10.1039/c1ob05791j","","","0.71073","MoKα","","0.1054","0.0459","","","0.083","0.1058","","","","","","1.122","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151999","7.779","0.0016","8.9198","0.0018","12.746","0.003","99.79","0.03","105.99","0.03","107.38","0.03","780.1","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 O6 P -","- C15 H19 O6 P -","- C30 H38 O12 P2 -","2","1","","Yu, Jipan; Zhao, Xiaona; Miao, Zhiwei; Chen, Ruyu","Highly diastereoselective vinylogous Mukaiyama aldol reaction of α-keto phosphonates with 2-(trimethylsilyloxy)furan catalyzed by Cu(OTf)(2).","Organic & biomolecular chemistry","2011","9","19","6721","6726","10.1039/c1ob05822c","","","0.71073","MoKα","","0.0462","0.0378","","","0.1005","0.1056","","","","","","1.028","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7152000","9.859","0.002","17.767","0.004","12.361","0.003","90","","91.25","0.03","90","","2164.7","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H44 N4 Ni O6 S -","- C43.5 H43.5 N4 Ni O6.25 S -","- C87 H87 N8 Ni2 O12.5 S2 -","2","1","","Song, Guowei; Jin, Meihong; Li, Zhenjiang; Ouyang, Pingkai","Asymmetric synthesis of α,β-diamino acid derivates via Mannich-type reactions of a chiral Ni(ii) complex of glycine with N-tosyl imines.","Organic & biomolecular chemistry","2011","9","20","7144","7150","10.1039/c1ob05848g","","","0.71073","MoKα","","0.1003","0.0678","","","0.1661","0.1919","","","","","","1.065","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152001","6.09459","0.00014","7.56496","0.00017","33.7307","0.0008","84.8926","0.0019","87.4794","0.0019","88.9974","0.0018","1547.35","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 F17 Ge -","- C31.997 H23 F16.991 Ge -","- C63.994 H46 F33.982 Ge2 -","2","1","","Carr, James L.; Sejberg, Jimmy J. P.; Saab, Fabienne; Holdom, Mary D.; Davies, Anna M.; White, Andrew J. P.; Leatherbarrow, Robin J.; Beavil, Andrew J.; Sutton, Brian J.; Lindell, Stephen D.; Spivey, Alan C.","Synthesis of the C19 methyl ether of aspercyclide A via germyl-Stille macrocyclisation and ELISA evaluation of both enantiomers following optical resolution.","Organic & biomolecular chemistry","2011","9","19","6814","6824","10.1039/c1ob05862b","","","1.54184","CuKα","","0.0609","0.0517","","","0.1368","0.1415","","","","","","1.047","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152002","5.8122","0.0004","17.1465","0.0014","36.266","0.003","90","","93.295","0.001","90","","3608.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 O4 S6 -","- C18.6305 H19.6305 O2 S2.8695 -","- C149.044 H157.044 O16 S22.956 -","8","2","","Das, Soumyajit; Bedi, Anjan; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Cyclopenta[c]selenophene based cooligomers and their polymers: comparative study with thiophene analogues.","Organic & biomolecular chemistry","2011","9","20","6963","6972","10.1039/c1ob05866e","","","0.71073","MoKα","","0.1638","0.1515","","","0.4817","0.5028","","","","","","2.401","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152003","5.7974","0.0007","17.042","0.002","41.927","0.005","90","","90.92","0.005","90","","4141.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br2 O2 S2 Se -","- C19 H18 Br2 O2 S2 Se -","- C152 H144 Br16 O16 S16 Se8 -","8","2","","Das, Soumyajit; Bedi, Anjan; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Cyclopenta[c]selenophene based cooligomers and their polymers: comparative study with thiophene analogues.","Organic & biomolecular chemistry","2011","9","20","6963","6972","10.1039/c1ob05866e","","","0.71073","MoKα","","0.0983","0.0467","","","0.124","0.1575","","","","","","0.937","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152004","16.814","0.004","13.493","0.003","8.7591","0.0018","90","","100.732","0.005","90","","1952.4","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O5 -","- C25 H18 N2 O5 -","- C100 H72 N8 O20 -","4","1","","Kudale, Amit A.; Miller, David O.; Dawe, Louise N.; Bodwell, Graham J.","Intramolecular Povarov reactions involving 3-aminocoumarins.","Organic & biomolecular chemistry","2011","9","20","7196","7206","10.1039/c1ob05867c","","","0.7107","MoKα","","0.1154","0.0992","","","0.1784","0.1859","","","","","","1.305","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152005","16.4686","0.0019","16.933","0.0019","36.391","0.004","90","","90","","90","","10148","2","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C51 H62 Br2 O10 -","- C51 H62 Br2 O10 -","- C408 H496 Br16 O80 -","8","1","","Liu, Luzhi; Cao, Derong; Jin, Yi; Tao, Hongqi; Kou, Yuhui; Meier, Herbert","Efficient synthesis of copillar[5]arenes and their host-guest properties with dibromoalkanes.","Organic & biomolecular chemistry","2011","9","20","7007","7010","10.1039/c1ob05871a","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152006","7.6651","0.0006","13.1131","0.0009","29.874","0.002","90","","90","","90","","3002.7","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H34 N2 O12 -","- C28 H34 N2 O12 -","- C112 H136 N8 O48 -","4","0.5","","Wang, Liang; Xia, Xu-Dong; Guo, Wei; Chen, Jia-Rong; Xiao, Wen-Jing","Palladium-catalyzed C-H acetoxylation of 2-methoxyimino-2-aryl-acetates and acetamides.","Organic & biomolecular chemistry","2011","9","20","6895","6898","10.1039/c1ob05887h","","","0.71073","MoKα","","0.0485","0.0418","","","0.1173","0.1216","","","","","","1.054","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152007","9.636","0.002","9.93","0.002","14.63","0.003","88.48","0.002","85.747","0.002","80.272","0.002","1375.8","0.5","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","2","","Yu, Xingxin; Yang, Qin; Lou, Honglei; Peng, Yiyuan; Wu, Jie","An efficient approach to pyrazolo[5,1-a]isoquinolin-2-amines via a silver(i)-catalyzed three-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, and nitrile.","Organic & biomolecular chemistry","2011","9","20","7033","7037","10.1039/c1ob05917c","","","0.71073","MoKα","","0.0581","0.0507","","","0.1335","0.1436","","","","","","1.071","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152008","8.4105","0.0017","5.6321","0.0011","10.022","0.002","90","","107.78","0.003","90","","452.05","0.16","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","","Devi, Rema B.; Henrot, Matthias; De Paolis, Michaël; Maddaluno, Jacques","Domino alkylation/oxa-Michael of 1,3-cyclohexanediones: Steering the C/O-chemoselectivity to reach tetrahydrobenzofuranones.","Organic & biomolecular chemistry","2011","9","19","6509","6512","10.1039/c1ob05923h","","x-ray","0.71073","MoKα","","0.0366","0.0354","","","0.0966","0.098","","","","","","1.061","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152009","24.215","0.004","14.85","0.002","16.053","0.002","90","","124.684","0.003","90","","4746.8","1.2","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Co N6 O2 -","- C24 H18 Cl2 Co N6 O2 -","- C192 H144 Cl16 Co8 N48 O16 -","8","1","","Das, Sudipta; Guha, Subarna; Banerjee, Arnab; Lohar, Sisir; Sahana, Animesh; Das, Debasis","2-(2-Pyridyl) benzimidazole based Co(ii) complex as an efficient fluorescent probe for trace level determination of aspartic and glutamic acid in aqueous solution: A displacement approach.","Organic & biomolecular chemistry","2011","9","20","7097","7104","10.1039/c1ob05951c","","","0.71073","MoKα","","0.0862","0.0539","","","0.1435","0.1613","","","","","","1.044","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152010","18.004","0.003","39.249","0.006","8.1408","0.0011","90","","90","","90","","5752.6","1.5","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C288 H240 N16 O48 -","16","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0476","0.0391","","","0.0546","0.0557","","","","","","1.675","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152011","10.6098","0.0013","18.036","0.002","9.5122","0.0012","90","","98.751","0.001","90","","1799","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0495","0.0403","","","0.0985","0.1039","","","","","","1.027","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152012","29.149","0.006","7.5081","0.0015","15.387","0.003","90","","107.3","0.002","90","","3215.2","1.1","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0693","0.0448","","","0.0954","0.1059","","","","","","1.03","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152013","5.1207","0.0004","18.0019","0.0011","5.8831","0.0005","90","","109.066","0.008","90","","512.57","0.07","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-tert-butyl (2-oxothietan-3-yl)carbamate","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C16 H26 N2 O6 S2 -","2","1","","Aubry, Sylvain; Sasaki, Kaname; Eloy, Laure; Aubert, Geneviève; Retailleau, Pascal; Cresteil, Thierry; Crich, David","Exploring the potential of the β-thiolactones in bioorganic chemistry.","Organic & biomolecular chemistry","2011","9","20","7134","7143","10.1039/c1ob05967j","","","1.54187","CuKα","","0.0719","0.0539","","","0.126","0.1749","","","","","","1.169","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152014","5.48411","0.00017","8.0007","0.0002","41.2338","0.0012","90","","90.353","0.003","90","","1809.17","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N3 O2 S -","- C17 H25 N3 O2 S -","- C68 H100 N12 O8 S4 -","4","1","","Craig, Donald; Harvey, John W.; O'Brien, Alexander G; White, Andrew J. P.","Claisen rearrangements of equilibrating allylic azides.","Organic & biomolecular chemistry","2011","9","20","7057","7061","10.1039/c1ob05972f","","","0.71073","MoKα","","0.1493","0.1083","","","0.1913","0.2018","","","","","","1.212","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152015","13.7746","0.0009","11.7176","0.0008","19.9018","0.0012","90","","127.838","0.004","90","","2536.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1128","0.0434","","","0.0731","0.0843","","","","","","0.853","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152016","10.4445","0.001","14.899","0.002","16.596","0.002","90","","90","","90","","2582.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1486","0.0554","","","0.1058","0.1299","","","","","","0.909","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152017","8.3411","0.0013","17.2794","0.0017","12.2343","0.0019","90","","98.713","0.005","90","","1743","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1036","0.0456","","","0.0945","0.1098","","","","","","0.879","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152018","14.6003","0.0006","17.4066","0.0008","9.8449","0.0003","90","","115.519","0.002","90","","2257.91","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H25 N O5 -","- C26 H25 N O5 -","- C104 H100 N4 O20 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.045","0.0334","","","0.0713","0.0749","","","","","","1.045","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152019","10.9806","0.0006","8.1088","0.0004","26.2218","0.0015","90","","90","","90","","2334.8","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.09","0.0412","","","0.0945","0.1257","","","","","","1.009","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152020","7.9089","0.0007","9.6396","0.0009","10.547","0.008","90.566","0.005","97.78","0.005","97.777","0.004","789","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C34 H48 N4 O6 -","2","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.0923","0.0514","","","0.1151","0.129","","","","","","1.06","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152021","10.8021","0.0012","10.5357","0.0007","13.5435","0.0012","90","","124.2","0.006","90","","1274.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Br N2 O3 -","- C12 H15 Br N2 O3 -","- C48 H60 Br4 N8 O12 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.0608","0.0372","","","0.0777","0.084","","","","","","1.012","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152022","11.9261","0.0005","17.9405","0.0014","15.2365","0.0011","90","","96.061","0.004","90","","3241.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","2","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.116","0.0504","","","0.0984","0.1154","","","","","","0.92","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152023","10.0665","0.0017","8.4236","0.0014","12.792","0.002","90","","96.133","0.003","90","","1078.5","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N O3 S2 -","- C21 H29 N O3 S2 -","- C42 H58 N2 O6 S4 -","2","1","","Zhang, Hua; Li, Ya; Xu, Wei; Zheng, Wenrui; Zhou, Pei; Sun, Zhihua","Practical and stereoselective synthesis of β-amino sulfones from alkyl phenyl sulfones and N-(tert-butylsulfinyl) aldimines.","Organic & biomolecular chemistry","2011","9","19","6502","6505","10.1039/c1ob05992k","","","0.71073","MoKα","","0.0295","0.028","","","0.0722","0.0735","","","","","","1.045","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152024","9.3107","0.0007","9.3161","0.0007","11.1998","0.0011","92.711","0.004","114.378","0.003","100.866","0.003","860.44","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","5-phenyldihydroazulene","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","1","","Skov, Louise; Petersen, Michael Åxman; Broman, Søren Lindbæk; Bond, Andrew D.; Nielsen, Mogens Brøndsted","New synthetic route to substituted dihydroazulene photoswitches.","Organic & biomolecular chemistry","2011","9","19","6498","6501","10.1039/c1ob06059g","","","0.71073","MoKα","","0.0444","0.0349","","","0.0852","0.0907","","","","","","1.032","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152025","8.494","0.002","11.25","0.003","14.974","0.004","90","","93.01","0.004","90","","1428.9","0.6","446","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-(diphenylphosphoryl)((S)-1-(quinolin-8-ylsulfonyl)pyrrolidin-2-yl)methanol","","- C30 H33 N2 O6 P S -","- C30 H33 N2 O6 P S -","- C60 H66 N4 O12 P2 S2 -","2","1","","Zeng, Zhiping; Luo, Ping; Jiang, Yao; Liu, Yan; Tang, Guo; Xu, Pengxiang; Zhao, Yufen; Blackburn, G. Michael","Chiral phosphoproline-catalyzed asymmetric Michael addition of ketones to nitroolefins: an experimental and theoretical study.","Organic & biomolecular chemistry","2011","9","20","6973","6978","10.1039/c1ob06143g","","","0.71073","MoKα","","0.0522","0.0485","","","0.1243","0.1265","","","","","","1.037","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152026","10.2884","0.0003","13.649","0.0003","18.6062","0.0005","110.437","0.002","95.594","0.002","91.674","0.002","2431.07","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H15.5 N6 O2.75 -","- C9 H15.5 N6 O2.75 -","- C72 H124 N48 O22 -","8","4","","González-Jiménez, Mario; Arenas-Valgañón, Jorge; Calle, Emilio; Casado, Julio","Aromatic C-nitrosation of a bioactive molecule. Nitrosation of minoxidil.","Organic & biomolecular chemistry","2011","9","22","7680","7684","10.1039/c1ob05686g","","","1.54178","CuKα","","0.0463","0.0414","","","0.1096","0.1164","","","","","","1.037","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152027","30.3355","0.0008","7.26159","0.00018","18.3813","0.0005","90","","100.442","0.002","90","","3982.05","0.18","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Cl2 Fe O7 -","- C19 H18 Cl2 Fe O7 -","- C152 H144 Cl16 Fe8 O56 -","8","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0281","0.0233","","","0.0618","0.063","","","","","","1.068","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152028","10.1269","0.0004","10.2163","0.0003","12.6671","0.0003","100.953","0.002","106.792","0.003","110.272","0.003","1113.84","0.07","100.2","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Fe O7 -","- C24 H26 Fe O7 -","- C48 H52 Fe2 O14 -","2","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0386","0.031","","","0.0685","0.0723","","","","","","1.063","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152029","9.7069","0.0002","13.1541","0.0003","16.1134","0.0004","90","","91.268","0.001","90","","2056.94","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Fe O7 -","- C21 H22 Fe O7 -","- C84 H88 Fe4 O28 -","4","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","1.54178","CuKα","","0.0293","0.0261","","","0.0663","0.0678","","","","","","0.986","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152030","10.2155","0.0004","10.6315","0.0004","13.011","0.0005","102.007","0.003","106.062","0.003","110.218","0.003","1199.83","0.09","100.1","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 Fe O7 -","- C26 H30 Fe O7 -","- C52 H60 Fe2 O14 -","2","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0576","0.045","","","0.1062","0.1155","","","","","","1.057","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152031","6.94866","0.00009","15.94213","0.00019","36.7435","0.0005","90","","93.4868","0.0012","90","","4062.78","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Fe O7 -","- C21 H22 Fe O7 -","- C168 H176 Fe8 O56 -","8","2","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0476","0.0364","","","0.0869","0.089","","","","","","1.141","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152032","7.525","0.003","10.852","0.004","11.633","0.004","103.951","0.006","105.568","0.007","99.03","0.006","862.8","0.6","294","2","294","2","","","","","","","","4","P -1","-P 1","2","racemic cyclo(2-hydroxy-2-((3,4,5- trimethyloxy)phenylmethyl)glycyl-prolyl","racemic cyclo[2-hydroxy-2-[(3,4,5-trimethyloxy)phenylmethyl]glycyl-prolyl","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C34 H44 N4 O12 -","2","1","","Liu, Shouxin; Mu, Yun; Han, Jianrong; Zhen, Xiaoli; Yang, Yihua; Tian, Xia; Whiting, Andrew","Stereoselective synthesis and rearrangement-fragmentation of arylidene N-alkoxydiketopiperazines.","Organic & biomolecular chemistry","2011","9","21","7476","7481","10.1039/c1ob05722g","","","0.71073","MoKα","","0.1443","0.0579","","","0.1453","0.1914","","","","","","1.057","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152033","9.7941","0.0014","10.3009","0.0015","17.223","0.002","90","","90","","90","","1737.6","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-cyclo(N-cyclohexyloxy-2-((beta-pyridyl) methylene)glycyl- prolyl","(S)-cyclo[N-cyclohexyloxy-2-[(β-pyridyl) methylene]glycyl-prolyl","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Liu, Shouxin; Mu, Yun; Han, Jianrong; Zhen, Xiaoli; Yang, Yihua; Tian, Xia; Whiting, Andrew","Stereoselective synthesis and rearrangement-fragmentation of arylidene N-alkoxydiketopiperazines.","Organic & biomolecular chemistry","2011","9","21","7476","7481","10.1039/c1ob05722g","","","0.71073","MoKα","","0.0458","0.0321","","","0.0741","0.0829","","","","","","1.039","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152034","6.9814","0.0002","20.5732","0.0006","9.8023","0.0002","90","","105.643","0.001","90","","1355.75","0.06","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N4 Se2 -","- C11 H16 N4 Se2 -","- C44 H64 N16 Se8 -","4","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.0436","0.0293","","","0.0663","0.0872","","","","","","1.646","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152035","6.893","0.002","20.222","0.006","9.776","0.003","90","","106.617","0.005","90","","1305.8","0.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N4 S2 -","- C11 H16 N4 S2 -","- C44 H64 N16 S8 -","4","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.0594","0.0407","","","0.1011","0.1131","","","","","","1.036","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152036","11.551","0.0006","8.8676","0.0004","14.669","0.0009","90","","107.566","0.003","90","","1432.48","0.13","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N4 Se2 -","- C12 H18 N4 Se2 -","- C48 H72 N16 Se8 -","4","0.5","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.0576","0.0404","","","0.0982","0.11","","","","","","1.047","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152037","11.7252","0.0009","8.7848","0.0007","33.465","0.003","90","","90","","90","","3447","0.5","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H20 N4 Se2 -","- C13 H20 N4 Se2 -","- C104 H160 N32 Se16 -","8","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.1313","0.0601","","","0.127","0.1419","","","","","","0.837","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152038","16.89","0.04","15.29","0.04","16.64","0.04","90","","110.63","0.03","90","","4022","17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Cl4 N7 O2 -","- C44 H45 Cl4 N7 O2 -","- C176 H180 Cl16 N28 O8 -","4","1","","Kolesnikov, Grigory V.; German, Konstantin E.; Kirakosyan, Gayane; Tananaev, Ivan G.; Ustynyuk, Yuri A.; Khrustalev, Victor N.; Katayev, Evgeny A.","Macrocyclic receptor for pertechnetate and perrhenate anions.","Organic & biomolecular chemistry","2011","9","21","7358","7364","10.1039/c1ob05873h","","","0.71073","MoKα","","0.3707","0.0906","","","0.1391","0.2213","","","","","","0.876","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152039","27.4384","0.001","5.6289","0.0002","22.7063","0.0008","90","","112.241","0.003","90","","3246","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Cl2 O6 -","- C17 H16 Cl2 O6 -","- C136 H128 Cl16 O48 -","8","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0339","0.0264","","","0.0702","0.0719","","","","","","1.016","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152040","8.2989","0.0006","10.1312","0.0007","10.4773","0.0007","86.56","0.005","83.809","0.005","70.127","0.005","823.36","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C36 H36 O16 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0497","0.0365","","","0.0938","0.0971","","","","","","1.065","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152041","10.152","0.002","8.2423","0.0016","12.511","0.003","90","","99.49","0.03","90","","1032.5","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 O7 -","- C25 H22 O7 -","- C50 H44 O14 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0315","0.0276","","","0.0677","0.0688","","","","","","0.983","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152042","7.9176","0.0004","11.1261","0.0006","11.5814","0.0007","89.052","0.005","80.895","0.004","77.206","0.004","982.18","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O8 -","- C23 H20 O8 -","- C46 H40 O16 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0527","0.0326","","","0.0741","0.0773","","","","","","0.85","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152043","9.7224","0.0003","8.1879","0.0002","23.1457","0.0008","90","","95.519","0.003","90","","1834","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl O7 -","- C20 H19 Cl O7 -","- C80 H76 Cl4 O28 -","4","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0446","0.0303","","","0.072","0.0743","","","","","","0.968","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152044","9.0595","0.0004","11.5721","0.0005","15.5179","0.0006","73.732","0.003","84.917","0.003","87.568","0.003","1555.32","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 Br O7 -","- C33 H45 Br O7 -","- C66 H90 Br2 O14 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.058","0.0343","","","0.0633","0.0669","","","","","","0.874","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152045","8.023","","15.891","","22.67","","90","","97.96","","90","","2862.43","","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C144 H104 F8 N16 O8 -","8","1","","Huang, Aiping; Liu, Feng; Zhan, Chunjing; Liu, Yanli; Ma, Chen","One-pot synthesis of pyrrolo[1,2-a]quinoxalines.","Organic & biomolecular chemistry","2011","9","21","7351","7357","10.1039/c1ob05936j","","","0.71073","MoKα","","0.0772","0.0495","","","0.1248","0.1443","","","","","","1.018","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152046","9.032","0.002","9.319","0.002","9.925","0.002","88.946","0.002","73.298","0.002","65.822","0.002","725.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Huang, Aiping; Liu, Feng; Zhan, Chunjing; Liu, Yanli; Ma, Chen","One-pot synthesis of pyrrolo[1,2-a]quinoxalines.","Organic & biomolecular chemistry","2011","9","21","7351","7357","10.1039/c1ob05936j","","","0.71073","MoKα","","0.0787","0.0563","","","0.1758","0.2001","","","","","","0.96","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152047","7.5097","0.0005","14.8345","0.001","27.016","0.002","90","","90","","90","","3009.7","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-1-((E)-3-(4-nitrophenyl)allylidene)- 3,4-dihydronaphthalen-2(1H)-one","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C152 H120 N8 O24 -","8","1","","Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin","Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2011","9","21","7510","7516","10.1039/c1ob05966a","","","0.71073","MoKα","","0.0633","0.0412","","","0.0956","0.1065","","","","","","1.024","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152048","5.935","0.0001","14.0588","0.0003","17.2947","0.0005","90","","90","","90","","1443.05","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-phenyl-5,6-dihydro-1H-benzo[f]chromen -3(2H)-one","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin","Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2011","9","21","7510","7516","10.1039/c1ob05966a","","","0.71073","MoKα","","0.0745","0.0446","","","0.1014","0.1232","","","","","","1.155","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152049","8.096","0.001","8.215","0.001","18.205","0.002","84.374","0.006","81.515","0.005","79.197","0.005","1173.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu N6 O8 -","- C24 H22 Cu N6 O8 -","- C48 H44 Cu2 N12 O16 -","2","1","","Roy, Basab; Rao, Alla Sreenivasa; Ahn, Kyo Han","Mononuclear Zn(ii)- and Cu(ii)-complexes of a hydroxynaphthalene-derived dipicolylamine: fluorescent sensing behaviours toward pyrophosphate ions.","Organic & biomolecular chemistry","2011","9","22","7774","7779","10.1039/c1ob05999h","","","0.71073","MoKα","","0.0429","0.0332","","","0.0825","0.0862","","","","","","1.035","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152050","10.6578","0.0002","32.0622","0.0006","12.1186","0.0003","90","","100.604","0.001","90","","4070.36","0.15","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 B Cl2 F6 N6 O2 -","- C41 H41 B Cl2 F6 N6 O2 -","- C164 H164 B4 Cl8 F24 N24 O8 -","4","1","","Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne","Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.","Organic & biomolecular chemistry","2011","9","21","7400","7410","10.1039/c1ob06048a","","x-ray","0.71073","MoKα","","0.082","0.0526","","","0.1367","0.1581","","","","","","1.038","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152051","17.3524","0.0003","11.5299","0.0002","18.2276","0.0003","90","","112.482","0.001","90","","3369.66","0.1","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 B Cl F6 N4 O0.5 -","- C34 H34 B Cl F6 N4 O0.5 -","- C136 H136 B4 Cl4 F24 N16 O2 -","4","1","","Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne","Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.","Organic & biomolecular chemistry","2011","9","21","7400","7410","10.1039/c1ob06048a","","x-ray","0.71073","MoKα","","0.0914","0.0683","","","0.1917","0.2135","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152052","21.3858","0.0004","11.0501","0.0002","30.9188","0.0007","90","","108.77","0.001","90","","6918","0.2","100","2","100","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H36 B Cl F6 N4 O2.5 -","- C34.5 H36 B Cl F6 N4 O2.5 -","- C276 H288 B8 Cl8 F48 N32 O20 -","8","1","","Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne","Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.","Organic & biomolecular chemistry","2011","9","21","7400","7410","10.1039/c1ob06048a","","x-ray","0.71073","MoKα","","0.1021","0.0532","","","0.1132","0.1333","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152053","21.528","0.01","8.433","0.004","17.211","0.008","90","","94.65","0.016","90","","3114","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1'-cyclopropyl-4-methyl-1H,1'H-spiro[pyridine-2,2'- pyrido[2,3-d]pyrimidine]-3,4',6(3'H)-trione","","- C16.5 H17 N4 O3.5 -","- C16.5 H17 N4 O3.5 -","- C132 H136 N32 O28 -","8","1","","Antunes, Alexandra M. M.; Novais, David A.; Ferreira da Silva, J. L.; Santos, Pedro P.; Conceição Oliveira, M; Beland, Frederick A.; Matilde Marques, M.","Synthesis and oxidation of 2-hydroxynevirapine, a metabolite of the HIV reverse transcriptase inhibitor nevirapine.","Organic & biomolecular chemistry","2011","9","22","7822","7835","10.1039/c1ob06052j","","","0.71073","MoKα","","0.1389","0.0591","","","0.1096","0.1384","","","","","","0.954","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7152054","11.398","0.005","12.638","0.005","20.547","0.011","107.151","0.012","96.768","0.012","103.674","0.008","2691","2","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C39 H26 -","- C39 H26 -","- C156 H104 -","4","2","","Wang, Xiang-Chuan; Hu, Jie; Sun, Peng-Shuai; Zhong, Mei-Jin; Ali, Shaukat; Liang, Yong-Min","Copper-catalyzed dimerization fragmentation cyclization reactions of (E)-1-en-4-yn-3-ols as a versatile approach for the synthesis of multisubstituted 1H-cyclopenta[b]naphthalenes.","Organic & biomolecular chemistry","2011","9","21","7461","7467","10.1039/c1ob06087b","","","0.71073","MoKα","","0.1886","0.1369","","","0.3978","0.4315","","","","","","1.052","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152055","8.1131","0.0017","10.109","0.002","25.357","0.006","90","","90","","90","","2079.7","0.8","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 N2 O5 -","- C20 H32 N2 O5 -","- C80 H128 N8 O20 -","4","1","","Aitken, David J.; Drouin, Ludovic; Goretta, Sarah; Guillot, Régis; Ollivier, Jean; Spiga, Marco","Stereoselective preparation of β,γ-methano-GABA derivatives.","Organic & biomolecular chemistry","2011","9","21","7517","7524","10.1039/c1ob06095c","","x-ray","0.71073","MoKα","","0.0758","0.0532","","","0.1137","0.1231","","","","","","1.088","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152056","7.9874","0.0003","11.8978","0.0005","12.6662","0.0006","70.213","0.002","73.984","0.002","81.497","0.002","1086.69","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","Dupeyre, Grégory; Lemoine, Pascale; Ainseba, Nabila; Michel, Sylvie; Cachet, Xavier","A one-pot synthesis of 7-phenylindolo[3,2-a]carbazoles from indoles and β-nitrostyrenes, via an unprecedented reaction sequence.","Organic & biomolecular chemistry","2011","9","22","7780","7790","10.1039/c1ob06108a","","","0.71073","MoKα","","0.0905","0.0545","","","0.1266","0.1519","","","","","","0.959","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152057","11.6427","0.0003","11.6427","0.0003","24.4087","0.0011","90","","90","","90","","3308.66","0.19","123","2","123","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","10200","","","- C16 H19 Br O5 -","- C16 H19 Br O5 -","- C128 H152 Br8 O40 -","8","1","","Tello-Aburto, Rodolfo; Kalstabakken, Kyle A.; Volp, Kelly A.; Harned, Andrew M.","Regioselective and stereoselective cyclizations of cyclohexadienones tethered to active methylene groups.","Organic & biomolecular chemistry","2011","9","22","7849","7859","10.1039/c1ob06125a","","","0.71073","MoKα","","0.0288","0.0271","","","0.0741","0.0754","","","","","","1.022","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152058","10.5256","0.0002","12.1392","0.0002","20.3601","0.0003","90","","90","","90","","2601.46","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br N2 O8 -","- C25 H31 Br N2 O8 -","- C100 H124 Br4 N8 O32 -","4","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Banerjee, Atoshi; Banerjee, Sharmistha","Design, synthesis and biological evaluation of optically pure functionalized spiro[5,5]undecane-1,5,9-triones as HIV-1 inhibitors.","Organic & biomolecular chemistry","2011","9","21","7282","7286","10.1039/c1ob06133j","","","1.54184","CuKα","","0.0296","0.0295","","","0.079","0.0791","","","","","","1.111","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152059","7.6547","0.0009","10.415","0.0009","13.3157","0.0014","90","","90.1","","90","","1061.58","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br N2 O6 -","- C22 H25 Br N2 O6 -","- C44 H50 Br2 N4 O12 -","2","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Banerjee, Atoshi; Banerjee, Sharmistha","Design, synthesis and biological evaluation of optically pure functionalized spiro[5,5]undecane-1,5,9-triones as HIV-1 inhibitors.","Organic & biomolecular chemistry","2011","9","21","7282","7286","10.1039/c1ob06133j","","","1.54184","CuKα","","0.0753","0.0729","","","0.1686","0.1709","","","","","","1.02","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152060","7.1487","0.0008","13.2022","0.0014","28.639","0.003","90","","90","","90","","2702.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C112 H152 O32 -","4","1","","Wang, Jian-Rong; Liu, Hai-Li; Kurtán, Tibor; Mándi, Attila; Antus, Sándor; Li, Jia; Zhang, Hai-Yan; Guo, Yue-Wei","Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens.","Organic & biomolecular chemistry","2011","9","22","7685","7696","10.1039/c1ob06150j","","","0.71073","MoKα","","0.0785","0.0415","","","0.0847","0.0941","","","","","","0.857","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152061","10.208","0.0008","15.3825","0.0012","17.7371","0.0014","90","","90","","90","","2785.2","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O4 -","- C31 H50 O4 -","- C124 H200 O16 -","4","1","","Wang, Jian-Rong; Liu, Hai-Li; Kurtán, Tibor; Mándi, Attila; Antus, Sándor; Li, Jia; Zhang, Hai-Yan; Guo, Yue-Wei","Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens.","Organic & biomolecular chemistry","2011","9","22","7685","7696","10.1039/c1ob06150j","","","0.71073","MoKα","","0.0679","0.0574","","","0.1384","0.145","","","","","","1.015","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152062","10.3331","0.0003","10.8017","0.0003","18.4984","0.0005","90","0","102.951","0.045","90","0","2012.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Karabuga, Semistan; Cakici, Murat; Kazaz, Cavit; Sahin, Ertan; Kilic, Hamdullah; Ulukanli, Sabri","Synthesis of chiral sulfoximines derived from 3-aminoquinazolinones and their catalysis of enantioselective diethylzinc addition to aldehydes.","Organic & biomolecular chemistry","2011","9","22","7887","7896","10.1039/c1ob06205k","","","0.71073","MoKα","","0.084","0.0519","","","0.123","0.1461","","","","","","1.073","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152063","9.1743","0.0003","9.9834","0.0004","13.0708","0.0004","79.253","0.003","76.645","0.003","86.29","0.003","1144.07","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25.2 N O4.1 S2 -","- C25 H25 N O4.1 S2 -","- C50 H50 N2 O8.2 S4 -","2","1","","Camp, Jason E.; Craig, Donald; Funai, Kiyohiko; White, Andrew J. P.","Decarboxylative Claisen rearrangement reactions: synthesis and reactivity of alkylidene-substituted indolines.","Organic & biomolecular chemistry","2011","9","22","7904","7912","10.1039/c1ob06212c","","","0.71073","MoKα","","0.0569","0.0392","","","0.0991","0.1024","","","","","","0.988","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152064","23.93","0.003","9.1192","0.0004","17.171","0.002","90","","134.52","0.02","90","","2671.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","12b-Hydroxy-3-bromo-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-3-bromo-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C16 H12 Br N O2 -","- C16 H12 Br N O2 -","- C128 H96 Br8 N8 O16 -","8","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.053107","0.039394","","","","0.065956","","","","","","1.02533","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152065","7.9048","0.0008","7.9136","0.0011","10.4368","0.0015","78.413","0.013","87.471","0.01","76.97","0.01","623.11","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","12b-Hydroxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.1041","0.063","","","0.1558","0.1769","","","","","","1.044","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7152066","11.3081","0.0006","6.5772","0.0004","20.0573","0.0013","90","","90","","90","","1491.77","0.15","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","12b-Hydroxy-1,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-1,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.0711","0.0337","","","0.0569","0.062","","","","","","0.792","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152067","10.155","0.0002","19.4043","0.0005","9.8299","0.0003","90","","95.344","0.002","90","","1928.57","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O6 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.0597","0.0419","","","0.0999","0.1099","","","","","","1.005","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152068","11.7004","0.0012","15.9776","0.0013","7.1602","0.0006","90","","107.25","0.005","90","","1278.4","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0717","0.0441","","","0.1017","0.1172","","","","","","1.035","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152069","14.4432","0.0008","14.602","0.0008","14.6895","0.0008","64.035","0.001","76.977","0.001","61.12","","2438.5","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H23 F3 N7 O7.5 S -","- C19 H23 F3 N7 O7.5 S -","- C76 H92 F12 N28 O30 S4 -","4","2","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0663","0.0569","","","0.1408","0.1494","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152070","11.3994","0.0002","17.3955","0.0004","25.7476","0.0005","90","","102.612","0.001","90","","4982.51","0.17","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48 H44 N18 O13 -","- C48 H44 N18 O13 -","- C192 H176 N72 O52 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0742","0.0443","","","0.0898","0.1042","","","","","","1.014","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152071","11.863","0.004","9.081","0.003","10.47","0.004","90","","92.446","0.006","90","","1126.9","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Patel, Pitambar; Ramana, Chepuri V.","Divergent Pd(ii) and Au(iii) mediated nitroalkynol cycloisomerizations.","Organic & biomolecular chemistry","2011","9","21","7327","7334","10.1039/c0ob00858c","","","0.71073","MoKα","","0.0532","0.0459","","","0.114","0.1194","","","","","","1.083","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152072","5.075","0.002","10.398","0.004","24.245","0.01","90","","96.01","","90","","1272.4","0.9","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Patel, Pitambar; Ramana, Chepuri V.","Divergent Pd(ii) and Au(iii) mediated nitroalkynol cycloisomerizations.","Organic & biomolecular chemistry","2011","9","21","7327","7334","10.1039/c0ob00858c","","","0.71073","MoKα","","0.1332","0.0742","","","0.1322","0.1552","","","","","","1.068","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152073","5.122","0.003","10.084","0.006","16.501","0.01","90","","96.062","0.013","90","","847.5","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Boc-Ala-CuM","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","A facile transformation of amino acids to functionalized coumarins.","Organic & biomolecular chemistry","2011","9","23","8089","8095","10.1039/c1ob05815k","","x-ray","0.71073","MoKα","","0.0642","0.0481","","","0.1216","0.1331","","","","","","1.028","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152074","16.779","0.003","10.0638","0.0017","11.0022","0.0019","90","","103.905","0.004","90","","1803.4","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","A facile transformation of amino acids to functionalized coumarins.","Organic & biomolecular chemistry","2011","9","23","8089","8095","10.1039/c1ob05815k","","","0.71073","MoKα","","0.0409","0.0355","","","0.0896","0.0936","","","","","","1.053","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152075","8.044","0.0002","18.8305","0.0008","11.1262","0.0004","90","","101.736","0.002","90","","1650.08","0.1","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.1081","0.0583","","","0.1378","0.1634","","","","","","1.031","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152076","7.6826","0.0002","12.2144","0.0004","15.2964","0.0004","90","","90","","90","","1435.39","0.07","120","2","120","2","","","","","","","Pedro Cintas","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0366","0.0333","","","0.08","0.0819","","","","","","1.189","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152077","8.4367","0.0003","7.7374","0.0003","11.1697","0.0005","90","","90.964","0.003","90","","729.03","0.05","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0739","0.0538","","","0.1057","0.1174","","","","","","1.206","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152078","8.5131","0.0002","12.4731","0.0004","15.8417","0.0005","90","","103.012","0.002","90","","1638.95","0.08","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","NAFTBU","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0939","0.0571","","","0.1401","0.1604","","","","","","1.054","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152079","17.7484","0.0004","15.5301","0.0004","26.3541","0.0007","90","","106.562","0.001","90","","6962.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 N6 O8 S4 -","- C62 H98 N6 O8 S4 -","- C248 H392 N24 O32 S16 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0882","0.0741","","","0.2275","0.2455","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152080","25.4032","0.0011","25.5614","0.0011","23.8466","0.0008","90","","93.307","0.003","90","","15458.8","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 F12 N3 O4 S2 -","- C36 H31 F12 N3 O4 S2 -","- C576 H496 F192 N48 O64 S32 -","16","2","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.1601","0.1261","","","0.3797","0.4047","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152081","18.6703","0.0005","10.3143","0.0003","25.8835","0.0006","90","","90","","90","","4984.4","0.2","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 Cl F12 N4 O4 S2 -","- C44 H51 Cl F12 N4 O4 S2 -","- C176 H204 Cl4 F48 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0922","0.0739","","","0.2217","0.2581","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152082","18.7203","0.0005","10.3816","0.0003","25.9329","0.0006","90","","90","","90","","5040","0.2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 Br F12 N4 O4 S2 -","- C44 H51 Br F12 N4 O4 S2 -","- C176 H204 Br4 F48 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0615","0.0527","","","0.1505","0.1623","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152083","18.8303","0.0005","10.4962","0.0003","26.058","0.0007","90","","90","","90","","5150.3","0.2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 F12 I N4 O4 S2 -","- C44 H51 F12 I N4 O4 S2 -","- C176 H204 F48 I4 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0556","0.044","","","0.1169","0.1272","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152084","7.5836","0.0005","16.6354","0.0015","16.7866","0.001","90","","97.485","0.008","90","","2099.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl3 N2 O -","- C24 H15 Cl3 N2 O -","- C96 H60 Cl12 N8 O4 -","4","1","","Grotkopp, Oliver; Ahmad, Atia; Frank, Walter; Müller, Thomas J J","Blue-luminescent 5-(3-indolyl)oxazoles via microwave-assisted three-component coupling-cycloisomerization-Fischer indole synthesis.","Organic & biomolecular chemistry","2011","9","23","8130","8140","10.1039/c1ob06153d","","","0.71073","MoKα","","0.1556","0.0387","","","0.0501","0.0623","","","","","","0.936","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152085","8.751","0.003","10.6327","0.0017","21.676","0.006","90","","100.49","0.03","90","","1983.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-{4-[1-(pyridin-2-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl} -3-[4-(trifluoromethyl)phenyl]urea","","- C22 H17 F3 N6 O -","- C22 H17 F3 N6 O -","- C88 H68 F12 N24 O4 -","4","1","","Bergamaschi, Greta; Boiocchi, Massimo; Monzani, Enrico; Amendola, Valeria","Pyridinium/urea-based anion receptor: methine formation in the presence of basic anions.","Organic & biomolecular chemistry","2011","9","24","8276","8283","10.1039/c1ob06193c","","","0.71073","MoKα","","0.0992","0.0737","","","0.1688","0.1916","","","","","","1.057","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152086","4.9152","0.0002","9.6665","0.0004","50.7258","0.0018","90","","90","","90","","2410.12","0.16","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H45 N O3 -","- C25 H45 N O3 -","- C100 H180 N4 O12 -","4","1","","Rives, Arnaud; Baudoin-Dehoux, Cécile; Saffon, Nathalie; Andrieu-Abadie, Nathalie; Génisson, Yves","Asymmetric synthesis and cytotoxic activity of isomeric phytosphingosine derivatives.","Organic & biomolecular chemistry","2011","9","23","8163","8170","10.1039/c1ob06195j","","","0.71073","MoKα","","0.0977","0.0509","","","0.0903","0.1049","","","","","","1.027","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152087","10.2997","0.0005","4.987","0.0003","24.6551","0.0013","90","","92.668","0.004","90","","1265.03","0.12","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H45 N O3 -","- C25 H45 N O3 -","- C50 H90 N2 O6 -","2","1","","Rives, Arnaud; Baudoin-Dehoux, Cécile; Saffon, Nathalie; Andrieu-Abadie, Nathalie; Génisson, Yves","Asymmetric synthesis and cytotoxic activity of isomeric phytosphingosine derivatives.","Organic & biomolecular chemistry","2011","9","23","8163","8170","10.1039/c1ob06195j","","","0.71073","MoKα","","0.0831","0.0545","","","0.1405","0.1557","","","","","","1.071","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152088","9.978","0.003","10.704","0.003","17.817","0.006","74.1","0.02","81.31","0.02","81.28","0.02","1796.9","1","150","1","150","1","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C38 H28 Cl4 N4 O10 -","- C38 H28 Cl4 N4 O10 -","- C76 H56 Cl8 N8 O20 -","2","2","","Lemouchi, Cyprien; Simonov, Sergey; Zorina, Leokadiya; Gautier, Christelle; Hudhomme, Piétrick; Batail, Patrick","Amino acid derivatives of perylenediimide and their N-HO peptide bond dipoles-templated solid state assembly into stacks.","Organic & biomolecular chemistry","2011","9","23","8096","8101","10.1039/c1ob06213a","","","0.71073","MoKα","","0.1485","0.0713","","","0.1169","0.1354","","","","","","1.015","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152089","10.019","0.002","16.372","0.003","49.573","0.009","90","","90","","90","","8132","3","150","1","150","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Cl4 N4 O10 -","- C42 H36 Cl4 N4 O10 -","- C336 H288 Cl32 N32 O80 -","8","2","","Lemouchi, Cyprien; Simonov, Sergey; Zorina, Leokadiya; Gautier, Christelle; Hudhomme, Piétrick; Batail, Patrick","Amino acid derivatives of perylenediimide and their N-HO peptide bond dipoles-templated solid state assembly into stacks.","Organic & biomolecular chemistry","2011","9","23","8096","8101","10.1039/c1ob06213a","","","0.71073","MoKα","","0.1297","0.0642","","","0.1241","0.1387","","","","","","1.036","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152090","6.3355","0.0006","7.439","0.0008","26.291","0.002","90","","90","","90","","1239.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-[(R)-1-hydroxy-3-phenylpropyl]piperidine","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","1","","Gálvez, José A; Díaz de Villegas, María D; Badorrey, Ramón; López-Ram-de-Víu, Pilar","Switch in regioselectivity of epoxide ring-opening by changing the organometallic reagent.","Organic & biomolecular chemistry","2011","9","23","8155","8162","10.1039/c1ob06216f","","","0.71073","MoKα","","0.0944","0.052","","","0.0762","0.0836","","","","","","0.894","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152091","9.8157","0.0004","15.5367","0.0005","14.1068","0.0007","90","","98.289","0.004","90","","2128.86","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N O4 Si -","- C19 H27 N O4 Si -","- C76 H108 N4 O16 Si4 -","4","1","","More, Vijaykumar; Di Mola, Antonia; Croce, Gianluca; Tedesco, Consiglia; Petronzi, Carmen; Peduto, Antonella; De Caprariis, Paolo; Filosa, Rosanna; Massa, Antonio","Multi-component, regio-selective aldol addition of β-ketoesters to aldehydes: scope and applications.","Organic & biomolecular chemistry","2011","9","24","8483","8488","10.1039/c1ob06229h","","","0.71073","MoKα","","0.1271","0.0647","","","0.1751","0.2241","","","","","","0.978","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152092","6.155","0.005","9.28","0.005","14.021","0.005","80.62","0.005","86.561","0.005","70.941","0.005","746.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C7.5 H8.5 O2 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","More, Vijaykumar; Di Mola, Antonia; Croce, Gianluca; Tedesco, Consiglia; Petronzi, Carmen; Peduto, Antonella; De Caprariis, Paolo; Filosa, Rosanna; Massa, Antonio","Multi-component, regio-selective aldol addition of β-ketoesters to aldehydes: scope and applications.","Organic & biomolecular chemistry","2011","9","24","8483","8488","10.1039/c1ob06229h","","","0.71073","MoKα","","0.3505","0.1109","","","0.1906","0.3031","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152093","9.1149","0.0011","6.9784","0.0008","14.9231","0.0015","90","","98.171","0.007","90","","939.58","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rac-7-hydroxy-2-oxaspiro(5.5)undec-8-en-1-one","rac-7-hydroxy-2-oxaspiro[5.5]undec-8-en-1-one","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Duroure, Leslie; Jousseaume, Thierry; Aráoz, Rómulo; Barré, Elvina; Retailleau, Pascal; Chabaud, Laurent; Molgó, Jordi; Guillou, Catherine","6,6-Spiroimine analogs of (-)-gymnodimine A: synthesis and biological evaluation on nicotinic acetylcholine receptors.","Organic & biomolecular chemistry","2011","9","23","8112","8118","10.1039/c1ob06257c","","","1.54187","CuKα","","0.0682","0.0524","","","0.1617","0.1804","","","","","","1.091","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152094","5.919","0.003","14.531","0.005","25.735","0.011","90","","90","","90","","2213.4","1.7","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O6 S2 -","- C24 H22 O6 S2 -","- C96 H88 O24 S8 -","4","1","","Companyó, Xavier; Valero, Guillem; Ceban, Victor; Calvet, Teresa; Font-Bardía, Mercé; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic asymmetric allylic alkylation. Bis(phenylsulfonyl)methane addition to MBH carbonates.","Organic & biomolecular chemistry","2011","9","23","7986","7989","10.1039/c1ob06308a","","","0.71073","MoKα","","0.0965","0.0779","","","0.1815","0.2035","","","","","","1.098","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152095","7.1296","0.0002","9.0495","0.0004","27.5442","0.001","90","","90","","90","","1777.13","0.11","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O9 -","- C16 H20 O9 -","- C64 H80 O36 -","4","1","","Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.","Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.","Organic & biomolecular chemistry","2011","9","24","8465","8474","10.1039/c1ob06317k","","","1.5418","CuKα","","0.0365","0.036","","","0.0956","0.0961","","","","","","1.058","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152096","18.1428","0.0008","8.3337","0.0005","11.7816","0.0009","90","","94.391","0.006","90","","1776.11","0.19","130","","130","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H20 O9 -","- C16 H20 O9 -","- C64 H80 O36 -","4","1","","Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.","Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.","Organic & biomolecular chemistry","2011","9","24","8465","8474","10.1039/c1ob06317k","","","0.7107","MoKα","","0.0438","0.0374","","","0.0861","0.0906","","","","","","1.071","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152097","10.2837","0.0002","16.8731","0.0003","12.5611","0.0002","90","","109.192","0.001","90","","2058.44","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 N6 O6 -","- C44 H52 N6 O6 -","- C88 H104 N12 O12 -","2","1","","Oh, Joong-Suk; Kim, Kyung Il; Song, Choong Eui","Enantioselective synthesis of α-deuterium labelled chiral α-amino acids via dynamic kinetic resolution of racemic azlactones.","Organic & biomolecular chemistry","2011","9","23","7983","7985","10.1039/c1ob06319g","","","0.71073","MoKα","","0.0721","0.0432","","","0.0963","0.106","","","","","","0.935","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152098","9.3525","0.0004","10.0265","0.0005","10.842","0.0005","113.426","0.002","96.914","0.002","97.59","0.002","907.85","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","pyrazolobenzoxazine","","","- C20 H17 N3 O5 -","- C20 H17 N3 O5 -","- C40 H34 N6 O10 -","2","1","","Brahma, Kaushik; Sasmal, Anup Kumar; Chowdhury, Chinmay","An efficient strategy for the general synthesis of 3-aryl substituted pyrazolo[5,1-c][1,4]benzoxazines and pyrazolo[1,5-a][1,4]benzodiazepin-6(4H)-ones.","Organic & biomolecular chemistry","2011","9","24","8422","8429","10.1039/c1ob06353g","","","0.71073","MoKα","","0.054","0.0477","","","0.1255","0.1369","","","","","","0.674","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152099","5.4376","0.0007","9.7637","0.0012","22.815","0.003","90","","90","","90","","1211.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 I O -","- C13 H13 I O -","- C52 H52 I4 O4 -","4","1","","Duce, Sara; Jorge, María; Alonso, Inés; Ruano, José Luis García; Cid, M Belén","An organocatalytic approach to enantiomerically enriched α-arylcyclohexenones and cyclohexanones.","Organic & biomolecular chemistry","2011","9","24","8253","8260","10.1039/c1ob06356a","","","0.71073","MoKα","","0.0393","0.0291","","","0.0586","0.064","","","","","","1.089","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152100","11.207","0.002","12.542","0.003","15.394","0.003","70.9","0.03","85.07","0.03","89.15","0.03","2036.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N4 O2 S4 -","- C38 H54 N4 O2 S4 -","- C76 H108 N8 O4 S8 -","2","1","","Chen, Cheng; Dong, Haijun; Chen, Yaqing; Guo, Liangqia; Wang, Zhenyu; Sun, Jian-Jun; Fu, Nanyan","Dual-mode unsymmetrical squaraine-based sensor for selective detection of Hg(2+) in aqueous media.","Organic & biomolecular chemistry","2011","9","23","8195","8201","10.1039/c1ob06519j","","","0.71073","MoKα","","0.186","0.1262","","","0.2922","0.3362","","","","","","1.158","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7153081","14.5489","0.0017","31.423","0.009","11.609","0.0013","90","","118.413","0.008","90","","4668","1.6","298.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 O8 -","- C54 H56 O8 -","- C216 H224 O32 -","4","0.5","","Ito, Yosuke; Tomiyasu, Yuichi; Kawanabe, Takahiro; Uemura, Keisuke; Ushimizu, Yuu; Nishino, Hiroshi","One-pot synthesis of cyclophane-type macrocycles using manganese(III)-mediated oxidative radical cyclization.","Organic & biomolecular chemistry","2011","9","5","1491","1507","10.1039/c0ob00683a","","","0.71069","MoKα","","","0.0878","","","","0.1042","","","","","","4.749","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153082","8.046","0.001","14.28","0.002","22.646","0.003","90","","90","","90","","2602","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","1","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.0854","0.0418","","","0.0939","0.1034","","","","","","0.807","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153083","10.276","0.002","5.799","0.003","20.259","0.005","90","","103.07","0.02","90","","1176","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.1226","0.0734","","0.1465","0.117","","","","1.253","1.213","1.213","","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153084","11.351","0.002","9.7612","0.001","19.942","0.003","90","","91.07","0.02","90","","2209.2","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","2","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.0936","0.0494","","0.141","0.1","","","","1.006","1.059","1.059","","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153803","5.2851","0.0001","15.1376","0.0004","8.295","0.0002","90","","94.61","0.001","90","","661.48","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Clark, J. Stephen; Labre, Flavien; Thomas, Lynne H.","Concise synthesis of the C-1-C-12 fragment of amphidinolides T1-T5.","Organic & biomolecular chemistry","2011","9","13","4823","4830","10.1039/c1ob05130j","","","0.71073","MoKα","","0.0577","0.0392","","","","0.0866","","","","","","0.939","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7205047","8.2152","0.0004","8.9387","0.0004","12.3961","0.0005","109.846","0.001","92.651","0.001","106.725","0.001","809.46","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Co3 N12 O17 -","- C20 H24 Co3 N12 O17 -","- C20 H24 Co3 N12 O17 -","1","0.5","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.031","0.028","","","0.0725","0.0743","","","","","","1.023","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205048","7.8365","0.001","8.2326","0.0011","10.7944","0.0015","111.154","0.002","95.728","0.002","94.674","0.002","641.03","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu N6 O6 -","- C10 H7 Cu N6 O6 -","- C20 H14 Cu2 N12 O12 -","2","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.039","0.0305","","","0.0722","0.0774","","","","","","1.036","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205049","5.8768","0.0005","13.1226","0.0012","11.5664","0.0011","90","","94.788","0.001","90","","888.88","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cd N6 O3 -","- C6 H5 Cd N6 O3 -","- C24 H20 Cd4 N24 O12 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0164","0.0157","","","0.0396","0.04","","","","","","1.063","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205050","16.1407","0.0006","6.9435","0.0002","30.3299","0.0011","90","","90","","90","","3399.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Cl2 Hg2 N12 -","- C10 H6 Cl2 Hg2 N12 -","- C80 H48 Cl16 Hg16 N96 -","8","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0373","0.0336","","","0.0859","0.0881","","","","","","1.05","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205051","7.3629","0.0003","13.9028","0.0006","11.8372","0.0004","90","","123.425","0.002","90","","1011.31","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Cd Cl N6 O2 -","- C5 H7 Cd Cl N6 O2 -","- C20 H28 Cd4 Cl4 N24 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0361","0.0355","","","0.0775","0.0778","","","","","","1.076","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205052","5.594","0.0009","12.643","0.002","11.2431","0.0016","90","","106.662","0.007","90","","761.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Hg0.5 N6 O -","- C5 H5 Hg0.5 N6 O -","- C20 H20 Hg2 N24 O4 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0389","0.0326","","","0.087","0.0931","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205053","7.4195","0.0011","13.9422","0.0019","9.9089","0.0014","90","","95.093","0.002","90","","1021","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Br Cd N6 O2 -","- C5 H7 Br Cd N6 O2 -","- C20 H28 Br4 Cd4 N24 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.043","0.0411","","","0.1052","0.1063","","","","","","1.055","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205054","7.276","0.002","10.159","0.003","16.055","0.005","90","","112.545","0.011","90","","1096","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cd I N6 O -","- C5 H5 Cd I N6 O -","- C20 H20 Cd4 I4 N24 O4 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0221","0.0202","","","0.0525","0.0533","","","","","","1.053","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205055","7.2819","0.0006","17.4904","0.0016","14.8161","0.001","90","","115.224","0.003","90","","1707.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Hg1.5 N15 O2 -","- C10 H10 Hg1.5 N15 O2 -","- C40 H40 Hg6 N60 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0327","0.0282","","","0.071","0.0734","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205056","9.6892","0.0016","9.8474","0.0016","13.533","0.002","99.395","0.002","109.368","0.002","101.945","0.002","1153.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cu Mo4 N6 O15 -","- C12 H14 Cu Mo4 N6 O15 -","- C24 H28 Cu2 Mo8 N12 O30 -","2","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0387","0.035","","","0.0996","0.104","","","","","","1.061","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205057","10.626","0.0007","15.8212","0.001","12.8521","0.0008","90","","100.703","0.001","90","","2123.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Mo8 N12 O26 -","- C24 H24 Mo8 N12 O26 -","- C48 H48 Mo16 N24 O52 -","2","0.5","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.027","0.024","","","0.0592","0.0608","","","","","","1.079","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205058","7.663","0.0004","29.474","0.0017","9.7421","0.0006","90","","101.823","0.001","90","","2153.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu Mo4 N6 O14 -","- C12 H12 Cu Mo4 N6 O14 -","- C48 H48 Cu4 Mo16 N24 O56 -","4","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0231","0.021","","","0.0482","0.049","","","","","","1.099","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205059","10.9052","0.0006","17.603","0.001","7.8921","0.0004","90","","92.64","0.002","90","","1513.39","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu Mo N6 O5 -","- C12 H12 Cu Mo N6 O5 -","- C48 H48 Cu4 Mo4 N24 O20 -","4","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0713","0.0448","","","0.0912","0.1045","","","","","","1.054","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205060","9.5193","0.0008","10.9534","0.0009","11.4935","0.0009","91.786","0.001","113.8","0.001","105.469","0.001","1043.61","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Co Mo6 N12 O23 -","- C24 H28 Co Mo6 N12 O23 -","- C24 H28 Co Mo6 N12 O23 -","1","0.5","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0277","0.0264","","","0.0702","0.071","","","","","","1.103","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205061","14.7948","0.0005","43.785","0.002","18.951","0.001","90","","100.165","0.004","90","","12083.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C254 H286 N4 O64 P8 S8 -","- C254 H286 N4 O64 P8 S8 -","- C508 H572 N8 O128 P16 S16 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Byrne, Lindsay T.; Raston, Colin L.","Supramolecular architecture containing end-capping bis-imidazolium cations","CrystEngComm","2011","13","3","787","","10.1039/c002787a","","","1.54178","CuKα","","0.1884","0.1152","","","0.2746","0.3115","","","","","","1.012","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205062","14.1154","0.0002","14.1154","","47.0311","0.0004","90","","90","","90","","9370.69","0.15","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C78 H108 Gd2 N4 O50 S8 -","- C78 H108 Gd2 N4 O50 S8 -","- C312 H432 Gd8 N16 O200 S32 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Byrne, Lindsay T.; Raston, Colin L.","Supramolecular architecture containing end-capping bis-imidazolium cations","CrystEngComm","2011","13","3","787","","10.1039/c002787a","","","1.54178","CuKα","","0.071","0.0701","","","0.1831","0.1841","","","","","","1.004","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205063","12.6886","0.0003","14.0567","0.0004","14.1856","0.0006","96.182","0.001","110.043","0.001","116.463","0.002","2023.28","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt","","- C49 H54 N2 O6 -","- C49 H54 N2 O6 -","- C98 H108 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1494","0.0685","","","0.1529","0.182","","","","","","1.037","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7205064","11.61","0.002","11.669","0.002","18.732","0.004","78.05","0.03","82.69","0.03","60.57","0.03","2161.4","1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di- ethylenediamine salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di-ethylenediamine salt","","- C50 H60 N4 O6 -","- C50 H60 N4 O6 -","- C100 H120 N8 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.098","0.0881","","","0.1657","0.1704","","","","","","1.252","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205065","12.7812","0.0005","14.0559","0.0005","14.2325","0.0005","64.129","0.002","69.975","0.002","64.398","0.002","2037.1","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) butylenediamine hemi-salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) butylenediamine hemi-salt","","- C50 H56 N2 O6 -","- C50 H56 N2 O6 -","- C100 H112 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1132","0.0579","","","0.1182","0.142","","","","","","1.016","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205066","12.6048","0.0007","13.1155","0.0008","15.0029","0.0007","82.348","0.003","75.666","0.003","63.13","0.003","2142.9","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) propylenediamine inclusion complex","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) propylenediamine inclusion complex","","- C50 H60 N4 O6 -","- C50 H60 N4 O6 -","- C100 H120 N8 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1266","0.0846","","","0.1399","0.1581","","","","","","1.113","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7205067","12.6805","0.0002","13.8085","0.0003","14.8731","0.0003","113.964","0.001","93.672","0.001","108.788","0.001","2195.08","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) propylenediamine inclusion complex","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) propylenediamine inclusion complex","","- C48 H51 Cl3 N2 O6 -","- C48 H51 Cl3 N2 O6 -","- C96 H102 Cl6 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.135","0.0555","","","0.1105","0.134","","","","","","1.017","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7205068","12.8654","0.0002","14.0595","0.0002","14.5748","0.0003","114.863","0.001","91.742","0.001","109.327","0.001","2212.46","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) butylenediamine hemi-salt","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) butylenediamine hemi-salt","","- C49 H53 Cl3 N2 O6 -","- C49 H53 Cl3 N2 O6 -","- C98 H106 Cl6 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.2151","0.0772","","","0.164","0.2137","","","","","","1.023","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205069","18.984","0.003","7.3315","0.0011","16.506","0.003","90","","119.337","0.002","90","","2002.7","0.6","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H42 Cd3 O26 -","- C30 H42 Cd3 O26 -","- C60 H84 Cd6 O52 -","2","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0575","0.0467","","","0.081","0.0823","","","","","","1.021","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205070","11.845","0.002","14.043","0.003","17.092","0.003","90","","108.75","0.003","90","","2692.2","0.9","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C45 H44 Cd2 N6 O20 -","- C45 H44 Cd2 N6 O20 -","- C90 H88 Cd4 N12 O40 -","2","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0675","0.0547","","","0.1447","0.1501","","","","","","1.071","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205071","6.94","0.003","9.896","0.004","13.149","0.005","94.652","0.007","99.553","0.007","96.088","0.008","881","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N O7 -","- C20 H14 Mn N O7 -","- C40 H28 Mn2 N2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0997","0.0616","","","0.0882","0.0949","","","","","","1","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205072","6.93","0.002","9.658","0.003","13.022","0.004","93.719","0.006","99.179","0.006","94.856","0.007","854.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Co N O7 -","- C20 H14 Co N O7 -","- C40 H28 Co2 N2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0978","0.064","","","0.156","0.1655","","","","","","1.022","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205073","10.2868","0.0001","10.7031","0.0002","21.5105","0.0003","80.713","0.001","84.376","0.001","84.733","0.001","2319.06","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 Cu2 Mo5 N16 O26 P2 -","- C24 H29 Cu2 Mo5 N16 O26 P2 -","- C48 H58 Cu4 Mo10 N32 O52 P4 -","2","1","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0386","0.0298","","","0.0691","0.0737","","","","","","1.051","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205074","11.9385","0.0004","12.8328","0.0004","19.2691","0.0006","78.616","0.001","77.813","0.001","71.08","","2703.01","0.15","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H92 Cu5 Mo10 N32 O70 P4 -","- C48 H92 Cu5 Mo10 N32 O70 P4 -","- C48 H92 Cu5 Mo10 N32 O70 P4 -","1","0.5","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0381","0.0314","","","0.0785","0.0828","","","","","","1.013","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205075","11.8981","0.0005","18.8195","0.0007","12.6","0.0005","90","","105.865","0.001","90","","2713.88","0.19","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C72 H70 Cu6 Mo10 N36 O50 P4 -","2","1","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0597","0.0451","","","0.0764","0.0851","","","","","","1.001","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205076","20.7624","0.0007","11.4376","0.0004","16.7341","0.0006","90","","102.662","0.001","90","","3877.2","0.2","273","2","273","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu2 Mg Mo5 N8 O29 P2 -","- C12 H18 Cu2 Mg Mo5 N8 O29 P2 -","- C48 H72 Cu8 Mg4 Mo20 N32 O116 P8 -","4","0.5","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0669","0.0433","","","0.1089","0.1191","","","","","","1.063","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205077","13.853","0.003","13.391","0.003","18.438","0.007","90","","119.54","0.02","90","","2975.7","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 Co3 F2 N6 O26 -","- C64 H62 Co3 F2 N6 O26 -","- C128 H124 Co6 F4 N12 O52 -","2","0.5","","Wang, Shuang; Qin, Jie; Wang, Xin-Long; Qin, Chao; Li, Ting-Ting; Su, Zhong-Min","Two unusual self-threading frameworks self-assembled from mixed ligands and cobalt/zinc ions","CrystEngComm","2011","13","1","325","","10.1039/c004065g","","","0.71073","MoKα","","0.0365","0.0305","","","0.0773","0.0799","","","","","","1.008","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205078","13.859","0.003","13.313","0.003","18.894","0.007","90","","119.31","0.02","90","","3039.8","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 F2 N6 O26 Zn3 -","- C64 H62 F2 N6 O26 Zn3 -","- C128 H124 F4 N12 O52 Zn6 -","2","0.5","","Wang, Shuang; Qin, Jie; Wang, Xin-Long; Qin, Chao; Li, Ting-Ting; Su, Zhong-Min","Two unusual self-threading frameworks self-assembled from mixed ligands and cobalt/zinc ions","CrystEngComm","2011","13","1","325","","10.1039/c004065g","","","0.71073","MoKα","","0.0928","0.0736","","","0.1943","0.2126","","","","","","1.015","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205079","12.606","0.003","13.815","0.003","14.013","0.003","78.919","0.002","86.321","0.002","87.03","0.002","2388","0.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C73.33 H74.07 Cl12 Mn4 N14 Nb6 O13.7 -","- C71.34 H62.68 Cl12 Mn4 N14 Nb6 O10 -","- C71.34 H62.68 Cl12 Mn4 N14 Nb6 O10 -","1","0.5","","Zhang, Jian-Jun; Day, Cynthia S.; Lachgar, Abdessadek","Self-assembly and solvent-mediated structural transformation of one-dimensional cluster-based coordination polymer","CrystEngComm","2011","13","1","133","","10.1039/c004119j","","","0.71073","MoKα","","0.0715","0.047","","","0.1038","0.1119","","","","","","0.972","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205080","7.714","0.0015","9.76","0.002","15.675","0.003","90.12","0.02","96.87","0.03","107.23","0.03","1118.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","18,18'-(E)-ethene-1,2-diylbis-2,3,5,6,8,9,11,12,14,15- decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine bis(ethanedithioamide) clathrate","18,18'-(E)-ethene-1,2-diylbis-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecine bis(ethanedithioamide) clathrate","","- C38 H56 N4 O12 S4 -","- C38 H54.336 N4 O12 S4 -","- C38 H54.336 N4 O12 S4 -","1","0.5","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.2223","0.0523","","","0.0788","0.1002","","","","","","0.772","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205081","16.674","0.003","8.545","0.002","19.279","0.004","90","","90","","90","","2746.9","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,5,6,8,9,11,12-octahydro-thieno(3,4-b)-1,4,7,10,13- pentaoxacyclopentadecyne","2,3,5,6,8,9,11,12-octahydro-thieno[3,4-b]- 1,4,7,10,13-pentaoxacyclopentadecyne","","- C12 H18 O5 S -","- C12 H18 O5 S -","- C96 H144 O40 S8 -","8","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1118","0.0511","","","0.1407","0.158","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205082","7.219","0.001","10.992","0.002","13.356","0.003","89.43","0.02","78.84","0.02","80.8","0.02","1026.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b)(1,4,7,10,13) pentaoxacyclopentadecine 3-nitro-1H-1,2,4-triazole clathrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13] pentaoxacyclopentadecine 3-nitro-1H-1,2,4-triazole clathrate","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C40 H48 N8 O14 -","2","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1119","0.0478","","","0.1088","0.1294","","","","","","0.93","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205083","9.945","0.002","15.102","0.003","12.647","0.002","90","","91.68","0.02","90","","1898.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,3,5,6,8,9,11,12-octahydro-thieno(3,4-b)-1,4,7,10,13- pentaoxacyclopentadecyne ethanebis(thioamide)","2,3,5,6,8,9,11,12-octahydro-thieno[3,4-b]- 1,4,7,10,13-pentaoxacyclopentadecyne ethanebis(thioamide)","","- C14 H22 N2 O5 S3 -","- C14 H20.984 N2 O5 S3 -","- C56 H83.936 N8 O20 S12 -","4","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.0724","0.0364","","","0.0829","0.0902","","","","","","0.98","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205084","7.965","0.002","10.521","0.002","13.08","0.003","90","","93.68","0.02","90","","1093.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b)(1,4,7,10,13) pentaoxacyclopentadecine ethanebis(thioamide) clathrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13] pentaoxacyclopentadecine ethanebis(thioamide) clathrate","","- C20 H26 N2 O5 S2 -","- C20 H26 N2 O5 S2 -","- C40 H52 N4 O10 S4 -","2","0.5","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.0707","0.0423","","","0.1143","0.1213","","","","","","1.005","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205085","10.536","0.002","15.585","0.004","13.639","0.003","90","","91.17","0.02","90","","2239.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b) (1,4,7,10,13)pentaoxacyclopentadecine 1,2,5-oxadiazole-3,4-diamine monohydrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b] [1,4,7,10,13]pentaoxacyclopentadecine 1,2,5-oxadiazole-3,4-diamine monohydrate","","- C20 H28 N4 O7 -","- C20 H28 N4 O7 -","- C80 H112 N16 O28 -","4","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1325","0.0365","","","0.0616","0.076","","","","","","0.846","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205086","10.5283","0.0008","13.4817","0.0012","20.5006","0.0018","90","","102.016","0.004","90","","2846.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 O19.5 Pr2 -","- C18 H6 N6 O19.5 Pr2 -","- C72 H24 N24 O78 Pr8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0316","0.0238","","","0.068","0.0801","","","","","","1.025","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205087","10.4836","0.0005","13.4043","0.0008","20.4238","0.0013","90","","102.163","0.003","90","","2805.6","0.3","296","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 Nd2 O19.5 -","- C18 H6 N6 Nd2 O19.5 -","- C72 H24 N24 Nd8 O78 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0493","0.0318","","","0.0802","0.0965","","","","","","1.084","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205088","10.4555","0.0019","13.333","0.003","20.372","0.003","90","","102.245","0.01","90","","2775.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 O19.5 Sm2 -","- C18 H6 N6 O19.5 Sm2 -","- C72 H24 N24 O78 Sm8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0637","0.0322","","","0.0778","0.1025","","","","","","1.067","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205089","10.4063","0.001","13.1997","0.0013","20.244","0.002","90","","102.695","0.005","90","","2712.7","0.5","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Eu2 N6 O19 -","- C18 H6 Eu2 N6 O19 -","- C72 H24 Eu8 N24 O76 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0295","0.0224","","","0.0546","0.0582","","","","","","0.977","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205090","11.8519","0.0002","19.6425","0.0003","14.9977","0.0003","90","","102.508","0.001","90","","3408.61","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Gd2 N6 O21 -","- C18 H6 Gd2 N6 O21 -","- C72 H24 Gd8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.052","0.0355","","","0.1147","0.1362","","","","","","1.024","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205091","11.8076","0.0006","19.602","0.001","14.9743","0.0007","90","","102.75","0.002","90","","3380.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N6 O21 Tb2 -","- C18 H6 N6 O21 Tb2 -","- C72 H24 N24 O84 Tb8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0486","0.0353","","","0.1156","0.1359","","","","","","1.085","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205092","11.8365","0.0003","19.5914","0.0005","15.0554","0.0004","90","","102.632","0.001","90","","3406.74","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Dy2 N6 O21 -","- C18 H6 Dy2 N6 O21 -","- C72 H24 Dy8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0564","0.0352","","","0.1176","0.1377","","","","","","1.019","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205093","11.8162","0.0008","19.4943","0.0013","15.0763","0.001","90","","102.854","0.003","90","","3385.8","0.4","296","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Er2 N6 O21 -","- C18 H6 Er2 N6 O21 -","- C72 H24 Er8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0656","0.0433","","","0.1301","0.1451","","","","","","1.041","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205094","11.798","0.0007","19.4168","0.0012","14.8932","0.001","90","","103.041","0.003","90","","3323.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Lu2 N6 O21 -","- C18 H6 Lu2 N6 O21 -","- C72 H24 Lu8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0428","0.0336","","","0.1041","0.1229","","","","","","1.157","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205095","11.205","0.0004","19.53","0.0007","11.455","0.0004","90","","104.218","0.0007","90","","2429.95","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N3 O9 Zn2 -","- C23 H16 N3 O9 Zn2 -","- C92 H64 N12 O36 Zn8 -","4","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0461","0.0353","","","0.0774","0.0824","","","","","","1.052","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205096","12.3267","0.0005","15.0656","0.0006","14.5968","0.0006","90","","108.631","0.001","90","","2568.7","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O12 Zn2 -","- C22 H14 N3 O12 Zn2 -","- C88 H56 N12 O48 Zn8 -","4","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71073","MoKα","","0.0559","0.0405","","","0.1121","0.1204","","","","","","1.053","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205097","14.839","0.0006","15.717","0.0006","22.081","0.0009","90","","90","","90","","5149.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H22 N3 O14 Zn2 -","- C22 H15 N3 O14 Zn2 -","- C176 H120 N24 O112 Zn16 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0673","0.0354","","","0.0879","0.1037","","","","","","1.009","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205098","16.379","0.0005","16.361","0.0005","28.999","0.0009","90","","90","","90","","7771.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H43.5 N O13.25 Zn3 -","- C34 H43.5 N O13.25 Zn3 -","- C272 H348 N8 O106 Zn24 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0713","0.0329","","","0.0705","0.0748","","","","","","0.893","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205099","19.5062","0.0004","12.373","0.0006","15.0076","0.0005","90","","113.717","0.001","90","","3316.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N3 O7 Zn2 -","- C16 H9 N3 O7 Zn2 -","- C128 H72 N24 O56 Zn16 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71073","MoKα","","0.03","0.0254","","","0.0617","0.0625","","","","","","1","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205100","7.5291","0.0006","9.0289","0.0007","11.2318","0.0009","106.417","0.001","104.611","0.001","100.197","0.001","682.88","0.09","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H14 F N2 O3 -","- C14 H14 F N2 O3 -","- C28 H28 F2 N4 O6 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","x-ray","0.71073","MoKα","","0.0645","0.0537","","","0.1313","0.1389","","","","","","1.062","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205101","15.829","0.004","7.2551","0.0012","24.285","0.004","90","","106.972","0.005","90","","2667.4","0.9","120","2","120","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F N2 O3 -","- C14 H15 F N2 O3 -","- C112 H120 F8 N16 O24 -","8","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0693","0.0571","","","0.1378","0.1427","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205102","12.0087","0.0007","7.3445","0.0004","29.8816","0.0015","90","","92.941","0.004","90","","2632","0.2","120","2","120","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 F2 N4 O6 -","- C28 H30 F2 N4 O6 -","- C112 H120 F8 N16 O24 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1989","0.0568","","","0.0958","0.1186","","","","","","0.809","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205103","12.7632","0.0003","7.329","0.0002","29.7055","0.001","90","","93.705","0.002","90","","2772.89","0.14","120","2","120","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O3 -","- C14 H15 Cl N2 O3 -","- C112 H120 Cl8 N16 O24 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0489","0.0403","","","0.1002","0.1032","","","","","","1.037","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205104","7.5081","0.0006","8.6307","0.0008","12.7259","0.0011","105.102","0.008","104.686","0.007","100.544","0.007","742.26","0.12","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H15 Br N2 O3 -","- C14 H15 Br N2 O3 -","- C28 H30 Br2 N4 O6 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1296","0.0615","","","0.1467","0.164","","","","","","0.872","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205105","12.7835","0.0006","7.3412","0.0003","29.5499","0.0014","90","","93.462","0.004","90","","2768.1","0.2","120","2","120","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1117","0.058","","","0.1323","0.1452","","","","","","0.951","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205106","15.7414","0.001","7.31","0.0004","26.3147","0.0014","90","","103.377","0.006","90","","2945.9","0.3","120","2","120","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0939","0.0504","","","0.1186","0.1277","","","","","","0.931","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205107","12.245","0.0004","7.4478","0.0002","16.1914","0.0005","90","","106.676","0.003","90","","1414.53","0.08","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.077","0.0452","","","0.1069","0.1133","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205108","12.2806","0.001","7.4567","0.0006","17.2659","0.0014","90","","109.584","0.009","90","","1489.6","0.2","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0838","0.0525","","","0.1437","0.1563","","","","","","1.077","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205109","16.516","0.0013","17.6806","0.0013","17.3266","0.0014","90","","153.568","0.001","90","","2252.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cd N2 O6 -","- C22 H24 Cd N2 O6 -","- C88 H96 Cd4 N8 O24 -","4","1","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0705","0.0396","","","0.0818","0.0941","","","","","","1.016","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205110","11.578","0.004","11.488","0.004","9.342","0.003","90","","113.459","0.006","90","","1139.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H28 Co N2 O8 -","- C22 H28 Co N2 O8 -","- C44 H56 Co2 N4 O16 -","2","0.25","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0374","0.0322","","","0.0748","0.0779","","","","","","1.054","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205111","14.1443","0.001","10.5695","0.0007","13.5488","0.0009","90","","109.791","0.001","90","","1905.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 Ni O4 -","- C22 H20 N2 Ni O4 -","- C88 H80 N8 Ni4 O16 -","4","0.5","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0356","0.0305","","","0.0798","0.083","","","","","","1.061","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205112","14.2254","0.0008","10.6516","0.0006","13.6134","0.0008","90","","110.37","0.001","90","","1933.75","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu N2 O4 -","- C22 H20 Cu N2 O4 -","- C88 H80 Cu4 N8 O16 -","4","0.5","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0314","0.0282","","","0.0811","0.0834","","","","","","1.066","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205113","15.4168","0.0007","15.4168","0.0007","27.623","0.002","90","","90","","90","","6565.4","0.6","173","2","173","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C42 H24 Co2 N2 O10 -","- C42 H24 Co2 N2 O10 -","- C168 H96 Co8 N8 O40 -","4","0.125","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0866","0.0686","","","0.2135","0.227","","","","","","1.03","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205114","15.745","0.003","9.1922","0.0018","9.4397","0.0019","90","","90","","90","","1366.2","0.5","113","2","113","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co O8 -","- C16 H8 Co O8 -","- C64 H32 Co4 O32 -","4","0.5","","Su, Yan-Hua; Luo, Feng; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min","Rod-packing motif: a new metal‒organic polymer showing unusual rod-packing architecture","CrystEngComm","2011","13","1","44","","10.1039/c0ce00066c","","","0.71073","MoKα","","0.0565","0.0502","","","0.1226","0.1276","","","","","","1.089","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205115","11.5613","0.0017","27.189","0.004","13.556","0.002","90","","102.803","0.002","90","","4155.3","1.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C144 H216 N24 O36 S12 -","12","3","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.0871","0.0652","","","0.1505","0.1631","","","","","","0.963","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205116","11.787","0.005","9.043","0.004","13.955","0.006","90","","104.644","0.007","90","","1439.1","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.0871","0.0714","","","0.1679","0.1783","","","","","","1.099","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205117","15.851","0.006","9.288","0.004","19.691","0.008","90","","90","","90","","2899","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","1","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.1165","0.0784","","","0.2086","0.2362","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205118","9.577","0.0009","11.5117","0.0011","12.398","0.0019","99.681","0.001","100.128","0.001","114.146","0.001","1183.2","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Ce Cu N2 O11 S2 -","- C22 H16 Ce Cu N2 O11 S2 -","- C44 H32 Ce2 Cu2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0267","0.0237","","","0.0532","0.0551","","","","","","1.027","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205119","9.4926","0.0014","11.3728","0.0017","12.345","0.003","99.253","0.002","100.231","0.002","114.064","0.001","1156.5","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Dy N2 O11 S2 -","- C22 H16 Cu Dy N2 O11 S2 -","- C44 H32 Cu2 Dy2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0209","0.0196","","","0.0476","0.0482","","","","","","1.073","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205120","9.5144","0.0006","11.4162","0.0007","12.369","0.0012","99.415","0.001","100.2","0.001","114.01","0.001","1165.63","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Eu N2 O11 S2 -","- C22 H16 Cu Eu N2 O11 S2 -","- C44 H32 Cu2 Eu2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0563","0.0577","","","","","","1.039","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205121","9.4878","0.001","11.3999","0.0012","12.373","0.002","99.388","0.001","100.155","0.001","113.963","0.001","1162","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Gd N2 O11 S2 -","- C22 H16 Cu Gd N2 O11 S2 -","- C44 H32 Cu2 Gd2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.024","0.0215","","","0.0481","0.0492","","","","","","1.029","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205122","9.5121","0.0005","11.4333","0.0006","12.3811","0.001","99.46","0.001","100.168","0.001","114.012","0.001","1168.14","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu N2 O11 S2 Sm -","- C22 H16 Cu N2 O11 S2 Sm -","- C44 H32 Cu2 N4 O22 S4 Sm2 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0266","0.024","","","0.0536","0.0552","","","","","","1.047","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205123","9.4951","0.0006","11.3913","0.0007","12.3599","0.0013","99.294","0.001","100.211","0.001","113.999","0.001","1160.67","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu N2 O11 S2 Tb -","- C22 H16 Cu N2 O11 S2 Tb -","- C44 H32 Cu2 N4 O22 S4 Tb2 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0275","0.0256","","","0.0649","0.0659","","","","","","1.057","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205124","9.528","0.002","11.338","0.003","12.282","0.005","99.109","0.003","100.275","0.003","114.053","0.002","1152.1","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Er N2 O11 S2 -","- C22 H16 Cu Er N2 O11 S2 -","- C44 H32 Cu2 Er2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0217","0.0201","","","0.0479","0.0487","","","","","","1.029","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205125","14.8496","0.001","14.8496","0.001","9.3759","0.0014","90","","90","","120","","1790.5","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","1","0.166667","","Wei, Lian-Qiang; Li, Bing-Wen; Hu, Sheng; Zeng, Ming-Hua","Controlled assemblies of hepta- and trideca-CoII clusters by a rational derivation of salicylalde schiff bases: microwave-assisted synthesis, crystal structures, ESI-MS solution analysis and magnetic properties","CrystEngComm","2011","13","2","510","","10.1039/c0ce00085j","","","0.71073","MoKα","","0.0726","0.0473","","","0.1421","0.1834","","","","","","1.006","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205126","12.915","0.003","17.707","0.004","33.205","0.007","97.718","0.004","100.731","0.004","99.178","0.004","7259","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H131 Cl4 Co13 N14 O58.5 -","- C126 H131 Cl4 Co13 N14 O58.5 -","- C252 H262 Cl8 Co26 N28 O117 -","2","1","","Wei, Lian-Qiang; Li, Bing-Wen; Hu, Sheng; Zeng, Ming-Hua","Controlled assemblies of hepta- and trideca-CoII clusters by a rational derivation of salicylalde schiff bases: microwave-assisted synthesis, crystal structures, ESI-MS solution analysis and magnetic properties","CrystEngComm","2011","13","2","510","","10.1039/c0ce00085j","","","0.71073","MoKα","","0.2192","0.0973","","","0.1951","0.2569","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205127","10.265","0.0006","20.1499","0.001","35.2161","0.0019","90","","92.726","0.005","90","","7275.8","0.7","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Fe N O13 S32 -","- C53 H40 Fe N O13 S32 -","- C212 H160 Fe4 N4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0755","0.0411","","","0.0972","0.1068","","","","","","1.012","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205128","10.2615","0.0005","20.1539","0.0008","35.1975","0.0014","90","","92.633","0.004","90","","7271.5","0.5","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Fe N O13 S32 -","- C53 H40 Fe N O13 S32 -","- C212 H160 Fe4 N4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0602","0.0409","","","0.1096","0.1186","","","","","","1.002","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205129","10.2854","0.0004","20.0124","0.001","35.3666","0.0015","90","","93.093","0.004","90","","7269.1","0.6","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cl Fe O13 S32 -","- C52 H40 Cl Fe O13 S32 -","- C208 H160 Cl4 Fe4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0501","0.0378","","","0.091","0.0959","","","","","","1.006","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205130","10.3011","0.0005","20.028","0.001","35.249","0.002","90","","92.567","0.005","90","","7264.9","0.7","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 F Fe O13 S32 -","- C52 H40 F Fe O13 S32 -","- C208 H160 F4 Fe4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0788","0.0438","","","0.1033","0.1116","","","","","","1.017","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205131","10.2794","0.0006","20.019","0.001","35.255","0.002","90","","92.496","0.005","90","","7248","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.4 H40 F0.6 Fe N0.4 O13 S32 -","- C52.4 H40 F0.6 Fe N0.4 O13 S32 -","- C209.6 H160 F2.4 Fe4 N1.6 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0598","0.0431","","","0.1077","0.1139","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205132","10.2877","0.0007","20.1034","0.0015","35.198","0.003","90","","92.821","0.008","90","","7270.7","1","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.86 H39.86 Cl0.28 Fe N0.86 O13 S32 -","- C52.858 H39.8584 Cl0.2792 Fe N0.8604 O13 S32 -","- C211.432 H159.434 Cl1.1168 Fe4 N3.4416 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0704","0.0461","","","0.1214","0.1304","","","","","","1.035","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205133","10.4247","0.0007","19.6843","0.0017","36.096","0.003","90","","90","","90","","7407","1","293","2","293","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C52.88 H39.88 Cl0.24 Fe N0.88 O13 S32 -","- C52.878 H39.8776 Cl0.2448 Fe N0.8776 O13 S32 -","- C211.512 H159.51 Cl0.9792 Fe4 N3.5104 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.1355","0.0522","","","0.1034","0.1156","","","","","","1.009","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205134","10.2763","0.0006","20.067","0.001","35.369","0.002","90","","92.915","0.006","90","","7284.2","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.348 H40 Cl0.652 Fe N0.348 O13 S32 -","- C209.392 H160 Cl2.608 Fe4 N1.392 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.054","0.039","","","0.0954","0.1008","","","","","","1.009","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205135","10.2589","0.0006","20.068","0.001","35.45","0.002","90","","93.174","0.005","90","","7287.1","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.17 H40 Br0.83 Fe N0.17 O13 S32 -","- C52.174 H40 Br0.826 Fe N0.174 O13 S32 -","- C208.696 H160 Br3.304 Fe4 N0.696 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0789","0.051","","","0.1317","0.1415","","","","","","1.017","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205136","15.159","0.003","18.821","0.003","19.798","0.003","90","","92.382","0.003","90","","5643.6","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd3 N6 O16 -","- C66 H42 Cd3 N6 O16 -","- C264 H168 Cd12 N24 O64 -","4","0.5","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.0609","0.0521","","","0.1383","0.1435","","","","","","1.064","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205137","9.526","0.0005","15.031","0.0008","22.02","0.0011","70.544","0.001","78.347","0.001","84.906","0.001","2910.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cd3 N6 O19 -","- C60 H48 Cd3 N6 O19 -","- C120 H96 Cd6 N12 O38 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0547","0.0419","","","0.1143","0.1211","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205138","20.838","0.0015","10.485","0.002","22.58","0.001","90","","102.968","0.001","90","","4807.6","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Cd3 N4 O18 -","- C50 H38 Cd3 N4 O18 -","- C200 H152 Cd12 N16 O72 -","4","0.5","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0264","0.0234","","","0.0619","0.0635","","","","","","1.046","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205139","11.6201","0.0005","11.9085","0.0005","18.7329","0.0008","84.387","0.001","86.887","0.001","66.265","0.001","2361.27","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H30 Cd3 N4 O14 -","- C54 H30 Cd3 N4 O14 -","- C108 H60 Cd6 N8 O28 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.038","0.0305","","","0.0962","0.112","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205140","11.2","0.0009","11.5369","0.0009","18.3362","0.0014","88.221","0.001","81.475","0.001","70.83","0.001","2212.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Cd3 N4 O14 -","- C50 H30 Cd3 N4 O14 -","- C100 H60 Cd6 N8 O28 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.03","0.0246","","","0.0607","0.0629","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205141","14.0039","0.0005","28.8677","0.0011","13.6293","0.0005","90","","118.546","0.001","90","","4840","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H36 Cd3 N4 O17 -","- C54 H36 Cd3 N4 O17 -","- C216 H144 Cd12 N16 O68 -","4","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.0184","0.0172","","","0.0462","0.0555","","","","","","1.15","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205142","13.511","0.003","14.864","0.003","17.527","0.003","66.948","0.002","86.831","0.002","67.297","0.003","2968.8","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H47 Cd3 N6 O19 -","- C66 H47 Cd3 N6 O19 -","- C132 H94 Cd6 N12 O38 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0626","0.0439","","","0.1175","0.1296","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205143","12.475","0.002","19.304","0.003","46.775","0.005","90","","94.83","0.03","90","","11224","3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 O10 -","- C54 H78 O10 -","- C432 H624 O80 -","8","2","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.085","0.085","","0.139","0.139","","","","0.952","0.952","0.952","","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205144","17.706","0.003","12.622","0.002","21.853","0.004","90","","91.43","0.02","90","","4882.3","1.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 Cl3 N O10 -","- C47 H61 Cl3 N O10 -","- C188 H244 Cl12 N4 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.163","0.099","","0.274","0.154","0.154","","","0.96","0.935","0.935","0.935","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205145","16.868","0.003","12.789","0.003","20.295","0.004","90","","102.33","0.02","90","","4277.1","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 O10 -","- C44 H57 O10 -","- C176 H228 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.164","0.078","","0.168","0.103","0.103","","","0.86","0.953","0.953","0.953","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205146","7.4649","0.0016","11.9022","0.0018","14.8739","0.0011","95.276","0.002","91.966","0.002","107.856","0.003","1249.8","0.3","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.045","0.0362","","","0.0725","0.0759","","","","","","1.081","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205147","7.4606","0.0012","11.9298","0.0018","14.8726","0.0009","95.338","0.002","91.95","0.001","107.916","0.001","1251.3","0.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0495","0.0386","","","0.0867","0.0929","","","","","","1.001","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205148","6.0782","0.0012","7.4777","0.0015","14.9506","0.001","87.655","0.01","82.692","0.01","71.802","0.001","640.29","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.044","0.0411","","","0.1009","0.1029","","","","","","1.058","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205149","6.1181","0.0017","7.498","0.001","15.0901","0.0014","87.224","0.002","82.128","0.002","71.99","0.001","652.1","0.2","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0605","0.0452","","","0.0945","0.1013","","","","","","1.035","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205150","7.9639","0.0005","24.3259","0.0016","16.0648","0.001","90","","90.412","0.002","90","","3112.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N4 Ni2 O11 -","- C34 H22 N4 Ni2 O11 -","- C136 H88 N16 Ni8 O44 -","4","1","","Wang, Chih-Chieh; Liu, Fang-Chen; Chiu, Chih-Kai; Song, You; Wang, Shih-Chi; Wang, Yu; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Yang, En-Che","Synthesis, structural characterization and magnetic behavior of a 2D bi-layer MOF, {[Ni2(C5O5)2(bpe)2]·H2O}n (bpe = 1,2-bis(4-pyridyl)ethylene)","CrystEngComm","2011","13","1","118","","10.1039/c0ce00111b","","","0.71073","MoKα","","0.0942","0.0651","","","0.1223","0.1325","","","","","","1.116","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205151","17.725","0.0005","17.725","0.0005","63.211","0.003","90","","90","","120","","17198.7","1.1","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H66 Cu3 N6 O6 P3 S6 -","- C42 H66 Cu3 N6 O6 P3 S6 -","- C504 H792 Cu36 N72 O72 P36 S72 -","12","0.666667","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0653","0.0351","","","0.0808","0.0879","","","","","","0.856","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205152","10.4051","0.0008","12.919","0.0012","16.2445","0.0015","80.986","0.007","76.688","0.007","79.581","0.007","2074.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H46 Cu Fe N2 O2 P3 S2 -","- C42 H46 Cu Fe N2 O2 P3 S2 -","- C84 H92 Cu2 Fe2 N4 O4 P6 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.1292","0.0999","","","0.2523","0.2705","","","","","","1.014","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205153","13.7676","0.0007","13.8533","0.0008","16.8992","0.0008","67.726","0.004","66.131","0.004","63.955","0.004","2567.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0755","0.0581","","","0.1652","0.1776","","","","","","0.828","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205154","26.9217","0.0006","26.9217","0.0006","10.281","0.0002","90","","90","","90","","7451.4","0.3","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C52 H84 Cu4 N12 O8 P4 S8 -","- C52 H84 Cu4 N12 O8 P4 S8 -","- C208 H336 Cu16 N48 O32 P16 S32 -","4","0.25","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0402","0.0293","","","0.0625","0.0661","","","","","","1.089","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205155","10.511","0.0013","16.749","0.002","18.137","0.002","88.538","0.002","77.585","0.002","87.949","0.002","3115.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 O18 S4 -","- C56 H84 O18 S4 -","- C112 H168 O36 S8 -","2","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1092","0.0831","","","0.2157","0.233","","","","","","1.037","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205156","42.4396","0.0007","14.2832","0.0003","21.6031","0.0005","90","","117.638","0.004","90","","11601","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 Cl4 N4 O12 S4 -","- C52 H64 Cl4 N4 O12 S4 -","- C416 H512 Cl32 N32 O96 S32 -","8","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0811","0.0691","","","0.1764","0.1832","","","","","","1.015","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205157","24.564","0.0007","20.052","0.0005","10.7714","0.0003","90","","93.394","0.002","90","","5296.2","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 N4 O12 S4 -","- C50 H60 N4 O12 S4 -","- C200 H240 N16 O48 S16 -","4","0.5","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1201","0.092","","","0.2161","0.2342","","","","","","1.102","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205158","14.9385","0.0005","25.0431","0.0008","15.9995","0.0005","90","","91.281","0.002","90","","5984","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H146 N16 O27 S8 -","- C104 H130 N16 O25 S8 -","- C208 H260 N32 O50 S16 -","2","0.5","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0821","0.06","","","0.1389","0.1494","","","","","","0.981","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205159","20.3779","0.0012","20.3779","0.0012","76.563","0.009","90","","90","","120","","27534","4","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.84 H68.02 Cl1.34 N6 O13.17 S4 -","- C51 H62 N6 O12 S4 -","- C918 H1116 N108 O216 S72 -","18","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1431","0.0638","","","0.145","0.1634","","","","","","0.809","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205160","14.8193","0.001","25.0193","0.0018","16.0602","0.0011","90","","91.255","0.001","90","","5953.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H71 N8 O13.5 S4 -","- C55 H71 N8 O13.5 S4 -","- C220 H284 N32 O54 S16 -","4","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0891","0.0675","","","0.159","0.1722","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205161","9.7099","0.0019","17.216","0.003","19.642","0.004","72.85","0.03","86.38","0.03","88.62","0.03","3131.2","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H71 Cu4 I4 N9 -","- C62 H71 Cu4 I4 N9 -","- C124 H142 Cu8 I8 N18 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0921","0.0689","","","0.1383","0.1524","","","","","","1.077","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205162","14.0172","0.0018","16.221","0.002","18.554","0.002","89.714","0.002","69.778","0.002","72.194","0.002","3745","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H73 Br6 Hg3 N8 O S -","- C62 H73 Br6 Hg3 N8 O S -","- C124 H146 Br12 Hg6 N16 O2 S2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0657","0.0412","","","0.1001","0.1063","","","","","","1.029","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205163","12.2129","0.0008","13.3117","0.0008","16.6923","0.001","71.161","0.001","75.701","0.001","62.988","0.001","2271.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Hg3 I4 N6 -","- C38 H46 Hg3 I4 N6 -","- C76 H92 Hg6 I8 N12 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0481","0.0383","","","0.0978","0.1043","","","","","","1.03","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205164","10.9505","0.0006","14.8255","0.0007","19.4605","0.0009","98.105","0.001","95.922","0.001","107.028","0.001","2955.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 Ag2 N6 -","- C60 H67 Ag4 N12 -","- C120 H134 Ag8 N24 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0823","0.0488","","","0.1413","0.1698","","","","","","1.02","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205165","10.097","0.002","13.533","0.003","15.409","0.003","104.053","0.003","97.686","0.003","94.555","0.004","2010.4","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 Ag2 Br2 N6 O S -","- C40 H42 Ag2 Br2 N6 O S -","- C80 H84 Ag4 Br4 N12 O2 S2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0525","0.0357","","","0.0962","0.1072","","","","","","1.032","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205166","9.3684","0.0014","13.897","0.002","14.595","0.002","103.651","0.002","102.976","0.002","104.986","0.002","1699.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Ag F6 N4 O0.5 P -","- C30 H34 Ag F6 N4 O0.5 P -","- C60 H68 Ag2 F12 N8 O P2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0543","0.0473","","","0.1486","0.1573","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205167","13.133","0.004","18.772","0.004","15.872","0.005","90","","104.706","0.005","90","","3784.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H43.88 Ag2 I0.1 N4 O1.88 -","- C34 H43.8828 Ag2 I0.1172 N4 O1.8828 -","- C136 H175.531 Ag8 I0.4688 N16 O7.5312 -","4","0.5","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.04","0.0352","","","0.1164","0.1192","","","","","","1.15","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205168","14.7807","0.0007","14.6784","0.0007","18.5397","0.0009","90","","111.032","0.001","90","","3754.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 Br2 N7 -","- C40 H41 Br2 N7 -","- C160 H164 Br8 N28 -","4","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0675","0.0405","","","0.1205","0.1358","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205169","8.885","0.0011","10.6269","0.0013","13.0417","0.0016","78.793","0.002","80.799","0.002","66.276","0.002","1101.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cl6 N4 O2 Pd2 S2 -","- C36 H52 Cl6 N4 O2 Pd2 S2 -","- C36 H52 Cl6 N4 O2 Pd2 S2 -","1","0.5","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0637","0.0559","","","0.1756","0.1845","","","","","","1.061","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205170","10.84","0.01","14.535","0.013","18.079","0.016","90","","90","","90","","2849","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tyr-Aib-Val","Tyr-Aib-Val","","- C24 H37 N3 O7 -","- C24 H37 N3 O7 -","- C96 H148 N12 O28 -","4","1","","Jana, Poulami; Maity, Sibaprasad; Haldar, Debasish","Insights into self-assembling nanoporous peptide and in situ reducing agent","CrystEngComm","2011","13","3","973","","10.1039/c0ce00143k","","","0.71073","MoKα","","0.1266","0.0504","","","0.0828","0.0919","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205171","19.129","0.003","19.129","0.003","6.764","0.0014","90","","90","","90","","2475.1","0.8","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H11 Cu O7 -","- C8 H10 Cu O7 -","- C64 H80 Cu8 O56 -","8","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0461","0.0399","","","0.1241","0.1294","","","","","","1.15","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205172","19.146","0.003","19.146","0.003","6.7427","0.0013","90","","90","","90","","2471.7","0.7","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C10 H9 Cu O5 -","- C10 H9 Cu O5 -","- C80 H72 Cu8 O40 -","8","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0994","0.0893","","","0.2586","0.2704","","","","","","1.12","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205173","18.052","0.0004","13.836","0.0003","19.114","0.0004","90","","90","","90","","4774.06","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cu2 N O10 -","- C21 H10 Cu2 N O10 -","- C168 H80 Cu16 N8 O80 -","8","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.2341","0.1322","","","0.3095","0.3843","","","","","","1.021","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205174","28.339","0.006","25.097","0.005","15.483","0.003","90","","90","","90","","11012","4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C23 H27 Cu2 N2 O11 -","- C23 H9 Cu2 N2 O11 -","- C368 H144 Cu32 N32 O176 -","16","","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.1063","0.077","","","0.2313","0.2626","","","","","","1.076","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205175","17.781","0.004","28.331","0.006","10.766","0.002","90","","101.92","0.03","90","","5306","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H35 Cu4 N2 O22.5 -","- C36 H26 Cu4 N2 O22.48 -","- C144 H104 Cu16 N8 O89.92 -","4","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0682","0.0522","","","0.1645","0.179","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205176","13.3706","0.0003","22.8263","0.0004","21.5225","0.0005","90","","108.81","0.003","90","","6217.9","0.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 Cl2 Cu3 N6 O22 Zn -","- C60 H70 Cl2 Cu3 N6 O22 Zn -","- C240 H280 Cl8 Cu12 N24 O88 Zn4 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0844","0.0387","","","0.0712","0.0766","","","","","","0.859","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205177","27.3303","0.0008","14.4792","0.0002","20.0508","0.0006","90","","124.977","0.004","90","","6501.4","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H73 Cd Cl2 Cu3 N7 O22 -","- C62 H73 Cd Cl2 Cu3 N7 O22 -","- C248 H292 Cd4 Cl8 Cu12 N28 O88 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0286","0.0222","","","0.059","0.06","","","","","","1.054","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205178","12.8064","0.0005","19.7143","0.0008","20.4235","0.0009","90","","90","","90","","5156.3","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C184 H216 Cl8 Cu8 Hg8 N16 O72 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0245","0.0191","","","0.0466","0.0493","","","","","","1.066","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205179","14.3298","0.0006","13.3337","0.0006","22.393","0.001","90","","104.045","0.001","90","","4150.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Ag Cl Cu2 N4 O13 -","- C40 H46 Ag Cl Cu2 N4 O13 -","- C160 H184 Ag4 Cl4 Cu8 N16 O52 -","4","1","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0604","0.036","","","0.0718","0.0784","","","","","","1.021","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205180","11.9829","0.0013","13.6251","0.0015","18.421","0.002","101.895","0.004","102.698","0.004","101.016","0.004","2781.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 N12 Ni3 O9 -","- C57 H42 Cl2 N12 Ni3 O9 -","- C114 H84 Cl4 N24 Ni6 O18 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.0841","0.0515","","","0.1393","0.1686","","","","","","0.946","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205181","11.2011","0.0004","20.4224","0.0007","21.3284","0.0007","87.517","0.001","88.43","0.001","74.111","0.001","4687.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H78 N24 Ni6 O11 -","- C96 H72 N24 Ni6 O11 -","- C192 H144 N48 Ni12 O22 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.1192","0.0632","","","0.1495","0.188","","","","","","1.005","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205182","11.3122","0.0003","20.4198","0.0005","21.5152","0.0005","93.457","0.001","90.374","0.001","104.83","0.001","4794.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 N26 Ni6 O15 -","- C96 H70 N26 Ni6 O15 -","- C192 H140 N52 Ni12 O30 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.0677","0.0432","","","0.1211","0.1374","","","","","","1.003","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205183","8.1512","0.0007","15.0605","0.0013","14.8508","0.0012","90","","93.726","0.001","90","","1819.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C72 H72 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0351","0.027","","","0.0676","0.0714","","","","","","1.025","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205184","9.4664","0.001","14.5654","0.0015","15.1276","0.0016","90","","102.247","0.001","90","","2038.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C80 H88 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0508","0.033","","","0.0724","0.0804","","","","","","1.014","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205185","9.6105","0.001","15.2014","0.0016","14.461","0.0015","90","","90.645","0.001","90","","2112.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O4 Zn -","- C21 H24 N4 O4 Zn -","- C84 H96 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0664","0.0434","","","0.1036","0.1156","","","","","","1.034","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205186","16.4763","0.0014","13.2934","0.0011","17.2155","0.0015","90","","90","","90","","3770.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N4 O5 Zn -","- C18 H18 N4 O5 Zn -","- C144 H144 N32 O40 Zn8 -","8","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.052","0.0336","","","0.076","0.0857","","","","","","1.025","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205187","9.7754","0.001","10.1743","0.0011","11.46","0.0012","94.87","0.001","100.693","0.001","105.202","0.001","1070.03","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C42 H48 N8 O10 Zn2 -","2","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0366","0.03","","","0.0747","0.0791","","","","","","1.016","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205188","19.0114","0.0011","4.9005","0.0004","31.062","0.002","90","","103.635","0.005","90","","2812.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,4-bis(2-(1-(2-amino-2-oxoethyl)-pyridinium-4-yl)vinyl)benzene dichloride","1,4-bis(2-[1-(2-amino-2-oxoethyl)-pyridinium-4-yl]vinyl)benzene dichloride","","- C24 H34 Cl2 N4 O7 -","- C24 H34 Cl2 N4 O7 -","- C96 H136 Cl8 N16 O28 -","4","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1039","0.0538","","","0.1211","0.1467","","","","","","1.021","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205189","9.191","0.002","9.3575","0.0019","12.722","0.003","102.463","0.018","91.268","0.019","113.86","0.016","969.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-ethyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate tetrahydrate","1,4-bis(2-[1-ethyl-pyridinium-4-yl]vinyl)benzene di-4-methylbenzenesulphonate tetrahydrate","","- C38 H48 N2 O10 S2 -","- C38 H48 N2 O10 S2 -","- C38 H48 N2 O10 S2 -","1","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1421","0.0653","","","0.1022","0.1227","","","","","","1.179","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205190","13.279","0.002","17.696","0.003","14.791","0.002","90","","101.907","0.004","90","","3400.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-bis(2-(1-ethyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate","","","- C38 H40 N2 O6 S2 -","- C38 H40 N2 O6 S2 -","- C152 H160 N8 O24 S8 -","4","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1158","0.0632","","","0.14","0.172","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205191","10.9786","0.0003","12.2743","0.0004","14.0937","0.0004","88.107","0.002","87.121","0.002","63.853","0.002","1702.56","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate - methanol (2:1)","","","- C37 H40 N2 O7 S2 -","- C37 H40 N2 O7 S2 -","- C74 H80 N4 O14 S4 -","2","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1066","0.0615","","","0.1568","0.1757","","","","","","0.899","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205192","8.9032","0.0011","18.99","0.002","9.9994","0.0011","90","","92.093","0.005","90","","1689.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate dihydrate","","","- C36 H40 N2 O7 S2 -","- C36 H40 N2 O8 S2 -","- C72 H80 N4 O16 S4 -","2","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.0676","0.043","","","0.0958","0.1104","","","","","","0.979","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205193","10.806","0.002","12.627","0.003","13.592","0.003","90.359","0.009","93.936","0.008","114.693","0.007","1679.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate","","","- C36 H36 N2 O6 S2 -","- C36 H36 N2 O6 S2 -","- C72 H72 N4 O12 S4 -","2","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1411","0.0598","","","0.1415","0.1765","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205194","18.861","0.005","16.141","0.004","13.487","0.004","90","","90","","90","","4105.9","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H24 Cu N6 O10 S -","- C14 H24 Cu N6 O10 S -","- C112 H192 Cu8 N48 O80 S8 -","8","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0986","0.0486","","","0.119","0.1405","","","","","","1.045","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205195","7.2549","0.0013","7.7629","0.0015","9.1054","0.0016","98.095","0.003","99.515","0.003","110.281","0.003","463.39","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N6 O6 -","- C14 H24 N6 O6 -","- C14 H24 N6 O6 -","1","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0535","0.0477","","","0.1654","0.1729","","","","","","1.384","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205196","10.447","0.002","10.755","0.003","12.474","0.003","104.33","0.004","102.14","0.004","110.924","0.003","1197.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 N6 O8 Zn -","- C19 H28 N6 O8 Zn -","- C38 H56 N12 O16 Zn2 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0722","0.0462","","","0.0941","0.1042","","","","","","1.015","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205197","31.51","0.007","8.534","0.002","18.891","0.004","90","","122.1","0.002","90","","4303.3","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Cd Cl2 N14 O6 -","- C34 H46 Cd Cl2 N14 O6 -","- C136 H184 Cd4 Cl8 N56 O24 -","4","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0313","0.0269","","","0.0693","0.0721","","","","","","1.062","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205198","30.671","0.012","7.551","0.003","24.101","0.01","90","","122.271","0.004","90","","4720","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Cd N6 O12 S -","- C14 H28 Cd N6 O12 S -","- C112 H224 Cd8 N48 O96 S8 -","8","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0665","0.0396","","","0.0796","0.09","","","","","","1.017","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205199","6.5225","0.0004","10.6474","0.0006","23.2444","0.0014","90","","93.983","0.002","90","","1610.37","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","205596 (3631-97-01)","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","1","","Schultheiss, Nate; Roe, Melanie; Boerrigter, Stephan X. M.","Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphs","CrystEngComm","2011","13","2","611","","10.1039/c0ce00214c","","","0.71073","MoKα","","0.0536","0.0447","","","0.1295","0.1367","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205200","8.1475","0.0007","11.2176","0.0009","14.8517","0.0013","75.956","0.002","84.712","0.002","73.34","0.002","1261.16","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3631-86-02 (205289)","","- C25 H28 N8 O7.2 -","- C25 H28 N8 O7.2 -","- C50 H56 N16 O14.4 -","2","1","","Schultheiss, Nate; Roe, Melanie; Boerrigter, Stephan X. M.","Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphs","CrystEngComm","2011","13","2","611","","10.1039/c0ce00214c","","","0.71073","MoKα","","0.0687","0.0538","","","0.1427","0.1512","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205201","17.559","0.003","11.426","0.002","21.736","0.003","90","","114.588","0.011","90","","3965.4","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cu2 N12 O9 -","- C36 H30 Cu2 N12 O9 -","- C144 H120 Cu8 N48 O36 -","4","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0966","0.0586","","","0.1319","0.1417","","","","","","1.034","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205202","13.607","0.002","17.518","0.003","9.3722","0.0016","90","","90","","90","","2234","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","0.5","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0496","0.0342","","","0.0685","0.0734","","","","","","1.05","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205203","10.7532","0.0019","12.38","0.002","12.823","0.002","66.004","0.003","78.439","0.004","82.324","0.004","1525.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Co N6 O6 -","- C35 H29 Co N6 O6 -","- C70 H58 Co2 N12 O12 -","2","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.1089","0.0699","","","0.1603","0.1838","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205204","10.2262","0.0014","14.248","0.002","14.761","0.002","90","","102.849","0.002","90","","2096.9","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 O6 Zn -","- C23 H18 N4 O6 Zn -","- C92 H72 N16 O24 Zn4 -","4","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0587","0.0493","","","0.1346","0.1391","","","","","","1.088","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205205","19.873","0.003","19.873","0.003","12.5477","0.0016","90","","90","","90","","4955.5","1.2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H40 Cu2 N16 W -","- C48 H40 Cu2 N16 W -","- C192 H160 Cu8 N64 W4 -","4","0.25","","Qian, Jun; Zhao, Huajian; Wei, Hongyang; Li, Jianghua; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Two 3D coordination assemblies with same cluster configuration showing different magnetic behaviors: a ferromagnetic {[W(CN)8Co2(DMF)8][NO3]}n and a paramagnetic {W(CN)8Cu2(py)8}n","CrystEngComm","2011","13","2","517","","10.1039/c0ce00227e","","","0.7107","MoKα","","0.0642","0.0583","","","0.0951","0.0968","","","","","","1.292","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205206","12.1408","0.0002","12.1408","0.0002","34.7802","0.0008","90","","90","","90","","5126.57","0.17","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H56 Co2 N16 O8 W -","- C32 H56 Co2 N16 O8 W -","- C128 H224 Co8 N64 O32 W4 -","4","0.25","","Qian, Jun; Zhao, Huajian; Wei, Hongyang; Li, Jianghua; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Two 3D coordination assemblies with same cluster configuration showing different magnetic behaviors: a ferromagnetic {[W(CN)8Co2(DMF)8][NO3]}n and a paramagnetic {W(CN)8Cu2(py)8}n","CrystEngComm","2011","13","2","517","","10.1039/c0ce00227e","","","0.71073","MoKα","","0.0267","0.0224","","","0.0524","0.0536","","","","","","1.042","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205207","12.9037","0.0011","6.1373","0.0005","18.3478","0.0016","90","","98.45","0.002","90","","1437.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O18 U3 -","- C20 H16 N6 O18 U3 -","- C40 H32 N12 O36 U6 -","2","0.5","","Knope, Karah E.; Cahill, Christopher L.","Uranyl triazolate formation via an in situ Huisgen 1,3-dipolar cycloaddition reaction","CrystEngComm","2011","13","1","153","","10.1039/c0ce00231c","","","0.71073","MoKα","","0.028","0.0215","","","0.0438","0.0458","","","","","","1.029","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205208","8.9604","0.0003","17.5585","0.0006","9.195","0.0003","90","","95.2519","0.0017","90","","1440.59","0.08","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 I N2 -","- C18 H11 I N2 -","- C72 H44 I4 N8 -","4","1","","Shishkin, Oleg V.; Dyakonenko, Viktorya V.; Maleev, Andrey V.; Schollmeyer, Dieter; Vysotsky, Myroslav O.","Columnar supramolecular architecture of crystals of 2-(4-Iodophenyl)-1,10-phenanthroline derived from values of intermolecular interaction energy","CrystEngComm","2011","13","3","800","","10.1039/c0ce00246a","","","0.71073","MoKα","","0.0247","0.0228","","","0.0595","0.0606","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205209","14.112","0.003","26.191","0.005","12.785","0.003","90","","112.92","0.03","90","","4352.4","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H26 Mn2 N6 O16 -","- C41 H26 Mn2 N6 O16 -","- C164 H104 Mn8 N24 O64 -","4","0.5","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.1142","0.0885","","","0.2257","0.2456","","","","","","1.023","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205210","14.381","0.003","16.173","0.003","21.049","0.004","89.88","0.03","89.88","0.03","65.1","0.03","4440.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H62.5 Co4 N12 O37.25 -","- C82 H54 Co4 N12 O37.25 -","- C164 H108 Co8 N24 O74.5 -","2","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0964","0.0795","","","0.1918","0.2008","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205211","8.1758","0.0016","11.792","0.002","14.983","0.003","73.99","0.03","77.45","0.03","78.48","0.03","1340.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N4 Ni O10 -","- C27 H17.5 N4 Ni O10 -","- C54 H35 N8 Ni2 O20 -","2","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.1471","0.0875","","","0.2007","0.241","","","","","","1.038","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205212","8.2329","0.0016","25.653","0.005","12.817","0.003","90","","101.72","0.03","90","","2650.5","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H20 N4 O8 Zn -","- C27 H20 N4 O8 Zn -","- C108 H80 N16 O32 Zn4 -","4","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0419","0.0344","","","0.0767","0.0799","","","","","","1.068","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205213","28.506","0.006","10.93","0.002","13.22","0.003","90","","104.18","0.03","90","","3993.5","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H26 Cd2 N6 O16 -","- C41 H26 Cd2 N6 O16 -","- C164 H104 Cd8 N24 O64 -","4","0.5","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0524","0.0318","","","0.0642","0.0702","","","","","","0.953","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205214","9.2625","0.0004","13.1795","0.0005","11.728","0.0005","90","","97.562","0.002","90","","1419.25","0.1","","","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.028","0.0219","","","0.0411","0.0436","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205215","12.7462","0.0003","8.5095","0.0002","13.1712","0.0003","90","","105.339","0.001","90","","1377.71","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.0446","0.0361","","","0.0874","0.0919","","","","","","1.063","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205216","6.1736","0.0002","9.15","0.0002","24.7578","0.0006","90","","92.857","0.001","90","","1396.79","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.0442","0.03","","","0.0608","0.0655","","","","","","1.065","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205217","12.159","0.004","12.159","0.004","20.852","0.006","90","","90","","90","","3082.8","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H40 Mo6 N16 Ni2 O19 -","- C48 H40 Mo6 N16 Ni2 O19 -","- C96 H80 Mo12 N32 Ni4 O38 -","2","0.125","","Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De","Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks","CrystEngComm","2011","13","5","1461","","10.1039/c0ce00259c","","","0.71069","MoKα","","0.1238","0.1067","","","0.275","0.297","","","","","","1.055","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205218","8.494","0.003","12.987","0.005","15.187","0.006","91.213","0.006","94.185","0.005","108.525","0.005","1582.5","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Mo6 N16 O29 P2 Zn4 -","- C48 H40 Mo6 N16 O29 P2 Zn4 -","- C48 H40 Mo6 N16 O29 P2 Zn4 -","1","0.5","","Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De","Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks","CrystEngComm","2011","13","5","1461","","10.1039/c0ce00259c","","","0.71069","MoKα","","0.1764","0.1088","","","0.2709","0.3239","","","","","","1.067","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205219","8.356","0.0006","9.822","0.0007","9.904","0.0007","68.292","0.001","85.2","0.001","82.759","0.001","748.57","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","1","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0586","0.0448","","","0.0781","0.0826","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205220","19.013","0.0004","9.2","0.0005","18.482","0.0008","90","","97.268","0.001","90","","3206.9","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 N8 O12 V4 Zn2 -","- C20 H28 N8 O12 V4 Zn2 -","- C80 H112 N32 O48 V16 Zn8 -","4","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0337","0.0318","","","0.0719","0.0727","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205221","15.574","0.0005","5.617","0.0007","19.09","0.0015","90","","108.408","0.001","90","","1584.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N4 O6 V2 Zn -","- C10 H6 N4 O6 V2 Zn -","- C40 H24 N16 O24 V8 Zn4 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0394","0.0346","","","0.0881","0.0908","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205222","20.7034","0.0004","7.5718","0.0002","30.7679","0.0009","90","","92.7486","0.0009","90","","4817.7","0.2","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O16 Zn -","- C17 H20 O16 Zn -","- C136 H160 O128 Zn8 -","8","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0904","0.0547","","","0.1423","0.1563","","","","","","0.978","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205223","10.8788","0.0002","30.1049","0.0006","8.5449","0.0002","90","","111.36","0.0014","90","","2606.27","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O15 Zn2 -","- C22 H23 N O15 Zn2 -","- C88 H92 N4 O60 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0787","0.0472","","","0.1215","0.1351","","","","","","1.023","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205224","28.0246","0.0006","12.3747","0.0003","14.1946","0.0003","90","","109.489","0.0011","90","","4640.6","0.18","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 Mn3 N2 O22 -","- C40 H24 Mn3 N2 O22 -","- C160 H96 Mn12 N8 O88 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0981","0.054","","","0.1342","0.1482","","","","","","0.941","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205225","10.2067","0.0004","11.1297","0.0006","13.9251","0.0005","112.663","0.003","104.574","0.003","94.796","0.0017","1383.57","0.11","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H8 Co2 O12 -","- C17 H8 Co2 O12 -","- C34 H16 Co4 O24 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.082","0.0486","","","0.1101","0.1162","","","","","","0.964","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205226","8.5594","0.0001","9.7574","0.0002","11.5046","0.0002","67.7013","0.0009","81.9196","0.0008","71.414","0.0011","842.41","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 Ag2 O11 -","- C17 H12 Ag2 O11 -","- C34 H24 Ag4 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0418","0.0312","","","0.0786","0.085","","","","","","1.022","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205227","13.8667","0.0004","14.8068","0.0004","14.605","0.0004","90","","114.175","0.0012","90","","2735.72","0.13","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd O10 -","- C18 H12 Cd O10 -","- C72 H48 Cd4 O40 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0369","0.0337","","","0.0953","0.0974","","","","","","1.091","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205228","11.1099","0.0001","13.8909","0.0001","22.485","0.0004","90","","90","","90","","3470.03","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N4 O14 Zn2 -","- C30 H38 N4 O14 Zn2 -","- C120 H152 N16 O56 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0555","0.0383","","","0.0819","0.0878","","","","","","0.982","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205229","10.0777","0.0002","11.0012","0.0002","15.0573","0.0003","72.949","0.0012","77.0468","0.0011","81.3705","0.001","1548.98","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Ni2 O12 -","- C18 H12 Ni2 O12 -","- C36 H24 Ni4 O24 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0553","0.0379","","","0.096","0.1009","","","","","","0.933","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205230","15.4803","0.0002","17.8109","0.0002","13.2541","0.0002","90","","104.711","0.0006","90","","3534.6","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag4 O22 -","- C36 H28 Ag4 O22 -","- C144 H112 Ag16 O88 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0583","0.0388","","","0.0894","0.0985","","","","","","1.003","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205231","16.437","0.0002","14.699","0.0002","17.5061","0.0002","90","","109.379","0.001","90","","3989.97","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N4 O13 S Zn2 -","- C39 H34 N4 O13 S Zn2 -","- C156 H136 N16 O52 S4 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0882","0.0493","","","0.1277","0.1417","","","","","","0.943","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205232","7.7679","0.0002","10.6578","0.0004","12.8283","0.0003","78.834","0.002","73.855","0.002","80.3001","0.0012","993.41","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Ag2 N O10 -","- C22 H14 Ag2 N O10 -","- C44 H28 Ag4 N2 O20 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0537","0.0377","","","0.0884","0.0974","","","","","","1.017","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205233","20.2908","0.0013","9.9513","0.0006","14.572","0.0009","90","","116.45","0.003","90","","2634.4","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Co N2 O10 -","- C28 H20 Co N2 O10 -","- C112 H80 Co4 N8 O40 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0752","0.0532","","","0.1042","0.1119","","","","","","1.077","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205234","13.5405","0.0003","21.5306","0.0005","13.5016","0.0003","90","","105.778","0.0013","90","","3787.89","0.15","110","2","110","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C30 H26 Co2 N2 O12 -","- C30 H26 Co2 N2 O12 -","- C120 H104 Co8 N8 O48 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0602","0.0468","","","0.1139","0.1181","","","","","","1.044","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205235","5.09","","3.6663","","18.0741","","90","","90","","90","","337.289","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1H-5aminotetrazole","1H-5aminotetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.0736","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205236","4.9624","","3.2575","","17.5375","","90","","90","","90","","283.494","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.017","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205237","4.8628","","3.0809","","17.2703","","90","","90","","90","","258.74","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.006","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205238","13.1695","0.0011","17.148","0.0011","14.6239","0.0016","90","","107.916","0.001","90","","3142.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cu2 N0 O25 -","- C16 H40 Cu2 O25 -","- C64 H160 Cu8 O100 -","4","0.5","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0502","0.0431","","","0.1202","0.1241","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205239","14.223","0.002","19.095","0.003","15.143","0.002","90","","113.099","0.002","90","","3782.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N4 Ni2 O16 -","- C36 H36 N4 Ni2 O16 -","- C144 H144 N16 Ni8 O64 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.1141","0.0494","","","0.0882","0.1014","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205240","13.1584","0.0005","17.1511","0.0005","14.6293","0.0005","90","","107.968","0.004","90","","3140.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Ni2 O25 -","- C16 H20 Ni2 O25 -","- C64 H80 Ni8 O100 -","4","0.5","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0577","0.0351","","","0.0751","0.0781","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205241","9.879","0.004","11.397","0.004","21.932","0.008","90","","93.03","0.005","90","","2465.9","1.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H22 Co N2 O11 -","- C26 H20 Co N2 O11 -","- C104 H80 Co4 N8 O44 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0738","0.052","","","0.1058","0.1166","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205242","14.264","","19.306","","15.435","","90","","113.44","","90","","3899.74","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 O17 Zn2 -","- C36 H36 N4 O17 Zn2 -","- C144 H144 N16 O68 Zn8 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.1214","0.0531","","","0.1084","0.1314","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205243","13.4203","0.0003","7.9925","0.0001","21.9329","0.0004","90","","98.726","0.001","90","","2325.33","0.07","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C46 H47 N4 Ni2 O9 S4 -","- C46 H47 N4 Ni2 O9 S4 -","- C92 H94 N8 Ni4 O18 S8 -","2","0.5","","Wang, Xiao-Juan; Zhan, Cai-Hong; Feng, Yun-Long; Lan, You-Zhao; Yin, Jian-Ling; Cheng, Jian-Wen","Two unusual (4,6)- and 8-connected metal‒organic frameworks constructed from flexible 1,4-benzenebis(thioacetic acid) and pyridine-based ligands","CrystEngComm","2011","13","2","684","","10.1039/c0ce00283f","","","0.71073","MoKα","","","0.0515","","","0.1428","0.1508","","","","","","1.055","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205244","17.0825","0.0002","11.5048","0.0001","9.5315","0.0001","90","","92.629","0.001","90","","1871.26","0.03","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Co N2 O4 S2 -","- C20 H16 Co N2 O4 S2 -","- C80 H64 Co4 N8 O16 S8 -","4","0.5","","Wang, Xiao-Juan; Zhan, Cai-Hong; Feng, Yun-Long; Lan, You-Zhao; Yin, Jian-Ling; Cheng, Jian-Wen","Two unusual (4,6)- and 8-connected metal‒organic frameworks constructed from flexible 1,4-benzenebis(thioacetic acid) and pyridine-based ligands","CrystEngComm","2011","13","2","684","","10.1039/c0ce00283f","","","0.71073","MoKα","","","0.0254","","","0.0674","0.0698","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205245","9.785","0.002","8.0179","0.0016","19.629","0.004","90","","93.61","0.03","90","","1536.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Ag2 Cl2 N14 O8 -","- C26 H22 Ag2 Cl2 N14 O8 -","- C52 H44 Ag4 Cl4 N28 O16 -","2","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0667","0.0339","","","0.0671","0.0758","","","","","","0.964","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205246","9.6693","0.001","10.2699","0.0011","11.6983","0.0013","79.178","0.002","72.441","0.002","64.003","0.002","993.39","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Ag2 Cl2 N16 O10 -","- C32 H36 Ag2 Cl2 N16 O10 -","- C32 H36 Ag2 Cl2 N16 O10 -","1","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0734","0.0639","","","0.1462","0.1509","","","","","","1.168","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205247","9.7471","0.0002","22.0918","0.0004","9.0346","0.0002","90","","113.243","0.0009","90","","1787.53","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag2 F6 N14 O6 S2 -","- C28 H22 Ag2 F6 N14 O6 S2 -","- C56 H44 Ag4 F12 N28 O12 S4 -","2","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0409","0.0322","","","0.0847","0.0886","","","","","","1.112","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205248","14.1853","0.0003","12.2037","0.0002","26.1827","0.0005","90","","104.167","0.0009","90","","4394.72","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Ag2 F12 N12 O5 P2 -","- C28 H46 Ag2 F12 N12 O5 P2 -","- C112 H184 Ag8 F48 N48 O20 P8 -","4","1","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.1009","0.0473","","","0.1128","0.1334","","","","","","1.032","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205249","8.5909","0.0008","27.272","0.002","10.5706","0.0009","90","","105.897","0.005","90","","2381.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Mn N5 O8 -","- C24 H15 Mn N5 O8 -","- C96 H60 Mn4 N20 O32 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.0551","0.0458","","","0.1073","0.1152","","","","","","1.099","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205250","16.913","0.008","9.364","0.004","28.085","0.013","90","","101.681","0.009","90","","4356","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Mn2 N8 O21 -","- C38 H22 Mn2 N8 O21 -","- C152 H88 Mn8 N32 O84 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.1067","0.0876","","","0.2292","0.2446","","","","","","1.075","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205251","24.82","0.002","13.4888","0.0009","7.3141","0.0005","90","","90","","90","","2448.7","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H18 Mn N5 O9.5 -","- C24 H15 Mn N5 O9.5 -","- C96 H60 Mn4 N20 O38 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.0627","0.0489","","","0.1071","0.1147","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205252","33.857","0.013","9.373","0.003","29.727","0.011","90","","112.2","0.007","90","","8734","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H56 Mn4 N18 O34 -","- C86 H52 Mn4 N18 O34 -","- C344 H208 Mn16 N72 O136 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.1072","0.0679","","","0.1696","0.1959","","","","","","1.077","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205253","9.207","0.001","24.232","0.003","17.811","0.002","90","","114.068","0.005","90","","3628.2","0.7","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N6 O12 -","- C36 H30 N6 O12 -","- C144 H120 N24 O48 -","4","1","","Masu, Hyuma; Sagara, Yuko; Imabeppu, Fumiaki; Takayanagi, Hiroaki; Katagiri, Kosuke; Kawahata, Masatoshi; Tominaga, Masahide; Kagechika, Hiroyuki; Yamaguchi, Kentaro; Azumaya, Isao","Crystal structure of spherical aromatic amide: pseudopolymorphs and formation of infinite water cluster in the channel structure","CrystEngComm","2011","13","2","406","","10.1039/c0ce00301h","","","0.71073","MoKα","","0.1042","0.0577","","","0.1465","0.167","","","","","","1.075","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205254","9.133","0.003","19.628","0.006","22.662","0.006","90","","107.77","0.01","90","","3869","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 N9 O6 -","- C42 H39 N9 O6 -","- C168 H156 N36 O24 -","4","1","","Masu, Hyuma; Sagara, Yuko; Imabeppu, Fumiaki; Takayanagi, Hiroaki; Katagiri, Kosuke; Kawahata, Masatoshi; Tominaga, Masahide; Kagechika, Hiroyuki; Yamaguchi, Kentaro; Azumaya, Isao","Crystal structure of spherical aromatic amide: pseudopolymorphs and formation of infinite water cluster in the channel structure","CrystEngComm","2011","13","2","406","","10.1039/c0ce00301h","","","0.71073","MoKα","","0.1482","0.0711","","","0.1649","0.1905","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205255","9.5891","0.0005","16.8764","0.0008","8.6411","0.0004","90","","108.031","0.004","90","","1329.71","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd N4 O4 -","- C12 H12 Cd N4 O4 -","- C48 H48 Cd4 N16 O16 -","4","1","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0244","0.0212","","","0.056","0.0574","","","","","","1.049","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205256","10.6762","0.0003","14.9236","0.0005","10.2986","0.0003","90","","95.463","0.002","90","","1633.4","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 Cd N4 O6 -","- C11 H22 Cd N4 O6 -","- C44 H88 Cd4 N16 O24 -","4","1","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0264","0.0235","","","0.0608","0.0622","","","","","","1.026","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205257","6.5073","0.0005","9.4505","0.0008","9.567","0.0009","65.998","0.007","85.229","0.007","72.619","0.007","512.43","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 Cd2 N6 O14 -","- C10 H22 Cd2 N6 O14 -","- C10 H22 Cd2 N6 O14 -","1","0.5","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0222","0.0213","","","0.0528","0.0533","","","","","","1.13","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205258","12.026","0.002","14.039","0.003","24.77","0.005","90","","90.44","0.03","90","","4181.9","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 I9 N3 Pb3 -","- C21 H27 I9 N3 Pb3 -","- C84 H108 I36 N12 Pb12 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1164","0.0785","","","0.1435","0.1622","","","","","","1.097","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205259","12.328","0.003","14.341","0.003","24.982","0.005","90","","90.24","0.03","90","","4416.7","1.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 I9 N3 Pb3 -","- C24 H33 I9 N3 Pb3 -","- C96 H132 I36 N12 Pb12 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1013","0.0722","","","0.1244","0.1369","","","","","","1.109","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205260","16.182","0.003","21.323","0.004","17.966","0.004","90","","103.44","0.03","90","","6029","2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 I12 N4 Pb4 -","- C32 H44 I12 N4 Pb4 -","- C128 H176 I48 N16 Pb16 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1803","0.0986","","","0.1842","0.2363","","","","","","1.062","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205261","16.743","0.003","14.793","0.003","28.814","0.006","90","","94.97","0.03","90","","7110","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H45 I12 N11 Pb4 -","- C38 H45 I12 N11 Pb4 -","- C152 H180 I48 N44 Pb16 -","4","0.5","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1252","0.0725","","","0.1437","0.172","","","","","","1.045","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205262","7.861","0.0011","12.7769","0.0019","16.133","0.002","90","","97.655","0.004","90","","1605.9","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 I3 N2 Pb -","- C9 H11 I3 N2 Pb -","- C36 H44 I12 N8 Pb4 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0948","0.065","","","0.2498","0.2694","","","","","","1.153","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205263","19.208","0.003","19.208","0.003","7.8129","0.0016","90","","90","","120","","2496.4","0.8","223","2","223","2","","","","","","","","5","P -3","-P 3","147","","","","- C27 H33 I9 N6 Pb3 -","- C27 H33 I9 N6 Pb3 -","- C54 H66 I18 N12 Pb6 -","2","0.333333","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0635","0.0403","","","0.064","0.0721","","","","","","0.933","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205264","8.0356","0.0016","14.126","0.003","16.065","0.003","90","","93.41","0.03","90","","1820.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I3 N2 Pb -","- C13 H11 I3 N2 Pb -","- C52 H44 I12 N8 Pb4 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0724","0.0528","","","0.11","0.1188","","","","","","1.023","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205265","7.7261","0.0015","21.194","0.004","19.674","0.004","90","","94.01","0.03","90","","3213.7","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 I12 N8 Pb4 -","- C40 H32 I12 N8 Pb4 -","- C80 H64 I24 N16 Pb8 -","2","0.5","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0804","0.0372","","","0.0597","0.0695","","","","","","0.815","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205266","18.894","0.0002","9.387","0.0001","36.767","0.0004","90","","101.624","0.001","90","","6387.18","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 N8 O6 Zn1.5 -","- C32 H29 N8 O6 Zn1.5 -","- C256 H232 N64 O48 Zn12 -","8","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0407","0.0306","","","0.0706","0.0762","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205267","13.965","0.0005","10.813","0.0004","24.206","0.0008","90","","98.454","0.002","90","","3615.5","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H18 N4 O4.5 Zn -","- C17.5 H16.5 N4 O4.5 Zn -","- C140 H132 N32 O36 Zn8 -","8","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0719","0.0483","","","0.1093","0.1217","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205268","20.099","0.0006","9.143","0.0004","17.549","0.0007","90","","115.116","0.002","90","","2920","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N8 O5 Zn -","- C30 H26 N8 O5 Zn -","- C120 H104 N32 O20 Zn4 -","4","0.5","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0904","0.0582","","","0.1443","0.1696","","","","","","1.171","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205269","5.275","0.0001","21.507","0.0003","12.253","0.0002","90","","101.063","0.001","90","","1364.26","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl2 N4 Zn -","- C13 H10 Cl2 N4 Zn -","- C52 H40 Cl8 N16 Zn4 -","4","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0317","0.0263","","","0.0628","0.0658","","","","","","1.05","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205270","7.423","0.0002","8.846","0.0003","14.056","0.0005","90.48","0.001","104.689","0.001","101.917","0.002","871.76","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N5 O6 Zn0.5 -","- C15 H20 N5 O6 Zn0.5 -","- C30 H40 N10 O12 Zn -","2","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0606","0.0389","","","0.0846","0.091","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205271","10.7882","0.0013","12.3072","0.0012","14.2893","0.0014","83.183","0.007","69.59","0.007","65.174","0.008","1612.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 N6 O10 S Zn2.5 -","- C23 H19 N6 O10 S Zn2.5 -","- C46 H38 N12 O20 S2 Zn5 -","2","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71075","MoKα","","0.0957","0.0789","","","0.2159","0.2274","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205272","17.4744","0.0013","9.8931","0.0008","25.4804","0.0014","90","","131.238","0.003","90","","3312.4","0.4","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H19 Cd11 N8 O1.5 S8.25 Zn -","- C28 H19 Cd N8 O11 S Zn0.5 -","- C112 H76 Cd4 N32 O44 S4 Zn2 -","4","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71075","MoKα","","0.1193","0.1023","","","0.2532","0.2613","","","","","","1.657","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205273","25.0558","0.0007","6.88418","0.00018","11.5251","0.0003","90","","108.977","0.003","90","","1879.9","0.09","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H7.5 Cd2.25 O8 S0.5 -","- C4 H7.5 Cd2.25 O8 S0.5 -","- C32 H60 Cd18 O64 S4 -","8","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.0266","0.0237","","","0.0564","0.0574","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205274","17.181","0.003","9.5978","0.0011","24.677","0.003","90","","130.288","0.009","90","","3104","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H19 N8 O11 S Zn1.5 -","- C28 H19 N8 O11 S Zn1.5 -","- C112 H76 N32 O44 S4 Zn6 -","4","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.129","0.0762","","","0.1777","0.195","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205275","8.7544","0.0007","10.1037","0.0007","10.4206","0.0006","72.928","0.005","79.968","0.005","69.699","0.007","823.68","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cu3 O13 S -","- C10 H11 Cu3 O13 S -","- C20 H22 Cu6 O26 S2 -","2","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.0265","0.0227","","","0.0624","0.0632","","","","","","1.112","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205276","7.475","0.006","13.365","0.01","13.784","0.01","98.9","0.04","102.77","0.03","105.84","0.05","1257.6","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl N4 O9 -","- C24 H25 Cl N4 O9 -","- C48 H50 Cl2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.1069","0.0518","","","0.1101","0.124","","","","","","0.81","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205277","7.6818","0.0006","13.3835","0.0011","13.8995","0.0012","99.08","0.01","103.12","0.05","106.33","0.03","1297.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N4 O9 -","- C24 H25 Br N4 O9 -","- C48 H50 Br2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.0515","0.0344","","","0.0854","0.0928","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205278","15.2304","0.0007","8.9608","0.0004","20.056","0.001","90","","101.073","0.003","90","","2686.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N5 O12 -","- C24 H25 N5 O12 -","- C96 H100 N20 O48 -","4","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.277","0.0611","","","0.0874","0.1162","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205279","11.9923","0.0005","12.575","0.0006","18.074","0.0008","90","","103.045","0.002","90","","2655.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl N4 O13 -","- C24 H25 Cl N4 O13 -","- C96 H100 Cl4 N16 O52 -","4","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.165","0.046","","","0.0848","0.0969","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205280","6.834","0.0009","12.5542","0.0011","16.8656","0.0018","99.533","0.005","94.301","0.006","99.636","0.007","1399","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 F3 N4 O11 -","- C26 H25 F3 N4 O11 -","- C52 H50 F6 N8 O22 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.17","0.0688","","","0.0946","0.1081","","","","","","0.931","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205281","15.4544","0.0009","17.932","0.0009","18.607","0.001","116.352","0.003","94.269","0.005","106.342","0.003","4313.2","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 F6 N8 O20 Si -","- C48 H50 F6 N8 O20 Si -","- C144 H150 F18 N24 O60 Si3 -","3","1.5","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.1594","0.0935","","","0.2127","0.244","","","","","","1.161","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205282","4.871","0.002","6.398","0.001","28.42","0.006","90","","96.57","0.02","90","","879.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-(p-phenylenedimethylidyne)bis(2,3,4,5,6- pentafluoroaniline)","N,N'-(p-phenylenedimethylidyne)bis[2,3,4,5,6-pentafluoroaniline]","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C40 H12 F20 N4 -","2","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.0591","0.0331","","","0.0836","0.0963","","","","","","1.005","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205283","6.223","0.002","5.907","0.001","24.427","0.008","90","","103.8","0.03","90","","872","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine","Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C40 H12 F20 N4 -","2","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.1477","0.0562","","","0.1361","0.1738","","","","","","1.043","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205284","5.846","0.002","7.929","0.002","10.331","0.003","109.78","0.02","102.35","0.03","96.13","0.03","431.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4- phenylenediamine","N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4-phenylenediamine","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","1","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.0701","0.0562","","","0.1554","0.1696","","","","","","1.047","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205285","20.249","0.004","21.122","0.004","22.153","0.004","90","","90","","90","","9475","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C50 H51 Bi Cu2 N10 O63 W18 -","- C50 H38 Bi Cu2 N10 O63 W18 -","- C200 H152 Bi4 Cu8 N40 O252 W72 -","4","0.5","","Wang, Bin; Hou, Guang-Feng; Meng, Rui-Qi; Bi, Li-Hua; Li, Bao; Wu, Li-Xin","A novel NbO-type framework constructed from Dawson-like tungstobismuthate and copper complex fragments","CrystEngComm","2011","13","5","1360","","10.1039/c0ce00327a","","","0.71073","MoKα","","0.0683","0.0557","","","0.1073","0.1114","","","","","","1.171","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205286","9.6342","0.0014","12.1379","0.0017","13.3493","0.0019","90","","104.034","0.002","90","","1514.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cu N2 O6 -","- C17 H10 Cu N2 O6 -","- C68 H40 Cu4 N8 O24 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0901","0.0494","","","0.131","0.1538","","","","","","0.873","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205287","8.872","0.003","14.004","0.005","15.346","0.005","71.07","0.006","73.666","0.007","76.13","0.007","1707.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N4 O15 Zn2 -","- C34 H20 N4 O15 Zn2 -","- C68 H40 N8 O30 Zn4 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0986","0.0627","","","0.1415","0.1635","","","","","","1.148","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205288","8.5318","0.0014","10.7273","0.0017","11.1772","0.0018","71.72","0.003","73.501","0.003","70.674","0.002","897.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O8 Zn -","- C19 H14 N2 O8 Zn -","- C38 H28 N4 O16 Zn2 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0795","0.0466","","","0.1057","0.123","","","","","","1.014","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205289","7.6821","0.0008","9.8561","0.001","13.5031","0.0014","84.562","0.002","80.973","0.002","76.465","0.002","979.89","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O10 Zn -","- C19 H16 N2 O10 Zn -","- C38 H32 N4 O20 Zn2 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0655","0.0448","","","0.1165","0.1398","","","","","","1.084","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205290","10.9267","0.0015","23.869","0.004","8.9977","0.0013","90","","113.911","0.003","90","","2145.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 Ni O11 -","- C19 H10 N2 Ni O11 -","- C76 H40 N8 Ni4 O44 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.142","0.0829","","","0.2139","0.2581","","","","","","1.046","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205291","12.634","0.002","12.944","0.002","19.357","0.003","90","","102.815","0.003","90","","3086.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H28.6 N4 O11.3 Zn -","- C31 H28.6 N4 O11.3 Zn -","- C124 H114.4 N16 O45.2 Zn4 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.1651","0.0726","","","0.1822","0.2276","","","","","","0.991","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7205292","13.8255","0.0008","6.7309","0.0004","23.8617","0.0015","90","","99.269","0.001","90","","2191.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N6 Ni2 O18 U -","- C40 H48 N6 Ni2 O18 U -","- C80 H96 N12 Ni4 O36 U2 -","2","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0413","0.0285","","","0.0621","0.0663","","","","","","1.042","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205293","9.3676","0.0003","11.8493","0.0004","11.8723","0.0003","70.658","0.003","88.787","0.002","78.815","0.003","1218.5","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Cu2 N6 O18.68 U -","- C48 H48 Cu2 N6 O18.68 U -","- C48 H48 Cu2 N6 O18.68 U -","1","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.02","0.0189","","","0.0433","0.0435","","","","","","1.017","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205294","9.5289","0.0003","11.6487","0.0004","11.8174","0.0004","70.475","0.003","88.426","0.002","77.801","0.003","1207.05","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 N6 Ni2 O18 U -","- C48 H48 N6 Ni2 O18 U -","- C48 H48 N6 Ni2 O18 U -","1","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0243","0.0216","","","0.0477","0.0481","","","","","","1.021","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205295","17.1119","0.0004","14.9193","0.0002","13.1779","0.0003","90","","118.496","0.003","90","","2956.7","0.13","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu N4 O14 U -","- C24 H32 Cu N4 O14 U -","- C96 H128 Cu4 N16 O56 U4 -","4","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0277","0.0193","","","0.0405","0.0414","","","","","","0.911","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205296","6.1645","0.0012","10.074","0.002","13.503","0.003","68.951","0.002","80.872","0.002","76.667","0.002","758.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 Nd2 O25 -","- C14 H30 N4 Nd2 O25 -","- C14 H30 N4 Nd2 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.036","0.0338","","","0.0887","0.0902","","","","","","1.036","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205297","6.1139","0.0012","9.983","0.0019","13.413","0.003","68.931","0.002","80.96","0.002","76.689","0.002","740.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O25 Sm2 -","- C14 H30 N4 O25 Sm2 -","- C14 H30 N4 O25 Sm2 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0464","0.0374","","","0.0839","0.0867","","","","","","0.987","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205298","6.1009","0.0008","9.9758","0.0016","13.3825","0.0018","68.871","0.001","81.033","0.002","76.75","0.002","737.09","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Eu2 N4 O25 -","- C14 H30 Eu2 N4 O25 -","- C14 H30 Eu2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0376","0.032","","","0.072","0.0742","","","","","","1.081","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205299","6.0922","0.0005","9.9633","0.0009","13.3598","0.0012","68.853","0.001","81.104","0.001","76.848","0.001","734.12","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Gd2 N4 O25 -","- C14 H30 Gd2 N4 O25 -","- C14 H30 Gd2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0221","0.0209","","","0.0526","0.0533","","","","","","1.021","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205300","6.078","0.003","9.95","0.005","13.337","0.007","68.823","0.006","81.142","0.007","76.813","0.007","730","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O25 Tb2 -","- C14 H30 N4 O25 Tb2 -","- C14 H30 N4 O25 Tb2 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0798","0.0651","","","0.156","0.1651","","","","","","0.98","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205301","6.0535","0.0006","9.9159","0.0009","13.2903","0.0012","68.832","0.001","81.273","0.001","76.875","0.001","722.36","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Dy2 N4 O25 -","- C14 H30 Dy2 N4 O25 -","- C14 H30 Dy2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0367","0.0329","","","0.0718","0.073","","","","","","0.973","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205302","5.995","0.0005","19.0242","0.0016","12.1311","0.0008","90","","119.201","0.003","90","","1207.72","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Eu N3 O9 -","- C9 H9 Eu N3 O9 -","- C36 H36 Eu4 N12 O36 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0235","0.0208","","","0.0495","0.0506","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205303","6.002","0.002","19.161","0.007","12.255","0.004","90","","118.793","0.013","90","","1235.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Pr -","- C9 H9 N3 O9 Pr -","- C36 H36 N12 O36 Pr4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0528","0.0468","","","0.1113","0.114","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205304","6.0008","0.0004","19.0754","0.0014","12.1796","0.0007","90","","119.05","0.003","90","","1218.78","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Sm -","- C9 H9 N3 O9 Sm -","- C36 H36 N12 O36 Sm4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0299","0.0275","","","0.0673","0.0685","","","","","","1.018","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205305","5.9955","0.0014","18.987","0.004","12.101","0.003","90","","119.371","0.009","90","","1200.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Tb -","- C9 H9 N3 O9 Tb -","- C36 H36 N12 O36 Tb4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0324","0.0281","","","0.0641","0.066","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205306","13.191","0.0008","10.3449","0.0005","7.4635","0.0004","90","","102.23","0.006","90","","995.35","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(adipic acid).(nicotinic acid hydrazide)2","(adipic acid).(nicotinic acid hydrazide)2","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0618","0.0502","","","0.1285","0.1317","","","","","","1.21","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205307","5.088","0.0002","38.997","0.0016","6.347","0.0002","90","","94.128","0.004","90","","1256.08","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(adipic acid).((N'-(propan-2-ylidene)nicotinohydrazide)2","(adipic acid).((N'-(propan-2-ylidene)nicotinohydrazide)2","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0756","0.0664","","","0.1253","0.1278","","","","","","1.19","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205308","8.083","0.0004","26.586","0.001","8.097","0.0004","90","","104.449","0.004","90","","1684.97","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(succinic acid).(nicotinic acid hydrazide)2","(succinic acid).(nicotinic acid hydrazide)2","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C64 H80 N24 O24 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0489","0.0359","","","0.0904","0.0946","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205309","5.0707","0.0001","44.5556","0.0008","6.3992","0.0001","90","","94.587","0.002","90","","1441.13","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2","(sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2","","- C28 H40 N6 O6 -","- C28 H40 N6 O6 -","- C56 H80 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0834","0.0806","","","0.1912","0.1933","","","","","","0.995","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205310","12.876","0.003","13.256","0.003","14.198","0.003","66.67","0.03","67.42","0.03","75.36","0.03","2040.1","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H50 Cu3 Mo8 N12 O44 P V6 -","- C54 H46 Cu3 Mo8 N12 O44 P V6 -","- C54 H46 Cu3 Mo8 N12 O44 P V6 -","1","0.5","","Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo","Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands","CrystEngComm","2011","13","2","649","","10.1039/c0ce00356e","","","0.71073","MoKα","","0.1142","0.0695","","","0.1549","0.1778","","","","","","1.065","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205311","11.366","0.002","11.188","0.002","19.927","0.004","90","","90","","90","","2534","0.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H21 Cl2 Cu2 N4 O -","- C26 H21 Cl2 Cu2 N4 O -","- C104 H84 Cl8 Cu8 N16 O4 -","4","0.5","","Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo","Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands","CrystEngComm","2011","13","2","649","","10.1039/c0ce00356e","","","0.71073","MoKα","","0.1092","0.0671","","","0.1763","0.2062","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205312","14.5138","0.0011","17.2793","0.0013","25.1262","0.0016","90","","107.933","0.004","90","","5995.2","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 Ag4 N12 O9 -","- C59 H52 Ag4 N12 O9 -","- C236 H208 Ag16 N48 O36 -","4","1","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.0944","0.0508","","","0.0818","0.0879","","","","","","1.05","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205313","13.85","0.0012","15.0646","0.0013","21.0658","0.0018","90","","90","","90","","4395.3","0.7","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H80 Ag4 N16 O18 -","- C90 H80 Ag4 N16 O18 -","- C180 H160 Ag8 N32 O36 -","2","0.25","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.1074","0.0631","","","0.1335","0.1437","","","","","","1.02","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205314","12.561","0.002","13.1448","0.0012","18.7697","0.0018","84.391","0.002","83.666","0.001","76.304","0.003","2984.4","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H43 Ag8 N8 O16 -","- C62 H43 Ag8 N8 O16 -","- C124 H86 Ag16 N16 O32 -","2","1","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.0871","0.0582","","","0.1224","0.1287","","","","","","1.062","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205315","7.2871","0.0015","7.9395","0.0016","8.5516","0.0017","117.58","0.03","95.8","0.03","93.48","0.03","433","0.2","118","2","118","2","","","","","","","","5","P -1","-P 1","2","2-chloro-4-nitrobenzoic acid hydrate","2-chloro-4-nitrobenzoic acid hydrate","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0292","0.0287","","","0.0736","0.0741","","","","","","1.082","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205316","6.918","0.003","8.368","0.003","9.714","0.003","106.777","0.002","93.774","0.004","108.433","0.005","503.1","0.3","136","2","136","2","","","","","","","","5","P -1","-P 1","2","1,4-dioxane solvate of 2-chloro-4-nitrobenzoic acid","1,4-dioxane solvate of 2-chloro-4-nitrobenzoic acid","","- C9 H8 Cl N O5 -","- C9 H8 Cl N O5 -","- C18 H16 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71075","MoKα","","0.0523","0.0483","","","0.1188","0.1221","","","","","","1.142","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205317","5.497","0.003","10.408","0.004","10.594","0.004","74.095","0.015","81.029","0.012","85.487","0.016","575.4","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","DMSO solvate of 2-chloro-4-nitrobenzoic acid","DMSO solvate of 2-chloro-4-nitrobenzoic acid","","- C9 H10 Cl N O5 S -","- C9 H10 Cl N O5 S -","- C18 H20 Cl2 N2 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71075","MoKα","","0.0502","0.0485","","","0.1256","0.1269","","","","","","1.214","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205318","5.8156","0.0012","10.387","0.002","12.207","0.002","83.67","0.03","77.63","0.03","81.03","0.03","709.2","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","acetophenone solvate of 2-chloro-4-nitrobenzoic acid","acetophenone solvate of 2-chloro-4-nitrobenzoic acid","","- C15 H12 Cl N O5 -","- C15 H12 Cl N O5 -","- C30 H24 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0432","0.04","","","0.1076","0.1171","","","","","","1.15","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205319","10.79","0.002","11.767","0.002","8.9666","0.0018","90","","90.71","0.03","90","","1138.4","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-xylene solvate of 2-chloro-4-nitrobenzoic acid","p-xylene solvate of 2-chloro-4-nitrobenzoic acid","","- C22 H18 Cl2 N2 O8 -","- C22 H18 Cl2 N2 O8 -","- C44 H36 Cl4 N4 O16 -","2","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0749","0.0669","","","0.174","0.1861","","","","","","1.196","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205320","23.088","0.005","12.018","0.002","8.9206","0.0018","90","","110.29","0.03","90","","2321.6","0.9","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mesitylene solvate of 2-chloro-4-nitrobenzoic acid","mesitylene solvate of 2-chloro-4-nitrobenzoic acid","","- C23 H20 Cl2 N2 O8 -","- C23 H20 Cl2 N2 O8 -","- C92 H80 Cl8 N8 O32 -","4","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0594","0.052","","","0.1381","0.1511","","","","","","1.183","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205321","8.3337","0.0003","14.6878","0.0004","18.7462","0.0005","90","","90","","90","","2294.6","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H29 Cs O11 -","- C20 H29 Cs O11 -","- C80 H116 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0744","0.0328","","","0.0426","0.0472","","","","","","0.698","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205322","8.2066","0.0002","15.3598","0.0004","18.9926","0.0004","90","","90","","90","","2394.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O10 -","- C21 H31 Cs O10 -","- C84 H124 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0518","0.0361","","","0.0515","0.0538","","","","","","0.87","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205323","8.2041","0.0002","15.3854","0.0004","19.3495","0.0006","90","","90","","90","","2442.36","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Br Cs O10 -","- C20 H28 Br Cs O10 -","- C80 H112 Br4 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0633","0.0479","","","0.1189","0.1238","","","","","","1.028","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205324","8.1436","0.0002","14.9847","0.0002","20.1066","0.0004","90","","90","","90","","2453.6","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O11 -","- C21 H31 Cs O11 -","- C84 H124 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0337","0.027","","","0.0517","0.0529","","","","","","0.975","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205325","8.1755","0.0002","15.5119","0.0003","19.1951","0.0003","90","","90","","90","","2434.28","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Cs N O12 -","- C20 H28 Cs N O12 -","- C80 H112 Cs4 N4 O48 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0392","0.0295","","","0.041","0.0422","","","","","","0.895","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205326","12.4406","0.0003","16.237","0.0005","14.1394","0.0004","90","","98.318","0.002","90","","2826.09","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CROWN ETHER COMPLEX","","","- C24 H37 Cs O10 -","- C24 H37 Cs O10 -","- C96 H148 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0684","0.0407","","","0.0901","0.0955","","","","","","0.939","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205327","7.8327","0.0016","19.556","0.004","12.624","0.003","90","","97.82","0.03","90","","1915.7","0.7","164","2","164","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H34 Cu2 F6 N6 O10 S2 -","- C30 H34 Cu2 F6 N6 O10 S2 -","- C60 H68 Cu4 F12 N12 O20 S4 -","2","1","","Phan, Ngoc Hien; Halasz, Ivan; Opahle, Ingo; Alig, Edith; Fink, Lothar; Bats, Jan W.; Cong, Pham Thanh; Lerner, Hans-Wolfram; Sarkar, Biprajit; Wolf, Bernd; Jeschke, Harald O.; Lang, Michael; Valentí, Roser; Dinnebier, Robert; Wagner, Matthias","Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer","CrystEngComm","2011","13","2","391","","10.1039/c0ce00367k","","","0.71073","MoKα","","0.1413","0.0783","","","0.1564","0.1743","","","","","","0.998","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205328","10.92547","0.00017","7.96493","0.00012","18.36893","0.0003","90","","116.075","0.00084","90","","1435.78","0.04","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cu2 F6 N4 O8 S2 -","- C24 H20 Cu2 F6 N4 O8 S2 -","- C48 H40 Cu4 F12 N8 O16 S4 -","2","0.5","","Phan, Ngoc Hien; Halasz, Ivan; Opahle, Ingo; Alig, Edith; Fink, Lothar; Bats, Jan W.; Cong, Pham Thanh; Lerner, Hans-Wolfram; Sarkar, Biprajit; Wolf, Bernd; Jeschke, Harald O.; Lang, Michael; Valentí, Roser; Dinnebier, Robert; Wagner, Matthias","Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer","CrystEngComm","2011","13","2","391","","10.1039/c0ce00367k","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0125","","1.78","","","","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205329","23.374","0.004","27.595","0.004","13.619","0.002","90","","90","","90","","8784","2","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H18 Cd N5 O6 -","- C21 H18 Cd N5 O6 -","- C336 H288 Cd16 N80 O96 -","16","1","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0326","0.0282","","","0.067","0.0697","","","","","","0.949","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205330","8.444","0.005","9.314","0.005","18.782","0.011","90","","95.106","0.007","90","","1471.3","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Fe2 N4 O10 -","- C12 H6 Fe2 N4 O10 -","- C48 H24 Fe8 N16 O40 -","4","0.5","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0695","0.0525","","","0.1606","0.173","","","","","","1.095","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205331","9.7125","0.0016","18.472","0.003","11.85","0.002","90","","94.31","0.002","90","","2120","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu2 N4 O11.5 -","- C16 H16 Cu2 N4 O11.5 -","- C64 H64 Cu8 N16 O46 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0495","0.0394","","","0.1179","0.1262","","","","","","0.944","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205332","12.7702","0.0016","8.2854","0.001","11.1489","0.0014","90","","95.42","0.01","90","","1174.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 As O9 S Zn2 -","- C6 H9 As O9 S Zn2 -","- C24 H36 As4 O36 S4 Zn8 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0407","0.0339","","","0.0843","0.0887","","","","","","1.029","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205333","12.5726","0.0008","13.0537","0.0007","14.0286","0.0011","90","","96.83","0.005","90","","2286","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 As2 Cd3 O16 S2 -","- C12 H16 As2 Cd3 O15.992 S1.996 -","- C48 H64 As8 Cd12 O63.968 S7.984 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0727","0.0514","","","0.1023","0.1122","","","","","","1.08","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205334","10.32","0.003","14.576","0.004","20.283","0.006","79.202","0.007","83.149","0.006","88.874","0.008","2975.6","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H54 As2 N8 O18 S2 Zn2 -","- C52 H52 As2 N8 O18 S2 Zn2 -","- C104 H104 As4 N16 O36 S4 Zn4 -","2","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1028","0.0665","","","0.1746","0.2012","","","","","","1.035","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205335","8.191","0.005","20.656","0.012","21.283","0.013","90","","94.942","0.013","90","","3588","4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 As2 Cd2 N4 O12 S2 -","- C32 H26 As2 Cd2 N4 O12 S2 -","- C128 H104 As8 Cd8 N16 O48 S8 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1116","0.08","","","0.1569","0.1746","","","","","","1.155","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205336","19.161","0.006","14.429","0.004","14.001","0.004","90","","90.449","0.004","90","","3871","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 As2 N4 O14 S2 Zn2 -","- C36 H30 As2 N4 O14 S2 Zn2 -","- C144 H120 As8 N16 O56 S8 Zn8 -","4","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.03","0.0269","","","0.0642","0.066","","","","","","1.059","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205337","8.003","0.003","11.771","0.004","21.224","0.009","81.526","0.009","81.531","0.009","75.679","0.01","1903.2","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H56 As4 Cd4 N8 O26 S4 -","- C72 H56 As4 Cd4 N8 O26 S4 -","- C72 H56 As4 Cd4 N8 O26 S4 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1098","0.0645","","","0.1334","0.1533","","","","","","0.88","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205338","8.631","0.007","11.609","0.007","11.754","0.007","60.83","0.03","73.29","0.04","75.08","0.04","975.2","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 As2 Cd2 N4 O14 S2 -","- C36 H30 As2 Cd2 N4 O14 S2 -","- C36 H30 As2 Cd2 N4 O14 S2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0988","0.0787","","","0.1591","0.1742","","","","","","0.923","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205339","8.393","0.002","9.906","0.003","13.577","0.004","88.783","0.009","74.243","0.006","75.784","0.008","1051.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 As2 N6 O12 S2 Zn2 -","- C42 H32 As2 N6 O12 S2 Zn2 -","- C42 H32 As2 N6 O12 S2 Zn2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0579","0.0389","","","0.0801","0.0885","","","","","","1.033","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205340","8.43","0.003","11.21","0.004","13.47","0.005","91.35","0.002","107.89","0.005","111.45","0.004","1114.1","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 As2 Cd2 N6 O14 S2 -","- C42 H36 As2 Cd2 N6 O14 S2 -","- C42 H36 As2 Cd2 N6 O14 S2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0273","0.0226","","","0.0584","0.0602","","","","","","1.061","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205341","14.0169","0.0011","8.0918","0.0005","15.4783","0.0014","90","","93.599","0.006","90","","1752.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 As N2 O6 S Zn -","- C16 H13 As N2 O6 S Zn -","- C64 H52 As4 N8 O24 S4 Zn4 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0399","0.0324","","","0.0727","0.0766","","","","","","1.065","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205342","17.88","0.003","10.4331","0.0017","21.17","0.003","90","","90","","90","","3949.1","1.1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H17 As N2 O8 S Zn -","- C16 H17 As N2 O8 S Zn -","- C128 H136 As8 N16 O64 S8 Zn8 -","8","2","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0376","0.033","","","0.0586","0.0609","","","","","","1.044","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205343","12.648","0.006","8.181","0.004","37.325","0.017","90","","94.225","0.007","90","","3852","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 As N2 O7 S Zn -","- C18 H15 As N2 O7 S Zn -","- C144 H120 As8 N16 O56 S8 Zn8 -","8","2","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1046","0.0692","","","0.1291","0.1497","","","","","","0.903","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205344","17.8507","0.0007","21.4219","0.0007","9.0526","0.0005","90","","108.98","0.02","90","","3273.5","0.5","120","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H32 N2 P2 Pt -","- C40 H32 N2 P2 Pt -","- C160 H128 N8 P8 Pt4 -","4","1","","Li, Xing; Zha, Mei-Qin; Gao, Shui-Ying; Low, Paul J.; Wu, Yuan-Zhao; Gan, Ning; Cao, Rong","Synthesis, photoluminescence, catalysis and multilayer film assembly of an ethynylpyridine platinum compound","CrystEngComm","2011","13","3","920","","10.1039/c0ce00382d","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205345","11.29","0.003","12.609","0.004","10.281","0.003","90","","107.231","0.006","90","","1397.9","0.7","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H34 Co N4 O8 -","- C25 H34 Co N4 O8 -","- C50 H68 Co2 N8 O16 -","2","1","","Xu, Bo; Lin, Zujin; Han, Liwei; Cao, Rong","From 2D →3D inclined polycatenation to 2D →3D parallel polycatenation: a central metal cationic induce strategy","CrystEngComm","2011","13","2","440","","10.1039/c0ce00387e","","","0.71073","MoKα","","0.0575","0.0415","","","0.1058","0.1337","","","","","","1.1","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205346","18.105","0.006","15.467","0.005","10.115","0.003","90","","97.76","0.005","90","","2806.6","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 N4 O8 Zn -","- C25 H35 N4 O8 Zn -","- C100 H140 N16 O32 Zn4 -","4","0.5","","Xu, Bo; Lin, Zujin; Han, Liwei; Cao, Rong","From 2D →3D inclined polycatenation to 2D →3D parallel polycatenation: a central metal cationic induce strategy","CrystEngComm","2011","13","2","440","","10.1039/c0ce00387e","","","0.71073","MoKα","","0.0528","0.0453","","","0.1339","0.1484","","","","","","1.098","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205347","7.119","0.002","12.53","0.003","41.52","0.005","90","","90","","90","","3703.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","","- C34 H51 N5 O17 -","- C34 H51 N5 O17 -","- C136 H204 N20 O68 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.1033","0.0621","","","0.1289","0.1462","","","","","","1.023","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205348","7.979","0.002","19.404","0.003","22.853","0.004","90","","90","","90","","3538.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","","- C36 H46.45 N5 O12.73 -","- C36 H46.454 N5 O12.727 -","- C144 H185.816 N20 O50.908 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0655","0.0462","","","0.0921","0.097","","","","","","1.078","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205349","7.605","0.002","21.238","0.005","23.666","0.005","90","","90","","90","","3822.4","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","","- C37 H49 N5 O13 -","- C37 H49 N5 O13 -","- C148 H196 N20 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0845","0.0711","","","0.154","0.1599","","","","","","1.197","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205350","9.406","0.0019","9.986","0.002","74.231","0.015","88.87","0.03","89.52","0.03","90.14","0.03","6971","2","300","2","300","2","","","","","","","","6","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- C46 H36 Br4 Cl2 Co S32 -","- C46 H36 Br4 Cl2 Co S32 -","- C184 H144 Br16 Cl8 Co4 S128 -","4","","","Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2)","CrystEngComm","2011","13","5","1467","","10.1039/c0ce00409j","","","0.71073","MoKα","","0.3225","0.0731","","","0.1519","0.1723","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205351","9.742","0.0014","9.742","0.0014","74.419","0.015","90","","90","","90","","7063","2","343","2","343","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_ tetrabromocobaltate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Co S32 -","- C46 H36 Br4 Cl2 Co S32 -","- C184 H144 Br16 Cl8 Co4 S128 -","4","0.25","","Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2)","CrystEngComm","2011","13","5","1467","","10.1039/c0ce00409j","","","0.71073","MoKα","","0.2886","0.0546","","","0.0846","0.0978","","","","","","0.975","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205352","9.1131","0.0018","25.5","0.005","14.645","0.003","90","","98.376","0.002","90","","3367","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3-Hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2- methoxy-4-oxocyclobut-2-enylidenemethyl)benzoselenazol-3-ium trifluoromethanesulfonate","3-Hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2-methoxy-4- oxocyclobut-2-enylidenemethyl]benzoselenazol-3-ium trifluoromethanesulfonate","","- C34 H39 F3 N2 O5 S Se2 -","- C34 H39 F3 N2 O5 S Se2 -","- C136 H156 F12 N8 O20 S4 Se8 -","4","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.7848","synchrotron","","0.1123","0.0612","","","0.1412","0.1683","","","","","","0.955","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205353","11.0233","0.0011","9.7399","0.0009","13.1575","0.0013","90","","98.227","0.005","90","","1398.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-((3-hexylbenzoselenazol-3-ium-2-yl)methylidene)-2-((3-hexyl- 3H-benzoselenazol-2-ylidene)methyl)-3-oxocyclobut-1-en-1-olate","4-[(3-hexylbenzoselenazol-3-ium-2-yl)methylidene]-2-[(3-hexyl-3H- benzoselenazol-2-ylidene)methyl]-3-oxocyclobut-1-en-1-olate","","- C32 H36 N2 O2 Se2 -","- C32 H36 N2 O2 Se2 -","- C64 H72 N4 O4 Se4 -","2","0.5","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.1378","0.094","","","0.1974","0.2171","","","","","","1.159","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205354","12.8136","0.0003","13.1269","0.0004","13.1817","0.0004","109.022","0.001","98.479","0.002","116.888","0.001","1751.49","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","3-Hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2- methylamino-4-oxocyclobut-2-enylidenemethyl)benzoselenazol-3-ium trifluoromethanesulfonate hydrate","3-Hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2-methylamino-4- oxocyclobut-2-enylidenemethyl]benzoselenazol-3-ium trifluoromethanesulfonate hydrate","","- C34 H42 F3 N3 O5 S Se2 -","- C34 H42 F3 N3 O5 S Se2 -","- C68 H84 F6 N6 O10 S2 Se4 -","2","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.074","0.0524","","","0.0998","0.1124","","","","","","1.063","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205355","23.4215","0.0009","13.4127","0.0003","25.2899","0.0009","90","","112.482","0.001","90","","7340.9","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-(2-Diethylamino-3-hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2- ylidenemethyl)-4-oxocyclobut-2-enylidenemethyl)-3-hexylbenzoselenazol-3- ium trifluoromethanesulfonate","2-[2-Diethylamino-3-hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-4- oxocyclobut-2-enylidenemethyl]-3-hexylbenzoselenazol-3-ium trifluoromethanesulfonate","","- C37 H46 F3 N3 O4 S Se2 -","- C37 H46 F3 N3 O4 S Se2 -","- C296 H368 F24 N24 O32 S8 Se16 -","8","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.0955","0.0501","","","0.096","0.1127","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205356","18.5317","0.0008","16.6605","0.0006","22.9353","0.0007","90","","94.289","0.003","90","","7061.4","0.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cd N2 O6 S -","- C24 H16 Cd N2 O6 S -","- C192 H128 Cd8 N16 O48 S8 -","8","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","1.54184","CuKα","","0.0587","0.0459","","","0.1147","0.1175","","","","","","1.004","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205357","13.961","0.0007","22.649","0.002","19.601","0.003","90","","101.374","0.009","90","","6076.2","1.1","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 N2 O12 S2 Zn2 -","- C38 H20 N2 O12 S2 Zn2 -","- C152 H80 N8 O48 S8 Zn8 -","4","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","1.54184","CuKα","","0.1325","0.0661","","","0.1138","0.1187","","","","","","0.979","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205358","10.1389","0.0007","22.0518","0.0012","14.1837","0.0009","90","","90","","90","","3171.2","0.3","180","2","180","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C24 H20 N4 O6 S Zn -","- C24 H20 N4 O6 S Zn -","- C96 H80 N16 O24 S4 Zn4 -","4","0.5","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","0.71073","MoKα","","0.0755","0.0523","","","0.1463","0.1522","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205359","7.2086","0.0004","12.3243","0.0007","13.8591","0.0009","110.122","0.005","97.975","0.005","92.728","0.004","1138.89","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Co N2 O6 S -","- C24 H14 Co N2 O6 S -","- C48 H28 Co2 N4 O12 S2 -","2","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","0.71073","MoKα","","0.0566","0.0405","","","0.0875","0.0906","","","","","","0.996","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205360","9.799","0.002","11.272","0.003","15.935","0.004","70.517","0.004","84.668","0.004","71.046","0.004","1569.1","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 La N O10 -","- C32 H29 La N O10 -","- C64 H58 La2 N2 O20 -","2","1","","Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol","Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit","CrystEngComm","2011","13","5","1277","","10.1039/c0ce00426j","","","0.71073","MoKα","","0.0895","0.0726","","","0.1882","0.1954","","","","","","1.06","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205361","9.7792","0.0013","11.3331","0.0014","15.924","0.002","71.042","0.002","85.29","0.002","70.907","0.002","1576.7","0.3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","1","1","","Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol","Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit","CrystEngComm","2011","13","5","1277","","10.1039/c0ce00426j","","","0.71073","MoKα","","0.0445","0.0401","","","0.1021","0.1054","","","","","","1.041","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205362","13.3271","0.0008","10.2322","0.0006","8.0646","0.0005","90","","90","","90","","1099.73","0.11","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 Cd N6 S2 -","- C6 H8 Cd N6 S2 -","- C24 H32 Cd4 N24 S8 -","4","0.5","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0165","0.0156","","","0.042","0.0426","","","","","","1.038","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205363","11.5428","0.0009","6.9491","0.0005","10.38","0.0008","90","","116.321","0.001","90","","746.28","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Br Cd N3 S -","- C3 H4 Br Cd N3 S -","- C12 H16 Br4 Cd4 N12 S4 -","4","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0266","0.0231","","","0.0595","0.061","","","","","","1.012","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205364","6.9989","0.0008","10.3114","0.0012","12.9438","0.0012","90","","118.441","0.005","90","","821.39","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Cd I N3 S -","- C3 H4 Cd I N3 S -","- C12 H16 Cd4 I4 N12 S4 -","4","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0265","0.0232","","","0.061","0.0626","","","","","","1.083","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205365","10.8254","0.0005","7.8337","0.0003","17.8083","0.0008","90","","90","","90","","1510.2","0.11","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Br Cd N3 S -","- C3 H4 Br Cd N3 S -","- C24 H32 Br8 Cd8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0261","0.0217","","","0.0522","0.054","","","","","","1.046","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205366","10.813","0.002","7.6106","0.0016","17.77","0.004","90","","90","","90","","1462.4","0.5","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Cd Cl N3 S -","- C3 H4 Cd Cl N3 S -","- C24 H32 Cd8 Cl8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0269","0.0214","","","0.0492","0.0519","","","","","","1.005","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205367","6.8059","0.0004","9.6914","0.0005","9.7577","0.0005","90.57","0.001","109.664","0.001","94.798","0.001","603.45","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cd3 N12 O2 S4 -","- C12 H18 Cd3 N12 O2 S4 -","- C12 H18 Cd3 N12 O2 S4 -","1","0.5","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0206","0.0193","","","0.0509","0.0516","","","","","","1.023","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205368","16.783","0.002","7.5603","0.0011","12.1864","0.0017","90","","100.689","0.008","90","","1519.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-ferrocenyl-6-methoxy-benzo(b)thiophene","","","- C19 H16 Fe O S -","- C19 H16 Fe O S -","- C76 H64 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Ferreira, André P.; Marques, M. Matilde; Harjivan, Shrika G.; M. da Piedade, M. Fátima; Duarte, M. Teresa","Effect of C‒H…X interactions (X = O, S, π) in the supramolecular arrangements of 3-ferrocenyl-methoxybenzo[b]thiophene isomers","CrystEngComm","2011","13","5","1638","","10.1039/c0ce00434k","","","0.71073","MoKα","","0.0565","0.0363","","","0.085","0.0942","","","","","","1.012","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205369","7.549","0.001","9.734","0.0013","11.35","0.0016","96.452","0.008","103.358","0.007","110.027","0.007","745.47","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","3-ferrocenyl-4-methoxybenzo(b)thiophene","","","- C19 H16 Fe O S -","- C19 H16 Fe O S -","- C38 H32 Fe2 O2 S2 -","2","2","","Ferreira da Silva, J. L.; Ferreira, André P.; Marques, M. Matilde; Harjivan, Shrika G.; M. da Piedade, M. Fátima; Duarte, M. Teresa","Effect of C‒H…X interactions (X = O, S, π) in the supramolecular arrangements of 3-ferrocenyl-methoxybenzo[b]thiophene isomers","CrystEngComm","2011","13","5","1638","","10.1039/c0ce00434k","","","0.71073","MoKα","","0.036","0.0333","","","0.0782","0.0903","","","","","","1.072","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205370","12.6961","0.0017","6.0031","0.0008","24.66","0.003","90","","102.74","0.002","90","","1833.2","0.4","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Shiota, Naoki; Okuno, Takahiro; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state fluorescence host complex formed by assembly of two-dimensional layered network structure composed of 2,6-naphthalenedicarboxylic acid and 2-naphthylethylamine","CrystEngComm","2011","13","5","1683","","10.1039/c0ce00446d","","","0.71073","MoKα","","0.1327","0.0985","","","0.2326","0.251","","","","","","1.096","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205371","12.6246","0.0013","6.0584","0.0006","21.936","0.002","90","","96.467","0.002","90","","1667.1","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Shiota, Naoki; Okuno, Takahiro; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state fluorescence host complex formed by assembly of two-dimensional layered network structure composed of 2,6-naphthalenedicarboxylic acid and 2-naphthylethylamine","CrystEngComm","2011","13","5","1683","","10.1039/c0ce00446d","","","0.71073","MoKα","","0.076","0.0644","","","0.1902","0.1982","","","","","","1.038","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205372","7.6688","0.0003","15.188","0.0006","11.8332","0.0005","90","","101.347","0.0011","90","","1351.32","0.09","290","1","290","1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(4-(dimethylamino)styryl)-1-(2,5-dimethylbenzyl)pyridinium 4-methylbenzenesulfonate","","- C31 H34 N2 O3 S -","- C31 H34 N2 O3 S -","- C62 H68 N4 O6 S2 -","2","1","","Kim, Pil-Joo; Jeong, Jae-Hyeok; Jazbinsek, Mojca; Kwon, Seong-Ji; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Baek, In-Hyung; Rotermund, Fabian; Günter, Peter; Kwon, O-Pil","Acentric nonlinear optical N-benzyl stilbazolium crystals with high environmental stability and enhanced molecular nonlinearity in solid state","CrystEngComm","2011","13","2","444","","10.1039/c0ce00456a","","","0.71073","MoKα","","0.0501","0.0337","","","0.0823","0.0969","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205373","30.632","0.0013","13.6735","0.0015","14.9266","0.0016","90","","95.758","0.002","90","","6220.4","1","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Co N4 O6 S -","- C27 H24 Co N4 O6 S -","- C216 H192 Co8 N32 O48 S8 -","8","1","","Sun, Hailong; Mei, Haibo; An, Guanghui; Han, Jianlin; Pan, Yi","Hydrogen-bonding self-assembly of two dimensional (2D) layer structures generating metal‒organic nanotubes","CrystEngComm","2011","13","3","734","","10.1039/c0ce00471e","","","0.71073","MoKα","","0.0801","0.0536","","","0.105","0.1096","","","","","","0.999","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205374","31.561","0.003","11.4596","0.001","14.619","0.0013","90","","96.115","0.001","90","","5257.3","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Co N4 O5 S -","- C25 H20 Co N4 O5 S -","- C200 H160 Co8 N32 O40 S8 -","8","1","","Sun, Hailong; Mei, Haibo; An, Guanghui; Han, Jianlin; Pan, Yi","Hydrogen-bonding self-assembly of two dimensional (2D) layer structures generating metal‒organic nanotubes","CrystEngComm","2011","13","3","734","","10.1039/c0ce00471e","","","0.71073","MoKα","","0.0726","0.0496","","","0.0897","0.093","","","","","","0.988","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205375","19.3767","0.0003","23.1849","0.0007","13.7787","0.0003","90","","126.742","0.0013","90","","4960.3","0.2","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 N6 O13 -","- C53 H54 N6 O13 -","- C212 H216 N24 O52 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.1289","0.0742","","","0.14","0.1599","","","","","","1.036","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205376","7.9466","0.0002","8.6064","0.0002","14.9515","0.0004","79.1115","0.0011","76.3526","0.001","62.5022","0.001","877.63","0.04","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O11 -","- C18 H16 O11 -","- C36 H32 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0841","0.0519","","","0.125","0.1418","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205377","8.8934","0.0002","8.9328","0.0002","12.6735","0.0003","81.2596","0.0011","69.6581","0.0011","60.9613","0.001","825.19","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 La O11 -","- C17 H11 La O11 -","- C34 H22 La2 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0433","0.0356","","","0.0841","0.0883","","","","","","1.059","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205378","8.8277","0.0001","8.8751","0.0002","12.6582","0.0003","81.0037","0.0008","69.8251","0.0009","61.2379","0.0018","815.98","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 Nd O11 -","- C17 H11 Nd O11 -","- C34 H22 Nd2 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0418","0.035","","","0.0817","0.0851","","","","","","1.064","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205379","9.9205","0.0002","10.6776","0.0003","11.7567","0.0004","96.6635","0.0012","108.338","0.0013","106.837","0.0015","1101.63","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 O17 Sm -","- C17 H23 O17 Sm -","- C34 H46 O34 Sm2 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0319","0.0285","","","0.0644","0.066","","","","","","1.037","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205380","14.8023","0.0006","20.1819","0.0006","7.1981","0.0002","90","","103.297","0.0014","90","","2092.7","0.12","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Dy O15 -","- C17 H19 Dy O15 -","- C68 H76 Dy4 O60 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0684","0.052","","","0.0955","0.1006","","","","","","1.157","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205381","14.8422","0.0003","20.2605","0.0003","7.2273","0.0001","90","","103.63","0.0005","90","","2112.12","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Eu O15 -","- C17 H19 Eu O15 -","- C68 H76 Eu4 O60 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0458","0.0329","","","0.0858","0.0953","","","","","","0.913","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205382","8.5147","0.0002","10.2584","0.0002","12.454","0.0005","68.4154","0.001","89.3378","0.0011","72.78","0.002","960.38","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 La O14 -","- C18 H19 La O14 -","- C36 H38 La2 O28 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0495","0.0376","","","0.0837","0.0899","","","","","","0.928","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205383","8.5679","0.0003","9.9939","0.0003","12.5472","0.0005","91.596","0.0015","94.8827","0.0014","93.4052","0.0016","1068","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 Nd2 O31 -","- C36 H38 Nd2 O31 -","- C36 H38 Nd2 O31 -","1","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0635","0.0484","","","0.1215","0.1294","","","","","","1.016","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205384","8.5589","0.0002","9.9686","0.0003","12.524","0.0004","91.3986","0.0013","94.9577","0.0012","93.4852","0.0011","1062.11","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 O31 Sm2 -","- C36 H38 O31 Sm2 -","- C36 H38 O31 Sm2 -","1","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0533","0.0402","","","0.1016","0.1097","","","","","","0.904","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205385","8.0901","0.0003","10.1509","0.0004","14.6134","0.0007","82.8401","0.0018","88.141","0.002","66.521","0.003","1091.94","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 Ce O13 -","- C18 H17 Ce O13 -","- C36 H34 Ce2 O26 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0577","0.0426","","","0.0887","0.0931","","","","","","1.001","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205386","9.6328","0.0008","23.4438","0.0019","6.8997","0.0006","90","","98.826","0.001","90","","1539.7","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cu3 N5 -","- C15 H8 Cu3 N5 -","- C60 H32 Cu12 N20 -","4","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0569","0.035","","","0.0822","0.0899","","","","","","1.037","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205387","8.5451","0.0003","11.6761","0.0004","12.5593","0.0005","90","","100.911","0.001","90","","1230.43","0.08","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu2 N4 -","- C12 H8 Cu2 N4 -","- C48 H32 Cu8 N16 -","4","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0346","0.0292","","","0.0805","0.084","","","","","","1.019","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205388","7.429","0.0003","14.1167","0.0006","16.1356","0.0007","68.734","0.001","80.866","0.001","81.606","0.001","1549.76","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 Cu4 N8 -","- C30 H28 Cu4 N8 -","- C60 H56 Cu8 N16 -","2","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0653","0.0375","","","0.0891","0.1008","","","","","","1.019","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205389","7.2594","0.0012","9.3403","0.0016","11.835","0.002","71.216","0.002","76.045","0.002","70.261","0.002","707.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C20 H30 N18 Zn2 -","2","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0344","0.0295","","","0.0709","0.0734","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205390","8.395","0.0012","9.5035","0.0013","10.2058","0.0014","71.53","0.002","84.594","0.002","72.106","0.002","734.93","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C20 H30 N18 Zn2 -","2","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0526","0.0396","","","0.0915","0.0985","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205391","9.8594","0.0017","11.0993","0.0018","13.426","0.002","90","","93.789","0.002","90","","1466","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C40 H60 N36 Zn4 -","4","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0635","0.049","","","0.1268","0.1393","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205392","11.5834","0.0005","12.1886","0.0006","12.8749","0.0006","68.52","0.004","69.688","0.004","71.439","0.004","1547.77","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H49 Fe2 Mn2 N8 O8.5 -","- C72 H49 Fe2 Mn2 N8 O8.5 -","- C72 H49 Fe2 Mn2 N8 O8.5 -","1","0.5","","Li, Bo; Zhang, Jingping; Zhang, Yan; Cui, Shuxin; Li, Wenliang; Wang, Yu; Zhang, Xiaoying","Two unique 8-quinolinato (q) based one dimensional complexes [FeIIMnII(q)4·(H2O)0.25]n and [MnII(q)2]n: synthesis, structures, and magnetism","CrystEngComm","2011","13","2","418","","10.1039/c0ce00488j","","","0.71073","MoKα","","0.1104","0.0572","","","0.1287","0.1484","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205393","29.9029","0.0008","29.9029","0.0008","6.6248","0.0003","90","","90","","90","","5923.8","0.3","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C18 H12 Mn N2 O2 -","- C18 H12 Mn N2 O2 -","- C288 H192 Mn16 N32 O32 -","16","1","","Li, Bo; Zhang, Jingping; Zhang, Yan; Cui, Shuxin; Li, Wenliang; Wang, Yu; Zhang, Xiaoying","Two unique 8-quinolinato (q) based one dimensional complexes [FeIIMnII(q)4·(H2O)0.25]n and [MnII(q)2]n: synthesis, structures, and magnetism","CrystEngComm","2011","13","2","418","","10.1039/c0ce00488j","","","0.71073","MoKα","","0.0956","0.0363","","","0.0381","0.0416","","","","","","0.838","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205394","15.678","0.003","9.197","0.0019","9.414","0.002","90","","90","","90","","1357.4","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H6 Co O8 -","- C16 H6 Co O8 -","- C64 H24 Co4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0447","0.0339","","","0.0807","0.0841","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205395","15.764","0.003","9.1079","0.0015","9.7436","0.0015","90","","90","","90","","1399","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Mn O8 -","- C16 H8 Mn O8 -","- C64 H32 Mn4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0812","0.0547","","","0.0961","0.1048","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205396","10.642","0.002","10.768","0.002","14.943","0.003","90","","91.763","0.002","90","","1711.6","0.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H13 Cd N2 O5 -","- C20 H13 Cd N2 O5 -","- C80 H52 Cd4 N8 O20 -","4","1","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0385","0.0311","","","0.0601","0.0618","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205397","14.432","0.005","22.089","0.008","11.142","0.004","90","","90.807","0.006","90","","3552","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 Eu2 N2 O14 -","- C30 H23 Cl3 Eu2 N2 O14 -","- C120 H92 Cl12 Eu8 N8 O56 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0733","0.0683","","","0.2067","0.2122","","","","","","1.171","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205398","14.367","0.004","22.032","0.006","11.119","0.003","90","","90.843","0.005","90","","3519.2","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 N2 Nd2 O14 -","- C30 H23 Cl3 N2 Nd2 O14 -","- C120 H92 Cl12 N8 Nd8 O56 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0474","0.0447","","","0.1184","0.1205","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205399","14.24","0.0014","21.831","0.002","11.0019","0.0011","90","","91.119","0.002","90","","3419.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 N2 O14 Pr2 -","- C30 H23 Cl3 N2 O14 Pr2 -","- C120 H92 Cl12 N8 O56 Pr8 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0464","0.0444","","","0.1252","0.1271","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205400","11.552","0.001","8.0069","0.0007","5.8733","0.0004","90","","90","","90","","543.26","0.08","220","0.1","220","0.1","100","","100","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0432","0.0329","","","0.0837","0.0866","","","","","","0.999","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205401","11.266","0.002","7.748","0.008","5.7183","0.0012","90","","90","","90","","499.1","0.5","295","2","295","2","750000","","750000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0628","0.0586","","","0.113","0.1141","","","","","","1.256","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205402","11.0912","0.0019","7.588","0.007","5.6253","0.001","90","","90","","90","","473.4","0.5","295","2","295","2","1150000","","1150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0516","0.0475","","","0.1314","0.1386","","","","","","1.223","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205403","10.914","0.002","7.414","0.006","5.535","0.001","90","","90","","90","","447.9","0.4","295","2","295","2","2150000","","2150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0595","0.0576","","","0.1222","0.1248","","","","","","1.136","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205404","7.161","0.002","22.009","0.004","10.675","0.003","90","","102.56","0.03","90","","1642.2","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 Cu2 N4 O15 -","- C28 H36 Cu2 N4 O15 -","- C56 H72 Cu4 N8 O30 -","2","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0646","0.0387","","","0.0844","0.0926","","","","","","0.894","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205405","6.7063","0.0002","15.3526","0.0004","20.2188","0.0005","90","","90","","90","","2081.71","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cu N2 O12 -","- C16 H24 Cu N2 O12 -","- C64 H96 Cu4 N8 O48 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0627","0.0622","","","0.155","0.1554","","","","","","1.25","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205406","9.3953","0.0001","7.3422","0.0001","13.9495","0.0002","90","","90","","90","","962.27","0.02","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0295","0.0281","","","0.0724","0.0746","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205407","17.0525","0.0006","8.4867","0.0003","22.6931","0.0008","90","","111.708","0.002","90","","3051.23","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cu2 N4 O14 S2 -","- C25 H28 Cu2 N4 O14 S2 -","- C100 H112 Cu8 N16 O56 S8 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0612","0.0597","","","0.1615","0.163","","","","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205408","13.661","0.003","16.064","0.003","15.037","0.003","90","","108.25","0.03","90","","3133.9","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Cl4 Cu4 N17 O0 -","- C48 H67 Cl4 Cu4 N17 -","- C96 H134 Cl8 Cu8 N34 -","2","0.25","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.1171","0.0679","","","0.172","0.2011","","","","","","1.01","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205409","14.01","0.003","16.294","0.003","14.793","0.003","90","","106.91","0.03","90","","3230.9","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Br4 Cu4 N17 O0 -","- C48 H67 Br4 Cu4 N17 -","- C96 H134 Br8 Cu8 N34 -","2","0.25","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0667","0.0412","","","0.1202","0.1308","","","","","","1.099","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205410","11.399","0.002","18.994","0.004","14.784","0.003","90","","94.84","0.03","90","","3189.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H3 Cu2 I2 N9 O0 -","- C25 H3 Cu2 I2 N9 -","- C100 H12 Cu8 I8 N36 -","4","1","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0687","0.0501","","","0.1292","0.1426","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205411","18.747","0.004","8.055","0.0016","20.321","0.004","90","","108.67","0.03","90","","2907.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cu2 N10 S2 -","- C25 H32 Cu2 N10 S2 -","- C100 H128 Cu8 N40 S8 -","4","1","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0566","0.045","","","0.1096","0.117","","","","","","1.043","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205412","11.738","0.002","7.8457","0.0016","15.623","0.003","90","","97.05","0.03","90","","1427.9","0.5","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H32 Cu3 N12 -","- C25 H32 Cu3 N12 -","- C50 H64 Cu6 N24 -","2","0.5","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0456","0.0372","","","0.1047","0.1108","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205413","21.2366","0.0019","16.6665","0.0019","20.151","0.002","90","","105.735","0.002","90","","6865","1.2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H116 Cu4 Ge2 Mo3.5 N12 O106 W20.5 -","- C36 Cu4 Ge2 Mo3.48 N12 O104 W20.52 -","- C72 Cu8 Ge4 Mo6.96 N24 O208 W41.04 -","2","0.25","","Wang, Yuchao; Xu, Lin; Jiang, Ning; Zhao, Lili; Li, Fengyan; Liu, Xizheng","Multidimensional frameworks constructed from Keggin-type heteropoly blue of molybdenum‒tungsten cluster","CrystEngComm","2011","13","2","410","","10.1039/c0ce00514b","","","0.71073","MoKα","","0.1023","0.0876","","","0.18","0.1864","","","","","","1.078","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205414","12.5854","0.001","12.7542","0.001","21.544","0.0017","78.741","0.001","75.222","0.001","61.183","0.001","2919","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H88 Cu Ge2 K6 Mo4 N12 O92 W20 -","- C36 H84 Cu Ge2 K6 Mo3.868 N12 O92 W20.132 -","- C36 H84 Cu Ge2 K6 Mo3.868 N12 O92 W20.132 -","1","0.5","","Wang, Yuchao; Xu, Lin; Jiang, Ning; Zhao, Lili; Li, Fengyan; Liu, Xizheng","Multidimensional frameworks constructed from Keggin-type heteropoly blue of molybdenum‒tungsten cluster","CrystEngComm","2011","13","2","410","","10.1039/c0ce00514b","","","0.71073","MoKα","","0.0693","0.0445","","","0.0983","0.1104","","","","","","1","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205415","20.4711","0.0017","20.4711","0.0017","9.5827","0.0014","90","","90","","120","","3477.8","0.7","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C162 H198 N6 O18 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0748","0.0547","","","0.122","0.1295","","","","","","1.043","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205416","12.5863","0.0001","12.5863","0.0001","28.7108","0.0005","90","","90","","120","","3938.87","0.08","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C162 H204 Cl6 N6 O42 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0449","0.0326","","","0.0848","0.0906","","","","","","0.956","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205417","10.5293","0.0002","10.721","0.0001","13.2388","0.0002","98.567","0.0012","109.224","0.001","97.028","0.0011","1371.67","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C54 H68 Cl2 N2 O14 -","2","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0914","0.0795","","","0.1937","0.2108","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205418","13.5714","0.0002","14.9166","0.0002","15.3649","0.0003","93.257","0.0011","96.049","0.001","116.25","0.0011","2755.44","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C108 H136 Cl4 N4 O28 -","4","2","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0938","0.0654","","","0.199","0.232","","","","","","1.065","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205419","43.2178","0.0012","7.605","0.0002","17.6312","0.0004","90","","105.385","0.003","90","","5587.2","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Br N O5 -","- C27 H38 Br N O5 -","- C216 H304 Br8 N8 O40 -","8","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.1051","0.0352","","","0.0861","0.1094","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205420","10.0888","0.0003","12.3654","0.0004","13.7716","0.0004","81.26","0.002","76.965","0.002","83.641","0.001","1649.1","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O10 -","- C33 H36 N4 O10 -","- C66 H72 N8 O20 -","2","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0958","0.0529","","","0.1454","0.1646","","","","","","0.924","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205421","9.89","0.002","28.388","0.006","11.602","0.003","90","","92.896","0.009","90","","3253.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N4 O10 -","- C33 H36 N4 O10 -","- C132 H144 N16 O40 -","4","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.176","0.0551","","","0.1256","0.1537","","","","","","0.98","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205422","13.4682","0.0013","13.6433","0.0013","20.291","0.002","90","","104.935","0.003","90","","3602.5","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O11 -","- C37 H39 N O11 -","- C148 H156 N4 O44 -","4","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0982","0.0615","","","0.1328","0.1611","","","","","","0.937","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205423","7.5092","0.0016","10.629","0.002","13.198","0.003","93.501","0.004","98.322","0.003","108.989","0.004","979","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Cd N4 O7 -","- C21 H14 Cd N4 O7 -","- C42 H28 Cd2 N8 O14 -","2","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0292","0.0282","","","0.0724","0.073","","","","","","1.09","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205424","9.22","0.0018","18.831","0.004","10.75","0.002","90","","104.087","0.002","90","","1810.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cd2 N8 O13 -","- C34 H22 Cd2 N8 O13 -","- C68 H44 Cd4 N16 O26 -","2","0.5","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0362","0.0299","","","0.0773","0.0794","","","","","","1.181","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205425","6.059","0.004","17.373","0.012","14.478","0.01","90","","90","0.001","90","","1524","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd N4 O4 -","- C17 H11 Cd N4 O4 -","- C68 H44 Cd4 N16 O16 -","4","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0374","0.0334","","","0.0767","0.0787","","","","","","1.015","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205426","8.254","0.003","9.984","0.005","13.965","0.005","78.013","0.013","87.68","0.04","69.43","0.02","1053.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cd3 N8 O16 -","- C42 H26 Cd3 N8 O16 -","- C42 H26 Cd3 N8 O16 -","1","0.5","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0376","0.0332","","","0.0893","0.0926","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205427","10.5555","0.0007","10.755","0.001","10.9889","0.0008","70.527","0.01","81.613","0.002","85.343","0.001","1162.86","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd2 N4 O10 -","- C22 H16 Cd2 N4 O10 -","- C44 H32 Cd4 N8 O20 -","2","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0309","0.027","","","0.0687","0.0706","","","","","","0.999","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205428","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.0508","0.0397","","","0.105","0.1128","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205429","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","neutron","0.7","Neutron","","0.0416","0.0318","","","0.0586","0.0619","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205430","14.2326","0.0014","4.0156","0.0005","13.8877","0.0012","90","","98.5","0.009","90","","785","0.14","150","1","150","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","But-2-yne-1,4-diyl bis(4-fluorophenylcarbonate)","","- C18 H12 F2 O6 -","- C18 H12 F2 O6 -","- C36 H24 F4 O12 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.0477","0.0343","","","0.0864","0.0899","","","","","","1.053","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205431","6.8592","0.0005","4.8508","0.0003","27.201","0.002","90","","102.247","0.006","90","","884.45","0.11","150","1","150","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbamate)","","- C18 H6 F10 N2 O4 -","- C18 H6 F10 N2 O4 -","- C36 H12 F20 N4 O8 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.054","0.0344","","","0.0805","0.0842","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205432","5.8951","0.0009","10.1943","0.0016","17.245","0.002","90","","108.115","0.005","90","","985","0.2","150","1","150","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Hexa-2,4-diyne-1,6-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","Hexa-2,4-diyne-1,6-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C20 H4 F10 O6 -","- C20 H4 F10 O6 -","- C40 H8 F20 O12 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.067","0.0502","","","0.114","0.12","","","","","","1.152","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205433","6.6399","0.0013","9.959","0.002","14.116","0.003","79.8","0.03","87.28","0.03","84.3","0.03","913.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Ag N4 O4 -","- C20 H13 Ag N4 O4 -","- C40 H26 Ag2 N8 O8 -","2","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0264","0.0245","","","0.0601","0.0613","","","","","","1.057","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205434","7.8033","0.0016","12.222","0.002","14.569","0.003","108.39","0.03","99.67","0.03","95.65","0.03","1282.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 Ag4 N8 O16 -","- C56 H36 Ag4 N8 O16 -","- C56 H36 Ag4 N8 O16 -","1","0.5","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.1087","0.0885","","","0.2239","0.2584","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205435","33.834","0.007","6.0198","0.0012","14.566","0.003","90","","109.49","0.03","90","","2796.7","1.1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H18 Ag4 N4 O9 -","- C28 H18 Ag4 N4 O9 -","- C112 H72 Ag16 N16 O36 -","4","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0179","0.0173","","","0.0408","0.0424","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205436","9.906","0.002","11.06","0.002","11.52","0.002","69.44","0.03","70.84","0.03","87.16","0.03","1113.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Ag2 N4 O9 -","- C20 H22 Ag2 N4 O9 -","- C40 H44 Ag4 N8 O18 -","2","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0451","0.0388","","","0.1033","0.1072","","","","","","1.094","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205437","5.113","0.005","15.131","0.005","15.413","0.005","108.414","0.005","94.125","0.005","96.846","0.005","1115.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 F6 N8 O8 S2 -","- C46 H36 F6 N8 O8 S2 -","- C46 H36 F6 N8 O8 S2 -","1","0.5","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","0.71073","MoKα","","0.1998","0.107","","","0.2886","0.339","","","","","","0.979","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205438","4.8813","0.0011","10.601","0.002","18.823","0.004","96.91","0.004","91.332","0.004","98.65","0.004","955.1","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F3 N4 O3 S -","- C20 H15 F3 N4 O3 S -","- C40 H30 F6 N8 O6 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","0.71073","MoKα","","0.0651","0.0484","","","0.1159","0.1261","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205439","4.6294","0.0001","11.297","0.0003","24.1522","0.0007","89.9","0.002","86.295","0.001","81.042","0.002","1245.06","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F3 N4 O6 S -","- C25 H21 F3 N4 O6 S -","- C50 H42 F6 N8 O12 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","1.54178","CuKα","","0.0748","0.0585","","","0.1162","0.1256","","","","","","1.046","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205440","10.0502","0.0002","5.6882","0.0002","19.3565","0.0004","90","","97.058","0.002","90","","1098.18","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N4 O5 S -","- C22 H17 F3 N4 O5 S -","- C44 H34 F6 N8 O10 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0419","0.038","","","0.0927","0.0954","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205441","30.9755","0.0004","6.7922","0.0001","41.2428","0.0004","90","","94.597","0.001","90","","8649.23","0.19","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15.5 F3 N4 O3.75 S -","- C21 H15.5 F3 N4 O3.75 S -","- C336 H248 F48 N64 O60 S16 -","16","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0861","0.0698","","","0.1821","0.1923","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205442","4.7288","0.0011","9.1387","0.0019","30.731","0.006","93.847","0.014","94.068","0.015","98.881","0.014","1304.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 F3 N4 O5 S -","- C26 H24 F3 N4 O5 S -","- C52 H48 F6 N8 O10 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.19","0.1015","","","0.2674","0.334","","","","","","1.016","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205443","4.8341","0.0001","20.1082","0.0005","27.8986","0.0009","76.114","0.001","88.138","0.002","88.318","0.001","2630.59","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 F3 N4 O5 S -","- C26 H25 F3 N4 O5 S -","- C104 H100 F12 N16 O20 S4 -","4","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0602","0.0481","","","0.1243","0.1323","","","","","","1.104","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205444","4.2653","0.0001","10.5529","0.0004","26.0208","0.0007","79.685","0.003","86.626","0.003","85.887","0.003","1148.07","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C46 H38 F6 N8 O10 S2 -","2","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0685","0.0594","","","0.1481","0.1544","","","","","","1.057","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205445","19.0132","0.0004","4.519","0.0001","26.8556","0.0004","90","","98.814","0.001","90","","2280.2","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C92 H76 F12 N16 O20 S4 -","4","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.091","0.0651","","","0.1546","0.1712","","","","","","1.034","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205446","9.396","0.006","13.535","0.008","17.036","0.01","104.757","0.008","91.076","0.007","90.354","0.008","2095","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H29 F6 N8 O8 S2 -","- C44 H29 F6 N8 O8 S2 -","- C88 H58 F12 N16 O16 S4 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","0.71073","MoKα","","0.2087","0.1016","","","0.2283","0.2929","","","","","","0.986","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205447","11.3294","0.0002","13.7454","0.0003","15.9536","0.0004","112.029","0.001","90.006","0.002","112.28","0.001","2101.56","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 F6 N8 O8 S2 -","- C44 H32 F6 N8 O8 S2 -","- C88 H64 F12 N16 O16 S4 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0637","0.0472","","","0.1204","0.1309","","","","","","1.023","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7205448","14.506","0.005","6.418","0.002","16.25","0.005","90","","109.421","0.004","90","","1426.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Ag3 N7 -","- C9 H12 Ag3 N7 -","- C36 H48 Ag12 N28 -","4","0.5","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.0361","0.0311","","","0.074","0.0761","","","","","","0.984","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205449","7.252","0.004","11.319","0.007","15.859","0.009","80.714","0.007","85.325","0.007","78.239","0.007","1256.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Ag7 Cl N18 O6 -","- C24 H36 Ag7 Cl N18 O6 -","- C24 H36 Ag7 Cl N18 O6 -","1","0.5","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.06","0.049","","","0.1406","0.147","","","","","","1.054","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205450","21.816","0.009","21.816","0.009","6.881","0.004","90","","90","","90","","3275","3","293","2","293","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C16 H27 Ag6 Cl N12 O2 -","- C16 H24 Ag6 Cl N12 O2 -","- C64 H96 Ag24 Cl4 N48 O8 -","4","0.125","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.0479","0.038","","","0.0982","0.1026","","","","","","1.14","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205451","9.287","0.003","7.0017","0.0019","13.168","0.004","90","","91.941","0.004","90","","855.8","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0354","0.0292","","","0.0772","0.0974","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205452","9.291","0.005","7.006","0.003","13.182","0.006","90","","91.935","0.007","90","","857.6","0.7","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0425","0.0336","","","0.0854","0.1136","","","","","","0.962","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205453","13.785","0.003","15.175","0.003","19.161","0.004","86.08","0.03","71.73","0.03","73.39","0.03","3646.4","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H64 N9 O23 Yb3 -","- C63 H49 N9 O23 Yb3 -","- C126 H98 N18 O46 Yb6 -","2","1","","Yan, Peng-Fei; Chen, Shuo; Chen, Peng; Zhang, Ju-Wen; Li, Guang-Ming","Novel quadridentate salen type triple-decker sandwich ytterbium complexes with near infrared luminescence","CrystEngComm","2011","13","1","36","","10.1039/c0ce00553c","","","0.71073","MoKα","","0.2273","0.0897","","","0.1896","0.2474","","","","","","0.988","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205454","14.504","0.003","23.595","0.007","18.676","0.007","90","","124.2","0.04","90","","5286","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H47 N6 O7.5 Yb2 -","- C61 H47 N6 O7.5 Yb2 -","- C244 H188 N24 O30 Yb8 -","4","1","","Yan, Peng-Fei; Chen, Shuo; Chen, Peng; Zhang, Ju-Wen; Li, Guang-Ming","Novel quadridentate salen type triple-decker sandwich ytterbium complexes with near infrared luminescence","CrystEngComm","2011","13","1","36","","10.1039/c0ce00553c","","","0.71073","MoKα","","0.0808","0.0519","","","0.0998","0.1111","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205455","27.772","0.016","15.198","0.009","15.174","0.009","90","","104.897","0.013","90","","6189","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Co3 N6 O12 -","- C72 H54 Co3 N6 O12 -","- C288 H216 Co12 N24 O48 -","4","0.5","","Luo, Feng; Zou, Jin; Ning, Yang; Wang, Yong; Feng, Xue-Feng; Yan, Gui-le; Wei, Fan-shu; Luo, Wen-wu; Xu, Wen-yuan; Huang, Guo-lin","New topology observed in highly rare interlaced triple-stranded molecular braid","CrystEngComm","2011","13","2","421","","10.1039/c0ce00564a","","","0.71073","MoKα","","0.1165","0.0682","","","0.1695","0.1963","","","","","","1.039","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205456","13.483","0.003","13.994","0.003","17.054","0.003","69.26","0.03","82.67","0.03","89.13","0.03","2983.1","1.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 N4 O14 Zn4 -","- C70 H58 N4 O14 Zn4 -","- C140 H116 N8 O28 Zn8 -","2","1","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0565","0.0473","","","0.0998","0.1049","","","","","","1.096","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205457","9.5105","0.0019","9.829","0.002","14.496","0.003","106.93","0.03","97.29","0.03","102.26","0.03","1240.7","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O4 Zn -","- C30 H24 N2 O4 Zn -","- C60 H48 N4 O8 Zn2 -","2","1","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0492","0.0373","","","0.083","0.0879","","","","","","1.056","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205458","25.029","0.005","5.8653","0.0012","20.98","0.004","90","","92.38","0.03","90","","3077.3","1.1","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 O6 Zn -","- C30 H28 N2 O6 Zn -","- C120 H112 N8 O24 Zn4 -","4","0.5","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0726","0.0624","","","0.1782","0.1897","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205459","14.4305","0.0015","9.9821","0.0009","25.489","0.002","90","","90.917","0.001","90","","3671.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd2 I4 N12 -","- C28 H24 Cd2 I4 N12 -","- C112 H96 Cd8 I16 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.1141","0.0908","","","0.1886","0.2025","","","","","","1.158","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205460","18.1301","0.0019","8.2353","0.0007","24.658","0.002","90","","101.996","0.002","90","","3601.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Br6 Cd3 N12 -","- C28 H24 Br6 Cd3 N12 -","- C112 H96 Br24 Cd12 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0512","0.0355","","","0.0908","0.0959","","","","","","1.03","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205461","25.887","0.002","6.751","0.001","25.753","0.002","90","","104.269","0.002","90","","4361.8","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd5 Cl10 N12 -","- C28 H24 Cd5 Cl10 N12 -","- C112 H96 Cd20 Cl40 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0978","0.0593","","","0.1487","0.1871","","","","","","1.121","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205462","9.9448","0.0011","23.481","0.003","9.1979","0.0012","90","","112.179","0.001","90","","1988.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cd I2 N6 -","- C15 H14 Cd I2 N6 -","- C60 H56 Cd4 I8 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0526","0.0342","","","0.0649","0.0729","","","","","","1.071","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205463","10.5203","0.0009","23.232","0.003","8.5244","0.0007","90","","111.578","0.001","90","","1937.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 Cd N6 -","- C16 H16 Br2 Cd N6 -","- C64 H64 Br8 Cd4 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0454","0.0347","","","0.0757","0.079","","","","","","1.11","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205464","10.2326","0.0011","12.402","0.0017","16.713","0.002","90","","91.978","0.001","90","","2119.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br2 Cd N6 -","- C18 H20 Br2 Cd N6 -","- C72 H80 Br8 Cd4 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0409","0.0263","","","0.0572","0.0618","","","","","","1.017","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205465","16.8129","0.0018","57.479","0.004","9.5157","0.0013","90","","98.392","0.001","90","","9097.4","1.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H80 Cd4 I8 N24 -","- C72 H80 Cd4 I8 N24 -","- C288 H320 Cd16 I32 N96 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.1302","0.0615","","","0.1389","0.178","","","","","","1.044","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205466","6.7587","0.0002","19.4871","0.0008","31.012","0.0011","90","","90","","90","","4084.5","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C192 H144 O16 S16 -","8","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0944","0.0555","","","0.1529","0.1771","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205467","16.3268","0.0005","22.014","0.0008","5.3481","0.0001","90","","90","","90","","1922.2","0.1","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C96 H72 O8 S8 -","4","0.5","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.178","0.0807","","","0.2293","0.2911","","","","","","1.025","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205468","4.5694","0.0004","23.812","0.002","11.7744","0.0009","90","","99.299","0.006","90","","1264.3","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C64 H40 O8 S4 -","4","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0887","0.0528","","","0.1389","0.1661","","","","","","0.969","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205469","7.7573","0.0009","8.3355","0.0008","10.1969","0.0011","75.158","0.007","89.963","0.007","86.091","0.007","635.76","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C32 H20 O4 S2 -","2","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0491","0.0402","","","0.1327","0.1467","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205470","10.0492","0.0005","10.7503","0.0004","11.8342","0.0005","85.893","0.002","77.451","0.0019","66.043","0.002","1140.22","0.09","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H17 B N6 O -","- C30 H17 B N6 O -","- C60 H34 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.079","0.0519","","","0.1262","0.1448","","","","","","1.055","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205471","10.1555","0.0003","10.9258","0.0004","11.7215","0.0004","86.353","0.0017","78.496","0.002","66.987","0.0018","1172.88","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 B N6 O -","- C31 H19 B N6 O -","- C62 H38 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.0651","0.0465","","","0.1138","0.1264","","","","","","1.058","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205472","8.5535","0.0002","12.7466","0.0004","13.2395","0.0004","79.9663","0.0014","78.2792","0.0016","70.9358","0.0017","1326.75","0.07","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H25 B N6 O -","- C34 H25 B N6 O -","- C68 H50 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1178","0.0601","","","0.1434","0.1787","","","","","","1.045","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205473","16.453","0.0004","11.9941","0.0002","17.5406","0.0004","90","","108.19","0.0011","90","","3288.46","0.12","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B N6 O -","- C41 H36 B N6 O -","- C164 H144 B4 N24 O4 -","4","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1108","0.0562","","","0.1309","0.1595","","","","","","1.051","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205474","10.042","0.0003","10.7558","0.0004","11.7366","0.0004","85.821","0.0018","77.156","0.0019","66.582","0.0019","1133.97","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B F N6 O -","- C30 H16 B F N6 O -","- C60 H32 B2 F2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1005","0.0553","","","0.1262","0.1536","","","","","","1.021","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205475","39.052","0.006","9.8693","0.0013","26.197","0.004","90","","120.12","0.005","90","","8733","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H46 Ag3 N6 O11 -","- C45 H46 Ag3 N6 O11 -","- C360 H368 Ag24 N48 O88 -","8","1","","Yang, Guo-Ping; Zhou, Jun-Hong; Wang, Yao-Yu; Liu, Ping; Shi, Chun-Cheng; Fu, Ai-Yun; Shi, Qi-Zhen","An unusual 1D ladder-like silver(i) coordination polymer involving novel 1D →3D five-folded interpenetrated and [3 + 2] catenaned features generated by Ag⋯O interactions","CrystEngComm","2011","13","1","33","","10.1039/c0ce00601g","","","0.71073","MoKα","","0.1255","0.0678","","","0.1953","0.2236","","","","","","1.008","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205476","5.9593","0.0012","13.522","0.003","13.599","0.003","114.71","0.03","93.33","0.03","93.88","0.03","988.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ba N3 O7 S -","- C18 H16 Ba N3 O7 S -","- C36 H32 Ba2 N6 O14 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Zhang, Guangju; Sun, Dianzhen; He, Jianghong; Yuan, Ruo; Wang, Enbo","An unprecedented (5,12)-connected 3D self-penetrating metal‒organic framework based on dinuclear barium clusters as building blocks","CrystEngComm","2011","13","2","433","","10.1039/c0ce00622j","","","0.71073","MoKα","","0.0199","0.019","","","0.0574","0.0582","","","","","","1.041","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205477","6.9659","0.0007","29.074","0.003","7.857","0.0008","90","","105.268","0.001","90","","1535.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cd2 N4 O12 -","- C32 H28 Cd2 N4 O12 -","- C64 H56 Cd4 N8 O24 -","2","0.5","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.038","0.0367","","","0.1003","0.1015","","","","","","1.111","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205478","10.214","0.0009","10.5245","0.0009","11.245","0.001","90","","97.857","0.001","90","","1197.46","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 Co N4 O9 -","- C24 H26 Co N4 O9 -","- C48 H52 Co2 N8 O18 -","2","1","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.0399","0.0394","","","0.1061","0.1066","","","","","","1.178","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205479","7.2812","0.001","10.7032","0.0014","10.8333","0.0014","95.672","0.002","103.322","0.002","109.235","0.002","761.52","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 N4 O12 -","- C32 H28 Cu2 N4 O12 -","- C32 H28 Cu2 N4 O12 -","1","0.5","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.0418","0.0396","","","0.1076","0.1094","","","","","","1.149","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205480","9.5667","0.0001","16.4081","0.0002","16.4469","0.0002","90","","90","","90","","2581.69","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cd2 N4 O12 -","- C20 H28 Cd2 N4 O12 -","- C80 H112 Cd8 N16 O48 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54178","CuKα","","0.0276","0.0241","","","0.0554","0.0567","","","","","","1.021","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205481","9.3702","0.0006","9.3702","0.0006","14.7404","0.0013","90","","90","","90","","1294.22","0.16","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 Co N2 O7 -","- C10 H16 Co N2 O7 -","- C40 H64 Co4 N8 O28 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0228","0.0217","","","0.0552","0.0554","","","","","","1.107","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205482","6.0278","0.0003","12.0022","0.0006","9.2687","0.0004","90","","97.549","0.004","90","","664.75","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 Ni O6 -","- C10 H14 N2 Ni O6 -","- C20 H28 N4 Ni2 O12 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54184","CuKα","","0.0428","0.0388","","","0.1009","0.1039","","","","","","1.104","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205483","9.3479","0.0002","9.3479","0.0002","14.7797","0.0003","90","","90","","90","","1291.5","0.05","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 N2 O7 Zn -","- C10 H16 N2 O7 Zn -","- C40 H64 N8 O28 Zn4 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0348","0.0278","","","0.0441","0.0454","","","","","","0.789","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205484","8.4907","0.0006","9.3897","0.0008","16.0819","0.001","90","","90","","90","","1282.13","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cd N2 O5 -","- C11 H14 Cd N2 O5 -","- C44 H56 Cd4 N8 O20 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0427","0.0303","","","0.0526","0.0545","","","","","","0.951","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205485","6.188","0.0001","7.2073","0.0002","8.7257","0.0003","102.042","0.001","104.124","0.001","113.839","0.001","323.824","0.016","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","1","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.017","0.0169","","","0.0431","0.0431","","","","","","1.07","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205486","11.3635","0.0014","14.1791","0.0017","15.1146","0.0018","90","","111.006","0.002","90","","2273.5","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.0575","0.0432","","","0.1118","0.1197","","","","","","1.04","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205487","11.3843","0.0015","14.2937","0.0019","15.125","0.002","90","","111.656","0.003","90","","2287.5","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32.007 H24.007 O2 -","- C128.028 H96.028 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.0712","0.0471","","","0.1191","0.1308","","","","","","1.019","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205488","11.3564","0.0014","14.1618","0.0017","15.1141","0.0018","90","","111.017","0.002","90","","2269","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.058","0.0439","","","0.1108","0.1189","","","","","","1.021","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205489","10.0998","0.0007","12.1043","0.0008","11.8472","0.0008","90","","98.582","0.001","90","","1432.12","0.17","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Bi2 O6 -","- C8 H4 Bi2 O6 -","- C48 H24 Bi12 O36 -","6","1.5","","Wibowo, Arief C.; Smith, Mark D.; zur Loye, Hans-Conrad","New 3D bismuth-oxo coordination polymers containing terephthalate-based ligands: observation of Bi2O2-layer and Bi4O3-chain motifs","CrystEngComm","2011","13","2","426","","10.1039/c0ce00650e","","","0.71073","MoKα","","0.0328","0.0256","","","0.0585","0.0619","","","","","","1.021","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205490","11.6396","0.0017","11.7565","0.0017","13.0034","0.0019","101.04","0.003","93.708","0.003","114.402","0.002","1569.7","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12.36 Bi4 N3 O22.68 -","- C24 H9 Bi4 N3 O22.68 -","- C48 H18 Bi8 N6 O45.36 -","2","1","","Wibowo, Arief C.; Smith, Mark D.; zur Loye, Hans-Conrad","New 3D bismuth-oxo coordination polymers containing terephthalate-based ligands: observation of Bi2O2-layer and Bi4O3-chain motifs","CrystEngComm","2011","13","2","426","","10.1039/c0ce00650e","","","0.71073","MoKα","","0.0539","0.0401","","","0.087","0.0929","","","","","","1.025","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205491","14.5579","0.0014","14.5579","0.0014","16.2961","0.0016","90","","90","","90","","3453.7","0.6","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Br Cu H2 I2 O2 Pb2 -","- Br Cu H2 I2 O2 Pb2 -","- Br16 Cu16 H32 I32 O32 Pb32 -","16","0.5","","Hu, Fei; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Ionothermal synthesis of a new (4,12)-connected heterometallic iodoplumbate with [Pb4(OH)4] cubane as joint points of the helices","CrystEngComm","2011","13","2","414","","10.1039/c0ce00651c","","","0.71073","MoKα","","0.0907","0.0727","","","0.1995","0.2178","","","","","","1.067","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205492","18.022","0.004","16.787","0.003","22.439","0.005","90","","104.818","0.002","90","","6563","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PgC4GP","","","- C65 H102 N2 O20 -","- C65 H102 N2 O20 -","- C260 H408 N8 O80 -","4","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.71073","MoKα","","0.0762","0.0524","","","0.143","0.1619","","","","","","1.032","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205493","12.137","0.005","16.978","0.007","31.818","0.013","92.253","0.006","90.065","0.006","93.959","0.006","6536","5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C129 H200 N4 O37.5 -","- C129 H200 N4 O37.5 -","- C258 H400 N8 O75 -","2","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.71073","MoKα","","0.1476","0.0914","","","0.2484","0.2927","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205494","29.602","0.008","15.909","0.004","25.228","0.007","90","","97.868","0.004","90","","11769","5","100","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H64 N O27.55 -","- C49 H64 N O27.55 -","- C392 H512 N8 O220.4 -","8","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.7749","","","0.1645","0.1178","","","0.3252","0.3655","","","","","","1.408","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205495","10.2834","0.0002","13.4971","0.0002","19.7289","0.0002","87.661","0.001","79.161","0.001","89.244","0.001","2687.16","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H32 B F24 Mo N3 O3 -","- C54 H32 B F24 Mo N3 O3 -","- C108 H64 B2 F48 Mo2 N6 O6 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0654","0.0508","","","0.1551","0.1695","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205496","9.0225","0.0001","15.1359","0.0001","17.6892","0.0001","90","","90","","90","","2415.7","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Mo N3 O4 -","- C26 H27 Mo N3 O4 -","- C104 H108 Mo4 N12 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0353","0.0316","","","0.0805","0.0903","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205497","12.4276","0.0002","18.3539","0.0003","25.8077","0.0005","90","","94.526","0.001","90","","5868.25","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H40 B F24 Mo N3 O4 -","- C58 H40 B F24 Mo N3 O4 -","- C232 H160 B4 F96 Mo4 N12 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0886","0.0644","","","0.1916","0.2204","","","","","","1.056","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205498","12.7311","0.0003","14.0298","0.0004","35.9014","0.0008","90","","90","","90","","6412.5","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H48 B F24 Mo N5 O3 -","- C63 H48 B F24 Mo N5 O3 -","- C252 H192 B4 F96 Mo4 N20 O12 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.097","0.0567","","","0.1362","0.1792","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205499","19.3433","0.0004","21.3842","0.0004","16.9253","0.0003","90","","97.644","0.001","90","","6938.8","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 B Cl4 F24 Mo N5 O4 -","- C62 H48 B Cl4 F24 Mo N5 O4 -","- C248 H192 B4 Cl16 F96 Mo4 N20 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0944","0.0731","","","0.2106","0.2256","","","","","","1.001","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205500","12.8482","0.0003","12.969","0.0003","18.5662","0.0005","98.097","0.002","108.331","0.002","90.332","0.002","2903.26","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H37 B F24 Mo N4 O3 -","- C59 H37 B F24 Mo N4 O3 -","- C118 H74 B2 F48 Mo2 N8 O6 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0621","0.0564","","","0.1556","0.1606","","","","","","1","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205501","12.48","0.005","13.029","0.005","21.067","0.005","83.95","0.005","73.541","0.005","86.462","0.005","3265","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H47 B F24 Mo N4 O4 -","- C60 H47 B F24 Mo N4 O4 -","- C120 H94 B2 F48 Mo2 N8 O8 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0942","0.0772","","","0.2232","0.2397","","","","","","1.085","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205502","12.4659","0.001","13.596","0.001","17.4953","0.0013","85.431","0.006","83.001","0.006","81.125","0.006","2902.3","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H35 B F24 Mo N2 O4 -","- C55 H35 B F24 Mo N2 O4 -","- C110 H70 B2 F48 Mo2 N4 O8 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.1194","0.0969","","","0.2376","0.2406","","","","","","1.009","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205503","3.9135","0.0014","7.475","0.003","22.656","0.008","90","","95.447","0.007","90","","659.8","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 S2 -","- C14 H10 N4 S2 -","- C28 H20 N8 S4 -","2","0.5","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0849","0.0798","","","0.1895","0.1913","","","","","","1.212","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205504","3.8169","0.0014","7.901","0.003","26.283","0.009","90","","96.527","0.006","90","","787.5","0.5","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H10 Ag N5 O3 S2 -","- C14 H10 Ag N5 O3 S2 -","- C28 H20 Ag2 N10 O6 S4 -","2","0.5","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0729","0.0408","","","0.1006","0.1384","","","","","","1.018","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205505","13.731","0.004","8.046","0.003","15.458","0.005","90","","101.94","0.004","90","","1670.8","1","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Ag Cl N4 O4 S2 -","- C14 H10 Ag Cl N4 O4 S2 -","- C56 H40 Ag4 Cl4 N16 O16 S8 -","4","1","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0751","0.0568","","","0.16","0.1698","","","","","","1.007","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205506","8.2588","0.0012","9.6887","0.0014","13.0447","0.0019","71.193","0.002","81.694","0.002","72.739","0.002","942.2","0.2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 Ag F3 N4 O2 S2 -","- C16 H10 Ag F3 N4 O2 S2 -","- C32 H20 Ag2 F6 N8 O4 S4 -","2","1","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0592","0.0479","","","0.1421","0.1489","","","","","","1.089","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205507","8.546","0.004","11.661","0.006","10.097","0.005","90","","108.355","0.008","90","","955","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0577","0.0459","","","0.1195","0.1264","","","","","","1.079","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205508","14.3365","0.0018","5.0427","0.0007","12.6153","0.0015","90","","100.28","0.009","90","","897.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0939","0.0616","","","0.1417","0.1566","","","","","","1.147","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205509","10.3591","0.0004","12.9102","0.0004","27.5492","0.0008","90","","90","","90","","3684.4","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0778","0.0434","","","0.0978","0.115","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205510","23.0936","0.0009","7.945","0.0003","15.8799","0.0007","90","","132.487","0.003","90","","2148.59","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Ag N5 O3 -","- C22 H24 Ag N5 O3 -","- C88 H96 Ag4 N20 O12 -","4","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0251","0.0248","","","0.0652","0.0655","","","","","","1.106","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205511","8.8647","0.0012","14.487","0.002","14.955","0.002","92.109","0.009","104.197","0.008","99.937","0.008","1827.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H81 Ag2 F6 N15 O6 S2 -","- C74 H78 Ag2 F6 N15 O6 S2 -","- C74 H78 Ag2 F6 N15 O6 S2 -","1","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0695","0.0426","","","0.0862","0.0958","","","","","","1.015","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205512","16.899","0.01","11.673","0.006","18.918","0.011","90","","98.356","0.012","90","","3692","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H90 Ag2 N20 O6 -","- C78 H90 Ag2 N20 O6 -","- C156 H180 Ag4 N40 O12 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0645","0.0337","","","0.0726","0.0832","","","","","","1.02","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205513","17.3463","0.0008","11.8598","0.0005","19.225","0.0009","90","","99.584","0.003","90","","3899.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H90 Ag2 B2 F8 N18 -","- C78 H90 Ag2 B2 F8 N18 -","- C156 H180 Ag4 B4 F16 N36 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0644","0.0387","","","0.08","0.0891","","","","","","1.01","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205514","20.379","0.003","20.379","","16.588","0.002","90","","90","","90","","6889.1","1.3","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C70 H78 Ag2 B2 F8 N14 -","- C70 H78 Ag2 B2 F8 N14 -","- C280 H312 Ag8 B8 F32 N56 -","4","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.059","0.0418","","","0.1046","0.1114","","","","","","1.065","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205515","16.3239","0.0018","19.566","0.002","20.852","0.002","90","","90","","90","","6660","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H75 Ag2 N15 O6 -","- C68 H75 Ag2 N15 O6 -","- C272 H300 Ag8 N60 O24 -","4","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0466","0.0423","","","0.1178","0.1218","","","","","","1.068","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205516","19.8931","0.0006","19.8931","0.0006","19.8931","0.0006","90","","90","","90","","7872.4","0.4","100","2","100","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C66 H72 Ag2 F12 N12 P2 -","- C66 H72 Ag2 F12.004 N12 P2 -","- C264 H288 Ag8 F48.016 N48 P8 -","4","0.166667","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.109","0.0776","","","0.2651","0.3221","","","","","","1.111","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205517","10.0339","0.0008","12.3064","0.0009","17.8158","0.0014","90","","103.88","0.003","90","","2135.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Ag N5 O3 -","- C22 H24 Ag N5 O3 -","- C88 H96 Ag4 N20 O12 -","4","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0285","0.0238","","","0.0582","0.061","","","","","","1.035","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205518","15.7432","0.0003","22.136","0.0004","15.9373","0.0003","90","","90.294","0.001","90","","5553.94","0.18","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H82 O9 -","- C62 H82 O9 -","- C248 H328 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0672","0.0551","","","0.1531","0.1723","","","","","","1.051","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205519","15.6344","0.0006","22.1572","0.0007","15.8763","0.0005","90","","91.049","0.002","90","","5498.9","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H84 O9 -","- C62 H84 O9 -","- C248 H336 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0861","0.0524","","","0.15","0.1668","","","","","","1.015","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205520","15.6509","0.0004","25.0523","0.0006","15.9443","0.0004","90","","90.258","0.001","90","","6251.6","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H98 O9 -","- C70 H98 O9 -","- C280 H392 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0758","0.0433","","","0.1126","0.1485","","","","","","1.04","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205521","15.6292","0.0003","23.7075","0.0005","16.6136","0.0004","90","","92.02","0.001","90","","6152","0.2","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H94 O9 -","- C70 H94 O9 -","- C280 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1199","0.0862","","","0.2346","0.2824","","","","","","1.043","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205522","15.9123","0.0011","24.6729","0.0016","16.1465","0.001","90","","90.295","0.004","90","","6339.1","0.7","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C74 H94 O9 -","- C74 H94 O9 -","- C296 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1068","0.0713","","","0.2116","0.2327","","","","","","1.091","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205523","15.6436","0.0004","23.5263","0.0005","15.9163","0.0003","90","","91.356","0.001","90","","5856.1","0.2","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C68 H90 O9 -","- C68 H90 O9 -","- C272 H360 O36 -","4","1","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0777","0.0527","","","0.1402","0.1704","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205524","10.298","0.002","6.4096","0.0013","24.68","0.007","90","","108.08","0.03","90","","1548.6","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 Cocrystal of nitrofurantoin and 4-hydroxybenzoic acid","1:1 Cocrystal of nitrofurantoin and 4-hydroxybenzoic acid","","- C15 H12 N4 O8 -","- C15 H12 N4 O8 -","- C60 H48 N16 O32 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Characterization, physicochemical and photo-stability of a co-crystal involving an antibiotic drug, nitrofurantoin, and 4-hydroxybenzoic acid","CrystEngComm","2011","13","3","759","","10.1039/c0ce00772b","","","0.71073","MoKα","","0.0599","0.0552","","","0.1463","0.1546","","","","","","1.134","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205525","14.0455","0.0001","14.0455","0.0001","14.6075","0.0002","90","","90","","90","","2881.71","0.05","273","2","273","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H14 Cu3 N6 O9 -","- C12 H14 Cu3 N6 O9 -","- C48 H56 Cu12 N24 O36 -","4","0.25","","Ling, Yun; Zhang, Lei; Li, Jing; Du, Miao","A robust porous PtS-type Cu(ii) metal‒organic framework: single-crystal-to-single-crystal transformation with reversible guest intercalation accompanied by colour change","CrystEngComm","2011","13","3","768","","10.1039/c0ce00775g","","","0.71073","MoKα","","0.085","0.0469","","","0.1318","0.1406","","","","","","0.95","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205526","17.7892","0.0003","17.7892","0.0003","15.0473","0.0003","90","","90","","90","","4761.8","0.15","173","2","173","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H46 F6 N4 O3 S2 Si Zn -","- C46 H46 F6 N4 O3 S2 Si Zn -","- C184 H184 F24 N16 O12 S8 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0776","0.0663","","","0.1993","0.2118","","","","","","1.064","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205527","19.9188","0.0003","19.9188","0.0003","15.2892","0.0006","90","","90","","90","","6066.1","0.3","173","2","173","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C52 H40 Cl16 F6 N4 Si Zn -","- C52 H40 Cl16 F6 N4 Si Zn -","- C208 H160 Cl64 F24 N16 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0862","0.0537","","","0.137","0.17","","","","","","1.065","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205528","23.5058","0.0004","14.3158","0.0004","16.6984","0.0005","90","","119.933","0.002","90","","4869.6","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N5 O40 P W12 -","- C19 H24 N5 O40 P W12 -","- C76 H96 N20 O160 P4 W48 -","4","0.5","","Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude","Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals.","Physical chemistry chemical physics : PCCP","2011","13","1","322","327","10.1039/c0cp00446d","","","0.71073","MoKα","","0.0434","0.0377","","","0.1027","0.1141","","","","","","1.165","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205529","12.216","0.003","14.035","0.003","12.988","0.003","90","","98.045","0.013","90","","2204.9","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N3 O40 P W12 -","- C15 H18 N3 O40 P W12 -","- C30 H36 N6 O80 P2 W24 -","2","0.5","","Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude","Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals.","Physical chemistry chemical physics : PCCP","2011","13","1","322","327","10.1039/c0cp00446d","","","0.71073","MoKα","","0.2909","0.1145","","","0.2535","0.3095","","","","","","0.947","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205530","12.8201","0.0012","16.9483","0.0016","14.7822","0.0015","90","","90.024","0.002","90","","3211.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene, 6,cyano-4,nitrobenzofuroxane","tetrathiafulvalene, 6,cyano-4,nitrobenzofuroxane","","- C13 H6 N4 O4 S4 -","- C13 H6 N4 O4 S4 -","- C104 H48 N32 O32 S32 -","8","2","","Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis","Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.","Physical chemistry chemical physics : PCCP","2011","13","7","2857","2869","10.1039/c0cp01282c","","","0.71073","MoKα","","0.1382","0.09","","","0.1645","0.179","","","","","","1.239","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205531","7.5426","0.0007","9.0675","0.0008","13.3535","0.0012","75.171","0.002","76.615","0.002","73.739","0.002","834.88","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","tetrathiafulvalene, nitrobenzodithiadiazole","tetrathiafulvalene, nitrobenzodithiadiazole","","- C12 H5 N5 O2 S6 -","- C12 H5 N5 O2 S6 -","- C24 H10 N10 O4 S12 -","2","1","","Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis","Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.","Physical chemistry chemical physics : PCCP","2011","13","7","2857","2869","10.1039/c0cp01282c","","","0.71073","MoKα","","0.0799","0.0531","","","0.1271","0.1406","","","","","","1.026","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205532","9.8632","0.0019","8.1924","0.0016","10.8","0.002","90","","111.484","0.004","90","","812","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6,cyano-4,nitrobenzofuroxane","6,cyano-4,nitrobenzofuroxane","","- C7 H2 N4 O4 -","- C7 H2 N4 O4 -","- C28 H8 N16 O16 -","4","1","","Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis","Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.","Physical chemistry chemical physics : PCCP","2011","13","7","2857","2869","10.1039/c0cp01282c","","","0.71073","MoKα","","0.0688","0.0431","","","0.1152","0.1308","","","","","","1.013","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205533","5.8286","0.0002","22.7537","0.0009","19.7775","0.0007","90","","94.418","0.004","90","","2615.14","0.17","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-bis(2',2-bi-5-thienyl)-1,2,4,5-tetrazine","","- C27 H15 N6 S6 -","- C27 H15 N6 S6 -","- C108 H60 N24 S24 -","4","1","","Kurach, Ewa; Djurado, David; Rimarčik, Jan; Kornet, Aleksandra; Wlostowski, Marek; Lukeš, Vladimir; Pécaut, Jacques; Zagorska, Malgorzata; Pron, Adam","Effect of substituents on redox, spectroscopic and structural properties of conjugated diaryltetrazines-a combined experimental and theoretical study.","Physical chemistry chemical physics : PCCP","2011","13","7","2690","2700","10.1039/c0cp01553a","","","0.71073","MoKα","","0.0853","0.0375","","","0.0555","0.0607","","","","","","0.82","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205534","7.7354","0.0011","5.7181","0.0008","13.3641","0.0018","90","","93.737","0.002","90","","589.86","0.14","102","2","102","2","","","","","","","","3","P 1 21 1","P 2yb","4","Naproxen","Naproxen","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","King, Matthew D.; Buchanan, William D.; Korter, Timothy M.","Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals.","Physical chemistry chemical physics : PCCP","2011","13","10","4250","4259","10.1039/c0cp01595d","","","0.71073","MoKα","","0.0367","0.0343","","","0.0941","0.0976","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205535","11.809","0.007","24.155","0.013","35.31","0.019","109.785","0.008","95.2","0.008","94.589","0.009","9372","9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H5 K9.75 O87.5 P2 Sn W19 -","- C6 H5 K9.75 O87.5 P2 Sn W19 -","- C24 H20 K39 O350 P8 Sn4 W76 -","4","2","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0636","0.0486","","","0.1193","0.1265","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205536","11.914","0.005","18.028","0.007","24.593","0.013","109.06","0.008","92.994","0.008","108.872","0.005","4650","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H5 K9 O86 P2 Sn W19 -","- C6 H5 K9 O86 P2 Sn W19 -","- C12 H10 K18 O172 P4 Sn2 W38 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0581","0.0428","","","0.1103","0.1194","","","","","","1.034","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205537","32.678","0.004","14.1708","0.0019","39.662","0.005","90","","94.992","0.002","90","","18297","4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 K6 O82.99 P2 Rb2 Sn2 W19 -","- C12 H10 K6 O82.99 P2 Rb2 Sn2 W19 -","- C96 H80 K48 O663.92 P16 Rb16 Sn16 W152 -","8","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0747","0.0458","","","0.1331","0.1508","","","","","","1.047","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205538","12.071","0.007","17.845","0.01","24.577","0.013","69.222","0.007","80.827","0.008","70.812","0.008","4669","5","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C8 H5 Cu K4 N O84 P2 Rb4 Sn W19 -","- C8 H5 Cu K4 N O84 P2 Rb4 Sn W19 -","- C16 H10 Cu2 K8 N2 O168 P4 Rb8 Sn2 W38 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0596","0.0432","","","0.1081","0.1155","","","","","","1.034","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205539","9.3778","0.001","10.7852","0.001","11.1818","0.0013","101.718","0.005","114.717","0.004","102.712","0.005","944.94","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 F3 N3 O3 Ru S -","- C18 H16 F3 N3 O3 Ru S -","- C36 H32 F6 N6 O6 Ru2 S2 -","2","1","","Thibault, Michelle E.; DiMondo, Domenico V.; Jennings, Michael; Abdelnur, Patrícia Verardi; Eberlin, Marcos N.; Schlaf, Marcel","Cyclopentadienyl and pentamethylcyclopentadienyl ruthenium complexes as catalysts for the total deoxygenation of 1,2-hexanediol and glycerol","Green Chemistry","2011","13","2","357","","10.1039/c0gc00255k","","","0.71073","MoKα","","0.0574","0.0395","","","0.0854","0.092","","","","","","1.053","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205540","8.5469","0.0001","15.1743","0.0002","20.6543","0.0002","90","","100.479","0.0011","90","","2634.04","0.05","153","1","153","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl6 O4 P4 Pd2 -","- C50 H46 Cl6 O4 P4 Pd2 -","- C100 H92 Cl12 O8 P8 Pd4 -","2","0.5","","Marziale, Alexander N.; Jantke, Dominik; Faul, Stefan H.; Reiner, Thomas; Herdtweck, Eberhardt; Eppinger, Jörg","An efficient protocol for the palladium-catalysed Suzuki‒Miyaura cross-coupling","Green Chemistry","2011","13","1","169","","10.1039/c0gc00522c","","","0.71073","MoKα","","0.0393","0.032","","","0.0707","0.0773","","","","","","1.084","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205541","17.6026","0.0006","17.6026","0.0006","23.747","0.0009","90","","90","","90","","7358","0.5","123","1","123","1","","","","","","","","6","P 43","P 4cw","78","","","","- C36 H44 Cl2 O2 P2 Pd2 -","- C36 H44 Cl2 O2 P2 Pd2 -","- C288 H352 Cl16 O16 P16 Pd16 -","8","2","","Marziale, Alexander N.; Jantke, Dominik; Faul, Stefan H.; Reiner, Thomas; Herdtweck, Eberhardt; Eppinger, Jörg","An efficient protocol for the palladium-catalysed Suzuki‒Miyaura cross-coupling","Green Chemistry","2011","13","1","169","","10.1039/c0gc00522c","","","0.71073","MoKα","","0.0287","0.0273","","","0.0688","0.0701","","","","","","1.071","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205542","12.284","0.0002","13.229","0.0002","18.391","0.0003","90","","90","","90","","2988.63","0.08","293","2","293","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C13 H24 F3 N O2 -","- C13 H24 F3 N O2 -","- C104 H192 F24 N8 O16 -","8","1","","Belhocine, Tayeb; Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Puga, Alberto V.; Seddon, Kenneth R.; Srinivasan, Geetha; Whiston, Keith","New ionic liquids from azepane and 3-methylpiperidine exhibiting wide electrochemical windows","Green Chemistry","2011","13","1","59","","10.1039/c0gc00534g","","","0.71073","MoKα","","0.0911","0.0789","","","0.2211","0.2428","","","","","","1.062","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205543","9.9543","0.0007","5.9678","0.0004","10.1404","0.0007","90","","90","","90","","602.39","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","selenolo(3,2-b)thiophene","selenolo[3,2-b]thiophene","","- C6 H4 S Se -","- C6 H4 S Se -","- C24 H16 S4 Se4 -","4","0.5","","Mishra, Sarada P.; Javier, Anna E.; Zhang, Rui; Liu, Junying; Belot, John A.; Osaka, Itaru; McCullough, Richard D.","Mixed selenium-sulfur fused ring systems as building blocks for novel polymers used in field effect transistors","Journal of Materials Chemistry","2011","21","5","1551","","10.1039/c0jm00602e","","","0.71073","MoKα","","0.0224","0.0201","","","0.0585","0.0596","","","","","","1.058","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205544","18.4493","0.0018","16.6052","0.0016","14.1055","0.0012","90","","99.196","0.004","90","","4265.7","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 O S9 -","- C43 H42 O S9 -","- C172 H168 O4 S36 -","4","1","","Wright, Iain A.; Skabara, Peter J.; Forgie, John C.; Kanibolotsky, Alexander L.; González, Blanca; Coles, Simon J.; Gambino, Salvatore; Samuel, Ifor D. W.","Electronic, redox and charge transport properties of an unusual hybrid structure: a bis(septithiophene) bridged by a fused tetrathiafulvalene (TTF)","Journal of Materials Chemistry","2011","21","5","1462","","10.1039/c0jm02293d","","","0.71073","MoKα","","0.2375","0.1478","","","0.2442","0.2903","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205545","11.7929","0.0002","12.7339","0.0003","15.5721","0.0004","82.895","0.001","74.031","0.002","66.263","0.002","2057.8","0.09","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C87 H84 S20 -","- C87 H84 S20 -","- C87 H84 S20 -","1","0.5","","Wright, Iain A.; Skabara, Peter J.; Forgie, John C.; Kanibolotsky, Alexander L.; González, Blanca; Coles, Simon J.; Gambino, Salvatore; Samuel, Ifor D. W.","Electronic, redox and charge transport properties of an unusual hybrid structure: a bis(septithiophene) bridged by a fused tetrathiafulvalene (TTF)","Journal of Materials Chemistry","2011","21","5","1462","","10.1039/c0jm02293d","","","0.71073","MoKα","","0.0702","0.0532","","","0.1385","0.15","","","","","","1.021","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205546","6.2605","0.0007","29.481","0.004","8.9958","0.001","90","","92.235","0.003","90","","1659.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Murphy, Erin B.","The return of photoelastic stress measurements: utilizing birefringence to monitor damage and repair in healable materials","Journal of Materials Chemistry","2011","21","5","1438","","10.1039/c0jm02308f","","","0.71073","MoKα","","0.0929","0.0527","","","0.1255","0.1503","","","","","","0.936","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205547","12.357","0.002","12.711","0.002","14.644","0.003","91.192","0.003","104.382","0.003","101.723","0.003","2175.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.83 H41.74 N2.91 O12 Si -","- C50.82 H41.73 N2.91 O12 Si -","- C101.64 H83.46 N5.82 O24 Si2 -","2","1","","Sarkar, Arindam; Tham, Fook S.; Haddon, Robert C.","Synthesis, crystallization, electrochemistry and single crystal X-ray analysis of a methoxy-substituted-tris-phenalenyl based neutral radical","Journal of Materials Chemistry","2011","21","5","1574","","10.1039/c0jm02397c","","","0.71073","MoKα","","0.1138","0.0547","","","0.1258","0.1563","","","","","","1.043","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205548","13.1909","0.0002","41.2909","0.0005","11.657","0.0002","90","","105.166","0.0004","90","","6128.02","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.72 H56.44 B Cl3.44 O12 Si -","- C70.72 H56.44 B Cl3.44 O12 Si -","- C282.88 H225.76 B4 Cl13.76 O48 Si4 -","4","1","","Sarkar, Arindam; Tham, Fook S.; Haddon, Robert C.","Synthesis, crystallization, electrochemistry and single crystal X-ray analysis of a methoxy-substituted-tris-phenalenyl based neutral radical","Journal of Materials Chemistry","2011","21","5","1574","","10.1039/c0jm02397c","","","0.71073","MoKα","","0.08","0.0557","","","0.1408","0.1562","","","","","","1.041","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205549","12.097","0.008","13.934","0.009","16.889","0.01","90","","94.519","0.012","90","","2838","3","297","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 F6 N2 -","- C36 H22 F6 N2 -","- C144 H88 F24 N8 -","4","1","","Li, Yueqin; Xu, Huihua; Tao, Xian; Qian, Kejia; Fu, Shuang; Shen, Yingzhong; Ding, Shijin","Synthesis and memory characteristics of highly organo-soluble polyimides bearing a noncoplanar twisted biphenyl unit containing aromatic side-chain groups","Journal of Materials Chemistry","2011","21","6","1810","","10.1039/c0jm02547j","","","0.71073","MoKα","","0.1284","0.0695","","","0.1494","0.1791","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205550","17.257","0.004","17.152","0.003","15.542","0.003","90","","116.36","0.03","90","","4122","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 F6 O8 -","- C48 H36 F6 O8 -","- C192 H144 F24 O32 -","4","1","","Li, Yueqin; Xu, Huihua; Tao, Xian; Qian, Kejia; Fu, Shuang; Shen, Yingzhong; Ding, Shijin","Synthesis and memory characteristics of highly organo-soluble polyimides bearing a noncoplanar twisted biphenyl unit containing aromatic side-chain groups","Journal of Materials Chemistry","2011","21","6","1810","","10.1039/c0jm02547j","","","0.71073","MoKα","","0.1483","0.0969","","","0.2126","0.2426","","","","","","1.185","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205551","10.9511","0.0003","10.1813","0.0003","14.9822","0.0004","90","","96.815","0.001","90","","1658.66","0.08","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Cl2 N6 O Pt -","- C12 H19 Cl2 N6 O Pt -","- C48 H76 Cl8 N24 O4 Pt4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0218","0.0187","","","0.0446","0.0457","","","","","","1.082","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205552","6.9439","0.0008","11.4246","0.0013","15.6571","0.0018","90","","90","","90","","1242.1","0.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Cl2 N5 O Pd -","- C9 H10 Cl2 N5 O Pd -","- C36 H40 Cl8 N20 O4 Pd4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0165","0.0159","","","0.0399","0.0402","","","","","","1.09","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205553","9.9445","0.0009","17.0345","0.0016","10.1105","0.001","90","","105.865","0.0012","90","","1647.5","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N5 O Pd -","- C13 H18 Cl2 N5 O Pd -","- C52 H72 Cl8 N20 O4 Pd4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0355","0.0261","","","0.0626","0.0664","","","","","","1.041","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205554","9.8844","0.0013","17.179","0.002","10.068","0.0014","90","","106.072","0.002","90","","1642.8","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N5 O Pt -","- C13 H18 Cl2 N5 O Pt -","- C52 H72 Cl8 N20 O4 Pt4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0444","0.0291","","","0.0608","0.0666","","","","","","1.051","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205555","11.0168","0.0006","10.3045","0.0006","14.9488","0.0009","90","","96.9769","0.0008","90","","1684.46","0.17","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Cl2 N6 O Pd -","- C12 H19 Cl2 N6 O Pd -","- C48 H76 Cl8 N24 O4 Pd4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0211","0.0195","","","0.0498","0.0509","","","","","","1.07","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205556","13.18","0.008","21.194","0.013","7.735","0.005","90","","95.299","0.007","90","","2151","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 N2 S6 -","- C44 H56 N2 S6 -","- C88 H112 N4 S12 -","2","0.5","","McEntee, Greg J.; Vilela, Filipe; Skabara, Peter J.; Anthopoulos, Thomas D.; Labram, John G.; Tierney, Steve; Harrington, Ross W.; Clegg, William","Self-assembly and charge transport properties of a benzobisthiazole end-capped with dihexyl thienothiophene units","Journal of Materials Chemistry","2011","21","7","2091","","10.1039/c0jm02607g","","","0.6889","synchrotron","","0.0723","0.0499","","","0.1219","0.1338","","","","","","1.032","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205557","11.2179","0.0007","14.6724","0.001","17.2101","0.0012","90","","94.816","0.002","90","","2822.7","0.3","150","","150","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N4 O4 Zr -","- C36 H24 N4 O4 Zr -","- C144 H96 N16 O16 Zr4 -","4","1","","Kathirgamanathan, Poopathy; Surendrakumar, Sivagnanasundram; Antipan-Lara, Juan; Ravichandran, Seenivasagam; Reddy, Vanga R.; Ganeshamurugan, Subramaniam; Kumaraverl, Muttulingam; Arkley, Vincent; Blake, Alexander J.; Bailey, Daniel","Discovery of two new phases of zirconium tetrakis(8-hydroxyquinolinolate): synthesis, crystal structure and their electron transporting characteristics in organic light emitting diodes (OLEDs)","Journal of Materials Chemistry","2011","21","6","1762","","10.1039/c0jm02644a","","","0.71073","MoKα","","0.0603","0.0368","","","0.0788","0.0864","","","","","","0.95","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205558","20.112","0.0007","8.292","0.0003","17.3925","0.0006","90","","90","","90","","2900.52","0.18","300","","300","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C36 H24 N4 O4 Zr -","- C36 H24 N4 O4 Zr -","- C144 H96 N16 O16 Zr4 -","4","1","","Kathirgamanathan, Poopathy; Surendrakumar, Sivagnanasundram; Antipan-Lara, Juan; Ravichandran, Seenivasagam; Reddy, Vanga R.; Ganeshamurugan, Subramaniam; Kumaraverl, Muttulingam; Arkley, Vincent; Blake, Alexander J.; Bailey, Daniel","Discovery of two new phases of zirconium tetrakis(8-hydroxyquinolinolate): synthesis, crystal structure and their electron transporting characteristics in organic light emitting diodes (OLEDs)","Journal of Materials Chemistry","2011","21","6","1762","","10.1039/c0jm02644a","","x-ray","0.71073","MoKα","","0.0307","0.0253","","","0.0596","0.0616","","","","","","0.99","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205559","7.8299","0.0006","11.0435","0.0003","12.3544","0.0009","90","","90","","90","","1068.28","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Ru -","- C13 H16 Ru -","- C52 H64 Ru4 -","4","1","","Jipa, Ilona; Danova, Katya; Popovska, Nadejda; Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak; Cremer, Till; Maier, Florian; Marbach, Hubertus; Steinrück, Hans-Peter; Heinemann, Frank W.; Zenneck, Ulrich","Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands","Journal of Materials Chemistry","2011","21","9","3014","","10.1039/c0jm02652b","","","0.71073","MoKα","","0.0299","0.0278","","","0.0672","0.068","","","","","","1.205","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205560","7.6694","0.0004","8.274","0.0004","8.5494","0.0002","91.821","0.003","108.474","0.004","93.874","0.003","512.57","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 Ru -","- C13 H16 Ru -","- C26 H32 Ru2 -","2","1","","Jipa, Ilona; Danova, Katya; Popovska, Nadejda; Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak; Cremer, Till; Maier, Florian; Marbach, Hubertus; Steinrück, Hans-Peter; Heinemann, Frank W.; Zenneck, Ulrich","Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands","Journal of Materials Chemistry","2011","21","9","3014","","10.1039/c0jm02652b","","","0.71073","MoKα","","0.0293","0.0231","","","0.05","0.0514","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205561","5.9529","0.0001","7.9576","0.0005","19.791","0.001","90","","90","","90","","937.52","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Ru -","- C12 H14 Ru -","- C48 H56 Ru4 -","4","1","","Jipa, Ilona; Danova, Katya; Popovska, Nadejda; Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak; Cremer, Till; Maier, Florian; Marbach, Hubertus; Steinrück, Hans-Peter; Heinemann, Frank W.; Zenneck, Ulrich","Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands","Journal of Materials Chemistry","2011","21","9","3014","","10.1039/c0jm02652b","","","0.71073","MoKα","","0.0118","0.0114","","","0.0265","0.0266","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205562","9.4415","0.0003","8.0573","0.0003","8.1969","0.0003","90","","90.41","0.002","90","","623.55","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 S4 -","- C12 H10 O2 S4 -","- C24 H20 O4 S8 -","2","0.5","","Wijsboom, Yair Haim; Sheynin, Yana; Patra, Asit; Zamoshchik, Natalia; Vardimon, Ran; Leitus, Gregory; Bendikov, Michael","Tuning of electronic properties and rigidity in PEDOT analogs","Journal of Materials Chemistry","2011","21","5","1368","","10.1039/c0jm02679d","","","0.71073","MoKα","","0.0636","0.0628","","","0.13","0.1304","","","","","","1.373","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205563","8.1576","0.0004","13.1699","0.0013","15.4841","0.0009","78.71","0.007","80.782","0.005","88.271","0.006","1610.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 I4 O4 S12 -","- C20 H11 I4 O4 S12 -","- C40 H22 I8 O8 S24 -","2","1","","Lakhdar, Youssef; Mézière, Cécile; Zorina, Leokadiya; Giffard, Michel; Batail, Patrick; Canadell, Enric; Auban-Senzier, Pascale; Pasquier, Claude; Jérome, Denis; Náfrádi, Bálint; Fórró, László","Dual [proton]/[hole] mixed valence in a molecular metal: balancing chemical activity in the solid state by tapping into a molecular hole reservoir","Journal of Materials Chemistry","2011","21","5","1516","","10.1039/c0jm02897e","","","0.71073","MoKα","","0.0563","0.027","","","0.0489","0.0557","","","","","","1.008","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205564","5.0316","0.001","6.4982","0.0013","10.301","0.002","90","","91.56","0.03","90","","336.68","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H2 N4 -","- C2 H2 N4 -","- C8 H8 N16 -","4","1","","Qi, Cai; Li, Sheng-Hua; Li, Yu-Chuan; Wang, Yuan; Chen, Xu-Kun; Pang, Si-Ping","A novel stable high-nitrogen energetic material: 4,4′-azobis(1,2,4-triazole)","Journal of Materials Chemistry","2011","21","9","3221","","10.1039/c0jm02970j","","","0.71073","MoKα","","0.06","0.0513","","","0.1512","0.1572","","","","","","1.14","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205565","7.2256","0.0002","11.6583","0.0004","12.7817","0.0004","90","","90","","90","","1076.71","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- B5 Cs2 Li3 O10 -","- B5 Cs2 Li3 O10 -","- B20 Cs8 Li12 O40 -","4","0.5","","Yang, Yun; Pan, Shilie; Hou, Xueling; Wang, Chuanyi; Poeppelmeier, Kenneth R.; Chen, Zhaohui; Wu, Hongping; Zhou, Zhongxiang","A congruently melting and deep UV nonlinear optical material: Li3Cs2B5O10","Journal of Materials Chemistry","2011","21","9","2890","","10.1039/c0jm03187a","","","0.71073","MoKα","","0.0248","0.0246","","","0.0586","0.0587","","","","","","1.036","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205566","10.9816","0.0002","18.0168","0.0003","26.2966","0.0006","90","","106.586","0.001","90","","4986.39","0.17","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Cl N5 O2 -","- C29 H22 Cl N5 O2 -","- C232 H176 Cl8 N40 O16 -","8","2","","Guo, Jixi; Jia, Dianzeng; Liu, Lang; Yuan, Hui; Li, Feng","Solid-state photochromism of pyrazolones with highly improved sensitivity, fatigue resistance and reversible fluorescent switching properties","Journal of Materials Chemistry","2011","21","9","3210","","10.1039/c0jm03216f","","","0.71073","MoKα","","0.0748","0.0486","","","0.1215","0.1548","","","","","","1.112","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205567","12.7246","0.0008","12.41","0.0008","24.2921","0.0015","90","","90","","90","","3836","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N8 O8 S2 -","- C30 H54 N8 O8 S2 -","- C120 H216 N32 O32 S8 -","4","0.5","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0389","0.0343","","","0.0941","0.0994","","","","","","1.047","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205568","7.67","0.0006","9.2621","0.0007","29.002","0.002","90","","94.113","0.001","90","","2055","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 N8 O8 S2 -","- C32 H56 N8 O8 S2 -","- C64 H112 N16 O16 S4 -","2","0.5","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0421","0.0374","","","0.1013","0.1056","","","","","","1.063","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205569","7.4293","0.0017","12.136","0.003","16.373","0.004","71.479","0.004","88.241","0.004","87.373","0.004","1398.1","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H33 N8.5 O7.5 S2 -","- C19.5 H33 N8.5 O7.5 S2 -","- C39 H66 N17 O15 S4 -","2","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0509","0.047","","","0.1283","0.1321","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205570","7.3764","0.0006","12.1391","0.001","16.7417","0.0017","71.392","0.001","85.142","0.002","86.887","0.001","1415","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N13 O14 S4 -","- C38 H48 N13 O14 S4 -","- C38 H48 N13 O14 S4 -","1","0.5","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.1394","0.1209","","","0.3826","0.402","","","","","","1.783","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205571","13.1747","0.001","27.939","0.002","12.1826","0.001","90","","90","","90","","4484.3","0.6","200","2","200","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C17 H30 N4 O5 S -","- C17 H30 N4 O5 S -","- C136 H240 N32 O40 S8 -","8","","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0418","0.0371","","","0.1042","0.1096","","","","","","1.048","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205572","7.372","0.0016","16.324","0.004","24.346","0.005","72.595","0.004","89.618","0.004","85.998","0.004","2788.5","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H64 N17 O15 S4 -","- C39 H64 N17 O15 S4 -","- C78 H128 N34 O30 S8 -","2","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.1498","0.0713","","","0.1732","0.2144","","","","","","1.042","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205573","7.5142","0.0004","24.1429","0.0014","17.5439","0.001","90","","90","","90","","3182.7","0.3","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H42 N7 O10 S2 -","- C24 H42 N7 O10 S2 -","- C96 H168 N28 O40 S8 -","4","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0417","0.0386","","","0.1096","0.1127","","","","","","1.075","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205574","7.2608","0.0003","23.5817","0.0011","18.4741","0.0009","90","","90","","90","","3163.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H38 N9 O9 S2 -","- C23 H38 N9 O9 S2 -","- C92 H152 N36 O36 S8 -","4","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0464","0.0382","","","0.092","0.0964","","","","","","1.052","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205575","13.245","0.003","16.006","0.003","29.949","0.006","90","","93.84","0.03","90","","6335","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 Ir N4 -","- C39 H35 Ir N4 -","- C312 H280 Ir8 N32 -","8","1","","Peng, Tai; Yang, Yu; Bi, Hai; Liu, Yu; Hou, Zhaomin; Wang, Yue","Highly efficient white organic electroluminescence device based on a phosphorescent orange material doped in a blue host emitter","Journal of Materials Chemistry","2011","21","11","3551","","10.1039/c0jm03645e","","","0.71073","MoKα","","0.0492","0.0373","","","0.0627","0.0661","","","","","","1.022","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205576","8.3907","0.0004","30.6491","0.0014","7.7677","0.0004","90","","105.268","0.001","90","","1927.09","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O S -","- C25 H16 N2 O S -","- C100 H64 N8 O4 S4 -","4","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.083","0.0466","","","0.1225","0.1461","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205577","6.9711","0.0014","11.626","0.002","16.44","0.003","90","","90.97","0.03","90","","1332.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C60 H56 N8 O4 S4 -","4","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.0864","0.0601","","","0.1732","0.1886","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205578","8.832","0.0006","9.9071","0.0007","11.6033","0.0008","84.83","0.001","84.418","0.001","79.062","0.001","989.44","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C50 H36 N4 O2 S2 -","2","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.1083","0.0496","","","0.1039","0.1258","","","","","","0.966","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205579","9.949","0.002","15.759","0.003","13.031","0.003","90","","109.1","0.03","90","","1930.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 O S -","- C25 H16 N2 O S -","- C100 H64 N8 O4 S4 -","4","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.06","0.0408","","","0.1032","0.1116","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205580","20.542","0.004","7.2295","0.0014","13.494","0.003","90","","98.92","0.03","90","","1979.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C100 H72 N8 O4 S4 -","4","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.1105","0.0577","","","0.1239","0.1428","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205581","9.7121","0.0014","14.214","0.002","15.29","0.002","90","","104.906","0.002","90","","2039.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(2-(4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)ethyl)amine","","- C15 H15 F9 N10 -","- C15 H15 F9 N10 -","- C60 H60 F36 N40 -","4","1","","Garg, Sonali; Shreeve, Jean'ne M.","Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials","Journal of Materials Chemistry","2011","21","13","4787","","10.1039/c0jm04229c","","","0.71073","MoKα","","0.0614","0.0418","","","0.0913","0.1008","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205582","11.8876","0.0011","11.8876","0.0011","8.2416","0.0009","90","","90","","90","","1164.7","0.2","223","2","223","2","","","","","","","","4","I -4","I -4","82","","? 1,1'-(2,2-bis((4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)methyl) propane-1,3-diyl)bis(4-(trifluoromethyl)-1H-1,2,3-triazole)?","","- C17 H12 F12 N12 -","- C17 H12 F12 N12 -","- C34 H24 F24 N24 -","2","0.25","","Garg, Sonali; Shreeve, Jean'ne M.","Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials","Journal of Materials Chemistry","2011","21","13","4787","","10.1039/c0jm04229c","","","1.54178","CuKα","","0.0608","0.0607","","","0.1553","0.1554","","","","","","1.046","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205583","12.1042","0.001","12.6256","0.001","15.2007","0.0011","110.722","0.002","111.88","0.002","95.796","0.002","1942.3","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H57 N3 O6 -","- C42 H57 N3 O6 -","- C84 H114 N6 O12 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.1291","0.0793","","","0.1976","0.2255","","","","","","1.034","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205584","10.156","0.002","9.334","0.002","8.385","0.002","90","","94.4","0.005","90","","792.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.1244","0.0795","","","0.1516","0.1674","","","","","","1.1","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205585","7.4542","0.0013","9.707","0.0016","13.61","0.002","100.688","0.002","96.117","0.003","90.07","0.003","962","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0745","0.0629","","","0.1722","0.179","","","","","","1.097","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205586","8.9392","0.0004","10.5683","0.0005","12.361","0.0006","71.167","0.001","75.904","0.001","67.648","0.001","1012.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C40 H48 N4 O8 S4 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0332","0.032","","","0.0866","0.0877","","","","","","1.035","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205587","11.6939","0.0008","10.6964","0.0007","8.8496","0.0006","90","","93.17","0.002","90","","1105.24","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.052","0.0482","","","0.126","0.1294","","","","","","1.056","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205588","8.5009","0.0006","10.6106","0.0007","13.78","0.0009","90","","101.651","0.001","90","","1217.34","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N4 O6 -","- C26 H30 N4 O6 -","- C52 H60 N8 O12 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.061","0.0547","","","0.1652","0.1709","","","","","","1.04","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205589","12.5672","0.0016","8.3029","0.001","8.2837","0.0011","90","","94.708","0.003","90","","861.44","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0529","0.0491","","","0.1222","0.1244","","","","","","1.13","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205590","6.9358","0.0005","7.3424","0.0004","16.7449","0.0009","90.167","0.007","100.702","0.005","116.683","0.002","745.05","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","cinnamic acid 3-nitrobenzamide co-crystal","cinnamic acid 3-nitrobenzamide co-crystal","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Urbanus, Johan; Roelands, C. P. Mark; Mazurek, Jaroslaw; Verdoes, Dirk; ter Horst, Joop H.","Electrochemically induced co-crystallization for product removal","CrystEngComm","2011","13","8","2817","","10.1039/c0ce00284d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3.202","","","","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205591","9.3699","0.0014","32.679","0.005","10.0882","0.0015","90","","93.835","0.004","90","","3082.1","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4- dioxaspiro(4,5)decane NMF solvate","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMF solvate","","- C36 H39 N O5 -","- C36 H39 N O5 -","- C144 H156 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0603","0.0398","","","0.0785","0.0851","","","","","","1.085","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205592","9.3986","0.001","33.587","0.004","10.0932","0.001","90","","94.981","0.002","90","","3174.1","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMA solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0813","0.0469","","","0.0924","0.104","","","","","","1.133","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205593","9.65","0.0012","10.6523","0.0012","29.701","0.004","90","","90","","90","","3053.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMF solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0398","0.032","","","0.0729","0.0767","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205594","9.4536","0.0019","9.946","0.002","17.296","0.004","98.88","0.03","98.57","0.03","91.31","0.03","1587.1","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMA solvate","","- C38 H43 N O5 -","- C38 H43 N O5 -","- C76 H86 N2 O10 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0285","0.0266","","","0.0659","0.0676","","","","","","1.061","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205595","18.078","0.006","37.848","0.01","15.839","0.005","90","","123.46","0.004","90","","9041","5","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H35 Cl2 N6 O8 S8 Zn -","- C35.5 H30 Cl2 N6 O8 S8 Zn -","- C284 H240 Cl16 N48 O64 S64 Zn8 -","8","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1216","0.098","","","0.1642","0.1764","","","","","","0.948","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205596","16.611","0.0016","15.9977","0.0015","15.7389","0.0015","90","","90","","90","","4182.4","0.7","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H33 N5 O6 S8 Zn -","- C40 H29 N5 O6 S8 Zn -","- C160 H116 N20 O24 S32 Zn4 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.7107","MoKα","","0.0688","0.0589","","","0.125","0.13","","","","","","1.088","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205597","25.41","0.004","11.2071","0.0015","23.501","0.004","90","","96.552","0.002","90","","6648.7","1.8","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H44 Cl8 N6 O2 S12 Zn3 -","- C50 H36 Cl8 N6 O2 S12 Zn3 -","- C200 H144 Cl32 N24 O8 S48 Zn12 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1176","0.1033","","","0.1797","0.1862","","","","","","1.185","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205598","25.617","0.005","11.331","0.002","24.005","0.005","90","","94.519","0.003","90","","6946","2","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C55.5 H54 Cl6 N6 O1.5 S12 Zn3 -","- C55.5 H28 Cl6 N6 O1.5 S12 Zn3 -","- C222 H112 Cl24 N24 O6 S48 Zn12 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1267","0.1003","","","0.2698","0.2934","","","","","","1.153","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205599","9.982","0.005","14.264","0.006","14.747","0.007","90","","101.191","0.007","90","","2059.8","1.7","223","2","223","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 Cl2 N4 O8 S8 Zn -","- C36 H32 Cl2 N4 O8 S8 Zn -","- C72 H64 Cl4 N8 O16 S16 Zn2 -","2","0.5","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1106","0.0782","","","0.153","0.1708","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205600","8.6798","0.0007","9.9988","0.0008","13.7746","0.001","99.506","0.001","101.962","0.001","101.479","0.001","1119.24","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 F12 N10 Sb2 -","- C38 H46 Ag2 F12 N10 Sb2 -","- C38 H46 Ag2 F12 N10 Sb2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.028","0.027","","","0.064","0.0645","","","","","","1.165","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205601","8.697","0.0005","9.7684","0.0006","13.5891","0.0008","98.38","0.001","101.463","0.001","103.397","0.001","1078.16","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 F12 N10 P2 -","- C38 H46 Ag2 F12 N10 P2 -","- C38 H46 Ag2 F12 N10 P2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0291","0.0275","","","0.0692","0.0701","","","","","","1.066","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205602","8.8539","0.0014","9.3957","0.0015","12.052","0.0019","92.737","0.002","102.777","0.002","102.993","0.002","947.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 F12 N8 P2 -","- C34 H40 Ag2 F12 N8 P2 -","- C34 H40 Ag2 F12 N8 P2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0637","0.055","","","0.1371","0.1424","","","","","","1.156","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205603","8.5514","0.0007","9.6731","0.0008","11.5283","0.0009","94.175","0.001","93.696","0.001","107.143","0.001","905.12","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C34 H40 Ag2 N10 O6 -","- C34 H40 Ag2 N10 O6 -","- C34 H40 Ag2 N10 O6 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0642","0.0611","","","0.1576","0.1608","","","","","","1.077","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205604","9.054","0.01","10.406","0.011","10.574","0.011","69.008","0.016","77.512","0.017","82.171","0.017","906.2","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C19 H23 Ag N4 O2 -","- C19 H23 Ag N4 O2 -","- C38 H46 Ag2 N8 O4 -","2","1","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0738","0.064","","","0.1598","0.1653","","","","","","1.087","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205605","7.629","0.0015","18.696","0.004","13.297","0.003","90","","114.05","0.03","90","","1731.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","work","","","- C17 H20 Ag Cl N4 -","- C17 H20 Ag Cl N4 -","- C68 H80 Ag4 Cl4 N16 -","4","1","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0651","0.0511","","","0.1155","0.1227","","","","","","1.09","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205606","4.8616","0.0006","9.1187","0.0011","13.2712","0.0016","90","","90","","90","","588.33","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","","- C3 H9 N O5 -","- C3 H9 N O5 -","- C12 H36 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0297","0.0294","","","0.0777","0.0782","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205607","7.2854","0.0004","8.0045","0.0005","9.6698","0.0006","79.485","0.001","72.238","0.001","87.275","0.001","527.99","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","glycine hydrogen peroxide sesquisolvate","glycine hydrogen peroxide sesquisolvate","","- C4 H16 N2 O10 -","- C4 H16 N2 O10 -","- C8 H32 N4 O20 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0315","0.0291","","","0.0812","0.0828","","","","","","1.048","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205608","8.0479","0.0014","9.6064","0.0017","9.7464","0.0017","81.813","0.003","81.415","0.002","88.676","0.003","737.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","2-aminobutyric acid hydrogen peroxide sesquisolvate","2-aminobutyric acid hydrogen peroxide sesquisolvate","","- C8 H24 N2 O10 -","- C8 H24 N2 O10 -","- C16 H48 N4 O20 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0404","0.0349","","","0.0908","0.094","","","","","","1.073","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205609","10.0728","0.0007","7.394","0.0006","12.194","0.0007","90","","91.839","0.003","90","","907.72","0.11","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","","- C6 H16 N O4.5 -","- C6 H16 N O4.5 -","- C24 H64 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0351","0.0295","","","0.0671","0.0691","","","","","","1.045","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7205610","10.0268","0.0016","7.2283","0.0012","14.15","0.002","90","","92.78","0.003","90","","1024.3","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0364","0.0315","","","0.0788","0.0809","","","","","","1.076","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7205611","6.129","0.003","6.387","0.003","17.177","0.007","90","","90","","90","","672.4","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0382","0.0372","","","0.092","0.0928","","","","","","1.179","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205612","8.7005","0.0019","5.9331","0.0013","10.929","0.002","90","","94.65","0.004","90","","562.3","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C18 H30 N2 O14 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0481","0.0419","","","0.0951","0.0982","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205613","6.8875","0.0011","9.5679","0.0016","10.576","0.0018","90","","101.842","0.002","90","","682.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-aminopropanoic acid hydrogen peroxide disolvate","3-aminopropanoic acid hydrogen peroxide disolvate","","- C3 H11 N O6 -","- C3 H11 N O6 -","- C12 H44 N4 O24 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0309","0.0285","","","0.0759","0.0772","","","","","","1.077","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205614","9.906","0.003","7.645","0.002","11.427","0.003","90","","98.162","0.004","90","","856.6","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","","- C6 H15 N O4 -","- C6 H15 N O4 -","- C24 H60 N4 O16 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0276","0.027","","","0.0725","0.0728","","","","","","1.091","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205615","9.868","0.002","6.089","0.001","12.466","0.002","90","","108.14","0.03","90","","711.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isoquinolinone","Isoquinolin-3(2H)-one","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0816","0.0661","","","0.1917","0.2018","","","","","","1.113","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205616","7.102","0.006","7.909","0.006","9.35","0.005","97.37","0.03","95.76","0.03","101.14","0.03","506.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.112","0.0482","","","0.1205","0.1451","","","","","","0.817","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205617","14.166","0.003","9.432","0.002","20.139","0.004","90","","91.88","0.02","90","","2689.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one).HOAc","","- C35 H29 N2 O5 -","- C34 H25 N2 O3.5 -","- C136 H100 N8 O14 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1034","0.0593","","","0.1505","0.1667","","","","","","1.067","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205618","27.1065","0.0012","9.2347","0.0004","16.4901","0.0008","90","","115.402","0.001","90","","3728.7","0.3","286","2","286","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H36 N2 O4 -","- C192 H144 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0717","0.0416","","","0.0984","0.1164","","","","","","1.036","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205619","26.761","0.008","9.111","0.003","16.998","0.006","90","","114.443","0.009","90","","3773","2","286","2","286","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol: 2(dimer of Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H22 N2 O4 -","- C192 H88 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.2198","0.0879","","","0.2394","0.3502","","","","","","0.926","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205620","25.4736","0.0009","8.5626","0.0003","16.9318","0.0006","90","","90","","90","","3693.2","0.2","260","2","260","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H36 N2 O4 -","- C192 H144 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0716","0.042","","","0.1009","0.1214","","","","","","1.008","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205621","25.479","0.003","8.1154","0.0008","17.987","0.002","90","","90","","90","","3719.2","0.7","286","2","286","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H22 N2 O4 -","- C192 H88 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1681","0.0901","","","0.2565","0.3356","","","","","","1.077","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205622","13.372","0.003","7.167","0.001","28.248","0.006","90","","108.79","0.03","90","","2562.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexane-1,2,4,5-tetracarboxylic acid:2(Isoquinolin-3(2H)-one),H2O","","- C28 H28 N2 O11 -","- C28 H28 N2 O11 -","- C112 H112 N8 O44 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.113","0.0501","","","0.1242","0.1428","","","","","","0.925","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205623","5.728","0.001","22.789","0.004","11.111","0.002","90","","116.9","0.03","90","","1293.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-benzenediol:Isoquinolin-3(2H)-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1014","0.0511","","","0.1478","0.1748","","","","","","0.847","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205624","20.0585","0.0004","9.71812","0.00017","13.84077","0.00026","90","","90","","90","","2697.99","0.09","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","from C:/data/powder/koshima_ipbp/irr/rietveld/ipbp_irr_rrr.cif","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Fujii, Kotaro; Uekusa, Hidehiro; Fukano, Michitaro; Koshima, Hideko","Metastable polymorphic form of isopropylbenzophenone derivative directly obtained by the solid-state photoreaction investigated by ab initio powder X-ray diffraction analysis","CrystEngComm","2011","13","9","3197","","10.1039/c0ce00500b","powder diffraction","x-ray","1.19751","","","","","","","","","0.0957","","4.53","","","","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205625","7.9787","0.0002","8.0272","0.0002","15.4271","0.0005","92.228","0.002","97.055","0.002","119.405","0.001","848.61","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","orange polymorph","","","- C24 H16 O4 -","- C24 H16 O4 -","- C48 H32 O8 -","2","1","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.0405","0.0345","","","0.0885","0.0977","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205626","7.986","0.0002","7.0973","0.0002","15.2269","0.0004","90","","100.144","0.001","90","","849.56","0.04","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","yellow polymorph","","","- C24 H16 O4 -","- C24 H16 O4 -","- C48 H32 O8 -","2","0.5","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.0254","0.0253","","","0.0671","0.0672","","","","","","1.041","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205627","7.5043","0.0007","7.8779","0.0007","8.3841","0.0007","83.864","0.006","79.848","0.007","61.879","0.006","430.14","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 O4 -","- C24 H14 O4 -","- C24 H14 O4 -","1","0.5","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.115","0.0579","","","0.133","0.1619","","","","","","1.017","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205628","14.4679","0.0009","15.7447","0.0007","15.7561","0.0009","99.217","0.003","108.401","0.002","112.951","0.002","2966.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 N6 O20 S4 -","- C64 H56 N6 O20 S4 -","- C128 H112 N12 O40 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1381","0.0857","","","0.1791","0.2002","","","","","","1.041","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205629","16.5101","0.0005","17.2117","0.0008","18.3538","0.0009","98.677","0.002","115.325","0.002","105.537","0.002","4325.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H62.5 N9 O32.8 S4 -","- C82 H62.5 N9 O32.862 S4 -","- C164 H125 N18 O65.724 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1465","0.1051","","","0.2304","0.2496","","","","","","1.13","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205630","15.7679","0.0004","19.3917","0.0004","20.0469","0.0007","67.989","0.002","68.407","0.001","73.523","0.001","5208","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H76.54 N12 O34.01 S4 -","- C100 H76.535 N12 O34.012 S4 -","- C200 H153.07 N24 O68.024 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1193","0.1015","","","0.2637","0.2752","","","","","","1.091","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205631","14.959","0.0003","17.5","0.0005","24.004","0.0007","71.799","0.002","85.778","0.002","71.804","0.001","5668.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H111 Al N8 O56.95 S8 -","- C104 H111 Al N8 O56.948 S8 -","- C208 H222 Al2 N16 O113.896 S16 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1247","0.0798","","","0.1715","0.1909","","","","","","1.029","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205632","7.102","0.0002","8.033","0.0002","11.9154","0.0003","95.252","0.001","104.65","0.001","99.577","0.001","642.12","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H13 N O6 S -","- C12 H13 N O6 S -","- C24 H26 N2 O12 S2 -","2","2","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0282","0.0268","","","0.0706","0.0801","","","","","","1.067","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205633","7.075","0.0003","8.3144","0.0004","11.1366","0.0005","94.937","0.003","102.315","0.003","102.312","0.003","619.34","0.05","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","1","1","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0871","0.0543","","","0.1215","0.1391","","","","","","1.028","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205634","11.6327","0.0019","11.6594","0.0019","11.861","0.002","71.091","0.003","77.13","0.003","85.864","0.003","1483.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Cu Mo4 N12 O15 -","- C14 H24 Cu Mo4 N12 O15 -","- C28 H48 Cu2 Mo8 N24 O30 -","2","1","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.0948","0.0721","","","0.1744","0.1861","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205635","10.697","0.0011","14.3444","0.0015","17.8853","0.0019","90","","91.635","0.002","90","","2743.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Cu2 Mo8 N18 O31 -","- C24 H46 Cu2 Mo8 N18 O31 -","- C48 H92 Cu4 Mo16 N36 O62 -","2","0.5","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.054","0.0395","","","0.0898","0.0951","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205636","12.4369","0.0016","12.8417","0.0016","13.2691","0.0017","99.98","0.002","105.142","0.002","111.649","0.002","1813.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Cu Mo4 N12 O14 -","- C20 H34 Cu Mo4 N12 O14 -","- C40 H68 Cu2 Mo8 N24 O28 -","2","1","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.0599","0.0506","","","0.1228","0.1275","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205637","13.82","0.008","12.922","0.008","17.143","0.01","90","","112.83","0.008","90","","2822","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5 lutidinium pamoate THF solvate","","","- C34 H33 N O7 -","- C34.03 H25 N O7.01 -","- C136.12 H100 N4 O28.04 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.1676","0.1191","","","0.3655","0.4166","","","","","","1.426","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205638","13.895","0.0007","11.6523","0.0006","21.2968","0.0011","90","","102.131","0.001","90","","3371.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3 lutidine pamoate DMF solvate","","","- C40 H41 N3 O7 -","- C40 H41 N3 O7 -","- C160 H164 N12 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0529","0.0401","","","0.1024","0.1118","","","","","","1.058","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205639","13.9767","0.0012","12.6966","0.0011","16.7676","0.0015","90","","108.773","0.001","90","","2817.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0713","0.0443","","","0.1127","0.1265","","","","","","0.953","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205640","13.794","0.003","13.334","0.003","16.615","0.003","90","","110.507","0.003","90","","2862.3","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0877","0.0525","","","0.135","0.1589","","","","","","1.039","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205641","13.8721","0.0011","12.9708","0.001","16.9195","0.0014","90","","111.337","0.001","90","","2835.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0574","0.0438","","","0.1149","0.1254","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205642","13.661","0.0019","13.7621","0.0019","16.906","0.002","90","","112.929","0.002","90","","2927.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3 lutidinium pamoate NMP solvate","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C140 H136 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0838","0.0597","","","0.1615","0.1812","","","","","","1.071","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205643","7.6968","0.0008","9.0998","0.0009","21.112","0.002","82.041","0.001","86.546","0.001","79.883","0.001","1440.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,4 lutidinium pamoate NMP solvate","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C70 H68 N4 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0536","0.0471","","","0.1216","0.1285","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205644","7.637","0.0006","10.423","0.0008","20.033","0.0016","89.292","0.001","85.445","0.001","74.644","0.001","1532.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidinium pamoate NMP solvate","","","- C28 H24.5 N O7 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0499","0.0417","","","0.1175","0.1225","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205645","14.4128","0.0007","24.7372","0.0011","16.132","0.0007","90","","91.63","0.001","90","","5749.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pamoic acid NMP solvate","","","- C33 H34 N2 O8 -","- C33 H34 N2 O8 -","- C264 H272 N16 O64 -","8","2","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0719","0.0404","","","0.0796","0.0918","","","","","","0.905","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205646","7.6795","0.0014","10.384","0.002","20.335","0.004","88.829","0.002","83.31","0.002","74.932","0.002","1555.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidinium pamoate NMP solvate","","","- C28 H24.5 N O7 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0537","0.0446","","","0.1325","0.1384","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205647","26.404","0.002","4.7782","0.0004","24.059","0.002","90","","115.175","0.002","90","","2747","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(2-picoline) pamoaic acid co-crystal","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C140 H120 N8 O24 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0532","0.0401","","","0.097","0.1064","","","","","","1.02","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205648","9.5321","0.0009","10.0301","0.001","14.9869","0.0015","81.54","0.001","87.445","0.001","87.28","0.001","1414.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(3-picolinium) pamoate","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C70 H60 N4 O12 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0455","0.0372","","","0.0957","0.1025","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205649","13.8694","0.0011","12.7194","0.001","16.5587","0.0013","90","","111.16","0.001","90","","2724.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-picolinium pamoate THF solvate","","","- C33 H31 N O7 -","- C33 H31 N O7 -","- C132 H124 N4 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0568","0.0421","","","0.1081","0.1188","","","","","","1.048","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205650","12.3324","0.0014","12.9301","0.0015","18.078","0.002","90","","99.542","0.002","90","","2842.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(4-picolinium) pamoate","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C140 H120 N8 O24 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0497","0.038","","","0.0959","0.1031","","","","","","1.067","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205651","14.108","0.002","11.5703","0.0018","21.107","0.003","90","","101.733","0.002","90","","3373.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(3-picolinium) pamoate 3-picoline co-crystal","","","- C41 H37 N3 O6 -","- C41 H37 N3 O6 -","- C164 H148 N12 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0584","0.0402","","","0.0948","0.1059","","","","","","1.032","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205652","8.897","0.0009","13.7462","0.0013","21.261","0.002","90","","95.519","0.001","90","","2588.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethylammonium pamoate DMF solvate","","","- C28 H30 N2 O7 -","- C28 H30 N2 O7 -","- C112 H120 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0788","0.0468","","","0.1034","0.1222","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205653","14.536","0.003","5.2295","0.0005","6.4483","0.0008","90","","100.415","0.013","90","","482.1","0.13","294","","294","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C4 H5 Ca0.5 O2 -","- C4 H5 Ca0.5 O2 -","- C16 H20 Ca2 O8 -","4","1","","Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.","Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium","CrystEngComm","2011","13","9","3146","","10.1039/c0ce00535e","","","0.71073","MoKα","","0.0455","0.0333","","0.0594","0.042","0.042","","","","","","1.0087","","","","has coordinates,has disorder","288252","2023-12-12","14:26:25",""
"7205654","17.0609","0.001","8.1048","0.001","9.1311","0.001","90","","101.23","0.01","90","","1238.4","0.2","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Mg O7 -","- C8 H16 Mg O7 -","- C32 H64 Mg4 O28 -","4","1","","Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.","Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium","CrystEngComm","2011","13","9","3146","","10.1039/c0ce00535e","","","0.71073","MoKα","","0.1648","0.0478","","0.0855","0.0351","0.0351","","","","","","1.1799","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7205655","10.8413","0.0004","10.7317","0.0003","12.404","0.0004","90","","112.033","0.004","90","","1337.75","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H16 N4 O12 -","- C32 H16 N4 O12 -","- C64 H32 N8 O24 -","2","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","1.54184","CuKα","","0.0622","0.0388","","","0.0924","0.104","","","","","","0.833","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205656","11.982","0.003","21.272","0.006","12.948","0.003","90","","110.586","0.003","90","","3089.5","1.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","DMF","","","- C35 H23 N5 O13 -","- C35 H23 N5 O13 -","- C140 H92 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0456","0.0392","","","0.105","0.1094","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205657","11.918","0.003","21.169","0.005","13.55","0.003","90","","110.775","0.002","90","","3196.3","1.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H25 N5 O13 -","- C36 H25 N5 O13 -","- C144 H100 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0537","0.0526","","","0.1573","0.1582","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205658","12.2118","0.0013","21.065","0.002","13.1639","0.0015","90","","110.508","0.002","90","","3171.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C74 H50 N10 O26 -","- C74 H50 N10 O26 -","- C148 H100 N20 O52 -","2","0.5","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0605","0.0462","","","0.1005","0.1068","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205659","11.6967","0.0012","13.138","0.0013","13.3989","0.0013","92.294","0.001","96.576","0.001","112.537","0.001","1881.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Nitrobenzene solvate","","","- C44 H26 N6 O16 -","- C44 H26 N6 O16 -","- C88 H52 N12 O32 -","2","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0383","0.0336","","","0.0852","0.0892","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205660","32.461","0.012","18.024","0.006","19.748","0.007","90","","119.964","0.009","90","","10010","6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H10 Cu2 N2 O14 -","- C30 H10 Cu2 N2 O14 -","- C180 H60 Cu12 N12 O84 -","6","0.75","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","0.71073","MoKα","","0.1634","0.0819","","","0.1423","0.1568","","","","","","0.951","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205661","15.2248","0.0003","36.4392","0.0007","10.3036","0.0002","90","","90","","90","","5716.23","0.19","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C38 H28 Cu2 N4 O14 -","- C38 H28 Cu2 N4 O14 -","- C152 H112 Cu8 N16 O56 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","1.54178","CuKα","","0.0452","0.0375","","","0.1018","0.1057","","","","","","1.032","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205662","14.981","0.002","36.371","0.005","10.922","0.002","90","","90","","90","","5951.1","1.6","183","2","183","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C44 H28 Cu2 N4 O12 -","- C44 H28 Cu2 N4 O12 -","- C176 H112 Cu8 N16 O48 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","0.71073","MoKα","","0.0491","0.0429","","","0.1238","0.1285","","","","","","1.039","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205663","4.9179","0.0005","5.4897","0.0007","9.5322","0.0011","92.426","0.009","102.087","0.009","94.81","0.009","250.28","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","1","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0629","0.0375","","","","0.0737","","","","","","0.804","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205664","4.9168","0.0005","5.4373","0.0005","14.7869","0.0014","81.199","0.008","83.738","0.008","88.135","0.008","388.28","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N O6 -","- C6 H8 N O6 -","- C12 H16 N2 O12 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0918","0.0568","","","","0.1808","","","","","","0.826","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205665","11.4966","0.0004","5.1521","0.0002","17.0937","0.0006","90","","96.315","0.003","90","","1006.34","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C32 H40 N8 O24 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.084","0.0491","","","","0.105","","","","","","0.973","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205666","4.9819","0.0005","5.3114","0.0007","14.748","0.002","89.543","0.012","86.238","0.01","84.973","0.01","387.91","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N O6 -","- C6 H8 N O6 -","- C12 H16 N2 O12 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0715","0.0419","","","","0.1169","","","","","","0.788","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205667","9.41","0.001","13.033","0.001","15.183","0.002","90","","103.112","0.009","90","","1813.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43 N3 O8 S -","- C41 H43 N3 O8 S -","- C82 H86 N6 O16 S2 -","2","1","","Altamura, Maria; Guidi, Antonio; Jierry, Loïc; Paoli, Paola; Rossi, Patrizia","Uncommon crystal motif of brucine in its diastereomeric salt with (11-oxo-11H-dibenzo[b,f][1,4]thiazepin-10-yl)-acetic acid: a case of possible crystallization-induced dynamic resolution","CrystEngComm","2011","13","7","2310","","10.1039/c0ce00595a","","","0.71073","MoKα","","0.0671","0.041","","","0.0763","0.0834","","","","","","0.84","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205668","6.2214","0.0005","8.6255","0.0006","26.3909","0.0018","90","","93.039","0.004","90","","1414.21","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 F6 N2 O3 P -","- C10 H13 F6 N2 O3 P -","- C40 H52 F24 N8 O12 P4 -","4","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0347","0.0297","","","0.0871","0.1008","","","","","","1.14","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205669","5.9302","0.0004","8.368","0.0006","26.0876","0.0017","89.168","0.004","87.153","0.004","87.763","0.004","1291.88","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 B F4 N2 O3 -","- C10 H13 B F4 N2 O3 -","- C40 H52 B4 F16 N8 O12 -","4","2","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0769","0.0601","","","0.173","0.191","","","","","","1.057","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205670","10.812","0.002","11.241","0.002","13.008","0.002","88.651","0.004","86.423","0.004","73.822","0.004","1515.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F6 N4 O12 S2 -","- C22 H26 F6 N4 O12 S2 -","- C44 H52 F12 N8 O24 S4 -","2","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0701","0.0625","","","0.1924","0.1991","","","","","","1.128","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205671","30.056","0.006","5.1055","0.0009","20.239","0.004","90","","129.083","0.003","90","","2410.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Br N2 O3.5 -","- C10 H14 Br N2 O3.5 -","- C80 H112 Br8 N16 O28 -","8","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0424","0.0337","","","0.0817","0.088","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205672","12.873","0.002","15.947","0.003","16.881","0.003","90","","90.206","0.005","90","","3465.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).(phloroglucinol).4(H2O)","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol).4(H2O)","","- C36 H38 N4 O9 -","- C36 H30 N4 O9 -","- C144 H120 N16 O36 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1038","0.0637","","","0.1806","0.1999","","","","","","1.221","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205673","19.3013","0.0016","15.3054","0.0013","28.1176","0.0019","90","","122.935","0.004","90","","6971.4","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).3(phloroglucinol).4(H2O)","4(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).3(phloroglucinol).4(H2O)","","- C78 H74 N8 O17 -","- C78 H66 N8 O17 -","- C312 H264 N32 O68 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1256","0.0592","","","0.1616","0.1901","","","","","","1.018","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205674","8.6268","0.0009","9.6019","0.001","12.1252","0.0013","76.149","0.003","88.03","0.003","67.701","0.003","900.46","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)","(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.0617","0.0408","","","0.1282","0.1416","","","","","","0.978","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205675","12.091","0.002","14.993","0.003","22.115","0.004","90","","97.25","0.005","90","","3977","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).2(methoxyresorcinol).(H2O)","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).2(methoxyresorcinol).(H2O)","","- C22 H21 N2 O4.25 -","- C22 H20 N2 O4 -","- C176 H160 N16 O32 -","8","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1168","0.0808","","","0.2041","0.2245","","","","","","1.364","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205676","15.178","0.005","6.09","0.002","26.47","0.008","90","","102.28","0.01","90","","2390.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane","1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1758","0.0761","","","0.1718","0.2028","","","","","","0.966","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205677","3.787","0.003","7.549","0.005","11.992","0.008","74.198","0.008","88.428","0.007","85.816","0.007","329","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","1","0.5","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.6998","","","0.1625","0.1111","","","0.2526","0.2743","","","","","","1.168","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205678","7.5585","0.0004","27.376","0.0013","8.7184","0.0004","90","","115.492","0.002","90","","1628.39","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","1","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0191","0.0176","","","0.0415","0.042","","","","","","1.056","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205679","7.578","0.0015","27.411","0.006","8.7224","0.0017","90","","115.57","0.03","90","","1634.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","1","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0361","0.0286","","","0.0672","0.0695","","","","","","1.042","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205680","16.263","0.003","7.3876","0.0015","13.645","0.003","90","","99.33","0.03","90","","1617.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","0.5","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0267","0.0238","","","0.0643","0.0654","","","","","","1.066","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205681","22.841","0.003","22.841","0.003","15.503","0.003","90","","90","","90","","8088","2","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H57 Co Mo8 N16 O42 P V6 -","- C56 H56 Co Mo8 N16 O42 P V6 -","- C224 H224 Co4 Mo32 N64 O168 P4 V24 -","4","0.25","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0358","0.0293","","","0.0779","0.0811","","","","","","1.061","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205682","11.467","0.002","12.372","0.003","16.851","0.003","70.23","0.03","81.19","0.03","88.27","0.03","2222.6","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 Mo10 N16 Na2 O50 P4 -","- C56 H56 Mo10 N16 Na2 O50 P4 -","- C56 H56 Mo10 N16 Na2 O50 P4 -","1","0.5","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal–organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0703","0.0478","","","0.1225","0.1408","","","","","","1.088","","","","has coordinates","291143","2024-04-09","08:49:14",""
"7205683","12.578","0.003","15.148","0.003","16.389","0.003","95.96","0.03","110.13","0.03","102.95","0.03","2800.9","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H52 Cd Mo6 N8 O38 P4 -","- C28 H28 Cd Mo6 N8 O38 P4 -","- C56 H56 Cd2 Mo12 N16 O76 P8 -","2","1","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.1406","0.0789","","","0.167","0.2061","","","","","","1.058","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205684","17.11","0.002","17.11","0.002","10.74","0.002","90","","90","","90","","3144.2","0.8","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C6 H30 Co3 Mo4 N6 O28 P4 -","- C6 Co3 Mo4 N6 O28 P4 -","- C24 Co12 Mo16 N24 O112 P16 -","4","0.25","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0408","0.0358","","","0.0927","0.0951","","","","","","1.144","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205685","6.9147","0.0005","36.1972","0.0011","9.4766","0.0008","90","","92.126","0.003","90","","2370.3","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C108 H120 N8 O20 -","4","2","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Heterosynthon mediated tailored synthesis of pharmaceutical complexes: a solid-state NMR approach","CrystEngComm","2011","13","9","3213","","10.1039/c0ce00657b","","","0.71073","MoKα","","0.0749","0.0748","","0.0816","0.0806","0.0806","","","","","","0.94","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205686","12.4485","0.0007","12.3314","0.0006","17.4418","0.0009","90","","94.389","0.001","90","","2669.6","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cd N4 O4 -","- C28 H28 Cd N4 O4 -","- C112 H112 Cd4 N16 O16 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.067","0.0462","","","0.114","0.1266","","","","","","1.035","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205687","12.5219","0.0007","12.2292","0.0007","17.7853","0.001","90","","96.421","0.001","90","","2706.4","0.3","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cd N4 O4 -","- C30 H32 Cd N4 O4 -","- C120 H128 Cd4 N16 O16 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.083","0.0485","","","0.1086","0.1239","","","","","","1.022","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205688","8.7713","0.0008","18.1647","0.0016","15.8994","0.0014","90","","90.0041","","90","","2533.2","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 N5 O10 Zn2 -","- C49 H41 N5 O9.4 Zn2 -","- C98 H82 N10 O18.8 Zn4 -","2","0.5","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.0693","0.0528","","","0.148","0.1609","","","","","","1.09","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205689","15.3836","0.0007","21.5307","0.001","15.7987","0.0007","90","","96.401","0.001","90","","5200.2","0.4","185","2","185","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C50.75 H43.75 N4.25 O8.25 Zn2 -","- C50.75 H42 N4.25 O8.26 Zn2 -","- C203 H168 N17 O33.04 Zn8 -","4","0.5","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.0643","0.0511","","","0.1763","0.1861","","","","","","1.138","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205690","15.9388","0.0011","28.52","0.002","16.1837","0.0011","90","","105.714","0.001","90","","7081.7","0.8","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 Cd2 N9 O10 -","- C61 H44 Cd2 N9 O10 -","- C244 H176 Cd8 N36 O40 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.1599","0.0812","","","0.2564","0.3021","","","","","","1.062","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205691","14.7266","0.0006","7.6637","0.0003","16.2667","0.0007","90","","105.323","0.004","90","","1770.6","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N3 S -","- C8 H11 N3 S -","- C64 H88 N24 S8 -","8","2","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.7107","MoKα","","0.062","0.0531","","","0.1373","0.1486","","","","","","1.064","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205692","10.6285","0.0004","9.7517","0.0004","12.8232","0.0005","90","","109.712","0.001","90","","1251.19","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 N3 S -","- C11 H17 N3 S -","- C44 H68 N12 S4 -","4","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0494","0.0373","","","0.0922","0.0982","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205693","9.5098","0.0005","9.5098","0.0005","10.8333","0.0007","90","","90","","90","","979.72","0.1","200","","200","","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C6 H14 N4 S2 -","- C6 H14 N4 S2 -","- C24 H56 N16 S8 -","4","","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","x-ray","0.71073","MoKα","K-L~3~","0.0514","0.0296","","","0.0625","0.0685","","","","","","0.921","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205694","18.0632","0.0008","7.5649","0.0003","19.4089","0.0008","90","","116.084","0.001","90","","2382.03","0.17","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N4 S2 -","- C10 H14 N4 S2 -","- C80 H112 N32 S16 -","8","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0366","0.0296","","","0.0735","0.0769","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205695","9.4599","0.0006","9.5946","0.0006","11.0971","0.0007","78.984","0.001","66.485","0.001","65.045","0.001","837.03","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N4 S2 -","- C14 H22 N4 S2 -","- C28 H44 N8 S4 -","2","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0531","0.0392","","","0.0918","0.0986","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205696","5.798","0.002","9.447","0.004","11.167","0.004","87.646","0.007","75.043","0.006","75.422","0.006","571.7","0.4","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 N5 S2 -","- C9 H13 N5 S2 -","- C18 H26 N10 S4 -","2","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","x-ray","0.71073","MoKα","K-L~3~","0.0592","0.045","","","0.1149","0.1207","","","","","","1.07","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205697","19.249","0.004","7.6441","0.0015","26.522","0.005","90","","90","","90","","3902.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 Mn2 N8 O16 -","- C38 H26 Mn2 N8 O16 -","- C152 H104 Mn8 N32 O64 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0674","0.0508","","","0.1018","0.1086","","","","","","1.04","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205698","12.405","0.003","14.088","0.003","15.765","0.003","63.53","0.03","72.82","0.03","68.38","0.03","2264.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 Co2 N10 O18 -","- C43 H37 Co2 N10 O18 -","- C86 H74 Co4 N20 O36 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0967","0.0619","","","0.1423","0.1609","","","","","","1.026","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205699","12.7703","0.0007","14.1255","0.0008","15.8443","0.0009","116.321","0.003","90.408","0.004","111.164","0.003","2340.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 N10 Ni2 O18 -","- C43 H33 N10 Ni2 O18 -","- C86 H66 N20 Ni4 O36 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.1323","0.0658","","","0.1673","0.1989","","","","","","0.936","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205700","8.2565","0.0017","10.422","0.002","23.99","0.005","90","","96.68","0.03","90","","2050.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cu3 N8 O18 -","- C38 H28 Cu3 N8 O18 -","- C76 H56 Cu6 N16 O36 -","2","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0937","0.0603","","","0.1484","0.164","","","","","","1.034","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205701","19.237","0.004","7.5997","0.0015","26.035","0.005","90","","90","","90","","3806.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 N8 O16 Zn2 -","- C38 H26 N8 O16 Zn2 -","- C152 H104 N32 O64 Zn8 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0715","0.0476","","","0.0941","0.1019","","","","","","1.037","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205702","7.7464","0.0005","10.6554","0.0008","25.6955","0.0019","88.419","0.004","88.034","0.004","77.623","0.004","2070","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cd2 N8 O17 -","- C38 H24 Cd2 N7.65 O16.3 -","- C76 H48 Cd4 N15.3 O32.6 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.1393","0.0649","","","0.137","0.1642","","","","","","0.912","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205703","8.792","0.005","21.509","0.012","7.436","0.004","90","","103.882","0.007","90","","1365.1","1.3","291","2","291","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H14 Cu I S2 -","- C10 H14 Cu I S2 -","- C40 H56 Cu4 I4 S8 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0649","0.0516","","","0.1233","0.1266","","","","","","1.05","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205704","11.1804","0.0009","17.3956","0.0014","25.706","0.002","107.456","0.001","90.016","0.002","95.251","0.001","4747.3","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 Cu12 I12 S12 -","- C60 H84 Cu12 I12 S12 -","- C120 H168 Cu24 I24 S24 -","2","1","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0804","0.0597","","","0.1428","0.1489","","","","","","1.023","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205705","24.998","0.006","8.734","0.002","22.402","0.006","90","","101.507","0.002","90","","4793","2","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H49 Cu2 I2 N O S4 -","- C38 H49 Cu2 I2 N O S4 -","- C152 H196 Cu8 I8 N4 O4 S16 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0701","0.0492","","","0.1013","0.1047","","","","","","1.081","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205706","16.665","0.0005","16.665","0.0005","57.781","0.008","90","","90","","120","","13897","2","291","2","291","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C27 H35 Cu4 I4 O S3 -","- C27 H34.98 Cu4 I4 O S3 -","- C324 H419.76 Cu48 I48 O12 S36 -","12","0.333333","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0775","0.0481","","","0.1161","0.1226","","","","","","1.005","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205707","14.33","0.005","13.962","0.005","17.424","0.006","90","","98.347","0.004","90","","3449","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O5 P Zn1.5 -","- C17 H12 N2 O5 P Zn1.5 -","- C136 H96 N16 O40 P8 Zn12 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0344","0.0276","","","0.0685","0.0708","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205708","17.804","0.006","19.34","0.012","10.242","0.007","90","","119.51","0.05","90","","3069","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H9.5 N0.5 O5.5 P Zn -","- C8 H8 N0.5 O5.5 P Zn -","- C64 H64 N4 O44 P8 Zn8 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0817","0.0695","","","0.1991","0.2115","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205709","18.372","0.008","19.143","0.008","10.534","0.005","90","","124.353","0.01","90","","3059","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H19.5 N1.5 O7.5 P Zn -","- C10.5 H16 N1.5 O7.5 P Zn -","- C84 H128 N12 O60 P8 Zn8 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0537","0.0408","","","0.1098","0.1204","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205710","6.3597","0.0002","8.6865","0.0002","11.2216","0.0003","69.182","0.001","89.501","0.001","81.866","0.001","573.04","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1","1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1","","- C16 H8 F8 I4 S2 -","- C16 H8 F8 I4 S2 -","- C16 H8 F8 I4 S2 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.052","0.0368","","","0.0893","0.1017","","","","","","1.062","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205711","9.3792","0.0001","13.262","0.0002","20.959","0.0004","74.809","0.001","88.358","0.001","78.396","0.001","2463.71","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","acridine:tetrafluoro-1,2-diiodobenzene 7/4","acridine:tetrafluoro-1,2-diiodobenzene 7/4","","- C115 H63 F16 I8 N7 -","- C115 H63 F16 I8 N7 -","- C115 H63 F16 I8 N7 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0829","0.0438","","","0.0805","0.0923","","","","","","1.013","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205712","14.3077","0.0003","7.6892","0.0002","20.0916","0.0004","90","","125.881","0.001","90","","1790.92","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenazine:tetrafluoro-1,2-diiodobenzene 1/1","phenazine:tetrafluoro-1,2-diiodobenzene 1/1","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0766","0.0412","","","0.104","0.1259","","","","","","1.081","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205713","15.8642","0.0002","8.3329","0.0001","18.4437","0.0003","90","","106.542","0.001","90","","2337.25","0.06","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1","triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1","","- C24 H15 F4 I2 O P -","- C24 H15 F4 I2 O P -","- C96 H60 F16 I8 O4 P4 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0694","0.0381","","","0.0709","0.0801","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205714","10.9742","0.0003","11.196","0.0003","32.3795","0.0009","90","","90","","90","","3978.38","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Fabrication of nanoporous material from a hydrophobic peptide","CrystEngComm","2011","13","8","3064","","10.1039/c0ce00701c","","","0.71073","MoKα","","0.1031","0.0474","","","0.1447","0.2078","","","","","","0.814","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205715","8.597","0.0008","9.2441","0.0009","11.8821","0.0012","103.269","0.002","102.055","0.002","95.831","0.002","887.65","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cu N14 O9 -","- C24 H28 Cu N14 O9 -","- C24 H28 Cu N14 O9 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0854","0.066","","","0.2278","0.233","","","","","","1.076","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205716","21.6393","0.0006","13.1753","0.0003","12.3516","0.0003","90","","92.557","0.001","90","","3517.99","0.15","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H38 Cl2 Co N14 O2 S2 -","- C29 H28 Cl2 Co N14 O2 S2 -","- C116 H112 Cl8 Co4 N56 O8 S8 -","4","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0705","0.0631","","","0.1964","0.2066","","","","","","1.12","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205717","22.065","0.005","13.166","0.003","12.255","0.002","90","","92.379","0.005","90","","3557.1","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N14 Ni S2 -","- C26 H28 N14 Ni S2 -","- C104 H112 N56 Ni4 S8 -","4","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0916","0.0577","","","0.1611","0.1776","","","","","","0.954","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205718","8.2524","0.0003","9.4588","0.0003","13.392","0.0004","94.799","0.001","102.386","0.001","109.501","0.001","948.66","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N20 Ni O6 -","- C36 H42 N20 Ni O6 -","- C36 H42 N20 Ni O6 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0523","0.039","","","0.1124","0.1171","","","","","","0.686","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205719","8.718","0.0002","10.228","0.0002","13.392","0.0003","107.593","0.001","95.645","0.001","111.992","0.001","1024.78","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cd Cl2 N18 O8 -","- C36 H42 Cd Cl2 N18 O8 -","- C36 H42 Cd Cl2 N18 O8 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0395","0.0319","","","0.0849","0.1078","","","","","","1.231","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205720","10.3434","0.0002","10.5131","0.0002","13.7616","0.0004","85.273","0.001","73.301","0.001","67.728","0.001","1325.82","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 Cd2 N18 O11 -","- C52 H56 Cd2 N18 O11 -","- C52 H56 Cd2 N18 O11 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0414","0.0355","","","0.099","0.1056","","","","","","0.98","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205721","7.4983","0.0015","8.6759","0.0017","9.793","0.002","82.62","0.03","67.51","0.03","84.25","0.03","582.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd2 N6 O8 -","- C22 H16 Cd2 N6 O8 -","- C22 H16 Cd2 N6 O8 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0516","0.0347","","","0.0713","0.0748","","","","","","1.005","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205722","6.2301","0.0012","8.6277","0.0017","8.961","0.0018","110.7","0.03","110.27","0.03","91.49","0.03","416.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Eu2 O16 -","- C12 H10 Eu2 O16 -","- C12 H10 Eu2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0164","0.0155","","","0.035","0.0352","","","","","","1.111","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205723","6.2071","0.0008","8.5862","0.0018","8.8891","0.0011","110.938","0.002","110.025","0.002","91.761","0.002","409.34","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Dy2 O16 -","- C12 H10 Dy2 O16 -","- C12 H10 Dy2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0295","0.0267","","","0.0658","0.0674","","","","","","1.12","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205724","6.1931","0.0012","8.5776","0.0017","8.8684","0.0018","111.03","0.03","109.97","0.03","91.82","0.03","406.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Ho2 O16 -","- C12 H10 Ho2 O16 -","- C12 H10 Ho2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0179","0.0173","","","0.0445","0.0447","","","","","","1.237","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205725","18.833","0.003","7.7766","0.0012","14.755","0.002","90","","113.696","0.002","90","","1978.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O17 Tb2 -","- C15 H16 O17 Tb2 -","- C60 H64 O68 Tb8 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0287","0.0232","","","0.0477","0.0495","","","","","","1.054","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205726","18.805","0.004","7.7577","0.0016","14.724","0.003","90","","113.7","0.03","90","","1966.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Dy2 O17 -","- C15 H16 Dy2 O17 -","- C60 H64 Dy8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0192","0.0175","","","0.0377","0.0382","","","","","","1.083","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205727","18.7825","0.0018","7.7434","0.0008","14.6995","0.0014","90","","113.777","0.001","90","","1956.4","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Ho2 O17 -","- C15 H16 Ho2 O17 -","- C60 H64 Ho8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0211","0.0187","","","0.0412","0.0421","","","","","","1.073","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205728","7.774","0.001","7.2219","0.001","17.336","0.002","90","","91.54","0.002","90","","972.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O14 Tb2 -","- C16 H14 O14 Tb2 -","- C32 H28 O28 Tb4 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0222","0.0187","","","0.0409","0.0422","","","","","","1.046","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205729","7.7489","0.0008","7.1601","0.0007","17.294","0.0018","90","","91.165","0.001","90","","959.32","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Er2 O14 -","- C16 H14 Er2 O14 -","- C32 H28 Er4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0284","0.0231","","","0.0501","0.0524","","","","","","1.063","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205730","7.7869","0.0019","7.2672","0.0018","17.37","0.004","90","","91.799","0.003","90","","982.5","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Eu2 O14 -","- C16 H14 Eu2 O14 -","- C32 H28 Eu4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0256","0.0214","","","0.0519","0.0539","","","","","","1.079","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205731","6.2191","0.0012","8.5786","0.0017","8.9113","0.0018","110.89","0.03","110.11","0.03","91.64","0.03","410.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 O16 Tb2 -","- C12 H10 O16 Tb2 -","- C12 H10 O16 Tb2 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0158","0.0152","","","0.0505","0.0507","","","","","","1.332","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205732","18.886","0.004","7.8133","0.0016","14.793","0.003","90","","113.604","0.002","90","","2000.3","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Eu2 O17 -","- C15 H16 Eu2 O17 -","- C60 H64 Eu8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0224","0.0198","","","0.0444","0.0456","","","","","","1.057","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205733","7.7659","0.0007","7.2009","0.0006","17.3199","0.0015","90","","91.452","0.001","90","","968.24","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Dy2 O14 -","- C16 H14 Dy2 O14 -","- C32 H28 Dy4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0225","0.019","","","0.0472","0.0491","","","","","","1.084","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205734","9.6267","0.0001","18.4669","0.0003","9.7167","0.0001","90","","113.689","0.001","90","","1581.84","0.04","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H39 N4 O13 Zn -","- C25 H23 N4 O13 Zn -","- C50 H46 N8 O26 Zn2 -","2","0.5","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.08","0.063","","","0.1824","0.1961","","","","","","1.098","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205735","16.0549","0.0009","14.7739","0.0008","20.916","0.0012","90","","105.132","0.001","90","","4789.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N4 O6 Zn -","- C24 H26 N4 O6 Zn -","- C192 H208 N32 O48 Zn8 -","8","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0499","0.0451","","","0.1311","0.1402","","","","","","1.13","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205736","12.1267","0.0002","28.8702","0.0004","9.6769","0.0001","90","","93.585","0.001","90","","3381.26","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl N6 O13 Zn2 -","- C32 H29 Cl N6 O13 Zn2 -","- C128 H116 Cl4 N24 O52 Zn8 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0384","0.0305","","","0.0749","0.0788","","","","","","1.03","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205737","9.4905","0.0005","12.112","0.0006","23.4975","0.0012","93.066","0.001","90.284","0.001","110.117","0.001","2531.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 N18 O38 Zn5 -","- C96 H84 N18 O38 Zn5 -","- C96 H84 N18 O38 Zn5 -","1","0.5","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0389","0.0288","","","0.0675","0.0716","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205738","11.561","0.005","11.515","0.005","14.717","0.006","90","","94.955","0.004","90","","1951.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O4 Zn -","- C20 H22 N2 O4 Zn -","- C80 H88 N8 O16 Zn4 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0592","0.0487","","","0.1251","0.1317","","","","","","1.106","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205739","9.8561","0.0007","11.9538","0.0009","22.8463","0.0016","90","","95.506","0.001","90","","2679.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 N4 O11 S Zn -","- C24 H24 N4 O11 S Zn -","- C96 H96 N16 O44 S4 Zn4 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0498","0.0462","","","0.132","0.1356","","","","","","1.096","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205740","11.334","0.002","9.0242","0.0018","21.631","0.004","90","","95.38","0.03","90","","2202.7","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cd2 N8 O14 S2 -","- C36 H48 Cd2 N8 O14 S2 -","- C72 H96 Cd4 N16 O28 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0436","0.0328","","","0.0782","0.0837","","","","","","1.045","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205741","12.511","0.003","9.2727","0.0019","15.981","0.003","90","","94.78","0.03","90","","1847.5","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N4 O4 S Zn -","- C18 H18 N4 O4 S Zn -","- C72 H72 N16 O16 S4 Zn4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.1089","0.0719","","","0.1297","0.1702","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205742","32.354","0.006","9.855","0.002","18.599","0.004","90","","99.41","0.03","90","","5850","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cd N8 O6 -","- C27 H27 Cd N8 O6 -","- C216 H216 Cd8 N64 O48 -","8","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0524","0.0415","","","0.1067","0.1128","","","","","","1.067","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205743","13.771","0.003","14.65","0.003","20.312","0.004","90","","101.59","0.03","90","","4014.3","1.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N6 O6 Zn -","- C18 H17 N6 O6 Zn -","- C144 H136 N48 O48 Zn8 -","8","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.105","0.0596","","","0.1473","0.2098","","","","","","1.08","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205744","23.105","0.005","12.069","0.002","12.498","0.003","90","","90","","90","","3485.1","1.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 Cd N10 O6 -","- C36 H36 Cd N10 O6 -","- C144 H144 Cd4 N40 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0289","0.0243","","","0.0574","0.0594","","","","","","1.054","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205745","10.7613","0.0015","10.7613","0.0015","16.348","0.003","90","","90","","90","","1893.2","0.5","295","2","295","2","","","","","","","","6","P -4 c 2","P -4 -2c","116","","","","- C36 H36 Cl2 N8 O8 Zn -","- C36 H36 Cl2 N8 O8 Zn -","- C72 H72 Cl4 N16 O16 Zn2 -","2","0.25","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.074","0.0571","","","0.1503","0.18","","","","","","1.107","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205746","10.998","0.002","11.8","0.002","12.793","0.003","70.09","0.03","66.74","0.03","73.43","0.03","1412.1","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 Cd Cl2 N12 O10 -","- C54 H58 Cd Cl2 N12 O10 -","- C54 H58 Cd Cl2 N12 O10 -","1","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0944","0.0685","","","0.1768","0.2128","","","","","","1.071","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205747","18.9721","0.0007","18.9721","0.0007","20.2105","0.0013","90","","90","","90","","7274.6","0.6","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H167 N30 Ni4 O101 P V36 -","- C40 H137 N30 Ni4 O101 P V36 -","- C80 H274 N60 Ni8 O202 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.0962","0.0694","","","0.2159","0.2342","","","","","","1.053","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205748","18.8231","0.0007","18.8231","0.0007","20.332","0.0015","90","","90","","90","","7203.8","0.7","196","2","196","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H155 N30 Ni4 O95 P V36 -","- C40 H154 N30 Ni4 O95 P V36 -","- C80 H308 N60 Ni8 O190 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.1037","0.0698","","","0.1932","0.2045","","","","","","1.104","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205749","10.1153","0.0008","10.1153","0.0008","8.8592","0.0014","90","","90","","120","","785.02","0.15","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- B6 Br K3 O10 -","- B6 Br K3 O10 -","- B18 Br3 K9 O30 -","3","0.166667","","Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun","Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br","CrystEngComm","2011","13","8","2899","","10.1039/c0ce00725k","","","0.71073","MoKα","","0.0275","0.0273","","","0.0637","0.0639","","","","","","1.157","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205750","24.4496","0.0007","14.3595","0.0004","34.5689","0.0009","90","","92.838","0.0004","90","","12121.7","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C60 H94 Fe4 Mo12 N12 Na O83 P9 Sr2 -","- C60 H86 Fe4 Mo12 N12 Na O83 P9 Sr2 -","- C240 H344 Fe16 Mo48 N48 Na4 O332 P36 Sr8 -","4","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0416","0.0373","","","0.1017","0.104","","","","","","1.092","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205751","11.4944","0.0011","14.2418","0.0014","15.262","0.0015","69.142","0.001","81.976","0.001","88.108","0.001","2311.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H76 Mn2 Mo12 N4 O78 P8 Sr2 -","- C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 -","- C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 -","1","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0558","0.044","","","0.1084","0.113","","","","","","1.04","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205752","11.9135","0.0007","13.5243","0.0008","14.224","0.0014","106.946","0.001","107.202","0.001","108.76","0.001","1874.1","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H54 Cd2 Mo12 N4 O73 P8 Sr2 -","- C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 -","- C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 -","1","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0257","0.0242","","","0.0651","0.066","","","","","","1.042","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205753","14.1675","0.0004","21.2583","0.0006","13.6566","0.0004","90","","113.85","","90","","3761.83","0.19","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C10 H60 Mn2 Mo12 N2 O82 P8 Sr4 -","- C10 H42 Mn2 Mo12 N2 O82 P8 Sr4 -","- C20 H84 Mn4 Mo24 N4 O164 P16 Sr8 -","2","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0248","0.0217","","","0.0533","0.0545","","","","","","1.064","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205754","10.631","0.009","9.315","0.008","18.052","0.015","90","","103.771","0.013","90","","1736","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N3 O2 -","- C20 H24 N3 O2 -","- C80 H96 N12 O8 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0921","0.0784","","","0.2147","0.2418","","","","","","0.869","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205755","25.244","0.004","18.525","0.003","8.9052","0.0013","90","","102.753","0.003","90","","4061.7","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N3 O5 -","- C21 H23 N3 O5 -","- C168 H184 N24 O40 -","8","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0932","0.0791","","","0.1917","0.202","","","","","","1.134","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205756","8.539","0.003","13.703","0.004","17.468","0.005","90","","103.311","0.005","90","","1989","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cl2 N3 O3 -","- C17 H27 Cl2 N3 O3 -","- C68 H108 Cl8 N12 O12 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0606","0.0499","","","0.1206","0.1266","","","","","","1.094","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205757","9.801","0.003","17.308","0.005","9.009","0.002","90","","106","0.004","90","","1469","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N3 O0.5 -","- C17 H19 N3 O0.529 -","- C68 H76 N12 O2.116 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0883","0.0652","","","0.1554","0.1693","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205758","8.93","0.003","9.877","0.003","22.497","0.006","90","","90","","90","","1984.3","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0688","0.0458","","","0.0888","0.0964","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205759","10.3222","0.0016","10.7865","0.0017","10.8589","0.0017","111.053","0.002","115.931","0.002","99.711","0.002","935.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O4 -","- C20 H23 N3 O4 -","- C40 H46 N6 O8 -","2","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0715","0.0565","","","0.1223","0.1295","","","","","","1.087","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205760","13.941","0.008","15.599","0.009","9.412","0.005","90","","99.499","0.011","90","","2019","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 O3 -","- C24 H25 N3 O3 -","- C96 H100 N12 O12 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.1209","0.1056","","","0.3023","0.3101","","","","","","1.255","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205761","9.801","0.003","17.308","0.005","9.009","0.002","90","","106","0.004","90","","1469","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N3 O0.5 -","- C17 H19 N3 O0.5 -","- C68 H76 N12 O2 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0883","0.0652","","","0.1574","0.1716","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205762","6.0786","0.0004","10.5312","0.0008","17.6034","0.0012","90","","90","","90","","1126.88","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(benzoate)","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0724","0.0487","","","0.1098","0.1241","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205763","22.1824","0.0012","35.8905","0.0019","6.3763","0.0003","90","","90","","90","","5076.4","0.5","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(cyclohexylammonium).(benzoate)","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C208 H304 N16 O32 -","16","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1048","0.0702","","","0.1936","0.2219","","","","","","1.007","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205764","29.9753","0.0005","29.9753","0.0005","6.0374","0.0002","90","","90","","90","","5424.7","0.2","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","(cycloheptylammonium).(benzoate)","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C224 H336 N16 O32 -","16","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0742","0.0442","","","0.0974","0.1117","","","","","","1.021","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205765","6.4482","0.0001","9.0987","0.0002","12.4471","0.0002","86.603","0.001","87.899","0.001","77.976","0.001","712.78","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(cyclooctylammonium).(benzoate)","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C30 H46 N2 O4 -","2","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0494","0.0419","","","0.111","0.1162","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205766","6.273","0.0005","27.265","0.002","10.4419","0.0008","90","","90.432","0.002","90","","1785.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(cyclododecylammonium).(benzoate)","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0642","0.0559","","","0.1338","0.1384","","","","","","1.011","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205767","6.4663","0.0002","11.0134","0.0004","21.0375","0.0009","90","","90","","90","","1498.21","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(adamantane carboxylate)","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0624","0.0475","","","0.1184","0.1267","","","","","","1.012","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205768","6.5544","0.0003","12.7452","0.0004","19.7109","0.0009","76.69","0.003","89.615","0.003","89.59","0.002","1602.3","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(cyclohexylammonium).(adamantane carboxylate)","","- C17 H29 N O2 -","- C17 H29 N O2 -","- C68 H116 N4 O8 -","4","2","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1166","0.0915","","","0.2571","0.2709","","","","","","1.115","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205769","23.4749","0.001","6.4309","0.0002","21.8759","0.001","90","","96.802","0.002","90","","3279.2","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(cycloheptylammonium).(adamantane carboxylate)","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C144 H248 N8 O16 -","8","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0772","0.05","","","0.1099","0.1218","","","","","","0.969","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205770","6.4758","0.0003","11.2016","0.0006","24.5573","0.0014","90","","93.217","0.004","90","","1778.56","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(cyclooctylammonium).(adamantane carboxylate)","","- C19 H33 N O2 -","- C19 H33 N O2 -","- C76 H132 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1684","0.065","","","0.1146","0.147","","","","","","0.918","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205771","28.971","0.0006","6.585","0.0001","23.0547","0.0005","90","","102.386","0.001","90","","4295.87","0.15","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(cyclododecylammonium).(adamantanecarboxylate)","","- C23 H41 N O2 -","- C23 H41 N O2 -","- C184 H328 N8 O16 -","8","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0624","0.0438","","","0.1231","0.1569","","","","","","0.644","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205772","5.9666","0.0002","8.7396","0.0002","19.1354","0.0006","90","","92.854","0.002","90","","996.59","0.05","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N3 S -","- C2 H7 N3 S -","- C16 H56 N24 S8 -","8","2","","Francuski, Bojana M.; Novaković, Sladjana B.; Bogdanović, Goran A.","Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Experimental charge density study of 4-methyl-3-thiosemicarbazide","CrystEngComm","2011","13","10","3580","","10.1039/c0ce00760a","","","0.71073","MoKα","","0.0295","0.0178","","","0.0385","0.0199","","","","","","0.817","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205773","16.504","0.003","25.01","0.005","26.843","0.009","90","","116.46","0.02","90","","9919","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 B Cu5 N20 O41 W12 -","- C70 H72 B Cu5 N20 O41 W12 -","- C280 H288 B4 Cu20 N80 O164 W48 -","4","1","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0712","0.0441","","","0.0806","0.0891","","","","","","1.022","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205774","19.675","0.002","36.612","0.0013","27.69","0.003","90","","134.453","0.019","90","","14238","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","- C336 H336 Cu24 Mo96 N96 O320 P8 -","8","2","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0789","0.0489","","","0.0931","0.1049","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205775","17.473","0.003","19.379","0.004","24.951","0.005","90","","105.36","0.03","90","","8147","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 Mo12 N16 O40 Si -","- C56 H56 Cu4 Mo12 N16 O40 Si -","- C224 H224 Cu16 Mo48 N64 O160 Si4 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0725","0.0696","","","0.172","0.1739","","","","","","1.093","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205776","17.455","0.004","19.421","0.004","25.063","0.005","90","","105.5","0.03","90","","8187","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 N16 O40 Si W12 -","- C56 H56 Cu4 N16 O40 Si W12 -","- C224 H224 Cu16 N64 O160 Si4 W48 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0734","0.0654","","","0.1336","0.1371","","","","","","1.195","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205777","17.4554","0.0007","19.3865","0.0008","25.0002","0.0011","90","","105.521","0.001","90","","8151.5","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 Ge Mo12 N16 O40 -","- C56 H56 Cu4 Ge Mo12 N16 O40 -","- C224 H224 Cu16 Ge4 Mo48 N64 O160 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0781","0.0575","","","0.1301","0.1442","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205778","9.824","0.005","10.017","0.006","11.36","0.007","111.68","0.02","96.45","0.02","94.56","0.02","1023.3","1","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu Mo3 N4 O9.5 -","- C14 H14 Cu Mo3 N4 O9.5 -","- C28 H28 Cu2 Mo6 N8 O19 -","2","1","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0384","0.0313","","","0.0777","0.0898","","","","","","1.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205779","26.982","0.008","7.503","0.002","15.853","0.004","90","","109.316","0.007","90","","3028.7","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cu2.5 N4 O10 -","- C12 H9 Cu2.5 N4 O10 -","- C96 H72 Cu20 N32 O80 -","8","1","","Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun","Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand","CrystEngComm","2011","13","7","2667","","10.1039/c0ce00764a","","","0.71073","MoKα","","0.0246","0.0227","","","0.0626","0.0637","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205780","13.5623","0.0016","7.2662","0.0009","15.2513","0.0013","90","","123.605","0.007","90","","1251.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu4 N8 O14 -","- C22 H16 Cu4 N8 O14 -","- C44 H32 Cu8 N16 O28 -","2","0.5","","Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun","Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand","CrystEngComm","2011","13","7","2667","","10.1039/c0ce00764a","","","0.71073","MoKα","","0.0301","0.0259","","","0.0707","0.0728","","","","","","1.045","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205781","10.099","0.002","31.64","0.007","12.45","0.003","90","","95.854","0.002","90","","3957.4","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Eu3 O23 -","- C35 H31 Eu3 O23 -","- C140 H124 Eu12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0376","0.0289","","","0.0674","0.0779","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205782","10.051","0.004","31.543","0.012","12.42","0.005","90","","96.082","0.005","90","","3915","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Gd3 O23 -","- C35 H31 Gd3 O23 -","- C140 H124 Gd12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0405","0.0339","","","0.0734","0.0766","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205783","9.9881","0.001","31.471","0.003","12.2888","0.0012","90","","96.147","0.001","90","","3840.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Dy3 O23 -","- C35 H31 Dy3 O23 -","- C140 H124 Dy12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0497","0.0366","","","0.0899","0.1021","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205784","7.049","0.002","11.888","0.003","16.218","0.005","86.15","0.01","84.556","0.0014","86.298","0.0011","1347.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Br N O4 S -","- C13 H8 Br N O4 S -","- C52 H32 Br4 N4 O16 S4 -","4","2","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","1.5418","CuKα","","0.1207","0.0605","","","0.1496","0.1695","","","","","","0.951","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205785","16.309","0.004","6.7318","0.0016","13.206","0.006","90","","121.757","0.009","90","","1232.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","0.5","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71073","MoKα","","0.1","0.0485","","","0.0813","0.0981","","","","","","1.012","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205786","7.772","0.003","11.979","0.004","13.235","0.005","90","","104.844","0.005","90","","1191.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Br N O3 S -","- C13 H6 Br N O3 S -","- C52 H24 Br4 N4 O12 S4 -","4","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","1.5418","CuKα","","0.1099","0.0847","","","0.2288","0.2477","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205787","7.665","0.003","19.245","0.007","8.027","0.002","90","","99.656","0.014","90","","1167.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N2 O3 S -","- C13 H8 N2 O3 S -","- C52 H32 N8 O12 S4 -","4","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71073","MoKα","","0.063","0.0377","","","0.0821","0.0926","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205788","7.2392","0.0011","7.256","0.002","12.9183","0.0016","73.904","0.017","77.067","0.011","70.673","0.018","608.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N O3 S -","- C15 H7 N O3 S -","- C30 H14 N2 O6 S2 -","2","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71069","MoKα","","0.1438","0.064","","","0.1265","0.15","","","","","","0.92","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205789","5.579","0.003","12.653","0.006","16.384","0.009","90","","95.977","0.01","90","","1150.3","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N O8 P2 Zn2 -","- C7 H9 N O8 P2 Zn2 -","- C28 H36 N4 O32 P8 Zn8 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates","CrystEngComm","2011","13","7","2331","","10.1039/c0ce00791a","","","0.71073","MoKα","","0.0714","0.0553","","","0.1031","0.1113","","","","","","1.089","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205790","10.741","0.009","11.109","0.009","11.933","0.011","77.678","0.019","84.65","0.03","75.99","0.02","1348","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24.5 Cu4 N2 O19.25 P4 -","- C14 H14 Cu3.95 N2 O19.25 P4 -","- C28 H28 Cu7.9 N4 O38.5 P8 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates","CrystEngComm","2011","13","7","2331","","10.1039/c0ce00791a","","","0.71073","MoKα","","0.1286","0.0961","","","0.2824","0.3059","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205791","15.7312","0.0012","10.2246","0.0009","16.4141","0.0013","90","","113.281","0.005","90","","2425.2","0.4","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.1368","0.0638","","","0.1388","0.169","","","","","","1.026","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205792","10.0961","0.0004","10.9362","0.0004","11.6798","0.0003","86.562","0.002","78.274","0.002","67.484","0.0014","1166.21","0.07","150","1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C60 H32 B2 Cl2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0841","0.0524","","","0.1304","0.1548","","","","","","1.059","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205793","10.1878","0.0003","11.1594","0.0004","11.6949","0.0004","87.172","0.0016","79.795","0.0017","68.681","0.0018","1218.85","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C60 H32 B2 I2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0467","0.0346","","","0.0788","0.0859","","","","","","1.049","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205794","10.1389","0.0004","11.0056","0.0004","11.6749","0.0005","86.929","0.002","78.811","0.002","68.01","0.0019","1184.74","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C60 H32 B2 Br2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0659","0.0413","","","0.0906","0.1009","","","","","","1.018","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205795","10.503","0.006","10.907","0.007","13.045","0.007","88.62","0.02","66.884","0.015","80.085","0.017","1352.3","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 Eu2 N3 O17 S -","- C20 H16 Cu0.5 Eu2 N3 O17 S -","- C40 H32 Cu Eu4 N6 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0757","0.0622","","","0.1521","0.1686","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205796","10.51","","10.9229","0.0004","13.025","0.0001","88.851","0.007","66.903","0.005","80.45","0.007","1354.67","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 N3 Nd2 O17 S -","- C20 H16 Cu0.5 N3 Nd2 O17 S -","- C40 H32 Cu N6 Nd4 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0691","0.058","","","0.1567","0.173","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205797","10.426","","10.8303","0.0003","12.9799","0.0001","88.649","0.007","66.992","0.005","80.223","0.005","1327.98","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 Gd2 N3 O17 S -","- C20 H16 Cu0.5 Gd2 N3 O17 S -","- C40 H32 Cu Gd4 N6 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0617","0.0543","","","0.1385","0.1509","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205798","10.49","0.004","10.903","0.005","13.026","0.005","88.736","0.014","66.916","0.007","80.309","0.01","1349.4","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 N3 O17 S Sm2 -","- C20 H16 Cu0.5 N3 O17 S Sm2 -","- C40 H32 Cu N6 O34 S2 Sm4 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0904","0.0733","","","0.1909","0.2239","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205799","15.9164","0.0008","15.9164","0.0008","7.8769","0.0004","90","","90","","120","","1728.13","0.15","100","2","100","2","","","","","","","","4","P 62","P 62","171","solvated gamma-aminobutyric acid","solvated gamma-aminobutyric acid","","- C8.2 H18 N2 O4.1 -","- C8.2 H18 N2 O4.1 -","- C49.2 H108 N12 O24.6 -","6","1","","de Vries, Elise J. C.; Levendis, Demetrius C.; Reece, Hayley A.","A hexagonal solvate of the neurotransmitter γ-aminobutyric acid","CrystEngComm","2011","13","10","3334","","10.1039/c0ce00803f","","","0.71073","MoKα","","0.1018","0.0542","","","0.1214","0.1396","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205800","10.2479","0.0004","19.6937","0.0009","36.3999","0.0015","88.258","0.003","88.801","0.003","89.558","0.004","7341","0.5","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H39 Br2 Fe O13 S32 -","- C52 H39 Br2 Fe O13 S32 -","- C208 H156 Br8 Fe4 O52 S128 -","4","2","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Coexistence of two donor packing motifs in the stable molecular metal α-‘pseudo-κ’-(BEDT-TTF)4(H3O)[Fe(C2O4)3]·C6H4Br2","CrystEngComm","2011","13","7","2430","","10.1039/c0ce00804d","","","0.71073","MoKα","","0.1195","0.0554","","","0.1067","0.1202","","","","","","1","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205801","9.1761","0.0003","11.7881","0.0007","11.8683","0.0007","103.977","0.002","97.401","0.003","94.414","0.003","1227.58","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O9 -","- C25 H34 N2 O9 -","- C50 H68 N4 O18 -","2","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.1154","0.0531","","","0.1226","0.1717","","","","","","0.993","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205802","10.1087","0.0006","10.8879","0.0004","14.367","0.001","98.432","0.003","94.188","0.003","116.888","0.003","1377.57","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Cl6 N2 O7 -","- C19 H28 Cl6 N2 O7 -","- C38 H56 Cl12 N4 O14 -","2","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.1152","0.0605","","","0.1637","0.2061","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205803","9.7106","0.0002","19.4586","0.0004","11.009","0.0002","90","","113.827","0.001","90","","1902.91","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H33 Cl3 N4 O4 -","- C12 H33 Cl3 N4 O4 -","- C48 H132 Cl12 N16 O16 -","4","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.0474","0.038","","","0.0757","0.0807","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205804","16.115","0.003","18.888","0.004","4.9329","0.0012","90","","90","","90","","1501.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H15 N2 O4 P -","- C15 H15 N2 O4 P -","- C60 H60 N8 O16 P4 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.0455","0.0356","","","0.0802","0.0854","","","","","","1.037","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205805","6.253","0.0002","14.4187","0.0005","15.9581","0.0006","90","","93.37","0.001","90","","1436.3","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.0498","0.0372","","","0.0939","0.1026","","","","","","1.034","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205806","8.1846","0.0002","17.0013","0.0004","9.4108","0.0002","90","","99.507","0.001","90","","1291.52","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl N2 -","- C15 H13 Cl N2 -","- C60 H52 Cl4 N8 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.048","0.0363","","","0.0907","0.0986","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205807","14.7258","0.0007","20.1708","0.0008","20.1033","0.0007","90","","104.689","0.001","90","","5776.1","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H114 N16 O27 S6 -","- C120 H114 N16 O27 S6 -","- C240 H228 N32 O54 S12 -","2","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1144","0.0588","","","0.1041","0.1235","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205808","18.4041","0.0017","8.4011","0.0007","22.587","0.002","90","","90","","90","","3492.3","0.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 Cl N2 O6 -","- C16 H19 Cl N2 O6 -","- C128 H152 Cl8 N16 O48 -","8","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1002","0.0727","","","0.2103","0.2369","","","","","","1.056","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205809","12.7148","0.0006","13.1573","0.0005","23.569","0.0012","90","","98.144","0.0017","90","","3903.2","0.3","120.1","","120.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 K8 O14 S8 -","- C72 H84 K8 O14 S8 -","- C144 H168 K16 O28 S16 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements","CrystEngComm","2011","13","7","2494","","10.1039/c0ce00824a","","","0.71075","MoKα","","","0.0559","","","","0.1884","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205810","22.2021","0.001","19.4371","0.0009","15.8554","0.0006","90","","130.596","0.0009","90","","5195.5","0.4","173.1","","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C100 H72 K8 O23 S16 -","- C100 H72 K8 O23 S16 -","- C200 H144 K16 O46 S32 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements","CrystEngComm","2011","13","7","2494","","10.1039/c0ce00824a","","","0.71075","MoKα","","0.0661","0.0552","","","0.1577","0.1851","","","","","","1.379","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205811","22.572","0.0013","21.1052","0.0012","20.6054","0.0013","90","","117.648","0.013","90","","8695.3","1.4","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 Dy14 O72 -","- C120 H198 Dy14 O72 -","- C240 H396 Dy28 O144 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0554","0.0324","","","0.0849","0.1022","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205812","22.9431","0.0016","21.5429","0.001","20.9251","0.0014","90","","117.282","0.009","90","","9192","1.2","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 O72 Tb14 -","- C120 H198 O72 Tb14 -","- C240 H396 O144 Tb28 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0504","0.0416","","","0.0924","0.0945","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205813","20.5097","0.0016","7.9119","0.0006","12.3903","0.001","90","","123.334","0.001","90","","1679.8","0.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br2 N2 Ni O4 -","- C12 H18 Br2 N2 Ni O4 -","- C48 H72 Br8 N8 Ni4 O16 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0427","0.0357","","","0.0898","0.1132","","","","","","1.227","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205814","17.2034","0.0008","12.6231","0.0007","16.8913","0.0009","90","","105.234","0.001","90","","3539.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 N4 Ni4 O12 -","- C32 H36 N4 Ni4 O12 -","- C128 H144 N16 Ni16 O48 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0362","0.0314","","","0.0803","0.0827","","","","","","1.06","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205815","13.7506","0.0005","22.6852","0.0008","25.2982","0.0008","110.525","0.001","93.087","0.001","105.933","0.001","7007.1","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H139 Br12 N13 Ni6 O38 -","- C110 H139 Br12 N13 Ni6 O38 -","- C220 H278 Br24 N26 Ni12 O76 -","2","1","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.1121","0.0693","","","0.1866","0.2088","","","","","","1.061","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205816","28.336","0.006","8.9991","0.0018","21.869","0.004","90","","110.33","0.03","90","","5229","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H99 Br6 N9 Ni3 O28 -","- C82 H99 Br6 N9 Ni3 O28 -","- C164 H198 Br12 N18 Ni6 O56 -","2","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.1406","0.0802","","","0.1967","0.2377","","","","","","0.992","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205817","17.1496","0.0004","17.1496","0.0004","16.3976","0.0008","90","","90","","90","","4822.7","0.3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H48 Br4 N4 Ni4 O16 -","- C36 H48 Br4 N4 Ni4 O16 -","- C144 H192 Br16 N16 Ni16 O64 -","4","0.25","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.03","0.0264","","","0.0679","0.0696","","","","","","1.08","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205818","18.0337","0.0019","20.674","0.002","14.831","0.0016","90","","109.676","0.002","90","","5206.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 N4 Ni4 O22 -","- C44 H56 N4 Ni4 O22 -","- C176 H224 N16 Ni16 O88 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0628","0.0452","","","0.1049","0.113","","","","","","1.058","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205819","39.642","0.006","10.6741","0.0015","19.194","0.003","90","","94.065","0.004","90","","8101","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 N4 Ni4 O15.38 -","- C34 H44 N4 Ni4 O15.416 -","- C272 H352 N32 Ni32 O123.328 -","8","1","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0792","0.0562","","","0.131","0.1402","","","","","","1.087","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205820","10.599","0.005","12.238","0.005","13.468","0.005","73.105","0.005","70.024","0.005","88.139","0.005","1566.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Mo4 N12 Ni O15 -","- C16 H26 Mo4 N12 Ni O15 -","- C32 H52 Mo8 N24 Ni2 O30 -","2","1","","Wang, Xiuli; Li, Jin; Tian, Aixiang; Liu, Guocheng; Gao, Qiang; Lin, Hongyan; Zhao, Dan","A 3D organopolymolybdate polymer with unusual topology functionalized by 1,4-bis(1,2,4-triazol-1-yl)butane through Mo‒N bond","CrystEngComm","2011","13","7","2194","","10.1039/c0ce00845a","","","0.71069","MoKα","","0.0467","0.0332","","","0.0936","0.1172","","","","","","1.091","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205821","9.7616","0.0013","9.9673","0.0013","11.53","0.003","104.062","0.003","99.128","0.003","115.917","0.002","932.6","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Ag N8 O3 -","- C16 H15 Ag N8 O3 -","- C32 H30 Ag2 N16 O6 -","2","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0408","0.0318","","","0.0755","0.0812","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205822","15.282","0.002","15.282","0.002","40.377","0.004","90","","90","","120","","8166.3","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H48 Ag2 N20 O9 -","- C48 H48 Ag2 N20 O9 -","- C288 H288 Ag12 N120 O54 -","6","0.166667","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0931","0.0704","","","0.1886","0.2109","","","","","","1.013","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205823","11.302","0.004","9.866","0.003","19.3","0.005","90","","107.972","0.015","90","","2047.1","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag N7 O5 -","- C18 H20 Ag N7 O5 -","- C72 H80 Ag4 N28 O20 -","4","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0427","0.029","","","0.0716","0.0783","","","","","","1.034","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205824","7.7004","0.0014","9.5195","0.0018","11.112","0.002","79.404","0.003","86.652","0.003","80.058","0.003","788.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 Cu N6 -","- C14 H12 Cl2 Cu N6 -","- C28 H24 Cl4 Cu2 N12 -","2","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.062","0.0453","","","0.1075","0.116","","","","","","1.031","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205825","8.7198","0.0007","10.1265","0.0009","10.9772","0.0009","88.422","0.001","73.732","0.001","72.307","0.001","884.72","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 Cu2 N12 O2 -","- C32 H32 Cl4 Cu2 N12 O2 -","- C32 H32 Cl4 Cu2 N12 O2 -","1","0.5","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0404","0.031","","","0.0703","0.0748","","","","","","1.016","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205826","35.704","0.006","33.36","0.005","8.2196","0.0013","90","","90","","90","","9790","3","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cl4 Cu2 N14 O6 -","- C42 H54 Cl4 Cu2 N14 O6 -","- C336 H432 Cl32 Cu16 N112 O48 -","8","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.1938","0.0916","","","0.1546","0.19","","","","","","1.012","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205827","17.0151","0.0003","17.0151","0.0003","56.2326","0.0017","90","","90","","120","","14099","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Gd9 N12 O44 -","- C72 H37 Gd9 N12 O44 -","- C432 H222 Gd54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.033","0.0325","","","0.0934","0.0938","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205828","17.0615","0.0004","17.0615","0.0004","56.505","0.003","90","","90","","120","","14244.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Eu9 N12 O44 -","- C72 H37 Eu9 N12 O44 -","- C432 H222 Eu54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.0446","0.0432","","","0.1224","0.1237","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205829","8.5848","0.0014","15.017","0.002","10.518","0.0016","90","","101.338","0.003","90","","1329.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu2 N6 S4 -","- C22 H26 Cu2 N6 S4 -","- C44 H52 Cu4 N12 S8 -","2","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0627","0.042","","","0.0941","0.1032","","","","","","0.975","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205830","15.7586","0.001","13.6737","0.0009","33.957","0.002","90","","100.383","0.001","90","","7197.2","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H144 I22 N12 O2 Pb6 -","- C96 H144 I22 N12 O2 Pb6 -","- C192 H288 I44 N24 O4 Pb12 -","2","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.131","0.0596","","","0.1359","0.1585","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205831","26.592","0.0013","11.1777","0.0005","16.1137","0.0008","90","","110.993","0.001","90","","4471.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Ag I3 N2 -","- C18 H26 Ag I3 N2 -","- C144 H208 Ag8 I24 N16 -","8","1","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0325","0.0257","","","0.0622","0.0651","","","","","","1.044","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205832","12.608","0.0007","9.7404","0.0005","25.4217","0.0014","90","","96.403","0.001","90","","3102.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cu4 N8 S6 -","- C24 H26 Cu4 N8 S6 -","- C96 H104 Cu16 N32 S24 -","4","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0249","0.0223","","","0.0563","0.0574","","","","","","1.051","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205833","7.6036","0.0001","8.548","0.0001","13.8275","0.0002","90","","90.3164","0.0007","90","","898.71","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 N8 O4 -","- C12 H28 N8 O4 -","- C24 H56 N16 O8 -","2","0.5","","Bushmarinov, Ivan S.; Nabiev, Orudzh G.; Kostyanovsky, Remir G.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.","The azide anion as a building block in crystal engineering from a charge density point of view","CrystEngComm","2011","13","8","2930","","10.1039/c0ce00859a","","","0.71073","MoKα","","0.074","0.0401","","","0.1021","0.1222","","","","","","1.005","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205834","11.6608","0.0006","39.3981","0.0019","24.4617","0.0012","90","","101.297","0.003","90","","11020.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 Cl0 Mn4 N0 O20 -","- C50 H56 Mn4 O20 -","- C400 H448 Mn32 O160 -","8","1","","Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies","CrystEngComm","2011","13","8","3080","","10.1039/c0ce00864h","","","0.71073","MoKα","","0.0628","0.0574","","","0.1828","0.1885","","","","","","0.991","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205835","9.324","0.004","9.821","0.004","16.303","0.007","87.715","0.012","77.376","0.013","72.201","0.009","1386.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 Mn3 N0 O18 -","- C54 H64 Mn3 O18 -","- C54 H64 Mn3 O18 -","1","0.5","","Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies","CrystEngComm","2011","13","8","3080","","10.1039/c0ce00864h","","","0.71073","MoKα","","0.0725","0.0534","","","0.1303","0.1436","","","","","","1.051","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205836","5.354","0.0011","18.372","0.004","6.8327","0.0014","90","","113.85","0.03","90","","614.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis_1H-1,2,4-Triazole_Succinic_Acid","","","- C8 H12 N6 O4 -","- C8 H12 N6 O4 -","- C16 H24 N12 O8 -","2","0.5","","Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł","Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals","CrystEngComm","2011","13","11","3698","","10.1039/c0ce00866d","","","0.71073","MoKα","","0.1311","0.0566","","","0.0782","0.0886","","","","","","1.179","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205837","5.269","0.0011","18.18","0.004","6.554","0.0013","90","","111.89","0.03","90","","582.5","0.2","12","2","12","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis_1H-1,2,4-TriazoleSuccinic_Acid","","","- C8 H12 N6 O4 -","- C8 H12 N6 O4 -","- C16 H24 N12 O8 -","2","0.5","","Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł","Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals","CrystEngComm","2011","13","11","3698","","10.1039/c0ce00866d","","","0.71073","MoKα","","0.0708","0.0516","","","0.1091","0.1146","","","","","","1.134","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205838","16.713","0.003","21.571","0.003","26.609","0.004","90","","105.28","0.002","90","","9254","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H64 Co3 N6 O20 -","- C84 H64 Co3 N6 O20 -","- C336 H256 Co12 N24 O80 -","4","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.1169","0.0613","","","0.1697","0.1901","","","","","","0.968","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205839","10.736","0.006","11.514","0.006","13.49","0.007","83.963","0.007","77.484","0.006","63.637","0.005","1458.5","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 Ni O8 -","- C30 H32 N2 Ni O8 -","- C60 H64 N4 Ni2 O16 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.1324","0.0716","","","0.165","0.1998","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205840","10.1829","0.0015","11.9666","0.0018","12.957","0.002","86.208","0.002","71.776","0.002","64.945","0.002","1354.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29.26 Co N2 O7.63 -","- C29 H29.258 Co N2 O7.629 -","- C58 H58.516 Co2 N4 O15.258 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.0852","0.054","","","0.1435","0.1832","","","","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205841","7.66","0.003","10.26","0.004","12.88","0.005","110.07","0.005","93.73","0.005","105.24","0.005","903.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N2 O4 Zn -","- C21 H16 N2 O4 Zn -","- C42 H32 N4 O8 Zn2 -","2","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.0574","0.0466","","","0.1251","0.1337","","","","","","1.124","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205842","35.298","0.003","11.5573","0.0011","21.1145","0.0019","90","","96.523","0.001","90","","8557.9","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H80 N8 O16 Zn4 -","- C88 H80 N8 O16 Zn4 -","- C352 H320 N32 O64 Zn16 -","4","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.1378","0.0636","","","0.1432","0.1655","","","","","","1.017","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205843","32.8723","0.0016","32.8723","0.0016","8.4085","0.0008","90","","90","","120","","7868.8","0.9","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H12 N6 O5 Zn2 -","- C13 H12 N6 O5 Zn2 -","- C234 H216 N108 O90 Zn36 -","18","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.0386","0.0288","","","0.0735","0.077","","","","","","1.076","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205844","32.207","0.006","13.378","0.003","15.871","0.003","90","","91.05","0.03","90","","6837","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cd3 N6 O15.5 -","- C56 H54 Cd3 N6 O15.5 -","- C224 H216 Cd12 N24 O62 -","4","0.5","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0899","0.063","","","0.1672","0.1826","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205845","11.64","0.002","20.436","0.004","9.7263","0.0019","90","","90","","90","","2313.6","0.8","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H30 N4 O4 Zn -","- C24 H29 N4 O4 Zn -","- C96 H116 N16 O16 Zn4 -","4","0.5","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0576","0.0509","","","0.1194","0.1234","","","","","","1.055","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205846","16.91","0.003","5.8674","0.0012","17.368","0.003","90","","108.49","0.03","90","","1634.3","0.6","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 Cd N2 O5 -","- C16 H20 Cd N2 O5 -","- C64 H80 Cd4 N8 O20 -","4","1","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0333","0.0266","","","0.0644","0.0656","","","","","","1.098","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205847","10.677","0.002","10.741","0.002","12.069","0.002","81.66","0.03","89.72","0.03","68.68","0.03","1274","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 N2 O10 Zn -","- C21 H36 N2 O10 Zn -","- C42 H72 N4 O20 Zn2 -","2","1","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0585","0.0441","","","0.1115","0.1197","","","","","","1.047","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205848","11.682","0.002","15.1662","0.0015","15.468","0.002","96.085","0.002","109.65","0.003","90.622","0.002","2563.2","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Co2 N8 O20 -","- C48 H34 Co2 N8 O20 -","- C96 H68 Co4 N16 O40 -","2","1","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0755","0.0592","","","0.1391","0.1443","","","","","","1.095","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205849","11.145","0.0015","12.424","0.002","22.18","0.0012","102.016","0.002","103.475","0.003","95.419","0.002","2888","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 Gd4 N18 O61 -","- C72 H74 Co2 Gd4 N18 O61 -","- C72 H74 Co2 Gd4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0825","0.0538","","","0.1111","0.1171","","","","","","1.02","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205850","11.0396","0.0013","12.511","0.0016","22.498","0.002","101.492","0.002","102.416","0.003","95.975","0.002","2938.6","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 La4 N18 O61 -","- C72 H74 Co2 La4 N18 O61 -","- C72 H74 Co2 La4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.079","0.0547","","","0.1132","0.1187","","","","","","1.046","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205851","11.2397","0.0008","12.4964","0.0009","22.302","0.0016","102.114","0.001","103.41","0.002","95.597","0.001","2943.8","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 N18 O61 Sm4 -","- C72 H74 Co2 N18 O61 Sm4 -","- C72 H74 Co2 N18 O61 Sm4 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0572","0.0373","","","0.085","0.0897","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205852","11.1668","0.0011","12.4554","0.0012","22.2593","0.0015","101.986","0.001","103.319","0.002","95.548","0.001","2912.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 Eu4 N18 O61 -","- C72 H74 Co2 Eu4 N18 O61 -","- C72 H74 Co2 Eu4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0629","0.0438","","","0.1045","0.1095","","","","","","1.088","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205853","17.4216","0.001","10.6092","0.0006","7.4959","0.0004","90","","90","","90","","1385.46","0.13","296","2","296","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C12 H10 Ba N2 O8 -","- C12 H11 Ba N2 O8 -","- C48 H44 Ba4 N8 O32 -","4","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0387","0.0389","","","","","","1.173","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205854","13.831","0.002","13.831","0.002","27.458","0.008","90","","90","","90","","5252.6","1.9","296","2","296","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C192 H128 Cu16 N32 O112 -","16","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.059","0.0403","","","0.1102","0.1223","","","","","","1.031","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205855","14.0543","0.0003","6.1624","0.0002","15.0156","0.0005","90","","111.797","0.001","90","","1207.5","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","2","magnesium naproxen monohydrate","","- C28 H28 Mg O7 -","- C28 H28 Mg O7 -","- C56 H56 Mg2 O14 -","2","1","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","","","0.71073","MoKα","","0.0593","0.0438","","","0.0838","0.0914","","","","","","1.088","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205856","43.6732","0.0037","5.88876","0.00052","5.14629","0.00039","90","","90","","90","","1323.53","0.19","291","","291","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Mg O10 -","- C28 H26 Mg O10 -","- C56 H52 Mg2 O20 -","2","0.5","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0253","","1.71","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205857","9.159","0.003","10.311","0.003","10.797","0.003","69.736","0.008","82.11","0.012","87.822","0.011","947.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cu4 Mo8 N10 O32 -","- C12 H14 Cu4 Mo8 N10 O32 -","- C12 H14 Cu4 Mo8 N10 O32 -","1","0.5","","Wu, Xiao-Yuan; Dong, Ping; Yu, Rongmin; Zhang, Qi-Kai; Kuang, Xiaofei; Chen, Shan-Ci; Lin, Qi-Pu; Lu, Can-Zhong","A 2D polyoxometalate-based complex: spin-canting and metamagnetism","CrystEngComm","2011","13","11","3686","","10.1039/c0ce00905a","","","0.71073","MoKα","","0.0461","0.0344","","","0.0958","0.1353","","","","","","1.157","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205858","29.394","0.016","5.317","0.002","18.588","0.01","90","","118.972","0.007","90","","2542","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu2 N3 O2 -","- C14 H8 Cu2 N3 O2 -","- C112 H64 Cu16 N24 O16 -","8","1","","Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong","Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties","CrystEngComm","2011","13","12","4032","","10.1039/c0ce00907e","","","0.71073","MoKα","","0.0587","0.0437","","","0.1091","0.1276","","","","","","1.091","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205859","20.435","0.003","4.9321","0.0004","15.875","0.002","90","","105.577","0.005","90","","1541.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu2 N4 O5 -","- C14 H14 Cu2 N4 O5 -","- C56 H56 Cu8 N16 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong","Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties","CrystEngComm","2011","13","12","4032","","10.1039/c0ce00907e","","","0.71073","MoKα","","0.0672","0.0534","","","0.1552","0.1672","","","","","","1.073","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205860","6.8023","0.0011","12.19","0.002","14.598","0.002","79.24","0.001","77.46","0.003","80.735","0.002","1151.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag N6 Nd O12 -","- C20 H18 Ag N6 Nd O12 -","- C40 H36 Ag2 N12 Nd2 O24 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71073","MoKα","","0.0391","0.0384","","","0.1036","0.1045","","","","","","1.023","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205861","6.77","0.003","12.168","0.006","14.601","0.007","79.594","0.017","77.637","0.017","80.502","0.018","1145.5","0.9","200","","200","","","","","","","","","6","P -1","-P 1","2","(EuAg(L01)2(H2O)4)","","","- C20 H18 Ag Eu N6 O12 -","- C20 H18 Ag Eu N6 O12 -","- C40 H36 Ag2 Eu2 N12 O24 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0309","0.0279","","","0.069","0.0699","","","","","","1.087","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205862","6.755","0.003","12.104","0.004","14.524","0.005","79.526","0.013","77.666","0.014","80.439","0.015","1130.7","0.7","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag N6 O12 Tb -","- C20 H18 Ag N6 O12 Tb -","- C40 H36 Ag2 N12 O24 Tb2 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0262","0.022","","","0.0536","0.0543","","","","","","1.088","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205863","14.4621","0.001","17.0741","0.0011","9.1373","0.0006","90","","115.425","0.001","90","","2037.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag N6 Nd O8 -","- C20 H10 Ag N6 Nd O8 -","- C80 H40 Ag4 N24 Nd4 O32 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71073","MoKα","","0.0282","0.0273","","","0.0789","0.0798","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205864","14.358","0.005","16.949","0.006","9.127","0.003","90","","115.676","0.015","90","","2001.8","1.2","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag Eu N6 O8 -","- C20 H10 Ag Eu N6 O8 -","- C80 H40 Ag4 Eu4 N24 O32 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0168","0.0162","","","0.0404","0.0406","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205865","14.326","0.005","16.855","0.006","9.095","0.004","90","","115.654","0.017","90","","1979.6","1.3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag N6 O8 Tb -","- C20 H10 Ag N6 O8 Tb -","- C80 H40 Ag4 N24 O32 Tb4 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0204","0.02","","","0.0492","0.0494","","","","","","1.1","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205866","7.58","0.002","9.975","0.003","14.591","0.006","92.161","0.014","92.42","0.013","109.51","0.012","1037.4","0.6","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Ag Er N6 O10 -","- C20 H14 Ag Er N6 O10 -","- C40 H28 Ag2 Er2 N12 O20 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0205","0.0192","","","0.0474","0.0477","","","","","","1.159","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205867","7.55","0.002","9.951","0.004","14.564","0.005","92.128","0.016","92.46","0.013","109.383","0.015","1029.7","0.6","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Ag N6 O10 Yb -","- C20 H14 Ag N6 O10 Yb -","- C40 H28 Ag2 N12 O20 Yb2 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0226","0.0214","","","0.0521","0.0524","","","","","","1.133","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205868","17.401","0.013","12.226","0.008","5.324","0.004","90","","106.19","0.011","90","","1087.7","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba Gd K Mo3 O12 -","- Ba Gd K Mo3 O12 -","- Ba4 Gd4 K4 Mo12 O48 -","4","0.5","","Meng, Xiangming; Lin, Zhoubin; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu","Structure and spectral properties of Nd3±doped KBaGd(MoO4)3 crystal with a disorder structure","CrystEngComm","2011","13","12","4069","","10.1039/c0ce00922a","","","0.71073","MoKα","","0.0203","0.019","","","0.0468","0.0474","","","","","","1.064","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205869","16.0731","0.0006","5.4794","0.0002","21.8203","0.0008","90","","108.287","0.002","90","","1824.68","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Ag3 N8 O12 Tb -","- C32 H26 Ag3 N8 O12 Tb -","- C64 H52 Ag6 N16 O24 Tb2 -","2","0.5","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","3861","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0496","0.0388","","","0.0863","0.0913","","","","","","1.012","","","","has coordinates","180548","2020-10-21","18:00:00",""
"7205870","8.8964","0.0009","12.3459","0.0013","13.86","0.0014","72.95","0.001","84.272","0.001","71.648","0.001","1381.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Ag2 Eu N6 O9 -","- C26 H19 Ag2 Eu N6 O9 -","- C52 H38 Ag4 Eu2 N12 O18 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0418","0.0352","","","0.079","0.0832","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205871","15.993","0.002","5.3401","0.0007","18.709","0.002","90","","101.289","0.002","90","","1566.9","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 Er N8 O8 -","- C32 H20 Br Cu2 Er N8 O8 -","- C64 H40 Br2 Cu4 Er2 N16 O16 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0342","0.0295","","","0.0634","0.0655","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205872","16.1117","0.0014","5.3028","0.0005","18.7099","0.0017","90","","101.111","0.001","90","","1568.6","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 N8 O8 Yb -","- C32 H20 Br Cu2 N8 O8 Yb -","- C64 H40 Br2 Cu4 N16 O16 Yb2 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0335","0.0307","","","0.0679","0.0692","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205873","9.742","0.003","12.158","0.003","12.383","0.003","61.15","0.003","76.851","0.003","82.676","0.004","1250.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H15 Ag N6 O8 Tb -","- C25 H15 Ag N6 O8 Tb -","- C50 H30 Ag2 N12 O16 Tb2 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0669","0.0524","","","0.1244","0.1338","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205874","23.261","0.004","13.8565","0.0019","24.237","0.004","90","","106.222","0.002","90","","7501","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H85 Br6 Cl4 Cu7 N17 O9 -","- C50 H54 Br6 Cl4 Cu7 N17 O9 -","- C200 H216 Br24 Cl16 Cu28 N68 O36 -","4","0.5","","Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen","Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate","CrystEngComm","2011","13","8","2820","","10.1039/c0ce00933d","","","0.71073","MoKα","","0.1055","0.0923","","","0.1666","0.1729","","","","","","1.147","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205875","24.3342","0.0013","22.3283","0.0012","14.4168","0.0008","90","","90","","90","","7833.2","0.7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C54 H96 Br6 Cl4 Cu7 N20 O12 -","- C48 H68 Br6 Cl4 Cu7 N18 O10 -","- C192 H272 Br24 Cl16 Cu28 N72 O40 -","4","0.5","","Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen","Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate","CrystEngComm","2011","13","8","2820","","10.1039/c0ce00933d","","","0.71073","MoKα","","0.0703","0.0462","","","0.1261","0.1417","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205876","16.4547","0.0004","16.4547","0.0004","27.7701","0.0014","90","","90","","120","","6511.6","0.4","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H15 Cu4 I4 N6 -","- C12 H15 Cu4 I4 N6 -","- C144 H180 Cu48 I48 N72 -","12","0.333333","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0389","0.0317","","","0.0732","0.0761","","","","","","0.993","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205877","14.8878","0.0006","15.1363","0.0006","23.6357","0.0009","90","","90","","90","","5326.2","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cu4 I4 N8 -","- C16 H20 Cu4 I4 N8 -","- C128 H160 Cu32 I32 N64 -","8","1","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0518","0.0366","","","0.0826","0.0908","","","","","","1.018","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205878","23.253","0.006","7.6111","0.0019","14.573","0.004","90","","90","","90","","2579.1","1.2","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H5 Cd Cl N8 -","- C8 H5 Cd Cl N8 -","- C32 H20 Cd4 Cl4 N32 -","4","0.25","","Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu","Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity","CrystEngComm","2011","13","7","2201","","10.1039/c0ce00961j","","","0.71073","MoKα","","0.0604","0.0538","","","0.1459","0.1493","","","","","","0.994","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205879","8.7396","0.0014","9.1057","0.0015","10.0556","0.0016","74.388","0.002","82.547","0.002","77.733","0.002","750.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cd5 Cl6 N16 O2 -","- C18 H16 Cd5 Cl6 N16 O2 -","- C18 H16 Cd5 Cl6 N16 O2 -","1","0.5","","Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu","Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity","CrystEngComm","2011","13","7","2201","","10.1039/c0ce00961j","","","0.71073","MoKα","","0.0243","0.0201","","","0.0496","0.0518","","","","","","1.104","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205880","13.3278","0.0017","8.2658","0.001","10.1631","0.0013","90","","97.45","0.002","90","","1110.2","0.2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(((2PyHCH2PO3H)Mn(H2O))(ClO4))N","","","- C12 H18 Cl2 Mn N2 O16 P2 -","- C12 H18 Cl2 Mn N2 O16 P2 -","- C24 H36 Cl4 Mn2 N4 O32 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0893","0.0749","","","0.2358","0.2525","","","","","","1.169","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205881","13.398","0.003","8.2442","0.0019","10.04","0.002","90","","97.348","0.004","90","","1099.9","0.4","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(2PyCH2PO3Mn(H2O)(ClO4))N","","","- C12 H20 Cl2 Co N2 O16 P2 -","- C12 H20 Cl2 Co N2 O16 P2 -","- C24 H40 Cl4 Co2 N4 O32 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0702","0.0486","","","0.1233","0.1396","","","","","","1.042","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205882","11.051","0.003","14.563","0.004","20.651","0.006","90","","92.526","0.006","90","","3320.3","1.6","213","2","213","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","(Fe4(PyHCH2PO3)4(H2O)12(Cl)(ClO4)7xH2O)","","","- C24 H54 Cl8 Fe4 N4 O53 P4 -","- C24 H52 Cl8 Fe4 N4 O53 P4 -","- C48 H104 Cl16 Fe8 N8 O106 P8 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0971","0.0666","","","0.1756","0.2009","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205883","23.6196","0.0007","23.6196","0.0007","9.5024","0.0003","90","","90","","120","","4591","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","(((2PyHCH2PO3H)Fe2)(ClO4))n","","","- C18 H24 Cl3 Fe N3 O21 P3 -","- C18 H24 Cl3 Fe N3 O21 P3 -","- C108 H144 Cl18 Fe6 N18 O126 P18 -","6","0.333333","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0664","0.0407","","","0.0823","0.0904","","","","","","1.022","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205884","13.517","0.0008","8.2636","0.0004","10.391","0.0004","90","","97.108","0.004","90","","1151.75","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(((2PyHCH2PO3H)Fe(H2O))ClO4)n","","","- C12 H20 Cl2 Fe N2 O16 P2 -","- C12 H20 Cl2 Fe N2 O15.98 P2 -","- C24 H40 Cl4 Fe2 N4 O31.96 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.1014","0.0803","","","0.2291","0.2536","","","","","","1.04","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205885","13.9027","0.0019","9.8255","0.0014","7.9178","0.0011","90","","104.871","0.002","90","","1045.4","0.3","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((2PyCH2PO3)AgPb(NO3))n","","","- C6 H6 Ag N2 O6 P Pb -","- C6 H6 Ag N2 O6 P Pb -","- C24 H24 Ag4 N8 O24 P4 Pb4 -","4","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0557","0.0425","","","0.0993","0.108","","","","","","1.075","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205886","13.144","0.01","9.394","0.008","16.244","0.013","90","","108.812","0.015","90","","1899","3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","((2PyHCH2PO3)Ag3(SO3CF3)2)N","","","- C8 H7 Ag3 F6 N O9 P S2 -","- C8 H7 Ag3 F6 N O9 P S2 -","- C32 H28 Ag12 F24 N4 O36 P4 S8 -","4","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.1294","0.0446","","","0.0848","0.118","","","","","","1.003","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205887","5.4028","0.0004","10.136","0.0008","11.8724","0.0009","73.613","0.001","84.532","0.001","82.593","0.001","617.36","0.08","213","2","213","2","","","","","","","","6","P -1","-P 1","2","((2PyHCH2PO3H2)Pb(NO3)2)N","","","- C6 H8 N3 O9 P Pb -","- C6 H8 N3 O9 P Pb -","- C12 H16 N6 O18 P2 Pb2 -","2","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0406","0.0366","","","0.0922","0.0955","","","","","","1.022","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205888","7.637","0.0015","14.692","0.003","9.4326","0.0019","90","","98.76","0.03","90","","1046","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O S -","- C10 H9 N3 O S -","- C40 H36 N12 O4 S4 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.0692","0.057","","","0.1414","0.1496","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205889","7.753","0.0016","33.697","0.007","9.3858","0.0019","90","","93.8","0.03","90","","2446.7","0.9","298","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 Hg N6 O2 S2 -","- C20 H18 Cl2 Hg N6 O2 S2 -","- C80 H72 Cl8 Hg4 N24 O8 S8 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.0727","0.0565","","","0.1414","0.1514","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205890","7.798","0.005","34.458","0.024","9.449","0.007","90","","94.53","0.005","90","","2531","3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","from C:/gsas/MyWork/TTT4-EDITED.CIF","","","- C20 H18 Br2 Hg N6 O2 S2 -","- C20 H18 Br2 Hg N6 O2 S2 -","- C80 H72 Br8 Hg4 N24 O8 S8 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.08258","","1.4","","","","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205891","17.4171","0.0018","10.4197","0.0011","8.7144","0.0009","90","","92.169","0.008","90","","1580.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Hg I2 N3 O S -","- C10 H9 Hg I2 N3 O S -","- C40 H36 Hg4 I8 N12 O4 S4 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.1153","0.0681","","","0.1417","0.1616","","","","","","1.106","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205892","14.44","0.004","17.799","0.004","19.906","0.005","92.501","0.004","103.026","0.004","110.987","0.004","4610","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H172 As4 N24 Ni24 O174 W34 -","- C24 H96 As4 N24 Ni24 O174 W34 -","- C24 H96 As4 N24 Ni24 O174 W34 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two 1-D multi-nickel substituted arsenotungstate aggregates","CrystEngComm","2011","13","10","3462","","10.1039/c0ce00983k","","","0.71073","MoKα","","0.0642","0.0412","","","0.0863","0.0959","","","","","","1.017","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205893","14.96","0.006","16.918","0.006","21.193","0.008","88.785","0.006","79.214","0.006","72.936","0.005","5034","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H174 As4 N30 Ni24 O163 W34 -","- C30 H116 As4 N30 Ni24 O163 W34 -","- C30 H116 As4 N30 Ni24 O163 W34 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two 1-D multi-nickel substituted arsenotungstate aggregates","CrystEngComm","2011","13","10","3462","","10.1039/c0ce00983k","","","0.71073","MoKα","","0.0562","0.0417","","","0.0979","0.1031","","","","","","1.064","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205894","6.0496","0.0013","8.1335","0.0017","19.475","0.004","84.322","0.005","81.261","0.004","89.672","0.005","942.4","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","1","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0549","0.0521","","","0.129","0.1304","","","","","","1.127","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205895","7.0688","0.0011","7.4648","0.0012","21.049","0.004","90","","96.734","0.004","90","","1103","0.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 Ni O7 -","- C23 H26 N2 Ni O7 -","- C46 H52 N4 Ni2 O14 -","2","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0558","0.0472","","","0.0992","0.1039","","","","","","1.058","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205896","6.9571","0.0005","7.5601","0.0005","41.523","0.003","90","","93.349","0.001","90","","2180.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N Ni O8.5 -","- C21 H26 N Ni O8.5 -","- C84 H104 N4 Ni4 O34 -","4","2","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0452","0.0422","","","0.0958","0.0971","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205897","6.7676","0.0006","7.2311","0.0007","14.1591","0.0013","82.763","0.002","84.102","0.002","66.047","0.002","627.17","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H8 Ba O6 -","- C15 H8 Ba O6 -","- C30 H16 Ba2 O12 -","2","2","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0267","0.0261","","","0.0683","0.0687","","","","","","1.054","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7205898","7.7123","0.0002","28.5057","0.0008","6.6459","0.0002","90","","105.05","0.002","90","","1410.95","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cd O8 -","- C15 H12 Cd O8 -","- C60 H48 Cd4 O32 -","4","1","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0288","0.0257","","","0.0676","0.0695","","","","","","1.045","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205899","26.943","0.002","7.2476","0.0006","6.9261","0.0005","90","","97.703","0.002","90","","1340.27","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Mn O7 -","- C15 H10 Mn O7 -","- C60 H40 Mn4 O28 -","4","0.5","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0312","0.0258","","","0.0631","0.066","","","","","","1.045","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205900","18.1708","0.0007","6.5265","0.0002","17.4683","0.0007","90","","116.771","0.001","90","","1849.55","0.12","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis[dimethyl(vinyl)silylcyclopentadienylnickel","","- C18 H26 Ni2 Si2 -","- C18 H26 Ni2 Si2 -","- C72 H104 Ni8 Si8 -","4","0.5","","Kamiński, Radosław; Herbaczyńska, Beata; Srebro, Monika; Pietrzykowski, Antoni; Michalak, Artur; Jerzykiewicz, Lucjan B.; Woźniak, Krzysztof","On the nature of NiNi interaction in a model dimeric Ni complex.","Physical chemistry chemical physics : PCCP","2011","13","21","10280","10284","10.1039/c0cp01984d","","x-ray","0.71073","MoKα","","0.018","0.012","","","","0.034","0.017","","","","","1.072","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205901","11.932","0.002","16.268","0.003","16.358","0.003","77.24","0.03","72.99","0.03","72.58","0.03","2866","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","benzodiazacoronand","N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide","","- C57 H70 N6 O20 -","- C57 H70 N6 O20 -","- C114 H140 N12 O40 -","2","1","","Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.","Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.","Physical chemistry chemical physics : PCCP","2011","13","14","6423","6433","10.1039/c0cp02401e","","","0.82657","synchrotron","","0.0579","0.0558","","","0.1485","0.1505","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205902","16.375","0.002","27.574","0.002","23.898","0.003","90","","109.868","0.01","90","","10148","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzodiazacoronand","N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide","","- C108 H118 N12 O33 -","- C108 H118 N12 O33 -","- C432 H472 N48 O132 -","4","1","","Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.","Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.","Physical chemistry chemical physics : PCCP","2011","13","14","6423","6433","10.1039/c0cp02401e","","","0.8088","synchrotron","","0.05","0.0474","","","0.1302","0.1331","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205903","13.471","0.003","18.802","0.004","12.373","0.003","90","","95.42","0.03","90","","3119.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzodiazacoronand","N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide","","- C34 H37 N3 O8 -","- C34 H37 N3 O8 -","- C136 H148 N12 O32 -","4","1","","Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.","Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.","Physical chemistry chemical physics : PCCP","2011","13","14","6423","6433","10.1039/c0cp02401e","","","0.82657","synchrotron","","0.0607","0.0596","","","0.157","0.1579","","","","","","1.006","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205904","24.862","0.005","31.758","0.006","20.555","0.004","90","","90","","90","","16230","5","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C99 H99 Bi8 I33 N18 -","- C99 H99 Bi8 I33 N18 -","- C396 H396 Bi32 I132 N72 -","4","0.5","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.1118","0.0893","","","0.1949","0.2076","","","","","","1.189","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205905","8.4498","0.0017","31.165","0.006","21.534","0.004","90","","90","","90","","5670.7","1.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H39 Bi2.67 I11 N6 -","- C36 H39 Bi2.667 I11 N6 -","- C144 H156 Bi10.668 I44 N24 -","4","0.5","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.0767","0.063","","","0.1736","0.1842","","","","","","1.14","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205906","20.254","0.004","11.741","0.002","25.352","0.005","90","","90","","90","","6029","2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Bi2 I8 N2 -","- C14 H18 Bi2 I8 N2 -","- C112 H144 Bi16 I64 N16 -","8","1","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.0988","0.0634","","","0.1426","0.163","","","","","","1.043","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205907","8.818","0.002","10.459","0.002","16.684","0.004","73.495","0.003","82.566","0.004","65.165","0.003","1338.8","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N2 O6 S -","- C24 H36 N2 O6 S -","- C48 H72 N4 O12 S2 -","2","1","","Shaabani, Ahmad; Sarvary, Afshin; Ghasemi, Sabrieh; Rezayan, Ali Hossein; Ghadari, Rahim; Ng, Seik Weng","An environmentally benign approach for the synthesis of bifunctional sulfonamide-amide compounds via isocyanide-based multicomponent reactions","Green Chemistry","2011","13","3","582","","10.1039/c0gc00442a","","","0.71073","MoKα","","0.1706","0.0722","","","0.194","0.2562","","","","","","1.01","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205908","11.2071","0.0008","23.3231","0.0015","11.1208","0.0008","90","","117.989","0.001","90","","2566.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N2 O7 S -","- C24 H30 N2 O7 S -","- C96 H120 N8 O28 S4 -","4","1","","Shaabani, Ahmad; Sarvary, Afshin; Ghasemi, Sabrieh; Rezayan, Ali Hossein; Ghadari, Rahim; Ng, Seik Weng","An environmentally benign approach for the synthesis of bifunctional sulfonamide-amide compounds via isocyanide-based multicomponent reactions","Green Chemistry","2011","13","3","582","","10.1039/c0gc00442a","","","0.71073","MoKα","","0.0912","0.0618","","","0.1576","0.1768","","","","","","1.079","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205909","5.6284","0.0002","12.5878","0.0004","15.935","0.0004","90","","98.913","0.002","90","","1115.35","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N3 O2 -","- C9 H9 Cl2 N3 O2 -","- C36 H36 Cl8 N12 O8 -","4","1","","Li, Da-Peng; Zhang, Guang-Liang; An, Li-Tao; Zou, Jian-Ping; Zhang, Wei","Solvent- and catalyst-free synthesis of 2,3-dihydro-1H-benzo[d]imidazoles","Green Chemistry","2011","13","3","594","","10.1039/c0gc00572j","","","0.71073","MoKα","","0.0622","0.0578","","","0.151","0.1552","","","","","","1.086","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205910","13.622","0.003","7.8211","0.0011","9.8987","0.0017","90","","104.1","0.02","90","","1022.8","0.3","193","2","193","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C7 H18 Cl N3 -","- C7 H18 Cl N3 -","- C28 H72 Cl4 N12 -","4","0.5","","Oelkers, Benjamin; Sundermeyer, Jörg","Pentaalkylmethylguanidinium methylcarbonates ‒ versatile precursors for the preparation of halide-free and metal-free guanidinium-based ILs","Green Chemistry","2011","13","3","608","","10.1039/c0gc00698j","","","0.71073","MoKα","","0.0933","0.0701","","","0.2253","0.232","","","","","","1.257","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205911","24.575","0.003","13.3527","0.0012","20.4212","0.0018","90","","105.367","0.007","90","","6461.5","1.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H48 F6 Ir N6 P -","- C69 H48 F6 Ir N6 P -","- C276 H192 F24 Ir4 N24 P4 -","4","0.5","","Chen, Hsiao-Fan; Wong, Ken-Tsung; Liu, Yi-Hung; Wang, Yu; Cheng, Yi-Ming; Chung, Min-Wen; Chou, Pi-Tai; Su, Hai-Ching","Bis(diphenylamino)-9,9′-spirobifluorene functionalized Ir(iii) complex: a conceptual design en route to a three-in-one system possessing emitting core and electron and hole transport peripherals","Journal of Materials Chemistry","2011","21","3","768","","10.1039/c0jm02097d","","","0.71073","MoKα","","0.1947","0.1058","","","0.2521","0.3105","","","","","","1.145","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205912","26.259","0.005","14.225","0.003","16.316","0.003","90","","94.423","0.004","90","","6076","2","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H27 N3 -","- C42 H27 N3 -","- C336 H216 N24 -","8","2","","Jiang, Wei; Duan, Lian; Qiao, Juan; Dong, Guifang; Zhang, Deqiang; Wang, Liduo; Qiu, Yong","High-triplet-energy tri-carbazole derivatives as host materials for efficient solution-processed blue phosphorescent devices","Journal of Materials Chemistry","2011","21","13","4918","","10.1039/c0jm03365k","","","0.71073","MoKα","","0.1939","0.094","","","0.1153","0.135","","","","","","1.082","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205913","7.591","0.006","10.23","0.008","8.184","0.006","90","","92.799","0.011","90","","634.8","0.8","298","11","298","11","","","","","","","","4","P 1 21 1","P 2yb","4","Cu(ii)malate enantiomer D","","","- C8 H14 Cu O12 -","- C8 H14 Cu O12 -","- C16 H28 Cu2 O24 -","2","1","","Gudavarthy, Rakesh V.; Burla, Niharika; Kulp, Elizabeth A.; Limmer, Steven J.; Sinn, Ekkehard; Switzer, Jay A.","Epitaxial electrodeposition of chiral CuO films from copper(ii) complexes of malic acid on Cu(111) and Cu(110) single crystals","Journal of Materials Chemistry","2011","21","17","6209","","10.1039/c0jm03423a","","","0.71073","MoKα","","0.0243","0.024","","","0.0659","0.0661","","","","","","1.054","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205914","7.584","0.004","10.214","0.005","8.169","0.004","90","","92.778","0.007","90","","632.1","0.6","298","11","298","11","","","","","","","","4","P 1 21 1","P 2yb","4","Cu(ii)malate enantiomer L","","","- C8 H14 Cu O12 -","- C8 H14 Cu O12 -","- C16 H28 Cu2 O24 -","2","1","","Gudavarthy, Rakesh V.; Burla, Niharika; Kulp, Elizabeth A.; Limmer, Steven J.; Sinn, Ekkehard; Switzer, Jay A.","Epitaxial electrodeposition of chiral CuO films from copper(ii) complexes of malic acid on Cu(111) and Cu(110) single crystals","Journal of Materials Chemistry","2011","21","17","6209","","10.1039/c0jm03423a","","","0.71073","MoKα","","0.0245","0.0241","","","0.0663","0.0666","","","","","","1.024","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205915","8.478","0.006","7.43","0.005","10.295","0.007","90","","102.581","0.009","90","","632.9","0.8","298","11","298","11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cu(ii)malate racemic DL","","","- C8 H14 Cu O12 -","- C8 H14 Cu O12 -","- C16 H28 Cu2 O24 -","2","0.5","","Gudavarthy, Rakesh V.; Burla, Niharika; Kulp, Elizabeth A.; Limmer, Steven J.; Sinn, Ekkehard; Switzer, Jay A.","Epitaxial electrodeposition of chiral CuO films from copper(ii) complexes of malic acid on Cu(111) and Cu(110) single crystals","Journal of Materials Chemistry","2011","21","17","6209","","10.1039/c0jm03423a","","","0.71073","MoKα","","0.0318","0.0294","","","0.0777","0.0806","","","","","","1.13","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205916","9.84196","0.00004","9.84196","0.00004","10.68317","0.00006","90","","90","","120","","896.177","0.007","298","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Al2 N18.939 O2.061 Si9 Y6.313 -","- Al1.99899 N18.9397 O2.0601 Si9 Y6.31347 -","- Al3.99798 N37.8794 O4.1202 Si18 Y12.6269 -","2","0.333333","","Park, Woon Bae; Singh, Satendra Pal; Pyo, Myoungho; Sohn, Kee-Sun","Y6+x/3Si11−yAlyN20+x−yO1−x+y:Re3+ (Re = Ce3+, Tb3+, Sm3+) phosphors identified by solid-state combinatorial chemistry","Journal of Materials Chemistry","2011","21","15","5780","","10.1039/c0jm03538f","powder diffraction","","1.5493","Synchrotron","","","","","","","","","3.1907","","","","","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205917","10.6431","0.0002","10.6431","0.0002","10.6431","0.0002","90","","90","","90","","1205.6","0.04","298","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- O3 Y2 -","- O2.99994 Y1.99997 -","- O47.999 Y31.9995 -","16","0.333333","","Park, Woon Bae; Singh, Satendra Pal; Pyo, Myoungho; Sohn, Kee-Sun","Y6+x/3Si11−yAlyN20+x−yO1−x+y:Re3+ (Re = Ce3+, Tb3+, Sm3+) phosphors identified by solid-state combinatorial chemistry","Journal of Materials Chemistry","2011","21","15","5780","","10.1039/c0jm03538f","powder diffraction","","1.5493","Synchrotron","","","","","","","","","6.3456","","","","","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205918","7.5492","0.0004","10.4571","0.0005","10.9153","0.0005","90","","110.806","0.005","90","","805.49","0.07","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- N2 O7 Si2 Y4 -","- N2.0002 O6.9998 Si2 Y4 -","- N8.0008 O27.9992 Si8 Y16 -","4","1","","Park, Woon Bae; Singh, Satendra Pal; Pyo, Myoungho; Sohn, Kee-Sun","Y6+x/3Si11−yAlyN20+x−yO1−x+y:Re3+ (Re = Ce3+, Tb3+, Sm3+) phosphors identified by solid-state combinatorial chemistry","Journal of Materials Chemistry","2011","21","15","5780","","10.1039/c0jm03538f","powder diffraction","","1.5493","Synchrotron","","","","","","","","","9.3016","","","","","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205919","6.8239","0.0004","7.2324","0.0003","35.2082","0.0015","90","","90","","90","","1737.64","0.15","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Yoon, Seong-Jun; Park, SooYoung","Polymorphic and mechanochromic luminescence modulation in the highly emissive dicyanodistyrylbenzene crystal: secondary bonding interaction in molecular stacking assembly","Journal of Materials Chemistry","2011","21","23","8338","","10.1039/c0jm03711g","","","0.71073","MoKα","","0.0665","0.0461","","","0.1319","0.1538","","","","","","1.14","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205920","5.96","0.002","7.634","0.003","18.603","0.007","90.145","0.006","95.804","0.006","97.105","0.006","835.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Ca O10 -","- C16 H14 Ca O10 -","- C32 H28 Ca2 O20 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.0885","0.0509","","","0.0915","0.1015","","","","","","0.912","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205921","5.8133","0.0001","7.4885","0.0002","18.6076","0.0006","90.404","0.001","95.523","0.002","95.088","0.002","803.01","0.04","120","","120","2","","","","","","","","4","P -1","-P 1","2","Cadmium anthraquinone-2,3-dicarboxylate","","","- C16 H14 Cd O10 -","- C16 H14 Cd O10 -","- C32 H28 Cd2 O20 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.0524","0.0515","","","0.1409","0.1425","","","","","","1.082","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205922","5.8534","0.0017","7.504","0.002","18.599","0.005","91.1","0.02","95.03","0.02","95.97","0.02","809.1","0.4","298.1","","298.1","","","","","","","","","4","P -1","-P 1","2","Cadmium anthraquinone-2,3-dicarboxylate","","","- C16 H14 Cd O10 -","- C16 H14 Cd O10 -","- C32 H28 Cd2 O20 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.7107","MoKα","","0.0775","0.05","","","0.1302","0.1659","","","","","","1.093","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205923","5.799","0.002","7.477","0.003","18.493","0.007","89.639","0.006","85.173","0.006","83.485","0.007","793.8","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Manganese anthraquinone-2,3-dicarboxylate","","","- C16 H14 Mn O10 -","- C16 H14 Mn O10 -","- C32 H28 Mn2 O20 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.1359","0.0806","","","0.1826","0.2093","","","","","","1.041","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205924","16.308","0.003","7.4101","0.0015","16.183","0.003","90","","106.064","0.004","90","","1879.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ni(II) Anthraquinone-2,3-Dicarboxylic Acid","","","- C16 H20 Ni O13 -","- C16 H20 Ni O13 -","- C64 H80 Ni4 O52 -","4","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.1131","0.0622","","","0.1284","0.1587","","","","","","1.083","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205925","7.629","0.002","7.843","0.002","15.045","0.005","91.409","0.006","95.784","0.005","115.16","0.005","808.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Zinc(II) Anthraquinone-2,3-dicarboxylate","","","- C16 H14 O10 Zn -","- C16 H14 O10 Zn -","- C32 H28 O20 Zn2 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.1681","0.0663","","","0.1036","0.1345","","","","","","0.947","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205926","21.657","0.003","21.657","0.003","57.01","0.02","90","","90","","90","","26739","11","200","2","200","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Ti16","","","- C64 H142 Cl18 O48 Ti16 -","- C64 H142 Cl18 O48 Ti16 -","- C512 H1136 Cl144 O384 Ti128 -","8","0.25","","Périneau, Fabien; Pensec, Sandrine; Sassoye, Capucine; Ribot, François; van Lokeren, Luk; Willem, Rudolph; Bouteiller, Laurent; Sanchez, Clément; Rozes, Laurence","New hybrid core‒shell star-like architectures made of poly(n-butyl acrylate) grown from well-defined titanium oxo-clusters","Journal of Materials Chemistry","2011","21","12","4470","","10.1039/c0jm04047a","","","0.71073","MoKα","","0.1577","0.0883","","","0.2802","0.3303","","","","","","1.397","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205927","21.887","0.015","11.094","0.007","20.234","0.013","90","","105.373","0.007","90","","4737","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 F12 N4 O0.5 Os P4 -","- C46 H38 F12 N4 O0.5 Os P4 -","- C184 H152 F48 N16 O2 Os4 P16 -","4","1","","Yang, Tianshe; Xia, Ao; Liu, Qian; Shi, Mei; Wu, Huazhou; Xiong, Liqin; Huang, Chunhui; Li, Fuyou","Polymer nanoparticles with an embedded phosphorescent osmium(ii) complex for cell imaging","Journal of Materials Chemistry","2011","21","14","5360","","10.1039/c0jm04235h","","","0.71073","MoKα","","0.0524","0.0381","","","0.0941","0.1007","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205928","7.17","0.0002","7.17","0.0002","13.662","0.0002","90","","90","","90","","702.35","0.03","120","1","120","1","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- C22.08 Fe N7.04 Pt -","- C22.08 Fe N7.04 Pt -","- C22.08 Fe N7.04 Pt -","1","0.0625","","Bartual-Murgui, Carlos; Ortega-Villar, Norma A.; Shepherd, Helena J.; Muñoz, M. Carmen; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; Real, José Antonio","Enhanced porosity in a new 3D Hofmann-like network exhibiting humidity sensitive cooperative spin transitions at room temperature","Journal of Materials Chemistry","2011","21","20","7217","","10.1039/c0jm04387g","","","0.71073","MoKα","","0.0319","0.0311","","","0.0794","0.0798","","","","","","0.859","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7205929","7.231","0.0008","7.231","0.0008","13.812","0.004","90","","90","","90","","722.2","0.2","120","1","120","1","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C19 Cl1.56 Fe N6 O0.52 Pt -","- C19 Cl1.56 Fe N6 O0.52 Pt -","- C19 Cl1.56 Fe N6 O0.52 Pt -","1","0.0625","","Bartual-Murgui, Carlos; Ortega-Villar, Norma A.; Shepherd, Helena J.; Muñoz, M. Carmen; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; Real, José Antonio","Enhanced porosity in a new 3D Hofmann-like network exhibiting humidity sensitive cooperative spin transitions at room temperature","Journal of Materials Chemistry","2011","21","20","7217","","10.1039/c0jm04387g","","","0.71073","MoKα","","0.1092","0.0902","","","0.2335","0.2481","","","","","","1.049","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7205930","7.176","0.0002","7.176","0.0002","13.6663","0.0006","90","","90","","90","","703.75","0.04","100","1","100","1","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C23.08 H8 Fe N6 Pt -","- C23.08 H8 Fe N6 Pt -","- C23.08 H8 Fe N6 Pt -","1","0.0625","","Bartual-Murgui, Carlos; Ortega-Villar, Norma A.; Shepherd, Helena J.; Muñoz, M. Carmen; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; Real, José Antonio","Enhanced porosity in a new 3D Hofmann-like network exhibiting humidity sensitive cooperative spin transitions at room temperature","Journal of Materials Chemistry","2011","21","20","7217","","10.1039/c0jm04387g","","","0.71073","MoKα","","0.0549","0.049","","","0.1401","0.1685","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205931","9.5346","0.0006","9.5932","0.0006","13.9476","0.0009","96.674","0.005","105.479","0.006","94.841","0.005","1212.24","0.14","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H24 -","- C36 H24 -","- C72 H48 -","2","1","","Zhao, Zujin; Chen, Shuming; Lam, Jacky W. Y.; Wang, Zhiming; Lu, Ping; Mahtab, Faisal; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Kwok, Hoi Sing; Tang, Ben Zhong","Pyrene-substituted ethenes: aggregation-enhanced excimer emission and highly efficient electroluminescence","Journal of Materials Chemistry","2011","21","20","7210","","10.1039/c0jm04449k","","","1.54178","CuKα","","0.0476","0.0381","","","0.096","0.0994","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205932","8.7695","0.0006","13.3414","0.0011","15.9829","0.0011","77.119","0.008","89.166","0.006","71.187","0.006","1722.2","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H29 Cl3 -","- C47 H29 Cl3 -","- C94 H58 Cl6 -","2","1","","Zhao, Zujin; Chen, Shuming; Lam, Jacky W. Y.; Wang, Zhiming; Lu, Ping; Mahtab, Faisal; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Kwok, Hoi Sing; Tang, Ben Zhong","Pyrene-substituted ethenes: aggregation-enhanced excimer emission and highly efficient electroluminescence","Journal of Materials Chemistry","2011","21","20","7210","","10.1039/c0jm04449k","","","1.54178","CuKα","","0.0875","0.0747","","","0.197","0.2066","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205933","17.2111","0.00016","6.750071","0.000064","13.23655","0.00012","90","","108.518","0.00064","90","","1458.15","0.02","298","","298","","","","","","","","","5","P 1 a 1","P -2ya","7","","","","- C4 H56 B8 Li4 N12 -","- C4 H56 B8 Li4 N12 -","- C8 H112 B16 Li8 N24 -","2","1","","Guo, Yanhui; Gu, Qinfen; Guo, Zaiping; Mao, Jianfeng; Liu, Huakun; Dou, Shixue; Yu, Xuebin","A GBH/LiBH4 coordination system with favorable dehydrogenation","Journal of Materials Chemistry","2011","21","20","7138","","10.1039/c0jm04485g","powder diffraction","","1.30419","synchrotron","","0.026","","","","","","","","1.948","","","","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205934","10.311","0.0015","14.363","0.002","17.633","0.003","90","","98.889","0.015","90","","2580","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27.5 Co N5 O5.25 -","- C25 H27.5 Co N5 O5.25 -","- C100 H110 Co4 N20 O21 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.1042","0.0586","","","0.1279","0.1427","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205935","21.832","0.003","8.627","0.005","25.84","0.004","90","","100.013","0.004","90","","4793","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 N10 O9 Zn2 -","- C50 H52 N10 O9 Zn2 -","- C200 H208 N40 O36 Zn8 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","1.54184","CuKα","","0.114","0.0834","","","0.2194","0.2437","","","","","","1.139","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205936","20.8269","0.0004","8.8702","0.0002","26.6257","0.0006","90","","102.073","0.002","90","","4810","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Co2 N10 O9 -","- C50 H52 Co2 N10 O9 -","- C200 H208 Co8 N40 O36 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","1.54184","CuKα","","0.0887","0.0543","","","0.1407","0.1605","","","","","","1.036","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205937","21.332","0.001","8.884","0.003","26.584","0.006","90","","103.11","0.004","90","","4907","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Cd2 N10 O9 -","- C50 H52 Cd2 N10 O9 -","- C200 H208 Cd8 N40 O36 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.1155","0.051","","","0.1127","0.1279","","","","","","0.973","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205938","10.2094","0.0003","14.3216","0.0003","17.7147","0.0005","90","","99.17","0.003","90","","2557.05","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N5 O5 Zn -","- C25 H27 N5 O5 Zn -","- C100 H108 N20 O20 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0929","0.0414","","","0.0899","0.0979","","","","","","0.825","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205939","9.617","0.003","10.173","0.005","11.458","0.004","108.033","0.005","97.015","0.003","105.519","0.005","1001","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N3 O5 -","- C20 H18 Cd N3 O5 -","- C40 H36 Cd2 N6 O10 -","2","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.0513","0.0299","","","0.0637","0.068","","","","","","0.906","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205940","18.5487","0.0016","9.8461","0.001","13.2847","0.0011","90","","90","","90","","2426.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 N5 O5 Zn -","- C25 H27 N5 O5 Zn -","- C100 H108 N20 O20 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.1305","0.0377","","","0.0398","0.0506","","","","","","0.81","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205941","18.3946","0.0007","9.8739","0.0003","13.2948","0.0005","90","","90","","90","","2414.69","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Co N5 O5 -","- C25 H27 Co N5 O5 -","- C100 H108 Co4 N20 O20 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0876","0.0349","","","0.0436","0.0478","","","","","","0.807","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205942","12.8208","0.0012","9.8968","0.0007","17.2355","0.0015","90","","105.965","0.01","90","","2102.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cd N3 O7 -","- C20 H24 Cd N3 O7 -","- C80 H96 Cd4 N12 O28 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0424","0.0286","","","0.0659","0.0688","","","","","","0.981","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205943","13.7551","0.0007","12.4113","0.0007","16.3819","0.0008","90","","110.267","0.005","90","","2623.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N5 O6 Zn -","- C26 H25 N5 O6 Zn -","- C104 H100 N20 O24 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.146","0.0434","","","0.0563","0.0669","","","","","","0.822","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205944","14.081","0.005","14.731","0.003","22.623","0.004","90","","101.225","0.004","90","","4603","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Cd2 N6 O17 -","- C42 H42 Cd2 N6 O17 -","- C168 H168 Cd8 N24 O68 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.0695","0.0398","","","0.0876","0.0933","","","","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205945","8.7682","0.001","16.858","0.0019","13.7225","0.0015","90","","94.213","0.002","90","","2022.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu4 I5 N3 -","- C8 H16 Cu4 I5 N3 -","- C32 H64 Cu16 I20 N12 -","4","1","","Song, Jiao; Hou, Yajie; Zhang, Lifang; Fu, Yunlong","Synthesis and photoluminescent properties of two 2D and 3D iodocuprates modified by a protonated ligand","CrystEngComm","2011","13","11","3750","","10.1039/c1ce05020f","","","0.71073","MoKα","","0.0268","0.0223","","","0.0486","0.0504","","","","","","1.01","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205946","13.0234","0.0003","13.0234","0.0003","61.997","0.002","90","","90","","120","","9106.5","0.4","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H25 Cu7 I8 N4 -","- C12 H25 Cu7 I8 N4 -","- C144 H300 Cu84 I96 N48 -","12","0.333333","","Song, Jiao; Hou, Yajie; Zhang, Lifang; Fu, Yunlong","Synthesis and photoluminescent properties of two 2D and 3D iodocuprates modified by a protonated ligand","CrystEngComm","2011","13","11","3750","","10.1039/c1ce05020f","","","0.71073","MoKα","","0.0369","0.0327","","","0.103","0.1049","","","","","","1.1","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205947","9.8839","0.0004","18.237","0.0008","18.0818","0.0008","90","","90","","90","","3259.3","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cobalt(ii) formate DEF solvate","","","- C12 H12 Co6 O24 -","- C12 H12 Co6 O24 -","- C48 H48 Co24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0595","0.0405","","","0.0901","0.0956","","","","","","0.968","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205948","9.8715","0.0009","18.2678","0.0015","18.1613","0.0016","90","","90","","90","","3275","0.5","213","2","213","2","","","","","","","","4","P b c n","-P 2n 2ab","60","magnesium(ii) formate DEF solvate","","","- C12 H12 Mg6 O24 -","- C12 H12 Mg6 O24 -","- C48 H48 Mg24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0708","0.0471","","","0.1081","0.116","","","","","","0.966","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205949","9.868","0.0004","18.2476","0.0008","18.14","0.0008","90","","90","","90","","3266.4","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Zinc(ii) formate DEF solvate","","","- C12 H12 O24 Zn6 -","- C12 H12 O24 Zn6 -","- C48 H48 O96 Zn24 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0336","0.0298","","","0.0832","0.0849","","","","","","1.041","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205950","27.198","0.005","13.261","0.003","13.222","0.003","90","","90","","90","","4768.8","1.8","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H58 Br8 Cd3 N10 O13 S4 -","- C18 H48 Br8 Cd3 N10 O13 S4 -","- C72 H192 Br32 Cd12 N40 O52 S16 -","4","0.5","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups","CrystEngComm","2011","13","8","2942","","10.1039/c1ce05038a","","","0.71073","MoKα","","0.0558","0.0435","","","0.1119","0.1167","","","","","","1.035","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205951","4.2002","0.0008","20.158","0.004","12.441","0.003","90","","96.58","0.03","90","","1046.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 Cd I N2 O S2 -","- C4 H7 Cd I N2 O S2 -","- C16 H28 Cd4 I4 N8 O4 S8 -","4","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups","CrystEngComm","2011","13","8","2942","","10.1039/c1ce05038a","","","0.71073","MoKα","","0.0254","0.0211","","","0.0412","0.0423","","","","","","1.038","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205952","14.791","0.004","14.791","0.004","5.696","0.003","90","","90","","90","","1246.1","0.8","295","2","295","2","","","","","","","","6","P 42","P 4c","77","","","","- C5 H10 Mn2 N O12 P2 -","- C5 H10 Mn2 N O12 P2 -","- C20 H40 Mn8 N4 O48 P8 -","4","1","","Dong, Da-Peng; Sun, Zhen-Gang; Tong, Fei; Zhu, Yan-Yu; Chen, Kai; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Wang, Wei-Nan","Synthesis, structure, surface photovoltage and magnetic properties of a novel 3D homochiral manganese phosphonate with right-handed helical chains","CrystEngComm","2011","13","10","3317","","10.1039/c1ce05053b","","","0.71073","MoKα","","0.048","0.0356","","","0.0738","0.0787","","","","","","1.05","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205953","10.628","0.002","35.255","0.007","15.059","0.003","90","","110.5","0.03","90","","5285","2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Cu4 N8 O12 S3 -","- C52 H40 Cu4 N8 O12 S3 -","- C208 H160 Cu16 N32 O48 S12 -","4","0.5","","Deng, Zhao-Peng; Zhu, Zhi-Biao; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","The first in situ organosulfonate-templated 3-fold interpenetrating framework built from rare tetrahedral [Cu4(μ4-SO4)] SBUs","CrystEngComm","2011","13","11","3895","","10.1039/c1ce05059a","","","0.71073","MoKα","","0.0854","0.0698","","","0.1832","0.1977","","","","","","1.043","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205954","11.536","0.0004","12.945","0.0006","14.784","0.0006","75.239","0.004","71.308","0.003","67.165","0.004","1905.77","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Ag6 N24 O44 Si W12 -","- C36 H36 Ag6 N24 O44 Si W12 -","- C36 H36 Ag6 N24 O44 Si W12 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0924","0.0705","","","0.1958","0.2063","","","","","","1.029","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205955","11.5322","0.0003","12.9295","0.0006","14.7825","0.0006","75.286","0.004","71.406","0.003","67.39","0.003","1906.66","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Ag6 N24 O44 P W12 -","- C36 H36 Ag6 N24 O44 P W12 -","- C36 H36 Ag6 N24 O44 P W12 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0895","0.0699","","","0.1852","0.194","","","","","","1.026","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205956","11.684","0.001","17.636","0.0014","25.363","0.002","96.332","0.001","98.081","0.0011","101.984","0.0011","5008.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Ag6 N24 O74 P2 W18 -","- C36 H36 Ag6 N24 O74 P2 W18 -","- C72 H72 Ag12 N48 O148 P4 W36 -","2","1","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0959","0.0574","","","0.1397","0.1787","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205957","10.414","0.003","10.461","0.003","10.556","0.003","72.438","0.004","74.048","0.004","78.329","0.003","1045.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Ag2 N16 O21 W6 -","- C24 H24 Ag2 N16 O21 W6 -","- C24 H24 Ag2 N16 O21 W6 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0754","0.0623","","","0.1838","0.2004","","","","","","1.073","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205958","17.322","0.002","17.322","0.002","27.263","0.006","90","","90","","90","","8180","2","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C95 H105 Cd4 N22 O46 -","- C77 H52 Cd4 N16 O20 -","- C154 H104 Cd8 N32 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0598","0.0571","","","0.1646","0.1669","","","","","","1.107","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205959","17.322","0.002","17.322","0.002","23.419","0.005","90","","90","","90","","7026.9","1.9","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C99.5 H120.5 Cd4 N15.5 O35.5 -","- C77 H52 Cd4 N8 O20 -","- C154 H104 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0616","0.0601","","","0.1674","0.1687","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205960","17.433","0.005","17.433","0.005","16.137","0.007","90","","90","","90","","4904","3","293","2","293","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C134 H185 Cd4 N19 O51 -","- C101 H68 Cd4 N8 O20 -","- C101 H68 Cd4 N8 O20 -","1","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0636","0.0606","","","0.168","0.171","","","","","","1.071","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205961","17.3376","0.0008","17.3376","0.0008","27.957","0.002","90","","90","","90","","8403.7","0.8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C109 H134 Cd4 N16 O33 -","- C85 H68 Cd4 N8 O20 -","- C170 H136 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.1002","0.0978","","","0.2602","0.2617","","","","","","1.056","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205962","6.3854","0.0009","8.8391","0.0012","26.129","0.005","90","","90","","90","","1474.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Ag N4 O6 -","- C13 H11 Ag N4 O6 -","- C52 H44 Ag4 N16 O24 -","4","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0961","0.0484","","","0.0769","0.0921","","","","","","1.019","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205963","7.55","0.001","10.075","0.0011","12.7547","0.0017","89.399","0.01","80.098","0.011","71.088","0.01","903.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag2 Cl N5 O9 -","- C13 H10 Ag2 Cl N5 O9 -","- C26 H20 Ag4 Cl2 N10 O18 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0433","0.0313","","","0.0706","0.0767","","","","","","1.042","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205964","7.5949","0.0009","10.1026","0.0014","12.8377","0.0016","89.295","0.01","79.941","0.011","70.855","0.01","915.2","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag2 Br N5 O9 -","- C13 H10 Ag2 Br N5 O9 -","- C26 H20 Ag4 Br2 N10 O18 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0802","0.0407","","","0.0692","0.0806","","","","","","1.006","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205965","7.4597","0.0007","8.0105","0.0006","13.5106","0.001","88.204","0.007","86.411","0.008","80.948","0.008","795.53","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag I N4 O6 -","- C13 H10 Ag I N4 O6 -","- C26 H20 Ag2 I2 N8 O12 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0293","0.0271","","","0.0679","0.0695","","","","","","1.052","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205966","13.106","0.003","10.729","0.0018","13.434","0.002","90","","106.41","0.02","90","","1812.1","0.6","295","2","295","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C15 H14 Ag B Br F4 N3 O3.5 -","- C15 H14 Ag B Br F4 N3 O3.5 -","- C60 H56 Ag4 B4 Br4 F16 N12 O14 -","4","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.1247","0.0549","","","0.0876","0.1082","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205967","9.8556","0.0012","10.8736","0.0014","15.375","0.002","92.219","0.009","95.523","0.009","94.117","0.01","1634.1","0.4","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0853","0.0459","","","0.09","0.1044","","","","","","1.013","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205968","11.6037","0.0019","11.6541","0.0016","13.053","0.003","73.417","0.013","77.433","0.014","72.924","0.013","1599.8","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0542","0.0507","","","0.1381","0.1425","","","","","","1.035","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205969","11.6733","0.001","12.0649","0.0008","12.8161","0.0019","77.832","0.011","74.406","0.01","74.254","0.008","1654.7","0.3","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0519","0.0429","","","0.0999","0.1059","","","","","","1.068","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205970","13.8954","0.0015","13.8954","0.0015","17.787","0.002","90","","90","","90","","3434.4","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H28 In N0 O8 -","- C20 H28 In O8 -","- C80 H112 In4 O32 -","4","0.5","","Wang, Liping; Song, Tianyou; Huang, Liangliang; Xu, Jianing; Li, Chao; Ji, Caixia; Shan, Liang; Wang, Li","A porous chiral In-MOF with anionic-type diamond network: synthesis, structure and nitrogen gas adsorption","CrystEngComm","2011","13","12","4005","","10.1039/c1ce05110e","","","0.71073","MoKα","","0.1052","0.0658","","","0.176","0.1867","","","","","","0.932","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205971","11.5278","0.0015","12.7865","0.0015","15.6274","0.0017","65.755","0.009","74.11","0.009","65.063","0.009","1890.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl N5 Ni2 O12 -","- C36 H40 Cl N5 Ni2 O12 -","- C72 H80 Cl2 N10 Ni4 O24 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1276","0.0585","","","0.0768","0.0894","","","","","","0.93","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205972","11.6795","0.0012","12.8729","0.0014","15.7482","0.0019","66.151","0.009","73.257","0.009","64.351","0.008","1933.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 F6 N5 Ni2 O8 P -","- C36 H40 F6 N5 Ni2 O8 P -","- C72 H80 F12 N10 Ni4 O16 P2 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1366","0.0603","","","0.0821","0.0964","","","","","","0.892","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205973","13.7451","0.0005","14.0632","0.0005","22.8343","0.0009","90","","95.607","0.003","90","","4392.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Cl N5 Ni2 O13 -","- C45 H44 Cl N5 Ni2 O13 -","- C180 H176 Cl4 N20 Ni8 O52 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0755","0.0476","","","0.0971","0.106","","","","","","1.016","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205974","14.8436","0.0013","15.6993","0.0012","17.3575","0.0013","97.492","0.006","97.828","0.007","91.792","0.007","3968","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cl3 N11 Ni4 O28 -","- C72 H84 Cl3 N11 Ni4 O28 -","- C144 H168 Cl6 N22 Ni8 O56 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1251","0.0563","","","0.0828","0.0961","","","","","","0.899","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205975","13.8843","0.0008","23.6202","0.001","14.7348","0.0008","90","","114.441","0.004","90","","4399.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Cl N5 Ni2 O12 -","- C44 H48 Cl N5 Ni2 O12 -","- C176 H192 Cl4 N20 Ni8 O48 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0984","0.0662","","","0.1716","0.1897","","","","","","1.035","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205976","10.9775","0.0009","12.3684","0.0009","12.8226","0.001","63.924","0.005","69.868","0.006","79.319","0.006","1467","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H62 Cr N11 Ni2 O10 S4 -","- C46 H54 Cr N11 Ni2 O10 S4 -","- C46 H54 Cr N11 Ni2 O10 S4 -","1","0.5","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0813","0.0484","","","0.1062","0.1153","","","","","","0.924","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205977","7.4463","0.0005","16.4541","0.0016","25.4253","0.0016","90","","90","","90","","3115.2","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Au Cr N8 O4 S4 -","- C23 H26 Au Cr N8 O4 S4 -","- C92 H104 Au4 Cr4 N32 O16 S16 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1246","0.0552","","","0.0623","0.0786","","","","","","0.701","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205978","14.6905","0.0008","8.0472","0.0004","15.8688","0.0002","90","","112.929","0.007","90","","1727.74","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 Be3 N2 O12 P4 -","- C4 H20 Be3 N2 O12 P4 -","- C16 H80 Be12 N8 O48 P16 -","4","0.5","","Luo, Xiuchao; Luo, Daibing; Gong, Maochu; Chen, Yaoqiang; Lin, Zhien","(C2H8N)2[Be3(HPO3)4]: a low-density beryllium phosphite with large 16-membered rings and helical channels","CrystEngComm","2011","13","11","3646","","10.1039/c1ce05117b","","","0.71073","MoKα","","0.0486","0.0398","","","0.0896","0.0939","","","","","","1.107","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205979","8.0951","0.0012","12.3444","0.0018","15.87","0.002","108.903","0.003","94.498","0.003","102.542","0.002","1445.4","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Ag F6 N4 O2 P -","- C27 H36 Ag F6 N4 O2 P -","- C54 H72 Ag2 F12 N8 O4 P2 -","2","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0983","0.056","","","0.1384","0.1667","","","","","","1.045","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205980","11.475","0.003","17.199","0.005","19.604","0.004","90","","117.849","0.012","90","","3420.9","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Hg2 I4 N4 O2 S -","- C24 H32 Hg2 I4 N4 O2 S -","- C96 H128 Hg8 I16 N16 O8 S4 -","4","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.1002","0.0807","","","0.192","0.2077","","","","","","1.002","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205981","20.465","0.006","11.488","0.004","19.833","0.009","90","","115.192","0.004","90","","4219","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Cu Hg I4 N4 O3 S2 -","- C30 H46 Cu Hg I4 N4 O3 S2 -","- C120 H184 Cu4 Hg4 I16 N16 O12 S8 -","4","0.5","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.1232","0.0753","","","0.1843","0.2161","","","","","","1.059","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205982","13.4814","0.0009","15.3581","0.0011","19.0334","0.0013","90","","90","","90","","3940.8","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H36 Hg2 I6 N4 O -","- C26 H36 Hg2 I6 N4 O -","- C104 H144 Hg8 I24 N16 O4 -","4","0.5","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0382","0.0283","","","0.0627","0.0679","","","","","","0.981","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205983","11.51","0.002","11.811","0.002","15.423","0.003","84.823","0.003","87.271","0.003","81.578","0.003","2064.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Hg2 I3 N4 O4.5 -","- C36 H37 Hg2 I3 N4 O4.5 -","- C72 H74 Hg4 I6 N8 O9 -","2","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0801","0.0618","","","0.1653","0.1789","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205984","13.5458","0.0008","18.2469","0.0011","16.9521","0.001","90","","111.154","0.001","90","","3907.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Hg2 I4 N4 O2.5 S0.5 -","- C27 H33 Hg2 I4 N4 O2.5 S0.5 -","- C108 H132 Hg8 I16 N16 O10 S2 -","4","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0497","0.0331","","","0.0859","0.0931","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205985","10.0498","0.0011","10.5779","0.0008","11.5045","0.0008","90","","92.026","0.004","90","","1222.23","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Fluorobenzoic acid‒4-acetylpyridine (1/1)","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","","0.035","","","","0.0986","","","","","","1.046","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205986","10.0714","0.0015","10.6513","0.0012","11.632","0.0013","90","","91.677","0.005","90","","1247.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.0863","0.0399","","","","0.117","","","","","","1.029","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205987","7.92","0.0011","6.9633","0.0009","21.918","0.004","90","","95.337","0.005","90","","1203.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.0622","0.0405","","","","0.1084","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205988","8.0544","0.0012","6.942","0.001","22.058","0.004","90","","95.99","0.007","90","","1226.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.087","0.0459","","","","0.1314","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205989","10.046","0.002","10.573","0.002","11.461","0.002","90","","91.16","0.02","90","","1217.1","0.4","30","2","30","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0743","0.0743","","","","0.1865","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205990","10.105","0.004","10.734","0.004","11.806","0.004","90","","91.08","0.03","90","","1280.3","0.8","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0952","0.0952","","","","0.2415","","","","","","1.141","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205991","7.9892","0.0015","6.9703","0.0014","21.947","0.004","90","","95.67","0.012","90","","1216.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0962","0.0962","","","","0.2423","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205992","8.2118","0.0011","5.068","0.0007","38.683","0.005","90","","93.264","0.006","90","","1607.3","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Isonicotinamide:azelaic acid","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.1217","0.088","","","0.1995","0.225","","","","","","1.185","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205993","8.2223","0.0005","5.1437","0.0003","33.389","0.002","90","","93.873","0.003","90","","1408.9","0.15","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Isonicotinamide:pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.0901","0.0557","","","0.1184","0.1337","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205994","8.9413","0.0015","9.5366","0.0013","10.1347","0.0017","86.653","0.011","66.031","0.007","66.571","0.01","719.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Isonicotinamide:suberic acid","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C28 H40 N4 O10 -","2","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.1055","0.0724","","","0.1604","0.1837","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205995","11.8722","0.0004","12.9955","0.0004","8.1575","0.0002","90","","90","","90","","1258.58","0.07","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H4 Cl2 Cs2 N2 O5 -","- C7 H4 Cl2 Cs2 N2 O5 -","- C28 H16 Cl8 Cs8 N8 O20 -","4","0.5","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","x-ray","0.71073","MoKα","","","0.0579","","","","0.1652","","","","","","0.879","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205996","9.3773","0.0004","9.3823","0.0004","9.9299","0.0004","93.075","0.003","97.838","0.003","118.98","0.004","749.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl3 Cs O9 -","- C9 H8 Cl3 Cs O9 -","- C18 H16 Cl6 Cs2 O18 -","2","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","","1.54179","CuKα","","","0.024","","","","0.0637","","","","","","1.033","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205997","9.8219","0.0002","7.0831","0.0002","19.955","0.0004","90","","90.85","0.002","90","","1388.11","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Cl2 N4 Na O6 -","- C8 H9 Cl2 N4 Na O6 -","- C32 H36 Cl8 N16 Na4 O24 -","4","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","x-ray","1.54184","CuKα","","","0.046","","","","0.1223","","","","","","1.045","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205998","9.2357","0.0004","9.2416","0.0004","9.8443","0.0004","92.646","0.003","98.035","0.003","118.378","0.004","725.87","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl3 O9 Rb -","- C9 H8 Cl3 O9 Rb -","- C18 H16 Cl6 O18 Rb2 -","2","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","","1.54179","CuKα","","","0.0547","","","","0.1583","","","","","","1.067","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205999","29.2672","0.0013","6.2707","0.0002","7.4449","0.0002","90","","95.612","0.004","90","","1359.78","0.08","290","","290","","","","","","","","","5","C 1 2 1","C 2y","5","anilinium sulphate","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.0515","0.0476","","","0.1187","0.1223","","","","1.72","1.72","1.68","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206000","9.412","0.0009","9.0979","0.0007","17.819","0.002","90","","98.053","0.01","90","","1510.8","0.3","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Anilinium(1+) selenate dihydrate","","","- C12 H20 N2 O6 Se -","- C12 H20 N2 O6 Se -","- C48 H80 N8 O24 Se4 -","4","0.5","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","0.71073","MoKα","","0.1328","0.0473","","","0.097","0.1133","","","","1.27","1.27","0.92","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206001","29.1811","0.0006","6.3632","0.0001","7.5091","0.0002","90","","94.993","0.002","90","","1389.04","0.05","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","Anilinium(1+) selenate","","","- C12 H16 N2 O4 Se -","- C12 H16 N2 O4 Se -","- C48 H64 N8 O16 Se4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.019","0.0188","","","0.063","0.0631","","","","1.54","1.54","1.54","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206002","13.3163","0.0017","18.059","0.002","21.255","0.003","90","","99.7","0.002","90","","5038.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Fe3 N4 O16 -","- C48 H46 Fe3 N4 O16 -","- C192 H184 Fe12 N16 O64 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Zhang, Wei-Xiong; Xue, Wei; Zhou, Hao-Long; Chen, Xiao-Ming","Buffering additive effect in the formation of metal‒carboxylate frameworks with slightly different linear M3(RCOO)6 clusters","CrystEngComm","2011","13","12","4196","","10.1039/c1ce05190c","","","0.71073","MoKα","","0.1077","0.0673","","","0.171","0.1974","","","","","","1.017","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206003","11.378","0.005","19.106","0.009","12.234","0.004","90","","121.14","0.03","90","","2276.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N4 Ni3 O14 -","- C46 H46 N4 Ni3 O14 -","- C92 H92 N8 Ni6 O28 -","2","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Zhang, Wei-Xiong; Xue, Wei; Zhou, Hao-Long; Chen, Xiao-Ming","Buffering additive effect in the formation of metal‒carboxylate frameworks with slightly different linear M3(RCOO)6 clusters","CrystEngComm","2011","13","12","4196","","10.1039/c1ce05190c","","","0.71073","MoKα","","0.0957","0.0757","","","0.19","0.2063","","","","","","1.063","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206004","14.6443","0.0014","21.746","0.002","27.654","0.003","90","","95.693","0.005","90","","8763.1","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H50.5 Ag3 N15.5 O42.5 P W12 -","- C45.5 H50.5 Ag3 N15.5 O42.5 P W12 -","- C182 H202 Ag12 N62 O170 P4 W48 -","4","1","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.1031","0.0492","","","0.1046","0.1187","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206005","12.0111","0.0006","13.577","0.0007","22.5735","0.0012","81.18","0.004","78.714","0.004","73.423","0.004","3441.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H64 Ag6 Mo24 N24 O80 P2 -","- C64 H61 Ag6 Mo24 N24 O80 P2 -","- C64 H61 Ag6 Mo24 N24 O80 P2 -","1","0.5","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.1287","0.0579","","","0.083","0.0983","","","","","","1.008","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206006","12.3099","0.0014","13.3727","0.0008","13.3738","0.0008","112.618","0.001","97.849","0.001","106.18","0.001","1876.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Ag4 Mo12 N16 O40 Si -","- C40 H44 Ag4 Mo12 N16 O40 Si -","- C40 H44 Ag4 Mo12 N16 O40 Si -","1","0.5","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.074","0.0727","","","0.1919","0.1924","","","","","","1.088","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206007","26.82","0.001","26.82","0.001","15.528","0.001","90","","90","","120","","9673.1","0.8","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]","","- C22 H28 Cl4 Cu2 N20 O2 -","- C20 H20 Cl4 Cu2 N20 -","- C180 H180 Cl36 Cu18 N180 -","9","0.25","","Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.","Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities","CrystEngComm","2011","13","10","3301","","10.1039/c1ce05195d","","","0.71073","MoKα","","0.1002","0.0793","","","0.2501","0.2601","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206008","26.903","0.002","26.903","0.002","15.43","0.001","90","","90","","120","","9671.6","1.2","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]","","- C22 H28 Cl4 Cu2 N20 O2 -","- C20 H20 Cl4 Cu2 N20 -","- C180 H180 Cl36 Cu18 N180 -","9","0.25","","Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.","Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities","CrystEngComm","2011","13","10","3301","","10.1039/c1ce05195d","","","0.71073","MoKα","","0.05","0.0337","","","0.0822","0.0872","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206009","8.8432","0.0011","18.133","0.002","10.7628","0.0013","90","","111.47","0.003","90","","1606.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 N6 O2 -","- C38 H46 N6 O2 -","- C76 H92 N12 O4 -","2","0.5","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0867","0.0413","","","0.0588","0.0696","","","","","","0.806","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206010","7.1366","0.0004","10.9517","0.0006","33.5506","0.0018","90","","94.278","0.001","90","","2614.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 O5 S -","- C28 H34 N4 O5 S -","- C112 H136 N16 O20 S4 -","4","1","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0823","0.0418","","","0.0655","0.0748","","","","","","0.826","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206011","6.9772","0.0004","10.5977","0.0006","17.178","0.0009","93.904","0.001","90.393","0.001","104.403","0.001","1227.03","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C56 H64 N8 O8 -","2","1","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0626","0.0397","","","0.0926","0.1005","","","","","","0.911","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206012","19.666","0.003","10.4447","0.0015","13.887","0.007","90","","122.89","0.02","90","","2395.3","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(C10H9.50N3O6.25)","Mn(C10H9.50N3O6.25)","","- C10 H9.5 Mn N3 O6.25 -","- C10 H9 Mn N3 O6.25 -","- C80 H72 Mn8 N24 O50 -","8","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0267","0.0246","","","0.0612","0.0627","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206013","18.895","0.004","8.0248","0.0016","17.604","0.004","90","","120.8","0.03","90","","2292.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(H2O)(C10H5N3O4)","Mn(H2O)(C10H5N3O4)","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C80 H56 Mn8 N24 O40 -","8","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0702","0.0634","","","0.1697","0.1735","","","","","","0.991","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206014","10.446","0.003","16.862","0.002","7.3912","0.0015","90","","96.063","0.019","90","","1294.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(C10H11N3O7)","Co(C10H11N3O7)","","- C10 H11 Co N3 O7 -","- C10 H9 Co N3 O7 -","- C40 H36 Co4 N12 O28 -","4","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.1204","0.0736","","","0.1881","0.2214","","","","","","1.029","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206015","6.994","0.003","10.99","0.004","12.008","0.005","82.639","0.01","82.527","0.01","71.827","0.009","865.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Co3(C22H36N6O26)","Co3(C22H36N6O26)","","- C22 H36 Co3 N6 O26 -","- C22 H36 Co3 N6 O26 -","- C22 H36 Co3 N6 O26 -","1","0.5","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0561","0.0398","","","0.0879","0.0971","","","","","","1.031","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206016","20.0609","0.0003","20.0609","0.0003","37.6855","0.0012","90","","90","","90","","15166.1","0.6","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C210 H330 Cl2 Dy14 N24 O143 S16 -","- C210 H200 Cl2 Dy14 N24 O122 S16 -","- C420 H400 Cl4 Dy28 N48 O244 S32 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.0669","0.0453","","","0.1317","0.1456","","","","","","1.085","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206017","21.7073","0.0005","21.7073","0.0005","22.5476","0.0007","90","","90","","90","","10624.6","0.5","150","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C127 H222 Cl2 Dy12 N16 O113 -","- C112 H80 Cl2 Dy12 N16 O56 -","- C224 H160 Cl4 Dy24 N32 O112 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.1036","0.0745","","","0.2502","0.2876","","","","","","1.13","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206018","3.6325","0.0006","10.2841","0.0017","10.4812","0.0017","90","","97.379","0.003","90","","388.3","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C8 H12 Cu4 N16 -","4","1","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0798","0.0628","","","0.1324","0.1412","","","","","","1.004","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206019","10.3115","0.0009","10.4977","0.001","14.7439","0.0014","90","","90","","90","","1596","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C32 H48 Cu16 N64 -","16","2","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0545","0.0462","","","0.1102","0.1155","","","","","","1.029","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206020","8.4608","0.0007","10.3198","0.0009","10.5728","0.0009","90","","118.944","0.008","90","","807.84","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C16 H24 Cu8 N32 -","8","2","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0407","0.0335","","","0.0863","0.0903","","","","","","1.042","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206021","33.6784","0.0009","25.4699","0.0007","19.5175","0.0005","90","","90","","90","","16741.8","0.8","100","2","100","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C60 H72 O8 -","- C60 H68 O8 -","- C720 H816 O96 -","12","1.5","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54178","CuKα","","0.0817","0.065","","","0.1726","0.1841","","","","","","1.042","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206022","17.4504","0.0006","17.4504","0.0006","27.9996","0.0014","90","","90","","120","","7384","0.5","120","2","120","2","","","","","","","","3","P 61","P 61","169","","","","- C56 H66 O9 -","- C56 H66 O9 -","- C336 H396 O54 -","6","1","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54184","CuKα","","0.0294","0.0279","","","0.0764","0.077","","","","","","1.061","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206023","20.481","0.012","10.09","0.005","13.992","0.008","90","","125.41","0.008","90","","2357","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 N2 O4.5 Zn0.5 -","- C13 H8 N2 O4.5 Zn0.5 -","- C104 H64 N16 O36 Zn4 -","8","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0635","0.0508","","","0.098","0.103","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206024","8.233","0.0016","9.1285","0.0016","10.792","0.0016","97.51","0.003","103.711","0.005","112.582","0.006","705","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N2 O6.5 Zn -","- C13 H9 N2 O6.5 Zn -","- C26 H18 N4 O13 Zn2 -","2","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0607","0.0503","","","0.1412","0.1492","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206025","10.07","0.008","11.383","0.008","13.936","0.01","90","","101.955","0.015","90","","1563","2","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C9 H5.5 N1.5 O2 Zn0.5 -","- C9 H5.5 N1.5 O2 Zn0.5 -","- C36 H22 N6 O8 Zn2 -","4","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0909","0.0735","","","0.2487","0.2717","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206026","15.285","0.003","6.467","0.001","16.654","0.002","90","","110.64","0.03","90","","1540.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrabenzylcyclen","1,4,7,10-tetrabenzyl-1,4,7,10-tetraazacyclododecane","","- C36 H44 N4 -","- C36 H44 N4 -","- C72 H88 N8 -","2","0.5","","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S.","Tetrabenzylcyclen as a receptor for fluoride","CrystEngComm","2011","13","11","3682","","10.1039/c1ce05279a","","","0.71073","MoKα","","0.0726","0.0488","","","0.121","0.1363","","","","","","1.025","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206027","37.0414","0.0014","11.1521","0.0004","19.2636","0.0007","90","","100.044","0.004","90","","7835.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate","1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate","","- C36 H55 F7 N4 O4 Si -","- C36 H52.276 F7 N4 O4 Si -","- C288 H418.208 F56 N32 O32 Si8 -","8","1","","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S.","Tetrabenzylcyclen as a receptor for fluoride","CrystEngComm","2011","13","11","3682","","10.1039/c1ce05279a","","","0.71073","MoKα","","0.095","0.0399","","","0.0809","0.0896","","","","","","0.841","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206028","16.382","0.0014","10.512","0.0004","21.654","0.002","90","","108.56","0.004","90","","3535","0.5","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","(EDTTTFImH)2(CLA)","(EDTTTFImH)2(CLA)","","- C28 H18 Cl2 N4 O4 S12 -","- C28 H18 Cl2 N4 O4 S12 -","- C112 H72 Cl8 N16 O16 S48 -","4","0.5","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid‒base hydrogen-bonds, π-stacks and chalcogen atom interactions","CrystEngComm","2011","13","11","3689","","10.1039/c1ce05326d","","x-ray","0.71073","MoKα","","0.0479","0.0362","","","0.0865","0.0922","","","","","","1.042","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206029","9.762","0.005","10.467","0.008","10.572","0.007","92.16","0.03","114.66","0.02","112.01","0.02","885.7","1","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(EDTTTFImH)2(CNA)","(EDTTTFImH)2(CNA)","","- C15 H9 N3 O2 S6 -","- C15 H9 N3 O2 S6 -","- C30 H18 N6 O4 S12 -","2","1","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid‒base hydrogen-bonds, π-stacks and chalcogen atom interactions","CrystEngComm","2011","13","11","3689","","10.1039/c1ce05326d","","x-ray","0.71073","MoKα","","0.0451","0.0333","","","0.0892","0.1043","","","","","","1.093","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206030","22.2013","0.0004","30.4426","0.0005","24.1244","0.0005","90","","91.274","0.002","90","","16300.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H216 Mo24 N6 O79 S2 -","- C96 H216 Mo24 N6 O79 S2 -","- C384 H864 Mo96 N24 O316 S8 -","4","1","","Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy","Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.","Physical chemistry chemical physics : PCCP","2011","13","16","7295","7297","10.1039/c1cp20074g","","","0.71073","MoKα","","0.0828","0.0479","","","0.1135","0.1253","","","","","","0.897","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206031","22.0259","0.0002","29.9732","0.0002","23.9492","0.0002","90","","90.628","0.001","90","","15810","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H216 Mo24 N6 O79 S2 -","- C96 H216 Mo24 N6 O79 S2 -","- C384 H864 Mo96 N24 O316 S8 -","4","1","","Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy","Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.","Physical chemistry chemical physics : PCCP","2011","13","16","7295","7297","10.1039/c1cp20074g","","","0.71073","MoKα","","0.0296","0.0206","","","0.0475","0.0487","","","","","","1.038","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206032","12.469","0.003","11.529","0.002","14.906","0.003","90","","91.38","0.03","90","","2142.2","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cu I3 N2 -","- C16 H22 Cu I3 N2 -","- C64 H88 Cu4 I12 N8 -","4","1","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Dielectric anisotropy of the single crystal of isopropylviologen copper(i) triiodide.","Physical chemistry chemical physics : PCCP","2011","13","22","10781","10786","10.1039/c1cp20422j","","","0.71073","MoKα","","0.0844","0.0596","","","0.137","0.1539","","","","","","1.096","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206033","7.7534","0.0016","8.0651","0.0016","18.818","0.004","90","","90","","90","","1176.7","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C40 H72 N8 O24 -","4","1","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0557","0.0429","","","0.0841","0.0881","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206034","10.5612","0.0014","8.4166","0.0005","15.8706","0.0019","90","","107.86","0.004","90","","1342.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.1714","0.0734","","","0.1142","0.1447","","","","","","1.031","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206035","5.8353","0.0003","9.651","0.0006","12.8178","0.001","90","","90","","90","","721.85","0.08","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0637","0.0476","","","0.0991","0.1065","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206036","6.0475","0.0007","7.8473","0.001","11.2904","0.0012","90","","97.541","0.007","90","","531.17","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C24 H36 N4 O4 -","2","0.5","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0985","0.0637","","","0.1325","0.1458","","","","","","1.056","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206037","3.9045","0.0004","11.5645","0.0017","5.1679","0.0007","90","","96.461","0.008","90","","231.87","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C8 H12 N4 O4 -","2","0.5","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0417","0.0367","","","0.0852","0.0875","","","","","","1.083","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206038","4.6835","0.0004","9.2616","0.0008","23.4038","0.0016","90","","90","","90","","1015.18","0.14","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","syn-(3S,4R)-3,4-dihydroxy-4-(4-nitrophenyl)butan-2-one","<i>syn</i>-(3<i>S</i>,4<i>R</i>)-3,4-dihydroxy- 4-(4-nitrophenyl)butan-2-one","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","Czarnecki, Paweł; Plutecka, Agnieszka; Gawroński, Jacek; Kacprzak, Karol","Simple and practical direct asymmetric aldol reaction of hydroxyacetone catalyzed by 9-amino Cinchona alkaloid tartrates","Green Chemistry","2011","13","5","1280","","10.1039/c1gc15064b","","","1.54184","CuKα","","0.0257","0.0256","","","0.0687","0.0688","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206039","9.396","0.0007","9.7337","0.0007","22.0591","0.0015","78.68","0.002","78.5522","0.0018","75.835","0.002","1893.9","0.2","93.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 B2 N4 -","- C24 H20 B2 N4 -","- C96 H80 B8 N16 -","4","2","","Kojima, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro","Organic field-effect transistors based on novel organic semiconductors containing diazaboroles","Journal of Materials Chemistry","2011","21","18","6607","","10.1039/c1jm00002k","","","0.71075","MoKα","","","0.0685","","","","0.208","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206040","8.6051","0.0004","5.5304","0.0002","27.6946","0.0011","90","","97.8185","0.0016","90","","1305.72","0.09","93.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 B2 N4 -","- C36 H28 B2 N4 -","- C72 H56 B4 N8 -","2","0.5","","Kojima, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro","Organic field-effect transistors based on novel organic semiconductors containing diazaboroles","Journal of Materials Chemistry","2011","21","18","6607","","10.1039/c1jm00002k","","","0.71075","MoKα","","","0.0427","","","","0.1227","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206041","9.1177","0.0015","17.457","0.003","9.9165","0.0016","90","","100.715","0.002","90","","1550.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0964","0.0563","","","0.1515","0.192","","","","","","1.024","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206042","9.1419","0.0007","17.5398","0.0014","9.7526","0.0008","90","","99.8192","0.0013","90","","1540.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0644","0.0391","","","0.1062","0.1254","","","","","","1.021","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206043","10.0442","0.0004","13.8741","0.0005","30.5325","0.0012","90","","94.1613","0.0007","90","","4243.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 O2 -","- C25 H30 O2 -","- C200 H240 O16 -","8","2","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0624","0.0464","","","0.1125","0.1214","","","","","","1.044","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206044","7.6558","0.0004","17.7701","0.0009","12.6438","0.0006","90","","97.1985","0.0007","90","","1706.56","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0412","0.0376","","","0.1058","0.1093","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206045","8.1422","0.0007","9.8073","0.0008","10.319","0.0009","80.8542","0.0013","87.0945","0.0013","86.9151","0.0013","811.61","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C44 H44 O4 -","2","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0529","0.0425","","","0.1135","0.1244","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206046","6.9024","0.0004","9.0519","0.0006","20.6141","0.0013","87.7209","0.001","82.2444","0.001","82.4091","0.001","1264.68","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H42 O2 -","- C31 H42 O2 -","- C62 H84 O4 -","2","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0565","0.042","","","0.1182","0.1286","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206047","17.3689","0.0007","6.3517","0.0002","17.6297","0.0007","90","","113.119","0.0005","90","","1788.74","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.043","0.0394","","","0.1072","0.1109","","","","","","1.046","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206048","11.2996","0.0005","12.3091","0.0006","12.3511","0.0006","88.7806","0.0007","74.3156","0.0007","75.1626","0.0007","1596.65","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","2","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0576","0.0442","","","0.109","0.1169","","","","","","1.036","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206049","11.2274","0.0004","7.6159","0.0003","14.2498","0.0005","90","","104.981","0.0005","90","","1177.04","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0438","0.0405","","","0.1173","0.1207","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206050","8.5056","0.0007","10.1688","0.0008","14.4684","0.0012","90","","90","","90","","1251.4","0.18","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.036","0.0335","","","0.0872","0.0895","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206051","16.5454","0.0012","7.5826","0.0005","22.0553","0.0015","90","","95.2065","0.0011","90","","2755.6","0.3","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0765","0.0496","","","0.1117","0.1286","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206052","9.783","0.003","8.098","0.003","19.488","0.006","90","","97.331","0.005","90","","1531.3","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0588","0.0401","","","0.1095","0.1279","","","","","","1.016","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206053","7.8529","0.0004","8.5743","0.0004","11.4604","0.0006","87.9208","0.0008","80.4985","0.0008","67.0534","0.0007","700.52","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0672","0.0482","","","0.1469","0.1676","","","","","","1.059","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206054","8.6243","0.0007","9.3234","0.0008","10.7823","0.0009","113.309","0.0012","101.293","0.0012","93.6011","0.0013","771.27","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C40 H40 O4 -","2","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0641","0.0432","","","0.1116","0.1276","","","","","","1.01","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206055","9.1605","0.0002","9.6923","0.0002","10.218","0.0003","67.1901","0.0003","85.3952","0.0004","62.2311","0.0003","734.34","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H36 O4 -","- C38 H36 O4 -","- C38 H36 O4 -","1","0.5","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0467","0.0415","","","0.111","0.1155","","","","","","1.056","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206056","5.9075","0.001","7.3979","0.0013","28.899","0.003","90","","90.592","0.001","90","","1262.9","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H48 Br N O2 -","- C22 H48 Br N O2 -","- C44 H96 Br2 N2 O4 -","2","1","","Wei, Zengbin; Wei, Xilian; Wang, Xiuhong; Wang, Zhongni; Liu, Jie","Ionic liquid crystals of quaternary ammonium salts with a 2-hydroxypropoxy insertion group","Journal of Materials Chemistry","2011","21","19","6875","","10.1039/c1jm10236b","","","0.71073","MoKα","","0.1723","0.0692","","","0.1202","0.1386","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206057","5.6382","0.0006","7.2724","0.0007","26.007","0.002","90","","93.778","0.002","90","","1064.05","0.17","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H42 Br N -","- C19 H42 Br N -","- C38 H84 Br2 N2 -","2","1","","Wei, Zengbin; Wei, Xilian; Wang, Xiuhong; Wang, Zhongni; Liu, Jie","Ionic liquid crystals of quaternary ammonium salts with a 2-hydroxypropoxy insertion group","Journal of Materials Chemistry","2011","21","19","6875","","10.1039/c1jm10236b","","","0.71073","MoKα","","0.1109","0.0903","","","0.2336","0.26","","","","","","1.003","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206058","9.4051","0.0008","11.1593","0.001","14.825","0.0013","106.358","0.001","97.975","0.001","101.611","0.001","1430.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 N2 S -","- C39 H30 N2 S -","- C78 H60 N4 S2 -","2","1","","Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Chan, Mei-Yee; Ng, Tsz-Wai; Wen, Zhi-Chun; Zhang, Guo-Qiang; Lee, Shuit-Tong; Kwong, Hoi-Lun; Lee, Chun-Sing","Synthesis and characterization of phenanthroimidazole derivatives for applications in organic electroluminescent devices","Journal of Materials Chemistry","2011","21","22","8206","","10.1039/c1jm10326a","","","0.71073","MoKα","","0.0497","0.0427","","","0.1212","0.1326","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206059","6.7105","0.0009","11.6875","0.0015","15.534","0.002","79.793","0.002","85.714","0.002","74.038","0.002","1152.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1-amino-4-methyl-1H-tetrazol-5(4H)-iminium 4-amino-3,5- dinitropyrazol-1-ide","1-amino-4-methyl-1H-tetrazol-5(4H)-iminium 4-amino-3,5-dinitropyrazol-1-ide","","- C5 H9 N11 O4 -","- C5 H9 N11 O4 -","- C20 H36 N44 O16 -","4","2","","Zhang, Yanqiang; Huang, Yangen; Parrish, Damon A.; Shreeve, Jean'ne M.","4-Amino-3,5-dinitropyrazolate salts—highly insensitive energetic materials","Journal of Materials Chemistry","2011","21","19","6891","","10.1039/c1jm10340g","","","0.71073","MoKα","","0.0401","0.0341","","","0.0874","0.0912","","","","","","1.033","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206060","12.571","0.002","9.381","0.0016","13.169","0.002","90","","97.658","0.002","90","","1539.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Carbonohydrazidium bis-4-amino-3,5-dinitropyrazol-1-ide","","- C7 H12 N14 O9 -","- C7 H12 N14 O9 -","- C28 H48 N56 O36 -","4","0.5","","Zhang, Yanqiang; Huang, Yangen; Parrish, Damon A.; Shreeve, Jean'ne M.","4-Amino-3,5-dinitropyrazolate salts—highly insensitive energetic materials","Journal of Materials Chemistry","2011","21","19","6891","","10.1039/c1jm10340g","","","0.71073","MoKα","","0.0338","0.0314","","","0.0808","0.083","","","","","","1.054","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206061","13.5377","0.0002","13.5377","0.0002","18.3726","0.0005","90","","90","","90","","3367.13","0.12","150","2","150","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H36 Cu F6 N4 O10 Si -","- C24 H20 Cu F6 N4 O10 Si -","- C96 H80 Cu4 F24 N16 O40 Si4 -","4","0.25","","Wang, Sujuan; Li, Lei; Zhang, Jianyong; Yuan, Xiaochen; Su, Cheng-Yong","Anion-tuned sorption and catalytic properties of a soft metal‒organic solid with polycatenated frameworks","Journal of Materials Chemistry","2011","21","20","7098","","10.1039/c1jm10394f","","","1.54178","CuKα","","0.1167","0.0989","","","0.2311","0.2419","","","","","","1.012","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206062","19.118","0.003","27.955","0.005","13.258","0.002","90","","123.128","0.006","90","","5933.9","1.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 F6 -","- C35 H31 F6 -","- C280 H248 F48 -","8","1","","Lin, Sheng-Hsun; Wu, Fang-Iy; Tsai, Hsiu-Yun; Chou, Pei-Yu; Chou, Ho-Hsiu; Cheng, Chien-Hong; Liu, Rai-Shung","Highly efficient deep-blue organic electroluminescent devices doped with hexaphenylanthracene fluorophores","Journal of Materials Chemistry","2011","21","22","8122","","10.1039/c1jm10424a","","","0.71073","MoKα","","0.2254","0.0768","","","0.1674","0.2436","","","","","","0.963","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206063","13.9453","0.0003","19.2725","0.0004","24.4221","0.0005","90","","122.704","0.002","90","","5523.2","0.2","291","2","291","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H47 Eu N2 O6 -","- C68 H47 Eu N2 O6 -","- C272 H188 Eu4 N8 O24 -","4","1","","Wang, Shimin; Zhang, Jiyuan; Hou, Yanhui; Du, Chenxia; Wu, Yangjie","4,5-Diaza-9,9′-spirobifluorene functionalized europium complex with efficient photo- and electro-luminescent properties","Journal of Materials Chemistry","2011","21","21","7559","","10.1039/c1jm10480b","","","0.7107","MoKα","","0.0484","0.0313","","","0.062","0.0691","","","","","","1.064","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206064","45.265","0.004","8.3038","0.0008","9.1833","0.0009","90","","98.583","0.002","90","","3413.1","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 N2 O4 -","- C15 H30 N2 O4 -","- C120 H240 N16 O32 -","8","1","","Lin, Joseph C. Y.; Huang, Chao-June; Lee, Yi-Ting; Lee, Kwang-Ming; Lin, Ivan J. B.","Carboxylic acid functionalized imidazolium salts: sequential formation of ionic, zwitterionic, acid-zwitterionic and lithium salt-zwitterionic liquid crystals","Journal of Materials Chemistry","2011","21","22","8110","","10.1039/c1jm10580a","","","0.71073","MoKα","","0.0509","0.0433","","","0.1177","0.1305","","","","","","1.144","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206065","7.7796","0.0005","4.7083","0.0003","47.139","0.003","90","","91.573","0.003","90","","1725.99","0.19","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 Br N2 O2 -","- C15 H27 Br N2 O2 -","- C60 H108 Br4 N8 O8 -","4","1","","Lin, Joseph C. Y.; Huang, Chao-June; Lee, Yi-Ting; Lee, Kwang-Ming; Lin, Ivan J. B.","Carboxylic acid functionalized imidazolium salts: sequential formation of ionic, zwitterionic, acid-zwitterionic and lithium salt-zwitterionic liquid crystals","Journal of Materials Chemistry","2011","21","22","8110","","10.1039/c1jm10580a","","","0.71073","MoKα","","0.0653","0.0457","","","0.122","0.1381","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206066","8.5917","0.0005","14.2392","0.0014","17.7698","0.0016","95.665","0.01","98.824","0.01","103.551","0.01","2067.8","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 Br2 Si2 -","- C44 H52 Br2 Si2 -","- C88 H104 Br4 Si4 -","2","1","","Okamoto, Toshihiro; Jiang, Ying; Becerril, Hector A.; Hong, Sanghyun; Senatore, Michelle L.; Tang, Ming L.; Toney, Michael F.; Siegrist, Theo; Bao, Zhenan","Synthesis of regioregular pentacene-containing conjugated polymers","Journal of Materials Chemistry","2011","21","20","7078","","10.1039/c1jm10643k","","","0.71073","MoKα","","0.072","0.0417","","0.1088","0.1037","0.1088","","","","","","0.7655","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7206067","10.5231","0.0008","10.9713","0.0008","17.445","0.002","90.807","0.008","89.922","0.008","91.961","0.006","2012.7","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 Br2 Si2 -","- C44 H52 Br2 Si2 -","- C88 H104 Br4 Si4 -","2","1","","Okamoto, Toshihiro; Jiang, Ying; Becerril, Hector A.; Hong, Sanghyun; Senatore, Michelle L.; Tang, Ming L.; Toney, Michael F.; Siegrist, Theo; Bao, Zhenan","Synthesis of regioregular pentacene-containing conjugated polymers","Journal of Materials Chemistry","2011","21","20","7078","","10.1039/c1jm10643k","","","0.71073","MoKα","","0.1542","0.0489","","0.0823","0.0535","0.0535","","","","","","1.0662","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7206068","7.304","0.0015","9.1675","0.0018","9.5663","0.0019","90","","90","","90","","640.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Ce H13 N3 O11 P3 -","- Ce H11 N3 O11 P3 -","- Ce2 H22 N6 O22 P6 -","2","0.5","","Yi, Jianglong; Fu, Zhiyong; Liao, Shijun; Song, Desheng; Dai, Jingcao","Nitrogen-containing porous cerium trimetaphosphimate as a new efficient base catalyst","Journal of Materials Chemistry","2011","21","17","6144","","10.1039/c1jm10669d","","","0.71073","MoKα","","0.0194","0.0191","","","0.0471","0.0473","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206069","15.264","0.003","12.908","0.003","24.867","0.005","90","","99.4","0.03","90","","4833.7","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N6 O4.5 Zn -","- C26 H17 N6 O4.5 Zn -","- C208 H136 N48 O36 Zn8 -","8","1","","Fu, Zhiyong; Chen, Yuan; Zhang, Jie; Liao, Shijun","Correlation between the photoactive character and the structures of two novel metal organic frameworks","Journal of Materials Chemistry","2011","21","22","7895","","10.1039/c1jm10945f","","","0.71073","MoKα","","0.0588","0.0331","","","0.0781","0.0975","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206070","10.106","0.002","20.726","0.004","16.394","0.003","90","","93.71","0.03","90","","3426.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N6 O9 Zn2 -","- C34 H22 N6 O9 Zn2 -","- C136 H88 N24 O36 Zn8 -","4","1","","Fu, Zhiyong; Chen, Yuan; Zhang, Jie; Liao, Shijun","Correlation between the photoactive character and the structures of two novel metal organic frameworks","Journal of Materials Chemistry","2011","21","22","7895","","10.1039/c1jm10945f","","","0.71073","MoKα","","0.0787","0.053","","","0.138","0.173","","","","","","1.059","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206071","4.05818","0.000052","13.94699","0.00017","12.42233","0.00017","90","","90.6948","0.0013","90","","703.045","0.016","400","","400","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","0.99937","synchrotron","","","","","","","","","","2.055","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206072","4.01653","0.0001","13.944","0.0002","12.3686","0.0002","90","","90.526","0.001","90","","692.69","0.02","298","","298","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","1.873","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206073","6.58904","0.000079","8.60622","0.00011","16.25227","0.00021","89.7895","0.001","89.4785","0.00091","79.0643","0.0011","904.84","0.02","298","","298","","","","","","","","see text","5","P -1","-P 1","2","","","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","0.99937","synchrotron","","","","","","","","","","3.839","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206074","6.585083","0.000072","8.604378","0.000094","16.26256","0.00017","89.7706","0.00071","89.4765","0.00062","79.1189","0.00068","904.839","0.017","298","","298","","","","","","","","see text","5","P -1","-P 1","2","","","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","3.292","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206075","3.785","","3.785","","9.5196","","90","","90","","90","","136.38","","298","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Titanium oxide","Anatase","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Rezaee, Masih; Mousavi Khoie, Seyyed Mohammad; Liu, Kun Hua","The role of brookite in mechanical activation of anatase-to-rutile transformation of nanocrystalline TiO2: An XRD and Raman spectroscopy investigation","CrystEngComm","2011","13","16","5055","","10.1039/c1ce05185g","","","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206076","6.1078","0.0002","9.0766","0.0003","30.1945","0.0011","90","","92.094","0.003","90","","1672.81","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-[(2-biphenylamino)methylen]naphtalen-2(1H)-one","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.1223","0.0528","","","0.0995","0.1174","","","","","","0.949","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206077","25.3539","0.001","9.1936","0.0002","15.1458","0.0006","90","","106.93","0.004","90","","3377.4","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[N-(2-biphenyl)-2-oxy-1-naphthaldiminato]copper(II)","","","- C46 H32 Cu N2 O2 -","- C46 H32 Cu N2 O2 -","- C184 H128 Cu4 N8 O8 -","4","0.5","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.0315","0.0275","","","0.0794","0.0804","","","","","","1.158","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206078","25.3808","0.0013","8.8392","0.0004","16.2656","0.001","90","","105.756","0.006","90","","3512","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[N-(2-biphenyl)-2-oxy-1-naphthaldiminato]cobalt(II)","","","- C46 H32 Co N2 O2 -","- C46 H32 Co N2 O2 -","- C184 H128 Co4 N8 O8 -","4","0.5","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.0685","0.0409","","","0.0979","0.1039","","","","","","0.908","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206079","5.977","0.002","17.481","0.006","14.845","0.005","90","","93.708","0.006","90","","1547.8","0.9","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.1369","0.0668","","","0.1467","0.1957","","","","","","0.85","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206080","10.9252","0.0011","12.8444","0.0011","12.9669","0.0013","81.473","0.004","85.56","0.004","82.793","0.004","1782.1","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.1689","0.052","","","0.1187","0.1929","","","","","","0.895","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206081","21.82","0.06","6.006","0.018","34.11","0.1","90","","95.12","0.18","90","","4452","2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O2 -","- C28 H32 O2 -","- C224 H256 O16 -","8","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.3075","0.0859","","","0.1637","0.2571","","","","","","0.97","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206082","29.898","0.002","6.0728","0.0003","20.9859","0.0012","90","","110.252","0.003","90","","3574.7","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 O2 -","- C23 H25 O2 -","- C184 H200 O16 -","8","1","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.0636","0.0472","","","0.1419","0.158","","","","","","1.169","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206083","7.0471","0.0012","11.314","0.002","11.747","0.002","86.321","0.003","83.933","0.003","72.684","0.003","888.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 N8 Ni O18 -","- C26 H36 Cl2 N8 Ni O18 -","- C26 H36 Cl2 N8 Ni O18 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Estarellas, Carolina; Dey, Biswajit; Frontera, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata","Supramolecular assemblies involving anion‒π and lone pair‒π interactions: experimental observation and theoretical analysis","CrystEngComm","2011","13","14","4519","","10.1039/c0ce00593b","","","0.71073","MoKα","","0.044","0.034","","","0.0762","0.0791","","","","","","0.969","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206084","7.0459","0.001","11.857","0.0017","11.8501","0.0017","84.482","0.002","84.484","0.002","72.251","0.002","936.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H36 F12 N8 Ni O10 P2 -","- C26 H36 F12 N8 Ni O10 P2 -","- C26 H36 F12 N8 Ni O10 P2 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Estarellas, Carolina; Dey, Biswajit; Frontera, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata","Supramolecular assemblies involving anion‒π and lone pair‒π interactions: experimental observation and theoretical analysis","CrystEngComm","2011","13","14","4519","","10.1039/c0ce00593b","","","0.71073","MoKα","","0.0309","0.0292","","","0.0769","0.0783","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206085","8.319","0.002","16.294","0.003","9.718","0.002","90","","117.5","0.03","90","","1168.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-Acetyl-anthracene","9-Acetyl-anthracene","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1147","0.0417","","","0.0868","0.0993","","","","","","0.769","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206086","11.368","0.002","15.431","0.003","15.462","0.003","90","","90","","90","","2712.3","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Isopropyl anthracene-9-carboxylate dimer","","","- C36 H32 O4 -","- C36 H32 O4 -","- C144 H128 O16 -","4","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1447","0.0734","","","0.1841","0.2109","","","","","","1.003","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206087","9.919","0.002","8.734","0.002","18.506","0.003","90","","116.75","0.03","90","","1431.6","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Isopropyl anthracene-9-carboxylate","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.126","0.0615","","","0.1538","0.1757","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206088","9.585","0.002","13.733","0.003","9.025","0.002","90","","98.09","0.03","90","","1176.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Carbomethoxy-anthracene dimer","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0725","0.0412","","","0.0925","0.1087","","","","","","0.993","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206089","7.858","0.002","8.578","0.002","11.474","0.002","87.89","0.02","80.43","0.02","67.09","0.02","702.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","9-carbopropoxy-anthracene","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1494","0.0831","","","0.2391","0.2797","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206090","26.69","0.005","7.591","0.001","16.814","0.003","90","","122.01","0.03","90","","2888.6","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Isopropyl anthracene-9-carboxylate","Isopropyl anthracene-9-carboxylate","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0977","0.0605","","","0.1543","0.1689","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206091","8.496","0.002","9.22","0.002","10.151","0.003","85.09","0.02","70.74","0.02","69.22","0.02","701.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","9-carbopropoxy-anthracene dimer","","- C36 H32 O4 -","- C36 H32 O4 -","- C36 H32 O4 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0682","0.0441","","","0.1208","0.1317","","","","","","0.883","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206092","9.323","0.002","10.17","0.003","14.499","0.003","109.54","0.02","98.57","0.03","95.02","0.03","1267.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene","","- C66 H54 O6 -","- C66 H54 O6 -","- C66 H54 O6 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0917","0.0434","","","0.1056","0.1211","","","","","","0.961","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206093","9.341","0.002","10.333","0.003","14.545","0.004","109.68","0.02","99.28","0.03","96.19","0.03","1284.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene","","- C66 H54 O6 -","- C66 H54 O6 -","- C66 H54 O6 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.2073","0.0816","","","0.1876","0.2123","","","","","","1.261","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206094","9.375","0.002","10.734","0.003","29.95","0.006","90","","90","","90","","3013.9","1.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.072","0.0549","","","0.1433","0.1563","","","","","","1.055","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206095","9.375","0.0015","10.7698","0.0019","29.857","0.004","90","","90","","90","","3014.6","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.85 N O4 -","- C132 H155.4 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.0939","0.0725","","","0.1971","0.217","","","","","","1.108","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206096","9.3769","0.0013","10.8131","0.0018","29.707","0.004","90","","90","","90","","3012.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.784 N O4 -","- C132 H155.136 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1057","0.0778","","","0.2152","0.2411","","","","","","1.128","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206097","9.382","0.002","10.864","0.003","29.571","0.007","90","","90","","90","","3014.1","1.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.713 N O4 -","- C132 H154.852 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1344","0.0873","","","0.2281","0.2658","","","","","","1.15","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206098","9.3702","0.0013","11.016","0.002","29.134","0.005","90","","90","","90","","3007.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.444 N O4 -","- C132 H153.776 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1574","0.1011","","","0.2707","0.3158","","","","","","1.222","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206099","9.3364","0.0013","11.1836","0.0019","28.721","0.005","90","","90","","90","","2998.9","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.331 N O4 -","- C132 H153.324 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1461","0.0924","","","0.2534","0.2981","","","","","","1.183","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206100","9.3006","0.0012","11.3515","0.0016","28.334","0.004","90","","90","","90","","2991.4","0.7","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.201 N O4 -","- C132 H152.804 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1245","0.0816","","","0.2102","0.2429","","","","","","1.155","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206101","9.2818","0.0015","11.418","0.002","28.183","0.005","90","","90","","90","","2986.8","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.188 N O4 -","- C132 H152.752 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1173","0.0802","","","0.2164","0.2464","","","","","","1.142","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206102","9.2671","0.0014","11.4608","0.0018","28.078","0.004","90","","90","","90","","2982.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.126 N O4 -","- C132 H152.504 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1108","0.0772","","","0.2002","0.2259","","","","","","1.166","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206103","9.2515","0.0016","11.479","0.002","28.054","0.005","90","","90","","90","","2979.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.121 N O4 -","- C132 H152.484 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1085","0.0747","","","0.1956","0.2239","","","","","","1.141","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206104","9.2509","0.0016","11.481","0.002","28.074","0.005","90","","90","","90","","2981.7","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1018","0.0668","","","0.1559","0.1781","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206105","22.093","0.004","9.3747","0.0019","28.939","0.006","90","","90","","90","","5994","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.334 N O4 -","- C264 H306.672 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1016","0.076","","","0.1992","0.2226","","","","","","1.098","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206106","22.121","0.004","9.3817","0.0018","28.942","0.005","90","","90","","90","","6006.4","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.18 N O4 -","- C264 H305.44 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1058","0.0745","","","0.1906","0.2178","","","","","","1.106","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206107","22.142","0.004","9.3891","0.0017","28.954","0.005","90","","90","","90","","6019.3","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H37.98 N O4 -","- C264 H303.84 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1143","0.0774","","","0.198","0.2291","","","","","","1.107","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206108","22.179","0.004","9.3739","0.0017","28.978","0.006","90","","90","","90","","6025","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.2155 N O4 -","- C264 H305.724 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1307","0.0878","","","0.2321","0.2715","","","","","","1.127","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206109","22.199","0.004","9.37","0.0017","29.003","0.006","90","","90","","90","","6033","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.5385 N O4 -","- C264 H308.308 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1427","0.091","","","0.2415","0.2889","","","","","","1.145","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206110","8.189","0.0007","10.9898","0.0009","17.93","0.002","90","","105.346","0.009","90","","1556.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 - hydroxypyridine)molybdenum(VI)","(Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 -hydroxypyridine)molybdenum(VI)","","- C14 H14 Mo N2 O6 -","- C14 H14 Mo N2 O6 -","- C56 H56 Mo4 N8 O24 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0357","0.024","","","0.0593","0.0616","","","","","","0.923","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206111","8.0992","0.0016","11.4036","0.0011","17.993","0.003","90","","99.474","0.016","90","","1639.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ethanol)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI)","(Ethanol)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI)","","- C15 H16 Mo N2 O6 -","- C15 H16 Mo N2 O6 -","- C60 H64 Mo4 N8 O24 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.073","0.0331","","","0.0702","0.0777","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206112","7.7894","0.0004","10.0907","0.0007","12.5937","0.0005","86.293","0.004","81.553","0.004","69.096","0.005","914.61","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)(propanol)molybdenum(VI)","cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)(propanol)molybdenum(VI)","","- C16 H18 Mo N2 O6 -","- C16 H18 Mo N2 O6 -","- C32 H36 Mo2 N4 O12 -","2","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0596","0.0461","","","0.1207","0.1259","","","","","","0.982","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206113","8.8879","0.0003","14.5134","0.0005","16.4716","0.0006","90","","90.433","0.003","90","","2124.67","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis-dioxo(N-3-methoxysalicylidene-2-amino-3-hydroxypyridine) (4-methylpyridine)molybdenum(VI) acetonitrile solvate","cis-dioxo(N-3-methoxysalicylidene-2-amino-3-hydroxypyridine) (4-methylpyridine)molybdenum(VI) acetonitrile solvate","","- C21 H20 Mo N4 O5 -","- C21 H20 Mo N4 O5 -","- C84 H80 Mo4 N16 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0877","0.0361","","","0.0579","0.067","","","","","","1.05","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206114","7.5668","0.0003","19.3973","0.0007","14.5305","0.0006","90","","116.626","0.003","90","","1906.55","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI) acetonitrile solvate","(Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI) acetonitrile solvate","","- C18 H17 Mo N5 O5 -","- C18 H17 Mo N5 O5 -","- C72 H68 Mo4 N20 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.072","0.0333","","","0.0552","0.0615","","","","","","1.023","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206115","7.4565","0.0004","17.8707","0.0014","12.2079","0.0009","90","","93.021","0.006","90","","1624.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3- hydroxypyridine)molybdenum(VI)","(Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine)molybdenum(VI)","","- C16 H14 Mo N4 O5 -","- C16 H14 Mo N4 O5 -","- C64 H56 Mo4 N16 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0338","0.0241","","","0.0605","0.0625","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206116","11.7871","0.0006","12.8269","0.0007","13.8071","0.0006","108.49","0.005","94.104","0.004","113.811","0.005","1762.67","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI)","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI)","","- C36 H28 Mo2 N6 O10 -","- C36 H28 Mo2 N6 O10 -","- C72 H56 Mo4 N12 O20 -","2","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0719","0.0396","","","0.0983","0.1045","","","","","","0.94","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206117","12.342","0.0012","13.4804","0.0009","17.3437","0.0016","90","","131.638","0.006","90","","2156.5","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI) dichlormethane solvate","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI) dichlormethane solvate","","- C38 H32 Cl4 Mo2 N6 O10 -","- C38 H32 Cl4 Mo2 N6 O10 -","- C76 H64 Cl8 Mo4 N12 O20 -","2","0.5","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0522","0.0348","","","0.0896","0.0933","","","","","","0.94","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206118","15.725","0.001","15.839","0.002","7.4203","0.0007","90","","84.225","0.002","90","","1838.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl2 N O3 Ru -","- C16 H21 Cl2 N O3 Ru -","- C64 H84 Cl8 N4 O12 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","","","0.71073","MoKα","","0.0338","0.0267","","","0.0767","0.0852","","","","","","1.144","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206119","15.0199","0.0009","7.2739","0.0004","15.4998","0.001","90","","95.452","0.005","90","","1685.74","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C64 H76 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","","","0.71073","MoKα","","0.045","0.0343","","","0.0881","0.0943","","","","","","1.057","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206120","14.7083","0.001","15.0887","0.001","7.72552","0.00049","90","","98.0506","0.004","90","","1697.62","0.19","373","","373","","","","","","","","Phase transition","6","P 1 21/c 1","-P 2ybc","14","((eta6-p-cymene)Ru(ii)Cl2(isonicotinic acid))","[(eta6-p-cymene)Ru(II)Cl2(isonicotinic acid)]","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C64 H76 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","powder diffraction","","1.54056","CuKα11.54056CuKα21.54439","","","","","","","","","","2.34","","","","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206121","14.0995","0.001","14.0995","0.001","20.05","0.002","90","","90","","120","","3451.9","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H32 Cu2 N2 O12 -","- C54 H32 Cu2 N2 O12 -","- C162 H96 Cu6 N6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0836","0.0671","","","0.178","0.1931","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206122","14.096","0.005","14.096","0.005","20.062","0.005","90","0.005","90","0.005","120","0.005","3452.2","1.9","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H14.33 N2 Ni2 O13 -","- C54 H32 N2 Ni2 O12 -","- C162 H96 N6 Ni6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71069","MoKα","","0.0966","0.0754","","","0.1947","0.2128","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206123","14.9031","0.0007","18.2115","0.0006","18.371","0.0005","94.803","0.002","101.6","0.003","113.983","0.004","4385.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C186 H134 Cu10 N4 O62 -","- C186 H134 Cu10 N4 O62 -","- C186 H134 Cu10 N4 O62 -","1","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0943","0.0466","","","0.0955","0.1029","","","","","","0.859","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206124","8.4874","0.0012","17.602","0.002","21.025","0.003","90","","100.048","0.002","90","","3092.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu N6 O8 -","- C32 H32 Cu N6 O8 -","- C128 H128 Cu4 N24 O32 -","4","1","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0654","0.041","","","0.0908","0.1006","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206125","21.837","0.002","16.5073","0.0014","7.2252","0.0006","90","","90","","90","","2604.5","0.4","100","2","100","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","","0.71075","MoKα","","0.0392","0.0358","","","0.1","0.1101","","","","","","1.138","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206126","21.845","0.002","16.5081","0.0013","7.2355","0.0006","90","","90","","90","","2609.3","0.4","120","2","120","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0378","0.0359","","","0.0926","0.0948","","","","","","1.086","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206127","21.859","0.002","16.5084","0.0014","7.2459","0.0006","90","","90","","90","","2614.7","0.4","140","2","140","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0419","0.0384","","","0.1047","0.1144","","","","","","1.138","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206128","21.879","0.009","16.52","0.007","7.263","0.003","90","","90","","90","","2625.1","1.9","160","2","160","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0386","","","0.1053","0.1169","","","","","","1.171","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206129","21.889","0.002","16.5223","0.0014","7.275","0.0006","90","","90","","90","","2631.1","0.4","180","2","180","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0391","","","0.1066","0.1172","","","","","","1.141","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206130","21.893","0.01","16.515","0.007","7.283","0.003","90","","90","","90","","2633","2","200","2","200","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0463","0.0415","","","0.1137","0.1243","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206131","21.893","0.002","16.5073","0.0018","7.299","0.0007","90","","90","","90","","2637.8","0.5","220","2","220","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0469","0.0408","","","0.1118","0.1238","","","","","","1.161","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206132","21.926","0.01","16.514","0.008","7.31","0.003","90","","90","","90","","2647","2","240","2","240","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0498","0.044","","","0.1196","0.1305","","","","","","1.16","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206133","21.969","0.002","16.485","0.002","7.3209","0.0009","90","","90","","90","","2651.3","0.5","260","2","260","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0511","0.0439","","","0.1178","0.1305","","","","","","1.162","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206134","21.942","0.002","16.515","0.002","7.3435","0.0008","90","","90","","90","","2661.1","0.5","280","","280","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0551","0.0471","","","0.1262","0.1393","","","","","","1.182","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206135","21.84","0.002","16.506","0.0017","7.2541","0.0007","90","","90","","90","","2615","0.4","150","","150","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0458","0.0401","","","0.1095","0.1262","","","","","","1.19","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206136","6.778","0.0014","7.038","0.0014","15.05","0.003","96.59","0.03","98.42","0.03","105.27","0.03","676.2","0.3","150","","150","2","","","","","","","see text","4","P -1","-P 1","2","Pyrazinecarboxamide:4-aminosalicylic acid co-crystal hydrate","","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C24 H28 N8 O10 -","2","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.1284","0.063","","","0.1318","0.1792","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206137","7.0768","0.0006","8.1099","0.0006","15.1128","0.0012","76.138","0.011","82.477","0.01","70.923","0.01","794.54","0.12","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 I8 N2 -","- C24 H20 I8 N2 -","- C24 H20 I8 N2 -","1","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0327","0.0241","","","0.0658","0.0822","","","","","","1.14","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206138","7.6088","0.0005","7.697","0.0005","14.1513","0.0009","99.02","0.003","93.382","0.003","105.947","0.003","782.46","0.09","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 I6 N2 -","- C24 H14 F8 I6 N2 -","- C24 H14 F8 I6 N2 -","1","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0869","0.0312","","","0.0679","0.0814","","","","","","0.866","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206139","39.119","0.005","6.1713","0.0008","12.324","0.002","90","","92.106","0.016","90","","2973.2","0.7","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F8 I4 N2 -","- C26 H16 F8 I4 N2 -","- C104 H64 F32 I16 N8 -","4","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0505","0.0302","","","0.0688","0.0798","","","","","","1.016","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206140","13.98","0.002","7.108","0.0009","15.52","0.002","90","","101.51","0.02","90","","1511.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 I6 N2 -","- C24 H22 I6 N2 -","- C48 H44 I12 N4 -","2","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.061","0.0352","","","0.0708","0.0852","","","","","","1.041","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206141","9.5397","0.001","11.3337","0.0011","17.3668","0.0016","90","","90","","90","","1877.7","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I4 N2 -","- C12 H14 I4 N2 -","- C48 H56 I16 N8 -","4","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0217","0.0169","","","0.036","0.037","","","","","","1.099","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206142","7.2715","0.0008","12.498","0.0016","14.3479","0.0018","104.8","0.016","99.824","0.017","102.526","0.017","1194.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 I7 N2 -","- C12 H14 I7 N2 -","- C24 H28 I14 N4 -","2","1","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0521","0.0324","","","0.0696","0.0791","","","","","","1.013","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206143","9.77","0.002","7.3538","0.0014","14.749","0.003","90","","92.324","0.015","90","","1058.8","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 I6 N2 -","- C12 H14 I6 N2 -","- C24 H28 I12 N4 -","2","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.025","0.0195","","","0.04","0.0416","","","","","","1.023","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206144","7.3666","0.0009","7.5376","0.0009","26.01","0.003","89.788","0.006","86.141","0.007","70.266","0.006","1356.1","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 I9 N2 -","- C12 H14 I9 N2 -","- C24 H28 I18 N4 -","2","1","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0817","0.0399","","","0.0951","0.1182","","","","","","1.024","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206145","5.8638","0.0012","5.0832","0.0011","10.708","0.002","90","","92.124","0.016","90","","318.95","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-nitronitrosobenzene","4-nitronitrosobenzene","","- C6 H4 N2 O3 -","- C6 H4 N1.998 O2.998 -","- C12 H8 N3.996 O5.996 -","2","0.5","","Halasz, Ivan; Vančik, Hrvoj","Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation","CrystEngComm","2011","13","13","4307","","10.1039/c0ce00870b","","","0.71073","MoKα","","0.0658","0.0502","","","0.1085","0.1161","","","","","","1.295","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206146","3.735","0.002","6.533","0.006","13.51","0.009","90","","98.38","0.06","90","","326.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-chloronitrosobenzene","","- C6 H4 Cl N O -","- C3 H2 Cl0.5 N0.5 O0.606 -","- C6 H4 Cl N O1.212 -","2","0.5","","Halasz, Ivan; Vančik, Hrvoj","Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation","CrystEngComm","2011","13","13","4307","","10.1039/c0ce00870b","","","0.71073","MoKα","","0.1377","0.0796","","","0.1634","0.1989","","","","","","1.272","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206147","22.0053","0.0005","22.0053","0.0005","76.102","0.004","90","","90","","120","","31914","2","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C90 H72 Cu4.5 N18 O40 P W12 -","- C90 H48 Cu4.5 N18 O40 P W12 -","- C1080 H576 Cu54 N216 O480 P12 W144 -","12","0.333333","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.0609","0.0482","","","0.1275","0.1411","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206148","15.22","0.0008","15.9213","0.0008","18.079","0.001","74.933","0.001","74.646","0.001","66.294","0.001","3809.2","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Cl4 Cu9 N24 O44 P W12 -","- C144 H96 Cl4 Cu9 N24 O44 P W12 -","- C144 H96 Cl4 Cu9 N24 O44 P W12 -","1","0.5","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.0709","0.0512","","","0.1451","0.1609","","","","","","1.042","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206149","15.092","0.005","15.819","0.005","17.992","0.006","74.792","0.005","74.347","0.005","66.22","0.005","3727","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H100 B Cl4 Cu9 N24 O42 W12 -","- C144 H96 B Cl4 Cu9 N24 O42 W12 -","- C144 H96 B Cl4 Cu9 N24 O42 W12 -","1","0.5","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.1389","0.1053","","","0.2554","0.2807","","","","","","1.03","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206150","11.0794","0.0002","11.1586","0.0002","11.8673","0.0002","82.422","0.0017","88.3512","0.0017","88.9145","0.0014","1453.58","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","Bis(tetraphenylphosphonium) hexa-mu!2$-iodido-tetra copper(i) acetone monosolvate","Bis(tetraphenylphosphonium) hexa-μ~2~-iodido-tetra copper(I) acetone monosolvate","","- C51 H46 Cu4 I6 O P2 -","- C51 H46 Cu4 I6 O P2 -","- C51 H46 Cu4 I6 O P2 -","1","0.5","","Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Brismar, Hjalmar; Laurell, Fredrik; Lidin, Sven","Luminescence properties of the Cu4I62− cluster","CrystEngComm","2011","13","14","4729","","10.1039/c0ce00909a","","","0.71069","MoKα","","0.1576","0.0393","","","0.0812","0.1008","","","","1.79","1.79","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206151","15.1257","0.0001","15.5606","0.0001","24.7564","0.0002","90","","90","","90","","5826.79","0.07","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","Bis(tetraphenylphosphonium) hexa-mu!2$-iodido-tetra copper(i) acetone monosolvate","Bis(tetraphenylphosphonium) hexa-μ~2~-iodido-tetra copper(I) acetone monosolvate","","- C27 H26 Cu2 I3 O P -","- C27 H26 Cu2 I3 O P -","- C216 H208 Cu16 I24 O8 P8 -","8","1","","Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Brismar, Hjalmar; Laurell, Fredrik; Lidin, Sven","Luminescence properties of the Cu4I62− cluster","CrystEngComm","2011","13","14","4729","","10.1039/c0ce00909a","","","0.71069","MoKα","","0.0379","0.034","","","0.1075","0.1092","","","","1.85","1.85","1.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206152","43.444","0.008","7.254","0.002","9.702","0.002","90","","92.54","0.02","90","","3054.5","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N'-ethylene-bis(4-octyloxysalicylideneiminato)copper(ii)","N,N'-ethylene-bis(4-octyloxysalicylideneiminato)copper(II)","","- C32 H46 Cu N2 O4 -","- C32 H46 Cu N2 O4 -","- C128 H184 Cu4 N8 O16 -","4","0.5","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.0595","0.0414","","","0.0874","0.0935","","","","","","1.04","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206153","19.521","0.002","14.028","0.002","12.066","0.003","90","","99.2","0.02","90","","3261.7","1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N,N'-(o-phenylene)bis(4- hexyloxysalicylideneiminato)copper(ii) dichloromethane solvate","N,N'-(o-phenylene)bis(4-hexyloxysalicylideneiminato)copper(II) dichloromethane solvate","","- C33 H40 Cl2 Cu N2 O4 -","- C33 H40 Cl2 Cu N2 O4 -","- C132 H160 Cl8 Cu4 N8 O16 -","4","1","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.2237","0.0862","","","0.1913","0.2613","","","","","","1.078","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206154","14.94","0.006","5.532","0.002","42.014","0.002","90","","90.754","0.007","90","","3472.1","1.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(ii)","N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(II)","","- C40 H54 N2 Ni O4 -","- C40 H54 N2 Ni O4 -","- C160 H216 N8 Ni4 O16 -","4","1","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.1352","0.1134","","","0.2199","0.2304","","","","","","1.257","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206155","10.2393","0.0003","11.7244","0.0004","11.8311","0.0004","93.936","0.003","97.847","0.003","114.58","0.003","1267.05","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis (acetonitrile cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetonitrile solvate (1/2)","bis (acetonitrile cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetonitrile solvate (1/2)","","- C34 H32 Mo8 N10 O27 -","- C34 H32 Mo8 N10 O27 -","- C34 H32 Mo8 N10 O27 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0225","0.018","","","0.0441","0.0449","","","","","","1.016","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206156","10.5322","0.0003","11.4529","0.0003","11.6939","0.0003","92.916","0.002","95.266","0.002","114.822","0.003","1268.6","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis (acetone cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetone solvate (1/1)","bis (acetone cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato- O, N, O) molybdenum(VI)) hexamolybdate acetone solvate (1/1)","","- C35 H38 Mo8 N6 O30 -","- C35 H38 Mo8 N6 O30 -","- C35 H38 Mo8 N6 O30 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0202","0.0158","","","0.0394","0.0401","","","","","","0.943","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206157","11.0325","0.0003","11.0829","0.0004","14.1157","0.0005","100.866","0.003","105.795","0.003","112.231","0.003","1452.68","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)","bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)","","- C40 H42 Mo8 N12 O29 -","- C40 H42 Mo8 N12 O29 -","- C40 H42 Mo8 N12 O29 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0201","0.0148","","","0.037","0.0377","","","","","","1.121","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206158","10.565","0.0003","11.5974","0.0003","12.5744","0.0003","89.039","0.002","72.454","0.002","68.084","0.002","1354.85","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(acetone cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/1)","bis(acetone cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/1)","","- C37 H42 Mo8 N6 O32 -","- C37 H42 Mo8 N6 O32 -","- C37 H42 Mo8 N6 O32 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0168","0.0159","","","0.0423","0.0428","","","","","","1.107","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206159","11.2754","0.0008","7.9268","0.0005","29.789","0.002","90","","94.231","0.006","90","","2655.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N,O)molybdenum(VI)) hexamolybdate aqua (1/4)","bis(cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N,O)molybdenum(VI)) hexamolybdate aqua (1/4)","","- C34 H44 Mo8 N8 O31 -","- C34 H44 Mo8 N8 O31 -","- C68 H88 Mo16 N16 O62 -","2","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.063","0.0444","","","0.0758","0.0796","","","","","","1.173","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206160","10.257","0.0002","10.4104","0.0002","15.5335","0.0003","91.935","0.001","97.17","0.002","95.19","0.001","1637.24","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)","bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)","","- C46 H66 Mo8 N8 O33 -","- C46 H66 Mo8 N8 O33 -","- C46 H66 Mo8 N8 O33 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0209","0.0197","","","0.0501","0.0507","","","","","","1.055","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206161","8.7411","0.001","8.7411","0.001","4.474","0.0009","90","","90","","90","","341.84","0.09","148","2","148","2","","","","","","","","3","P -4 21 c","P -4 2n","114","formaldehyde","formaldehyde","","- C H2 O -","- C H2 O -","- C8 H16 O8 -","8","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0338","0.0252","","","0.0599","0.062","","","","","","0.953","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206162","8.7855","0.0006","8.5307","0.0006","8.6148","0.0007","90","","90.207","0.004","90","","645.64","0.08","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylformamide","N-methylformamide","","- C2 H5 N O -","- C2 H5 N O -","- C16 H40 N8 O8 -","8","2","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0357","0.0335","","","0.0921","0.0938","","","","","","1.05","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206163","7.134","0.008","9.694","0.011","9.93","0.01","90","","90","","90","","686.7","1.3","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C3 H4 O -","- C3 H4 O -","- C24 H32 O8 -","8","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0751","0.035","","","0.07","0.0822","","","","","","0.926","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206164","18.7033","0.0013","25.8907","0.0018","9.8896","0.0006","90","","90","","90","","4789","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H48 N12 O Ru2 -","- C52 H48 N12 O Ru2 -","- C208 H192 N48 O4 Ru8 -","4","1","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.2126","0.0769","","","0.1835","0.2572","","","","","","0.952","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206165","18.7417","0.0015","25.884","0.002","9.8779","0.0008","90","","90","","90","","4791.9","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H40 N12 Ru2 -","- C48 H40 N12 Ru2 -","- C192 H160 N48 Ru8 -","4","1","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.1845","0.0759","","","0.175","0.2117","","","","","","0.839","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206166","15.028","0.002","15.028","0.002","21.962","0.004","90","","90","","90","","4959.9","1.3","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C52 H44 Cl N8 O5.25 Ru2 -","- C52 H44 Cl N8 O4.92 Ru2 -","- C208 H176 Cl4 N32 O19.68 Ru8 -","4","0.25","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.1307","0.0471","","","0.1055","0.1679","","","","","","1.089","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206167","14.2592","0.0008","14.2608","0.0008","30.4171","0.0018","90","","90","","90","","6185.2","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","0.5","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.2048","0.0778","","","0.2314","0.3492","","","","","","0.987","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206168","5.4497","0.0004","7.4823","0.0007","16.7814","0.0013","90","","95.212","0.008","90","","681.45","0.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N3 O3 S -","- C3 H7 N3 O3 S -","- C12 H28 N12 O12 S4 -","4","1","","Luo, Jiangshui; Hu, Jin; Saak, Wolfgang; Beckhaus, Rüdiger; Wittstock, Gunther; Vankelecom, Ivo F. J.; Agert, Carsten; Conrad, Olaf","Protic ionic liquid and ionic melts prepared from methanesulfonic acid and 1H-1,2,4-triazole as high temperature PEMFC electrolytes","Journal of Materials Chemistry","2011","21","28","10426","","10.1039/c0jm04306k","","","0.71073","MoKα","","0.0466","0.0273","","","0.054","0.0574","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206169","12.2028","0.0012","12.6711","0.0012","17.5676","0.0013","90","","131.125","0.004","90","","2046.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N12 Ru -","- C18 H15 N12 Ru -","- C72 H60 N48 Ru4 -","4","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0508","0.0398","","","0.0976","0.1033","","","","","","1.008","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206170","8.1","0.0008","22.692","0.002","12.049","0.0013","90","","96.852","0.002","90","","2198.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Co N12 O3 -","- C18 H21 Co N12 O3 -","- C72 H84 Co4 N48 O12 -","4","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0651","0.0577","","","0.132","0.1364","","","","","","1.011","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206171","12.625","0.0012","20.431","0.002","33.166","0.003","90","","90","","90","","8554.9","1.4","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H31 Co2 N24 O -","- C37.998 H31 Co2 N24 O -","- C303.984 H248 Co16 N192 O8 -","8","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0856","0.0529","","","0.1313","0.1477","","","","","","1.063","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206172","12.797","0.003","17.007","0.003","8.2934","0.0017","90","","97.8","0.03","90","","1788.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C84 H84 N12 O4 -","4","1","","Dai, Qing; Liu, Weimin; Zeng, Lintao; Lee, Chun-Sing; Wu, Jiasheng; Wang, Pengfei","Aggregation-induced emission enhancement materials with large red shifts and their self-assembled crystal microstructures","CrystEngComm","2011","13","14","4617","","10.1039/c1ce05035d","","","0.71073","MoKα","","0.0808","0.0631","","","0.118","0.1248","","","","","","1.254","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206173","9.3916","0.0019","11.835","0.002","16.208","0.003","90","","95.66","0.03","90","","1792.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Dai, Qing; Liu, Weimin; Zeng, Lintao; Lee, Chun-Sing; Wu, Jiasheng; Wang, Pengfei","Aggregation-induced emission enhancement materials with large red shifts and their self-assembled crystal microstructures","CrystEngComm","2011","13","14","4617","","10.1039/c1ce05035d","","","0.71073","MoKα","","0.0598","0.0458","","","0.0989","0.1047","","","","","","1.099","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206174","3.8431","0.0004","20.241","0.002","11.3553","0.0011","90","","95.841","0.002","90","","878.72","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methoxy-5-methyl-4H-chromen-4-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree","Use of π‒π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","14","4528","","10.1039/c1ce05037k","","","0.71073","MoKα","","0.0378","0.0356","","","0.0988","0.1002","","","","","","1.132","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206175","7.2934","0.0018","13.423","0.003","9.151","0.002","90","","103.183","0.003","90","","872.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree","Use of π‒π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","14","4528","","10.1039/c1ce05037k","","","0.71073","MoKα","","0.0378","0.035","","","0.0952","0.0976","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206176","27.994","0.004","27.994","0.004","19.391","0.006","90","","90","","90","","15196","6","223","2","223","2","","","","","","","","6","I 41","I 4bw","80","","","","- C96 H157 Cl N56 O63 Rb2 -","- C96 H96 Cl N56 O38 Rb2 -","- C384 H384 Cl4 N224 O152 Rb8 -","4","0.5","","Chen, Kai; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang; Wei, Gang","Hydroquinone-induced framework based on direct coordination of rubidium ions to cucurbit[7]uril","CrystEngComm","2011","13","16","5105","","10.1039/c1ce05048f","","","0.71073","MoKα","","0.1023","0.0693","","","0.1835","0.1997","","","","","","0.968","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206177","7.3339","0.0013","18.292","0.003","7.0915","0.0012","90","","108.824","0.004","90","","900.5","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 Br2 N2 O2 -","- C12 H34 Br2 N2 O2 -","- C24 H68 Br4 N4 O4 -","2","0.5","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.02","0.0172","","","0.0441","0.0453","","","","","","1.089","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206178","7.4621","0.001","8.1058","0.0011","8.4022","0.0011","94.013","0.01","116.002","0.012","99.107","0.011","445.42","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H34 Cl2 N2 O2 -","- C12 H34 Cl2 N2 O2 -","- C12 H34 Cl2 N2 O2 -","1","0.5","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0253","0.0232","","","0.0617","0.0628","","","","","","1.071","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206179","21.45","0.004","7.3232","0.001","7.1474","0.0011","90","","92.31","0.02","90","","1121.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Br6 N2 -","- C12 H30 Br6 N2 -","- C24 H60 Br12 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0751","0.0328","","","0.0723","0.0869","","","","","","1.001","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206180","22.361","0.003","7.5412","0.0012","7.1251","0.001","90","","91.388","0.012","90","","1201.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Cl2 I4 N2 -","- C12 H32 Cl2.0086 I4.0086 N2 -","- C24 H64 Cl4.0172 I8.0172 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.04","0.0266","","","0.0594","0.0646","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206181","21.8","0.003","7.2927","0.001","6.8951","0.001","90","","91.743","0.012","90","","1095.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Br4.25 Cl1.75 N2 -","- C12 H30 Br4.252 Cl1.748 N2 -","- C24 H60 Br8.504 Cl3.496 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0428","0.0243","","","0.0509","0.0563","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206182","23.702","0.003","33.368","0.005","20.051","0.003","90","","90","","90","","15858","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C104 H164 I6 K6 N60 O67 -","- C104 H102 I6 K6 N60 O47 -","- C416 H408 I24 K24 N240 O188 -","4","0.5","","Feng, Xing; Chen, Kai; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qiang-Jiang; Tao, Zhu; Day, Anthony I.","Stable cucurbit[5]uril MOF structures as ‘beaded’ rings built on a p-hydroxybenzoic acid template—a small molecule absorption material","CrystEngComm","2011","13","16","5049","","10.1039/c1ce05051f","","","0.71073","MoKα","","0.1064","0.0575","","","0.1411","0.1582","","","","","","1.034","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206183","7.9017","0.0016","27.456","0.006","32.408","0.007","90","","95.03","0.03","90","","7004","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H22 Mn2 N6 O17 -","- C33.5 H17 Mn2 N6 O17 -","- C268 H136 Mn16 N48 O136 -","8","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0796","0.0615","","","0.1426","0.1525","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206184","12.803","0.003","12.071","0.002","28.433","0.006","90","","91.13","0.03","90","","4393.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Co2.5 N7 O20 -","- C39 H15 Co2.5 N8 O20 -","- C156 H60 Co10 N32 O80 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.1298","0.0954","","","0.2576","0.2759","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206185","11.6736","0.0004","28.3206","0.0008","13.208","0.0003","90","","106.597","0.002","90","","4184.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 Cu2.5 N8 O18 -","- C39 H31 Cu2.5 N8 O18 -","- C156 H124 Cu10 N32 O72 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0684","0.0342","","","0.0786","0.0992","","","","","","0.982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206186","10.821","0.002","13.85","0.003","14.788","0.003","70.17","0.03","82.92","0.03","85.58","0.03","2067.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 N8 O17 Zn2.5 -","- C39 H29 N8 O17 Zn2.5 -","- C78 H58 N16 O34 Zn5 -","2","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0422","0.0373","","","0.1027","0.1071","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206187","26.082","0.005","10.575","0.002","14.788","0.003","90","","103.53","0.03","90","","3965.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Cd2 N8 O16 -","- C39 H28 Cd2 N8 O16 -","- C156 H112 Cd8 N32 O64 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0293","0.0234","","","0.0499","0.0519","","","","","","1.028","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206188","10.534","0.004","11.3","0.004","12.661","0.005","101.901","0.005","108.73","0.005","99.044","0.004","1355.4","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 La2 N6 O24 -","- C42 H52 La2 N6 O24 -","- C42 H52 La2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0435","0.0372","","","0.0988","0.1039","","","","","","1.032","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206189","10.523","0.003","11.184","0.003","12.7","0.003","102.98","0.003","109.329","0.003","97.766","0.003","1338.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N6 Nd2 O24 -","- C42 H52 N6 Nd2 O24 -","- C42 H52 N6 Nd2 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0339","0.0288","","","0.0742","0.0786","","","","","","1.021","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206190","10.5152","0.0005","11.1058","0.0005","12.7396","0.0006","103.891","0.002","109.709","0.002","96.684","0.002","1327.53","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N6 O24 Sm2 -","- C42 H54 N6 O24 Sm2 -","- C42 H54 N6 O24 Sm2 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0357","0.0318","","","0.085","0.0882","","","","","","1.027","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206191","10.5226","0.0009","11.0545","0.0009","12.7711","0.0011","103.826","0.001","110.024","0.001","96.602","0.001","1323.41","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Gd2 N6 O24 -","- C42 H54 Gd2 N6 O24 -","- C42 H54 Gd2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0463","0.0348","","","0.0853","0.0923","","","","","","1.012","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206192","10.5507","0.0009","10.9265","0.001","12.8978","0.0011","103.184","0.001","111.147","0.001","96.566","0.001","1318.2","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Er2 N6 O24 -","- C42 H54 Er2 N6 O24 -","- C42 H54 Er2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.044","0.0363","","","0.0821","0.087","","","","","","1.039","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206193","7.9911","0.0001","9.675","0.0002","12.5109","0.0003","69.055","0.003","81.27","0.003","73.033","0.003","862.81","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","thiophanate-ethyl","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C28 H36 N8 O8 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.052","0.0458","","","0.1235","0.1299","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206194","4.7271","0.0001","16.0239","0.0003","22.645","0.0004","90","","93.75","0.003","90","","1711.61","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiphanate-ethyl","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C56 H72 N16 O16 S8 -","4","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0898","0.055","","","0.112","0.1283","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206195","16.0607","0.0002","17.4629","0.0002","8.456","0.0001","90","","111.432","0.003","90","","2207.63","0.06","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N4 O5 S2 -","- C17 H24 N4 O5 S2 -","- C68 H96 N16 O20 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0393","0.0359","","","0.0936","0.0967","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206196","15.5158","0.0003","18.0503","0.0004","8.5922","0.0002","90","","112.739","0.003","90","","2219.34","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 Cl3 N4 O4 S2 -","- C15 H19 Cl3 N4 O4 S2 -","- C60 H76 Cl12 N16 O16 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0893","0.0755","","","0.1918","0.2058","","","","","","1.034","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206197","16.8293","0.0003","17.0275","0.0003","8.2545","0.0002","90","","111.119","0.003","90","","2206.54","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C72 H104 N16 O24 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0704","0.0633","","","0.1799","0.187","","","","","","1.105","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206198","9.2924","0.0002","11.707","0.0003","12.1305","0.0003","65.555","0.002","68.864","0.002","76.329","0.003","1114.6","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C36 H52 N8 O12 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0575","0.0444","","","0.1089","0.1175","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206199","8.8104","0.0009","11.3513","0.0013","12.5","0.002","66.635","0.007","77.989","0.006","77.883","0.005","1111.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N5 O4 S2 -","- C19 H23 N5 O4 S2 -","- C38 H46 N10 O8 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","0.71073","MoKα","","0.0757","0.053","","","0.0985","0.1096","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206200","11.7631","0.0002","11.7631","0.0002","48.5257","0.0008","90","","90","","90","","6714.5","0.2","173","2","173","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C56 H70 N12 O12 S6 -","- C56 H70 N12 O12 S6 -","- C224 H280 N48 O48 S24 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0631","0.0434","","","0.0987","0.1084","","","","","","1.043","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206201","10.7333","0.0005","11.8079","0.0007","16.2174","0.0012","95.293","0.003","100.405","0.004","113.044","0.004","1829.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C56 H72 N16 O16 S8 -","4","2","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0963","0.0603","","","0.1413","0.1633","","","","","","1.026","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206202","16.1404","0.0003","17.3754","0.0003","8.2332","0.0002","90","","110.996","0.003","90","","2155.66","0.09","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Cl2 N4 O4 S2 -","- C15 H20 Cl2 N4 O4 S2 -","- C60 H80 Cl8 N16 O16 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.1739","0.1591","","","0.4149","0.422","","","","","","1.172","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206203","10.6942","0.0002","5.73","0.0001","15.4546","0.0005","90","","108.438","0.0009","90","","898.41","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H16 Cl6 Cu N12 -","- C6 H16 Cl6 Cu N12 -","- C12 H32 Cl12 Cu2 N24 -","2","0.5","","Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties","CrystEngComm","2011","13","14","4683","","10.1039/c1ce05143a","","","0.71073","MoKα","","0.0451","0.0285","","","0.0715","0.0759","","","","","","1.021","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206204","5.6857","0.0001","15.0893","0.0004","10.3687","0.0003","90","","92.8634","0.0008","90","","888.45","0.04","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl6 Cu N12 -","- C6 H16 Cl6 Cu N12 -","- C12 H32 Cl12 Cu2 N24 -","2","0.5","","Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties","CrystEngComm","2011","13","14","4683","","10.1039/c1ce05143a","","","0.71073","MoKα","","0.0509","0.0299","","","0.0723","0.0765","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206205","7.7821","0.0016","7.0635","0.0014","11.62","0.002","90","","90","","90","","638.7","0.2","296","2","296","2","1300000","","1300000","","","","","4","P b c a","-P 2ac 2ab","61","chloroacetonitrile","chloroacetonitrile","","- C2 H2 Cl N -","- C2 H2 Cl N -","- C16 H16 Cl8 N8 -","8","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.058","0.0493","","","0.0995","0.1043","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206206","5.936","0.0012","17.94","0.004","7.547","0.0015","90","","92.44","0.03","90","","803","0.3","296","2","296","2","1000000","","1000000","","","","","4","P 1 21/c 1","-P 2ybc","14","dichloroacetonitrile","dichloroacetonitrile","","- C2 H Cl2 N -","- C2 H Cl2 N -","- C16 H8 Cl16 N8 -","8","2","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.2091","0.0794","","","0.1439","0.1994","","","","","","1.081","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206207","15.251","0.002","15.251","0.002","8.1219","0.0016","90","","90","","90","","1889.1","0.5","296","2","296","2","900000","","900000","","","","","3","I 41 c d","I 4bw -2c","110","trichloroacetonitrile","trichloroacetonitrile","","- C2 Cl3 N -","- C2 Cl3 N -","- C32 Cl48 N16 -","16","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.0707","0.0636","","","0.1613","0.1724","","","","","","1.125","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206208","9.3455","0.0007","6.7383","0.0004","14.6868","0.0012","90","","101.529","0.004","90","","906.21","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0494","","","","0.122","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206209","11.3857","0.0009","6.7698","0.0003","12.7237","0.0009","90","","103.73","0.003","90","","952.7","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0403","","","","0.0991","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206210","9.17","0.0018","9.949","0.002","12.068","0.002","102.98","0.03","104.75","0.03","98.51","0.03","1012.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl2 N4 Zn -","- C20 H22 Cl2 N4 Zn -","- C40 H44 Cl4 N8 Zn2 -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0712","0.0464","","","0.0948","0.1048","","","","","","1.058","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206211","9.2071","0.0018","10.196","0.002","12.285","0.003","102.64","0.03","105.75","0.03","98.64","0.03","1055.7","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br2 N4 Zn -","- C20 H22 Br2 N4 Zn -","- C40 H44 Br4 N8 Zn2 -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.1564","0.0863","","","0.2023","0.2452","","","","","","1.071","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206212","8.575","0.0017","11.228","0.002","14.062","0.003","92.39","0.03","106.67","0.03","107.85","0.03","1222","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cd I2 N4 O0.5 -","- C20 H23 Cd I2 N4 O0.5 -","- C40 H46 Cd2 I4 N8 O -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.1034","0.0662","","","0.1513","0.1696","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206213","12.056","0.002","12.055","0.002","12.71","0.003","90","","93.09","0.03","90","","1844.5","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cd Cl2 N8 -","- C40 H44 Cd Cl2 N8 -","- C80 H88 Cd2 Cl4 N16 -","2","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0841","0.0571","","","0.0838","0.0922","","","","","","1.129","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206214","8.7552","0.0018","9.486","0.0019","16.064","0.003","93.72","0.03","94.91","0.03","98.88","0.03","1309.2","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Cd3 N8 O12 -","- C52 H62 Cd3 N8 O12 -","- C52 H62 Cd3 N8 O12 -","1","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0498","0.0339","","","0.0778","0.0834","","","","","","1.038","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206215","22.382","0.003","22.382","0.003","11.243","0.002","90","","90","","90","","5632.2","1.5","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H34 N4 O8 Zn2 -","- C28 H34 N4 O8 Zn2 -","- C224 H272 N32 O64 Zn16 -","8","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0637","0.0478","","","0.0968","0.1037","","","","","","1.109","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206216","11.807","0.008","7.545","0.005","3.737","0.003","90","","93.532","0.008","90","","332.3","0.4","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Cd Cl2 N2 -","- C4 H4 Cd Cl2 N2 -","- C8 H8 Cd2 Cl4 N4 -","2","0.25","","Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J.","Isostructural coordination polymers: epitaxis vs. solid solution","CrystEngComm","2011","13","13","4311","","10.1039/c1ce05164d","","","0.71073","MoKα","","0.0445","0.0445","","","0.1197","0.1197","","","","","","1.159","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206217","12.02","0.03","6.883","0.014","3.712","0.008","90","","95.82","0.02","90","","305.5","1.2","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Cl2 Cu N2 -","- C4 H4 Cl2 Cu N2 -","- C8 H8 Cl4 Cu2 N4 -","2","0.25","","Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J.","Isostructural coordination polymers: epitaxis vs. solid solution","CrystEngComm","2011","13","13","4311","","10.1039/c1ce05164d","","","0.71073","MoKα","","0.0385","0.0345","","","0.0926","0.0977","","","","","","1.131","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206218","10.2396","0.001","8.1042","0.0008","7.8045","0.0008","90","","100.031","0.01","90","","637.75","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Br2 N O2 -","- C4 H Br2 N O2 -","- C16 H4 Br8 N4 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0378","0.0243","","","0.0534","0.0577","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206219","6.9498","0.0008","8.5107","0.0011","11.2025","0.0012","100.225","0.012","98.246","0.011","95.329","0.011","640.56","0.14","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 Br2 Cl2 N4 O2 -","- C9 H6 Br2 Cl2 N4 O2 -","- C18 H12 Br4 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.034","0.0233","","","0.0513","0.0546","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206220","3.8217","0.0006","22.432","0.003","13.711","0.002","90","","97.809","0.012","90","","1164.5","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br2 N4 O2 -","- C9 H8 Br2 N4 O2 -","- C36 H32 Br8 N16 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0628","0.0391","","","0.0893","0.0982","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206221","12.267","0.002","11.93","0.002","4.9664","0.001","90","","90","","90","","726.8","0.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-diamino-3,5-dibromopyridine","","- C5 H5 Br2 N3 -","- C5 H5 Br2 N3 -","- C20 H20 Br8 N12 -","4","0.5","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0341","0.0228","","","0.0506","0.0544","","","","","","1.027","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206222","7.274","0.003","8.086","0.003","10.35","0.004","90","","101.35","0.02","90","","596.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Cl2 N O2 -","- C4 H Cl2 N O2 -","- C16 H4 Cl8 N4 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0742","0.0339","","","0.0853","0.0979","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206223","7.1818","0.0006","7.8344","0.0007","11.6453","0.0015","101.979","0.011","101.519","0.011","97.213","0.01","618.44","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Cl4 N4 O2 -","- C9 H6 Cl4 N4 O2 -","- C18 H12 Cl8 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.046","0.0342","","","0.0911","0.0964","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206224","3.7835","0.0018","11.45","0.006","13.799","0.007","97.018","0.018","96.799","0.018","96.993","0.017","583.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C18 H16 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.065","0.0403","","","0.0952","0.1093","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206225","5.5503","0.0002","5.5503","0.0002","38.4073","0.0009","90","","90","","90","","1183.17","0.07","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H Cl2 N O2 -","- C4 H Cl2 N O2 -","- C32 H8 Cl16 N8 O16 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0292","0.0265","","","0.0691","0.0696","","","","","","1.168","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206226","11.5523","0.0012","23.163","0.002","4.9721","0.0003","90","","90","","90","","1330.5","0.2","103","2","103","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C5 H5 Cl2 N3 -","- C5 H5 Cl2 N3 -","- C40 H40 Cl16 N24 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0232","0.0218","","","0.0578","0.0591","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206227","6.8874","0.0008","7.5131","0.001","11.0277","0.0016","78.312","0.008","83.145","0.01","83.916","0.01","552.84","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C18 H16 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0866","0.0515","","","0.1165","0.1316","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206228","14.1686","0.0015","20.559","0.002","6.927","0.0006","90","","99.575","0.011","90","","1989.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C72 H80 N32 O16 -","8","2","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0533","0.0348","","","0.0834","0.0987","","","","","","1.056","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206229","9.808","0.003","10.109","0.003","10.965","0.003","77.197","0.004","81.634","0.004","68.888","0.004","986.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Co2 N4 O8 -","- C42 H36 Co2 N4 O8 -","- C42 H36 Co2 N4 O8 -","1","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.097","0.0498","","","0.0986","0.119","","","","","","1.035","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206230","8.9767","0.0009","10.168","0.0011","11.8647","0.0012","68.405","0.001","84.338","0.001","78.187","0.001","985.29","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Co2 N4 O8 -","- C44 H40 Co2 N4 O8 -","- C44 H40 Co2 N4 O8 -","1","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0339","0.0318","","","0.0924","0.0946","","","","","","1.048","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206231","9.7609","0.001","10.1202","0.0011","10.9656","0.0012","76.443","0.001","81.092","0.001","68.742","0.001","978.45","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 Ni O4 -","- C21 H18 N2 Ni O4 -","- C42 H36 N4 Ni2 O8 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0305","0.027","","","0.0695","0.0718","","","","","","1.025","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206232","10.1421","0.0011","10.3265","0.0011","11.6938","0.0012","70.97","0.001","77.524","0.001","65.567","0.001","1049.4","0.19","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 Ni O5 -","- C22 H22 N2 Ni O5 -","- C44 H44 N4 Ni2 O10 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0271","0.0249","","","0.0628","0.0641","","","","","","1.053","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206233","10.811","0.001","12.298","0.001","19.58","0.001","82.23","0.004","79.12","0.005","64.53","0.005","2303.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N18 O23 -","- C30 H36 N18 O23 -","- C60 H72 N36 O46 -","2","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1432","0.0797","","","0.2058","0.2257","","","","","","1.112","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206234","15.788","0.001","12.16","0.001","7.161","","90","","96.56","0.005","90","","1365.78","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N6 O6 -","- C10 H16 N6 O6 -","- C40 H64 N24 O24 -","4","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1108","0.0659","","","0.1608","0.1773","","","","","","0.9","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206235","38.011","0.005","9.212","0.005","20.43","0.005","90","0.005","99.437","0.005","90","0.005","7057","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N7 O6 -","- C13 H15 N7 O6 -","- C208 H240 N112 O96 -","16","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1367","0.0784","","","0.2389","0.2652","","","","","","0.972","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206236","14.372","0.001","8.549","0.001","20.671","0.002","90","0.007","114.23","","90","","2316","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N6 O4 -","- C10 H12 N6 O4 -","- C80 H96 N48 O32 -","8","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1371","0.0464","","","0.0838","0.0984","","","","","","0.771","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206237","16.691","0.008","8.577","0.004","20.692","0.008","90","","117.83","0.03","90","","2620","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N13 O6 -","- C22 H27 N13 O6 -","- C88 H108 N52 O24 -","4","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.166","0.0712","","","0.162","0.1805","","","","","","0.689","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206238","7.571","","10.857","0.001","16.477","0.001","87.12","0.005","85.51","0.005","82.63","0.005","1337.96","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N6 O5 -","- C10 H16 N6 O5 -","- C40 H64 N24 O20 -","4","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.0837","0.0459","","","0.1032","0.1119","","","","","","0.944","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206239","10.7451","0.0007","8.1032","0.0005","15.3586","0.001","90","","109.279","0.001","90","","1262.28","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 I N O -","- C13 H12 I N O -","- C52 H48 I4 N4 O4 -","4","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0332","0.0247","","","","0.061","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206240","9.1134","0.0003","11.0264","0.0004","14.6077","0.0006","90","","90","","90","","1467.9","0.09","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H12 I2 N O -","- C13 H12 I2 N O -","- C52 H48 I8 N4 O4 -","4","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0145","0.0136","","","","0.0306","","","","","","1.065","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206241","9.5788","0.0008","7.8985","0.0007","42.819","0.004","90","","90","","90","","3239.6","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 I3 N O -","- C13 H12 I3 N O -","- C104 H96 I24 N8 O8 -","8","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0524","0.0419","","","","0.0772","","","","","","1.191","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206242","9.835","0.002","13.839","0.003","21.881","0.005","96.492","0.004","100.32","0.005","104.967","0.004","2790.5","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 In2 N4 O13 -","- C66 H40 In2 N4 O13 -","- C132 H80 In4 N8 O26 -","2","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.1247","0.0752","","","0.1614","0.2003","","","","","","1.087","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206243","10.7789","0.0003","8.2923","0.0002","19.6538","0.0005","90","","95.031","0.001","90","","1749.93","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13.5 In N O5.25 -","- C19 H13 In N O5.25 -","- C76 H52 In4 N4 O21 -","4","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","1.54178","CuKα","","0.0918","0.0739","","","0.2276","0.2452","","","","","","1.065","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206244","12.8039","0.0009","14.0375","0.0009","18.358","0.001","90","","90","","90","","3299.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H27 In N2 O9 -","- C38 H27 In N2 O9 -","- C152 H108 In4 N8 O36 -","4","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.0519","0.0398","","","0.0621","0.0646","","","","","","1.073","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206245","9.9495","0.0006","13.0898","0.0008","13.2297","0.0008","82.543","0.001","85.472","0.001","80.571","0.001","1682.41","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 In2 N4 O18 -","- C76 H54 In2 N4 O18 -","- C76 H54 In2 N4 O18 -","1","0.5","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.061","0.0405","","","0.086","0.0922","","","","","","1.054","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206246","10.6135","0.0012","11.6513","0.0013","14.0949","0.0015","75.745","0.002","68.609","0.002","88.736","0.002","1568.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H50 In2 N4 O16 -","- C76 H50 In2 N4 O16 -","- C76 H50 In2 N4 O16 -","1","0.5","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.1009","0.0652","","","0.0979","0.1072","","","","","","1.049","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206247","8.4186","0.001","12.573","0.0015","13.2177","0.0015","79.947","0.002","84.258","0.002","79.707","0.002","1352","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","2","","Zhang, Zhenfeng; Wu, Yanbo; Zhang, Guisheng","N⋯π and O⋯π interactions rather than “directed” hydrogen bonding in the crystal packing of ethyl (Z)-2-cyano-3-[(4-alkoxyphenyl)amino]prop-2-enoates","CrystEngComm","2011","13","14","4496","","10.1039/c1ce05199g","","","0.71073","MoKα","","0.0799","0.0464","","","0.1207","0.1451","","","","","","1.023","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206248","4.4026","0.0014","10.667","0.003","13.823","0.004","76.294","0.004","86.681","0.004","89.165","0.004","629.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Zhang, Zhenfeng; Wu, Yanbo; Zhang, Guisheng","N⋯π and O⋯π interactions rather than “directed” hydrogen bonding in the crystal packing of ethyl (Z)-2-cyano-3-[(4-alkoxyphenyl)amino]prop-2-enoates","CrystEngComm","2011","13","14","4496","","10.1039/c1ce05199g","","","0.71073","MoKα","","0.089","0.049","","","0.1188","0.143","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206249","27.3936","0.0002","27.3936","0.0002","27.3936","0.0002","90","","90","","90","","20556.4","0.3","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C156 H192 B6 Cu6 F24 N42 O42 -","- C156 H132 B6 Cu6 F24 N42 O42 -","- C624 H528 B24 Cu24 F96 N168 O168 -","4","0.166667","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.1","0.0621","","","0.1659","0.1833","","","","","","1.017","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206250","26.5623","0.0004","17.5464","0.0002","42.0801","0.0008","90","","104.125","0.002","90","","19019.4","0.5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C324 H356 Cu12 F36 N88 O60 Si6 -","- C324 H292 Cu12 F36 N88 O60 Si6 -","- C648 H584 Cu24 F72 N176 O120 Si12 -","2","0.25","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.0915","0.0605","","","0.1663","0.1764","","","","","","1.08","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206251","13.9659","0.0005","13.2766","0.0005","18.0272","0.0006","90","","104.667","0.003","90","","3233.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cu N7 O6 S -","- C34 H33 Cu N7 O6 S -","- C136 H132 Cu4 N28 O24 S4 -","4","1","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.101","0.0447","","","0.0707","0.0771","","","","","","1.013","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206252","24.7325","0.0008","12.9895","0.0007","20.3885","0.0008","90","","105.252","0.004","90","","6319.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H118 Cl4 Cu4 N30 O38 -","- C116 H98 Cl4 Cu4 N30 O38 -","- C232 H196 Cl8 Cu8 N60 O76 -","2","0.25","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.0937","0.0629","","","0.1661","0.1811","","","","","","1.006","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206253","24.6794","0.001","12.4257","0.0005","21.1689","0.0009","90","","104.994","0.004","90","","6270.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 Cu N8.5 O10.25 -","- C29 H24.5 Cu N8.5 O10.25 -","- C232 H196 Cu8 N68 O82 -","8","1","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.0936","0.0625","","","0.1607","0.1755","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206254","20.4796","0.0008","12.5996","0.0005","23.1723","0.0012","90","","104.953","0.005","90","","5776.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C115 H116 Cu4 N32 O26 -","- C115 H100 Cu4 N32 O26 -","- C230 H200 Cu8 N64 O52 -","2","0.5","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.2455","0.077","","","0.0947","0.1113","","","","","","1.023","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206255","10.2659","0.0004","20.0891","0.0008","10.3753","0.0004","90","","100.633","0.001","90","","2102.99","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Mo8 N4 O26 -","- C26 H32 Mo8 N4 O26 -","- C52 H64 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0296","0.0254","","","0.0626","0.0646","","","","","","1.041","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206256","9.68","0.0006","10.4525","0.0006","12.2127","0.0008","65.766","0.001","79.868","0.001","70.754","0.001","1062.63","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Mo4 N2 O13 -","- C14 H18 Mo4 N2 O13 -","- C28 H36 Mo8 N4 O26 -","2","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0235","0.0222","","","0.0646","0.0656","","","","","","1.056","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206257","10.434","0.002","20.632","0.004","11.583","0.002","90","","107.98","0.03","90","","2371.7","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Mo4 N2 O13 -","- C15 H20 Mo4 N2 O13 -","- C60 H80 Mo16 N8 O52 -","4","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0549","0.0517","","","0.133","0.1358","","","","","","1.097","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206258","9.6722","0.0006","9.8924","0.0006","12.7236","0.0008","105.829","0.001","94.873","0.001","95.76","0.001","1157.28","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Mo4 N2 O13 -","- C16 H22 Mo4 N2 O13 -","- C32 H44 Mo8 N4 O26 -","2","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0302","0.0263","","","0.0613","0.0635","","","","","","1.037","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206259","11.2831","0.0007","18.3289","0.0011","11.9515","0.0007","90","","90.873","0.001","90","","2471.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Mo8 N4 O26 -","- C34 H48 Mo8 N4 O26 -","- C68 H96 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0235","0.0216","","","0.0588","0.06","","","","","","1.06","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206260","15.5447","0.0008","10.1543","0.0005","16.6922","0.0008","90","","90.059","0.001","90","","2634.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Mo8 N4 O26 -","- C36 H52 Mo8 N4 O26 -","- C72 H104 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0287","0.0254","","","0.0622","0.0641","","","","","","1.069","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206261","22.684","0.002","13.1384","0.0012","19.4278","0.0017","90","","108.619","0.001","90","","5487.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H112 Mo16 N8 O52 -","- C76 H112 Mo16 N8 O52 -","- C152 H224 Mo32 N16 O104 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.1013","0.0915","","","0.2277","0.2427","","","","","","1.053","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206262","11.1947","0.0008","17.5265","0.0013","14.1876","0.001","90","","97.351","0.001","90","","2760.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Mo8 N4 O26 -","- C40 H60 Mo8 N4 O26 -","- C80 H120 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.033","0.0299","","","0.0796","0.0825","","","","","","1.05","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206263","12.5763","0.0008","13.0193","0.0009","17.646","0.0012","90","","99.014","0.001","90","","2853.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 Mo8 N4 O26 -","- C42 H64 Mo8 N4 O26 -","- C84 H128 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0233","0.0211","","","0.0532","0.0542","","","","","","1.107","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206264","12.5475","0.0007","16.7311","0.001","14.5205","0.0008","90","","97.365","0.001","90","","3023.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Mo8 N4 O26 -","- C44 H68 Mo8 N4 O26 -","- C88 H136 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0282","0.0231","","","0.054","0.0567","","","","","","1.034","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206265","5.6711","0.0011","8.1633","0.0016","8.5872","0.0017","93.01","0.004","103.997","0.004","93.971","0.004","383.83","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C20 H14 N4 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.0522","0.0408","","","0.1161","0.1209","","","","","","1.277","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206266","8.587","0.002","10.268","0.003","11.825","0.003","93.996","0.006","98.019","0.006","92.232","0.006","1028.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cl4 Co N10 O6 -","- C42 H32 Cl4 Co N10 O6 -","- C42 H32 Cl4 Co N10 O6 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1853","0.0663","","","0.1431","0.1745","","","","","","0.808","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206267","10.1791","0.0005","13.7563","0.0006","16.5846","0.0008","66.855","0.002","87.383","0.003","86.095","0.003","2129.96","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Co N12 O7 -","- C50 H37 Co N12 O7 -","- C100 H74 Co2 N24 O14 -","2","1","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1171","0.0555","","","0.1276","0.1463","","","","","","1.052","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206268","11.2647","0.0013","13.312","0.0017","13.6154","0.0017","61.92","0.004","71.986","0.004","75.482","0.004","1699.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H56 Co2 N12 O11 -","- C76 H56 Co2 N12 O11 -","- C76 H56 Co2 N12 O11 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1443","0.0536","","","0.107","0.1346","","","","","","0.914","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206269","24.492","0.005","16.886","0.003","25.983","0.005","90","","90","","90","","10746","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C108 H92 Mn4 N8 O26 S4 -","- C107.96 H92 Mn4 N8 O26 S4 -","- C431.84 H368 Mn16 N32 O104 S16 -","4","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.1268","0.0649","","","0.1582","0.1983","","","","","","1.034","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206270","12.519","0.003","22.829","0.005","11.917","0.002","90","","105.89","0.03","90","","3275.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H24 Mn2 N3 O13 S2 -","- C32 H17 Mn2 N3 O13 S2 -","- C128 H68 Mn8 N12 O52 S8 -","4","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0926","0.0752","","","0.1411","0.1474","","","","","","1.639","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206271","12.401","0.003","12.606","0.003","13.664","0.003","70.84","0.03","69.99","0.03","62.04","0.03","1736.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 Mn4 N4 O30 S4 -","- C66 H58 Mn4 N4 O30 S4 -","- C66 H58 Mn4 N4 O30 S4 -","1","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0445","0.0391","","","0.1164","0.1219","","","","","","1.089","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206272","9.2542","0.0019","12.022","0.002","13.235","0.003","80.84","0.03","79.36","0.03","86.47","0.03","1427.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N4 Ni O10 S -","- C24 H28 N4 Ni O10 S -","- C48 H56 N8 Ni2 O20 S2 -","2","1","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0687","0.0633","","","0.2047","0.213","","","","","","1.07","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206273","9.1045","0.0003","19.8708","0.0006","26.5094","0.0008","90","","97.067","0.002","90","","4759.5","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H46 N8 Ni2 O11 -","- C50 H44 N8 Ni2 O11 -","- C200 H176 N32 Ni8 O44 -","4","1","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0609","0.0488","","","0.1302","0.1386","","","","","","1.001","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206274","11.502","0.002","13.122","0.003","13.598","0.003","95.81","0.03","108.69","0.03","109.68","0.03","1779.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H50 Co3 N4 O24 S4 -","- C76 H48 Co3 N4 O24 S4 -","- C76 H48 Co3 N4 O24 S4 -","1","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.108","0.0564","","","0.1142","0.135","","","","","","1.015","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206275","8.8825","0.0019","9.736","0.002","19.949","0.005","86.367","0.012","82.052","0.01","74.5","0.008","1645.8","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C72 H92 N4 O18 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1579","0.1236","","0.247","0.2289","0.247","","","","","","1.0927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206276","20.1979","0.0006","19.3405","0.0005","9.0377","0.0002","90","","99.6836","0.001","90","","3480.16","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C144 H184 N8 O36 -","4","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.09","0.0565","","0.1309","0.1123","0.1308","","","","","","0.9514","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206277","10.2724","0.0002","13.2776","0.0002","13.7434","0.0003","68.6691","0.001","83.2934","0.0009","70.409","0.0009","1644.98","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C72 H92 N4 O18 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.0658","0.056","","0.1656","0.1558","0.1655","","","","","","0.908","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7206278","8.864","0.013","9.554","0.014","21.89","0.04","82.63","0.04","82.94","0.05","74.7","0.05","1766","5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H50 N2 O10 -","- C37 H50 N2 O10 -","- C74 H100 N4 O20 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.6889","Synchrotron","","0.1223","0.107","","0.301","0.2861","0.301","","","","","","1.0092","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206279","8.8442","0.0001","18.9677","0.0002","23.0861","0.0003","108.763","0.0004","90.3014","0.0004","102.059","0.0005","3575.06","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H47 Cl N2 O9 -","- C36.5 H47 Cl N2 O9 -","- C146 H188 Cl4 N8 O36 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1256","0.0885","","0.2828","0.232","0.2828","","","","","","0.9709","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206280","50.61","0.03","9.703","0.006","19.082","0.011","90","","110.46","0.006","90","","8779","9","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 F5 I N2 O9 -","- C42 H46 F5 I N2 O9 -","- C336 H368 F40 I8 N16 O72 -","8","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.6889","Synchrotron","","0.1126","0.0917","","0.1154","0.1028","0.1028","","","","","","1.2305","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206281","11.2663","0.0003","14.6885","0.0005","22.7937","0.0007","101.33","0.0013","102.202","0.0014","95.3807","0.0012","3578.74","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37.5 H49 N2 O9.5 -","- C37.5 H49 N2 O9.5 -","- C150 H196 N8 O38 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1387","0.0663","","0.0938","0.0587","0.0587","","","","","","1.0746","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206282","13.5639","0.0001","16.2244","0.0001","19.8583","0.0002","102.619","0.0004","92.0868","0.0004","113.495","0.0004","3873.6","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H51.25 N3.75 O9 -","- C39.5 H51.25 N3.75 O9 -","- C158 H205 N15 O36 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.0661","0.0562","","0.1441","0.1368","0.1439","","","","","","0.9236","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206283","14.5077","0.0007","15.0789","0.0007","16.3192","0.0013","107.611","0.003","100.282","0.003","110.437","0.002","3022.8","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.0579","0.0389","","","0.0921","0.1011","","","","","","1.02","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206284","14.613","0.0007","15.196","0.0007","16.3954","0.0008","107.505","0.002","99.989","0.003","110.731","0.002","3083.3","0.3","181","1","181","1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.0739","0.0412","","","0.0872","0.0995","","","","","","1.031","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206285","14.677","0.005","15.268","0.005","16.48","0.005","107.59","0.004","99.874","0.004","110.825","0.004","3124.9","1.8","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Co3 N24 O40 S6 -","- C106 H130 Co3 N24 O40 S6 -","- C106 H130 Co3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1396","0.0671","","","0.1309","0.1541","","","","","","1.035","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206286","13.5049","0.0016","14.7832","0.0018","17.414","0.002","65.672","0.002","69.922","0.002","83.052","0.002","2974.5","0.6","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H114 Co3 N24 O40 S6 -","- C98 H114 Co3 N24 O40 S6 -","- C98 H114 Co3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1494","0.067","","","0.1414","0.1726","","","","","","1.025","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206287","15.056","0.002","16.698","0.002","16.718","0.002","103.588","0.002","109.528","0.002","111.43","0.002","3368.1","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1115","0.0782","","","0.2041","0.2361","","","","","","1.011","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206288","11.385","0.005","11.484","0.005","32.225","0.005","95.42","0.005","98.059","0.005","96.035","0.005","4123","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H158 N24 O37 Zn6 -","- C174 H140 N24 O37 Zn6 -","- C174 H140 N24 O37 Zn6 -","1","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Su, Zhong-Min","A novel 3-connected [3 + 3] topological net showing both rotaxane- and catenane-like motifs","CrystEngComm","2011","13","15","4945","","10.1039/c1ce05277b","","","0.71069","MoKα","","0.0989","0.0551","","","0.1311","0.1555","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206289","11.166","0.002","17.71","0.004","19.669","0.004","90","","97.07","0.03","90","","3860","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cd2 N3 O9 S -","- C32 H29 Cd2 N3 O9 S -","- C128 H116 Cd8 N12 O36 S4 -","4","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1191","0.0737","","","0.1171","0.1304","","","","","","1.108","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206290","9.4824","0.0019","9.584","0.0019","12.153","0.002","98.3","0.03","108.55","0.03","111.24","0.03","932.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl N2 O2 Zn -","- C21 H18 Cl N2 O2 Zn -","- C42 H36 Cl2 N4 O4 Zn2 -","2","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1611","0.095","","","0.1963","0.2299","","","","","","1.091","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206291","7.2223","0.0014","8.2583","0.0017","11.575","0.002","104.61","0.03","101.05","0.03","99.64","0.03","638.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cd Cl2 N O2 -","- C10 H12 Cd Cl2 N O2 -","- C20 H24 Cd2 Cl4 N2 O4 -","2","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.0447","0.0304","","","0.0539","0.0568","","","","","","1.123","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206292","19.008","0.004","12.186","0.002","22.35","0.005","90","","90","","90","","5177","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 Cd N2 O4 -","- C29 H22 Cd N2 O4 -","- C232 H176 Cd8 N16 O32 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1639","0.096","","","0.1276","0.1452","","","","","","1.184","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206293","18.327","0.004","11.613","0.002","22.078","0.004","90","","90","","90","","4698.9","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O4 Zn -","- C29 H22 N2 O4 Zn -","- C232 H176 N16 O32 Zn8 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1213","0.0719","","","0.1515","0.175","","","","","","1.074","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206294","9.959","0.003","11.667","0.003","6.3044","0.0011","90","","90","","90","","732.5","0.3","293","","293","","","","400000","","","","","3","I b a m","-I 2 2c","72","","","","- C3 H4 O2 -","- C3 H4 O2 -","- C24 H32 O16 -","8","0.5","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0761","0.0427","","0.1187","0.0931","0.1187","","","","","","1.0324","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206295","5.1352","0.001","9.802","0.003","6.85","0.004","90","","97.28","0.03","90","","342","0.2","293","","293","","","","650000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 O2 -","- C3 H4 O2 -","- C12 H16 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0754","0.0409","","0.0888","0.0808","0.0888","","","","","","1.0481","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206296","3.8056","0.0003","10.4842","0.0008","11.6286","0.001","90","","91.468","0.004","90","","463.81","0.06","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0399","0.0318","","0.087","0.0841","0.087","","","","","","0.9771","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206297","3.8808","0.0011","10.616","0.006","11.718","0.004","90","","91.24","0.02","90","","482.7","0.3","293","","293","","","","300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.1155","0.059","","0.1354","0.1143","0.1354","","","","","","1.0836","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206298","3.7643","0.0013","13.501","0.006","8.308","0.005","90","","101.22","0.03","90","","414.2","0.3","293","","293","","","","1500000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0854","0.0456","","0.1118","0.0978","0.1118","","","","","","1.0658","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206299","16.793","0.003","21.363","0.004","10.187","0.002","90","","106.379","0.003","90","","3506.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N6 O7 Zn -","- C30 H30 N6 O7 Zn -","- C120 H120 N24 O28 Zn4 -","4","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.1181","0.0778","","","0.242","0.2824","","","","","","1.041","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206300","18.042","0.002","19.55","0.002","17.324","0.002","90","","116.211","0.002","90","","5482.2","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 Co2 N12 O9 -","- C60 H60 Co2 N12 O9 -","- C240 H240 Co8 N48 O36 -","4","0.5","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0887","0.0519","","","0.1264","0.1496","","","","","","1.078","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206301","10.2524","0.0013","10.5382","0.0013","16.458","0.002","72.288","0.002","84.972","0.002","61.58","0.002","1486.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cd N6 O6 -","- C30 H34 Cd N6 O6 -","- C60 H68 Cd2 N12 O12 -","2","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0733","0.0538","","","0.1305","0.1459","","","","","","1.096","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206302","34.981","0.005","8.4913","0.0013","18.479","0.003","90","","121.777","0.002","90","","4666.1","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N3 O5 Zn -","- C23 H26 N3 O5 Zn -","- C184 H208 N24 O40 Zn8 -","8","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0749","0.056","","","0.1672","0.1909","","","","","","1.04","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206303","9.1247","0.0019","12.1808","0.0019","13.519","0.004","82.922","0.003","88.411","0.002","84.781","0.002","1484.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H70 Co2 N12 O9 -","- C64 H70 Co2 N12 O9 -","- C64 H70 Co2 N12 O9 -","1","0.5","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0469","0.0383","","","0.0983","0.1052","","","","","","1.028","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206304","9.0628","0.001","12.4562","0.0014","27.207","0.003","83.786","0.001","85.363","0.002","82.622","0.002","3021","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Cd2 N12 O8 -","- C64 H68 Cd2 N12 O8 -","- C128 H136 Cd4 N24 O16 -","2","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.086","0.0459","","","0.0954","0.134","","","","","","0.998","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206305","8.002","0.0003","15.734","0.0005","14.337","0.0006","90","","102.76","0.04","90","","1760.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2,4,6-trimethyl)phenylene]dioxamalate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1077","0.0743","","","0.2083","0.2647","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206306","9.964","0.0003","10.218","0.0003","10.579","0.0004","80.969","0.002","87.691","0.002","87.649","0.001","1062.2","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate","Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate","","- C19 H26 N2 O7 -","- C19 H26 N2 O7 -","- C38 H52 N4 O14 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1121","0.0815","","","0.2147","0.2484","","","","","","1.157","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206307","8.2302","0.0012","23.218","0.003","8.1795","0.0012","90","","94.665","0.002","90","","1557.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2-methyl)phenylene]dioxamalate","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.0578","0.0537","","","0.123","0.1254","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206308","8.0352","0.0007","16.0173","0.0014","14.398","0.0014","90","","102.681","0.002","90","","1807.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2,4,6-trimethyl)phenylene]dioxamalate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.0883","0.0519","","","0.1001","0.1028","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206309","9.008","0.0018","9.551","0.0019","10.593","0.0019","94.8","0.02","99.01","0.03","109.34","0.03","840.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-Bis(2-(2-hydroxyethylamino)oxalyl)-1,3-(2-methyl) phenylenediamine","N,N'-Bis[2-(2-hydroxyethylamino)oxalyl]-1,3-(2-methyl) phenylenediamine","","- C15 H20 N4 O6 -","- C14.998 H19.995 N4 O5.999 -","- C29.996 H39.99 N8 O11.998 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1192","0.0804","","","0.2297","0.2432","","","","","","0.959","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206310","11.4567","0.0006","12.905","0.0007","16.4558","0.001","90","","101.828","0.002","90","","2381.3","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis-[2-(2-(2-hydroxyethoxy)ethylamino) oxalyl]-1,3-(2,4,6-trimethyl)phenylenediamine","","- C21 H32 N4 O8 -","- C21 H32 N4 O8 -","- C84 H128 N16 O32 -","4","0.5","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1085","0.0677","","","0.1568","0.1703","","","","","","0.816","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206311","13.066","0.003","24.384","0.005","13.303","0.003","90","","90","0.03","90","","4238.4","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-Bis[(2-(2-hydroxyethylamino)oxalyl)]-1,3- (5-tertbuthyl-2-methoxy)phenylenediamine","","- C19 H28 N4 O7 -","- C19 H28 N4 O7 -","- C152 H224 N32 O56 -","8","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1021","0.0551","","","0.1371","0.1858","","","","","","1.121","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206312","10.093","0.003","20.139","0.005","9.676","0.002","90","","102.269","0.003","90","","1921.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br Co N4 O4 -","- C17 H15 Br Co N4 O4 -","- C68 H60 Br4 Co4 N16 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0766","0.0416","","","0.0938","0.1133","","","","","","1.043","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206313","18.519","0.008","13.366","0.006","7.971","0.004","90","","113.072","0.005","90","","1815.2","1.5","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H15 Br Co N4 O4 -","- C17 H15 Br Co N4 O4 -","- C68 H60 Br4 Co4 N16 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0679","0.0634","","","0.1649","0.1694","","","","","","1.064","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206314","9.7514","0.0013","10.143","0.0014","11.2886","0.0016","108.396","0.001","106.263","0.001","102.921","0.001","955.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Br N4 Ni O5 -","- C17 H17 Br N4 Ni O5 -","- C34 H34 Br2 N8 Ni2 O10 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0374","0.0279","","","0.0603","0.065","","","","","","1.025","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206315","10.1385","0.001","17.0608","0.0017","21.875","0.002","90","","90","","90","","3783.7","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Br N4 Ni O4 -","- C18 H17 Br N4 Ni O4 -","- C144 H136 Br8 N32 Ni8 O32 -","8","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0588","0.0348","","","0.0671","0.0771","","","","","","1.031","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206316","10.07","0.002","10.547","0.002","10.69","0.002","71.61","0.03","68.23","0.03","62.68","0.03","922.1","0.4","100","3","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Fe N3 O6 S4 -","- C14 H12 Fe N3 O6 S4 -","- C28 H24 Fe2 N6 O12 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0335","0.028","","","0.0674","0.0701","","","","","","0.991","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206317","13.464","0.003","12.053","0.002","14.304","0.003","90","","95.68","0.03","90","","2309.9","0.8","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H20 Fe N5 O7 S4 -","- C14 H20 Fe N5 O7 S4 -","- C56 H80 Fe4 N20 O28 S16 -","4","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0324","0.0299","","","0.0741","0.0755","","","","","","1.075","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206318","16.093","0.003","13.984","0.003","16.47","0.003","90","","90","","90","","3706.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Fe N3 O5 S4 -","- C14 H10 Fe N3 O5 S4 -","- C112 H80 Fe8 N24 O40 S32 -","8","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0345","0.028","","","0.0661","0.0695","","","","","","1.041","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206319","8.4799","0.0014","15.706","0.003","5.75","0.001","90","","90","","90","","765.8","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H4 Br N3 O3 Pb -","- C3 H4 Br N3 O3 Pb -","- C12 H16 Br4 N12 O12 Pb4 -","4","1","","Safarifard, Vahid; Morsali, Ali","Reversible crystal-to-crystal transformation of a 3D‒3D coordination polymer by solid state anion-replacement with no change in nano-particle morphology","CrystEngComm","2011","13","15","4817","","10.1039/c1ce05311f","","","0.71073","MoKα","","0.026","0.0237","","","0.0528","0.0534","","","","","","1.021","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206320","30.125","0.011","9.449","0.003","12.692","0.005","90","","90","","90","","3613","2","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H26 Eu N6 S3 Sb -","- C8 H26 Eu N6 S3 Sb -","- C64 H208 Eu8 N48 S24 Sb8 -","8","1","","Zhou, Jian; Yin, Xian-Hong; Zhang, Feng","Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand","CrystEngComm","2011","13","15","4806","","10.1039/c1ce05314k","","","0.71073","MoKα","","0.0344","0.0313","","","0.0788","0.0812","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206321","27.566","0.007","8.4157","0.0017","18.003","0.007","90","","116.71","0.03","90","","3731","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H52 Cl2 Eu2 N12 S5 Sb2 -","- C16 H52 Cl2 Eu2 N12 S5 Sb2 -","- C64 H208 Cl8 Eu8 N48 S20 Sb8 -","4","0.5","","Zhou, Jian; Yin, Xian-Hong; Zhang, Feng","Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand","CrystEngComm","2011","13","15","4806","","10.1039/c1ce05314k","","","0.71073","MoKα","","0.065","0.0445","","","0.0796","0.0828","","","","","","0.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206322","8.6551","0.0002","12.9917","0.0004","19.0093","0.0004","109.596","0.002","96.091","0.002","90.55","0.002","1999.99","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F4 I2 N O -","- C18 H16 F4 I2 N O -","- C72 H64 F16 I8 N4 O4 -","4","2","","Davy, Karl J. P.; McMurtrie, John; Rintoul, Llew; Bernhardt, Paul V.; Micallef, Aaron S.","Vapour phase assembly of a halogen bonded complex of an isoindoline nitroxide and 1,2-diiodotetrafluorobenzene","CrystEngComm","2011","13","16","5062","","10.1039/c1ce05344b","","","0.71073","MoKα","","0.0709","0.0342","","","0.0392","0.041","","","","","","0.945","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206323","14.9609","0.0009","26.488","0.0016","15.382","0.0009","90","","109.998","0.001","90","","5728.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H58.5 Cd3 N10 O19.25 -","- C56 H54 Cd3 N10 O19.25 -","- C224 H216 Cd12 N40 O77 -","4","0.5","","He, Jianghong; Chen, Haiyan; Xiao, Dongrong; Sun, Dianzhen; Zhang, Guangju; Yan, Shiwei; Xin, Guanghua; Yuan, Ruo; Wang, Enbo","An unprecedented 3-fold interpenetrated double-edged pseudo-diamondoid network containing exceptional 5-fold interlocking tri-flexure helices and 15-fold interwoven helices","CrystEngComm","2011","13","15","4841","","10.1039/c1ce05349c","","","0.71073","MoKα","","0.0292","0.0249","","","0.0858","0.0903","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206324","29.536","0.002","29.536","0.002","41.76","0.006","90","","90","","120","","31550","5","100","2","100","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C120 H108 N4 O40 Zn8 -","- C120 H76 N4 O38.445 Zn8 -","- C720 H456 N24 O230.67 Zn48 -","6","1","","Han, Shuangbing; Ma, Zhenbo; Wei, Yanhu; Kravtsov, Victor Ch.; Luisi, Brian S.; Kulaots, Indrek; Moulton, Brian","A single-crystalline microporous coordination polymer with mixed parallel and diagonal interpenetrating α-Po networks","CrystEngComm","2011","13","15","4838","","10.1039/c1ce05354j","","","0.71073","MoKα","","0.1092","0.0788","","","0.2074","0.2165","","","","","","1.008","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206325","13.175","0.004","13.175","0.004","13.175","0.004","104","","104","","104","","2040.5","1.1","296","2","296","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C12 H66 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","1","0.166667","","Niu, Jing-Yang; Ma, Xiang; Zhao, Jun-Wei; Ma, Peng-Tao; Zhang, Chao; Wang, Jing-Ping","A novel organic‒inorganic hybrid turbine-shaped hexa-Zn sandwiched tungstoarsenate(iii)","CrystEngComm","2011","13","15","4834","","10.1039/c1ce05358b","","","0.71073","MoKα","","0.0557","0.0405","","","0.0997","0.1069","","","","","","1.072","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206326","10.5015","0.0003","19.8003","0.0004","21.249","0.0005","90","","103.696","0.002","90","","4292.73","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Cd2 N8 O8 -","- C46 H28 Cd2 N8 O8 -","- C184 H112 Cd8 N32 O32 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.063","0.0452","","","0.1188","0.1258","","","","","","1.026","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206327","9.3505","0.0004","20.6898","0.0009","20.1672","0.0009","90","","101.284","0.002","90","","3826.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N8 O8 -","- C42 H28 Cd2 N8 O8 -","- C168 H112 Cd8 N32 O32 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0419","0.0313","","","0.0775","0.0849","","","","","","1.044","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206328","20.0411","0.0003","8.3805","0.0001","13.2718","0.0002","90","","93.905","0.001","90","","2223.88","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N4 O9 Pb3 -","- C22 H12 N4 O9 Pb3 -","- C88 H48 N16 O36 Pb12 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0603","0.0544","","","0.1827","0.1905","","","","","","1.073","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206329","27.28","0.003","31.413","0.004","6.6156","0.0008","90","","90","","90","","5669.2","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H26 N4 O14 Sr -","- C22 H26 N4 O14 Sr -","- C176 H208 N32 O112 Sr8 -","8","0.5","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0312","0.0243","","","0.0539","0.0559","","","","","","1.007","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206330","11.9677","0.0011","12.2012","0.0011","14.7386","0.0013","67.613","0.001","74.527","0.001","63.724","0.001","1771.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H72 Mn3 Mo12 N8 O69 P8 -","- C12 H44 Mn3 Mo12 N8 O69 P8 -","- C12 H44 Mn3 Mo12 N8 O69 P8 -","1","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.036","0.0316","","","0.0925","0.1037","","","","","","1.117","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206331","11.7581","0.0013","13.0974","0.0014","14.6365","0.0016","106.167","0.001","108.385","0.001","107.433","0.001","1859.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H74 Mn3 Mo12 N8 O66 P8 -","- C16 H52 Mn3 Mo12 N8 O66 P8 -","- C16 H52 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0283","0.0263","","","0.0837","0.0858","","","","","","1.102","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206332","13.2131","0.0008","22.1308","0.0013","13.6152","0.0008","90","","103.464","0.001","90","","3871.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H90 Mn Mo12 N12 O70 P8 -","- C16 H90 Mn Mo12 N12 O70 P8 -","- C32 H180 Mn2 Mo24 N24 O140 P16 -","2","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0306","0.0248","","","0.0634","0.0658","","","","","","1.032","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206333","32.322","0.002","12.1782","0.0009","22.691","0.0017","90","","128.238","0.001","90","","7015.4","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H68 Cu2 Mo12 N10 O65 P8 -","- C10 H50 Cu2 Mo12 N10 O65 P8 -","- C40 H200 Cu8 Mo48 N40 O260 P32 -","4","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0334","0.0275","","","0.0819","0.0906","","","","","","1.086","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206334","14.347","0.0018","14.347","0.0018","20.408","0.002","90","","90","","120","","3637.9","0.7","298","2","298","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 N12 O35 Zn11 -","- C48 H60 N12 O35 Zn11 -","- C96 H120 N24 O70 Zn22 -","2","0.166667","","Zeng, Rong-Rong; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","An unusual (3,6)-connected microporous metal‒organic framework based on tetrahedral Zn4 clusters with selective adsorption of CO2","CrystEngComm","2011","13","15","4823","","10.1039/c1ce05429e","","","0.71073","MoKα","","0.1019","0.0662","","","0.1703","0.192","","","","","","1.048","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206335","17.8722","0.0008","17.8722","0.0008","14.3521","0.0013","90","","90","","90","","4584.3","0.5","293","2","293","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C24 H22 Cd8 F3 N35 S2 -","- C24 H22 Cd8 F3 N35 S2 -","- C96 H88 Cd32 F12 N140 S8 -","4","0.25","","Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Batten, Stuart R.","An unusual uninodal 10-connected self-penetrating network built from sixteen-nuclear hybrid cadmium clusters","CrystEngComm","2011","13","14","4508","","10.1039/c1ce05462g","","","0.71073","MoKα","","0.0628","0.0415","","","0.0881","0.0986","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206336","9.0589","0.0003","6.197","0.0002","8.6426","0.0003","90","","105.932","0.003","90","","466.54","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 Br4 O2 -","- C6 Br4 O2 -","- C12 Br8 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.0353","","","","0.0949","","","","","","1.09","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206337","7.594","0.0002","10.6229","0.0004","16.928","0.0005","91.426","0.003","91.085","0.003","100.728","0.003","1340.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Br4 K O3 -","- C9 H6 Br4 K O3 -","- C36 H24 Br16 K4 O12 -","4","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","","1.54179","CuKα","","","0.0787","","","","0.233","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206338","10.4655","0.0001","16.7229","0.0002","7.4574","0.0001","90","","102.892","0.001","90","","1272.25","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl4 K O3 -","- C9 H6 Cl4 K O3 -","- C36 H24 Cl16 K4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54184","CuKα","","","0.0369","","","","0.0962","","","","","","1.04","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206339","8.1909","0.0003","3.6689","0.0003","15.5125","0.0006","90","","97.712","0.003","90","","461.96","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 Br4 Na O2 -","- C6 Br4 Na O2 -","- C12 Br8 Na2 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.072","","","","0.2649","","","","","","1.092","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206340","4.3382","0.0001","13.864","0.0002","17.4665","0.0002","90","","90","","90","","1050.52","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","","1.54184","CuKα","","","0.045","","","","0.1241","","","","","","1.032","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206341","4.334","0.0001","13.5784","0.0003","17.4009","0.0003","90","","90","","90","","1024.02","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.043","","","","0.1115","","","","","","1.104","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206342","10.4749","0.0001","16.96","0.0001","7.6663","0.0001","90","","103.267","0.001","90","","1325.6","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl4 O3 Rb -","- C9 H6 Cl4 O3 Rb -","- C36 H24 Cl16 O12 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.0333","","","","0.0898","","","","","","1.074","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206343","7.4105","0.0003","8.9753","0.0003","12.2407","0.0004","94.259","0.002","94.526","0.003","100.2","0.002","795.54","0.05","280","2","280","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0771","0.0486","","","0.1186","0.1337","","","","","","1.043","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206344","7.3605","0.0002","8.9292","0.0003","12.2136","0.0003","94.491","0.002","94.715","0.002","100.07","0.002","784.16","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0746","0.054","","","0.1403","0.1641","","","","","","1.13","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206346","8.8708","0.0002","12.1901","0.0003","14.6128","0.0004","94.97","0.001","100.217","0.001","95.036","0.001","1540.67","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C68 H72 N8 O8 S4 -","4","2","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0716","0.0475","","","0.1213","0.138","","","","","","1.075","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206347","10.6987","0.0002","12.4986","0.0003","11.9748","0.0003","90","","91.067","0.001","90","","1600.98","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O3 S -","- C17 H18 N2 O3 S -","- C68 H72 N8 O12 S4 -","4","1","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0613","0.0428","","","0.1013","0.1123","","","","","","1.013","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206348","8.8589","0.0003","10.2068","0.0004","11.4469","0.0004","64.251","0.004","84.5","0.003","74.527","0.003","898.24","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","pyrrolo(2,1-a)quinoxaline'","","","- C25 H18 N2 -","- C25 H18 N2 -","- C50 H36 N4 -","2","1","","Rustagi, Vineeta; Aggarwal, Trapti; Verma, Akhilesh K.","Highly efficient Ag(i)-catalyzed regioselective tandem synthesis of diversely substituted quinoxalines and benzimidazoles in water","Green Chemistry","2011","13","7","1640","","10.1039/c1gc15346c","","","1.54184","CuKα","","0.0465","0.0419","","","0.1133","0.1171","","","","","","1.045","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206349","9.309","0.005","28.239","0.005","7.304","0.005","90","0.005","102.501","0.005","90","0.005","1874.5","1.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Rustagi, Vineeta; Aggarwal, Trapti; Verma, Akhilesh K.","Highly efficient Ag(i)-catalyzed regioselective tandem synthesis of diversely substituted quinoxalines and benzimidazoles in water","Green Chemistry","2011","13","7","1640","","10.1039/c1gc15346c","","","0.71073","MoKα","","0.046","0.0395","","","0.1043","0.109","","","","","","1.034","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206350","14.7078","0.0011","10.1581","0.0008","17.88","0.0014","90","","105.789","0.001","90","","2570.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Fe N3 S6 -","- C18 H36 Fe N3 S6 -","- C72 H144 Fe4 N12 S24 -","4","1","","Akhtar, Masood; Akhter, Javeed; Malik, M. Azad; O'Brien, Paul; Tuna, Floriana; Raftery, James; Helliwell, Madeleine","Deposition of iron sulfide nanocrystals from single source precursors","Journal of Materials Chemistry","2011","21","26","9737","","10.1039/c1jm10703h","","","0.71073","MoKα","","0.0644","0.0539","","","0.1175","0.1236","","","","","","1.139","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206351","7.974","0.002","11.999","0.003","12.112","0.003","76.157","0.005","79.844","0.005","83.699","0.005","1104.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Fe N3 O0.5 S6 -","- C14 H28 Fe N3 O0.5 S6 -","- C28 H56 Fe2 N6 O S12 -","2","1","","Akhtar, Masood; Akhter, Javeed; Malik, M. Azad; O'Brien, Paul; Tuna, Floriana; Raftery, James; Helliwell, Madeleine","Deposition of iron sulfide nanocrystals from single source precursors","Journal of Materials Chemistry","2011","21","26","9737","","10.1039/c1jm10703h","","","0.71073","MoKα","","0.0891","0.0618","","","0.1455","0.1589","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206352","7.074","0.0003","10.1883","0.0004","13.977","0.0005","80.255","0.003","87.742","0.003","89.718","0.003","992.04","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 Br2 N -","- C22 H21 Br2 N -","- C44 H42 Br4 N2 -","2","1","","Keyworth, Colin W.; Chan, Khai Leok; Labram, John G.; Anthopoulos, Thomas D.; Watkins, Scott E.; McKiernan, Mary; White, Andrew J. P.; Holmes, Andrew B.; Williams, Charlotte K.","The tuning of the energy levels of dibenzosilole copolymers and applications in organic electronics","Journal of Materials Chemistry","2011","21","32","11800","","10.1039/c1jm11242b","","","1.54184","CuKα","","0.0436","0.0364","","","0.0963","0.1005","","","","","","1.075","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206353","19.3994","0.0004","9.571","0.0002","28.8219","0.0007","90","","100.402","0.002","90","","5263.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 Br2 N3 O -","- C28 H29 Br2 N3 O -","- C224 H232 Br16 N24 O8 -","8","1","","Keyworth, Colin W.; Chan, Khai Leok; Labram, John G.; Anthopoulos, Thomas D.; Watkins, Scott E.; McKiernan, Mary; White, Andrew J. P.; Holmes, Andrew B.; Williams, Charlotte K.","The tuning of the energy levels of dibenzosilole copolymers and applications in organic electronics","Journal of Materials Chemistry","2011","21","32","11800","","10.1039/c1jm11242b","","","0.71073","MoKα","","0.0673","0.0345","","","0.0714","0.0745","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206354","15.5726","0.001","20.4685","0.0013","20.6449","0.0013","65.399","0.001","74.616","0.001","82.172","0.001","5766.3","0.6","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H36 Br24 Cl5 O12 Si8 -","- C54 H20 Br24 Cl2 O12 Si8 -","- C108 H40 Br48 Cl4 O24 Si16 -","2","1","","Roll, Mark F.; Mathur, Priyanka; Takahashi, Kunio; Kampf, Jeffrey W.; Laine, R. M.","[PhSiO1.5]8 promotes self-bromination to produce [o-BrPhSiO1.5]8: further bromination gives crystalline [2,5-Br2PhSiO1.5]8 with a density of 2.32 g cm−3 and a calculated refractive index of 1.7 or the tetraicosa bromo compound [Br3PhSiO1.5]8","Journal of Materials Chemistry","2011","21","30","11167","","10.1039/c1jm11536g","","","0.71073","MoKα","","0.0757","0.0629","","","0.1935","0.2024","","","","","","1.089","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206355","12.7172","0.0009","12.7392","0.0009","13.089","0.0009","97.592","0.001","109.075","0.001","116.231","0.001","1699.3","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H24 Br16 O12 S2 Si8 -","- C49 H24 Br16 O12 S2 Si8 -","- C49 H24 Br16 O12 S2 Si8 -","1","0.5","","Roll, Mark F.; Mathur, Priyanka; Takahashi, Kunio; Kampf, Jeffrey W.; Laine, R. M.","[PhSiO1.5]8 promotes self-bromination to produce [o-BrPhSiO1.5]8: further bromination gives crystalline [2,5-Br2PhSiO1.5]8 with a density of 2.32 g cm−3 and a calculated refractive index of 1.7 or the tetraicosa bromo compound [Br3PhSiO1.5]8","Journal of Materials Chemistry","2011","21","30","11167","","10.1039/c1jm11536g","","","0.71073","MoKα","","0.0313","0.027","","","0.0742","0.0765","","","","","","1.045","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206356","20.5738","0.001","20.5738","0.001","36.261","0.004","90","","90","","90","","15349","2","85","2","85","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H57 Br8 O12 Si8 -","- C64 H52 Br8 O12 Si8 -","- C512 H416 Br64 O96 Si64 -","8","0.5","","Roll, Mark F.; Mathur, Priyanka; Takahashi, Kunio; Kampf, Jeffrey W.; Laine, R. M.","[PhSiO1.5]8 promotes self-bromination to produce [o-BrPhSiO1.5]8: further bromination gives crystalline [2,5-Br2PhSiO1.5]8 with a density of 2.32 g cm−3 and a calculated refractive index of 1.7 or the tetraicosa bromo compound [Br3PhSiO1.5]8","Journal of Materials Chemistry","2011","21","30","11167","","10.1039/c1jm11536g","","","0.71073","MoKα","","0.0626","0.0526","","","0.146","0.153","","","","","","1.089","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206359","8.6311","0.0005","8.7661","0.0005","10.5768","0.0007","66.499","0.003","79.521","0.003","62.868","0.002","653.12","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.053","0.0444","","","0.119","0.1258","","","","","","1.055","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206360","7.6474","0.0007","8.8813","0.0008","11.2042","0.0011","95.515","0.005","105.036","0.005","109.059","0.004","680.87","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C26 H34 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0658","0.0455","","","0.1157","0.1274","","","","","","1.021","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206361","8.8953","0.0002","9.5137","0.0005","10.4456","0.0003","106.759","0.001","108.95","0.001","99.042","0.001","769.25","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C30 H42 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0368","0.0346","","","0.0978","0.0998","","","","","","1.047","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206362","6.8377","0.0003","8.6356","0.0004","13.3174","0.0007","90.211","0.002","104.461","0.002","109.951","0.002","712.33","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0406","0.038","","","0.1068","0.109","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206363","7.0986","0.0002","7.1127","0.0002","10.466","0.0002","98.291","0.001","92.733","0.001","98.19","0.001","516.32","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N6 O10 -","- C18 H26 N6 O10 -","- C18 H26 N6 O10 -","1","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.033","0.032","","","0.0902","0.0911","","","","","","1.031","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206364","16.7326","0.0006","13.6932","0.0006","8.1323","0.0004","90","","92.992","0.002","90","","1860.76","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C64 H96 N24 O32 -","4","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0578","0.0384","","","0.085","0.0933","","","","","","1.026","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206365","4.5537","0.0006","9.3845","0.0011","11.1398","0.0014","79.342","0.004","85.338","0.005","85.904","0.004","465.52","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","1","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0446","0.0364","","","0.0935","0.098","","","","","","1.061","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206366","22.979","0.01","10.157","0.004","15.902","0.007","90","","118.944","0.004","90","","3248","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Br5 Cu3 N4 O4 -","- C22 H36 Br5 Cu3 N4 O4 -","- C88 H144 Br20 Cu12 N16 O16 -","4","0.5","","Biswas, Apurba; Saha, Rajat; Ghosh, Ashutosh","Two unusual mixed-valent trinuclear CuII2CuI complexes containing copper(i) tribromide dianion as bridging ligand: Identification of an unprecedented doubly hydrogen-bonded water dimer","CrystEngComm","2011","13","17","5342","","10.1039/c0ce00784f","","","0.71073","MoKα","","0.0973","0.0624","","","0.179","0.2024","","","","","","1.044","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206367","23.267","0.003","11.0415","0.0016","15.727","0.002","90","","122.907","0.002","90","","3392.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 Br3 Cu3 N4 O4 -","- C26 H46 Br3 Cu3 N4 O4 -","- C104 H184 Br12 Cu12 N16 O16 -","4","0.5","","Biswas, Apurba; Saha, Rajat; Ghosh, Ashutosh","Two unusual mixed-valent trinuclear CuII2CuI complexes containing copper(i) tribromide dianion as bridging ligand: Identification of an unprecedented doubly hydrogen-bonded water dimer","CrystEngComm","2011","13","17","5342","","10.1039/c0ce00784f","","","0.71073","MoKα","","0.1291","0.0712","","","0.2055","0.2423","","","","","","1.024","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206368","8.7502","0.0011","5.059","0.002","21.53","0.02","90","","96.37","0.03","90","","947.2","1","294","","294","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C4 H5 Li O2 -","- C4 H5 Li O2 -","- C32 H40 Li8 O16 -","8","1","","Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.","Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate","CrystEngComm","2011","13","13","4339","","10.1039/c0ce00810a","","","1.54178","CuKα","","0.0981","0.0552","","0.119","0.068","0.068","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206369","23.2503","0.0007","4.9968","0.0003","14.8231","0.0005","90","","120.128","0.0014","90","","1489.46","0.11","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 Li N O3 -","- C5 H8 Li N O3 -","- C40 H64 Li8 N8 O24 -","8","1","","Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.","Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate","CrystEngComm","2011","13","13","4339","","10.1039/c0ce00810a","","","0.71073","MoKα","","0.0498","0.0336","","0.0925","0.0864","0.0925","","","","","","0.9799","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206370","10.9611","0.0013","16.2605","0.0018","21.915","0.003","90","","90","","90","","3906","0.8","273","2","273","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C96 H240 Cl16 Co4 Cu8 N24 Ni8 O24 -","4","0.5","","Nesterov, Dmytro S.; Graiff, Claudia; Tiripicchio, Antonio; Pombeiro, Armando J. L.","Direct synthesis and crystal structure of a new pentanuclear heterotrimetallic Cu/Co/Ni complex with 2-(dimethylamino)ethanol. Discussion of possible “butterfly-like” molecular structure types","CrystEngComm","2011","13","17","5348","","10.1039/c1ce05049d","","","0.71073","MoKα","","0.0401","0.0276","","","0.077","0.0829","","","","","","0.948","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206371","7.7391","0.0004","5.2338","0.0002","26.9102","0.0013","90","","90.321","0.005","90","","1089.98","0.09","294","2","294","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","NppM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0816","0.0512","","","0.1285","0.1405","","","","","","0.97","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206372","8.2919","0.0003","10.26","0.0003","13.5713","0.0004","90","","100.919","0.003","90","","1133.67","0.06","294","2","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NpmM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0623","0.0342","","","0.0774","0.0827","","","","","","0.896","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206373","13.0101","0.0006","10.4826","0.0003","9.7957","0.0004","90","","122.729","0.006","90","","1123.84","0.11","294","2","294","1","","","","","","","","4","C 1 c 1","C -2yc","9","NpoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.036","0.03","","","0.0785","0.0805","","","","","","0.993","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206374","10.5017","0.0005","4.8807","0.0002","21.3459","0.0009","90","","100.868","0.004","90","","1074.47","0.08","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NmpM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0993","0.0363","","","0.065","0.073","","","","","","0.766","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206375","9.3767","0.0004","9.9187","0.0003","12.3386","0.0004","86.958","0.003","86.98","0.003","71.41","0.003","1085.36","0.07","294","2","294","1","","","","","","","","4","P -1","-P 1","2","NmmM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0754","0.0565","","","0.1735","0.1789","","","","","","1.094","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206376","8.0664","0.0002","9.4009","0.0002","29.5324","0.0008","90","","90","","90","","2239.48","0.1","294","2","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","NmoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.066","0.0396","","","0.1002","0.107","","","","","","0.977","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206377","6.0828","0.0002","27.0507","0.0008","7.1963","0.0003","90","","111.673","0.004","90","","1100.4","0.07","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NopM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0664","0.0347","","","0.0759","0.0828","","","","","","0.842","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206378","9.2326","0.0004","14.0836","0.0004","9.4162","0.0004","90","","105.661","0.004","90","","1178.92","0.08","294","2","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","NomM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.1375","0.0292","","","0.0362","0.0446","","","","","","0.667","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206379","7.7696","0.0002","17.6232","0.0003","8.8462","0.0003","90","","114.817","0.004","90","","1099.41","0.06","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NooM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0613","0.0365","","","0.0881","0.0934","","","","","","0.926","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206380","7.36124","0.00011","14.41068","0.00019","11.21075","0.00016","90","","90","","90","","1189.24","0.03","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Cl_NopM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0297","0.026","","","0.0639","0.0652","","","","","","0.983","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206381","7.417","0.002","21.006","0.004","8.546","0.002","90","","115.28","0.03","90","","1204","0.6","294","2","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cl-NomM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.1192","0.0657","","","0.2127","0.2332","","","","","","1.004","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206382","7.3288","0.0006","7.4392","0.0005","21.5025","0.0014","90","","91.481","0.007","90","","1171.93","0.15","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cl_NooM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0531","0.0375","","","0.099","0.1034","","","","","","1.068","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206383","19.87","0.002","10.8608","0.0009","4.9241","0.0005","90","","90","","90","","1062.64","0.18","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","NmpFM","","","- C25 H21 F N4 O2 -","- C25 H21 F N4 O2 -","- C50 H42 F2 N8 O4 -","2","0.5","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0448","0.0348","","","0.0888","0.0926","","","","","","1.049","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206384","9.29748","0.00017","17.0234","0.0003","11.6312","0.0002","90","","96.4898","0.0007","90","","1829.13","0.06","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N6 O2 -","- C40 H42 N6 O2 -","- C80 H84 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.051","","","","0.0799","","","","","","1.342","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206385","9.05098","0.00016","18.4036","0.0003","10.30599","0.00019","90","","95.8851","0.0007","90","","1707.63","0.05","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N6 O2 -","- C38 H38 N6 O2 -","- C76 H76 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0573","","","","0.0923","","","","","","1.783","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206386","10.17467","0.00018","10.78264","0.00019","14.7446","0.0003","108.431","0.0007","93.431","0.0007","105.419","0.0007","1460.99","0.05","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C60 H76 N12 O4 -","2","1","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0702","","","","0.1067","","","","","","1.911","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206387","8.2371","0.0004","8.8466","0.0004","11.253","0.0005","89.726","0.003","70.2419","0.0019","83.791","0.003","766.76","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0762","","","","0.2816","","","","","","1.201","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206388","8.248","0.0003","23.4817","0.0007","9.0521","0.0003","90","","94.551","0.0016","90","","1747.66","0.1","296.1","","296.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H50 N6 O2 -","- C36 H50 N6 O2 -","- C72 H100 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0527","","","","0.0794","","","","","","1.214","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206389","8.1103","0.0005","9.1024","0.0006","14.0291","0.001","80.067","0.003","88.748","0.004","78.422","0.003","999.3","0.12","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H58 N6 O2 -","- C40 H58 N6 O2 -","- C40 H58 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0758","","","","0.2376","","","","","","0.84","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206390","8.041","0.0009","9.1576","0.0011","14.7496","0.0018","80.917","0.006","83.981","0.006","78.266","0.005","1047.1","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.082","","","","0.2802","","","","","","1.111","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206391","8.1175","0.0003","12.4218","0.0004","13.0984","0.0004","62.6097","0.0016","86.3048","0.0019","76.9618","0.0018","1141.28","0.07","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N6 O2 -","- C46 H70 N6 O2 -","- C46 H70 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0693","","","","0.0932","","","","","","1.383","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206392","6.5447","0.0002","7.4781","0.0003","8.7578","0.0003","90","","93.8955","0.0014","90","","427.63","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H8 Er N O8 -","- C4 H8 Er N O8 -","- C8 H16 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0299","0.0259","","","0.0532","0.0541","","","","","","0.997","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206393","6.6118","0.0001","7.5662","0.0002","9.2756","0.0002","90","","99.8267","0.0012","90","","457.215","0.017","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H10 Er N O8 -","- C5 H10 Er N O8 -","- C10 H20 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0232","0.0214","","","0.0488","0.0492","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206394","6.6552","0.0002","18.3549","0.0005","8.4346","0.0003","90","","90","","90","","1030.33","0.06","290","","290","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Er N2 O8 -","- C5 H9 Er N2 O8 -","- C20 H36 Er4 N8 O32 -","4","0.5","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0294","0.0224","","","0.0428","0.0439","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206395","6.6456","0.0003","8.0898","0.0003","20.1549","0.001","90","","90","","90","","1083.56","0.08","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0585","0.0317","","","0.0487","0.0524","","","","","","0.917","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206396","6.6973","0.0001","8.2497","0.0002","20.3822","0.0006","90","","90","","90","","1126.13","0.05","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Er N2 O8 -","- C7 H9 Er N2 O8 -","- C28 H36 Er4 N8 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0415","0.0252","","","0.0476","0.05","","","","","","0.924","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206397","6.6349","0.0002","8.6371","0.0003","9.6727","0.0003","90","","102.101","0.002","90","","541.99","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O8 -","- C6 H12 Er N O8 -","- C12 H24 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0339","0.0252","","","0.0443","0.0455","","","","","","0.96","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206398","6.6243","0.0002","8.6345","0.0003","9.7545","0.0002","90","","102.599","0.0014","90","","544.5","0.03","293","2","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O9 -","- C6 H12 Er N O9 -","- C12 H24 Er2 N2 O18 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.025","0.0204","","","0.0387","0.0395","","","","","","0.994","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206399","16.283","0.003","20.73","0.004","7.3864","0.0013","90","","114.943","0.002","90","","2260.7","0.7","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl2 O5 -","- C22 H22 Cl2 O5 -","- C88 H88 Cl8 O20 -","4","0.5","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.0809","0.059","","","0.1896","0.206","","","","","","1.111","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206400","7.6152","0.0007","9.7211","0.0009","13.3979","0.0012","73.869","0.001","84.374","0.001","89.451","0.001","948.02","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 Cl2 O3 -","- C22 H22 Cl2 O3 -","- C44 H44 Cl4 O6 -","2","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.044","0.0373","","","0.0996","0.1044","","","","","","1.06","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206401","23.981","0.007","23.981","0.007","17.162","0.005","90","","90","","120","","8547","4","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H24 Cl2 O3 -","- C22 H22 Cl2 O3 -","- C396 H396 Cl36 O54 -","18","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.0674","0.0508","","","0.1368","0.1484","","","","","","1.074","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206402","28.67338","0.00023","11.152871","0.000061","10.668212","0.000055","90","","90","","90","","3411.59","0.04","298","2","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","Propylthiouracil","6-propyl-2-thiouracil","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","","Ferreira, Fabio Furlan; Trindade, Antonio Carlos; Antonio, Selma Gutierrez; de Oliveira Paiva-Santos, Carlos","Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction","CrystEngComm","2011","13","17","5474","","10.1039/c1ce05362k","powder diffraction","","1.23982","synchrotron","","","","","","","","0.01572","0.0157","1.6","","","","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206403","9.959","0.0005","10.0093","0.0005","11.8264","0.0006","94.823","0.001","110.532","0.001","118.443","0.001","924.49","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cu4 N10 O13 -","- C34 H32 Cu4 N10 O13 -","- C34 H32 Cu4 N10 O13 -","1","0.5","","Wu, Jin-Ji; Xue, Wei; Cao, Man-Li; Qiao, Zheng-Ping; Ye, Bao-Hui","Temperature-dependent supramolecular isomers of a tetranuclear macrocycle and a zigzag chain based on dicopper building blocks","CrystEngComm","2011","13","17","5495","","10.1039/c1ce05370a","","","0.71073","MoKα","","0.0267","0.0248","","","0.0677","0.0693","","","","","","1.061","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206404","7.5589","0.0005","13.892","0.0008","18.9818","0.0012","90","","97.233","0.001","90","","1977.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Cu4 N10 O15.5 -","- C34 H37 Cu4 N10 O15.5 -","- C68 H74 Cu8 N20 O31 -","2","0.5","","Wu, Jin-Ji; Xue, Wei; Cao, Man-Li; Qiao, Zheng-Ping; Ye, Bao-Hui","Temperature-dependent supramolecular isomers of a tetranuclear macrocycle and a zigzag chain based on dicopper building blocks","CrystEngComm","2011","13","17","5495","","10.1039/c1ce05370a","","","0.71073","MoKα","","0.0511","0.0364","","","0.0837","0.0921","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206405","18.87","0.002","18.87","0.002","9.7466","0.0012","90","","90","","120","","3005.6","0.6","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C42 H56 Cl3 Co N18 O19 -","- C42 H30 Cl3 Co N18 O19 -","- C84 H60 Cl6 Co2 N36 O38 -","2","0.166667","","Kawade, Vitthal A.; Kumbhar, Avinash S.; Erxleben, Andrea; Pachfule, Pradip; Banerjee, Rahul","Hydrogen bond directed honeycomb-like porous network structure of tris(bipyridyl-glycoluril)cobalt(iii) chloride","CrystEngComm","2011","13","17","5289","","10.1039/c1ce05376k","","","0.71073","MoKα","","0.1212","0.1015","","","0.2574","0.273","","","","","","1.273","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206406","9.4301","0.0007","9.4986","0.0007","12.5942","0.0009","105.235","0.002","101.467","0.002","93.622","0.002","1058.75","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H56 N6 Ni O5 P2 S4 -","- C33 H56 N6 Ni O5 P2 S4 -","- C33 H56 N6 Ni O5 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]","CrystEngComm","2011","13","17","5321","","10.1039/c1ce05387f","","","0.71073","MoKα","","0.0379","0.0304","","","0.076","0.0834","","","","","","1.103","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206407","15.0369","0.0005","17.5722","0.0006","24.6552","0.0008","89.796","0.002","73.261","0.002","72.496","0.002","5925.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H50 N6 Ni O4 P2 S4 -","- C30 H50 N6 Ni O4 P2 S4 -","- C180 H300 N36 Ni6 O24 P12 S24 -","6","3","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]","CrystEngComm","2011","13","17","5321","","10.1039/c1ce05387f","","","0.71073","MoKα","","0.0983","0.0468","","","0.0989","0.1213","","","","","","1.006","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206408","10.67","0.0006","10.9118","0.0007","11.7075","0.0007","106.238","0.003","94.151","0.003","91.344","0.003","1303.92","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H46 Cr Mn Mo6 N4 Na O38 -","- C32 H28 Cr Mn Mo6 N4 Na O38 -","- C32 H28 Cr Mn Mo6 N4 Na O38 -","1","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0292","0.0271","","","0.0779","0.0798","","","","","","1.029","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206409","10.2656","0.0007","15.8195","0.0009","32.146","0.002","90","","96.754","0.004","90","","5184.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H98 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","- C96 H84 Cr4 Mn6 Mo24 N12 O164 -","2","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0393","0.0319","","","0.0879","0.0926","","","","","","1.058","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206410","14.275","0.002","14.3852","0.0019","15.755","0.002","115.364","0.007","93.342","0.009","112.53","0.007","2602.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H98 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","1","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0887","0.0447","","","0.1147","0.1324","","","","","","1.012","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206411","18.918","0.0013","7.3603","0.0004","12.9038","0.0007","90","","96.722","0.002","90","","1784.4","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N8 O9 -","- C14 H14 Cu N8 O9 -","- C56 H56 Cu4 N32 O36 -","4","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0265","0.0258","","","0.0718","0.0723","","","","","","1.047","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206412","8.2308","0.0003","18.9146","0.0006","11.7353","0.0004","90","","91.232","0.001","90","","1826.56","0.11","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H28 Cl2 Cu3 N16 O21 -","- C18 H24 Cl2 Cu3 N17 O21 -","- C36 H48 Cl4 Cu6 N34 O42 -","2","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0499","0.047","","","0.1375","0.1408","","","","","","1.06","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206413","7.067","0.004","7.563","0.004","9.867","0.005","69.266","0.007","88.868","0.008","75.042","0.007","475","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu N8 O10 -","- C14 H16 Cu N8 O10 -","- C14 H16 Cu N8 O10 -","1","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.027","0.0259","","","0.0683","0.0692","","","","","","1.029","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206414","10.1419","0.0014","8.3005","0.0011","24.505","0.003","90","","108.03","0.005","90","","1961.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14.5 Cu2 N8 O10.25 -","- C14 H14 Cu2 N8 O10.25 -","- C56 H56 Cu8 N32 O41 -","4","1","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0486","0.0378","","","0.0871","0.0918","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206415","10.35","0.002","11.989","0.002","21.671","0.004","86.9","0.03","78.51","0.03","69.14","0.03","2462","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Mn(biphen)2(3-pic)2][Na(EtOH)3(biphenH2)]","","","- C54 H58 Mn N2 Na O9 -","- C54 H58 Mn N2 Na O9 -","- C108 H116 Mn2 N4 Na2 O18 -","2","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.0941","0.061","","","0.1454","0.1634","","","","","","1.065","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206416","11.814","0.002","12.513","0.003","22.786","0.005","96.06","0.03","98.11","0.03","115.49","0.03","2957.6","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(py)3(EtOH)2)n","","","- C67 H59 Mn2 N3 Na2 O10 -","- C67 H57 Mn2 N3 Na2 O10 -","- C134 H114 Mn4 N6 Na4 O20 -","2","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.1225","0.0599","","","0.1218","0.1411","","","","","","0.966","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206417","11.293","0.002","15.606","0.003","17.596","0.004","84.81","0.03","77.73","0.03","81.07","0.03","2988.2","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(EtOH)3(3-cnp)2)n","","","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","1","0.5","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.158","0.0814","","","0.1366","0.1698","","","","","","1.036","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7206418","10.377","0.002","21.331","0.004","23.121","0.005","90","","99.53","0.03","90","","5047.2","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Na(biphenH2)(EtOH)2(H2O))(Mn(biphen)2(4-cnp)2)","","","- C52 H46 Mn N4 Na O9 -","- C52 H46 Mn N4 Na O9 -","- C208 H184 Mn4 N16 Na4 O36 -","4","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.1069","0.0725","","","0.2473","0.2652","","","","","","1.059","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206419","8.0916","0.0003","11.3472","0.0005","13.267","0.0004","90","","105.773","0.002","90","","1172.27","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","propallylonal, noctal, nostal, quietal, ibomal","5-Isopropyl-5-(2-bromoallyl)-barbituric acid","","- C10 H13 Br N2 O3 -","- C10 H13 Br N2 O3 -","- C40 H52 Br4 N8 O12 -","4","1","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0671","0.0439","","","0.092","0.0992","","","","","","1.052","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206420","11.544","0.0003","11.5528","0.0003","20.0656","0.0005","90","","100.481","0.003","90","","2631.41","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C64 H32 Cl32 N32 O48 -","16","4","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0261","0.0235","","","0.0567","0.0572","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206421","11.3096","0.0003","12.9226","0.0004","29.1608","0.0008","90","","90","","90","","4261.8","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C96 H48 Cl48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0389","0.03","","","0.0638","0.0671","","","","","","1.045","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206422","11.4204","0.0002","12.9897","0.0003","30.0304","0.0008","90","","90","","90","","4454.94","0.18","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dibromorobarbituric acid","","- C4 H2 Br2 N2 O3 -","- C4 H2 Br2 N2 O3 -","- C96 H48 Br48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0742","0.0519","","","0.0991","0.1078","","","","","","1.006","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206423","17.5105","0.0012","6.6869","0.0003","13.6714","0.0009","90","","110.493","0.008","90","","1499.49","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5-dibromorobarbituric acid","","- C4 H2 Br2 N2 O3 -","- C4 H2 Br2 N2 O3 -","- C32 H16 Br16 N16 O24 -","8","2","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0597","0.0349","","","0.0668","0.0696","","","","","","0.883","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206424","5.2387","0.0008","7.0211","0.0011","33.169","0.006","90.775","0.017","92.741","0.012","101.073","0.008","1195.6","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C21 H40 N4 O4 -","- C21 H40 N4 O4 -","- C42 H80 N8 O8 -","2","1","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.1229","0.0817","","","0.2076","0.2417","","","","","","1.006","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206425","51.63","0.004","4.7775","0.0003","4.129","0.0003","90","","90","","90","","1018.47","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","4","P m n 21","P 2ac -2","31","","","","- C17 H33 N5 O4 -","- C17 H33 N5 O4 -","- C34 H66 N10 O8 -","2","0.5","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.0831","0.0793","","","0.2398","0.2424","","","","","","1.002","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206426","5.404","0.0007","5.4119","0.0008","40.042","0.007","90","","96.158","0.009","90","","1164.3","0.3","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H41 N3 O4 -","- C22 H41 N3 O4 -","- C44 H82 N6 O8 -","2","1","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.1601","0.1129","","","0.3017","0.3339","","","","","","1.074","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206427","11.3496","0.0012","16.7326","0.0019","17.71","0.002","90","","98.499","0.001","90","","3326.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 N4 O6 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1086","0.0485","","","0.07","0.08","","","","","","0.98","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206428","14.7035","0.0014","17.1809","0.0017","16.0916","0.0016","90","","104.6","0.001","90","","3933.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 N6 O8 Zn -","- C43 H42 N6 O8 Zn -","- C172 H168 N24 O32 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1097","0.0512","","","0.1107","0.1279","","","","","","0.996","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206429","11.683","0.01","15.571","0.014","26.71","0.02","90","","90","","90","","4859","7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.1 H53.9 N7.7 O9.7 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1387","0.0623","","","0.0975","0.1057","","","","","","0.85","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206430","9.7267","0.0006","10.5251","0.0007","34.007","0.002","90","","90","","90","","3481.4","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cl6 N6 O8 -","- C26.75 H23.75 Cl5.25 N6 O8 -","- C107 H95 Cl21 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.0961","0.059","","","0.1687","0.206","","","","","","1.038","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206431","9.754","0.001","10.353","0.001","31.859","0.003","90","","90","","90","","3217.2","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl6 N6 O8 -","- C25 H24 Cl6 N6 O8 -","- C100 H96 Cl24 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.1195","0.0578","","","0.1242","0.1686","","","","","","1.218","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206432","22.5402","0.0006","16.4113","0.0003","15.8608","0.0005","90","","117.669","0.004","90","","5196.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Co2 N12 O8 -","- C56 H44 Co2 N12 O8 -","- C224 H176 Co8 N48 O32 -","4","0.5","","Yang, Jin; Ma, Jian-Fang; Batten, Stuart R.; Ng, Seik Weng; Liu, Ying-Ying","Supramolecular isomers: the first 3-fold interpenetrating 8-connected hex-c3 net and an unusual 4-fold interpenetrating 65.8 net","CrystEngComm","2011","13","17","5296","","10.1039/c1ce05775h","","","1.54178","CuKα","","0.0838","0.0636","","","0.1527","0.1613","","","","","","0.935","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206433","12.897","0.005","13.785","0.005","29.519","0.005","90","0.005","95.998","0.005","90","0.005","5219","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 Co2 N12 O8 -","- C56 H44 Co2 N12 O8 -","- C224 H176 Co8 N48 O32 -","4","1","","Yang, Jin; Ma, Jian-Fang; Batten, Stuart R.; Ng, Seik Weng; Liu, Ying-Ying","Supramolecular isomers: the first 3-fold interpenetrating 8-connected hex-c3 net and an unusual 4-fold interpenetrating 65.8 net","CrystEngComm","2011","13","17","5296","","10.1039/c1ce05775h","","","1.54184","CuKα","","0.1362","0.0685","","","0.1519","0.1746","","","","","","0.827","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206434","6.7837","0.0011","8.7711","0.0012","10.7042","0.0015","75.951","0.012","71.904","0.013","77.94","0.013","581.1","0.16","120","2","120","2","","","","","","","","3","P -1","-P 1","2","7-benzyl-6-ethynyl-7H-purine","7-benzyl-6-ethynyl-7H-purine","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0505","0.0387","","","0.0902","0.0957","","","","","","1.056","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206435","4.9475","0.0007","10.0332","0.0012","21.929","0.003","90","","90","","90","","1088.5","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-benzyl-7H-purine-6-carbonitrile","7-benzyl-7H-purine-6-carbonitrile","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0531","0.045","","","0.0882","0.0924","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206436","21.133","0.002","8.8277","0.0012","13.0345","0.0016","90","","96.616","0.01","90","","2415.5","0.5","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","9-benzyl-N-methyl-9H-purin-6-amine","9-benzyl-N-methyl-9H-purin-6-amine","","- C13 H13 N5 -","- C13 H13 N5 -","- C104 H104 N40 -","8","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0709","0.0412","","","0.1","0.1143","","","","","","0.953","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206437","6.3306","0.0002","20.0666","0.0007","9.8174","0.0002","90","","106.713","0.004","90","","1194.46","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N2.5 O0.5 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad","Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations.","Physical chemistry chemical physics : PCCP","2011","13","35","15845","15853","10.1039/c1cp21047e","","","0.71073","MoKα","","0.0413","0.0329","","","0.0936","0.1184","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206438","16.8348","0.001","16.8841","0.0007","17.4604","0.001","90","","109.748","0.007","90","","4671.1","0.5","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N2 -","- C15 H11 N2 -","- C240 H176 N32 -","16","2","","Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad","Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations.","Physical chemistry chemical physics : PCCP","2011","13","35","15845","15853","10.1039/c1cp21047e","","","0.71073","MoKα","","0.0531","0.0381","","","0.0933","0.1023","","","","","","0.948","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206439","8.6367","0.0006","5.2081","0.0003","10.6375","0.0008","90","","110.579","0.008","90","","447.95","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine","azacyclopentane","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Pressure-induced pseudorotation in crystalline pyrrolidine.","Physical chemistry chemical physics : PCCP","2011","13","34","15428","15431","10.1039/c1cp21087d","","","0.71073","MoKα","","0.045","0.0361","","","0.0986","0.105","","","","","","1.041","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206440","8.717","0.002","5.233","0.001","10.831","0.002","90","","110.45","0.03","90","","462.93","0.19","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine","azacyclopentane","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Pressure-induced pseudorotation in crystalline pyrrolidine.","Physical chemistry chemical physics : PCCP","2011","13","34","15428","15431","10.1039/c1cp21087d","","","0.71073","","","0.1047","0.0629","","","0.1892","0.2815","","","","","","1.005","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206441","7.702","0.002","4.938","0.001","10.572","0.002","94.37","0.03","98.54","0.03","99.59","0.03","389.96","0.16","295","2","295","2","","","1500000","","","","","3","P -1","-P 1","2","pyrrolidine","azacyclopentane","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","2","","Dziubek, Kamil F.; Katrusiak, Andrzej","Pressure-induced pseudorotation in crystalline pyrrolidine.","Physical chemistry chemical physics : PCCP","2011","13","34","15428","15431","10.1039/c1cp21087d","","","0.71073","MoKα","","0.1324","0.0764","","","0.1652","0.192","","","","","","1.055","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206442","12.592","0.009","3.903","0.003","14.221","0.012","90","","110.208","0.018","90","","655.9","0.9","293.1","","293.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 F2 S4 -","- C14 H4 F2.06 S4 -","- C28 H8 F4.12 S8 -","2","0.5","","Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko","Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.","Physical chemistry chemical physics : PCCP","2011","13","32","14370","14377","10.1039/c1cp21507h","","","0.7107","MoKα","","","0.054","","","","0.1087","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206443","10.701","0.01","15.76","0.02","6.242","0.009","91.27","0.07","91.08","0.05","86.64","0.05","1050","2","293.1","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 S4 -","- C22 H24 S4 -","- C44 H48 S8 -","2","1","","Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko","Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.","Physical chemistry chemical physics : PCCP","2011","13","32","14370","14377","10.1039/c1cp21507h","","","0.7107","MoKα","","","0.063","","","","0.1439","","","","","","2.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206444","18.922","0.007","17.118","0.009","6.284","0.003","90","","94.23","0.03","90","","2029.9","1.6","293.1","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 S6 -","- C16 H18 S6.6 -","- C64 H72 S26.4 -","4","1","","Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko","Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.","Physical chemistry chemical physics : PCCP","2011","13","32","14370","14377","10.1039/c1cp21507h","","","0.71069","MoKα","","","0.0736","","","","0.1815","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206445","9.163","0.003","15.148","0.005","29.339","0.009","90","","90","","90","","4072","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H27 Cl3 N4 O2 Pd -","- C15 H23 Cl3 N4 O2 Pd -","- C120 H184 Cl24 N32 O16 Pd8 -","8","1","","Zhou, Chunshan; Wang, Jinyun; Li, Liuyi; Wang, Ruihu; Hong, Maochun","A palladium chelating complex of ionic water-soluble nitrogen-containing ligand: the efficient precatalyst for Suzuki‒Miyaura reaction in water","Green Chemistry","2011","13","8","2100","","10.1039/c1gc15060j","","","0.71073","MoKα","","0.0436","0.0335","","","0.0973","0.1214","","","","","","1.156","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206446","13.4701","0.0015","3.835","0.0005","25.5","0.002","90","","117.94","0.002","90","","1163.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 Cl N2 O -","- C15 H7 Cl N2 O -","- C60 H28 Cl4 N8 O4 -","4","1","","Cheng, Chuang; Jiang, Bo; Tu, Shu-Jiang; Li, Guigen","[4+2+1] Domino cyclization in water for chemo- and regioselective synthesis of spiro-substituted benzo[b]furo[3,4-e][1,4]diazepine derivatives","Green Chemistry","2011","13","8","2107","","10.1039/c1gc15183e","","","0.71073","MoKα","","0.1814","0.1056","","","0.2202","0.2515","","","","","","1.084","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206447","14.9522","0.0015","18.8553","0.0019","7.6472","0.0006","90","","102.114","0.002","90","","2108","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O9 -","- C22 H19 N O9 -","- C88 H76 N4 O36 -","4","1","","Cheng, Chuang; Jiang, Bo; Tu, Shu-Jiang; Li, Guigen","[4+2+1] Domino cyclization in water for chemo- and regioselective synthesis of spiro-substituted benzo[b]furo[3,4-e][1,4]diazepine derivatives","Green Chemistry","2011","13","8","2107","","10.1039/c1gc15183e","","","0.71073","MoKα","","0.1682","0.0583","","","0.0681","0.0812","","","","","","1.014","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206448","14.9192","0.0014","8.4607","0.0008","34.445","0.003","90","","102.271","0.002","90","","4248.5","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 N8 O24 P4 Zn3 -","- C24 H60 N8 O24 P4 Zn3 -","- C96 H240 N32 O96 P16 Zn12 -","4","0.5","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0618","0.0573","","","0.1422","0.1446","","","","","","1.21","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206449","15.0025","0.0005","8.6854","0.0003","30.5449","0.0011","90","","97.181","0.001","90","","3948.9","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H52 N8 O22 P4 Zn3 -","- C20 H47 N8 O22 P4 Zn3 -","- C80 H188 N32 O88 P16 Zn12 -","4","0.5","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0617","0.0342","","","0.0623","0.0673","","","","","","0.836","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206450","9.974","0.0005","9.1804","0.0005","27.5385","0.0017","90","","90","","90","","2521.6","0.2","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H22 N2 O12 P2 Zn2 -","- C21 H22 N2 O12 P2 Zn2 -","- C84 H88 N8 O48 P8 Zn8 -","4","1","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0836","0.0537","","","0.108","0.1146","","","","","","1.042","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206451","27.6213","0.0012","9.1189","0.0004","9.9954","0.0005","90","","92.211","0.001","90","","2515.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O12 P2 Zn2 -","- C21 H21 N2 O12 P2 Zn2 -","- C84 H84 N8 O48 P8 Zn8 -","4","1","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0623","0.0513","","","0.1324","0.1361","","","","","","1.191","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206452","10.8928","0.0002","8.7917","0.0001","27.7665","0.0004","90","","101.051","0.001","90","","2609.79","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 N2 O12 P2 Zn2 -","- C21 H34 N2 O12 P2 Zn2 -","- C84 H136 N8 O48 P8 Zn8 -","4","1","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0529","0.036","","","0.0786","0.0949","","","","","","1.055","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206453","6.4801","0.0002","15.4593","0.0008","19.1885","0.0009","90","","90","","90","","1922.26","0.15","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","El Asri, Zhor; Génisson, Yves; Guillen, Frédéric; Baslé, Olivier; Isambert, Nicolas; del Mar Sanchez Duque, Maria; Ladeira, Sonia; Rodriguez, Jean; Constantieux, Thierry; Plaquevent, Jean-Christophe","Multicomponent reactions in ionic liquids: convenient and ecocompatible access to the 2,6-DABCO core","Green Chemistry","2011","13","9","2549","","10.1039/c1gc15635g","","x-ray","0.71073","MoKα","","0.0457","0.0342","","","0.0731","0.0778","","","","","","1.025","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206454","13.9545","0.0014","7.8076","0.0008","19.5196","0.0019","90","","109.685","0.001","90","","2002.4","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O2 Pt -","- C26 H19 N O2 Pt -","- C104 H76 N4 O8 Pt4 -","4","1","","Mou, Xin; Wu, Yongquan; Liu, Shujuan; Shi, Mei; Liu, Xiangmei; Wang, Chuanming; Sun, Shi; Zhao, Qiang; Zhou, Xinhui; Huang, Wei","Phosphorescent platinum(ii) complexes containing different β-diketonate ligands: synthesis, tunable excited-state properties, and their application in bioimaging","Journal of Materials Chemistry","2011","21","36","13951","","10.1039/c1jm10718f","","","0.71073","MoKα","","0.052","0.0435","","","0.1018","0.113","","","","","","1.017","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206455","13.0708","0.0013","13.4331","0.0013","26.062","0.003","93.161","0.001","98.284","0.001","117.916","0.001","3961.8","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H118 N2 O12 -","- C86 H118 N2 O12 -","- C172 H236 N4 O24 -","2","1","","Liang, Qing; Chen, Guosong; Guan, Bing; Jiang, Ming","Structural factors of amphiphilic calix[6]biscrowns affecting their vesicle‒nanotube transitions in self-assembly","Journal of Materials Chemistry","2011","21","35","13262","","10.1039/c1jm10895f","","","0.71073","MoKα","","0.0752","0.0595","","","0.1791","0.2039","","","","","","1.023","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206456","12.992","0.003","13.924","0.003","18.886","0.004","95.33","0.03","91.63","0.03","92.2","0.03","3397.4","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N3 O2 Pd -","- C37 H43 N3 O2 Pd -","- C148 H172 N12 O8 Pd4 -","4","2","","Ghedini, Mauro; Golemme, Attilio; Aiello, Iolinda; Godbert, Nicolas; Termine, Roberto; Crispini, Alessandra; La Deda, Massimo; Lelj, Francesco; Amati, Mario; Belviso, Sandra","Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes","Journal of Materials Chemistry","2011","21","35","13434","","10.1039/c1jm11926e","","","0.71073","MoKα","","0.0743","0.04","","","0.0914","0.1013","","","","","","0.897","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206457","12.833","0.007","13.736","0.007","20.058","0.011","101.049","0.011","107.842","0.01","90.996","0.01","3292","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N3 O2 Pt -","- C37 H43 N3 O2 Pt -","- C148 H172 N12 O8 Pt4 -","4","2","","Ghedini, Mauro; Golemme, Attilio; Aiello, Iolinda; Godbert, Nicolas; Termine, Roberto; Crispini, Alessandra; La Deda, Massimo; Lelj, Francesco; Amati, Mario; Belviso, Sandra","Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes","Journal of Materials Chemistry","2011","21","35","13434","","10.1039/c1jm11926e","","","0.71073","MoKα","","0.0502","0.0295","","","0.066","0.0766","","","","","","1.031","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206458","5.9863","0.0004","8.2081","0.0007","32.135","0.003","94.509","0.004","92.828","0.004","92.317","0.004","1570.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N2 O2 Pd -","- C36 H42 N2 O2 Pd -","- C72 H84 N4 O4 Pd2 -","2","1","","Ghedini, Mauro; Golemme, Attilio; Aiello, Iolinda; Godbert, Nicolas; Termine, Roberto; Crispini, Alessandra; La Deda, Massimo; Lelj, Francesco; Amati, Mario; Belviso, Sandra","Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes","Journal of Materials Chemistry","2011","21","35","13434","","10.1039/c1jm11926e","","","0.71073","MoKα","","0.0516","0.0366","","","0.0848","0.1014","","","","","","1.154","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206459","6.0027","0.0004","8.1666","0.0005","32.286","0.002","94.534","0.002","93.089","0.002","92.243","0.002","1573.97","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N2 O2 Pt -","- C36 H42 N2 O2 Pt -","- C72 H84 N4 O4 Pt2 -","2","1","","Ghedini, Mauro; Golemme, Attilio; Aiello, Iolinda; Godbert, Nicolas; Termine, Roberto; Crispini, Alessandra; La Deda, Massimo; Lelj, Francesco; Amati, Mario; Belviso, Sandra","Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes","Journal of Materials Chemistry","2011","21","35","13434","","10.1039/c1jm11926e","","","0.71073","MoKα","","0.0342","0.0335","","","0.0695","0.0697","","","","","","1.44","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206460","4.6471","0.0008","20.92","0.003","10.636","0.0018","90","","92.743","0.003","90","","1032.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Br N3 S2 -","- C9 H4 Br N3 S2 -","- C36 H16 Br4 N12 S8 -","4","1","","Welch, Gregory C.; Perez, Louis A.; Hoven, Corey V.; Zhang, Yuan; Dang, Xuan-Dung; Sharenko, Alexander; Toney, Michael F.; Kramer, Edward J.; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","A modular molecular framework for utility in small-molecule solution-processed organic photovoltaic devices","Journal of Materials Chemistry","2011","21","34","12700","","10.1039/c1jm11963j","","","0.71073","MoKα","","0.0703","0.0412","","","0.096","0.1047","","","","","","0.945","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206461","18.817","0.004","7.9805","0.0017","28.301","0.006","90","","107.018","0.003","90","","4063.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 N6 S6 Si -","- C42 H44 N6 S6 Si -","- C168 H176 N24 S24 Si4 -","4","1","","Welch, Gregory C.; Perez, Louis A.; Hoven, Corey V.; Zhang, Yuan; Dang, Xuan-Dung; Sharenko, Alexander; Toney, Michael F.; Kramer, Edward J.; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","A modular molecular framework for utility in small-molecule solution-processed organic photovoltaic devices","Journal of Materials Chemistry","2011","21","34","12700","","10.1039/c1jm11963j","","","0.71073","MoKα","","0.137","0.0841","","","0.1942","0.2111","","","","","","1.664","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206462","6.177","0.002","7.001","0.003","28.415","0.01","90","","94.4","0.03","90","","1225.2","0.8","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H10 Cl N O3 -","- C14 H10 Cl N O3 -","- C56 H40 Cl4 N4 O12 -","4","0.5","","Song, Panshu; Chen, Xiaotong; Xiang, Yu; Huang, Lei; Zhou, Zhaojuan; Wei, Ruirui; Tong, Aijun","A ratiometric fluorescent pH probe based on aggregation-induced emission enhancement and its application in live-cell imaging","Journal of Materials Chemistry","2011","21","35","13470","","10.1039/c1jm12098k","","","0.71073","MoKα","","0.1925","0.0808","","","0.1405","0.1787","","","","","","1.093","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206463","12.4255","0.0008","14.4075","0.0008","13.4165","0.0007","90","","107.989","0.001","90","","2284.4","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl F N5 O S -","- C24 H19 Cl F N5 O S -","- C96 H76 Cl4 F4 N20 O4 S4 -","4","1","","Guo, Jixi; Jia, Dianzeng; Liu, Lang; Yuan, Hui; Guo, Mingxi; Wu, Dongling; Li, Feng","Photochromism and mechanism of pyrazolones in crystals: structural variations directly observed by X-ray diffraction","Journal of Materials Chemistry","2011","21","33","12202","","10.1039/c1jm12267c","","","0.71073","MoKα","","0.1091","0.0699","","","0.1843","0.2482","","","","","","1.086","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206464","12.4127","0.0016","14.397","0.0018","13.3934","0.0014","90","","108.02","0.002","90","","2276.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl F N5 O S -","- C24 H19 Cl F N5 O S -","- C96 H76 Cl4 F4 N20 O4 S4 -","4","1","","Guo, Jixi; Jia, Dianzeng; Liu, Lang; Yuan, Hui; Guo, Mingxi; Wu, Dongling; Li, Feng","Photochromism and mechanism of pyrazolones in crystals: structural variations directly observed by X-ray diffraction","Journal of Materials Chemistry","2011","21","33","12202","","10.1039/c1jm12267c","","","0.71073","MoKα","","0.0949","0.0667","","","0.1948","0.2285","","","","","","1.074","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206465","7.759","0.005","23.455","0.005","13.184","0.005","90","0.005","97.128","0.005","90","0.005","2380.8","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H11 Ag N5 O3.5 -","- C8.5 H10 Ag N5 O3.5 -","- C68 H80 Ag8 N40 O28 -","8","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0603","0.0411","","","0.1155","0.1217","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206466","14.335","0.005","14.335","0.005","12.058","0.005","90","","90","","90","","2477.8","1.6","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C4.25 H5 Ag Br N2 -","- C4.25 H5 Ag Br N2 -","- C68 H80 Ag16 Br16 N32 -","16","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71069","MoKα","","0.0395","0.0271","","","0.061","0.0628","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206467","19.3312","0.0014","27.3761","0.0014","13.1924","0.0009","90","","114.059","0.009","90","","6375.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H34.5 Ag2 N8 O10.25 -","- C21 H20 Ag2 N8 O10.25 -","- C168 H160 Ag16 N64 O82 -","8","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.207","0.0616","","","0.1408","0.169","","","","","","0.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206468","11.468","0.005","11.741","0.005","12.142","0.005","85.682","0.005","65.808","0.005","77.33","0.005","1454.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Ag2 N8 O8 -","- C25 H32 Ag2 N8 O8 -","- C50 H64 Ag4 N16 O16 -","2","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0547","0.0376","","","0.0939","0.099","","","","","","1.024","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206469","11.406","0.005","17.637","0.005","16.979","0.005","90","0.005","106.836","0.005","90","0.005","3269","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Ag2 N8 O11.5 -","- C25 H35 Ag2 N8 O11.5 -","- C100 H140 Ag8 N32 O46 -","4","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0713","0.0385","","","0.0898","0.0971","","","","","","0.904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206470","3.8494","0.0019","3.8494","0.0019","4.894","0.005","90","","90","","90","","72.52","0.09","296","2","296","2","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","","","- O Sn -","- O Sn -","- O2 Sn2 -","2","0.125","","Guo, Y. Q.; Tan, R. Q.; Li, X.; Zhao, J. H.; Luo, Z. L.; Gao, C.; Song, W. J.","Shape-controlled growth and single-crystal XRD study of submillimeter-sized single crystals of SnO","CrystEngComm","2011","13","19","5677","","10.1039/c0ce00949k","","","0.71073","MoKα","","0.0449","0.0449","","","0.0966","0.0966","","","","","","1.407","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206471","11.264","0.004","6.189","0.002","17.301","0.006","90","","102.785","0.007","90","","1176.2","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 Br N O -","- C27 H34 Br N O -","- C54 H68 Br2 N2 O2 -","2","1","","Sui, Yan; Liu, Dong-Sheng; Hu, Rong-Hua; Chen, Hong-Mei","Discovery of a new type of organic ferroelectric materials in natural biomass dehydroabietylamine Schiff bases","Journal of Materials Chemistry","2011","21","38","14599","","10.1039/c0jm03461d","","","0.71073","MoKα","","0.0875","0.0526","","","0.1142","0.1191","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206472","11.158","0.0017","6.2046","0.001","17.347","0.003","90","","101.49","0.003","90","","1176.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O3 -","- C27 H34 N2 O3 -","- C54 H68 N4 O6 -","2","1","","Sui, Yan; Liu, Dong-Sheng; Hu, Rong-Hua; Chen, Hong-Mei","Discovery of a new type of organic ferroelectric materials in natural biomass dehydroabietylamine Schiff bases","Journal of Materials Chemistry","2011","21","38","14599","","10.1039/c0jm03461d","","","0.71073","MoKα","","0.1393","0.047","","","0.0867","0.0986","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206473","8.0956","0.0002","9.4197","0.0002","24.9028","0.0006","100.218","0.0019","94.2642","0.0018","94.0046","0.0018","1857.07","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H36 Cu6 I9 N3 -","- C12 H36 Cu6 I9 N3 -","- C24 H72 Cu12 I18 N6 -","2","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0561","0.0465","","","0.136","0.1385","","","","2.07","2.07","1.94","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206474","17.7014","0.0004","11.4494","0.0003","10.9541","0.0006","90","","90","","90","","2220.07","0.14","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H28 Cu3 I4 N -","- C12 H28 Cu3 I4 N -","- C48 H112 Cu12 I16 N4 -","4","0.5","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0789","0.0388","","","0.0819","0.0946","","","","1.08","1.08","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206475","24.8265","0.0004","24.8265","0.0004","55.983","0.008","90","","102.811","","90","","33646","5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C217.5 Cu26 I40 N14 -","- C217.5 Cu26 I40 N14 -","- C870 Cu104 I160 N56 -","4","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.1254","0.0913","","","0.0947","0.0963","","","","3.16","3.16","2.61","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206476","12.5384","0.0001","24.4794","0.0004","14.7686","0.0002","90","","110.433","0.0015","90","","4247.76","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H132 Cu6 I9 N3 -","- C60 H132 Cu6 I9 N3 -","- C120 H264 Cu12 I18 N6 -","2","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0324","0.0324","","","0.0641","0.0649","","","","0.74","0.74","0.74","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206477","19.5502","0.0003","18.6851","0.0003","28.3015","0.0006","90","","91.4321","0.0015","90","","10335.2","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H312 Cu17 I23 N6 -","- C80 Cu17 I23 N6 -","- C160 Cu34 I46 N12 -","2","0.5","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.2161","0.0881","","","0.1992","0.2155","","","","2.88","2.88","1.81","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206478","11.7445","0.0006","20.9082","0.001","29.5195","0.0019","90","","97.908","0.005","90","","7179.8","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.744 H92.435 Cu4 I6 N2 -","- C56 H90 Cu4 I6 N2 -","- C224 H360 Cu16 I24 N8 -","4","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.3622","0.0585","","","0.1071","0.2141","","","","1.02","1.02","0.81","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206479","14.1659","0.0004","15.115","0.0004","15.5887","0.0004","73.08","0.001","64.458","0.001","88.402","0.002","2862.77","0.14","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","1","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.0597","0.0387","","0.0809","0.0403","0.0386","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206480","23.3664","0.0008","37.452","0.002","12.1573","0.0008","90","","105.626","0.006","90","","10245.9","1","180","","180","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C85 H108 K2 Mo N17 Ni3 O14 S6 -","- C85 H104 K2 Mo N17 Ni3 O14 S6 -","- C340 H416 K8 Mo4 N68 Ni12 O56 S24 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.1509","0.062","","0.1563","0.0641","0.0653","","","","","","1.0872","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7206481","23.4893","0.0011","33.2913","0.0015","15.1039","0.0006","90","","116.265","0.002","90","","10591.7","0.8","180","","180","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H116 Mo N15 Na2 Ni4 O16 S6 -","- C98 H116 Mo N15 Na2 Ni4 O16 S6 -","- C392 H464 Mo4 N60 Na8 Ni16 O64 S24 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.0766","0.04","","0.083","0.0414","0.0392","","","","","","1.0906","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7206482","7.403","0.0005","16.486","0.001","18.0343","0.0011","90","","90","","90","","2201","0.2","180","","180","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H24 Cu K N3 O4 S -","- C22 H24 Cu K N3 O4 S -","- C88 H96 Cu4 K4 N12 O16 S4 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.045","0.0317","","0.0459","0.0385","0.0373","","","","","","1.0364","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206483","18.19","0.009","18.19","0.009","11.78","0.005","90","","90","","120","","3376","3","110","","110","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C40 H47 K N4 Ni2 O10 -","- C40 H44 K N4 Ni2 O10 -","- C120 H132 K3 N12 Ni6 O30 -","3","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.1189","0.0862","","0.1274","0.0892","0.0859","","","","","","1.0524","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206484","19.772","0.004","9.997","0.002","23.51","0.005","90","","105.5","0.03","90","","4478","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 Cd N6 O6 -","- C21 H25 Cd N6 O6 -","- C168 H200 Cd8 N48 O48 -","8","1","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0458","0.0402","","","0.1111","0.115","","","","","","1.171","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206485","10.233","0.002","14.009","0.003","14.022","0.003","67.35","0.03","84.67","0.03","71.07","0.03","1753.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cd N9 O8 -","- C33 H38 Cd N9 O8 -","- C66 H76 Cd2 N18 O16 -","2","1","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0574","0.0508","","","0.1305","0.1357","","","","","","1.113","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206486","16.654","0.003","14.174","0.003","11.524","0.002","90","","90","","90","","2720.3","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H28 Co N6 O8 -","- C25 H28 Co N6 O8 -","- C100 H112 Co4 N24 O32 -","4","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0575","0.0545","","","0.112","0.1136","","","","","","1.218","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206487","4.9675","0.001","9.4623","0.0019","11.725","0.002","89.81","0.03","89.29","0.03","79.03","0.03","541.01","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Co N6 O4 -","- C24 H24 Co N6 O4 -","- C24 H24 Co N6 O4 -","1","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0757","0.0721","","","0.2002","0.2034","","","","","","1.182","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206488","4.4497","0.0009","8.131","0.0016","21.526","0.005","90","","101.42","0.03","90","","763.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 -","- C16 H20 N6 -","- C32 H40 N12 -","2","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0896","0.0738","","","0.2176","0.2396","","","","","","1.19","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206489","19.7268","0.0004","8.3772","0.0002","10.1372","0.0002","90","","98.644","0.002","90","","1656.2","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(cyclopentylidene)isonicotinohydrazide) .(3-hydroxybenzoic acid)","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0455","0.0333","","","0.0834","0.0855","","","","","","0.975","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206490","21.3902","0.0015","7.8621","0.0005","11.2995","0.0007","90","","97.986","0.003","90","","1881.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(cyclooctylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0506","0.0459","","","0.1286","0.1329","","","","","","1.048","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206491","24.467","0.0016","7.3712","0.0005","10.8211","0.0006","90","","99.666","0.006","90","","1923.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(1-p-tolylethylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0583","0.0527","","","0.1515","0.1631","","","","","","0.722","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206492","9.8338","0.0009","10.2475","0.0009","10.8863","0.001","104.295","0.008","112.784","0.008","103.37","0.008","912.17","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(N'-(diphenylmethylene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C45 H36 N6 O5 -","- C45 H36 N6 O5 -","- C45 H36 N6 O5 -","1","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0616","0.0568","","","0.1575","0.1618","","","","","","1.044","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206493","6.3511","0.0006","10.5853","0.0008","12.8026","0.0012","75.694","0.007","78.613","0.008","81.087","0.007","812.47","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(propan-2-ylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C16 H19 N3 O5 -","- C16 H19 N3 O5 -","- C32 H38 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0584","0.0335","","","0.0703","0.0741","","","","","","0.832","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206494","6.3699","0.0002","10.9498","0.0003","12.812","0.0003","81.009","0.001","80.566","0.001","83.859","0.001","867.67","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(butan-2-ylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C34 H42 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0498","0.0408","","","0.1075","0.1144","","","","","","1.059","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206495","6.3632","0.0006","10.8918","0.001","13.3842","0.0012","87.434","0.007","80.241","0.008","83.083","0.008","907.26","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(N'-(cyclohexylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C38 H46 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0557","0.0487","","","0.1289","0.1338","","","","","","1.002","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206496","6.3127","0.0004","11.4293","0.0006","26.1598","0.0015","90","","91.109","0.005","90","","1887.07","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N'-(cycloheptylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C80 H100 N12 O20 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0515","0.0453","","","0.1217","0.1257","","","","","","0.984","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206497","6.1506","0.0005","10.5426","0.0006","16.2041","0.0012","73.603","0.006","90.403","0.006","79.32","0.006","988.57","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(4-methylbenzylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C42 H42 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0583","0.0501","","","0.137","0.143","","","","","","1.016","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206498","21.9371","0.0008","21.9371","0.0008","21.9371","0.0008","90","","90","","90","","10556.9","0.7","293","2","293","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C36 H40 Mn2 N6 Na O22.5 S6 -","- C36 H18 Mn2 N6 Na O22.5 S6 -","- C288 H144 Mn16 N48 Na8 O180 S48 -","8","0.166667","","Yuan, Ning; Sheng, Tianlu; Zhang, Jian; Tian, Chongbin; Hu, Shengmin; Huang, Xihe; Wang, Fei; Wu, Xintao","A disulfide ligand with axial chirality generated in situ for the construction of an unusual hxg topological coordination polymer","CrystEngComm","2011","13","19","5951","","10.1039/c1ce05154g","","","0.71073","MoKα","","0.079","0.076","","","0.2489","0.2551","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206499","7.0908","0.0005","10.8703","0.0008","26.4114","0.0017","90","","97.608","0.001","90","","2017.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O7 Pb S -","- C20 H12 N2 O7 Pb S -","- C80 H48 N8 O28 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0491","0.0315","","","0.0583","0.0646","","","","","","0.99","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206500","7.316","0.0014","10.8418","0.0014","12.355","0.003","80.397","0.003","87.938","0.002","83.928","0.002","960.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 N2 O9 Pb S -","- C18 H16 N2 O9 Pb S -","- C36 H32 N4 O18 Pb2 S2 -","2","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0455","0.0375","","","0.0774","0.0819","","","","","","1.04","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206501","19.2816","0.0015","6.9457","0.0006","14.1263","0.0012","90","","100.807","0.002","90","","1858.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O8 Pb S -","- C18 H14 N2 O8 Pb S -","- C72 H56 N8 O32 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.065","0.0412","","","0.072","0.0795","","","","","","0.975","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206502","11.9149","0.0014","7.2161","0.0008","12.6352","0.0014","90","","103.615","0.002","90","","1055.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 O8 Pb S -","- C8 H6 O8 Pb S -","- C32 H24 O32 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0461","0.0299","","","0.0589","0.0648","","","","","","0.966","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206503","6.9683","0.0012","7.5316","0.0012","30.887","0.005","85.113","0.003","84.509","0.003","63.01","0.002","1436.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O15 Pb3 S2 -","- C26 H16 N2 O15 Pb3 S2 -","- C52 H32 N4 O30 Pb6 S4 -","2","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0679","0.0526","","","0.124","0.1341","","","","","","0.997","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206504","7.3119","0.0008","22.365","0.003","7.5899","0.0008","90","","111.923","0.002","90","","1151.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 O8 Pb2 S -","- C8 H4 O8 Pb2 S -","- C32 H16 O32 Pb8 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0632","0.0422","","","0.0875","0.0984","","","","","","0.991","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206505","16.955","0.001","8.2338","0.0006","13.63","0.001","90","","108.551","0.007","90","","1803.9","0.2","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Co N6 O2 S2 -","- C14 H12 Co N6 O2 S2 -","- C56 H48 Co4 N24 O8 S8 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0473","0.0293","","","0.0761","0.0856","","","","","","1.041","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206506","6.5705","0.0006","7.353","0.0007","9.6541","0.0008","96.773","0.007","92.797","0.007","109.334","0.008","435.12","0.07","296","","296","","","","","","","","see text","6","P -1","-P 1","2","","","","- C14 H12 Cu N6 O2 S2 -","- C14 H12 Cu N6 O2 S2 -","- C14 H12 Cu N6 O2 S2 -","1","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0287","0.0252","","","0.071","0.075","","","","","","1.055","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206507","16.9021","0.0003","8.2084","0.0002","13.5353","0.0003","90","","108.613","0.002","90","","1779.66","0.07","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N6 Ni O2 S2 -","- C14 H12 N6 Ni O2 S2 -","- C56 H48 N24 Ni4 O8 S8 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0554","0.034","","","0.0648","0.0749","","","","","","1.054","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206508","12.735","0.003","20.53","0.004","18.882","0.004","90","","90","","90","","4936.7","1.8","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H58 F18 N5 O4 P3 -","- C42 H58 F18 N5 O4 P3 -","- C168 H232 F72 N20 O16 P12 -","4","1","","Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping","Inclusion of unique four-clawed crown-like nitrate‒water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H‒bonded cationic net formed by a cationic calix[4]arene","CrystEngComm","2011","13","19","5718","","10.1039/c1ce05377a","","","0.71073","MoKα","","0.1001","0.0843","","","0.1944","0.208","","","","","","1.1","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206509","13.498","0.003","13.84","0.003","13.99","0.003","92.13","0.03","105.5","0.03","101.33","0.03","2458.2","1.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H67 N9 O16 -","- C44 H67 N9 O16 -","- C88 H134 N18 O32 -","2","1","","Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping","Inclusion of unique four-clawed crown-like nitrate‒water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H‒bonded cationic net formed by a cationic calix[4]arene","CrystEngComm","2011","13","19","5718","","10.1039/c1ce05377a","","","0.71073","MoKα","","0.1181","0.0716","","","0.1772","0.2045","","","","","","1.061","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206510","10.4135","0.0005","25.2037","0.0013","19.5818","0.0011","90","","90","","90","","5139.4","0.5","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C36 H64 Cu N10 O26 -","- C36 H62 Cu N10 O26 -","- C144 H248 Cu4 N40 O104 -","4","0.25","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0495","0.0372","","","0.0954","0.1028","","","","","","1.079","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206511","15.84","0.02","24.75","0.02","7.724","0.008","90","","92.88","0.02","90","","3024","6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H42 Cl4 N8 O13 Zn2 -","- C32 H40 Cl4 N8 O13 Zn2 -","- C64 H80 Cl8 N16 O26 Zn4 -","2","0.25","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0507","0.041","","","0.1282","0.1357","","","","","","0.809","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206512","7.8072","0.0018","10.931","0.003","13.796","0.003","78.771","0.004","78.627","0.003","87.263","0.004","1132.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Br4 N8 O10.5 Zn2 -","- C32 H37 Br4 N8 O10.5 Zn2 -","- C32 H37 Br4 N8 O10.5 Zn2 -","1","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0516","0.0351","","","0.0847","0.0905","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206513","5.1577","0.0012","21.085","0.005","21.538","0.005","90","","95.032","0.004","90","","2333.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Br4 N8 O12 Zn2 -","- C36 H44 Br4 N8 O12 Zn2 -","- C72 H88 Br8 N16 O24 Zn4 -","2","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0799","0.0444","","","0.0978","0.1054","","","","","","0.89","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206514","18.484","0.005","11.438","0.003","9.597","0.003","90","","90","","90","","2029","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H16 Br2 N4 O4 Zn -","- C15 H16 Br2 N4 O4 Zn -","- C60 H64 Br8 N16 O16 Zn4 -","4","1","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.1074","0.0595","","","0.1367","0.1605","","","","","","1.003","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206515","12.136","0.01","10.495","0.008","16.018","0.013","90","","98.568","0.009","90","","2017","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Br2 N4 O4 Zn -","- C16 H18 Br2 N4 O4 Zn -","- C64 H72 Br8 N16 O16 Zn4 -","4","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0477","0.0325","","","0.081","0.0866","","","","","","1.042","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206516","14.0471","0.0012","5.3712","0.0004","8.5718","0.0008","90","","106.483","0.003","90","","620.16","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hydroxybenzylalcohol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.0679","0.0383","","","0.0772","0.0865","","","","","","0.917","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206517","8.1989","0.0012","11.5438","0.0018","14.516","0.002","113.323","0.005","90","","90","","1261.6","0.3","293","2","293","2","","","","","","","","3","P 21/b 1 1","-P 2xab","14","3-hydroxybenzylalcohol Form I","3-hydroxybenzylalcohol Form I","","- C7 H8 O2 -","- C7 H8 O2 -","- C56 H64 O16 -","8","2","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.1159","0.0504","","","0.1037","0.1215","","","","","","0.957","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206518","8.1867","0.0011","17.19","0.002","13.7935","0.0018","90","","101.432","0.002","90","","1902.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-hydroxybenzylalcohol Z' = 3","","- C7 H8 O2 -","- C7 H8 O2 -","- C84 H96 O24 -","12","3","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.0614","0.0382","","","0.0963","0.1113","","","","","","1.002","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206519","9.448","0.007","10.894","0.008","5.873","0.004","90","","90","","90","","604.5","0.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-hydroxybenzylalcohol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.062","0.0443","","","0.118","0.13","","","","","","1.048","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206520","10.434","0.0003","6.7029","0.0002","20.4814","0.0006","90","","103.747","0.002","90","","1391.4","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0873","0.0645","","","0.1711","0.1867","","","","","","1.062","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7206521","13.0921","0.0003","8.7487","0.0002","13.6578","0.0004","90","","118.265","0.001","90","","1377.83","0.06","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1128","0.0863","","","0.1776","0.1924","","","","","","1.099","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206522","9.7297","0.0002","12.8208","0.0002","11.5304","0.0002","90","","104.902","0.001","90","","1389.96","0.04","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0718","0.0596","","","0.1398","0.1476","","","","","","1.063","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206523","7.2182","0.0002","19.7365","0.0004","11.3467","0.0003","90","","90.404","0.001","90","","1616.43","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21 1","P 2yb","4","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C48 H76 B40 N4 O4 -","4","2","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0619","0.054","","","0.1172","0.1231","","","","","","1.157","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206524","25.8502","0.0004","9.7968","0.0002","12.8393","0.0002","90","","96.41","0.001","90","","3231.22","0.1","120","2","120","2","","","","","","","Jose Giner Planas","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C96 H152 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0669","0.0553","","","0.1406","0.1516","","","","","","0.998","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206525","9.8268","0.0002","13.4445","0.0004","11.3957","0.0003","90","","105.64","0.002","90","","1449.82","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","TPMec018_I","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C36 H76 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.088","0.064","","","0.1541","0.1729","","","","","","1.057","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206526","11.6364","0.0016","11.4228","0.0016","13.1428","0.0014","90","","105.666","0.012","90","","1682","0.4","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 B10 N O -","- C13 H21 B10 N O -","- C52 H84 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1483","0.0989","","","0.2428","0.2752","","","","","","1.063","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206527","10.4622","0.0002","10.4196","0.0003","30.6975","0.0009","90","","90","","90","","3346.39","0.15","120","2","120","2","","","","","","","Jose Giner Planas","5","P b c a","-P 2ac 2ab","61","CQMec020","","","- C13 H21 B10 N O -","- C13 H21 B10 N O -","- C104 H168 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1111","0.066","","","0.1585","0.1813","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206528","21.1947","0.0007","7.1376","0.0002","19.7547","0.0006","90","","92.129","0.002","90","","2986.41","0.16","120","2","120","2","","","","","","","Jose Giner Planas","5","C 1 2/c 1","-C 2yc","15","SPCB022","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C72 H152 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0774","0.0583","","","0.1584","0.1715","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206529","5.441","0.0002","12.226","0.0004","21.705","0.0007","90","","101.04","0.002","90","","1417.13","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ticlopidine hydrochloride form II","5-[(2-Chlorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride","","- C14 H15 Cl2 N S -","- C14 H15 Cl2 N S -","- C56 H60 Cl8 N4 S4 -","4","1","","Martins, Felipe T.; deLima, Patrícia V.; Azarias, Lilian C.; de Abreu, Polyana J.; Neves, Person P.; Legendre, Alexandre O.; de Andrade, Fabiano M.; de Oliveira, Guilherme R.; Ellena, Javier; Doriguetto, Antônio C.","Increasing the symmetry of drug crystals: a monoclinic conformational polymorph of the platelet antiaggregating agent ticlopidine hydrochloride","CrystEngComm","2011","13","19","5737","","10.1039/c1ce05453h","","","0.71073","MoKα","","0.0703","0.0533","","","0.1436","0.1624","","","","","","1.109","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206530","10.3604","0.0007","10.3604","0.0007","14.5059","0.001","90","","90","","90","","1557.03","0.18","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H13 Gd N O8.5 -","- C9 H3 Gd O7 -","- C36 H12 Gd4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0319","0.0285","","","0.0641","0.0653","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206531","10.3635","0.0007","10.3635","0.0007","13.8321","0.0018","90","","90","","90","","1485.6","0.2","473","2","473","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H3 Gd O6 -","- C9 H3 Gd O6 -","- C36 H12 Gd4 O24 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0479","0.0334","","","0.0691","0.0749","","","","","","1.054","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206532","10.3625","0.0007","10.3625","","13.8473","0.0019","90","","90","","90","","1486.9","0.2","473","2","473","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C9 H3 Gd O6 -","- C9 H3 Gd O6 -","- C36 H12 Gd4 O24 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0284","0.0224","","","0.0542","0.0575","","","","","","1.008","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206533","10.471","0.0015","10.471","0.0015","14.645","0.004","90","","90","","90","","1605.7","0.5","273","2","273","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H15 Gd O12 -","- C9 H3 Gd O12 -","- C36 H12 Gd4 O48 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.044","0.0356","","","0.0794","0.084","","","","","","0.973","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206534","10.3197","0.0004","10.3197","0.0004","14.0444","0.001","90","","90","","90","","1495.68","0.13","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0275","0.0256","","","0.0513","0.0519","","","","","","1.026","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206535","10.3008","0.0013","10.3008","0.0013","14.385","0.004","90","","90","","90","","1526.3","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0357","0.0329","","","0.0784","0.0798","","","","","","1.019","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206536","10.339","0.002","10.339","0.002","14.057","0.006","90","","90","","90","","1502.6","0.8","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0279","0.0272","","","0.0632","0.0636","","","","","","1.018","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206537","10.3159","0.0012","10.3159","0.0012","14.45","0.003","90","","90","","90","","1537.7","0.4","150","2","150","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0344","0.0325","","","0.089","0.0902","","","","","","0.994","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206538","10.3149","0.0014","10.3149","0.0014","14.339","0.004","90","","90","","90","","1525.6","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0379","0.0352","","","0.0828","0.0847","","","","","","1.068","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206539","5.18289","0.00048","11.194","0.0012","5.43875","0.00053","90","","90","","90","","315.54","0.05","315","","315","","11.75","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.32","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206540","5.13617","0.00071","11.1258","0.0019","5.41457","0.00076","90","","90","","90","","309.41","0.08","340","","340","","13.6","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.266","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206541","25.783","0.002","11.8912","0.0008","14.6506","0.0011","90","","90","","90","","4491.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","((CH3CH2)4N)3(Ag6Br5.61(CN)3.39)","[(CH3CH2)4N]3[Ag6Br5.61(CN)3.39]","","- C27.39 H60 Ag6 Br5.61 N6.39 -","- C27.3848 H60 Ag6 Br5.6152 N6.3848 -","- C109.539 H240 Ag24 Br22.4608 N25.5392 -","4","0.5","","Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun","Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties","CrystEngComm","2011","13","19","5724","","10.1039/c1ce05497j","","","0.71073","MoKα","","0.0598","0.0477","","","0.1441","0.1531","","","","","","1.05","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206542","24.6059","0.0016","24.6059","0.0016","24.6059","0.0016","90","","90","","90","","14897.6","1.7","293","2","293","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","((C3H7)N)3Ag8I7(CN)4","[(C3H7)N]3Ag8I7(CN)4","","- C40 H84 Ag8 I7 N7 -","- C40 H84 Ag8 I7 N7 -","- C320 H672 Ag64 I56 N56 -","8","0.0833333","","Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun","Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties","CrystEngComm","2011","13","19","5724","","10.1039/c1ce05497j","","","0.71073","MoKα","","0.0427","0.0278","","","0.0615","0.0662","","","","","","1.007","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206543","35.923","0.006","20.557","0.003","16.968","0.003","90","","90","","90","","12530","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H27 Fe N6 O6 -","- C39 H27 Fe N6 O6 -","- C468 H324 Fe12 N72 O72 -","12","1.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1312","0.0989","","0.2938","","0.265","","","1.03","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206544","13.246","0.014","22.9","0.02","17.291","0.018","90","","96.236","0.018","90","","5214","9","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H59 Ag B F4 Fe N6 O10 -","- C55 H59 Ag B F4 Fe N6 O10 -","- C220 H236 Ag4 B4 F16 Fe4 N24 O40 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.2417","0.1194","","0.3881","","0.3169","","","1.05","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206545","13.359","0.003","23.669","0.005","17.737","0.004","90","","97.697","0.002","90","","5558","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H59 Ag F6 Fe N6 O10 P -","- C55 H59 Ag F6 Fe N6 O10 P -","- C220 H236 Ag4 F24 Fe4 N24 O40 P4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.0748","0.0635","","0.1669","","0.1625","","","1.138","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206546","20.806","0.003","17.767","0.003","25.939","0.004","90","","98.751","0.002","90","","9477","3","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H27 Ag F3 Fe N6 O9 S -","- C40 H27 Ag F3 Fe N6 O9 S -","- C320 H216 Ag8 F24 Fe8 N48 O72 S8 -","8","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1507","0.0996","","0.3047","0.2708","","","","0.936","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206547","20.341","0.003","17.552","0.003","26.677","0.004","90","","93.888","0.002","90","","9502","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H54 Ag3 Fe2 N15 O21 -","- C78 H54 Ag3 Fe2 N15 O21 -","- C312 H216 Ag12 Fe8 N60 O84 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1308","0.0886","","0.2611","0.2328","","","","0.774","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206548","27.6841","0.0011","27.6841","0.0011","17.4801","0.0014","90","","90","","120","","11602.1","1.1","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C152 H116 Ag5 Fe3 N18 O33 S5 -","- C130.86 H81 Ag5 Fe3 N18 O23.94 S0.66 -","- C261.72 H162 Ag10 Fe6 N36 O47.88 S1.32 -","2","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.2368","0.1667","","0.455","","0.4279","","","1.429","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206549","13.2081","0.0006","22.073","0.001","18.8381","0.0009","90","","93.242","0.001","90","","5483.3","0.4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H86 Cl4 Fe3 N26 O20 S2 -","- C110 H82 Fe3 N26 O2 S2 -","- C220 H164 Fe6 N52 O4 S4 -","2","0.5","","Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars","Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons","CrystEngComm","2011","13","19","5813","","10.1039/c1ce05527e","","","0.71073","MoKα","","0.0661","0.048","","","0.1376","0.1472","","","","","","1.004","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206550","12.2473","0.0004","12.6914","0.0005","13.711","0.0005","79.294","0.001","74.263","0.001","69.511","0.001","1911.75","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H31 Cl2 Fe N8 O8.5 -","- C42 H29 Fe N8 -","- C84 H58 Fe2 N16 -","2","1","","Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars","Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons","CrystEngComm","2011","13","19","5813","","10.1039/c1ce05527e","","","0.71073","MoKα","","0.0655","0.0492","","","0.1282","0.1351","","","","","","1.012","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206551","29.713","0.011","17.135","0.007","15.277","0.006","90","","97.121","0.009","90","","7718","5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H79 Cd3 N7 O19 -","- C75 H79 Cd3 N7 O19 -","- C300 H316 Cd12 N28 O76 -","4","0.5","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.1124","0.0759","","","0.1924","0.2191","","","","","","1.069","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206552","9.1268","0.0002","26.2489","0.0007","15.3536","0.0004","90","","91.42","0.001","90","","3677.11","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H35.5 Cd N2.5 O9.5 -","- C38.5 H26 Cd N2.5 O9.5 -","- C154 H104 Cd4 N10 O38 -","4","1","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.064","0.0566","","","0.1731","0.1797","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206553","16.8416","0.0006","29.9444","0.0009","15.9876","0.0005","90","","98.076","0.001","90","","7982.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H99 Cd3 N7 O32 -","- C64 H38 Cd2 N2 O12 -","- C256 H152 Cd8 N8 O48 -","4","1","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.0693","0.0506","","","0.161","0.1775","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206554","28.055","0.01","17.775","0.006","18.682","0.007","90","","117.571","0.009","90","","8258","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cd3 N12 O18 -","- C84 H84 Cd3 N12 O18 -","- C336 H336 Cd12 N48 O72 -","4","0.5","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.1894","0.0721","","","0.1445","0.2044","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206555","25.762","0.003","11.0918","0.0013","30.006","0.004","90","","110.333","0.001","90","","8039.9","1.7","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H82 Co3 In6 N20 O S21 Sb6 -","- C20 H82 Co3 In6 N20 O S21 Sb6 -","- C80 H328 Co12 In24 N80 O4 S84 Sb24 -","4","0.5","","Zhou, Jian; An, Litao","A novel 3-D thioindate-thioantimonate based on the linkages of large heterometallic {In2Sb2S9} clusters and 1-D [In2Sb2S84−]n chains","CrystEngComm","2011","13","19","5924","","10.1039/c1ce05551h","","","0.71073","MoKα","","0.0427","0.037","","","0.1299","0.134","","","","","","1.152","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206556","31.93","0.008","6.041","0.002","7.424","0.001","90","","97.04","0.01","90","","1421.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","0.5","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0577","","","","0.1146","","","","","","1.108","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206557","6.4323","0.0009","7.278","0.001","22.578","0.004","90","","93.06","0.01","90","","1055.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 F10 N2 O2 -","- C24 H8 F10 N2 O2 -","- C48 H16 F20 N4 O4 -","2","0.5","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0554","","","","0.1339","","","","","","1.061","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206558","4.7787","0.0002","6.5029","0.0004","13.9073","0.0005","78.371","0.003","83.747","0.003","87.099","0.004","420.6","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","1","1","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0568","","","","0.1655","","","","","","1.049","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206559","14.463","0.002","4.8155","0.0007","14.291","0.002","90","","116.922","0.011","90","","887.5","0.2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C28 H40 N8 O24 -","4","0.5","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.0987","0.0457","","","0.0841","0.0989","","","","","","0.898","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206560","7.7075","0.0007","18.7331","0.0015","8.3841","0.0007","90","","105.034","0.007","90","","1169.11","0.18","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Ca N2 O8 -","- C7 H12 Ca N2 O8 -","- C28 H48 Ca4 N8 O32 -","4","1","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.0365","0.0268","","","0.0624","0.0654","","","","","","1.011","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206561","6.6989","0.0009","19.186","0.002","22.557","0.003","90","","96.501","0.011","90","","2880.5","0.6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 Ca4 Cu4 N8 O46 -","- C28 H64 Ca4 Cu4 N8 O46 -","- C56 H128 Ca8 Cu8 N16 O92 -","2","0.5","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.1098","0.0572","","","0.102","0.1149","","","","","","0.956","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206562","22.8907","0.0009","22.8907","0.0009","62.003","0.004","90","","90","","120","","28136","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 Co6 N24 O37 -","- C204 H181.99 Co6 N24 O37 -","- C1224 H1091.94 Co36 N144 O222 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.2369","0.1216","","","0.3206","0.3863","","","","","","1.045","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206563","23.2562","0.0006","23.2562","0.0006","62.035","0.002","90","","90","","120","","29056.6","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 N24 O37 Zn6 -","- C204 H181.99 N24 O37 Zn6 -","- C1224 H1091.94 N144 O222 Zn36 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.1818","0.0685","","","0.1739","0.2321","","","","","","0.98","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206564","9.768","0.002","10.475","0.002","10.64","0.002","74.74","0.03","80.82","0.03","69.5","0.03","981","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Ag N4 O3 S -","- C19 H15 Ag N4 O3 S -","- C38 H30 Ag2 N8 O6 S2 -","2","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0287","0.0255","","","0.0624","0.064","","","","","","1.047","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206565","9.2284","0.0018","9.4398","0.0019","17.845","0.004","90","","92.018","0.004","90","","1553.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C56 H48 Ag4 N20 O12 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0414","0.0379","","","0.0929","0.0954","","","","","","1.143","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206566","9.1859","0.0015","9.691","0.0016","20.348","0.003","90","","115.309","0.006","90","","1637.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag Cl N4 O4 -","- C14 H12 Ag Cl N4 O4 -","- C56 H48 Ag4 Cl4 N16 O16 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0338","0.032","","","0.0769","0.0779","","","","","","1.159","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206567","9.4587","0.0019","9.989","0.002","18.523","0.004","90","","90.07","0.03","90","","1750.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag F6 N4 P -","- C14 H12 Ag F6 N4 P -","- C56 H48 Ag4 F24 N16 P4 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0364","0.0308","","","0.0826","0.0857","","","","","","1.079","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206568","9.4187","0.0019","10.098","0.002","10.271","0.002","111.21","0.03","106.08","0.03","91.41","0.03","866.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Ag F3 N4 O2 -","- C16 H12 Ag F3 N4 O2 -","- C32 H24 Ag2 F6 N8 O4 -","2","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0385","0.0339","","","0.0849","0.0908","","","","","","1.115","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206569","7.362","0.0018","12.946","0.002","13.628","0.0013","90","","91.312","0.003","90","","1298.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 N7 Ni O5 Zn -","- C15 H16 N7 Ni O5 Zn -","- C30 H32 N14 Ni2 O10 Zn2 -","2","0.5","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.0979","0.0597","","","0.1178","0.1251","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206570","7.4474","0.0012","7.4474","0.0012","13.05","0.004","90","","90","","90","","723.8","0.3","291","2","291","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C4 N4 Ni Zn -","- C4 N4 Ni Zn -","- C8 N8 Ni2 Zn2 -","2","0.125","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.025","0.0216","","","0.0581","0.0596","","","","","","1.157","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206571","12.6429","0.0019","7.9421","0.0012","12.4142","0.0019","90","","99.785","0.002","90","","1228.4","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N6 Ni Zn -","- C8 H6 N6 Ni Zn -","- C32 H24 N24 Ni4 Zn4 -","4","0.5","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.032","0.0232","","","0.0533","0.0563","","","","","","1.041","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206572","6.9915","0.0009","11.7916","0.0015","13.0707","0.0016","69.367","0.001","81.976","0.002","85.836","0.002","998.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Ag B F4 N3 -","- C22 H15 Ag B F4 N3 -","- C44 H30 Ag2 B2 F8 N6 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0366","0.0306","","","0.0699","0.073","","","","","","1.037","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206573","8.3032","0.001","11.4028","0.0011","12.3817","0.001","76.926","0.002","83.328","0.001","72.711","0.002","1088.8","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Ag F6 N3 Sb -","- C22 H15 Ag F6 N3 Sb -","- C44 H30 Ag2 F12 N6 Sb2 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0367","0.0261","","","0.05","0.0547","","","","","","1.018","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206574","9.3343","0.0014","10.0902","0.0016","11.2321","0.0018","106.904","0.002","95.69","0.002","106.701","0.002","950","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H12 Ag F3 N2 O2 -","- C22 H12 Ag F3 N2 O2 -","- C44 H24 Ag2 F6 N4 O4 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0426","0.03","","","0.0628","0.0694","","","","","","1.032","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206575","23.6617","0.0012","9.5813","0.0005","20.3753","0.0016","90","","119.684","0.001","90","","4013.1","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H12 Ag F5 N2 O2 -","- C23 H12 Ag F5 N2 O2 -","- C184 H96 Ag8 F40 N16 O16 -","8","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0378","0.0282","","","0.0605","0.0663","","","","","","1.027","","","","has coordinates","208246","2020-10-21","18:00:00",""
"7206576","9.3176","0.0009","9.8539","0.0009","10.8856","0.001","113.664","0.001","94.632","0.001","105.517","0.001","861.78","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Ag N3 O3 -","- C20 H12 Ag N3 O3 -","- C40 H24 Ag2 N6 O6 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.021","0.0194","","","0.0485","0.0494","","","","","","1.057","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206577","12.6144","0.0011","11.932","0.001","13.318","0.0011","90","","106.702","0.001","90","","1920","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Ag F3 N2 O3 S -","- C21 H12 Ag F3 N2 O3 S -","- C84 H48 Ag4 F12 N8 O12 S4 -","4","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0483","0.0316","","","0.0695","0.0773","","","","","","1.027","","","","has coordinates","208163","2020-10-21","18:00:00",""
"7206578","13.7192","0.0013","15.7383","0.001","13.6309","0.001","90","","119.689","0.004","90","","2556.8","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","MnL1ClO4","","","- C22 H28 Cl Mn N2 O10 -","- C22 H32 Cl Mn N2 O11 -","- C88 H128 Cl4 Mn4 N8 O44 -","4","1","","González-Riopedre, Gustavo; Fernández-García, M Isabel; González-Noya, Ana M; Vázquez-Fernández, M Ángeles; Bermejo, Manuel R.; Maneiro, Marcelino","Manganese-Schiff base complexes as catalysts for water photolysis.","Physical chemistry chemical physics : PCCP","2011","13","40","18069","18077","10.1039/c1cp21154d","","x-ray","1.5418","CuKα","","0.0899","0.0794","","","0.2112","0.2202","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206579","4.8367","0.0006","12.1128","0.0018","30.967","0.005","90","","90","","90","","1814.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N6 O6 S -","- C15 H20 N6 O6 S -","- C60 H80 N24 O24 S4 -","4","1","","Swanick, Kalen N.; Dodd, David W.; Price, Jacquelyn T.; Brazeau, Allison L.; Jones, Nathan D.; Hudson, Robert H. E.; Ding, Zhifeng","Electrogenerated chemiluminescence of triazole-modified deoxycytidine analogues in N,N-dimethylformamide.","Physical chemistry chemical physics : PCCP","2011","13","38","17405","17412","10.1039/c1cp22116g","","","0.71073","MoKα","","0.0752","0.0526","","","0.1052","0.1196","","","","","","1.086","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206580","13.179","0.003","7.241","0.0019","15.27","0.004","90","","101.58","0.003","90","","1427.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-dimethylamino-2-benzylidene malonic acid dimethyl ester","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario","Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.","Physical chemistry chemical physics : PCCP","2011","13","40","18005","18014","10.1039/c1cp22267h","","","0.71073","MoKα","","0.0678","0.0547","","","0.1572","0.1743","","","","","","1.043","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206581","14.7372","0.0012","7.5331","0.0006","15.9358","0.0013","90","","115.266","0.001","90","","1599.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario","Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.","Physical chemistry chemical physics : PCCP","2011","13","40","18005","18014","10.1039/c1cp22267h","","","0.71073","MoKα","","0.0959","0.0632","","","0.1997","0.2359","","","","","","1.035","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206582","23.263","0.003","7.821","0.001","19.649","0.002","90","","116.614","0.0017","90","","3196.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C128 H168 N8 O32 -","8","1","","Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario","Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.","Physical chemistry chemical physics : PCCP","2011","13","40","18005","18014","10.1039/c1cp22267h","","","0.71073","MoKα","","0.0888","0.0464","","","0.1164","0.1378","","","","","","1.016","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206583","9.3488","0.0017","9.504","0.003","13.036","0.003","74.37","0.02","72.819","0.017","84.648","0.018","1065.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-(4-chlorophenyl)-6-(4-methylphenyl)-2,3,3a, 4-tetrahydro-1H- pyrido(3,2,1-jk)carbazole","4-(4-chlorophenyl)-6-(4-methylphenyl)-2,3,3a, 4-tetrahydro-1H-pyrido[3,2,1-jk]carbazole","","- C28 H24 Cl N -","- C28 H24 Cl N -","- C56 H48 Cl2 N2 -","2","1","","Chitra, Selvam; Paul, Nidhin; Muthusubramanian, Shanmugam; Manisankar, Paramasivam","A facile, water mediated, microwave-assisted synthesis of 4,6-diaryl-2,3,3a,4-tetrahydro-1H-pyrido[3,2,1-jk]carbazoles by a domino Fischer indole reaction‒intramolecular cyclization sequence","Green Chemistry","2011","13","10","2777","","10.1039/c1gc15483d","","","0.71073","MoKα","","0.06","0.0442","","","0.1374","0.1562","","","","","","1.05","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206584","25.731","0.0016","8.072","0.0007","18.411","0.0016","90","","106.441","0.003","90","","3667.6","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H20 Au N4 -","- C19 H20 Au N4 -","- C152 H160 Au8 N32 -","8","2","","Lacroix, Pascal G.; Munoz, M. Carmen; Gaspar, Ana Belén; Real, José Antonio; Bonhommeau, Sébastien; Rodriguez, Vincent; Nakatani, Keitaro","Synthesis, crystal structures, and solid state quadratic nonlinear optical properties of a series of stilbazolium cations combined with gold cyanide counter-ion","Journal of Materials Chemistry","2011","21","40","15940","","10.1039/c1jm12105g","","","0.71073","MoKα","","0.1041","0.0522","","","0.0911","0.1114","","","","","","1.046","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206585","6.615","0.0003","7.661","0.0003","10.267","0.0006","83.806","0.002","83.545","0.002","77.497","0.003","502.87","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 Au N4 O -","- C21 H22 Au N4 O -","- C21 H22 Au N4 O -","1","1","","Lacroix, Pascal G.; Munoz, M. Carmen; Gaspar, Ana Belén; Real, José Antonio; Bonhommeau, Sébastien; Rodriguez, Vincent; Nakatani, Keitaro","Synthesis, crystal structures, and solid state quadratic nonlinear optical properties of a series of stilbazolium cations combined with gold cyanide counter-ion","Journal of Materials Chemistry","2011","21","40","15940","","10.1039/c1jm12105g","","","0.71073","MoKα","","0.0394","0.036","","","0.0948","0.0981","","","","","","1.017","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206586","6.6997","0.0003","7.3685","0.0004","22.4087","0.0012","90","","93.852","0.005","90","","1103.75","0.1","100","2","100","2","","","","","","","Simon Dalgleish","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O S2 -","- C12 H9 N O S2 -","- C48 H36 N4 O4 S8 -","4","1","","Dalgleish, Simon; Labram, John G.; Li, Zhe; Wang, Jianpu; McNeill, Christopher R.; Anthopoulos, Thomas D.; Greenham, Neil C.; Robertson, Neil","Indole-substituted nickel dithiolene complexes in electronic and optoelectronic devices","Journal of Materials Chemistry","2011","21","39","15422","","10.1039/c1jm12466h","","","1.5418","CuKα","","0.0772","0.0674","","","0.1751","0.1799","","","","","","1.161","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206587","4.3101","0.00013","15.691","0.0004","21.4795","0.0007","90","","91.526","0.003","90","","1452.14","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 Ni S4 -","- C30 H34 N2 Ni S4 -","- C60 H68 N4 Ni2 S8 -","2","0.5","","Dalgleish, Simon; Labram, John G.; Li, Zhe; Wang, Jianpu; McNeill, Christopher R.; Anthopoulos, Thomas D.; Greenham, Neil C.; Robertson, Neil","Indole-substituted nickel dithiolene complexes in electronic and optoelectronic devices","Journal of Materials Chemistry","2011","21","39","15422","","10.1039/c1jm12466h","","","0.71073","MoKα","","0.0592","0.0458","","0.1299","0.1257","0.1299","","","","","","1.0064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206588","8.22","0.005","8.96","0.007","13.113","0.007","74.48","0.02","75.97","0.02","65.43","0.03","836.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 B2 N2 O4 -","- C44 H30 B2 N2 O4 -","- C44 H30 B2 N2 O4 -","1","0.5","","Li, Di; Wang, Kai; Huang, Shuo; Qu, Songnan; Liu, Xingyuan; Zhu, Qingxin; Zhang, Hongyu; Wang, Yue","Brightly fluorescent red organic solids bearing boron-bridged π‒conjugated skeletons","Journal of Materials Chemistry","2011","21","39","15298","","10.1039/c1jm12498f","","","0.71073","MoKα","","0.1801","0.0786","","","0.1304","0.1631","","","","","","1.015","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206589","9.813","0.007","10.072","0.006","10.185","0.006","85.79","0.02","77.07","0.02","63.68","0.02","879","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 B2 N2 O2 S2 -","- C44 H30 B2 N2 O2 S2 -","- C44 H30 B2 N2 O2 S2 -","1","0.5","","Li, Di; Wang, Kai; Huang, Shuo; Qu, Songnan; Liu, Xingyuan; Zhu, Qingxin; Zhang, Hongyu; Wang, Yue","Brightly fluorescent red organic solids bearing boron-bridged π‒conjugated skeletons","Journal of Materials Chemistry","2011","21","39","15298","","10.1039/c1jm12498f","","","0.71073","MoKα","","0.1013","0.0549","","","0.1064","0.123","","","","","","1.017","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206590","9.7047","0.0019","29.019","0.006","16.265","0.003","90","","101.76","0.03","90","","4484.4","1.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H37 Cl3 Cu F6 N2 O P3 -","- C47 H37 Cl3 Cu F6 N2 O P3 -","- C188 H148 Cl12 Cu4 F24 N8 O4 P12 -","4","1","","Costa, Rubén D.; Tordera, Daniel; Ortí, Enrique; Bolink, Henk J.; Schönle, Jonas; Graber, Stefan; Housecroft, Catherine E.; Constable, Edwin C.; Zampese, Jennifer A.","Copper(i) complexes for sustainable light-emitting electrochemical cells","Journal of Materials Chemistry","2011","21","40","16108","","10.1039/c1jm12607e","","","0.71073","MoKα","","0.0434","0.041","","","0.1094","0.1115","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206591","16.487","0.003","11.005","0.002","20.886","0.004","90","","104.93","0.03","90","","3661.6","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cu F6 N2 P3 -","- C40 H32 Cu F6 N2 P3 -","- C160 H128 Cu4 F24 N8 P12 -","4","1","","Costa, Rubén D.; Tordera, Daniel; Ortí, Enrique; Bolink, Henk J.; Schönle, Jonas; Graber, Stefan; Housecroft, Catherine E.; Constable, Edwin C.; Zampese, Jennifer A.","Copper(i) complexes for sustainable light-emitting electrochemical cells","Journal of Materials Chemistry","2011","21","40","16108","","10.1039/c1jm12607e","","","0.71073","MoKα","","0.0448","0.0384","","","0.089","0.0921","","","","","","1.103","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206592","13.4327","0.001","25.218","0.002","13.6483","0.0009","90","","105.808","0.005","90","","4448.5","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H38 Cl2 Cu F6 N2 O P3 -","- C49 H38 Cl2 Cu F6 N2 O P3 -","- C196 H152 Cl8 Cu4 F24 N8 O4 P12 -","4","1","","Costa, Rubén D.; Tordera, Daniel; Ortí, Enrique; Bolink, Henk J.; Schönle, Jonas; Graber, Stefan; Housecroft, Catherine E.; Constable, Edwin C.; Zampese, Jennifer A.","Copper(i) complexes for sustainable light-emitting electrochemical cells","Journal of Materials Chemistry","2011","21","40","16108","","10.1039/c1jm12607e","","","0.71073","MoKα","","0.0381","0.0347","","","0.0817","0.0836","","","","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206593","12.4818","0.0015","13.445","0.0015","15.0834","0.0018","86.429","0.009","67.721","0.009","62.963","0.008","2067.6","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H78 Cl2 Cu2 F12 N4 O2 P6 -","- C89 H76 Cl2 Cu2 F12 N4 O2 P6 -","- C89 H76 Cl2 Cu2 F12 N4 O2 P6 -","1","0.5","","Costa, Rubén D.; Tordera, Daniel; Ortí, Enrique; Bolink, Henk J.; Schönle, Jonas; Graber, Stefan; Housecroft, Catherine E.; Constable, Edwin C.; Zampese, Jennifer A.","Copper(i) complexes for sustainable light-emitting electrochemical cells","Journal of Materials Chemistry","2011","21","40","16108","","10.1039/c1jm12607e","","","0.71073","MoKα","","0.0548","0.0511","","","0.1385","0.1409","","","","","","1.114","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206594","10.8137","0.0013","19.04","0.002","19.246","0.004","90","","98.338","0.011","90","","3920.7","1","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Eu2 Mo N12 O17 -","- C25 H42 Eu2 Mo N12 O17 -","- C100 H168 Eu8 Mo4 N48 O68 -","4","1","","Tanase, Stefania; Mittelmeijer-Hazeleger, Marjo C.; Rothenberg, Gadi; Mathonière, Corine; Jubera, Véronique; Smits, Jan M. M.; de Gelder, René","A facile building-block synthesis of multifunctional lanthanide MOFs","Journal of Materials Chemistry","2011","21","39","15544","","10.1039/c1jm12789f","","","0.71073","MoKα","","0.0511","0.0378","","0.0873","0.0813","0.0873","","","1.219","","","1.219","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206595","21.6623","0.0019","21.6623","0.0019","21.6623","0.0019","90","","90","","90","","10165.1","1.5","296","2","296","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C30 H18 N3 Ni3 O13 -","- C30 H18 N3 Ni3 O13 -","- C240 H144 N24 Ni24 O104 -","8","0.166667","","Ren, Guojian; Liu, Shuxia; Ma, Fengji; Wei, Feng; Tang, Qun; Yang, Yuan; Liang, Dadong; Li, Shujun; Chen, Yaguang","A 9-connected metal‒organic framework with gas adsorption properties","Journal of Materials Chemistry","2011","21","40","15909","","10.1039/c1jm12834e","","","0.71073","MoKα","","0.0559","0.0388","","","0.058","0.061","","","","","","0.903","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206596","6.5724","0.0015","8.922","0.002","10.621","0.004","108.461","0.005","94.233","0.005","110.179","0.003","542.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl0 Cu3 N14 O8 -","- C12 H12 Cu3 N14 O8 -","- C12 H12 Cu3 N14 O8 -","1","0.5","","Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai","Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands","CrystEngComm","2011","13","22","6787","","10.1039/c0ce00914h","","","0.71073","MoKα","","0.0243","0.0224","","","0.0611","0.062","","","","","","1.087","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206597","5.2676","0.0011","10.446","0.002","10.739","0.002","116.41","0.03","103.82","0.03","92.64","0.03","506","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cu3 N14 O6 -","- C12 H8 Cu3 N14 O6 -","- C12 H8 Cu3 N14 O6 -","1","0.5","","Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai","Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands","CrystEngComm","2011","13","22","6787","","10.1039/c0ce00914h","","","0.71073","MoKα","","0.0326","0.0269","","","0.0728","0.0748","","","","","","1.16","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206598","7.6459","0.0015","27.929","0.006","11.311","0.002","90","","91.84","0.03","90","","2414.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CDPA-DMAP","","","- C29 H26 N4 O2 -","- C29 H26 N4 O2 -","- C116 H104 N16 O8 -","4","1","","Anthony, Savarimuthu Philip; Delaney, Colm; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","Supramolecular luminescent system based on 2-cyano-3(4-(diphenylamino)phenyl) acrylic acid: Chiral luminescent host for selective CH3CN sensor","CrystEngComm","2011","13","22","6706","","10.1039/c1ce05187c","","","0.71073","MoKα","","0.0697","0.0555","","","0.1498","0.1637","","","","","","1.105","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206599","20.497","0.008","6.687","0.003","20.628","0.008","90","","118.114","0.007","90","","2493.8","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CDPA-Propylamine","","","- C26 H26.5 N3.5 O2 -","- C26 H26.5 N3.5 O2 -","- C104 H106 N14 O8 -","4","1","","Anthony, Savarimuthu Philip; Delaney, Colm; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","Supramolecular luminescent system based on 2-cyano-3(4-(diphenylamino)phenyl) acrylic acid: Chiral luminescent host for selective CH3CN sensor","CrystEngComm","2011","13","22","6706","","10.1039/c1ce05187c","","","0.71073","MoKα","","0.1027","0.0834","","","0.216","0.2298","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206600","6.822","0.01","10.44","0.02","8.87","0.015","90","","101.396","0.013","90","","619.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(N4CCH2CH2COO)]n","[Zn(N4CCH2CH2COO)]n","","- C4 H4 N4 O2 Zn -","- C4 H4 N4 O2 Zn -","- C16 H16 N16 O8 Zn4 -","4","1","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.0276","0.0236","","","0.0589","0.0613","","","","","","1.063","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206601","8.371","0.004","22.545","0.01","9.785","0.005","90","","112.603","0.001","90","","1704.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn2(C10N2H8)(N4CCH2CH2COO)(N3)(u2-OH)]n","[Zn2(C10N2H8)(N4CCH2CH2COO)(N3)(u2-OH)]n","","- C14 H13 N9 O3 Zn2 -","- C14 H12 N9 O3 Zn2 -","- C56 H48 N36 O12 Zn8 -","4","1","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.0491","0.0404","","","0.0888","0.0951","","","","","","1.092","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206602","14.992","0.003","7.602","0.003","9.47","0.002","90","","105.271","0.019","90","","1041.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn2(C10N2H8)(N4CCH2CH2COO)2]n","[Zn2(C10N2H8)(N4CCH2CH2COO)2]n","","- C18 H16 N10 O4 Zn2 -","- C18 H16 N10 O4 Zn2 -","- C36 H32 N20 O8 Zn4 -","2","0.5","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.1294","0.0768","","","0.1418","0.1541","","","","","","0.979","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206603","11.494","0.002","14.205","0.003","9.7499","0.0019","90","","98.87","0.03","90","","1572.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 I2 N3 O2 Pb -","- C12 H7 I2 N3 O2 Pb -","- C48 H28 I8 N12 O8 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.0617","0.0593","","","0.1316","0.133","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206604","10.178","0.002","19.652","0.004","8.1846","0.0016","90","","116.79","0.03","90","","1461.4","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H9 I2 N3 Pb -","- C12 H9 I2 N3 Pb -","- C48 H36 I8 N12 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.0598","0.0542","","","0.1292","0.1439","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206605","11.698","0.002","14.156","0.003","9.4216","0.0019","90","","98.16","0.03","90","","1544.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cl I2 N2 Pb -","- C12 H7 Cl I2 N2 Pb -","- C48 H28 Cl4 I8 N8 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.1047","0.0892","","","0.1854","0.1941","","","","","","1.249","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206606","15.4705","0.0003","11.8919","0.0003","7.849","0.0002","88.252","0.002","95.429","0.002","92.534","0.002","1435.62","0.06","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.0477","0.0307","","","0.0741","0.0775","","","","","","0.968","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206607","15.4905","0.0017","12.0219","0.0009","7.8804","0.0007","88.69","0.008","95.03","0.009","90.906","0.008","1461.4","0.2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1226","0.0734","","","0.1936","0.2157","","","","","","0.845","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206608","15.4955","0.0007","12.1132","0.0006","7.9099","0.0007","88.155","0.006","95.227","0.006","90.875","0.004","1477.63","0.16","438","2","438","2","","","","","","","synthesis as described","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.0826","0.0572","","","0.1378","0.1452","","","","","","0.938","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206609","15.456","0.003","12.141","0.003","7.915","0.005","89.727","0.018","95.358","0.018","90.177","0.017","1478.7","1","503","2","503","2","","","","","","","synthesis as described","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1113","0.0498","","","0.1213","0.1384","","","","","","0.966","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206610","15.404","0.005","12.082","0.004","7.885","0.002","90","","94.95","0.02","90","","1462","0.8","533","2","533","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C6 H5.5 Co0.25 N O3 V -","- C6 H5.5 Co0.25 N O3 V -","- C48 H44 Co2 N8 O24 V8 -","8","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1659","0.0609","","","0.1207","0.1476","","","","","","0.843","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206611","21.96","0.005","5.8873","0.0013","10.731","0.003","90","","102.46","0.02","90","","1354.7","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 N2 O10 Zn -","- C26 H36 N2 O10 Zn -","- C52 H72 N4 O20 Zn2 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0691","0.041","","","0.0666","0.071","","","","","","0.924","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206612","21.574","0.003","5.9897","0.0003","14.1692","0.0018","90","","127.501","0.019","90","","1452.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 Cu2 N2 O11 -","- C26 H36 Cu2 N2 O11 -","- C52 H72 Cu4 N4 O22 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0383","0.0309","","","0.0651","0.0667","","","","","","1.007","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206613","6.6534","0.0001","18.96","0.0003","22.5591","0.0003","90","","90","","90","","2845.8","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O8 Zn2 -","- C26 H30 N2 O8 Zn2 -","- C104 H120 N8 O32 Zn8 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","1.54178","CuKα","","0.0444","0.0363","","","0.0791","0.0833","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206614","21.5285","0.001","5.9677","0.0003","11.6873","0.0006","90","","98.289","0.005","90","","1485.85","0.13","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C11 H19 Cu N O9 -","- C11 H18 Cu N O9 -","- C44 H72 Cu4 N4 O36 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0562","0.037","","","0.0512","0.0538","","","","","","0.876","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206615","8.324","0.0008","6.4377","0.0004","11.3504","0.0008","90","","101.988","0.009","90","","594.97","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O5 Zn -","- C11 H11 N O5 Zn -","- C22 H22 N2 O10 Zn2 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0724","0.0475","","","0.0969","0.1018","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206616","17.0146","0.0001","17.0146","0.0001","17.0146","0.0001","90","","90","","90","","4925.67","0.05","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H46 Cd3 Cl N4 Na O23 -","- C33 H33 Cd3 Cl N3 Na O19 -","- C132 H132 Cd12 Cl4 N12 Na4 O76 -","4","0.333333","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0551","0.0365","","","0.0823","0.0847","","","","","","1.01","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206617","6.6641","0.0002","7.7528","0.0003","19.6619","0.0007","90","","109.75","0.003","90","","956.08","0.06","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H11 La2 N3 O13 -","- C18 H11 La2 N3 O13 -","- C36 H22 La4 N6 O26 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0386","0.0228","","","0.0304","0.0312","","","","","","0.883","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206618","6.5605","0.0007","7.6743","0.0008","19.351","0.002","90","","108.709","0.009","90","","922.79","0.17","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H11 N3 O13 Sm2 -","- C18 H11 N3 O13 Sm2 -","- C36 H22 N6 O26 Sm4 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0605","0.0316","","","0.0498","0.0527","","","","","","0.98","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206619","6.6571","0.0006","7.6931","0.0007","19.61","0.002","90","","108.808","0.008","90","","950.68","0.16","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H9 La2 N3 O12 -","- C18 H9 La2 N3 O12 -","- C36 H18 La4 N6 O24 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0793","0.0675","","","0.2079","0.2238","","","","","","1.045","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206620","6.5238","0.0002","7.6246","0.0002","19.2614","0.0007","90","","108.791","0.003","90","","907.02","0.05","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H9 N3 O12 Sm2 -","- C18 H9 N3 O12 Sm2 -","- C36 H18 N6 O24 Sm4 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0313","0.0259","","","0.0604","0.0628","","","","","","1.068","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206621","14.132","0.005","10.507","0.003","15.816","0.005","90","","98.504","0.004","90","","2322.6","1.3","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H19.02 Eu2 N2 O20.51 P2 -","- C10 H14 Eu2 N2 O20.511 P2 -","- C40 H56 Eu8 N8 O82.044 P8 -","4","0.5","","Zhang, Lijuan; Xu, Sheng; Zhou, Yunshan; Zheng, Xiaorui; Yu, Chao; Shi, Zonghai; Hassan, Sadaf ul; Chen, Chao","Two isomorphous 3-D lanthanide oxalatophosphonate frameworks based on glyphosate: syntheses, crystal structures, and luminescence properties","CrystEngComm","2011","13","21","6511","","10.1039/c1ce05489a","","","0.71073","MoKα","","0.0242","0.0204","","","0.0472","0.0488","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206622","14.069","0.003","10.443","0.002","15.714","0.003","90","","98.528","0.003","90","","2283.2","0.8","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H18.92 N2 O20.46 P2 Tb2 -","- C10 H14 N2 O20.461 P2 Tb2 -","- C40 H56 N8 O81.844 P8 Tb8 -","4","0.5","","Zhang, Lijuan; Xu, Sheng; Zhou, Yunshan; Zheng, Xiaorui; Yu, Chao; Shi, Zonghai; Hassan, Sadaf ul; Chen, Chao","Two isomorphous 3-D lanthanide oxalatophosphonate frameworks based on glyphosate: syntheses, crystal structures, and luminescence properties","CrystEngComm","2011","13","21","6511","","10.1039/c1ce05489a","","","0.71073","MoKα","","0.0277","0.0224","","","0.0486","0.0505","","","","","","1.001","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7206623","7.5366","0.0004","9.427","0.0004","8.9888","0.0004","90","","96.744","0.003","90","","634.21","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl2 Cu N6 -","- C8 H12 Cl2 Cu N6 -","- C16 H24 Cl4 Cu2 N12 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0352","0.0288","","","0.0672","0.0707","","","","","","1.072","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206624","10.9001","0.0007","10.9001","0.0007","8.1598","0.0009","90","","90","","120","","839.6","0.12","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","1","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0417","0.0345","","","0.0787","0.0829","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206625","8.9652","0.0001","9.6841","0.0002","15.5712","0.0003","90","","90.783","0.001","90","","1351.76","0.04","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H24 Co N14 O2 S2 -","- C18 H24 Co N14 O2 S2 -","- C36 H48 Co2 N28 O4 S4 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0841","0.0659","","","0.1922","0.2118","","","","","","1.026","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206626","8.506","0.002","17.003","0.004","10.491","0.003","90","","90","","90","","1517.3","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 Ni O7 S -","- C8 H18 N6 Ni O7 S -","- C32 H72 N24 Ni4 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.068","0.0534","","","0.1296","0.1393","","","","","","1.071","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206627","7.7348","0.0005","17.2121","0.0012","8.7343","0.0006","90","","113.849","0.001","90","","1063.53","0.13","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br2 Cu N12 -","- C16 H24 Br2 Cu N12 -","- C32 H48 Br4 Cu2 N24 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.045","0.0296","","","0.0588","0.0634","","","","","","1.018","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206628","18.787","0.002","18.787","0.002","25.17","0.004","90","","90","","120","","7693.6","1.7","103","2","103","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Cl6 N54 Ni3 O24 -","- C72 H108 Cl6 N54 Ni3 O24 -","- C216 H324 Cl18 N162 Ni9 O72 -","3","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0511","0.0433","","","0.1052","0.1101","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7206629","8.5182","0.0011","17.061","0.002","10.5318","0.0014","90","","90","","90","","1530.6","0.3","150","2","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 Co N6 O7 S -","- C8 H18 Co N6 O7 S -","- C32 H72 Co4 N24 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MOKα","","0.05","0.0359","","","0.0792","0.0855","","","","","","1.051","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7206630","13.1073","0.0009","17.5935","0.0013","25.4796","0.0019","90","","90","","90","","5875.7","0.7","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O9.988 -","- C128 H224 Cl16 Cu8 N96 O79.904 -","8","0.25","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0448","0.037","","","0.1059","0.1108","","","","","","1.111","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206631","8.4528","0.0017","8.9701","0.0018","15.53","0.003","90","","104.559","0.003","90","","1139.7","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 Cu N3 O4 -","- C8 H12 Cu N3 O4 -","- C32 H48 Cu4 N12 O16 -","4","1","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0522","0.0368","","","0.0847","0.0904","","","","","","1.082","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206632","8.9762","0.0007","11.3964","0.0008","12.7958","0.0014","107.173","0.001","103.271","0.002","104.545","0.001","1143.39","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Co N9 O5 -","- C20 H24 Co N9 O5 -","- C40 H48 Co2 N18 O10 -","2","1","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.049","0.0386","","","0.0927","0.0989","","","","","","1.038","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206633","10.3892","0.0004","10.6944","0.0004","20.3245","0.0009","90","","90","","90","","2258.18","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H9 Cu N3 S2 -","- C9 H9 Cu N3 S2 -","- C72 H72 Cu8 N24 S16 -","8","1","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0795","0.0316","","","0.0564","0.0611","","","","","","0.761","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206634","9.7369","0.0012","9.0907","0.0011","31.145","0.004","90","","91.659","0.001","90","","2755.7","0.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Ag2 Br2 N6 S3 -","- C21 H21 Ag2 Br2 N6 S3 -","- C84 H84 Ag8 Br8 N24 S12 -","4","1","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0441","0.0303","","","0.0652","0.0698","","","","","","1.025","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206635","12.929","0.0012","10.5303","0.0009","10.7521","0.001","90","","95.796","0.002","90","","1456.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 N6 S4 -","- C24 H30 Cu2 N6 S4 -","- C48 H60 Cu4 N12 S8 -","2","0.5","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0523","0.0414","","","0.1186","0.1237","","","","","","1.079","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206636","9.1977","0.0001","8.2553","0.0001","23.7783","0.0004","90","","96.193","0.001","90","","1794.94","0.04","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trimethoprim+2-aminoterephthalic acid","Trimethoprim+2-aminoterephthalic acid","","- C36 H43 N9 O10 -","- C36 H43 N9 O10 -","- C72 H86 N18 O20 -","2","0.5","","Delori, Amit; Jones, William","A hydrogen bonded cocrystal with an unusual interweaving between the adjacent triple-helices","CrystEngComm","2011","13","21","6315","","10.1039/c1ce05534h","","","0.7107","MoKα","","0.0819","0.0561","","","0.1334","0.146","","","","","","1.064","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206637","17.835","0.004","12.421","0.003","19.029","0.004","90","","90","","90","","4215.5","1.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C37 H33 Ag5 N12 O14 -","- C37 H29 Ag5 N12 O14 -","- C148 H116 Ag20 N48 O56 -","4","0.5","","Cai, Song-Liang; Zheng, Sheng-Run; Tan, Jing-Bo; Pan, Mei; Fan, Jun; Zhang, Wei-Guang","An unprecedented supramolecular network with channels filled by 1D coordination polymer chains: Cocrystallization of Ag(i)-4,4′-bipyridine and Ag(i)-benzimidazole complexes","CrystEngComm","2011","13","21","6345","","10.1039/c1ce05535f","","","0.71073","MoKα","","0.1612","0.1085","","","0.3256","0.3678","","","","","","1.042","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206638","8.521","0.0017","5.2696","0.0011","7.724","0.0015","90","","90","","90","","346.83","0.12","296","2","296","2","360000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.0715","0.0535","","","0.1201","0.1278","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206639","8.4","0.06","5.159","0.005","7.61","0.03","90","","90","","90","","330","3","296","2","296","2","520000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.4255","0.1889","","","0.3133","0.455","","","","","","1.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206640","8.345","0.008","5.15","0.007","7.558","0.01","90","","90","","90","","324.8","0.7","296","2","296","2","650000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.1395","0.0939","","","0.1492","0.1724","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206641","8.2","0.013","5.13","0.03","7.4","0.02","90","","90","","90","","311","2","296","2","296","2","1190000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.3808","0.1269","","","0.1922","0.2649","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206642","8.08","0.03","4.914","0.016","7.33","0.02","90","","90","","90","","291","1.6","296","2","296","2","2040000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.2368","0.1732","","","0.2397","0.2645","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206643","3.881","0.004","7.532","0.008","31.35","0.03","90","","90.59","0.018","90","","916.4","1.6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 O4 S4 -","- C22 H8 O4 S4 -","- C44 H16 O8 S8 -","2","0.5","","Otón, Francisco; Pfattner, Raphael; Pavlica, Egon; Olivier, Yoann; Bratina, Gvido; Cornil, Jérôme; Puigdollers, Joaquim; Alcubilla, Ramón; Fontrodona, Xavier; Mas-Torrent, Marta; Veciana, Jaume; Rovira, Concepció","Electronic and structural characterisation of a tetrathiafulvalene compound as a potential candidate for ambipolar transport properties","CrystEngComm","2011","13","22","6597","","10.1039/c1ce05559c","","","0.71073","MoKα","","0.2976","0.2174","","","0.4178","0.4364","","","","","","1.876","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206644","9.751","0.002","20.573","0.004","13.834","0.005","90","","114.75","0.02","90","","2520.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Mn N5 O5 -","- C26 H19 Mn N5 O5 -","- C104 H76 Mn4 N20 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1944","0.102","","","0.1546","0.1869","","","","","","1.027","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206645","9.058","0.0018","20.067","0.004","12.886","0.003","90","","106.79","0.03","90","","2242.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 Ni O5 -","- C26 H19 N5 Ni O5 -","- C104 H76 N20 Ni4 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1221","0.0833","","","0.1462","0.1626","","","","","","1.03","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206646","9.058","0.0018","20.067","0.004","12.886","0.003","90","","106.79","0.03","90","","2242.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 O5 Zn -","- C26 H19 N5 O5 Zn -","- C104 H76 N20 O20 Zn4 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0734","0.0562","","","0.1267","0.1369","","","","","","1.012","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206647","9.456","0.0019","20.106","0.004","12.865","0.003","90","","106.81","0.03","90","","2341.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Co N5 O5 -","- C26 H19 Co N5 O5 -","- C104 H76 Co4 N20 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0984","0.0652","","","0.1063","0.1166","","","","","","1.045","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206648","9.138","0.0018","11.366","0.002","12.541","0.003","66.69","0.03","85.9","0.03","85.13","0.03","1190.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 N10 O12 Zn3 -","- C52 H40 N10 O12 Zn3 -","- C52 H40 N10 O12 Zn3 -","1","0.5","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1423","0.1186","","","0.2743","0.2865","","","","","","1.014","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206649","9.85","0.002","11.721","0.002","12.217","0.002","103.76","0.03","102.53","0.03","94.49","0.03","1324.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Co N5 O6 -","- C28 H25 Co N5 O6 -","- C56 H50 Co2 N10 O12 -","2","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0633","0.0474","","","0.1017","0.1083","","","","","","1.082","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206650","10.399","0.002","10.583","0.002","23.268","0.005","90","","101.25","0.03","90","","2511.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cu N5 O7 -","- C26 H19 Cu N5 O7 -","- C104 H76 Cu4 N20 O28 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1182","0.0832","","","0.154","0.1682","","","","","","1.01","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206651","9.687","0.0019","11.87","0.002","12.456","0.003","100.03","0.03","99.52","0.03","97.24","0.03","1373.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N10 Ni2 O17 -","- C52 H42 N10 Ni2 O17 -","- C52 H42 N10 Ni2 O17 -","1","0.5","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.148","0.0907","","","0.1937","0.228","","","","","","0.993","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206652","22.4693","0.0015","14.3685","0.0009","21.7069","0.0016","90","","109.168","0.001","90","","6619.5","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Cu6 N15 -","- C72 H51 Cu6 N15 -","- C288 H204 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0887","0.0473","","","0.093","0.1099","","","","","","1.006","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206653","22.7172","0.001","14.5191","0.0007","21.7987","0.001","90","","108.788","0.001","90","","6806.8","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H57 Cu6 N15 -","- C75 H57 Cu6 N15 -","- C300 H228 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0631","0.04","","","0.0996","0.1157","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206654","23.568","0.003","14.2616","0.0016","24.342","0.004","90","","118.922","0.002","90","","7161.3","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H63 Cu6 N15 -","- C78 H63 Cu6 N15 -","- C312 H252 Cu24 N60 -","4","1","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.1133","0.0604","","","0.1462","0.1886","","","","","","1.001","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206655","32.9876","0.0014","15.2044","0.0006","15.3966","0.0006","90","","90","","90","","7722.3","0.5","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C87 H61 Cu6 N15 O2 -","- C87 H57 Cu6 N15 -","- C348 H228 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0885","0.0492","","","0.1225","0.139","","","","","","0.985","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206656","7.9753","0.0004","10.7633","0.0006","29.7359","0.0011","86.267","0.002","46.207","0.002","72.569","0.002","1720.05","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H29 N4 Ni O4 S2 -","- C41 H29 N4 Ni O4 S2 -","- C82 H58 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0634","0.0433","","","0.1246","0.1463","","","","","","1.028","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206657","7.8922","0.0001","10.708","0.0002","29.755","0.0007","91.061","0.001","46.772","0.002","74.875","0.001","1697.79","0.09","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 Br N4 Ni O6 S2 -","- C37 H27 Br N4 Ni O6 S2 -","- C74 H54 Br2 N8 Ni2 O12 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.087","0.0507","","","0.1286","0.1488","","","","","","1.031","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206658","10.268","0.002","11.0835","0.0007","28.807","0.004","87.171","0.012","35.532","0.007","84.06","0.01","1891.6","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H30 Br2 N4 Ni O4 S2 -","- C42 H30 Br2 N4 Ni O4 S2 -","- C84 H60 Br4 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0783","0.0437","","","0.1048","0.124","","","","","","1.033","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206659","9.0241","0.0018","11.139","0.002","29.368","0.005","73.49","0.02","32.633","0.009","62.65","0.03","1381.1","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 N4 Ni O4 S2 -","- C30 H22 N4 Ni O4 S2 -","- C60 H44 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0656","0.0382","","","0.0918","0.1006","","","","","","1.001","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206660","5.068","0.0003","11.0147","0.0007","20.8655","0.0013","81.306","0.003","89.114","0.003","80.325","0.003","1134.95","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 Cu2 N4 O30 S4 -","- C24 H60 Cu2 N4 O30 S4 -","- C24 H60 Cu2 N4 O30 S4 -","1","0.5","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0563","0.0515","","","0.1338","0.138","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206661","8.3361","0.0007","10.7845","0.0009","12.6902","0.0016","104.841","0.005","104.913","0.006","105.793","0.004","993.4","0.18","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","1","1","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0533","0.0402","","","0.0906","0.1051","","","","","","1.032","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206662","9.3053","0.0004","10.177","0.0004","13.6897","0.0006","86.972","0.002","89.543","0.002","64.397","0.002","1167.33","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","1","0.5","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0227","0.0208","","","0.0534","0.0549","","","","","","1.049","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206663","19.2774","0.0008","20.9886","0.0007","43.284","0.0016","90","","90","","90","","17513","1.1","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C18.5 H19.5 N2.5 O7.5 S Zn -","- C17 H12 N2 O5 S Zn -","- C544 H384 N64 O160 S32 Zn32 -","32","1","","Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun","Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage","CrystEngComm","2011","13","21","6323","","10.1039/c1ce05592e","","","0.71073","MoKα","","0.0513","0.046","","","0.1401","0.1466","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206664","11.4284","0.0007","11.4284","0.0007","30.743","0.004","90","","90","","120","","3477.3","0.5","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C20 H21 Co N3 O7 S -","- C20 H21 Co N3 O7 S -","- C120 H126 Co6 N18 O42 S6 -","6","1","","Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun","Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage","CrystEngComm","2011","13","21","6323","","10.1039/c1ce05592e","","","0.71073","MoKα","","0.0535","0.0469","","","0.1218","0.1273","","","","","","1.024","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206665","14.628","0.0016","11.6031","0.0011","22.004","0.003","90","","116.141","0.009","90","","3352.7","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H36 N10 Ni4 O27 -","- C58 H36 N10 Ni4 O27 -","- C116 H72 N20 Ni8 O54 -","2","0.5","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Vallcorba, Oriol; Rius, Jordi; Miravittles, Carles; Arriortua, María-Isabel","Solid-state transformation of the MOF [Ni2(bipy)1.5(PDC)2(H2O)2]·3.5H2O","CrystEngComm","2011","13","22","6831","","10.1039/c1ce05594a","","","0.71073","MoKα","","0.1572","0.0573","","","0.0827","0.0978","","","","","","0.744","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206666","13.6038","0.0007","10.8508","0.0007","19.3004","0.0012","90","","95.047","0.004","90","","2837.9","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 N5 Ni2 O9 -","- C29 H18 N5 Ni2 O9 -","- C116 H72 N20 Ni8 O36 -","4","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Vallcorba, Oriol; Rius, Jordi; Miravittles, Carles; Arriortua, María-Isabel","Solid-state transformation of the MOF [Ni2(bipy)1.5(PDC)2(H2O)2]·3.5H2O","CrystEngComm","2011","13","22","6831","","10.1039/c1ce05594a","","","","","","","","","","","","","","","","","","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206667","7.2482","0.001","7.5827","0.001","12.2794","0.0016","77.826","0.002","84.096","0.002","63.018","0.002","587.88","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Anthranilic acid Pyrazinamide","2-Aminobenzoic acid Pyrazinecarboxamide","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C24 H24 N8 O6 -","2","1","","Abourahma, Heba; Cocuzza, Devon S.; Melendez, Jesus; Urban, Jennifer M.","Pyrazinamide cocrystals and the search for polymorphs","CrystEngComm","2011","13","21","6442","","10.1039/c1ce05598d","","","0.71073","MoKα","","0.0877","0.0471","","","0.1132","0.1338","","","","","","1.018","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206668","10.9374","0.0002","10.9374","0.0002","21.0837","0.0008","90","","90","","120","","2184.27","0.1","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Gd O7 -","- C12 H17 Gd O7 -","- C72 H102 Gd6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0197","0.0191","","","0.04","0.0404","","","","","","1.136","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206669","10.9106","0.0002","10.9106","0.0002","20.9713","0.0007","90","","90","","120","","2161.99","0.09","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 O7 Tb -","- C12 H17 O7 Tb -","- C72 H102 O42 Tb6 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0209","0.0203","","","0.0465","0.0469","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206670","10.9445","0.0001","10.9445","0.0001","21.1465","0.0005","90","","90","","120","","2193.62","0.06","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Eu O7 -","- C12 H19 Eu O7 -","- C72 H114 Eu6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0193","0.0185","","","0.0418","0.0424","","","","","","1.104","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206671","10.8956","0.0002","10.8956","0.0002","20.9289","0.0012","90","","90","","120","","2151.69","0.14","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Dy O7 -","- C12 H17 Dy O7 -","- C72 H102 Dy6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0244","0.0213","","","0.0372","0.0379","","","","","","1.058","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206672","6.4294","0.0008","20.626","0.003","11.6196","0.0011","90","","90.708","0.004","90","","1540.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-((mu2-biphenyl-4,4'-dicarboxylate)-(bis(mu3-1,3,5- triaza-7-phosphaadamantane)) -disilver(i)-dihydrate)","catena-((μ2-biphenyl-4,4'-dicarboxylate)- (bis(μ3-1,3,5-triaza-7-phosphaadamantane)) -disilver(I)-dihydrate)","","- C13 H20 Ag N3 O4 P -","- C13 H20 Ag N3 O4 P -","- C52 H80 Ag4 N12 O16 P4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks","CrystEngComm","2011","13","21","6329","","10.1039/c1ce05612c","","","0.71073","MoKα","","0.0891","0.0461","","","0.0752","0.0867","","","","","","0.97","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206673","11.7271","0.0002","11.7707","0.0002","18.2633","0.0004","90","","98.704","0.001","90","","2491.96","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","catena-((mu4-phenyl-1,2,4,5-tetracarboxylate) -bis(mu2-1,3,5- triaza-7-phosphaadamantane) -bis(mu3-1,3,5-triaza-7-phosphaadamantane) - tetrasilver(i)-octahydrate)","catena-((μ4-phenyl-1,2,4,5-tetracarboxylate) -bis(μ2-1,3,5-triaza-7-phosphaadamantane) -bis(μ3-1,3,5-triaza-7-phosphaadamantane) -tetrasilver(I)-octahydrate)","","- C34 H50 Ag4 N12 O8 P4 -","- C34 H50 Ag4 N12 O8 P4 -","- C68 H100 Ag8 N24 O16 P8 -","2","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks","CrystEngComm","2011","13","21","6329","","10.1039/c1ce05612c","","","0.71069","MoKα","","0.0457","0.0376","","","0.1035","0.1085","","","","","","0.999","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206674","8.1689","0.0006","8.3465","0.0006","9.7857","0.0008","113.114","0.007","98.197","0.007","99.316","0.006","589.73","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.0469","0.0368","","","0.1036","0.1073","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206675","8.196","0.0006","8.3777","0.0007","9.7987","0.0008","113.233","0.007","97.935","0.006","99.632","0.006","593.88","0.09","265","2","265","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.0495","0.0388","","","0.1077","0.1117","","","","","","1.053","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206676","8.2133","0.0006","8.3969","0.0007","9.8069","0.0008","113.304","0.008","97.788","0.007","99.804","0.007","596.52","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.049","0.0382","","","0.1074","0.1114","","","","","","1.061","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206677","8.457","0.005","8.555","0.004","9.024","0.005","73.9","0.03","81.76","0.04","65.32","0.02","569.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cd2 Cl4 N4 O2 -","- C14 H22 Cd2 Cl4 N4 O2 -","- C14 H22 Cd2 Cl4 N4 O2 -","1","0.5","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben","Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties","CrystEngComm","2011","13","21","6457","","10.1039/c1ce05626c","","","0.71073","MoKα","","0.0371","0.0347","","","0.1081","0.1146","","","","","","1.232","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206678","14.691","0.006","7.384","0.005","20.279","0.009","90","","90","","90","","2200","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Cl2 Hg N2 O -","- C7 H12 Cl2 Hg N2 O -","- C56 H96 Cl16 Hg8 N16 O8 -","8","1","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben","Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties","CrystEngComm","2011","13","21","6457","","10.1039/c1ce05626c","","","0.71073","MoKα","","0.0451","0.045","","","0.1167","0.1168","","","","","","1.196","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206679","7.9451","0.0016","8.6039","0.0017","8.71","0.0017","64.75","0.03","73.33","0.03","63.46","0.03","478.3","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","1","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.149","0.0672","","","0.1495","0.1877","","","","","","1.058","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206680","5.0087","0.001","15.303","0.004","12.989","0.004","90","","107.44","0.03","90","","949.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C36 H40 N12 O12 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0823","0.0462","","","0.1142","0.1572","","","","","","1.035","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206681","14.556","0.003","9.1625","0.0018","16.157","0.003","90","","116.29","0.03","90","","1932","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C72 H80 N24 O24 -","4","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0911","0.0549","","","0.1586","0.1867","","","","","","1.09","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206682","8.2787","0.0017","16.705","0.003","13.977","0.003","90","","98.07","0.03","90","","1913.8","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C72 H80 N24 O24 -","4","1","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.1954","0.0899","","","0.1716","0.2192","","","","","","1.039","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206683","5.635","0.0011","11.689","0.002","15.962","0.003","90","","97.04","0.03","90","","1043.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C36 H40 Cl4 N8 O16 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.1729","0.0833","","","0.1671","0.2303","","","","","","1.081","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206684","4.9429","0.001","15.579","0.003","13.581","0.003","90","","91.78","0.03","90","","1045.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C36 H40 Cl4 N8 O16 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0793","0.0496","","","0.1243","0.1675","","","","","","1.096","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206685","14.917","0.003","9.4759","0.0019","16.141","0.003","90","","111.52","0.03","90","","2122.5","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C72 H80 Cl8 N16 O32 -","4","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.128","0.0566","","","0.0988","0.1171","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206686","5.0052","0.001","20.411","0.004","20.976","0.004","90","","94.02","0.03","90","","2137.7","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C72 H80 Cl8 N16 O32 -","4","1","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.2324","0.079","","","0.1207","0.1589","","","","","","1.022","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206687","7.621","0.003","8.204","0.004","11.956","0.005","77.163","0.008","88.414","0.008","80.874","0.008","719.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H14 Cu2 N14 -","- C5 H14 Cu2 N14 -","- C10 H28 Cu4 N28 -","2","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0665","0.0577","","","0.1393","0.1452","","","","","","1.182","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206688","7.675","0.002","8.264","0.002","12.511","0.003","104.78","0.004","90.05","0.005","98.076","0.004","759.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu2 N14 -","- C6 H16 Cu2 N14 -","- C12 H32 Cu4 N28 -","2","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0704","0.0603","","","0.1592","0.167","","","","","","1.024","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206689","8.022","0.0016","22.375","0.003","13.5792","0.0016","90","","121.182","0.007","90","","2085.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cu3 N22 -","- C6 H18 Cu3 N22 -","- C24 H72 Cu12 N88 -","4","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0653","0.0487","","","0.1142","0.1191","","","","","","1.091","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206690","10.7103","0.0009","11.2561","0.001","11.9413","0.0017","109.829","0.001","96.517","0.001","116.317","0.001","1152.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cu2 Mo4 N9 O14 -","- C9 H12 Cu2 Mo4 N9 O14 -","- C18 H24 Cu4 Mo8 N18 O28 -","2","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.0437","0.0335","","","0.0756","0.0809","","","","","","0.971","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206691","10.6009","0.001","12.2124","0.0012","13.7623","0.0014","72.12","0.001","68.478","0.001","87.325","0.001","1573","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cu Mo4 N12 O15 -","- C16 H24 Cu Mo4 N12 O15 -","- C32 H48 Cu2 Mo8 N24 O30 -","2","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.058","0.0377","","","0.0855","0.0942","","","","","","1.034","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206692","14.5811","0.0009","11.2874","0.0007","15.849","0.0009","90","","106.046","0.001","90","","2506.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cu Mo4 N6 O15 -","- C12 H12 Cu Mo4 N6 O15 -","- C48 H48 Cu4 Mo16 N24 O60 -","4","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.0478","0.04","","","0.1057","0.1103","","","","","","1.025","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206693","10.2447","0.0003","29.148","0.001","10.2114","0.0003","90","","106.636","0.002","90","","2921.62","0.16","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5H-dibenz(b,f)azepine-5-carboxamide 2-(1-((4- chlorophenyl)carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid (1/1)","","- C34 H28 Cl N3 O5 -","- C34 H28 Cl N3 O5 -","- C136 H112 Cl4 N12 O20 -","4","1","","Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare; Williams, Adrian C.; Spillman, Mark J.; Shankland, Norman; Shankland, Kenneth","A carbamazepine-indomethacin (1 : 1) cocrystal produced by milling","CrystEngComm","2011","13","21","6327","","10.1039/c1ce05650f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206694","5.3232","0.001","15.896","0.003","25.664","0.005","90","","90","","90","","2171.6","0.7","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F6 O6 -","- C20 H24 F6 O6 -","- C80 H96 F24 O24 -","4","1","","Kataoka, Keisuke; Yanagi, Masato; Katagiri, Toshimasa","A crystal engineering weaving of half-spiral molecules by hydrogen bonding chains into tube structures","CrystEngComm","2011","13","21","6342","","10.1039/c1ce05663h","","","0.71075","MoKα","","","0.0334","","","","0.0814","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206695","10.0681","0.0003","10.0681","0.0003","23.396","0.001","90","","90","","90","","2371.57","0.14","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C8 H16 Br2 Co O4 -","- C8 H16 Br2 Co O4 -","- C64 H128 Br16 Co8 O32 -","8","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0868","0.041","","","0.1179","0.1328","","","","","","1.029","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206696","5.8213","0.0015","6.9778","0.0018","10.275","0.003","99.636","0.003","101.641","0.003","112.746","0.002","362.81","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Br2 Co O6 -","- C8 H20 Br2 Co O6 -","- C8 H20 Br2 Co O6 -","1","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0298","0.0285","","","0.0602","0.0609","","","","","","1.134","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206697","23.4355","0.0004","25.8418","0.0006","11.7298","0.0002","90","","113.109","0.001","90","","6533.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Br2 Co O8 -","- C8 H24 Br2 Co O8 -","- C128 H384 Br32 Co16 O128 -","16","2","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.1052","0.0378","","","0.083","0.1012","","","","","","0.913","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206698","9.1728","0.0003","9.1728","0.0003","19.5503","0.0007","90","","90","","90","","1644.97","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C8 H24 Br2 Co O8 -","- C8 H24 Br2 Co O8 -","- C32 H96 Br8 Co4 O32 -","4","0.25","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0621","0.0433","","","0.1132","0.1239","","","","","","1.046","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206699","6.4597","0.0016","9.033","0.002","9.738","0.003","105.54","0.004","98.341","0.003","92.69","0.003","539.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Br2 Co O10 -","- C12 H32 Br2 Co O10 -","- C12 H32 Br2 Co O10 -","1","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0398","0.0355","","","0.0683","0.0705","","","","","","1.098","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206700","7.73","0.002","7.265","0.001","15.295","0.002","90","","115.818","0.008","90","","773.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C36 H40 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0344","0.031","","","0.0749","0.0774","","","","","","1.03","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206701","8.194","0.0006","9.498","0.0007","17.3407","0.001","90","","110.609","0.003","90","","1263.2","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.041","0.0372","","","0.0931","0.0964","","","","","","1.06","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206702","8.149","0.004","8.793","0.003","12.745","0.003","92.07","0.002","95.979","0.003","92.462","0.002","906.7","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C46 H44 O6 -","2","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0511","0.0407","","","0.1189","0.1272","","","","","","1.084","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206703","31.128","0.006","8.2169","0.0016","17.034","0.003","90","","90","","90","","4356.9","1.4","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0862","0.0481","","","0.1181","0.1365","","","","","","1.04","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206704","9.288","0.004","10.108","0.005","11.775","0.006","90","","112.531","0.008","90","","1021.1","0.9","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H11 Ag N5 O3 -","- C6 H11 Ag N5 O3 -","- C24 H44 Ag4 N20 O12 -","4","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0419","0.0318","","","0.0836","0.0886","","","","","","1.134","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206705","6.915","0.003","12.114","0.005","12.735","0.005","106.082","0.006","91.756","0.007","100.229","0.007","1005.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Ag4 N20 O11 -","- C24 H40 Ag4 N20 O11 -","- C24 H40 Ag4 N20 O11 -","1","0.5","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0953","0.0744","","","0.158","0.1681","","","","","","1.168","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206706","7.127","0.003","11.788","0.005","12.716","0.005","62.542","0.007","74.618","0.007","75.193","0.009","902.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 Ag2 N10 O4 -","- C13 H20 Ag2 N10 O4 -","- C26 H40 Ag4 N20 O8 -","2","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0491","0.0387","","","0.0897","0.094","","","","","","1.042","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206707","11.786","0.003","23.065","0.007","8.343","0.002","90","","123.095","0.004","90","","1900.1","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Ag N5 O2 -","- C7 H11 Ag N5 O2 -","- C56 H88 Ag8 N40 O16 -","8","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0379","0.0331","","","0.0844","0.0868","","","","","","1.083","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206708","10.551","0.007","8.536","0.006","12.311","0.008","90","","115.375","0.003","90","","1001.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Ag N5 O2 -","- C8 H9 Ag N5 O2 -","- C32 H36 Ag4 N20 O8 -","4","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0551","0.0421","","","0.0989","0.1028","","","","","","0.99","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206709","4.9117","0.0011","5.1136","0.001","11.033","0.003","79.955","0.014","75.771","0.016","61.571","0.017","235.68","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","Silver (II) triflate","Silver (II) trifluoromethanesulfonate","","- C2 Ag F6 O6 S2 -","- C2 Ag F6 O6 S2 -","- C2 Ag F6 O6 S2 -","1","0.5","","Malinowski, Przemysław J.; Mazej, Zoran; Derzsi, Mariana; Jagličić, Zvonko; Szydłowska, Jadwiga; Gilewski, Tomasz; Grochala, Wojciech","Silver(ii) triflate with one-dimensional [Ag(ii)(SO3CF3)4/2]\ιnfty chains hosting antiferromagnetism","CrystEngComm","2011","13","22","6871","","10.1039/c1ce05712j","powder diffraction","","1.5418","CuKα","","0.0393","","","","","","","","2.2","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206710","25.614","0.005","10.367","0.002","14.328","0.003","90","","110.43","0.03","90","","3565.3","1.4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Cl4 Cu N2 O4 -","- C34 H42 Cl4 Cu N2 O4 -","- C136 H168 Cl16 Cu4 N8 O16 -","4","0.5","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0282","0.0258","","","0.0754","0.0768","","","","","","1.135","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206711","10.471","0.002","14.032","0.003","27.239","0.005","90","","94.8","0.03","90","","3988.2","1.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl4 Cu N2 O4 -","- C41 H47 Cl4 Cu N2 O4 -","- C164 H188 Cl16 Cu4 N8 O16 -","4","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0395","0.0337","","","0.0807","0.084","","","","","","1.072","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206712","10.467","0.002","14.108","0.003","27.33","0.006","90","","95.29","0.03","90","","4018.6","1.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl4 Cu N2 O4 -","- C41 H46 Cl4 Cu N2 O4 -","- C164 H184 Cl16 Cu4 N8 O16 -","4","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0361","0.0325","","","0.081","0.0835","","","","","","0.961","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206713","15.823","0.003","17.165","0.003","18.838","0.004","64.88","0.03","72.07","0.03","63.17","0.03","4090.8","1.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98.5 Cl7 Cu N4 O10.5 -","- C84 H98.5 Cl7 Cu N4 O10.5 -","- C168 H197 Cl14 Cu2 N8 O21 -","2","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0716","0.057","","","0.1557","0.1633","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206714","16.936","0.003","13.756","0.002","15.609","0.002","90","","90","","90","","3636.5","1","298","2","298","2","","","","","","","","7","P b a n :2","-P 2ab 2b","50","","","","- C78 H58 Ag2 F12 N8 O6 P2 -","- C78 H58 Ag2 F12 N8 O6 P2 -","- C156 H116 Ag4 F24 N16 O12 P4 -","2","0.25","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0961","0.0671","","","0.1617","0.1815","","","","","","1.077","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7206715","8.9896","0.0012","31.618","0.004","12.7659","0.0017","90","","105.991","0.002","90","","3488.1","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Ag F6 N4 O3 Sb -","- C30 H20 Ag F6 N4 O3 Sb -","- C120 H80 Ag4 F24 N16 O12 Sb4 -","4","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0544","0.0451","","","0.1166","0.1202","","","","","","1.083","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206716","10.518","0.002","13.249","0.002","13.926","0.003","83.357","0.003","82.318","0.003","70.574","0.003","1808.5","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H46 Ag2 F6 N8 O12 S2 -","- C68 H46 Ag2 F6 N8 O12 S2 -","- C68 H46 Ag2 F6 N8 O12 S2 -","1","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0625","0.045","","","0.088","0.0925","","","","","","0.944","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206717","7.8309","0.0013","13.545","0.002","17.271","0.003","73.472","0.002","89.038","0.002","80.625","0.003","1731.9","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 Ag2 F12 N4 O3 Sb2 -","- C30 H20 Ag2 F12 N4 O3 Sb2 -","- C60 H40 Ag4 F24 N8 O6 Sb4 -","2","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0658","0.0473","","","0.1212","0.1312","","","","","","1.043","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206718","7.8557","0.001","18.207","0.002","13.4719","0.0017","90","","103.544","0.002","90","","1873.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H11 Ag F3 N2 O5 S -","- C16 H11 Ag F3 N2 O5 S -","- C64 H44 Ag4 F12 N8 O20 S4 -","4","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0533","0.0499","","","0.1528","0.1557","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206719","23.985","0.003","19.144","0.003","8.5795","0.0013","90","","90.577","0.003","90","","3939.2","1","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C37 H31 Ag F6 N4 O4 Sb -","- C37 H31 Ag F6 N4 O4 Sb -","- C148 H124 Ag4 F24 N16 O16 Sb4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0747","0.0648","","","0.1691","0.1772","","","","","","1.055","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206720","24.406","0.004","18.749","0.003","8.3657","0.0012","90","","90.991","0.002","90","","3827.5","1","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C33 H23 Ag F6 N4 O3 P -","- C33 H23 Ag F6 N4 O3 P -","- C132 H92 Ag4 F24 N16 O12 P4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0744","0.0586","","","0.1538","0.1616","","","","","","1.071","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206721","24.97","0.019","18.714","0.014","8.194","0.006","90","","90.02","0.02","90","","3829","5","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C33 H23 Ag Cl N4 O7 -","- C33 H23 Ag Cl N4 O7 -","- C132 H92 Ag4 Cl4 N16 O28 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0881","0.0566","","","0.1364","0.1485","","","","","","0.968","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206722","14.038","0.003","18.203","0.003","13.527","0.002","90","","97.894","0.003","90","","3423.8","1.1","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H20 Ag F6 N4 O3 Sb -","- C30 H20 Ag F6 N4 O3 Sb -","- C120 H80 Ag4 F24 N16 O12 Sb4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.1073","0.0923","","","0.2513","0.2609","","","","","","1.109","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206723","13.9206","0.0017","18.112","0.002","26.968","0.003","90","","100.037","0.002","90","","6695.4","1.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Ag F6 N4 O4 P -","- C34 H28 Ag F6 N4 O4 P -","- C272 H224 Ag8 F48 N32 O32 P8 -","8","2","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0632","0.0529","","","0.131","0.1394","","","","","","1.021","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206724","24.744","0.004","13.627","0.002","19.476","0.003","90","","102.663","0.003","90","","6407.3","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H22 Ag Cl2 N4 O7.5 -","- C30.5 H22 Ag Cl2 N4 O7.5 -","- C244 H176 Ag8 Cl16 N32 O60 -","8","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0796","0.0567","","","0.1649","0.1852","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206725","23.317","0.005","18.586","0.004","9.209","0.0018","90","","106.36","0.03","90","","3829.3","1.5","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cesium triphenylcyanoborate","","- C39 H34 B2 Cs2 N2 O -","- C39 H34 B2 Cs2 N2 O -","- C156 H136 B8 Cs8 N8 O4 -","4","0.5","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.0486","0.036","","","0.0895","0.0946","","","","","","1.061","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206726","27.406","0.006","15.76","0.003","15.649","0.003","90","","90","","90","","6759","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","rubidium triphenylcyanoborate","","- C19 H15 B N Rb -","- C19 H15 B N Rb -","- C304 H240 B16 N16 Rb16 -","16","2","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.1975","0.0554","","","0.0961","0.1162","","","","","","0.861","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206727","17.1789","0.0016","17.1789","0.0016","11.4979","0.001","90","","90","","90","","3393.2","0.5","297","2","297","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","potassium triphenylcyanoborate","","- C19 H16 B K N O0.5 -","- C19 H16 B K N O0.5 -","- C152 H128 B8 K8 N8 O4 -","8","1","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.0375","0.031","","","0.0733","0.0767","","","","","","1.033","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7206728","9.1733","0.001","10.6165","0.0011","24.064","0.003","90","","90.718","0.001","90","","2343.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cd N5 O10 -","- C18 H23 Cd N5 O10 -","- C72 H92 Cd4 N20 O40 -","4","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie","Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers","CrystEngComm","2011","13","21","6373","","10.1039/c1ce05727h","","","0.71073","MoKα","","0.0447","0.0421","","","0.1032","0.1048","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206729","10.5156","0.0015","9.3977","0.0013","23.034","0.003","90","","99.967","0.002","90","","2241.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H21 Cd N5 O9 -","- C18 H17 Cd N5 O9 -","- C72 H68 Cd4 N20 O36 -","4","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie","Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers","CrystEngComm","2011","13","21","6373","","10.1039/c1ce05727h","","","0.71073","MoKα","","0.0414","0.037","","","0.128","0.135","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206730","10.6193","0.0003","15.0562","0.0004","16.2601","0.0004","108.694","0.004","95.323","0.003","109.312","0.004","2265.87","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 N12 O8 S4 -","- C41 H43 N12 O8 S4 -","- C82 H86 N24 O16 S8 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0722","0.0517","","","0.1257","0.1394","","","","","","1.032","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206731","8.386","0.0007","17.295","0.0012","15.4566","0.0011","90","","98.935","0.003","90","","2214.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N5 O4 S2 -","- C19 H22 N5 O4 S2 -","- C76 H88 N20 O16 S8 -","4","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.1077","0.0713","","","0.1812","0.2117","","","","","","1.039","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206732","9.0382","0.0002","9.5723","0.0002","12.537","0.0003","100.183","0.003","104.203","0.003","101.444","0.003","1001.16","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N5 O4 S2 -","- C17 H18 N5 O4 S2 -","- C34 H36 N10 O8 S4 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0735","0.0657","","","0.1788","0.1882","","","","","","1.069","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206733","11.8193","0.0004","12.8098","0.0005","26.3527","0.001","91.574","0.002","95.655","0.002","100.64","0.003","3897.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N6 O4 S2 -","- C24 H26 N6 O4 S2 -","- C144 H156 N36 O24 S12 -","6","3","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.1094","0.0802","","","0.2103","0.2389","","","","","","1.071","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206734","9.0972","0.0002","9.5762","0.0002","23.8891","0.0003","86.224","0.001","88.273","0.001","88.214","0.001","2074.79","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N10 O8 S4 -","- C36 H40 N10 O8 S4 -","- C72 H80 N20 O16 S8 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0832","0.0604","","","0.1459","0.1628","","","","","","1.043","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206735","8.308","0.0005","5.4673","0.0004","12.057","0.0013","90","","97.814","0.011","90","","542.57","0.08","295","2","295","2","","","100","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1776","0.1021","","","0.2432","0.287","","","","","","1.07","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206736","8.1397","0.0014","5.2541","0.0009","11.853","0.004","90","","98.2","0.03","90","","501.7","0.2","295","2","295","2","","","600000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.203","0.1185","","","0.2773","0.3446","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206737","8.953","0.0018","3.865","0.0008","13.081","0.003","90","","90.47","0.03","90","","452.63","0.17","295","2","295","2","","","1000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1197","0.0745","","","0.1431","0.1658","","","","","","1.048","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206738","9.047","0.0005","3.6626","0.0002","12.7481","0.0015","90","","92.304","0.01","90","","422.07","0.06","295","2","295","2","","","2000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1058","0.062","","","0.1389","0.1595","","","","","","1.048","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206739","9.0625","0.0006","3.5605","0.0002","12.5539","0.0017","90","","92.541","0.011","90","","404.68","0.07","295","2","295","2","","","3500000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1081","0.0618","","","0.1343","0.1613","","","","","","1.08","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206740","9.0721","0.0017","3.4383","0.0006","12.285","0.005","90","","92.72","0.03","90","","382.77","0.18","295","2","295","2","","","6200000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.0729","0.0494","","","0.1133","0.1258","","","","","","1.078","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206741","9.655","0.003","9.344","0.003","30.965","0.009","90","","93.859","0.005","90","","2787.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N3 O17 P4 Zn3 -","- C17 H15 N3 O17 P4 Zn3 -","- C68 H60 N12 O68 P16 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New zinc diphosphonates with bright tunable luminescence and 12-member ring channels","CrystEngComm","2011","13","21","6334","","10.1039/c1ce05759f","","","0.71073","MoKα","","0.0613","0.0545","","","0.1376","0.1427","","","","","","1.089","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206742","9.646","0.003","9.41","0.003","30.929","0.01","90","","93.338","0.005","90","","2802.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H27 N3 O17 P4 Zn3 -","- C16.5 H15 N3 O17 P4 Zn3 -","- C66 H60 N12 O68 P16 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New zinc diphosphonates with bright tunable luminescence and 12-member ring channels","CrystEngComm","2011","13","21","6334","","10.1039/c1ce05759f","","","0.71073","MoKα","","0.0854","0.0787","","","0.182","0.1864","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206743","18.863","0.008","5.722","0.003","21.51","0.009","90","","116.96","0.03","90","","2069.4","1.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TTFPhU-THF","","","- C18.96 H15.92 N2 O2.74 S4 -","- C18.96 H15.92 N2 O2.74 S4 -","- C75.84 H63.68 N8 O10.96 S16 -","4","1","","Murata, Tsuyoshi; Maki, Suguru; Ohmoto, Makoto; Miyazaki, Eigo; Umemoto, Yoshikazu; Nakasuji, Kazuhiro; Morita, Yasushi","Redox-active tubular frameworks with TTF: self-assemblies by complementary hydrogen-bonds and π-stacks of TTF-phenyluracil","CrystEngComm","2011","13","22","6880","","10.1039/c1ce05794d","","","0.71075","MoKa","","0.1107","0.0691","","","0.203","0.2219","","","","","","1.026","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206744","35.208","0.002","5.6195","0.0003","25.61","0.002","90","","126.721","0.002","90","","4061.5","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TTFPhU-pyridine","TTFPhU-pyridine","","- C21 H15 N3 O2 S4 -","- C21 H15 N3 O2 S4 -","- C168 H120 N24 O16 S32 -","8","1","","Murata, Tsuyoshi; Maki, Suguru; Ohmoto, Makoto; Miyazaki, Eigo; Umemoto, Yoshikazu; Nakasuji, Kazuhiro; Morita, Yasushi","Redox-active tubular frameworks with TTF: self-assemblies by complementary hydrogen-bonds and π-stacks of TTF-phenyluracil","CrystEngComm","2011","13","22","6880","","10.1039/c1ce05794d","","","0.71075","MoKÂ\/Ya","","0.1628","0.0688","","","0.1109","0.1335","","","","","","0.976","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206745","9.7727","0.0018","18.576","0.003","10.561","0.002","90","","98.148","0.003","90","","1897.9","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cd N2 O11 -","- C15 H8 Cd N2 O11 -","- C60 H32 Cd4 N8 O44 -","4","1","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","0.71073","MoKα","","0.0723","0.0447","","","0.1191","0.1314","","","","","","1.107","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206746","19.0321","0.0004","7.1489","0.0001","18.746","0.0004","90","","119.292","0.003","90","","2224.43","0.1","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H47 Cd3 N5 O25 -","- C34 H14 Cd3 N5 O25 -","- C68 H28 Cd6 N10 O50 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","1.54178","CuKα","","0.0304","0.0299","","","0.0867","0.0872","","","","","","1.158","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206747","30.3206","0.0018","7.247","0.0003","19.337","0.0009","90","","106.844","0.002","90","","4066.7","0.4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H82 Mn6 N8 O51 -","- C60 H28 Mn6 N8 O51 -","- C120 H56 Mn12 N16 O102 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","0.71073","MoKα","","0.08","0.0519","","","0.1312","0.1813","","","","","","1.076","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206748","5.707","0.003","8.886","0.005","9.503","0.005","71.733","0.005","79.378","0.009","84.199","0.009","449.3","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.1234","0.0849","","","0.2049","0.2317","","","","","","1.093","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206749","5.7108","0.0017","9.011","0.003","9.451","0.003","70.55","0.003","81.022","0.004","85.818","0.003","452.9","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0386","0.0333","","","0.0871","0.0908","","","","","","1.059","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206750","5.441","0.004","8.892","0.006","9.554","0.007","74.542","0.008","82.346","0.008","76.224","0.008","431.5","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0348","0.0325","","","0.0941","0.0971","","","","","","1.034","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206751","8.793","0.002","23.662","0.006","24.672","0.006","68.897","0.019","87.31","0.02","80.27","0.02","4720","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H118 Cl12 N18 O14 Zn6 -","- C138 H90 Cl12 N18 O14 Zn6 -","- C138 H90 Cl12 N18 O14 Zn6 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.1116","0.1045","","","0.2965","0.3034","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206752","38.903","0.005","38.903","0.005","16.736","0.003","90","","90","","120","","21936","6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C169 H142 Cl3 I24 N32 O12 Zn12 -","- C169.08 H118.08 Cl3 I24 N31.92 O12 Zn12 -","- C507.24 H354.24 Cl9 I72 N95.76 O36 Zn36 -","3","0.166667","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.1799","0.1571","","","0.3837","0.3959","","","","","","2.582","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206753","9.8708","0.0017","10.5239","0.0011","20.888","0.004","90","","101.277","0.013","90","","2127.9","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13.5 Cl I2 N4 O0.25 Zn -","- C20 H13 Cl I2 N4 O0.25 Zn -","- C80 H52 Cl4 I8 N16 O Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0382","0.0343","","","0.0844","0.0868","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206754","17.353","0.003","10.3148","0.0016","20.974","0.004","90","","90","","90","","3754.2","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 Cl3 N4 Zn -","- C20 H13 Cl3 N4 Zn -","- C160 H104 Cl24 N32 Zn8 -","8","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0351","0.0341","","","0.0823","0.0828","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206755","8.793","0.002","23.662","0.006","24.672","0.006","68.897","0.019","87.31","0.02","80.27","0.02","4720","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H90 Cl12 N18 Zn6 -","- C138 H90 Cl12 N18 Zn6 -","- C138 H90 Cl12 N18 Zn6 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0885","0.0816","","","0.2271","0.2349","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206757","10.4133","0.0009","11.8185","0.0011","14.8969","0.0013","90","","90.08","","90","","1833.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O6 Zn -","- C19 H17 N3 O6 Zn -","- C76 H68 N12 O24 Zn4 -","4","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0644","0.0498","","","0.1008","0.1075","","","","","","1.039","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206758","22.479","0.007","13.058","0.004","17.853","0.01","90","","119.695","0.004","90","","4552","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 N4 O15 Zn2 -","- C44 H40 N4 O15 Zn2 -","- C176 H160 N16 O60 Zn8 -","4","0.5","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0535","0.0419","","","0.1231","0.1354","","","","","","1.035","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206759","8.9846","0.0002","9.2383","0.0002","13.4394","0.0003","82.95","0.001","83.474","0.001","84.599","0.001","1096.25","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N4 O8 Zn -","- C19 H20 N4 O8 Zn -","- C38 H40 N8 O16 Zn2 -","2","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0434","0.036","","","0.1031","0.1087","","","","","","1.023","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206760","11.572","0.004","17.273","0.007","15.536","0.006","90","","98.17","0.007","90","","3074","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd2 N4 O11 -","- C28 H26 Cd2 N4 O11 -","- C112 H104 Cd8 N16 O44 -","4","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.1315","0.0794","","","0.1969","0.2288","","","","","","1.038","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206761","10.64","0.02","21.61","0.05","7.347","0.016","90","","133.67","","90","","1222","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Cl2 Cu N8 -","- C8 H6 Cl2 Cu N8 -","- C32 H24 Cl8 Cu4 N32 -","4","0.5","","Li, Bing; Chen, Shun-Wei; Chen, Zheng; Chen, Jie; Guo, Jian-Zhong; Liu, Li","The self-assembly of single-walled metal‒organic nanotubes constructed from CuCl2 chains and ditetrazoles","CrystEngComm","2011","13","22","6610","","10.1039/c1ce05921a","","","0.71073","MoKα","","0.0912","0.0618","","","0.0905","0.1061","","","","","","0.896","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206762","22.687","0.003","14.2059","0.0016","32.493","0.004","90","","90","","90","","10472","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Ni2(oba)2(bpy)3(H2O)4)","","","- C58 H48 N6 Ni2 O14 -","- C58 H48 N6 Ni2 O14 -","- C464 H384 N48 Ni16 O112 -","8","1","","Cheng, Xiao-Ning; Zhang, Wei-Xiong; Chen, Xiao-Ming","Metal ion modulation of polycatenation networks constructed by mixed rigid and flexible bridging ligands","CrystEngComm","2011","13","22","6613","","10.1039/c1ce05933e","","","0.71073","MoKα","","0.2084","0.0965","","","0.1893","0.2425","","","","","","1.016","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206763","27.956","0.002","27.956","0.002","16.8396","0.0013","90","","90","","90","","13160.8","1.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","(Co2(oba)2(bpy)3(H2O)2).bpy.H2O","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C544 H480 Co16 N64 O128 -","16","1","","Cheng, Xiao-Ning; Zhang, Wei-Xiong; Chen, Xiao-Ming","Metal ion modulation of polycatenation networks constructed by mixed rigid and flexible bridging ligands","CrystEngComm","2011","13","22","6613","","10.1039/c1ce05933e","","","0.71073","MoKα","","0.0965","0.0608","","","0.1538","0.1888","","","","","","1.055","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206764","7.0558","0.0003","13.6319","0.0003","14.1191","0.0005","106.205","0.002","95.292","0.002","104.352","0.002","1244.22","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","CAGLIARI 165","","","- C20 H13 Br7 N2 -","- C20 H13 Br7 N2 -","- C40 H26 Br14 N4 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Devillanova, Francesco A.; Hursthouse, Michael B.; Coles (née Huth), Susanne L.; Isaia, Francesco; Lippolis, Vito; Mancini, Annalisa","CT-adduct vs. pyridinium polyhalide salt formation in the reactions between polypyridyl donors and dihalogens: reactivity of 1,4-di-(3′-pyridylethynyl)benzene towards Br2 and I2","CrystEngComm","2011","13","21","6319","","10.1039/c1ce05954h","","","0.71073","MoKα","","0.071","0.0402","","","0.0795","0.0895","","","","","","1.02","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206765","26.67","0.005","8.4146","0.0017","13.05","0.003","90","","118.49","0.03","90","","2574","1.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2005slh0245/132","","- C20 H12 I5.5 N2 -","- C20 H12 I5.4 N2 -","- C80 H48 I21.6 N8 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Devillanova, Francesco A.; Hursthouse, Michael B.; Coles (née Huth), Susanne L.; Isaia, Francesco; Lippolis, Vito; Mancini, Annalisa","CT-adduct vs. pyridinium polyhalide salt formation in the reactions between polypyridyl donors and dihalogens: reactivity of 1,4-di-(3′-pyridylethynyl)benzene towards Br2 and I2","CrystEngComm","2011","13","21","6319","","10.1039/c1ce05954h","","","0.71073","MoKα","","0.0514","0.0469","","","0.1202","0.1233","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206766","12.94384","0.00017","12.94384","0.00017","12.94384","0.00017","90","","90","","90","","2168.65","0.05","4","","4","","","","100","","","","","4","I a -3 d","-I 4bd 2c 3","230","Lithium Lanthanum Zirconium Oxide","","","- La3 Li7 O12 Zr2 -","- Al0.1959 La3 Li6.06 O12 Zr2 -","- Al1.5672 La24 Li48.48 O96 Zr16 -","8","0.0833333","","Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen","Structure and dynamics of the fast lithium ion conductor ""Li(7)La(3)Zr(2)O(12)"".","Physical chemistry chemical physics : PCCP","2011","13","43","19378","19392","10.1039/c1cp22108f","powder diffraction","neutron","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.4249","","","","","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206767","9.2018","0.0004","17.8945","0.0008","16.4125","0.0007","90","","90.386","0.002","90","","2702.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl3 N7 Ru -","- C29 H22 Cl3 N7 Ru -","- C116 H88 Cl12 N28 Ru4 -","4","1","","Planas, Nora; Ono, Takashi; Vaquer, Lydia; Miró, Pere; Benet-Buchholz, Jordi; Gagliardi, Laura; Cramer, Christopher J.; Llobet, Antoni","Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes.","Physical chemistry chemical physics : PCCP","2011","13","43","19480","19484","10.1039/c1cp22814e","","","0.71073","MoKα","","0.0392","0.031","","","0.0864","0.0971","","","","","","1.184","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206768","14.081","0.0002","14.081","0.0002","27.303","0.0004","90","","90","","90","","5413.49","0.13","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C11 H24 I N -","- C11 H24 I N -","- C176 H384 I16 N16 -","16","1","","Belhocine, Tayeb; Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Nockemann, Peter; Puga, Alberto V.; Seddon, Kenneth R.; Srinivasan, Geetha; Whiston, Keith","Azepanium ionic liquids","Green Chemistry","2011","13","11","3137","","10.1039/c1gc15189d","","","0.71073","MoKα","","0.0518","0.0347","","","0.0947","0.1224","","","","","","1.144","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206769","9.7447","0.0015","10.72","0.002","21.453","0.004","90","","101.948","0.01","90","","2192.5","0.7","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 F6 N2 O4 S2 -","- C15 H28 F6 N2 O4 S2 -","- C60 H112 F24 N8 O16 S8 -","4","1","","Belhocine, Tayeb; Forsyth, Stewart A.; Gunaratne, H. Q. Nimal; Nieuwenhuyzen, Mark; Nockemann, Peter; Puga, Alberto V.; Seddon, Kenneth R.; Srinivasan, Geetha; Whiston, Keith","Azepanium ionic liquids","Green Chemistry","2011","13","11","3137","","10.1039/c1gc15189d","","","0.71073","MoKα","","0.0851","0.0655","","","0.1558","0.1721","","","","","","1.028","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206770","7.236","0.002","9.233","0.002","12.061","0.003","85.83","0.04","82.48","0.04","73.52","0.04","765.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Choudhary, Garima; Peddinti, Rama Krishna","Introduction of a clean and promising protocol for the synthesis of β-amino-acrylates and 1,4-benzoheterocycles: an emerging innovation","Green Chemistry","2011","13","11","3290","","10.1039/c1gc15701a","","","0.71073","MoKα","","0.0701","0.0597","","","0.1436","0.1495","","","","","","1.154","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206771","7.9077","0.001","10.7341","0.0013","17.41","0.002","90","","93.758","0.001","90","","1474.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Fan, Xuesen; He, Yan; Cui, Liangyan; Zhang, Xinying; Wang, Jianji","Tandem reaction of 1,2-allenic ketone with α-halo ketone or α-halo ester in water: an efficient and sustainable synthesis of 1,3,4′-tricarbonyl compounds","Green Chemistry","2011","13","11","3218","","10.1039/c1gc15707h","","","0.71073","MoKα","","0.0471","0.0379","","","0.109","0.1189","","","","","","1.05","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206772","10.5755","0.0004","22.6797","0.0009","8.8593","0.0004","90","","100.329","0.004","90","","2090.46","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 F N3 O2 -","- C27 H16 F N3 O2 -","- C108 H64 F4 N12 O8 -","4","1","","Michael Rajesh, Stephen; Bala, Balasubramanian Devi; Perumal, Subbu; Menéndez, J. Carlos","l-Proline-catalysed sequential four-component “on water” protocol for the synthesis of structurally complex heterocyclic ortho-quinones","Green Chemistry","2011","13","11","3248","","10.1039/c1gc15794a","","","0.71073","MoKα","","0.1464","0.0696","","","0.1789","0.2284","","","","","","1.045","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206773","5.5337","0.0012","7.9622","0.0019","16.321","0.003","101.835","0.006","94.236","0.007","93.967","0.006","699.3","0.3","93.1","","93.1","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 B F3 N2 O2 -","- C17 H10 B F3 N2 O2 -","- C34 H20 B2 F6 N4 O4 -","2","1","","Nishida, Jun-ichi; Fujita, Tomohiro; Fujisaki, Yoshihide; Tokito, Shizuo; Yamashita, Yoshiro","Diazaboroles with quinone units: hydrogen bonding network and n-type FETs involving a three-coordinate boron atom","Journal of Materials Chemistry","2011","21","41","16442","","10.1039/c1jm12650d","","","0.71075","MoKα","","","0.1265","","","","0.3359","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206774","11.23","0.006","5.578","0.003","11.275","0.006","90","","108.863","0.009","90","","668.3","0.6","396","2","396","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","0.5","","Li, Jinpeng; Takaishi, Shinya; Fujinuma, Naohiro; Endo, Katsutoshi; Yamashita, Masahiro; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Sawabe, Kosuke; Takenobu, Taishi; Iwasa, Yoshihiro","Enhancement of luminescence intensity in TMPY/perylene co-single crystals","Journal of Materials Chemistry","2011","21","44","17662","","10.1039/c1jm12977e","","","0.71073","MoKα","","0.0983","0.0585","","","0.1388","0.1576","","","","","","0.968","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206775","11.1814","0.0016","5.6056","0.0008","11.1539","0.0016","90","","109.102","0.003","90","","660.61","0.16","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17.24 -","- C20 H17.244 -","- C40 H34.488 -","2","0.5","","Li, Jinpeng; Takaishi, Shinya; Fujinuma, Naohiro; Endo, Katsutoshi; Yamashita, Masahiro; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Sawabe, Kosuke; Takenobu, Taishi; Iwasa, Yoshihiro","Enhancement of luminescence intensity in TMPY/perylene co-single crystals","Journal of Materials Chemistry","2011","21","44","17662","","10.1039/c1jm12977e","","","0.71073","MoKα","","0.0909","0.0771","","","0.1806","0.1891","","","","","","1.203","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206776","10.9144","0.0009","12.0768","0.001","12.3039","0.001","87.544","0.002","76.692","0.002","78.457","0.002","1546.3","0.2","114","2","114","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H48 N6 O12 Pr2 -","- C78 H48 N6 O12 Pr2 -","- C78 H48 N6 O12 Pr2 -","1","0.5","","Katkova, Marina A.; Pushkarev, Anatoly P.; Balashova, Tatyana V.; Konev, Alexey N.; Fukin, Georgy K.; Ketkov, Sergey Yu.; Bochkarev, Mikhail N.","Near-infrared electroluminescent lanthanide [Pr(iii), Nd(iii), Ho(iii), Er(iii), Tm(iii), and Yb(iii)] N,O-chelated complexes for organic light-emitting devices","Journal of Materials Chemistry","2011","21","41","16611","","10.1039/c1jm13023d","","","0.71073","MoKα","","0.0382","0.0302","","","0.0676","0.0697","","","","","","1.023","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206777","10.897","0.004","12.075","0.004","12.226","0.004","87.938","0.007","76.842","0.006","78.844","0.008","1536.8","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H54 N12 Nd2 O6 -","- C78 H54 N12 Nd2 O6 -","- C78 H54 N12 Nd2 O6 -","1","0.5","","Katkova, Marina A.; Pushkarev, Anatoly P.; Balashova, Tatyana V.; Konev, Alexey N.; Fukin, Georgy K.; Ketkov, Sergey Yu.; Bochkarev, Mikhail N.","Near-infrared electroluminescent lanthanide [Pr(iii), Nd(iii), Ho(iii), Er(iii), Tm(iii), and Yb(iii)] N,O-chelated complexes for organic light-emitting devices","Journal of Materials Chemistry","2011","21","41","16611","","10.1039/c1jm13023d","","","0.71073","MoKα","","0.1161","0.0842","","","0.1981","0.2134","","","","","","1.043","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206778","7.952","0.002","11.127","0.003","11.142","0.003","65.992","0.006","72.469","0.005","79.123","0.006","856.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H56 Cu N6 O2 S2 -","- C28 H56 Cu N6 O2 S2 -","- C28 H56 Cu N6 O2 S2 -","1","0.5","","Abdelhady, Ahmed Lutfi; Ramasamy, Karthik; Malik, Mohammad Azad; O'Brien, Paul; Haigh, Sarah J.; Raftery, James","New routes to copper sulfide nanostructures and thin films","Journal of Materials Chemistry","2011","21","44","17888","","10.1039/c1jm13277f","","","0.71073","MoKα","","0.1681","0.0471","","","0.0682","0.0896","","","","","","0.491","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206779","11.401","0.005","11.288","0.005","17.046","0.007","90","","90.54","0.03","90","","2193.6","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl O5 -","- C28 H21 Cl O5 -","- C112 H84 Cl4 O20 -","4","1","","Avó, João; Parola, A. Jorge; Lima, João C.; Pina, Fernando; Cunha-Silva, Luís","Phase transition thermochromism based on C‒H acidity of 4-alkylflavylium compounds in Pluronic F-127","Journal of Materials Chemistry","2011","21","41","16628","","10.1039/c1jm13348a","","","0.71073","MoKα","","0.0873","0.0787","","","0.165","0.168","","","","","","1.307","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206780","12.869","0.005","23.643","0.01","24.9","0.011","90","","90","","90","","7576","5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C12 H10 Cd N4 O4 -","- C12 H10 Cd N4 O4 -","- C192 H160 Cd16 N64 O64 -","16","0.5","","Pachfule, Pradip; Chen, Yifei; Jiang, Jianwen; Banerjee, Rahul","Experimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)","Journal of Materials Chemistry","2011","21","44","17737","","10.1039/c1jm13762j","","","0.71073","MoKα","","0.0682","0.0653","","","0.1824","0.1861","","","","","","1.165","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206781","12.819","0.002","23.058","0.004","23.654","0.004","90","","90","","90","","6992","2","200","2","200","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C12 H10 Co N4 O4 -","- C12 H10 Co N4 O4 -","- C192 H160 Co16 N64 O64 -","16","0.5","","Pachfule, Pradip; Chen, Yifei; Jiang, Jianwen; Banerjee, Rahul","Experimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)","Journal of Materials Chemistry","2011","21","44","17737","","10.1039/c1jm13762j","","","0.71073","MoKα","","0.0437","0.0335","","","0.1087","0.1108","","","","","","1.11","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206782","15.524","0.007","11.032","0.004","15.224","0.007","90","","111.847","0.004","90","","2420","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 B F4 N2 O6 -","- C26 H23 B F4 N2 O5 -","- C104 H92 B4 F16 N8 O20 -","4","1","","Sun, Jian-Ke; Jin, Xu-Hui; Cai, Li-Xuan; Zhang, Jie","Supramolecular isomer-dependent photochromism and emission color tuning of bipyridinium salts","Journal of Materials Chemistry","2011","21","44","17667","","10.1039/c1jm13791c","","","0.71073","MoKα","","0.1056","0.0607","","","0.1166","0.1262","","","","","","1.021","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206783","17.481","0.007","12.437","0.005","12.329","0.005","90","","92.152","0.007","90","","2678.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 B F4 N2 O7 -","- C26 H27 B F4 N2 O7 -","- C104 H108 B4 F16 N8 O28 -","4","1","","Sun, Jian-Ke; Jin, Xu-Hui; Cai, Li-Xuan; Zhang, Jie","Supramolecular isomer-dependent photochromism and emission color tuning of bipyridinium salts","Journal of Materials Chemistry","2011","21","44","17667","","10.1039/c1jm13791c","","","0.71073","MoKα","","0.0757","0.0576","","","0.0954","0.1027","","","","","","1","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206784","11.7534","0.0016","5.5051","0.0008","12.7118","0.0018","90","","103.726","0.001","90","","799","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H12 S3 -","- C20 H12 S3 -","- C40 H24 S6 -","2","1","","Shi, Jianwu; Li, Yabo; Jia, Ming; Xu, Li; Wang, Hua","Organic semiconductors based on annelated β-oligothiophenes and its application for organic field-effect transistors","Journal of Materials Chemistry","2011","21","44","17612","","10.1039/c1jm14383b","","","0.71073","MoKα","","0.0238","0.0224","","","0.0619","0.0633","","","","","","1.019","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206785","7.5473","0.0019","5.8673","0.0015","21.88","0.006","90","","95.38","0.004","90","","964.6","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H16 S3 -","- C24 H16 S3 -","- C48 H32 S6 -","2","1","","Shi, Jianwu; Li, Yabo; Jia, Ming; Xu, Li; Wang, Hua","Organic semiconductors based on annelated β-oligothiophenes and its application for organic field-effect transistors","Journal of Materials Chemistry","2011","21","44","17612","","10.1039/c1jm14383b","","","0.71073","MoKα","","0.0479","0.0445","","","0.1133","0.1156","","","","","","1.05","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206786","18.0736","0.0005","6.149","0.0002","23.5057","0.0006","90","","97.344","0.001","90","","2590.87","0.13","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Br2 Cl6 N4 O4 -","- C16 H22 Br2 Cl6 N4 O4 -","- C64 H88 Br8 Cl24 N16 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0494","0.0338","","","0.0728","0.0787","","","","","","1.035","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206787","6.7065","0.0002","18.5969","0.0006","7.1006","0.0002","90","","99.5","0.002","90","","873.44","0.05","123","2","123","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C14 H20 Br2 N6 O4 -","- C14 H20 Br2 N6 O4 -","- C28 H40 Br4 N12 O8 -","2","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.03","0.0279","","","0.068","0.0689","","","","","","1.065","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206788","16.8164","0.0007","16.8164","0.0007","14.3925","0.0009","90","","90","","90","","4070.1","0.3","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C22 H28 I4 N8 O8 -","- C22 H28 I4 N8 O8 -","- C88 H112 I16 N32 O32 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0676","0.0562","","","0.1228","0.1261","","","","","","1.197","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206789","30.8657","0.0008","6.1071","0.0001","8.2339","0.0002","90","","95.363","0.002","90","","1545.3","0.06","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 I2 N5 O4 -","- C11 H11 I2 N5 O4 -","- C44 H44 I8 N20 O16 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0207","0.0188","","","0.0437","0.0447","","","","","","1.159","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206790","9.9306","0.0007","18.8619","0.0013","15.0246","0.001","90","","97.401","0.001","90","","2790.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cd N5 O11 Zn -","- C25 H25 Cd N5 O11 Zn -","- C100 H100 Cd4 N20 O44 Zn4 -","4","1","","Gong, Xue; Ge, Ying-Ying; Fang, Mao; Gu, Zhi-Gang; Zheng, Sheng-Run; Li, Wei-Shan; Hu, She-Jun; Li, Shu-Bin; Cai, Yue-Peng","Construction of four 3d-4d/4d complexes based on salen-type schiff base ligands","CrystEngComm","2011","13","23","6911","","10.1039/c1ce05525a","","","0.71073","MoKα","","0.0419","0.0281","","","0.0622","0.0683","","","","","","1.028","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206791","16.6799","0.0012","10.6208","0.0008","21.4547","0.0016","90","","92.312","0.001","90","","3797.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cd2 Cl2 N6 O8 -","- C34 H40 Cd2 Cl2 N6 O8 -","- C136 H160 Cd8 Cl8 N24 O32 -","4","1","","Gong, Xue; Ge, Ying-Ying; Fang, Mao; Gu, Zhi-Gang; Zheng, Sheng-Run; Li, Wei-Shan; Hu, She-Jun; Li, Shu-Bin; Cai, Yue-Peng","Construction of four 3d-4d/4d complexes based on salen-type schiff base ligands","CrystEngComm","2011","13","23","6911","","10.1039/c1ce05525a","","","0.71073","MoKα","","0.0641","0.0408","","","0.0858","0.0979","","","","","","1.031","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206792","22.708","0.005","10.553","0.002","19.758","0.004","90","","90","","90","","4734.8","1.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H32 Cu N4 O8 -","- C34 H32 Cu N4 O8 -","- C136 H128 Cu4 N16 O32 -","4","1","","Yu, Fan; Li, Bao","Temperature-controlled synthesis of two novel coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2011","13","23","7025","","10.1039/c1ce05549f","","","0.71073","MoKα","","0.1426","0.0962","","","0.2501","0.2804","","","","","","0.919","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206793","10.0124","0.0006","14.1908","0.0009","21.6482","0.0016","90","","102.265","0.002","90","","3005.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H60 Cu4 N4 O24 -","- C47 H60 Cu4 N4 O24 -","- C94 H120 Cu8 N8 O48 -","2","0.5","","Yu, Fan; Li, Bao","Temperature-controlled synthesis of two novel coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2011","13","23","7025","","10.1039/c1ce05549f","","","0.71073","MoKα","","0.066","0.0486","","","0.1254","0.1346","","","","","","1.093","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206794","26.823","0.004","8.765","0.002","20.686","","90","0.003","115.94","0.02","90","","4373.4","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 Cu2 F12 N12 O12 Si2 -","- C26 H52 Cu2 F12 N12 O12 Si2 -","- C104 H208 Cu8 F48 N48 O48 Si8 -","4","0.5","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0746","0.0402","","","0.0737","0.0828","","","","","","0.957","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206795","10.1448","0.0017","16.441","0.002","13.18","0.002","90","","109.542","0.002","90","","2071.7","0.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl2 Cu3 N12 O20 -","- C30 H36 Cl2 Cu3 N12 O20 -","- C60 H72 Cl4 Cu6 N24 O40 -","2","0.5","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0378","0.0289","","","0.0635","0.0672","","","","","","0.999","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206796","7.6833","0.0018","9.5255","0.0019","13.551","0.004","85.33","0.007","87.06","0.006","80.222","0.007","973.4","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl Cu N5 O11 -","- C12 H22 Cl Cu N5 O11 -","- C24 H44 Cl2 Cu2 N10 O22 -","2","1","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0335","0.0277","","","0.0693","0.0714","","","","","","1.003","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206797","14.362","0.002","14.58","0.002","15.887","0.002","86.106","0.002","80.269","0.002","87.555","0.002","3269.6","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 Cd2 N10 O19 S2 -","- C64 H54.5 Cd2 N10 O19 S2 -","- C128 H109 Cd4 N20 O38 S4 -","2","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0695","0.0497","","","0.1387","0.1562","","","","","","1.028","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206798","24.122","0.003","12.739","0.0014","20.106","0.002","90","","108.832","0.001","90","","5847.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 N5 O6 S Zn -","- C32 H21 N5 O6 S Zn -","- C256 H168 N40 O48 S8 Zn8 -","8","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0643","0.0405","","","0.1182","0.1337","","","","","","1","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206799","11.8037","0.0004","16.6966","0.0006","12.9072","0.0004","90","","106.726","0.001","90","","2436.15","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cd N4 O6 S -","- C24 H22 Cd N4 O6 S -","- C96 H88 Cd4 N16 O24 S4 -","4","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0471","0.0428","","","0.1558","0.1591","","","","","","1.318","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206800","11.5434","0.0008","16.3088","0.0012","12.8836","0.001","90","","106.192","0.004","90","","2329.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd N4 O6 S -","- C23 H20 Cd N4 O6 S -","- C92 H80 Cd4 N16 O24 S4 -","4","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.1797","0.1723","","","0.5961","0.6109","","","","","","1.079","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206801","9.0116","0.0007","9.408","0.0006","18.0095","0.0014","83.76","0.006","76.517","0.007","79.61","0.006","1456.89","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (+/-) 2-methyl-1-butanol","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (+/-) 2-methyl-1-butanol","","- C30 H38 N2 O7 -","- C25 H26 N2 O6 -","- C50 H52 N4 O12 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.0884","0.0566","","","0.1785","0.1877","","","","","","0.986","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206802","8.9857","0.0002","9.4136","0.0002","17.9866","0.0004","83.674","0.002","76.62","0.002","79.597","0.002","1452.09","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (S)2-methyl-1-butanol","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (S)2-methyl-1-butanol","","- C60 H76 N4 O14 -","- C50 H51.17 N4 O12 -","- C50 H51.17 N4 O12 -","1","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.0727","0.0483","","","0.1363","0.1451","","","","","","0.903","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206803","11.4001","0.0011","17.4597","0.0016","11.6727","0.0009","90","","101.406","0.009","90","","2277.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine,","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine,","","- C25 H26 N2 O6 -","- C25 H26 N2 O6 -","- C100 H104 N8 O24 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.1122","0.0637","","","0.1799","0.1967","","","","","","1.048","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206804","11.263","0.0006","16.4363","0.0008","17.4733","0.0009","90","","90","","90","","3234.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylacetamide clathrate","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C160 H176 N8 O16 -","4","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.063","0.0457","","","0.1173","0.1281","","","","","","1.025","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206805","12.263","0.003","13.918","0.003","11.155","0.002","90","","115.55","0.03","90","","1717.7","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylacetamide clathrate polymorph","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C80 H88 N4 O8 -","2","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0452","0.0369","","","0.0929","0.0999","","","","","","1.046","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206806","7.6923","0.0011","9.1752","0.0013","12.7495","0.0018","77.96","0.003","76.026","0.003","66.76","0.002","795.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylformamide clathrate","","- C38 H40 N2 O4 -","- C38 H40 N2 O4 -","- C38 H40 N2 O4 -","1","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0499","0.0411","","","0.1068","0.1127","","","","","","1.036","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206807","7.546","0.0012","26.221","0.004","9.1335","0.0013","90","","113.272","0.002","90","","1660.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1, 4-bis (diphenylhydroxymethyl) benzene N-methylacetamide clathrate","","- C38 H40 N2 O4 -","- C37.99 H40 N1.99 O4 -","- C75.98 H80 N3.98 O8 -","2","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0786","0.0539","","","0.1304","0.1446","","","","","","1.023","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206808","8.276","0.0017","8.992","0.0018","18.972","0.004","84.68","0.03","89.23","0.03","67.92","0.03","1302.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene N-methylformamide clathrate","","- C34 H31 N O3 -","- C34 H31 N O3 -","- C68 H62 N2 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0694","0.0462","","","0.1059","0.1213","","","","","","1.042","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206809","10.3078","0.0006","10.8225","0.0006","11.6724","0.0006","77.501","0.002","77.642","0.001","88.44","0.001","1241.56","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene dihydrate","","- C32 H30 O4 -","- C32 H30 O4 -","- C64 H60 O8 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0432","0.0376","","","0.0945","0.099","","","","","","1.025","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206810","11.226","0.005","15.635","0.005","18.927","0.005","90.957","0.005","93.269","0.005","104.534","0.005","3209","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 N8 O40 Si W12 -","- C40 H40 N8 O40 Si W12 -","- C80 H80 N16 O80 Si2 W24 -","2","1","","Pang, Hai-jun; Ma, Hui-yuan; Peng, Jun; Zhang, Chun-jing; Zhang, Peng-peng; Su, Zhong-min","Study of a hydrothermal reaction system of copper, imidazole and polyoxometalates: selective assembly of a 3D porous metal‒organic pseudo-rotaxane framework and encapsulation of polyoxometalate clusters","CrystEngComm","2011","13","23","7079","","10.1039/c1ce05648d","","","0.71069","MoKα","","0.1208","0.0728","","","0.1769","0.2031","","","","","","1.051","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206811","41.293","0.004","20.8098","0.0006","21.1399","0.0006","90","","116.333","0.002","90","","16280.5","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Co N12 O40 W12 -","- C60 H52 Co N12 O40 W12 -","- C480 H416 Co8 N96 O320 W96 -","8","1","","Pang, Hai-jun; Ma, Hui-yuan; Peng, Jun; Zhang, Chun-jing; Zhang, Peng-peng; Su, Zhong-min","Study of a hydrothermal reaction system of copper, imidazole and polyoxometalates: selective assembly of a 3D porous metal‒organic pseudo-rotaxane framework and encapsulation of polyoxometalate clusters","CrystEngComm","2011","13","23","7079","","10.1039/c1ce05648d","","","0.71073","MoKα","","0.088","0.0546","","","0.1561","0.1758","","","","","","1.031","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206812","22.274","0.003","22.274","0.003","16.94","0.003","90","","90","","120","","7278.5","1.9","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C7 H16 Ag2 N8 O7 -","- C7 H10 Ag2 N8 O4 -","- C126 H180 Ag36 N144 O72 -","18","0.5","","Sun, Di; Li, Yun-Hua; Wu, Shu-Ting; Hao, Hong-Jun; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","An unprecedented (4,24)-connected metal‒organic framework sustained by nanosized Ag12 cuboctahedral node","CrystEngComm","2011","13","24","7311","","10.1039/c1ce05672g","","","0.71073","MoKα","","0.0212","0.0205","","","0.059","0.0594","","","","","","1.138","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206813","22.1713","0.0016","22.1713","0.0016","16.947","0.002","90","","90","","120","","7214.5","1.1","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C7 H10 Ag2 N8 O4 -","- C7 H10 Ag2 N8 O4 -","- C126 H180 Ag36 N144 O72 -","18","0.5","","Sun, Di; Li, Yun-Hua; Wu, Shu-Ting; Hao, Hong-Jun; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","An unprecedented (4,24)-connected metal‒organic framework sustained by nanosized Ag12 cuboctahedral node","CrystEngComm","2011","13","24","7311","","10.1039/c1ce05672g","","","0.71073","MoKα","","0.0304","0.0294","","","0.0788","0.0796","","","","","","1.084","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206814","39.005","0.006","17.221","0.003","16.817","0.003","90","","92.326","0.003","90","","11287","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 Cu3 N10 O22 -","- C50 H52 Cu3 N10 O22 -","- C400 H416 Cu24 N80 O176 -","8","1","","Han, Zheng-Bo; Zhang, Ming-Yang; Yuan, Da-Qiang; Fu, Shuai; Zhang, Guo-Xin; Wang, Xiao-Fang","Two unique self-penetrating metal‒organic frameworks based on flexible tripodal ligands, Cu(ii) and N-containing bridging ligands","CrystEngComm","2011","13","23","6945","","10.1039/c1ce05749a","","","0.71073","MoKα","","0.0808","0.0581","","","0.1488","0.1649","","","","","","1.018","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206815","19.352","0.003","10.6369","0.0014","26.107","0.003","90","","102.614","0.003","90","","5244.3","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cu N5 O9.5 -","- C22 H21 Cu N5 O9.5 -","- C176 H168 Cu8 N40 O76 -","8","1","","Han, Zheng-Bo; Zhang, Ming-Yang; Yuan, Da-Qiang; Fu, Shuai; Zhang, Guo-Xin; Wang, Xiao-Fang","Two unique self-penetrating metal‒organic frameworks based on flexible tripodal ligands, Cu(ii) and N-containing bridging ligands","CrystEngComm","2011","13","23","6945","","10.1039/c1ce05749a","","","0.71073","MoKα","","0.0875","0.0742","","","0.2073","0.2188","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206816","17.379","0.005","9.906","0.005","22.043","0.005","90","0.005","90","0.005","90","0.005","3795","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H8 In N0 O8 -","- C17 H8 In O8 -","- C68 H32 In4 O32 -","4","0.5","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","1.54184","CuKα","","0.0851","0.0695","","","0.1774","0.1812","","","","","","1.027","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206817","26.6496","0.0005","11.4204","0.0002","17.5511","0.0003","90","","90","","90","","5341.66","0.16","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H24 Co2 N4 O8 -","- C37 H24 Co2 N4 O8 -","- C148 H96 Co8 N16 O32 -","4","1","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","1.54184","CuKα","","0.0508","0.0355","","","0.0713","0.0756","","","","","","1.002","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206818","14.687","0.005","18.524","0.005","16.622","0.005","90","0.005","90","0.005","90","0.005","4522","2","200","2","200","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C41 H28 N4 O8 Zn2 -","- C41 H28 N4 O8 Zn2 -","- C164 H112 N16 O32 Zn8 -","4","","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.049","0.0425","","","0.1106","0.1159","","","","","","1.04","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206819","19.8876","0.0004","19.8876","0.0004","19.1704","0.0006","90","","90","","120","","6566.4","0.3","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C69 H51 Co4 N7 O18 -","- C69 H51 Co4 N7 O18 -","- C207 H153 Co12 N21 O54 -","3","1","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.0883","0.0732","","","0.2113","0.2179","","","","","","1.05","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206820","15.2175","0.0019","29.825","0.003","21.3743","0.0018","90","","120.124","0.006","90","","8390.8","1.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H288 Cu12 Eu8 N32 O88 -","- C384 H288 Cu12 Eu8 N32 O88 -","- C384 H288 Cu12 Eu8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0589","0.0484","","","0.0913","0.0962","","","","","","1.111","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206821","15.211","0.003","29.834","0.006","21.305","0.008","90","","120.04","0.02","90","","8370","4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H284 Cu12 Gd8 N32 O88 -","- C384 H288 Cu12 Gd8 N32 O88 -","- C384 H288 Cu12 Gd8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0792","0.056","","","0.1016","0.1132","","","","","","1.073","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206822","15.144","0.002","30.066","0.005","21.804","0.003","90","","120.455","0.007","90","","8558","2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H292 Cu12 La8 N32 O88 -","- C384 H284 Cu12 La8 N32 O88 -","- C384 H284 Cu12 La8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.1152","0.0729","","","0.1721","0.2019","","","","","","1.019","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206823","15.166","0.002","29.955","0.004","21.596","0.002","90","","120.309","0.007","90","","8470","1.9","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H288 Cu12 N32 O88 Pr8 -","- C384 H288 Cu12 N32 O88 Pr8 -","- C384 H288 Cu12 N32 O88 Pr8 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0775","0.0581","","","0.1143","0.1238","","","","","","1.104","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206824","15.2027","0.0019","29.845","0.004","21.4094","0.0018","90","","120.174","0.006","90","","8397.8","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H292 Cu12 N32 O88 Sm8 -","- C384 H288 Cu12 N32 O88 Sm8 -","- C384 H288 Cu12 N32 O88 Sm8 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0706","0.056","","","0.1195","0.1284","","","","","","1.102","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206825","13.036","0.003","34.721","0.006","23.393","0.005","90","","92.699","0.004","90","","10576","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H95 La2 N2 O17 S6 -","- C86 H72 La2 N2 O17 S6 -","- C344 H288 La8 N8 O68 S24 -","4","1","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.1127","0.0591","","","0.138","0.1567","","","","","","0.918","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206826","9.8233","0.0005","13.2039","0.0007","15.9391","0.0008","113.863","0.001","96.308","0.001","92.677","0.001","1869.74","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 La2 O17 S6 -","- C78 H80 La2 O17 S6 -","- C78 H80 La2 O17 S6 -","1","0.5","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.0438","0.0323","","","0.0761","0.083","","","","","","0.941","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206827","12.668","0.002","14.585","0.003","17.323","0.003","113.754","0.002","109.044","0.002","90.263","0.002","2734.7","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H122 La2 N6 O22 S6 -","- C93 H111 La2 N5 O20 S6 -","- C93 H111 La2 N5 O20 S6 -","1","0.5","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.0446","0.0379","","","0.1101","0.1152","","","","","","1.043","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206828","5.4867","0.0002","42.1629","0.0016","9.0036","0.0003","90","","90.131","0.004","90","","2082.84","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0682","0.0648","","","0.1597","0.1614","","","","","","1.109","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206829","5.22808","0.00005","9.49693","0.00009","16.70757","0.00016","90","","95.6549","0.0009","90","","825.506","0.014","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N4 O2 -","- C16 H26 N4 O2 -","- C32 H52 N8 O4 -","2","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0286","0.0271","","","0.0705","0.0717","","","","","","1.047","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206830","13.9923","0.0002","14.3096","0.0002","32.6979","0.0005","90","","90","","90","","6546.91","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37.5 N4 O10.75 S Zn -","- C24 H20 N4 O10.25 S Zn -","- C192 H160 N32 O82 S8 Zn8 -","8","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","0.71073","MoKα","","0.079","0.0636","","","0.1622","0.168","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206831","13.37139","0.00006","13.37139","0.00006","41.4227","0.0002","90","","90","","120","","6413.9","0.05","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C37 H46 Br2 N6 O5.5 Zn -","- C37 H41.5 Br2 N6 O5.5 Zn -","- C222 H249 Br12 N36 O33 Zn6 -","6","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0253","0.0249","","","0.077","0.0772","","","","","","1.135","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206832","11.63262","0.00009","11.63262","0.00009","39.8175","0.0003","90","","90","","120","","4666.16","0.06","173","2","173","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H42.17 N6 O8.58 S Zn -","- C24 H39 N6 O8.58 S Zn -","- C144 H234 N36 O51.48 S6 Zn6 -","6","0.333333","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0324","0.0324","","","0.0928","0.0928","","","","","","1.038","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206833","39.03","0.002","11.8817","0.0002","27.633","0.0013","90","","123.78","0.007","90","","10651.2","1.2","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76 H154 Br6 N16 O21 Zn3 -","- C64 H80 Br6 N16 O8 Zn3 -","- C256 H320 Br24 N64 O32 Zn12 -","4","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0441","0.0388","","","0.1085","0.1254","","","","","","1.106","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206834","10.1765","0.0001","16.0472","0.0002","20.1566","0.0002","90","","95.619","0.001","90","","3275.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N7 O5 Zn -","- C35 H25 N7 O5 Zn -","- C140 H100 N28 O20 Zn4 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","1.54184","CuKα","","0.0634","0.0472","","","0.1346","0.1505","","","","","","0.921","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206835","21.4447","0.001","16.3875","0.0006","10.392","0.0005","90","","90","","90","","3652","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H28 N7 O9 S0 Zn2 -","- C36 H24 N7 O9 Zn2 -","- C144 H96 N28 O36 Zn8 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71073","MoKα","","0.1046","0.0497","","","0.1022","0.1156","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206836","17.797","0.0004","7.73","0.0002","26.675","0.0006","90","","93.466","0.002","90","","3662.99","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H53 N14 O23 Zn4 -","- C74 H46 N14 O23 Zn4 -","- C148 H92 N28 O46 Zn8 -","2","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.0648","0.038","","","0.0765","0.0808","","","","","","0.89","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206837","11.3128","0.0008","29.2377","0.0018","10.1543","0.0005","90","","109.132","0.006","90","","3173.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Mn N7 O5 -","- C35 H27 Mn N7 O5 -","- C140 H108 Mn4 N28 O20 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71073","MoKα","","0.1287","0.0418","","","0.0403","0.0468","","","","","","0.806","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206838","13.889","0.0013","15.758","0.001","21.96","0.0012","91.108","0.005","107.134","0.006","115.87","0.007","4071.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H140 Cu4 N28 O31 -","- C145 H110 Cu4 N28 O31 -","- C145 H110 Cu4 N28 O31 -","1","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.1324","0.0642","","","0.151","0.1693","","","","","","0.824","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206839","10.644","0.0005","10.723","0.0005","16.145","0.0009","92.596","0.004","103.076","0.004","96.167","0.004","1779.94","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H42 Co3 N14 O12 -","- C78 H30 Co3 N14 O12 -","- C78 H30 Co3 N14 O12 -","1","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.15","0.0663","","","0.1415","0.1603","","","","","","0.836","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206840","7.275","0.0008","7.5246","0.0006","13.636","0.0013","100.54","0.001","99.328","0.001","108.548","0.002","676.03","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C24 H26 N10 O8 -","2","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0628","0.0395","","","0.0965","0.1143","","","","","","1.018","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206841","7.3001","0.001","9.2759","0.0012","11.6302","0.0015","83.155","0.001","87.769","0.002","88.654","0.002","781.19","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cd Cl2 N5 O3 -","- C12 H11 Cd Cl2 N5 O3 -","- C24 H22 Cd2 Cl4 N10 O6 -","2","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0349","0.0265","","","0.0579","0.0641","","","","","","1.064","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206842","11.9014","0.0012","11.9685","0.0013","15.4255","0.0016","90.413","0.001","93.298","0.001","108.853","0.002","2075.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 Hg N6 O4 -","- C15 H18 Cl2 Hg N6 O4 -","- C60 H72 Cl8 Hg4 N24 O16 -","4","2","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.1549","0.0945","","","0.236","0.273","","","","","","1.003","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206843","7.5944","0.0008","12.6407","0.0013","16.4624","0.0016","90","","93.97","0.001","90","","1576.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 N5 O3 Zn -","- C12 H11 Cl2 N5 O3 Zn -","- C48 H44 Cl8 N20 O12 Zn4 -","4","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0633","0.0368","","","0.0767","0.085","","","","","","0.944","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206844","11.8049","0.0012","10.08","0.001","13.9721","0.0015","90","","105.108","0.001","90","","1605.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 K N6 O6 -","- C12 H11 K N6 O6 -","- C48 H44 K4 N24 O24 -","4","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.1382","0.0629","","","0.1482","0.2036","","","","","","1.029","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206845","11.4997","0.0003","11.122","0.0004","22.5876","0.0006","90","","91.285","0.002","90","","2888.22","0.15","193","2","193","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.1025","0.0505","","","0.1167","0.1377","","","","","","1.033","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206846","22.9274","0.0008","21.1264","0.0008","23.173","0.0009","90","","90.436","0.002","90","","11224.1","0.7","193","2","193","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 Ni O4 -","- C34 H26 N4 Ni O4 -","- C544 H416 N64 Ni16 O64 -","16","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.2078","0.0562","","","0.0949","0.123","","","","","","0.745","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206847","11.532","0.0013","11.0426","0.001","22.891","0.003","90","","90.073","0.004","90","","2915","0.6","193","2","193","2","","","","","","","synthesis as described","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O4 Zn -","- C34 H26 N4 O4 Zn -","- C136 H104 N16 O16 Zn4 -","4","1","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.1044","0.0486","","","0.0962","0.1161","","","","","","1.006","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206848","23.0164","0.0006","20.789","0.0006","23.3891","0.0007","90","","90.592","0.002","90","","11190.8","0.5","180","2","180","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cu N4 O4 -","- C34 H26 Cu N4 O4 -","- C544 H416 Cu16 N64 O64 -","16","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.123","0.0481","","","0.108","0.125","","","","","","0.878","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206849","5.6828","0.0003","7.6675","0.0004","16.4091","0.0009","96.408","0.004","95.194","0.004","95.251","0.004","703.87","0.07","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.114","0.0652","","","0.1495","0.1763","","","","","","1.026","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206850","10.4417","0.0003","7.8434","0.0003","12.2703","0.0004","90","","111.164","0.001","90","","937.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N O6 U -","- C7 H4 N O6 U -","- C28 H16 N4 O24 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0278","0.0213","","","0.0512","0.054","","","","","","1.044","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206851","8.4634","0.0003","13.0284","0.0005","11.8917","0.0006","90","","96.821","0.001","90","","1301.95","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 N2 O6 U -","- C12 H8 N2 O6 U -","- C48 H32 N8 O24 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0433","0.0341","","","0.0721","0.0754","","","","","","1.088","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206852","6.289","0.0017","7.949","0.002","8.347","0.002","79.554","0.004","87.819","0.004","79.199","0.004","403.09","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 N O5 U -","- C6 H4 N O5 U -","- C12 H8 N2 O10 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0307","0.0276","","","0.0596","0.0603","","","","","","1.152","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206853","9.1584","0.0009","9.666","0.0009","11.1105","0.0011","90","","103.353","0.002","90","","956.97","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N2 O7 U -","- C6 H5 N2 O7 U -","- C24 H20 N8 O28 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0229","0.0207","","","0.0482","0.049","","","","","","1.076","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206854","13.5463","0.0015","6.6022","0.0007","8.3418","0.0009","90","","90","","90","","746.05","0.14","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H3 N2 O5 U -","- C5 H3 N2 O5 U -","- C20 H12 N8 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0176","0.0142","","","0.028","0.0289","","","","","","1.042","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206855","6.2323","0.0012","6.779","0.0013","10.594","0.002","104.12","0.003","93.875","0.003","91.976","0.003","432.47","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 O6 U -","- C5 H3 N2 O6 U -","- C10 H6 N4 O12 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0457","0.0367","","","0.0861","0.0896","","","","","","1.035","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206856","7.1576","0.0005","29.301","0.003","7.6537","0.0007","90","","91.699","0.004","90","","1604.5","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-hydroxynaphthalene-8-carbaldehyde cpd 15","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.106","0.095","","","0.2343","0.2426","","","","","","1.168","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206857","14.0278","0.0003","7.9798","0.0002","15.6964","0.0004","90","","96.197","0.002","90","","1746.77","0.07","120","2","120","2","","","","","","","","3","P 1 a 1","P -2ya","7","","1,4-Di(methoxy)triptycene-9,10-dicarbaldehyde cpd 20","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","2","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.104","0.0616","","","0.1128","0.1326","","","","","","1.087","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206858","9.0118","0.0003","9.6549","0.0004","11.6967","0.0005","80.718","0.003","87.782","0.003","65.542","0.002","913.81","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dihydroxytriptycene-9,10-dicarbaldehyde acetonitrile solvate cpd 10.CH3CN","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C48 H34 N2 O8 -","2","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.0845","0.0554","","","0.1316","0.1468","","","","","","1.043","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206859","9.3754","0.0007","9.6285","0.0007","11.447","0.0009","69.585","0.004","69.8","0.004","77.586","0.004","903.6","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1,4-Dihydroxytriptycene-9,10-dicarbaldehyde ethyl acetate solvate cpd 19.0.75ethyl acetate","","- C25 H20 O5.5 -","- C22 H14 O4 -","- C44 H28 O8 -","2","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.1319","0.0697","","","0.184","0.2062","","","","","","0.961","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206860","21.837","0.002","9.2974","0.001","19.231","0.002","90","","100.008","0.003","90","","3845","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-Bis(1',3'-dioxolan-2'-yl)-1,4,4a,9a-tetrahydroanthracen-1,4-dione cpd 22","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.058","0.0426","","","0.1058","0.1149","","","","","","1.022","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206861","8.875","0.005","11.139","0.005","14.195","0.005","104.562","0.005","91.046","0.005","106.311","0.005","1297.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Co2 Mo8 N12 O28 -","- C30 H36 Co2 Mo8 N12 O28 -","- C30 H36 Co2 Mo8 N12 O28 -","1","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Wu, Hua; Yang, Jin","pH-Dependent assembly of two octamolybdate hybrid materials: A self-threading CdSO4-type framework and a 3D 4-connected framework","CrystEngComm","2011","13","23","7037","","10.1039/c1ce06000g","","","0.71069","MoKα","","0.0572","0.0395","","","0.0713","0.078","","","","","","1.012","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206862","11.7854","0.0006","15.6884","0.0008","19.6861","0.0011","90","","96.816","0.005","90","","3614.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Co Mo4 N10 O14 -","- C25 H35 Co Mo4 N10 O14 -","- C100 H140 Co4 Mo16 N40 O56 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Wu, Hua; Yang, Jin","pH-Dependent assembly of two octamolybdate hybrid materials: A self-threading CdSO4-type framework and a 3D 4-connected framework","CrystEngComm","2011","13","23","7037","","10.1039/c1ce06000g","","","0.71073","MoKα","","0.0828","0.0493","","","0.0895","0.1087","","","","","","1.067","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206863","12.891","0.004","13.631","0.004","19.268","0.006","90","","102.985","0.004","90","","3299.1","1.7","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cu2 N10 O48 Si W12 -","- C36 H26 Cu2 N10 O48 Si W12 -","- C72 H52 Cu4 N20 O96 Si2 W24 -","2","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.0968","0.0439","","","0.0558","0.0627","","","","","","0.787","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206864","11.861","0.004","13.626","0.004","17.618","0.006","106.194","0.005","97.216","0.005","91.492","0.005","2707.2","1.5","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H48 Cu4 N24 O49 Si W12 -","- C72 H48 Cu4 N24 O49 Si W12 -","- C72 H48 Cu4 N24 O49 Si W12 -","1","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.1578","0.0612","","","0.1248","0.1432","","","","","","0.768","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206865","12.129","0.004","13.776","0.005","14.004","0.005","118.696","0.004","96.783","0.004","104.497","0.004","1907.3","1.2","293","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H32 Cu4 N16 O44 Si W12 -","- C48 H32 Cu4 N16 O44 Si W12 -","- C48 H32 Cu4 N16 O44 Si W12 -","1","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.1132","0.103","","","0.2442","0.2477","","","","","","1.328","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206866","17.837","0.005","17.837","0.005","81.03","0.05","90","","90","","120","","22326","16","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C144 H126 N18 O44 Zn8 -","- C144 H126 N18 O44 Zn8 -","- C864 H756 N108 O264 Zn48 -","6","0.166667","","Rajput, Lalit; Hong, Seunghee; Liu, Xinfang; Oh, Minhak; Kim, Dongwook; Lah, Myoung Soo","An unprecedented twofold interpenetrated layered metal‒organic framework with a MoS2-H topology","CrystEngComm","2011","13","23","6926","","10.1039/c1ce06038d","","","0.71073","MoKα","","0.1608","0.1257","","","0.2593","0.2772","","","","","","1.189","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206867","5.0838","0.0004","17.9622","0.0015","10.4409","0.0007","90","","98.445","0.003","90","","943.09","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-chloro-aspirin (form II)","2-acetyloxy-5-chlorobenzoic acid","","- C9 H7 Cl O4 -","- C9 H7 Cl O4 -","- C36 H28 Cl4 O16 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0388","0.0311","","","0.0817","0.0862","","","","","","1.046","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206868","5.094","0.0002","17.8642","0.0007","10.6736","0.0004","90","","98.935","0.002","90","","959.51","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-bromo-aspirin (form II)","2-acetyloxy-5-bromobenzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0242","0.0203","","","0.0498","0.0516","","","","","","1.027","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206869","10.5412","0.0007","12.453","0.0008","13.5129","0.001","90","","90","","90","","1773.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Cl-aspirin anhydride (form I)","","","- C18 H12 Cl2 O7 -","- C18 H12 Cl2 O7 -","- C72 H48 Cl8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0398","0.0299","","","0.0611","0.0647","","","","","","1.013","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206870","10.7838","0.0003","14.2206","0.0004","12.3774","0.0004","90","","107.635","0.003","90","","1808.9","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Cl-aspirin anhydride (form II)","","","- C18 H12 Cl2 O7 -","- C18 H12 Cl2 O7 -","- C72 H48 Cl8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0564","0.0396","","","0.0899","0.1019","","","","","","1.033","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206871","10.5579","0.0005","12.5176","0.0007","13.7487","0.0008","90","","90","","90","","1817.02","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Br-aspirin anhydride (form I)","","","- C18 H12 Br2 O7 -","- C18 H12 Br2 O7 -","- C72 H48 Br8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0206","0.0181","","","0.0387","0.0391","","","","","","0.985","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206872","16.9944","0.0007","7.9432","0.0004","14.033","0.0007","90","","105.825","0.002","90","","1822.52","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Br-aspirin anhydride (form II)","","","- C18 H12 Br2 O7 -","- C18 H12 Br2 O7 -","- C72 H48 Br8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0346","0.0228","","","0.0466","0.0495","","","","","","1.014","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206873","9.9176","0.0009","9.9757","0.001","11.5419","0.0017","95.485","0.007","109.352","0.007","117.882","0.004","908.3","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","5-Me-aspirin anhydride (form I)","","","- C20 H18 O7 -","- C20 H18 O7 -","- C40 H36 O14 -","2","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.093","0.0454","","","0.095","0.1132","","","","","","1.003","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206874","20.749","0.002","8.3818","0.0008","10.6736","0.001","90","","97.44","0.005","90","","1840.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Me-aspirin anhydride (form II)","","","- C20 H18 O7 -","- C20 H18 O7 -","- C80 H72 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0855","0.0401","","","0.0766","0.0855","","","","","","0.904","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206875","8.096","0.0002","9.838","0.0002","15.262","0.0005","90","","103.069","0.0009","90","","1184.11","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O S -","- C11 H13 N3 O S -","- C44 H52 N12 O4 S4 -","4","1","","Stefankiewicz, Artur R.; De Cian, André; Harrowfield, Jack","Helix-helix interactions ‒ homochirality and heterochirality","CrystEngComm","2011","13","24","7207","","10.1039/c1ce06081c","","","0.71073","MoKα","","0.0634","0.0473","","","0.1244","0.1346","","","","","","1.046","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7206876","10.198","0.0008","8.731","0.0012","17.664","0.002","90","","90","","90","","1572.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Stefankiewicz, Artur R.; De Cian, André; Harrowfield, Jack","Helix-helix interactions ‒ homochirality and heterochirality","CrystEngComm","2011","13","24","7207","","10.1039/c1ce06081c","","","0.71073","MoKα","","0.1859","0.0773","","","0.1358","0.1672","","","","","","1.05","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206877","4.8314","0.0002","15.4009","0.0006","15.6421","0.0005","90","","90","","90","","1163.9","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C48 H52 N12 S4 -","4","1","","Lumpi, Daniel; Stöger, Berthold; Hametner, Christian; Kubel, Frank; Reider, Georg; Hagemann, Hans; Karpfen, Alfred; Fröhlich, Johannes","Modified ene‒yne compounds: a novel functional material with nonlinear optical properties","CrystEngComm","2011","13","24","7194","","10.1039/c1ce06093g","","","0.71073","MoKα","","0.0429","0.0295","","","0.0293","0.0301","","","","1.43","1.43","1.25","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206878","6.316","0.002","6.316","0.002","16.446","0.006","90","","90","","90","","656.1","0.4","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- B H3 O10 P2 Ti -","- B H3 O10 P2 Ti -","- B4 H12 O40 P8 Ti4 -","4","0.125","","Shi, Hengzhen; Feng, Yuquan; Huang, Qunzeng; Qiu, Dongfang; Li, Min; Liu, Kecheng","Ti[BP2O7(OH)3]: The first titanium borophosphate containing novel anionic partial structure","CrystEngComm","2011","13","24","7185","","10.1039/c1ce06233f","","","0.71073","MoKα","","0.0776","0.0694","","","0.1906","0.1955","","","","","","1.176","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206879","11.0819","0.0006","7.9976","0.0004","9.985","0.0005","90","","94.048","0.001","90","","882.75","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Isonicotinamide","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C36 H36 N12 O6 -","6","3","","Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E.","Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation","CrystEngComm","2011","13","23","6923","","10.1039/c1ce06320k","","","0.71073","MoKα","","0.0385","0.0352","","","0.0918","0.094","","","","","","1.168","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206880","5.1923","0.0011","9.466","0.003","12.259","0.003","90","","91.217","0.007","90","","602.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E.","Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation","CrystEngComm","2011","13","23","6923","","10.1039/c1ce06320k","","","0.71073","MoKα","","0.0548","0.0373","","","0.092","0.1005","","","","","","1.353","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206881","8.343","0.002","12.798","0.003","13.793","0.004","91.36","0.004","90.644","0.004","93.478","0.004","1469.5","0.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","TMA-(CF3SO2)2N","","","- C6 H12 F6 N2 O4 S2 -","- C6 H12 F6 N2 O4 S2 -","- C24 H48 F24 N8 O16 S8 -","4","2","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.1528","0.0803","","","0.2088","0.2577","","","","","","1.02","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206882","10.1328","0.0008","17.3243","0.0014","10.287","0.0008","90","","105.36","0.001","90","","1741.3","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TMA-(C2F5SO2)2N","","","- C8 H12 F10 N2 O4 S2 -","- C8 H12 F10 N2 O4 S2 -","- C32 H48 F40 N8 O16 S8 -","4","1","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.0771","0.0556","","","0.1475","0.1658","","","","","","1.03","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206883","5.8107","0.0005","11.1323","0.001","8.4816","0.0007","90","","90.683","0.001","90","","548.61","0.08","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H12 F2 N2 O4 S2 -","- C4 H12 F2 N2 O4 S2 -","- C8 H24 F4 N4 O8 S4 -","2","0.5","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.0558","0.0443","","","0.1162","0.1247","","","","","","1.061","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206884","8.8848","0.0006","10.8203","0.0007","11.8758","0.0007","90","","90","","90","","1141.69","0.13","90","2","90","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C8 H21 I N2 -","- C8 H21 I N2 -","- C32 H84 I4 N8 -","4","0.25","","Beran, Gregory J. O.; Chronister, Eric L.; Daemen, Luke L.; Moehlig, Aaron R.; Mueller, Leonard J.; Oomens, Jos; Rice, Andrew; Santiago-Dieppa, David R; Tham, Fook S.; Theel, Kelly; Yaghmaei, Sepideh; Morton, Thomas Hellman","Vibrations of a chelated proton in a protonated tertiary diamine.","Physical chemistry chemical physics : PCCP","2011","13","45","20380","20392","10.1039/c1cp22065a","","","0.71073","MoKα","","0.023","0.02","","","0.0437","0.0446","","","","","","1.091","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206885","13.698","0.005","16.631","0.005","14.562","0.005","90","0.005","95.825","0.005","90","0.005","3300.3","1.9","150","","150","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C53 H28 Cu2 O10 -","- C26.5 H14 Cu O5 -","- C106 H56 Cu4 O20 -","4","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril; Moizan-Baslé, Virginie; Ouvry, Jean","A 9,9′-spirobifluorene based Metal‒Organic Framework: synthesis, structure analysis and gas sorption properties","Journal of Materials Chemistry","2011","21","46","18715","","10.1039/c1jm12859k","","","0.71069","MoKα","","0.0789","0.049","","","0.1395","0.1504","","","","","","0.958","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206886","6.77318","0.00008","6.77318","","10.00456","0.0002","90","","90","","120","","397.479","0.009","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","","","- Ba Hf O9 Si3 -","- Ba Hf O9 Si3 -","- Ba2 Hf2 O18 Si6 -","2","0.166667","","Wang, De-Yin; Wu, Yun-Chen; Chen, Teng-Ming","Synthesis, crystal structure, and photoluminescence of a novel blue-green emitting phosphor: BaHfSi3O9:Eu2+","Journal of Materials Chemistry","2011","21","45","18261","","10.1039/c1jm13438h","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08928","","2.12","","","","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206887","7.554","0.0009","6.4305","0.001","8.6265","0.0011","90","","107.468","0.014","90","","399.72","0.1","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C14 H22 N6 O2 -","2","0.5","","Janikowski, Judith; Forsyth, Craig; MacFarlane, Douglas R.; Pringle, Jennifer M.","Novel ionic liquids and plastic crystals utilizing the cyanate anion","Journal of Materials Chemistry","2011","21","48","19219","","10.1039/c1jm14055h","","","0.71073","MoKα","","0.0644","0.0527","","","0.1453","0.1536","","","","","","1.163","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206888","10.844","0.005","10.972","0.005","15.617","0.005","85.742","0.005","82.695","0.005","82.424","0.005","1823.8","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Ni O8.25 P S4 -","- C36 H32 Ni O8.25 P S4 -","- C72 H64 Ni2 O16.5 P2 S8 -","2","1","","Begum, Ameerunisha; Sonkar, Sumit Kumar; Saxena, Manav; Sarkar, Sabyasachi","Nanocomposites of carbon quantum dots‒nickel(ii) dithiolene as nanolights","Journal of Materials Chemistry","2011","21","48","19210","","10.1039/c1jm14073f","","","0.71069","MoKα","","0.2066","0.0999","","","0.2311","0.3109","","","","","","0.939","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206889","10.297","0.001","10.716","0.002","13.955","0.002","72.22","0.01","70.45","0.01","74.13","0.01","1356.3","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 F6 Fe N4 O4 P -","- C24 H34 F6 Fe N4 O4 P -","- C48 H68 F12 Fe2 N8 O8 P2 -","2","1","","Tissot, Antoine; Bertoni, Roman; Collet, Eric; Toupet, Loic; Boillot, Marie-Laure","The cooperative spin-state transition of an iron(iii) compound [FeIII(3-MeO-SalEen)2]PF6: thermal- vs. ultra-fast photo-switching","Journal of Materials Chemistry","2011","21","45","18347","","10.1039/c1jm14163e","","","0.71073","MoKα","","0.0925","0.0384","","","0.0679","0.077","","","","","","0.781","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206890","10.314","0.001","10.8755","0.0008","14.027","0.001","74.896","0.006","69.384","0.008","75.921","0.007","1401.6","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 F6 Fe N4 O4 P -","- C24 H34 F6 Fe N4 O4 P -","- C48 H68 F12 Fe2 N8 O8 P2 -","2","1","","Tissot, Antoine; Bertoni, Roman; Collet, Eric; Toupet, Loic; Boillot, Marie-Laure","The cooperative spin-state transition of an iron(iii) compound [FeIII(3-MeO-SalEen)2]PF6: thermal- vs. ultra-fast photo-switching","Journal of Materials Chemistry","2011","21","45","18347","","10.1039/c1jm14163e","","","0.71073","MoKα","","0.1168","0.0414","","","0.0834","0.0941","","","","","","0.722","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206891","10.485","0.001","11.015","0.009","14.28","0.01","74.61","0.09","69.29","0.09","75.29","0.07","1463.7","1.9","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 F6 Fe N4 O4 P -","- C24 H34 F6 Fe N4 O4 P -","- C48 H68 F12 Fe2 N8 O8 P2 -","2","1","","Tissot, Antoine; Bertoni, Roman; Collet, Eric; Toupet, Loic; Boillot, Marie-Laure","The cooperative spin-state transition of an iron(iii) compound [FeIII(3-MeO-SalEen)2]PF6: thermal- vs. ultra-fast photo-switching","Journal of Materials Chemistry","2011","21","45","18347","","10.1039/c1jm14163e","","","0.71073","MoKα","","0.3536","0.062","","","0.0576","0.0802","","","","","","0.674","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206892","6.8155","0.0014","11.734","0.002","11.551","0.002","90","","103.23","0.03","90","","899.3","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H8 N2 O4 -","- C9 H7 N2 O4 -","- C36 H28 N8 O16 -","4","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long; Li, Ying-Zhou","Stacking-induced white-light and blue-light phosphorescence from purely organic radical materials","Journal of Materials Chemistry","2011","21","46","18520","","10.1039/c1jm14690d","","","0.71073","MoKα","","0.1529","0.0923","","","0.233","0.2717","","","","","","1.069","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206893","30.7287","0.0012","30.7287","0.0012","23.757","0.0012","90","","90","","120","","19427.2","1.5","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C240 H264 Br24 O24 S24 -","- C240 H264 Br24 O24 S24 -","- C720 H792 Br72 O72 S72 -","3","0.0833333","","Hamada, Fumio; Yamada, Manabu; Kondo, Yoshihiko; Ito, Shin-ichi; Akiba, Uichi","Channel structure for guest inclusion based on hexameric assembly of thiacalix[4]arene analogue","CrystEngComm","2011","13","23","6920","","10.1039/c1ce05813d","","","0.71075","MoKα","","0.0501","0.0377","","","0.0811","0.0862","","","","","","1.071","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7210453","25.9317","0.0014","9.034","0.0005","19.4396","0.001","90","","100.535","0.002","90","","4477.3","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 F3 N3 Na O7 S -","- C17 H23 F3 N3 Na O7 S -","- C136 H184 F24 N24 Na8 O56 S8 -","8","2","","Remenar, Julius F.; Tawa, Mark D.; Peterson, Matthew L.; Almarsson, Örn; Hickey, Magali B.; Foxman, Bruce M.","Celecoxib sodium salt: engineering crystal forms for performance","CrystEngComm","2011","13","4","1081","1089","10.1039/c0ce00475h","","","0.71073","MoKα","","0.0623","0.0431","","0.1163","0.1065","0.1163","","","","","","0.984","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7210454","5.5","","5.128","","21.95","","90","","97.37","","90","","613.963","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Schmidt, Christiane; Yürüdü, Caner; Wachsmuth, Anika; Ulrich, Joachim","Modeling the morphology of benzoic acid crystals grown from aqueous solution","CrystEngComm","2011","13","4","1159","1169","10.1039/c0ce00540a","","","","","","","","","","","","","","","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210455","4.0813","0.0002","10.7319","0.0007","22.59","0.0011","90","","90","","90","","989.44","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NmoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0848","0.0486","","","0.1074","0.1248","","","","","","1.04","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210456","4.803","0.0004","19.1318","0.0018","10.8759","0.0008","90","","99.276","0.005","90","","986.32","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NooF","","","- C12 H8.97 Cl0.03 F N2 O -","- C12 H8.968 Cl0.032 F N2 O -","- C48 H35.872 Cl0.128 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MolybdenumKα","","0.1325","0.0568","","","0.1227","0.1535","","","","","","0.995","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210457","5.426","0.0002","7.4928","0.0003","24.0074","0.0009","80.9694","0.0018","90.041","0.002","90.243","0.002","963.94","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","NppF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","2","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.076","0.051","","","0.1233","0.142","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210458","11.0723","0.0007","12.8655","0.0008","7.9596","0.0003","90","","114.444","0.004","90","","1032.22","0.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpmF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0553","0.0418","","","0.1021","0.1133","","","","","","1.038","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210459","10.9275","0.0005","12.8165","0.0004","8.2422","0.0004","90","","117.13","0.002","90","","1027.33","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0616","0.0506","","","0.1237","0.1353","","","","","","1.062","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210460","9.7585","0.0003","9.7644","0.0002","21.17","0.0006","96.1397","0.0017","95.7365","0.0014","89.9958","0.0018","1995.47","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","NmpF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","4","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.076","0.0504","","","0.1105","0.1242","","","","","","1.039","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210461","8.8514","0.0006","12.1628","0.001","9.6489","0.0005","90","","105.823","0.004","90","","999.42","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NmmF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0746","0.0444","","","0.1023","0.1181","","","","","","1.05","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210462","8.0622","0.0009","6.0665","0.0004","20.392","0.002","90","","95.296","0.004","90","","993.1","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NopF","","","- C12 H8.96 Cl0.04 F N2 O -","- C12 H8.958 Cl0.042 F N2 O -","- C48 H35.832 Cl0.168 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.142","0.0634","","","0.1333","0.1656","","","","","","1.029","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210463","5.7289","0.0002","23.2077","0.0013","15.1001","0.0009","90","","95.26","0.003","90","","1999.17","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NomF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","2","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.19","0.0742","","","0.162","0.223","","","","","","1.067","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210464","9.122","0.005","9.56","0.005","14.181","0.005","102.828","0.005","102.183","0.005","107.82","0.005","1094.9","0.9","294","2","294","2","","","","","","","","4","P -1","-P 1","2","1,3-Bis(4,6-dimethyl sulfanyl-1H-pyrazolo(3,4-d) pyrimidin-1- yl)-2-methylenyl propane","1,3-Bis(4,6-dimethyl sulfanyl-1H-pyrazolo[3,4-d] pyrimidin-1-yl)-2-methylenyl propane","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C36 H40 N16 S8 -","2","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71069","MoKα","","0.0397","0.0369","","","0.099","0.1017","","","","","","1.033","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210465","16.357","0.003","10.062","0.002","13.506","0.003","90","","90","","90","","2222.9","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C72 H80 N32 S16 -","4","0.5","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0426","0.0371","","","0.1023","0.1066","","","","","","1.065","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210466","9.3786","0.0017","23.547","0.004","18.543","0.003","90","","90.617","0.003","90","","4094.8","1.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","","- C28 H22 N2 -","- C28 H22 N2 -","- C224 H176 N16 -","8","4","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0954","0.0627","","","0.1473","0.2046","","","","","","1.117","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210467","10.1518","0.001","8.7585","0.0009","24.492","0.003","90","","101.961","","90","","2130.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(9H-carbazol-9-yl)-3-(4,6-dimethylsulfanyl-1H-pyrazolo (3,4- d)pyrimidin-1-yl)-2-methylenepropane","1-(9H-carbazol-9-yl)-3-(4,6-dimethylsulfanyl-1H-pyrazolo [3,4-d]pyrimidin-1-yl)-2-methylenepropane","","- C23 H21 N5 S2 -","- C23 H21 N5 S2 -","- C92 H84 N20 S8 -","4","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0639","0.0434","","","0.1127","0.1224","","","","","","1.053","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210468","8.5125","0.0005","10.6289","0.0007","11.9705","0.0008","70.965","0.003","81.944","0.003","86.356","0.003","1013.56","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1-(9H-carbazol-9-yl)-3-(4-methoxy-6-methylsulfanyl-1H- pyrazolo (3,4-d)pyrimidin-1-yl)-2-methylenepropane","1-(9H-carbazol-9-yl)-3-(4-methoxy-6-methylsulfanyl-1H-pyrazolo [3,4-d]pyrimidin-1-yl)-2-methylenepropane","","- C23 H21 N5 O S -","- C23 H21 N5 O S -","- C46 H42 N10 O2 S2 -","2","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0566","0.0437","","","0.1174","0.127","","","","","","1.035","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210469","11.3","0.006","19.44","0.011","21.466","0.013","90","","90","","90","","4715","5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H42 Ca5 N12 O32 -","- C30 H42 Ca5 N12 O32 -","- C120 H168 Ca20 N48 O128 -","4","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0982","0.0786","","","0.2105","0.2263","","","","","","1.099","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210470","9.993","0.005","20.997","0.01","22.177","0.011","90","","90","","90","","4653","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cd3 N6 O16 -","- C15 H12 Cd3 N6 O16 -","- C120 H96 Cd24 N48 O128 -","8","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0791","0.0623","","","0.1474","0.1685","","","","","","1.109","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210471","10.005","0.005","10.433","0.005","14.519","0.007","94.798","0.004","109.001","0.007","99.623","0.007","1397.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H64 Co3 N12 Na2 O42 -","- C30 H24 Co3 N12 Na2 O42 -","- C30 H24 Co3 N12 Na2 O42 -","1","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0651","0.051","","","0.1531","0.1688","","","","","","1.091","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210472","20.063","0.008","12.64","0.005","21.168","0.008","90","","90.742","0.007","90","","5368","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H59 Cu4 N12 Na O40 -","- C30 H24 Cu4 N12 Na O40 -","- C120 H96 Cu16 N48 Na4 O160 -","4","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.1173","0.1","","","0.2311","0.2497","","","","","","1.023","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210473","8.4701","0.0017","8.969","0.0018","9.4258","0.0019","95.7","0.03","115.11","0.03","95.39","0.03","637.8","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Ce N O12 -","- C9 H10 Ce N O12 -","- C18 H20 Ce2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.028","0.0243","","","0.0536","0.0546","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210474","6.759","0.0014","13.978","0.003","15.517","0.004","90","","113.3","0.03","90","","1346.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 K N O12 Sm -","- C9 H9 K N O12 Sm -","- C36 H36 K4 N4 O48 Sm4 -","4","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0688","0.0587","","","0.1377","0.1428","","","","","","1.13","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210475","8.4864","0.0017","8.9615","0.0018","9.4369","0.0019","95.53","0.03","115.45","0.03","95.45","0.03","637.6","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O12 Pr -","- C9 H10 N O12 Pr -","- C18 H20 N2 O24 Pr2 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0309","0.0275","","","0.0602","0.0609","","","","","","1.023","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210476","8.4917","0.0017","9.0243","0.0018","9.0255","0.0018","78.37","0.03","65.06","0.03","84.04","0.03","614.1","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 La N O12 -","- C9 H10 La N O12 -","- C18 H20 La2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0268","0.0239","","","0.0558","0.0571","","","","","","1.131","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210477","8.69","0.006","8.933","0.006","9.369","0.006","77.65","0.03","80.88","0.02","71.042","0.019","668.8","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O12 Tb -","- C9 H10 N O12 Tb -","- C18 H20 N2 O24 Tb2 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0467","0.0424","","","0.1301","0.1312","","","","","","1.036","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210478","8.718","0.003","8.963","0.003","9.39","0.004","77.884","0.016","80.88","0.015","71.22","0.015","675.9","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Eu N O12 -","- C9 H10 Eu N O12 -","- C18 H20 Eu2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0603","0.0474","","","0.1047","0.1091","","","","","","0.939","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210481","14.3152","0.0016","18.995","0.002","12.6405","0.0014","90","","90","","90","","3437.2","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H32 Cu2 N4 O16 -","- C32 H32 Cu2 N4 O16 -","- C128 H128 Cu8 N16 O64 -","4","0.5","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0769","0.0403","","","0.0985","0.1163","","","","","","1.007","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210482","9.8482","0.0011","20.186","0.002","16.4951","0.0015","90","","123.748","0.005","90","","2726.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cu N4 O9 -","- C25 H22 Cu N4 O9 -","- C100 H88 Cu4 N16 O36 -","4","1","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0876","0.0555","","","0.1497","0.1623","","","","","","1.067","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210483","22.415","0.003","19.083","0.003","12.1863","0.0016","90","","115.048","0.003","90","","4722.4","1.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H28 Cu2 N4 O16 -","- C34 H28 Cu2 N4 O16 -","- C136 H112 Cu8 N16 O64 -","4","0.5","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0738","0.0421","","","0.0892","0.0958","","","","","","0.962","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210484","9.8482","0.0011","20.186","0.002","13.7326","0.0016","90","","92.857","0.002","90","","2726.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cu N4 O8.5 -","- C25 H21 Cu N4 O8.5 -","- C100 H84 Cu4 N16 O34 -","4","1","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0891","0.0568","","","0.1663","0.1889","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210485","11.695","0.004","17.175","0.006","7.861","0.003","90","","91.037","0.007","90","","1578.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Br N O2 Pb -","- C6 H4 Br N O2 Pb -","- C48 H32 Br8 N8 O16 Pb8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Reversible solid state structural transformation of a polyhapto lead(ii) polymeric chain to a tetrahapto lead(ii) two-dimensional network by thermal dehydration with no change in nanoplate morphology","CrystEngComm","2011","13","6","2047","","10.1039/c0ce00404a","","","0.71073","MoKα","","0.1169","0.0972","","","0.2662","0.2907","","","","","","1.103","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210486","6.0675","0.0003","6.9454","0.0003","19.8525","0.0008","90","","90","","90","","836.61","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br N O3 Pb -","- C6 H6 Br N O3 Pb -","- C24 H24 Br4 N4 O12 Pb4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Reversible solid state structural transformation of a polyhapto lead(ii) polymeric chain to a tetrahapto lead(ii) two-dimensional network by thermal dehydration with no change in nanoplate morphology","CrystEngComm","2011","13","6","2047","","10.1039/c0ce00404a","","","0.71073","MoKα","","0.0493","0.049","","","0.114","0.1141","","","","","","1.231","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210487","11.7518","0.0009","16.3475","0.0012","23.4131","0.0018","90","","90","","90","","4498","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 Cu2 N8 O14 -","- C38 H44 Cu2 N8 O14 -","- C152 H176 Cu8 N32 O56 -","4","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.1135","0.0782","","","0.159","0.175","","","","","","1.073","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210488","8.2119","0.0008","8.7239","0.0009","14.2024","0.0014","90.923","0.002","96.679","0.002","99.903","0.002","994.82","0.17","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","1","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0415","0.0382","","","0.0832","0.0846","","","","","","1.01","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210489","11.7263","0.001","19.1424","0.001","21.0208","0.0014","90","","90","","90","","4718.5","0.6","223","2","223","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H32 Cu N4 O10 -","- C16 H32 Cu N4 O10 -","- C128 H256 Cu8 N32 O80 -","8","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.053","0.0461","","","0.101","0.1038","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210490","6.9339","0.0005","8.4735","0.0006","15.3249","0.001","75.124","0.002","82.496","0.002","80.882","0.002","855.41","0.1","223","2","223","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C34 H44 N8 O8 -","2","2","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0806","0.0617","","","0.1327","0.1532","","","","","","1.049","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210491","6.78048","0.00006","18.42351","0.00023","5.86807","0.00006","90","","90","","90","","733.041","0.013","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 Ca O5 -","- C5 Ca O5 -","- C20 Ca4 O20 -","4","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.06356","","3.66","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210492","20.659","0.008","20.659","0.008","8.637","0.002","90","","90","","120","","3192.4","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","BioMIL-2ht","","","- C5 H6 Ca O4 -","- C5 H6 Ca O4 -","- C90 H108 Ca18 O72 -","18","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","","","0.71073","MoKα","","0.202","0.0699","","","0.1438","0.1829","","","","","","0.891","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210493","24.2864","0.001","11.3217","0.0005","16.9668","0.0007","90","","107.988","0.002","90","","4437.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O11 -","- C22 H26 N2 O11 -","- C176 H208 N16 O88 -","8","1","","Elbagerma, M. A.; Edwards, H. G. M.; Munshi, T.; Scowen, I. J.","Identification of a new cocrystal of citric acid and paracetamol of pharmaceutical relevance","CrystEngComm","2011","13","6","1877","","10.1039/c0ce00461h","","","0.71073","MoKα","","0.0839","0.0474","","","0.0811","0.092","","","","","","1.011","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210494","10.568","0.002","13.363","0.003","13.111","0.003","90","","112.4","0.03","90","","1711.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H47 Co2 N4 O9.5 -","- C34 H47 Co2 N4 O9.5 -","- C68 H94 Co4 N8 O19 -","2","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.044","0.0355","","","0.0913","0.1054","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210495","7.4338","0.0006","20.8333","0.0016","22.0157","0.0015","90","","90.768","0.001","90","","3409.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 Cd N4 O8 -","- C34 H46 Cd N4 O8 -","- C136 H184 Cd4 N16 O32 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0681","0.0544","","","0.1394","0.169","","","","","","1.092","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210496","7.146","0.0004","20.3903","0.0011","22.8153","0.0012","90","","91.79","0.004","90","","3322.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 N4 O8 Zn -","- C34 H46 N4 O8 Zn -","- C136 H184 N16 O32 Zn4 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.1072","0.0636","","","0.1593","0.1924","","","","","","1.028","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210497","21.088","0.004","12.195","0.002","12.63","0.003","90","","120.74","0.03","90","","2791.7","1.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H34 Co2 N4 O7 -","- C26 H34 Co2 N4 O7 -","- C104 H136 Co8 N16 O28 -","4","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0663","0.0478","","","0.1092","0.12","","","","","","1.025","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210498","12.623","0.003","12.253","0.003","18.244","0.004","90","","95.69","0.03","90","","2807.9","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H34 N4 O7 Zn2 -","- C26 H34 N4 O7 Zn2 -","- C104 H136 N16 O28 Zn8 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0642","0.0487","","","0.129","0.1475","","","","","","1.058","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210499","10.309","0.004","13.977","0.005","15.65","0.006","71.099","0.006","84.32","0.005","72.49","0.006","2034.5","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cd2 N8 O14 -","- C40 H28 Cd2 N8 O14 -","- C80 H56 Cd4 N16 O28 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0554","0.0346","","","0.081","0.0987","","","","","","1.1","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210500","29.7088","0.001","29.7088","0.001","10.3135","0.0007","90","","90","","90","","9102.8","0.8","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H14 Cd N4 O5 -","- C21 H14 Cd N4 O5 -","- C336 H224 Cd16 N64 O80 -","16","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0796","0.0563","","","0.1334","0.1488","","","","","","1.081","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210501","21.225","0.002","17.3202","0.0018","21.869","0.002","90","","101.709","0.002","90","","7872.2","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H68 Cd4 N12 O33 -","- C72 H62 Cd4 N12 O33 -","- C288 H248 Cd16 N48 O132 -","4","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0358","0.0294","","","0.0679","0.0714","","","","","","1.028","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210502","23.9052","0.0009","16.4095","0.0006","10.3284","0.0004","90","","102.334","0.001","90","","3958","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd2 N4 O13 -","- C36 H40 Cd2 N4 O13 -","- C144 H160 Cd8 N16 O52 -","4","0.5","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0386","0.0282","","","0.0688","0.0749","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210503","12.912","0.0018","14.868","0.002","17.797","0.003","99.296","0.002","107.664","0.002","100.141","0.003","3119.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 Cd2 N12 O23 -","- C52 H38 Cd2 N12 O23 -","- C104 H76 Cd4 N24 O46 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.1199","0.0543","","","0.1419","0.1806","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210504","10.2623","0.0006","10.887","0.0006","10.9849","0.0007","70.711","0.001","73.583","0.001","70.18","0.001","1069.47","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Cd N5 O8 -","- C20 H11 Cd N5 O8 -","- C40 H22 Cd2 N10 O16 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0298","0.0261","","","0.0719","0.0745","","","","","","1.09","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210505","16.2942","0.0003","15.3925","0.0004","50.4286","0.0013","90","","96.817","0.002","90","","12558.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C168 H364 Cl24 N24 Nd8 O74 -","- C168 H312 Cl24 N24 Nd8 O74 -","- C336 H624 Cl48 N48 Nd16 O148 -","2","0.5","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1024","0.0574","","","0.0634","0.0686","","","","","","1.004","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210506","41.1341","0.0003","41.1341","0.0003","41.1341","0.0003","90","","90","","90","","69599.5","0.9","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C168 H478 Cl36 Dy12 N24 O131 -","- C168 H312 Cl36 Dy12 N24 O131 -","- C1344 H2496 Cl288 Dy96 N192 O1048 -","8","0.333333","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1547","0.0585","","","0.0889","0.0959","","","","","","0.962","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210507","14.5606","0.0003","27.2041","0.0005","29.0262","0.0005","90","","90.814","0.002","90","","11496.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H150 Cl9 La3 N10 O66 -","- C70 H130 Cl9 La3 N10 O66 -","- C280 H520 Cl36 La12 N40 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0575","0.0374","","","0.082","0.0846","","","","","","1.08","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210508","14.524","0.0002","27.1221","0.0005","28.9263","0.0005","90","","90.599","0.002","90","","11394.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H150 Cl9 N10 Nd3 O66 -","- C70 H130 Cl9 N10 Nd3 O66 -","- C280 H520 Cl36 N40 Nd12 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1096","0.0874","","","0.2051","0.2126","","","","","","1.064","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210509","13.1386","0.0002","26.5893","0.0006","26.6992","0.0005","90","","90","","90","","9327.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 Dy4 N6 O66 -","- C42 H82 Cl8 Dy4 N6 O66 -","- C168 H328 Cl32 Dy16 N24 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0574","0.0382","","","0.0481","0.0503","","","","","","0.825","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210510","13.0726","0.0002","26.5154","0.0004","26.5492","0.0003","90","","90","","90","","9202.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 N6 O66 Yb4 -","- C42 H82 Cl8 N6 O66 Yb4 -","- C168 H328 Cl32 N24 O264 Yb16 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0359","0.0286","","","0.0462","0.0471","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210511","6.7993","0.0004","19.135","0.001","12.7204","0.0006","90","","94.261","0.002","90","","1650.41","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","- C60 H88 Ag4 N16 -","2","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0566","0.0315","","","0.0511","0.054","","","","","","1.065","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210512","6.4924","0.0004","13.0691","0.0008","13.8015","0.0007","90.224","0.002","95.777","0.002","98.978","0.002","1150.6","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H68 Ag2 N8 -","- C42 H68 Ag2 N8 -","- C42 H68 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0594","0.0393","","","0.0959","0.1032","","","","","","1.028","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210513","8.417","0.003","10.601","0.004","38.544","0.011","90","","95.129","0.011","90","","3425","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H116 Au2 N8 -","- C66 H116 Au2 N8 -","- C132 H232 Au4 N16 -","2","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.153","0.0572","","","0.0814","0.1001","","","","","","1.042","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210514","6.5286","0.0013","12.843","0.003","13.746","0.003","89.31","0.03","83.39","0.03","81.26","0.03","1131.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H68 Au2 N8 -","- C42 H68 Au2 N8 -","- C42 H68 Au2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0512","0.034","","","0.069","0.0733","","","","","","1.021","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210515","6.6481","0.0003","11.9345","0.0006","22.3115","0.001","78.366","0.003","88.925","0.004","85.506","0.003","1728.53","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H116 Ag2 N8 -","- C66 H116 Ag2 N8 -","- C66 H116 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.1269","0.0556","","","0.0999","0.1155","","","","","","1.111","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210516","6.5879","0.0002","11.3381","0.0004","12.2853","0.0004","112.829","0.001","91.858","0.001","104.274","0.001","811.18","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0303","0.0225","","","0.0552","0.0587","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210517","9.2183","0.0007","9.5015","0.0007","24.6412","0.0018","83.832","0.003","81.225","0.002","76.505","0.003","2068.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H72 Cl2 N4 O2 -","- C38 H72 Cl2 N4 O2 -","- C76 H144 Cl4 N8 O4 -","2","1","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.1236","0.0562","","","0.1197","0.1466","","","","","","1.025","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210518","8.7957","0.0003","26.8487","0.0008","10.6539","0.0004","90","","105.745","0.002","90","","2421.55","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-Diphenyl-ethane-1,2-dione monooxime","1,2-Diphenyl-ethane-1,2-dione monooxime","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","2","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0888","0.0494","","","0.1509","0.1757","","","","","","0.953","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210519","6.9211","0.0003","7.0512","0.0002","22.9837","0.0007","90","","93.948","0.002","90","","1118.99","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0725","0.0603","","","0.1561","0.1663","","","","","","1.135","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210520","6.015","0.001","7.3126","0.0013","31.207","0.006","90","","90","","90","","1372.6","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0861","0.0733","","","0.1662","0.1709","","","","","","1.097","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210521","19.219","0.003","11.4306","0.0012","19.51","0.003","90","","90","","90","","4286","1","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C176 H240 N16 O32 -","8","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0774","0.0443","","","0.1007","0.1111","","","","","","1.066","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210522","11.6509","0.0011","8.9059","0.001","14.749","0.0015","90","","109.79","0.001","90","","1440","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Hg2 N2 O8 -","- C14 H6 Hg2 N2 O8 -","- C56 H24 Hg8 N8 O32 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0348","0.0259","","","0.0576","0.0602","","","","","","0.967","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210523","8.3973","0.0017","20.078","0.004","13.076","0.004","90","","125.08","0.02","90","","1804.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Hg N3 O6 -","- C19 H15 Hg N3 O6 -","- C76 H60 Hg4 N12 O24 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0438","0.0386","","","0.1187","0.1227","","","","","","1.089","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210524","17.0665","0.0019","6.853","0.001","15.3784","0.0014","90","","116.652","0.001","90","","1607.5","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Ca Hg N3 O7 S2 -","- C9 H9 Ca Hg N3 O7 S2 -","- C36 H36 Ca4 Hg4 N12 O28 S8 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0445","0.0287","","","0.0624","0.0681","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210525","30.74","0.003","6.8408","0.0005","15.7361","0.0018","90","","100.679","0.002","90","","3251.8","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Hg N3 O7 S2 Sr -","- C9 H9 Hg N3 O7 S2 Sr -","- C72 H72 Hg8 N24 O56 S16 Sr8 -","8","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0557","0.0443","","","0.1116","0.1176","","","","","","0.997","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210526","30.645","0.003","7.0037","0.0009","15.9747","0.0019","90","","100.309","0.002","90","","3373.3","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Ba Hg N3 O7 S2 -","- C9 H9 Ba Hg N3 O7 S2 -","- C72 H72 Ba8 Hg8 N24 O56 S16 -","8","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.071","0.0366","","","0.0526","0.0589","","","","","","0.849","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210527","12.1516","0.0005","8.0418","0.0003","18.4027","0.0008","90","","98.503","0.001","90","","1778.56","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O6 Zn -","- C16 H16 N2 O6 Zn -","- C64 H64 N8 O24 Zn4 -","4","1","","Wang, Chih-Chieh; Chung, Wen-Chun; Lin, Hui-Wun; Dai, Shuen-Chieh; Shiu, Jia-Shiuan; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Lee, William","Assembly of two Zinc(ii)-squarate coordination polymers with noncovalent and covalent bonds derived from flexible ligands, 1,2-bis(4-pyridyl)ethane (dpe)","CrystEngComm","2011","13","6","2130","","10.1039/c0ce00644k","","","0.71073","MoKα","","0.0578","0.0485","","","0.0924","0.0962","","","","","","1.213","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210528","8.0228","0.0003","8.1119","0.0003","19.1586","0.0008","78.6019","0.0014","87.3341","0.0013","88.6256","0.0014","1220.79","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N2 O15 Zn2 -","- C22 H23 N2 O15 Zn2 -","- C44 H46 N4 O30 Zn4 -","2","1","","Wang, Chih-Chieh; Chung, Wen-Chun; Lin, Hui-Wun; Dai, Shuen-Chieh; Shiu, Jia-Shiuan; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Lee, William","Assembly of two Zinc(ii)-squarate coordination polymers with noncovalent and covalent bonds derived from flexible ligands, 1,2-bis(4-pyridyl)ethane (dpe)","CrystEngComm","2011","13","6","2130","","10.1039/c0ce00644k","","","0.71073","MoKα","","0.0533","0.045","","","0.1079","0.1178","","","","","","1.196","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210529","12.2208","0.0002","12.2208","0.0002","25.9835","0.0007","90","","90","","120","","3360.68","0.12","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O48 Sc7 -","- C30 H18 O48 Sc7 -","- C90 H54 O144 Sc21 -","3","0.166667","","Bernini, Maria Celeste; Snejko, Natalia; Gutierrez-Puebla, Enrique; Monge, Angeles","From globular star-shaped molecules to self-assembled nano-spheres: a novel scandium croconate polynuclear complex","CrystEngComm","2011","13","6","1797","","10.1039/c0ce00649a","","","1.54178","CuKα","","0.0313","0.029","","","0.087","0.0881","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210530","14.4171","0.0008","8.0418","0.0004","31.454","0.002","90","","90","","90","","3646.8","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0867","0.0364","","","0.0629","0.076","","","","","","0.991","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210531","14.4059","0.0011","7.9797","0.0003","31.467","0.002","90","","90","","90","","3617.3","0.4","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0817","0.04","","","0.0705","0.0839","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210532","14.3893","0.0012","7.9176","0.0004","31.485","0.003","90","","90","","90","","3587","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0891","0.0431","","","0.0699","0.0824","","","","","","0.975","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210533","14.3879","0.0013","7.8591","0.0008","31.494","0.003","90","","90","","90","","3561.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0596","0.0353","","","0.0696","0.0777","","","","","","1.031","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210534","14.3623","0.0006","7.823","0.0004","31.5402","0.0013","90","","90","","90","","3543.7","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0464","0.0335","","","0.0797","0.0845","","","","","","1.035","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210535","14.384","0.0005","7.7638","0.0003","31.8297","0.0011","90","","90","","90","","3554.6","0.2","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0678","0.0515","","","0.132","0.1371","","","","","","1.276","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210536","14.365","0.0005","7.7434","0.0002","31.8361","0.001","90","","90","","90","","3541.25","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0388","0.032","","","0.0717","0.0744","","","","","","1.125","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210537","12.4169","0.0006","9.8259","0.0006","14.0212","0.0009","90","","91.585","0.005","90","","1710.03","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1338","0.0517","","","0.1041","0.1332","","","","","","0.967","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210538","12.0232","0.0012","8.3543","0.0012","17.166","0.002","90","","98.84","0.005","90","","1703.8","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1105","0.0535","","","0.1353","0.1646","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210539","5.6686","0.0002","7.1886","0.0003","12.3615","0.0005","75.833","0.002","80.649","0.001","79.137","0.001","476.06","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","1","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0223","0.0204","","","0.0515","0.0523","","","","","","1.055","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210540","10.7778","0.0005","11.612","0.0005","18.5198","0.0009","90","","97.184","0.003","90","","2299.59","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 Cl2 O4 -","- C21 H20 Br2 Cl2 O4 -","- C84 H80 Br8 Cl8 O16 -","4","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1208","0.0473","","","0.0853","0.1027","","","","","","1.006","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210541","7.7087","0.0005","8.0642","0.0003","9.4794","0.0006","85.956","0.002","88.701","0.002","63.24","0.002","524.83","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","1","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0433","0.0393","","","0.1061","0.1092","","","","","","1.095","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210542","27.6859","0.0005","16.9435","0.0004","28.0346","0.0006","90","","101.603","0.001","90","","12882.2","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 O13 S7 Tb -","- C38 H57 O13 S7 Tb -","- C304 H456 O104 S56 Tb8 -","8","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.079","0.0547","","","0.1528","0.1671","","","","","","1.046","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210543","16.5736","0.0007","21.7897","0.0008","35.132","0.0014","90","","90","","90","","12687.4","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 Eu2 O29 S17 -","- C82 H132 Eu2 O29 S17 -","- C328 H528 Eu8 O116 S68 -","4","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0859","0.061","","","0.1343","0.143","","","","","","1.035","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210544","8.7097","0.0003","14.0738","0.0005","16.2065","0.0006","114.085","0.002","91.028","0.002","94.463","0.002","1805.42","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Eu N O8 S3 -","- C33 H32 Eu N O8 S3 -","- C66 H64 Eu2 N2 O16 S6 -","2","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0774","0.0589","","","0.1475","0.1621","","","","","","1.029","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210545","8.6455","0.0012","14.142","0.002","16.283","0.003","114.24","0.009","91.363","0.009","94.361","0.01","1806.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 N O8 S3 Tb -","- C33 H32 N O8 S3 Tb -","- C66 H64 N2 O16 S6 Tb2 -","2","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0659","0.0523","","","0.1373","0.1448","","","","","","0.972","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210546","23.125","0.003","10.7039","0.0007","21.391","0.005","90","","118.741","0.005","90","","4642.5","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Cu2 I2 N8 O2 S2 -","- C10 H22 Cu2 I2 N8 O2 S2 -","- C80 H176 Cu16 I16 N64 O16 S16 -","8","1","","Li, Hao-Hong; Wang, Yun-Jie; Dong, Hai-Jun; Chen, Zhi-Rong; Wu, Yan-Ling; Wang, Min; Huang, Shu-Wei","An organic‒inorganic hybrid heterobridging luminescent copper(i) polymer exhibiting thermochromic behavior","CrystEngComm","2011","13","6","1778","","10.1039/c0ce00754d","","","0.71073","MoKα","","0.0526","0.0424","","","0.1176","0.1261","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210547","10.852","0.005","13.748","0.007","13.879","0.007","90","","97.856","0.008","90","","2051.2","1.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Olanzapine-Maleic acid 1:1","","","- C21 H24 N4 O4 S -","- C21 H24 N4 O4 S -","- C84 H96 N16 O16 S4 -","4","1","","Thakuria, Ranjit; Nangia, Ashwini","Highly soluble olanzapinium maleate crystalline salts","CrystEngComm","2011","13","6","1759","","10.1039/c0ce00787k","","","0.71073","MoKα","","0.0502","0.0418","","","0.1125","0.1188","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210548","8.518","0.003","9.804","0.004","16.21","0.006","95.956","0.007","97.945","0.007","107.789","0.007","1261.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-Maleic acid 1:2","","","- C25 H28 N4 O8 S -","- C25 H28 N4 O8 S -","- C50 H56 N8 O16 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Highly soluble olanzapinium maleate crystalline salts","CrystEngComm","2011","13","6","1759","","10.1039/c0ce00787k","","","0.71073","MoKα","","0.1167","0.0864","","","0.1789","0.1987","","","","","","1.243","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210549","14.1795","0.0003","23.7646","0.0005","18.7113","0.0005","90","","90","","90","","6305.1","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H52.5 K1.5 O32 Zn5 -","- C54 H48 K1.5 O32 Zn5 -","- C216 H192 K6 O128 Zn20 -","4","1","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.0811","0.0557","","","0.1485","0.1674","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210550","7.1319","0.0014","24.327","0.005","18.849","0.004","90","","90","","90","","3270.3","1.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H27 Na2 O16.5 Zn2 -","- C27 H22 Na2 O16.5 Zn2 -","- C108 H88 Na8 O66 Zn8 -","4","0.5","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.103","0.0651","","","0.1675","0.1974","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210551","24.2508","0.0006","12.6282","0.0003","13.2061","0.0003","90","","119.793","0.001","90","","3509.74","0.15","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C33 H27 Ag2 N8 O10 -","- C33 H21 Ag2 N8 O10 -","- C132 H84 Ag8 N32 O40 -","4","0.5","","Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics","CrystEngComm","2011","13","6","1752","","10.1039/c0ce00812e","","","0.71073","MoKα","","0.0432","0.0381","","","0.0975","0.1038","","","","","","1.048","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210552","24.0171","0.0011","10.0687","0.0005","18.5808","0.0008","90","","90","","90","","4493.2","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H35 Ag2 N9 O13 -","- C44 H32 Ag2 N9 O13 -","- C176 H128 Ag8 N36 O52 -","4","1","","Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics","CrystEngComm","2011","13","6","1752","","10.1039/c0ce00812e","","","0.71073","MoKα","","0.0732","0.0466","","","0.0866","0.1009","","","","","","1.141","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210553","7.8571","0.0016","10.889","0.002","11.869","0.002","69.57","0.03","75.68","0.03","70.86","0.03","888.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H0 Co2 N0 O0 -","- C40 H28 Co2 N8 O8 -","- C40 H28 Co2 N8 O8 -","1","0.5","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.0823","0.0668","","","0.1783","0.1864","","","","","","1.168","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210554","27.028","0.005","10.493","0.002","17.871","0.004","90","","120.32","0.03","90","","4375","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 Co3 N8 O16 -","- C42 H34 Co3 N8 O16 -","- C168 H136 Co12 N32 O64 -","4","0.5","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.0335","0.0298","","","0.0696","0.0711","","","","","","1.126","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210555","9.5455","0.0019","10.271","0.002","10.628","0.002","62.03","0.03","68.68","0.03","83.38","0.03","855.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Co N4 O5 -","- C17 H13 Co N4 O5 -","- C34 H26 Co2 N8 O10 -","2","1","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.058","0.0436","","","0.09","0.0953","","","","","","1.075","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210556","12.7109","0.0003","9.5071","0.0003","12.7444","0.0004","90","","90","","90","","1540.08","0.08","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H10 Br F4 N3 -","- C15 H10 Br F4 N3 -","- C60 H40 Br4 F16 N12 -","4","1","","Saunders, Graham C.","On the importance of π‒π stacking and cation‒anion interactions in the construction of non-centrosymmetric networks of bromide salts of imidazolium cations bearing arene and polyfluoroarene rings","CrystEngComm","2011","13","6","1801","","10.1039/c1ce00003a","","","0.71073","MoKα","","0.0261","0.0214","","","0.0511","0.0528","","","","","","1.047","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210557","8.92885","0.00003","7.098858","0.00002","9.2593","0.00003","90","","90","","90","","586.897","0.003","293","","","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C2 H3 Al F5 N3 Zn -","- C2 H3 Al F5 N3 Zn -","- C8 H12 Al4 F20 N12 Zn4 -","4","0.25","","Cadiau, Amandine; Martineau, Charlotte; Leblanc, Marc; Maisonneuve, Vincent; Hémon-Ribaud, Annie; Taulelle, Francis; Adil, Karim","ZnAlF5.[TAZ]: an Al fluorinated MOF of MIL-53(Al) topology with cationic {Zn(1,2,4 triazole)}2+ linkers","Journal of Materials Chemistry","2011","21","11","3949","3951","10.1039/c0jm03559a","powder diffraction","","","CuKα","","","","","","","","","3.1162","1.67","","","","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7215293","10.373","0.006","11.875","0.007","15.088","0.009","93.108","0.007","104.184","0.005","105.905","0.006","1718.1","1.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","Zn_NDI_CID","Zn_NDI_CID","","- C30 H14 N4 O8 S Zn -","- C30 H14 N4 O8 S Zn -","- C60 H28 N8 O16 S2 Zn2 -","2","1","","Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu","Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism","CrystEngComm","2011","13","10","3360","","10.1039/c1ce05201b","","","0.71075","MoKα","","0.0972","0.0757","","","0.2074","0.2183","","","","","","1.02","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215294","17.615","0.005","16.644","0.005","19.66","0.005","90","0.005","91.89","0.005","90","0.005","5761","3","223","2","223","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H14 N4 O8 S Zn -","- C30 H14 N4 O8 S Zn -","- C120 H56 N16 O32 S4 Zn4 -","4","1","","Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu","Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism","CrystEngComm","2011","13","10","3360","","10.1039/c1ce05201b","","","0.71073","MoKα","","0.0887","0.0643","","","0.1819","0.1911","","","","","","0.88","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215295","7.2013","0.0016","7.3815","0.0016","11.328","0.002","77.121","0.003","77.612","0.002","75.969","0.003","561.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-(1-H-imidaozol-1-yl)benzoic Acid","","","- C10 H11 Cl N2 O3 -","- C10 H9 Cl N2 O3 -","- C20 H18 Cl2 N4 O6 -","2","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0925","0.0731","","","0.2171","0.2427","","","","","","1.056","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215296","14.465","0.008","7.83","0.004","11.406","0.006","90","","111.139","0.006","90","","1204.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(1-Methyl-imidaozol-1-yl)benzoic Acid","","","- C11 H13 Cl N2 O3 -","- C11 H11 Cl N2 O3 -","- C44 H44 Cl4 N8 O12 -","4","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0927","0.0522","","","0.1393","0.1654","","","","","","1.037","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215297","8.0674","0.0004","8.0674","0.0004","28.0367","0.0006","90","","90","","90","","1824.71","0.13","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0706","0.0435","","","0.1008","0.1141","","","","","","1.007","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215298","8.0814","0.0003","8.0814","0.0003","28.0836","0.0004","90","","90","","90","","1834.11","0.1","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0461","0.0329","","","0.0691","0.0742","","","","","","0.976","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215299","19.0367","0.0016","8.23","0.0007","18.2963","0.0015","90","","90","","90","","2866.5","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22.85 H20.65 Cd N4.95 O6.7 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0359","0.0282","","","0.0686","0.072","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215300","18.8725","0.0015","18.8725","0.0015","8.0221","0.0013","90","","90","","90","","2857.2","0.6","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H27.85 Cd N5.3 O6.05 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0752","0.0462","","","0.0605","0.0653","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215301","18.5718","0.0009","18.5718","0.0009","7.7776","0.0008","90","","90","","90","","2682.6","0.3","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26 H29.5 Co N5 O6.3 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0574","0.0509","","","0.1275","0.1315","","","","","","1.074","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215302","15.573","0.002","19.416","0.003","19.664","0.003","90","","90","","90","","5945.7","1.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30.8 H37.8 Cd N6.2 O6.2 -","- C22 H18 Cd N4 O4 -","- C176 H144 Cd8 N32 O32 -","8","","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0665","0.0451","","","0.0785","0.084","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215303","9.5451","0.0003","14.2427","0.0005","7.3811","0.0002","90","","102.716","0.002","90","","978.83","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-methoxyaspirin","2-acetyloxy-3-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0503","0.0403","","","0.1013","0.107","","","","","","1.07","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215304","4.9084","0.0001","10.0101","0.0005","17.4781","0.0009","90","","96.917","0.003","90","","852.51","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-fluoroaspirin","2-acetyloxy-4-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0692","0.0477","","","0.1084","0.1215","","","","","","1.076","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215305","5.0688","0.0001","9.4619","0.0003","20.0281","0.0006","90","","94.069","0.002","90","","958.14","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-methoxyaspirin","2-acetyloxy-4-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0729","0.0534","","","0.1239","0.1327","","","","","","1.052","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215306","5.0385","0.0001","17.3609","0.0005","10.8931","0.0003","90","","95.402","0.002","90","","948.62","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methoxyaspirin","2-acetyloxy-5-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0437","0.0374","","","0.0924","0.097","","","","","","1.06","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215307","7.3711","0.0002","7.0952","0.0001","16.7141","0.0004","90","","100.919","0.001","90","","858.31","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-fluoroaspirin","2-acetyloxy-6-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0439","0.0387","","","0.0877","0.0918","","","","","","1.041","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215308","18.0847","0.0008","18.0847","0.0008","9.9217","0.0009","90","","90","","90","","3245","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","cadmium 2-nitroimidazolate","","","- C4.5 H3 Cd0.75 N4.5 O3 -","- C4.5 H3 Cd0.75 N4.5 O3 -","- C72 H48 Cd12 N72 O48 -","16","1","","Li, Yan-Tao; Yao, Shi-Yan; Wang, Yan; Cui, Ke-Hui; Li, Hai-Qin; Wang, Xin; Zhu, Jian-Qi; Li, Jia; Tian, Yun-Qi","A novel cadmium imidazolate framework (CdIF) with ice-XII structure of itv topology","CrystEngComm","2011","13","10","3470","","10.1039/c1ce05055a","","","0.71073","MoKα","","0.0338","0.0255","","","0.0623","0.0668","","","","","","0.812","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215309","16.744","0.006","15.092","0.006","22.518","0.008","90","","90","","90","","5690","4","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H48 Co3 N6 O14 S3 -","- C50 H48 Co3 N6 O14 S3 -","- C200 H192 Co12 N24 O56 S12 -","4","0.5","","Zou, Hua-Hong; He, Yan-Ping; Gui, Liu-Cheng; Liang, Fu-Pei","A new 8-connected porous coordination polymer: crystal structure and selective adsorption properties","CrystEngComm","2011","13","10","3325","","10.1039/c1ce05103b","","","0.71073","MoKα","","0.1027","0.0825","","","0.2235","0.2415","","","","","","1.121","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215310","7.546","0.0015","10.948","0.002","7.804","0.0016","90","","90","","90","","644.7","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H6 N O3 P -","- C5 H6 N O3 P -","- C20 H24 N4 O12 P4 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0254","0.0209","","","0.0516","0.0531","","","","","","0.955","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215311","19.948","0.003","28.534","0.004","5.304","0.001","90","","90","","90","","3019","0.8","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-(dihydroxyphosphoryl)nicotinic acid","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C96 H96 N16 O80 P16 -","16","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0301","0.0249","","","0.0576","0.0592","","","","","","1.001","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215312","7.0495","0.0014","10.49","0.002","10.813","0.002","90","","90","","90","","799.6","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N O6 P2 -","- C5 H7 N O6 P2 -","- C20 H28 N4 O24 P8 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0278","0.022","","","0.0548","0.0548","","","","","","1.002","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215313","10.0108","0.0002","18.514","0.0004","18.8711","0.0004","90","","96.628","0.002","90","","3474.19","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cd N7 O7 -","- C35 H29 Cd N7 O7 -","- C140 H116 Cd4 N28 O28 -","4","1","","Wu, Hua; Liu, Hai-Yan; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Liu, Yun-Yu; Bai, Hong-Ye","Two unprecedented 3D metal‒organic polyrotaxane frameworks based on a new flexible tri(imidazole) ligand","CrystEngComm","2011","13","10","3402","","10.1039/c0ce00908c","","","1.54184","CuKα","","0.133","0.0722","","","0.1716","0.2049","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215314","10.175","0.0003","13.289","0.0004","15.712","0.0007","109.992","0.003","94.333","0.003","90.49","0.002","1989.44","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 Cd3 Cl2 N14 O12 -","- C70 H50 Cd3 Cl2 N14 O12 -","- C70 H50 Cd3 Cl2 N14 O12 -","1","0.5","","Wu, Hua; Liu, Hai-Yan; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Liu, Yun-Yu; Bai, Hong-Ye","Two unprecedented 3D metal‒organic polyrotaxane frameworks based on a new flexible tri(imidazole) ligand","CrystEngComm","2011","13","10","3402","","10.1039/c0ce00908c","","","0.71069","MoKα","","0.0853","0.0431","","","0.0958","0.1048","","","","","","0.915","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215315","7.8127","0.0017","18.72","0.004","13.281","0.003","90","","94.294","0.004","90","","1936.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N5 O5 Zn -","- C17 H17 N5 O5 Zn -","- C68 H68 N20 O20 Zn4 -","4","1","","Li, Dong-Sheng; Ke, Xi-Jun; Zhao, Jun; Du, Miao; Zou, Kun; He, Qiu-Fen; Li, Cai","Unusual 3D ZnII coordination networks with mixed tetrahedral and square-planar building units: from 2-fold interpenetrating bbf architecture to self-penetrating 86 topological frameworks","CrystEngComm","2011","13","10","3355","","10.1039/c1ce05231d","","","0.71073","MoKα","","0.0827","0.0526","","","0.1508","0.191","","","","","","1.062","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215316","9.267","0.004","13.257","0.006","16.324","0.007","90","","94.975","0.009","90","","1997.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N5 O7 Zn -","- C18 H17 N5 O7 Zn -","- C72 H68 N20 O28 Zn4 -","4","1","","Li, Dong-Sheng; Ke, Xi-Jun; Zhao, Jun; Du, Miao; Zou, Kun; He, Qiu-Fen; Li, Cai","Unusual 3D ZnII coordination networks with mixed tetrahedral and square-planar building units: from 2-fold interpenetrating bbf architecture to self-penetrating 86 topological frameworks","CrystEngComm","2011","13","10","3355","","10.1039/c1ce05231d","","","0.71073","MoKα","","0.1189","0.064","","","0.1675","0.198","","","","","","1.001","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215317","10.283","0.003","10.282","0.003","17.38","0.005","93.327","0.004","98.686","0.005","111.005","0.007","1683.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl N12 O7 Zn2 -","- C26 H28 Cl N12 O7 Zn2 -","- C52 H56 Cl2 N24 O14 Zn4 -","2","1","","Wang, Ju; Zhu, Xia; Cui, Yan-Feng; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from 2D grid networks and 1D chains","CrystEngComm","2011","13","10","3342","","10.1039/c0ce00782j","","","0.7107","MoKα","","0.0685","0.0557","","","0.1567","0.1683","","","","","","1.091","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215318","10.3742","0.0003","10.9261","0.0005","11.5914","0.0011","68.78","0.03","65.22","0.02","62.77","0.02","1036.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N6 O7 Zn -","- C16 H18 N6 O7 Zn -","- C32 H36 N12 O14 Zn2 -","2","1","","Wang, Ju; Zhu, Xia; Cui, Yan-Feng; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from 2D grid networks and 1D chains","CrystEngComm","2011","13","10","3342","","10.1039/c0ce00782j","","","0.7107","MoKα","","0.126","0.0717","","","0.1868","0.2686","","","","","","1.07","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215319","9.303","0.006","8.413","0.006","8.161","0.006","90","","90","","90","","638.7","0.8","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H5 N3 O2 Zn -","- C4 H5 N3 O2 Zn -","- C16 H20 N12 O8 Zn4 -","4","1","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.03","0.0276","","","0.0628","0.0645","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215320","7.663","0.003","10.104","0.004","17.426","0.008","90","","90","","90","","1349.2","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H9 N9 O2 Zn2 -","- C8 H9 N9 O2 Zn2 -","- C32 H36 N36 O8 Zn8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0349","0.0312","","","0.0738","0.0761","","","","","","1.107","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215321","11.856","0.008","12.019","0.008","16.688","0.012","90","","90","","90","","2378","3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H20 Cd3 Cl3 N11 O2 -","- C12 H20 Cd3 Cl3 N11 O2 -","- C48 H80 Cd12 Cl12 N44 O8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0463","0.0418","","","0.0929","0.0956","","","","","","1.072","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215322","7.09","0.02","7.24","0.02","11.96","0.03","90","","90","","90","","614","3","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C2 H5 Cd Cl2 N3 O -","- C2 H3 Cd Cl2 N3 O -","- C8 H12 Cd4 Cl8 N12 O4 -","4","0.25","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0636","0.0624","","","0.2184","0.2198","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215323","16.562","0.007","10.103","0.004","7.904","0.003","90","","90","","90","","1322.5","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cd2 Cl N12 -","- C6 H9 Cd2 Cl N12 -","- C24 H36 Cd8 Cl4 N48 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0274","0.0254","","","0.0579","0.0592","","","","","","1.079","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215324","14.277","0.0007","13.671","0.0008","25.33","0.0013","90","","93.47","0.001","90","","4934.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Co N4 O19 Y2 -","- C50 H34 Co N4 O19 Y2 -","- C200 H136 Co4 N16 O76 Y8 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1145","0.0505","","","0.1087","0.1365","","","","","","0.975","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215325","14.217","0.003","13.665","0.002","25.382","0.005","90","","93.176","0.008","90","","4923.5","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N4 O19 Y2 Zn -","- C50 H34 N4 O19 Y2 Zn -","- C200 H136 N16 O76 Y8 Zn4 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.0793","0.0439","","","0.0866","0.0975","","","","","","1.021","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215326","14.24","0.0013","13.651","0.0014","25.338","0.003","90","","93.315","0.002","90","","4917.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Co Er2 N4 O19 -","- C50 H34 Co Er2 N4 O19 -","- C200 H136 Co4 Er8 N16 O76 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1086","0.0532","","","0.0987","0.1298","","","","","","0.969","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215327","14.294","0.003","13.645","0.002","25.265","0.005","90","","93.582","0.009","90","","4918.1","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Er2 N4 O19 Zn -","- C50 H34 Er2 N4 O19 Zn -","- C200 H136 Er8 N16 O76 Zn4 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.049","0.0341","","","0.0619","0.0662","","","","","","1.034","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215328","14.479","0.0013","13.914","0.0013","25.214","0.002","90","","93.886","0.001","90","","5068","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H74 Co2 N8 O35 Sm4 -","- C100 H68 Co2 N8 O35 Sm4 -","- C200 H136 Co4 N16 O70 Sm8 -","2","0.5","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1362","0.0708","","","0.1748","0.2129","","","","","","1.022","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7215329","13.552","0.0008","17.794","0.001","19.514","0.0011","73.946","0.001","81.002","0.001","86.582","0.001","4465.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H82 N14 Ni2 O30 Y2 -","- C88 H75 N14 Ni2 O30 Y2 -","- C176 H150 N28 Ni4 O60 Y4 -","2","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.0914","0.0512","","","0.1059","0.1234","","","","","","1.023","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215330","7.432","0.014","24.68","0.03","11.157","0.018","90","","91.7","0.14","90","","2046","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl4 N2 Zn -","- C16 H24 Cl4 N2 Zn -","- C64 H96 Cl16 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1298","0.0728","","","0.2","0.226","","","","","","1.104","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215331","8.2036","0.0004","26.8324","0.0016","10.988","0.0006","90","","90.202","0.004","90","","2418.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 I4 N2 Zn -","- C16 H24 I4 N2 Zn -","- C64 H96 I16 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0793","0.0592","","","0.149","0.1603","","","","","","1.089","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215332","7.868","0.0009","25.864","0.003","11.0185","0.0014","90","","91.086","0.002","90","","2241.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br4 Cd N2 -","- C16 H24 Br4 Cd N2 -","- C64 H96 Br16 Cd4 N8 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0803","0.0417","","","0.1188","0.1329","","","","","","0.891","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215333","10.94","0.002","8.214","0.002","13.556","0.003","90","","99.132","0.017","90","","1202.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cd I4 N2 -","- C16 H24 Cd I4 N2 -","- C32 H48 Cd2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1048","0.0654","","","0.1924","0.2383","","","","","","1.043","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215334","7.8392","0.0016","25.756","0.005","11.016","0.002","90","","91.03","0.03","90","","2223.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br4 Hg N2 -","- C16 H24 Br4 Hg N2 -","- C64 H96 Br16 Hg4 N8 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0899","0.0426","","","0.1017","0.1085","","","","","","0.895","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215335","10.8319","0.0016","8.396","0.0012","13.5792","0.0019","90","","98.66","0.003","90","","1220.9","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Hg I4 N2 -","- C16 H24 Hg I4 N2 -","- C32 H48 Hg2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0581","0.0375","","","0.089","0.0967","","","","","","1.045","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215336","7.6962","0.0017","25.541","0.004","11.1314","0.0019","90","","91.782","0.016","90","","2187","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br Cl2 I N2 Zn -","- C16 H24 Br Cl2 I N2 Zn -","- C64 H96 Br4 Cl8 I4 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1198","0.0949","","","0.2772","0.301","","","","","","1.142","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215337","10.1716","0.0002","12.1281","0.0003","12.4038","0.0003","90","","111.816","0.001","90","","1420.57","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C64 H52 N12 O4 S4 -","4","1","","Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.","Polymorphism of 5-(pyridin-2-ylmethylene)-3-phenyl-2-methylthio-3,5-dihydro-4H-imidazole-4-one","CrystEngComm","2011","13","10","3444","","10.1039/c1ce05098b","","","0.71073","MoKα","","0.0434","0.0395","","","0.1111","0.1146","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215338","17.0269","0.0004","23.4679","0.0006","6.9207","0.0002","90","","90","","90","","2765.41","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","","Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.","Polymorphism of 5-(pyridin-2-ylmethylene)-3-phenyl-2-methylthio-3,5-dihydro-4H-imidazole-4-one","CrystEngComm","2011","13","10","3444","","10.1039/c1ce05098b","","","1.54178","CuKα","","0.0318","0.0308","","","0.088","0.0892","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215339","8.72","0.001","8.969","0.0012","9.422","0.0012","77.951","0.011","80.69","0.01","71.308","0.011","679.06","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Gd N O12 -","- C9 H10 Gd N O12 -","- C18 H20 Gd2 N2 O24 -","2","1","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0955","0.0845","","","0.1945","0.2034","","","","","","1.023","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215340","8.6761","0.0012","9.3984","0.0014","10.5809","0.0017","92.225","0.011","102.987","0.01","109.636","0.009","785.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Gd2 N2 O30 Zn -","- C18 H30 Gd2 N2 O30 Zn -","- C18 H30 Gd2 N2 O30 Zn -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.116","0.0837","","","0.1813","0.1968","","","","","","1.013","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215341","8.6552","0.001","9.276","0.0011","10.695","0.0011","93.603","0.006","101.819","0.006","109.742","0.006","782.89","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Cu Gd2 N2 O30 -","- C18 H30 Cu Gd2 N2 O30 -","- C18 H30 Cu Gd2 N2 O30 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0571","0.0457","","","0.1089","0.1144","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215342","8.7113","0.0003","9.1913","0.0004","10.5321","0.0004","86.054","0.002","77.189","0.002","71.101","0.002","777.96","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Co Gd2 N2 O29 -","- C18 H26 Co Gd2 N2 O29 -","- C18 H26 Co Gd2 N2 O29 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0279","0.025","","","0.0639","0.0659","","","","","","1.047","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215343","8.7196","0.0001","9.222","0.0002","10.5926","0.0002","86.003","0.001","77.168","0.001","71.09","0.001","785.68","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Gd2 Mn N2 O29 -","- C18 H26 Gd2 Mn N2 O29 -","- C18 H26 Gd2 Mn N2 O29 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0208","0.0184","","","0.044","0.0449","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215344","10.393","0.002","11.27","0.002","12.065","0.002","105.91","0.03","95.95","0.03","96.73","0.03","1336","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","1","0.5","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.031","0.0248","","","0.0505","0.0526","","","","","","1.053","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215345","8.011","0.0016","13.379","0.003","13.674","0.003","74.93","0.03","83.71","0.03","86.61","0.03","1405.9","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 Cl2 N2 O7 Tb Zn -","- C25 H25 Cl2 N2 O7 Tb Zn -","- C50 H50 Cl4 N4 O14 Tb2 Zn2 -","2","1","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.0549","0.0455","","","0.1354","0.1427","","","","","","1.172","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215346","7.99","0.003","13.377","0.005","13.685","0.005","74.414","0.006","83.644","0.007","86.54","0.007","1399.5","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 Cl2 Dy N2 O7 Zn -","- C25 H25 Cl2 Dy N2 O7 Zn -","- C50 H50 Cl4 Dy2 N4 O14 Zn2 -","2","1","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.1104","0.0774","","","0.2232","0.2757","","","","","","1.01","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215347","11.979","0.006","13.2","0.007","13.26","0.007","116.241","0.007","91.775","0.008","104.446","0.008","1796.9","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H58 Cl4 Lu4 N4 O22 Zn -","- C52 H54 Cl4 Lu4 N4 O22 Zn -","- C52 H54 Cl4 Lu4 N4 O22 Zn -","1","0.5","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.0662","0.0454","","","0.1106","0.121","","","","","","1.049","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215348","7.5724","0.0002","12.3856","0.0003","8.0889","0.0002","90","","94.12","0.002","90","","756.69","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H12 Ga2 N2 Se7 -","- C3 H12 Ga2 N2 Se7 -","- C6 H24 Ga4 N4 Se14 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0342","0.0279","","","0.0534","0.0541","","","","","","1","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215349","11.766","0.0004","11.7743","0.0004","10.9763","0.0004","90","","110.17","0.004","90","","1427.36","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Ga2 N2 Se5 -","- C4 H14 Ga2 N2 Se5 -","- C16 H56 Ga8 N8 Se20 -","4","0.5","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.026","0.0183","","","0.0369","0.0374","","","","","","1.033","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215350","14.135","0.012","8.456","0.007","14.066","0.013","90","","100.318","0.017","90","","1654","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Ga2 N2 Se6 -","- C4 H16 Ga2 N2 Se6 -","- C16 H64 Ga8 N8 Se24 -","4","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0765","0.0538","","","0.1233","0.1374","","","","","","1.087","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215351","6.9815","0.0019","15.436","0.004","11.831","0.003","90","","91.462","0.004","90","","1274.6","0.6","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H32 Ga2 N6 Se6 -","- C12 H32 Ga2 N6 Se6 -","- C24 H64 Ga4 N12 Se12 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0587","0.0453","","","0.0813","0.0868","","","","","","1.011","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215352","10.623","0.005","16.495","0.008","7.163","0.004","90","","94.935","0.012","90","","1250.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Ga N3 Se3 -","- C6 H16 Ga N3 Se3 -","- C24 H64 Ga4 N12 Se12 -","4","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0672","0.0511","","","0.1118","0.1216","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215353","5.24562","0.00017","4.73223","0.00013","12.3051","0.0004","90","","90.426","0.003","90","","305.447","0.016","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ammonium metaarsenate(III)","","- As H4 N O2 -","- As H4 N O2 -","- As4 H16 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0308","0.0285","","","0.0676","0.0681","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215354","5.3555","0.0013","4.7543","0.0008","12.313","0.003","90","","90.124","0.019","90","","313.51","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ammonium metaarsenate(III)","","- As H4 N O2 -","- As H4 N O2 -","- As4 H16 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0437","0.041","","","0.1028","0.1039","","","","","","1.461","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215355","17.9898","0.0015","4.64836","0.00012","12.8789","0.0011","90","","132.957","0.014","90","","788.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethylenediamonnium metaarsenate(III)","","- C2 H10 As2 N2 O4 -","- C2 H10 As2 N2 O4 -","- C8 H40 As8 N8 O16 -","4","0.5","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0359","0.0289","","","0.0704","0.072","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215356","15.4872","0.0009","4.63256","0.00013","12.4361","0.0006","90","","112.001","0.006","90","","827.26","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","benzylammonium metaarsenate(III)","","- C7 H10 As N O2 -","- C7 H10 As N O2 -","- C28 H40 As4 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0715","0.041","","","0.0822","0.0878","","","","","","0.911","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215357","5.47942","0.00018","4.65117","0.00016","10.4691","0.0003","90","","94.937","0.003","90","","265.823","0.015","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","methylammonium metaarsenate(III) hydrate","","- C H8 As N O3 -","- C H8 As N O3 -","- C2 H16 As2 N2 O6 -","2","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0188","0.0172","","","0.0423","0.0426","","","","","","1.039","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215358","4.7049","0.0004","18.8608","0.0016","6.1721","0.0005","90","","91.821","0.009","90","","547.42","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethanolammonium metaarsenate(III)","","- C2 H8 As N O3 -","- C2 H8 As N O3 -","- C8 H32 As4 N4 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0505","0.0396","","","0.0765","0.0799","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215359","7.953","0.0019","11.212","0.003","12.307","0.003","90","","103.187","0.004","90","","1068.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N6 -","- C10 H16 N6 -","- C40 H64 N24 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0821","0.0626","","","0.1522","0.1749","","","","","","1.13","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215360","12.4905","0.0017","11.1849","0.0015","11.9231","0.0016","90","","117.768","0.002","90","","1473.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag Cl N6 O4 -","- C10 H16 Ag Cl N6 O4 -","- C40 H64 Ag4 Cl4 N24 O16 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0738","0.0513","","","0.1429","0.2353","","","","","","1.187","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215361","8.7996","0.0013","12.983","0.0019","13.942","0.002","90","","101.802","0.002","90","","1559.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Ag N7 O5 -","- C10 H20 Ag N7 O5 -","- C40 H80 Ag4 N28 O20 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0807","0.0532","","","0.1482","0.2324","","","","","","1.139","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215362","11.066","0.0005","13.8214","0.0006","16.8387","0.0007","90","","103.31","0.001","90","","2506.26","0.19","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Co2 N2 O13 -","- C22 H26 Co2 N2 O12 -","- C88 H104 Co8 N8 O48 -","4","1","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.0506","0.0376","","","0.0945","0.1017","","","","","","1.051","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215363","16.2417","0.0011","10.7616","0.0007","25.6486","0.0017","90","","90","","90","","4483","0.5","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H46 Mn3 N4 O18 -","- C44 H32 Mn3 N4 O18 -","- C176 H128 Mn12 N16 O72 -","4","0.5","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.0828","0.0657","","","0.189","0.2036","","","","","","1.031","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215364","10.781","0.0005","15.8837","0.0007","25.1737","0.0011","90","","90","","90","","4310.8","0.3","185","2","185","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H40 Mg3 N3 O21 -","- C39 H30 Mg3 N2 O20.65 -","- C156 H120 Mg12 N8 O82.6 -","4","1","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.098","0.073","","","0.1979","0.2232","","","","","","1.064","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215365","8.769","0.002","15.024","0.002","21.216","0.002","94.818","0.003","99.983","0.005","98.226","0.006","2707.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H35 Cl6 N3 O6 P3 -","- C66 H35 Cl6 N3 O6 P3 -","- C132 H70 Cl12 N6 O12 P6 -","2","1","","Reynes, Mathias; Dautel, Olivier J.; Virieux, David; Flot, David; Moreau, Joël J. E.","Synthesis and crystal structure of tris(2,3-triphenylenedioxy)cyclotriphosphazene: a new clathration system","CrystEngComm","2011","13","20","6050","","10.1039/c1ce05529a","","","0.8726","synchrotron","","0.0762","0.0669","","","0.1895","0.1965","","","","","","1.043","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215366","14.909","0.002","31.013","0.004","9.074","0.001","90","","102.12","0.007","90","","4102.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 N3 O6 P3 -","- C54 H30 N3 O6 P3 -","- C216 H120 N12 O24 P12 -","4","1","","Reynes, Mathias; Dautel, Olivier J.; Virieux, David; Flot, David; Moreau, Joël J. E.","Synthesis and crystal structure of tris(2,3-triphenylenedioxy)cyclotriphosphazene: a new clathration system","CrystEngComm","2011","13","20","6050","","10.1039/c1ce05529a","","","0.8726","synchrotron","","0.05","0.0401","","","0.1028","0.1081","","","","","","1.027","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215367","17.3759","0.0007","19.6161","0.0012","12.153","0.0004","90","","128.409","0.002","90","","3245.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co4 N4 O17 -","- C28 H24 Co4 N4 O17 -","- C112 H96 Co16 N16 O68 -","4","0.5","","Chen, Jing; Feng, Yun-Long; Jiang, Zhan-Guo; Cheng, Jian-Wen","Two unusual binodal highly-connected 3D networks constructed with mutiflexible ligands","CrystEngComm","2011","13","20","6071","","10.1039/c1ce05259d","","","0.71073","MoKα","","","0.0422","","","0.113","0.1231","","","","","","1.035","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215368","11.2742","0.0002","20.1605","0.0004","12.0927","0.0002","90","","116.682","0.001","90","","2455.9","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Co4 N8 O19.5 -","- C40 H47 Co4 N8 O19.5 -","- C80 H94 Co8 N16 O39 -","2","0.5","","Chen, Jing; Feng, Yun-Long; Jiang, Zhan-Guo; Cheng, Jian-Wen","Two unusual binodal highly-connected 3D networks constructed with mutiflexible ligands","CrystEngComm","2011","13","20","6071","","10.1039/c1ce05259d","","","0.71073","MoKα","","","0.069","","","0.2401","0.3287","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215369","10.0028","0.0011","11.9202","0.0013","14.3524","0.0016","99.776","0.001","102.13","0.001","110.143","0.002","1515.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.2 Cu2 N6 O11.6 -","- C20 H30 Cu2 N6 O11 -","- C40 H60 Cu4 N12 O22 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.0644","0.0408","","","0.1041","0.1152","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215370","24.55","0.018","15.285","0.011","14.484","0.01","90","","122.935","0.01","90","","4562","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Cu N12 O13 -","- C35 H50 Cu N12 O13 -","- C140 H200 Cu4 N48 O52 -","4","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.1313","0.0635","","","0.182","0.2222","","","","","","1.032","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215371","8.966","0.002","10.949","0.003","11.62","0.003","100.988","0.003","98.286","0.003","102.071","0.003","1074.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl Cu0.5 N7 O4 -","- C17 H18 Cl Cu0.5 N7 O4 -","- C34 H36 Cl2 Cu N14 O8 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.1528","0.1219","","","0.3642","0.3833","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215372","11.8981","0.0003","16.9246","0.0005","19.3535","0.0005","90","","125.174","0.002","90","","3185.62","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H76 Co2 N18 O26 S2 -","- C44 H76 Co2 N18 O26 S2 -","- C88 H152 Co4 N36 O52 S4 -","2","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.0834","0.0534","","","0.1559","0.1741","","","","","","1.058","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215373","22.5556","0.0007","8.7941","0.0002","16.2863","0.0004","90","","100.318","0.003","90","","3178.25","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O4 Zn -","- C34 H32 N4 O4 Zn -","- C136 H128 N16 O16 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0762","0.0578","","","0.1769","0.1875","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215374","22.4668","0.001","8.6151","0.0003","16.9974","0.0006","90","","102.055","0.004","90","","3217.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O6 Zn -","- C34 H32 N4 O6 Zn -","- C136 H128 N16 O24 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1081","0.0633","","","0.1629","0.1798","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215375","18.6361","0.0005","13.5949","0.0009","12.7863","0.0006","90","","90","","90","","3239.5","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C34 H30 N6 O8 Zn -","- C34 H30 N6 O8 Zn -","- C136 H120 N24 O32 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1512","0.048","","","0.0802","0.0906","","","","","","0.853","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215376","8.8418","0.0003","9.512","0.0004","9.6826","0.0004","85.966","0.004","87.778","0.003","78.915","0.003","796.9","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N6 O6 Zn -","- C32 H34 N6 O6 Zn -","- C32 H34 N6 O6 Zn -","1","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0776","0.0676","","","0.192","0.2034","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215377","9.8","0.003","12.756","0.006","16.818","0.005","71.521","0.003","88.204","0.002","70.909","0.005","1878.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N8 O12 Zn -","- C34 H28 N8 O12 Zn -","- C68 H56 N16 O24 Zn2 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71069","MoKα","","0.0998","0.0811","","","0.2252","0.2414","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215378","10.4659","0.0002","14.632","0.0004","16.5116","0.0004","90","","90","","90","","2528.54","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O4 Zn -","- C28 H26 N4 O4 Zn -","- C112 H104 N16 O16 Zn4 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0895","0.0643","","","0.1738","0.1844","","","","","","1.01","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215379","8.7123","0.0005","9.9185","0.0005","11.6794","0.0009","69.257","0.006","70.439","0.006","65.82","0.006","839.46","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N2 O5 Zn -","- C18 H17 N2 O5 Zn -","- C36 H34 N4 O10 Zn2 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0807","0.0574","","","0.1553","0.1655","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215380","10.8685","0.0003","16.3185","0.0004","8.5098","0.0002","90","","90.088","0.002","90","","1509.28","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N2 O5 Zn -","- C14 H15 N2 O5 Zn -","- C56 H60 N8 O20 Zn4 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0843","0.0607","","","0.1823","0.1971","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215381","10.3571","0.0002","16.6387","0.0004","15.4241","0.0004","90","","98.106","0.002","90","","2631.46","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Ag2 N4 O5 -","- C28 H28 Ag2 N4 O5 -","- C112 H112 Ag8 N16 O20 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0711","0.0331","","","0.062","0.0676","","","","","","0.823","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215382","9.7504","0.0008","9.8666","0.0008","10.0927","0.0007","92.064","0.006","114.696","0.007","119.342","0.009","732.59","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ag N2 O4 -","- C14 H17 Ag N2 O4 -","- C28 H34 Ag2 N4 O8 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0953","0.0395","","","0.0657","0.0735","","","","","","0.833","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215383","11.6759","0.0003","13.2549","0.0004","19.194","0.0005","87.414","0.002","85.056","0.002","86.352","0.002","2951.12","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H111 Ag5 N18 O13 -","- C98 H100 Ag5 N18 O13 -","- C98 H100 Ag5 N18 O13 -","1","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1365","0.0601","","","0.1574","0.1791","","","","","","0.841","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215384","21.091","0.006","8.2252","0.0018","10.579","0.003","90","","120.686","0.005","90","","1578.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cu N6 O6 -","- C10 H18 Cu N6 O6 -","- C40 H72 Cu4 N24 O24 -","4","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0341","0.0314","","","0.0791","0.0815","","","","","","1.062","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215385","7.4564","0.0013","17.654","0.003","8.7158","0.0016","90","","114.808","0.003","90","","1041.4","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl2 Cu N12 -","- C16 H24 Cl2 Cu N12 -","- C32 H48 Cl4 Cu2 N24 -","2","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.71073","MoKα","","0.0331","0.0305","","","0.0784","0.0799","","","","","","1.076","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215386","9.565","0.002","8.5582","0.0019","9.4197","0.0017","90","","106.288","0.005","90","","740.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N8 S2 -","- C10 H12 Cu N8 S2 -","- C20 H24 Cu2 N16 S4 -","2","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0285","0.027","","","0.0748","0.076","","","","","","1.074","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215387","13.143","0.002","17.513","0.003","25.348","0.004","90","","90","","90","","5834.4","1.6","223","2","223","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O9.98 -","- C128 H224 Cl16 Cu8 N96 O79.84 -","8","0.25","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0554","0.0539","","","0.1541","0.1555","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215388","12.887","0.002","17.043","0.003","24.799","0.004","90","","90","","90","","5446.7","1.6","193","2","193","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cu N14 O8 -","- C16 H28 Cu N14 O8 -","- C128 H224 Cu8 N112 O64 -","8","0.25","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0758","0.0726","","","0.2078","0.2107","","","","","","1.315","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215389","16.103","0.004","8.6062","0.0019","13.525","0.003","90","","112.305","0.005","90","","1734.1","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu N6 O4 -","- C16 H16 Cu N6 O4 -","- C64 H64 Cu4 N24 O16 -","4","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0378","0.0335","","","0.0892","0.0924","","","","","","1.02","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215390","7.5798","0.0009","8.7849","0.0001","19.056","0.003","94.154","0.011","96.89","","112.58","0.008","1153.4","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24.5 Cu2 N6 O12.5 -","- C19 H24 Cu2 N6 O12.5 -","- C38 H48 Cu4 N12 O25 -","2","1","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0649","0.0483","","","0.12","0.1315","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215391","33.747","0.007","12.808","0.003","14.155","0.003","90","","102.27","0.03","90","","5978","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 Fe5 N3 O24 -","- C41 H40 Fe5 N3 O24 -","- C164 H160 Fe20 N12 O96 -","4","0.5","","Li, Yun-Wu; Zhao, Jiong-Peng; Wang, Li-Fu; Bu, Xian-He","An Fe-based MOF constructed from paddle-wheel and rod-shaped SBUs involved in situ generated acetate","CrystEngComm","2011","13","20","6002","","10.1039/c1ce05470h","","","0.71073","MoKα","","0.0992","0.0717","","","0.1679","0.1829","","","","","","1.023","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215392","7.3135","0.0004","7.3135","0.0004","16.4964","0.0019","90","","90","","120","","764.14","0.11","291","2","291","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C30 H24 N12 S3 -","3","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0334","0.0322","","","0.0855","0.0871","","","","","","1.047","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215393","6.969","0.003","7.073","0.003","9.075","0.004","92.827","0.005","106.248","0.004","99.958","0.006","420.7","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C14 H10 Br2 N4 S2 -","2","1","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0839","0.0726","","","0.1721","0.1822","","","","","","0.904","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215394","23.8364","0.0008","23.8364","0.0008","26.589","0.002","90","","90","","120","","13083.2","1.2","291","2","291","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C432 H324 Cl36 N108 O150 S36 Zn18 -","6","0.166667","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0647","0.0407","","","0.1004","0.1071","","","","","","0.935","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215395","8.1844","0.0004","9.6968","0.0005","15.7097","0.0008","90","","104.448","0.001","90","","1207.33","0.11","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd Cl2 N6 S2 -","- C24 H18 Cd Cl2 N6 S2 -","- C48 H36 Cd2 Cl4 N12 S4 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0268","0.0215","","","0.0473","0.049","","","","","","0.944","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215396","9.0358","0.001","15.9866","0.0017","12.5425","0.0016","90","","116.04","0.001","90","","1627.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N10 O10 S2 Zn -","- C24 H32 N10 O10 S2 Zn -","- C48 H64 N20 O20 S4 Zn2 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0376","0.0288","","","0.0672","0.0698","","","","","","0.953","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215397","9.0887","0.0008","16.3768","0.0015","12.6796","0.0014","90","","116.015","0.001","90","","1696.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cd N10 O10 S2 -","- C24 H32 Cd N10 O10 S2 -","- C48 H64 Cd2 N20 O20 S4 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0478","0.0312","","","0.0529","0.0561","","","","","","0.845","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215398","24.0813","0.0015","16.5778","0.0007","28.3107","0.0018","90","","100.055","0.003","90","","11128.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H99 N6 O25.5 Pr2 S6 -","- C120 H84 N6 O25.5 Pr2 S6 -","- C480 H336 N24 O102 Pr8 S24 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New luminescent complexes for recognition and reversible sensing small molecules","CrystEngComm","2011","13","20","6007","","10.1039/c1ce05382e","","","0.71073","MoKα","","0.0892","0.0636","","","0.1462","0.1656","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215399","10.842","0.003","11.194","0.003","14.953","0.005","93.155","0.003","96.372","0.003","102.207","0.006","1757","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Mn N2 O7 S2 -","- C40 H30 Mn N2 O7 S2 -","- C80 H60 Mn2 N4 O14 S4 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New luminescent complexes for recognition and reversible sensing small molecules","CrystEngComm","2011","13","20","6007","","10.1039/c1ce05382e","","","0.71073","MoKα","","0.0509","0.0417","","","0.1147","0.1233","","","","","","1.053","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215400","32.782","0.002","16.6144","0.0013","17.8662","0.0013","90","","90","","90","","9730.9","1.2","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C95 H91 Cd4 N9 O25 -","- C95 H91 Cd4 N9 O25 -","- C380 H364 Cd16 N36 O100 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Bai, Jing; Fang, Min; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","An unprecedented (3,7)-connected microporous solvatochromic coordination polymer built on a semirigid tripod pyridinium-4-olate ligand","CrystEngComm","2011","13","20","6010","","10.1039/c1ce05888f","","","0.71073","MoKα","","0.1005","0.0606","","","0.1374","0.1462","","","","","","1.045","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215401","11.1225","0.0017","6.2139","0.001","15.089","0.002","90","","94.651","0.002","90","","1039.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Na2 O20 S2 Zn3 -","- C8 H16 Na2 O20 S2 Zn3 -","- C16 H32 Na4 O40 S4 Zn6 -","2","0.5","","Liu, Qing-Yan; Li, Li-Qin; Wang, Yu-Ling; Yang, Er-Ler; Wei, Jia-Jia; Fu, Jiang-Hong","New heterometallic frameworks with flexible sulfonate-carboxylate ligand: syntheses, structures, and properties","CrystEngComm","2011","13","20","6150","","10.1039/c1ce05561e","","","0.71073","MoKα","","0.0398","0.0285","","","0.0664","0.072","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215402","10.0335","0.0017","16.02","0.003","12.195","0.002","90","","101.566","0.002","90","","1920.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Na8 O35 S4 Zn2 -","- C16 H12 Na8 O35 S4 Zn2 -","- C32 H24 Na16 O70 S8 Zn4 -","2","0.5","","Liu, Qing-Yan; Li, Li-Qin; Wang, Yu-Ling; Yang, Er-Ler; Wei, Jia-Jia; Fu, Jiang-Hong","New heterometallic frameworks with flexible sulfonate-carboxylate ligand: syntheses, structures, and properties","CrystEngComm","2011","13","20","6150","","10.1039/c1ce05561e","","","0.71073","MoKα","","0.1077","0.0526","","","0.1055","0.1228","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215403","12.1286","0.0013","12.9525","0.0013","20.782","0.002","90","","90","","90","","3264.8","0.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N2 O7.5 P2 Zn -","- C12 H15 N2 O7.5 P2 Zn -","- C96 H120 N16 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0578","0.0368","","","0.0787","0.0881","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215404","8.1777","0.0009","10.4708","0.0012","11.0725","0.0013","112.385","0.001","101.403","0.001","90.107","0.001","856.24","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 N2 O8 P2 Zn -","- C14 H16 N2 O8 P2 Zn -","- C28 H32 N4 O16 P4 Zn2 -","2","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0507","0.0395","","","0.0954","0.1017","","","","","","1.034","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215405","7.5131","0.0007","18.2935","0.0018","18.7247","0.0018","90","","90","","90","","2573.5","0.4","295","2","295","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H9.5 N O7.5 P2 Zn -","- C8 H9.5 N O7.5 P2 Zn -","- C64 H76 N8 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0351","0.0288","","","0.0769","0.0805","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215406","13.7837","0.0018","7.1911","0.001","16.257","0.002","90","","96.81","0.002","90","","1600","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O7 P2 Zn -","- C14 H14 N2 O7 P2 Zn -","- C56 H56 N8 O28 P8 Zn4 -","4","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0565","0.0382","","","0.084","0.0906","","","","","","1.045","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215407","17.57","0.02","15.185","0.007","13.384","0.008","90","","118.595","0.006","90","","3135","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu3 I2 N5 -","- C12 H8 Cu3 I2 N5 -","- C96 H64 Cu24 I16 N40 -","8","1","","Fang, Zhen-Lan; He, Jian-Gang; Yu, Rong-Min; Wu, Xiao-Yuan; Lu, Can-Zhong","One novel complex obtained through copper-mediated conversion of 2,5-bis(3-pyridyl)-1,3,4-oxadiazole: structure, in situ formation of ligand, and luminescence properties","CrystEngComm","2011","13","20","6243","","10.1039/c1ce05440f","","","0.71073","MoKα","","0.0687","0.0596","","","0.1602","0.1699","","","","","","1.066","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215408","24.61","0.005","18.555","0.004","8.2379","0.0016","90","","96.896","0.003","90","","3734.5","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 N6 Ni O13 Pd -","- C24 H34 N6 Ni O12 Pd -","- C96 H136 N24 Ni4 O48 Pd4 -","4","0.5","","Huang, Sheng-Li; Jin, Guo-Xin","Selective CO2 capture by a 3d‒4d coordination polymer material with 1D channel","CrystEngComm","2011","13","20","6013","","10.1039/c1ce05474k","","","0.71073","MoKα","","0.1114","0.0571","","","0.1386","0.1545","","","","","","0.969","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215409","25.379","0.003","17.642","0.004","16.484","0.005","90","","90","","90","","7380","3","300","","300","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H33 N2 Ni O6 S10 -","- C26 H33 N2 Ni O6 S10 -","- C208 H264 N16 Ni8 O48 S80 -","8","1","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","","0.049","","","","0.1361","","","","","","1.043","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215410","16.075","0.003","25.415","0.004","35.366","0.005","90","","90","","90","","14449","4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N2 Ni O6 S10 -","- C26 H31 N2 Ni O6 S10 -","- C416 H496 N32 Ni16 O96 S160 -","16","4","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","0.1118","0.058","","","0.1154","0.1393","","","","","","0.924","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215411","24.303","0.01","10.137","0.004","18.744","0.013","90","","125.506","0.004","90","","3759","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cl6 N4 O6 Zn -","- C38 H26 Cl6 N4 O6 Zn -","- C152 H104 Cl24 N16 O24 Zn4 -","4","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.1148","0.0504","","","0.1091","0.1415","","","","","","1.024","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215412","10.9481","0.0008","13.2205","0.0009","13.9222","0.0016","106.761","0.003","102.853","0.003","108.249","0.002","1720.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H36 Cl12 N8 O12 Zn4 -","- C68 H36 Cl12 N8 O12 Zn4 -","- C68 H36 Cl12 N8 O12 Zn4 -","1","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0436","0.0299","","","0.0681","0.0719","","","","","","1.061","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215413","8.3392","0.0008","10.52","0.001","11.0835","0.0011","71.219","0.002","79.807","0.002","75.307","0.002","885.63","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl3 N2 O4 Zn -","- C15 H12 Cl3 N2 O4 Zn -","- C30 H24 Cl6 N4 O8 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0484","0.0385","","","0.1093","0.1156","","","","","","1.092","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215414","20.5213","0.0011","9.4618","0.0005","16.9888","0.0009","90","","126.518","0.002","90","","2651.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Cl6 N2 O6 Zn -","- C24 H12 Cl6 N2 O6 Zn -","- C96 H48 Cl24 N8 O24 Zn4 -","4","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0705","0.0436","","","0.1002","0.1178","","","","","","1.09","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215415","14.4957","0.0005","8.8235","0.0003","23.1793","0.0008","90","","96.808","0.001","90","","2943.79","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl6 N2 O6 Zn -","- C27 H18 Cl6 N2 O6 Zn -","- C108 H72 Cl24 N8 O24 Zn4 -","4","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0578","0.0395","","","0.0892","0.0972","","","","","","1.056","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215416","11.8373","0.0008","13.5119","0.0009","18.5484","0.0013","90","","106.514","0.002","90","","2844.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H35 Cl12 N4 O12 Zn2 -","- C54 H35 Cl12 N4 O12 Zn2 -","- C108 H70 Cl24 N8 O24 Zn4 -","2","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.1062","0.0635","","","0.1559","0.1817","","","","","","1.026","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215417","13.6683","0.0005","13.6285","0.0005","15.1486","0.0006","90","","101.217","0.001","90","","2767.95","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 Cl12 N4 O14 Zn2 -","- C52 H30 Cl12 N4 O14 Zn2 -","- C104 H60 Cl24 N8 O28 Zn4 -","2","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0648","0.0428","","","0.0918","0.0997","","","","","","1.032","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215418","8.2531","0.0007","10.6582","0.001","12.4388","0.0011","73.757","0.002","73.122","0.002","76.445","0.002","991.16","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9 Cl3 N2 O3 Zn -","- C17 H9 Cl3 N2 O3 Zn -","- C34 H18 Cl6 N4 O6 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.037","0.0312","","","0.0765","0.0789","","","","","","1.054","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215419","9.1994","0.0006","10.5683","0.0007","13.8477","0.0009","80.486","0.002","78.545","0.002","65.856","0.002","1198.73","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl3 N3 O3 Zn -","- C25 H16 Cl3 N3 O3 Zn -","- C50 H32 Cl6 N6 O6 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.048","0.0396","","","0.0971","0.1004","","","","","","1.071","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215420","9.194","0.0004","10.532","0.0005","13.8552","0.0006","80.603","0.002","78.29","0.002","65.975","0.001","1195","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl3 Co N3 O3 -","- C25 H16 Cl3 Co N3 O3 -","- C50 H32 Cl6 Co2 N6 O6 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0578","0.0459","","","0.1113","0.1157","","","","","","1.041","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215421","9.8694","0.0003","10.1833","0.0003","13.5295","0.0004","92.154","0.001","103.146","0.001","104.038","0.001","1278.37","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Cl3 N4 Ni O6 -","- C25 H17 Cl3 N4 Ni O6 -","- C50 H34 Cl6 N8 Ni2 O12 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0526","0.0363","","","0.0764","0.0826","","","","","","1.041","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215422","7.129","0.0003","12.148","0.0012","17.76","0.0013","90","","101.58","0.003","90","","1506.8","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O10 Zn -","- C12 H12 N2 O10 Zn -","- C48 H48 N8 O40 Zn4 -","4","1","","Wang, Kuaibing; Yin, Yuxin; Li, Chengying; Geng, Zhirong; Wang, Zhilin","Facile synthesis of zinc(ii)-carboxylate coordination polymer particles and their luminescent, biocompatible and antibacterial properties","CrystEngComm","2011","13","20","6231","","10.1039/c1ce05705g","","","0.71073","MoKα","","0.0672","0.052","","","0.1135","0.1169","","","","","","1.067","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215423","16.533","0.004","16.533","0.004","14.654","0.005","90","","90","","120","","3468.9","1.7","293","2","293","2","","","","","","","","4","P 62","P 62","171","","","","- C21 H31 N6 O4.5 -","- C21 H31 N6 O4.5 -","- C126 H186 N36 O27 -","6","1","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.0797","0.0412","","","0.0803","0.091","","","","","","0.997","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215424","12.094","0.004","12.534","0.004","18.268","0.006","75.307","0.004","71.083","0.005","78.421","0.005","2512.6","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 N6 O4.25 -","- C23 H34 N6 O4.25 -","- C92 H136 N24 O17 -","4","2","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.136","0.0725","","","0.1998","0.2306","","","","","","1.044","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215425","10.579","0.002","19.247","0.004","30.125","0.006","90","","94.26","0.03","90","","6117","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H46 N6 O6 -","- C29 H46 N6 O6 -","- C232 H368 N48 O48 -","8","2","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.2043","0.0997","","","0.1681","0.1999","","","","","","1.032","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215426","17.69","0.003","18.545","0.004","22.889","0.005","71.7","0.03","82.55","0.03","77.24","0.03","6938","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H54 N6 O6 -","- C33 H54 N6 O6 -","- C264 H432 N48 O48 -","8","4","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.084","0.0643","","","0.1553","0.1737","","","","","","0.917","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215427","13.8265","0.0008","14.2642","0.0008","25.1428","0.0014","90","","92.711","0.002","90","","4953.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl K2 N21 O33 -","- C30 H34 Cl K2 N21 O33 -","- C120 H136 Cl4 K8 N84 O132 -","4","1","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.0852","0.0764","","","0.2185","0.2276","","","","","","1.094","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215428","11.4458","0.0006","12.4198","0.0007","19.5596","0.0011","77.185","0.002","81.055","0.002","77.905","0.002","2633.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H52 Cl N20 O35 Rb3 S -","- C30 H38 Cl N20 O35 Rb3 S -","- C60 H76 Cl2 N40 O70 Rb6 S2 -","2","1","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.1108","0.0937","","","0.2821","0.3013","","","","","","1.035","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215429","15.618","0.004","14.081","0.004","21.4","0.006","90","","100.475","0.003","90","","4628","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Cs2 N20 O29 S -","- C30 H34 Cs2 N20 O29 S -","- C120 H136 Cs8 N80 O116 S4 -","4","0.5","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.1012","0.0982","","","0.2481","0.2497","","","","","","1.248","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215430","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.058","0.0459","","","0.1113","0.1209","","","","","","1.005","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215431","8.765","0.0013","11.6593","0.0017","11.9268","0.0018","77.744","0.002","76.47","0.002","76.133","0.002","1134.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Ag4 Ho2 N6 O26 -","- C34 H30 Ag4 Ho2 N6 O26 -","- C34 H30 Ag4 Ho2 N6 O26 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0521","0.0449","","","0.0983","0.1012","","","","","","1.197","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215432","21.6736","0.0011","9.4185","0.0005","17.5251","0.0009","90","","109.379","0.001","90","","3374.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag La N2 O9 -","- C14 H10 Ag La N2 O9 -","- C112 H80 Ag8 La8 N16 O72 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0352","0.0266","","","0.0544","0.0581","","","","","","1.024","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215433","8.7942","0.0015","11.6555","0.0019","11.946","0.002","77.532","0.002","76.519","0.002","76.058","0.002","1139","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Ag4 Dy2 N6 O26 -","- C34 H30 Ag4 Dy2 N6 O26 -","- C34 H30 Ag4 Dy2 N6 O26 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0626","0.0563","","","0.1334","0.1366","","","","","","1.146","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215434","7.1755","0.0007","11.4346","0.0012","18.3179","0.0019","86.188","0.001","78.88","0.001","73.573","0.001","1414.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 I5 La2 N6 Na O21 -","- C38 H34 Cu6 I5 La2 N6 Na O21 -","- C38 H34 Cu6 I5 La2 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0588","0.0388","","","0.0681","0.0768","","","","","","1.016","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215435","21.893","0.004","9.2903","0.0017","17.243","0.003","90","","108.622","0.002","90","","3323.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Tm -","- C14 H10 Ag N2 O9 Tm -","- C112 H80 Ag8 N16 O72 Tm8 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.059","0.0499","","","0.1334","0.1394","","","","","","1.027","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215436","21.814","0.002","9.3193","0.0008","17.3133","0.0016","90","","108.9","0.001","90","","3329.9","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Pr -","- C14 H10 Ag N2 O9 Pr -","- C112 H80 Ag8 N16 O72 Pr8 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0491","0.0328","","","0.0599","0.066","","","","","","1.006","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215437","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0925","0.0558","","","0.1107","0.129","","","","","","0.972","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215438","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0581","0.0405","","","0.0812","0.0906","","","","","","1.029","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215439","9.0533","0.0015","18.467","0.003","4.6354","0.001","90","","90","","90","","775","0.2","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Br4 Cd4 Hg4 S4 -","- Br4 Cd4 Hg4 S4 -","- Br8 Cd8 Hg8 S8 -","2","0.125","","Zou, Jian-Ping; Peng, Qiang; Luo, Sheng-Lian; Tang, Xin-Hua; Zhang, Ai-Qin; Zeng, Gui-Sheng; Guo, Guo-Cong","Synthesis, crystal and band structures, and optical properties of a novel quaternary mercury and cadmium chalcogenidehalide: (Hg2Cd2S2Br)Br","CrystEngComm","2011","13","11","3862","","10.1039/c1ce05047h","","","0.71073","MoKα","","0.0624","0.0537","","","0.1566","0.1615","","","","","","1.001","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215440","12.4787","0.0004","15.7475","0.0006","17.5342","0.0009","94.783","0.004","91.032","0.004","101.706","0.003","3360","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H60.5 N14 Ni2 O13.25 -","- C70 H52 N14 Ni2 O13.25 -","- C140 H104 N28 Ni4 O26.5 -","2","1","","Wu, Hua; Liu, Bo; Yang, Jin; Liu, Hai-Yan; Ma, Jian-Fang","A new type of entangled motif: from 2D polyrotaxane layers to a 3D polythreaded framework","CrystEngComm","2011","13","11","3661","","10.1039/c1ce05379e","","","0.71073","MoKα","","0.1156","0.0581","","","0.1364","0.151","","","","","","0.872","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215441","28.4879","0.0005","32.7675","0.0006","7.999","0.0001","90","","90","","90","","7466.9","0.2","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Bis(N,N-dimethylselenourea)trichloro antimony hemiacetone","","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C120 H304 Cl48 N64 O8 Sb16 Se32 -","16","1","","Maiti, Nilkamal; Im, Sang Hyuk; Lee, Yong Hui; Kim, Chong-Hyeak; Seok, Sang Il","Solvent-assisted growth of Sb2Se3 nanocompounds from a single-source precursor under mild reaction conditions","CrystEngComm","2011","13","11","3767","","10.1039/c1ce05032j","","","0.71073","MoKα","","0.024","0.0202","","","0.0433","0.0441","","","","","","1.069","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7215442","11.3326","0.0014","12.7665","0.0012","13.3078","0.0012","93.603","0.006","113.622","0.001","91.911","0.002","1756.9","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 N2 O6 P S -","- C36 H42 N2 O6 P S -","- C72 H84 N4 O12 P2 S2 -","2","1","","Akutsu, Hiroki; Kawamura, Atsushi; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Anion polarity-induced dual oxidation states in a dual-layered purely organic paramagnetic charge-transfer salt, (TTF)3(PO-CON(CH3)C2H4SO3)2, where PO = 2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl free radical","CrystEngComm","2011","13","17","5281","","10.1039/c1ce05578j","","","0.71069","MoKα","","","0.0684","","","","0.0693","","","","","","1.092","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215443","59.415","0.004","6.3283","0.0003","14.901","0.0007","90","","102.242","0.0014","90","","5475.3","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 N4 O10 S14 -","- C42 H52 N4 O10 S14 -","- C168 H208 N16 O40 S56 -","4","0.5","","Akutsu, Hiroki; Kawamura, Atsushi; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Anion polarity-induced dual oxidation states in a dual-layered purely organic paramagnetic charge-transfer salt, (TTF)3(PO-CON(CH3)C2H4SO3)2, where PO = 2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl free radical","CrystEngComm","2011","13","17","5281","","10.1039/c1ce05578j","","","0.71069","MoKα","","","0.0645","","","","0.0587","","","","","","1.204","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215444","10.377","0.002","9.509","0.002","15.331","0.003","90","","92.624","0.005","90","","1511.2","0.5","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 P Se -","- C18 H13 P Se -","- C72 H52 P4 Se4 -","4","1","","Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel","Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal","CrystEngComm","2011","13","17","5423","","10.1039/c1ce05388d","","","0.71075","MoKα","","0.0321","0.0277","","","0.0658","0.0679","","","","","","1.056","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215445","10.32","0.002","9.3942","0.0015","15.135","0.002","90","","92.101","0.004","90","","1466.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 P2 S Se -","- C36 H26 P2 S Se -","- C72 H52 P4 S2 Se2 -","2","0.5","","Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel","Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal","CrystEngComm","2011","13","17","5423","","10.1039/c1ce05388d","","","0.71074","MoKα","","0.024","0.0232","","","0.0587","0.0592","","","","","","1.059","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215446","15.4845","0.0004","20.3081","0.0006","27.13","0.0008","90","","98.873","0.002","90","","8429.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H96.3 Cl N32 O34.15 -","- C56 H59 N32 O34.15 -","- C224 H236 N128 O136.6 -","4","1","","Vostrikova, Kira E.; Peresypkina, Eugenia V.; Drebushchak, Valery A.","Cucurbituril-assisted transformation of nitronyl nitroxide into imino nitroxide in the solid state","CrystEngComm","2011","13","9","3241","","10.1039/c0ce00504e","","","1.54178","CuKα","","0.1282","0.1068","","","0.2896","0.3108","","","","","","1.222","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215447","8.9981","0.00024","8.05617","0.00021","11.7678","0.00026","90","","90","","90","","853.05","0.04","298","","298","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B4 Ca3 D12 O3 -","- B4 Ca3 D12 O3 -","- B16 Ca12 D48 O12 -","4","0.5","","Riktor, M. D.; Filinchuk, Y.; Vajeeston, P.; Bardají, E. G.; Fichtner, M.; Fjellvåg, H.; Sørby, M. H.; Hauback, B. C.","The crystal structure of the first borohydride borate, Ca3(BD4)3(BO3)","Journal of Materials Chemistry","2011","21","20","7188","","10.1039/c1jm00074h","powder diffraction","","","","","","","","","","","","","72.44","","","","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215448","12.9727","0.0002","12.9727","0.0002","12.9727","0.0002","90","","90","","90","","2183.19","0.06","300","","300","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Lithium Lanthanum Zirconium Oxide","","","- Al0.196 La3 Li6.06 O12 Zr2 -","- Al0.1959 La3 Li6.06 O12 Zr2 -","- Al1.5672 La24 Li48.48 O96 Zr16 -","8","0.0833333","","Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen","Structure and dynamics of the fast lithium ion conductor ""Li7La3Zr2O12"".","Physical chemistry chemical physics : PCCP","2011","13","43","19378","19392","10.1039/c1cp22108f","powder diffraction","","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.42","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7238343","19.824","0.004","6.8479","0.0014","19.765","0.004","90","","117.16","0.03","90","","2387.3","1.1","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H22 Mn3 N2 O21 -","- C16 H22 Mn3 N2 O21 -","- C64 H88 Mn12 N8 O84 -","4","1","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0346","0.027","","","0.0578","0.0685","","","","","","1.11","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238344","15.9192","0.0006","5.9225","0.0003","18.5992","0.0008","90","","90","","90","","1753.56","0.13","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co3 N2 O14 -","- C16 H8 Co3 N2 O14 -","- C64 H32 Co12 N8 O56 -","4","0.5","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0396","0.0259","","","0.0573","0.0589","","","","","","0.886","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238345","8.092","0.0016","8.998","0.0018","10.884","0.002","81.53","0.03","71.23","0.03","82.8","0.03","739.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co3 N4 O18 -","- C26 H24 Co3 N4 O18 -","- C26 H24 Co3 N4 O18 -","1","0.5","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0507","0.0424","","","0.112","0.1224","","","","","","1.106","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238346","10.078","0.0002","16.9209","0.0003","20.2287","0.0004","90","","90","","90","","3449.58","0.11","200","2","200","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C12 H19 Co3 O11 P3 -","- C12 H15 Co3 O11 P3 -","- C96 H120 Co24 O88 P24 -","8","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0774","0.0486","","","0.1397","0.1739","","","","","","1.185","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238347","8.8381","0.0005","9.0763","0.0005","12.3127","0.0008","95.218","0.002","101.701","0.002","111.775","0.002","883.03","0.09","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H21 Cu2 O11 P3 -","- C12 H17 Cu2 O11 P3 -","- C24 H34 Cu4 O22 P6 -","2","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0426","0.0332","","","0.0794","0.0839","","","","","","1.044","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238348","4.8218","0.0002","19.8911","0.001","18.295","0.0008","90","","95.077","0.002","90","","1747.81","0.14","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18.2 Cu3 O13.6 P3 -","- C9 H15 Cu3 O13.6 P3 -","- C36 H60 Cu12 O54.4 P12 -","4","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0589","0.0395","","","0.0848","0.0956","","","","","","1.024","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238349","10.585","0.011","5.881","0.006","10.311","0.009","90","","107.9","0.02","90","","610.8","1","370","2","370","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Cl3 N O -","- C2 H2 Cl3 N O -","- C8 H8 Cl12 N4 O4 -","4","1","","Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi","Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide","CrystEngComm","2011","13","7","2693","","10.1039/c0ce00751j","","","0.6889","synchrotron","","0.0594","0.0494","","","0.1475","0.1575","","","","","","1.074","","","","has coordinates","244125","2020-10-21","18:00:00",""
"7238350","10.4368","0.0008","5.8004","0.0004","10.1922","0.0007","90","","107.561","0.001","90","","588.26","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 Cl3 N O -","- C2 H2 Cl3 N O -","- C8 H8 Cl12 N4 O4 -","4","2","","Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi","Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide","CrystEngComm","2011","13","7","2693","","10.1039/c0ce00751j","","","0.68933","synchrotron","","0.044","0.0432","","","0.121","0.1218","","","","","","1.072","","","","has coordinates","244125","2020-10-21","18:00:00",""
"7238351","16.147","0.003","16.147","0.003","16.624","0.004","90","","90","","120","","3753.6","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H40 N2 O12 Zn3 -","- C57.9 H39.9 N1.98 O12 Zn3 -","- C173.7 H119.7 N5.94 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1181","0.0448","","","0.0488","0.0551","","","","","","0.8","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238352","16.117","0.003","16.117","0.003","18.073","0.005","90","","90","","120","","4065.6","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H38 N2 O12 Zn3 -","- C57.9 H37.92 N2 O12 Zn3 -","- C173.7 H113.76 N6 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.0682","0.0407","","","0.0871","0.0946","","","","","","0.873","","","","has coordinates","244126","2020-10-21","18:00:00",""
"7238353","16.1001","0.0006","16.1001","0.0006","40.628","0.003","90","","90","","120","","9120.4","0.8","273","2","273","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C60 H48 N2 O15 Zn3 -","- C59.88 H41.88 N1.99333 O12 Zn3 -","- C359.28 H251.28 N11.96 O72 Zn18 -","6","0.5","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1392","0.0537","","","0.1416","0.1616","","","","","","0.867","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238354","11.476","0.002","26.337","0.005","16.155","0.003","90","","92.18","0.03","90","","4879.2","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H45 Cu F6 O P4 S -","- C55 H45 Cu F6 O P4 S -","- C220 H180 Cu4 F24 O4 P16 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0594","0.0581","","","0.1241","0.1248","","","","","","1.225","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238355","10.45","0.0014","19.688","0.004","13.83","0.002","90","","90.245","0.011","90","","2845.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cu F6 N2 P2 S -","- C29 H25 Cu F6 N2 P2 S -","- C116 H100 Cu4 F24 N8 P8 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0365","0.0341","","","0.0826","0.084","","","","","","1.071","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238356","8.9997","0.0016","11.507","0.002","16.728","0.004","78.417","0.016","86.517","0.016","78.32","0.015","1661.6","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H27 Cl2 Cu F6 N2 P2 S -","- C32 H27 Cl2 Cu F6 N2 P2 S -","- C64 H54 Cl4 Cu2 F12 N4 P4 S2 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0456","0.0365","","","0.0745","0.0776","","","","","","1.126","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238357","12.137","0.002","13.453","0.002","13.9427","0.0019","97.305","0.012","110.279","0.012","114.695","0.011","1838.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cu F6 P3 S2 -","- C38 H34 Cu F6 P3 S2 -","- C76 H68 Cu2 F12 P6 S4 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0293","0.0284","","","0.0741","0.0746","","","","","","1.069","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238358","10.5396","0.001","12.2287","0.001","13.3195","0.0011","104.793","0.007","102.457","0.007","105.796","0.007","1520.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cu F6 N4 P -","- C34 H28 Cu F6 N4 P -","- C68 H56 Cu2 F12 N8 P2 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0408","0.0362","","","0.0841","0.0863","","","","","","1.115","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238359","11.611","0.002","13.045","0.003","14.699","0.003","115.99","0.03","97.55","0.03","90.93","0.03","1977.1","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0454","0.043","","","0.1161","0.1179","","","","","","1.072","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238360","11.5635","0.0017","13.0399","0.0017","15.119","0.002","112.413","0.01","98.097","0.011","91.294","0.011","2079.3","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0615","0.0515","","","0.126","0.1316","","","","","","1.138","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238361","16.763","0.003","5.942","0.0012","30.238","0.006","90","","93.51","0.03","90","","3006.2","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 O2 P2 S2 -","- C36 H28 O2 P2 S2 -","- C144 H112 O8 P8 S8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0367","0.0328","","","0.0829","0.0854","","","","","","1.096","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238362","9.1889","0.0014","9.3069","0.0014","9.5114","0.0014","71.087","0.002","78.189","0.002","79.218","0.002","746.78","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H14 N O14 S3 Tb -","- C2 H14 N O14 S3 Tb -","- C4 H28 N2 O28 S6 Tb2 -","2","1","","Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Yuan, Yan; Zhu, Dunru; Chen, Su","Second structural directing agent induces the formation of 1D organic templated terbium sulfate","CrystEngComm","2011","13","7","2714","","10.1039/c0ce00895h","","","0.71073","MoKα","","0.0287","0.0259","","","0.0796","0.0803","","","","","","1.474","","","","has coordinates","244128","2020-10-21","18:00:00",""
"7238363","20.6927","0.0015","36.783","0.003","10.1514","0.0008","90","","114.418","0.001","90","","7035.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H76 N9 O50 S12 Tb5 -","- C18 H64 N9 O50 S12 Tb5 -","- C72 H256 N36 O200 S48 Tb20 -","4","0.5","","Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Yuan, Yan; Zhu, Dunru; Chen, Su","Second structural directing agent induces the formation of 1D organic templated terbium sulfate","CrystEngComm","2011","13","7","2714","","10.1039/c0ce00895h","","","0.71073","MoKα","","0.0513","0.0456","","","0.1545","0.1599","","","","","","1.213","","","","has coordinates,has disorder","244128","2020-10-21","18:00:00",""
"7238364","9.657","0.006","12.577","0.008","13.693","0.009","70.382","0.007","85.214","0.007","73.171","0.007","1499.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N6 O7 Zn -","- C30 H27 N6 O7 Zn -","- C60 H54 N12 O14 Zn2 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0388","0.0354","","","0.1152","0.1185","","","","","","1.039","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238365","7.785","0.002","9.037","0.002","17.055","0.004","102.021","0.003","96.298","0.003","100.567","0.003","1139.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O6 Zn -","- C24 H20 N4 O6 Zn -","- C48 H40 N8 O12 Zn2 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0575","0.042","","","0.1058","0.1273","","","","","","1.057","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238366","20.92","0.003","9.4373","0.0013","22.981","0.003","90","","108.736","0.002","90","","4296.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H66 N8 O35 Zn6 -","- C76 H66 N8 O35 Zn6 -","- C152 H132 N16 O70 Zn12 -","2","0.25","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.1183","0.0768","","","0.2389","0.2692","","","","","","1.069","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238367","10.5883","0.001","20.2922","0.0019","24.9206","0.0019","90","","111.197","0.003","90","","4992.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H102 N24 O27 Zn6 -","- C96 H102 N24 O27 Zn6 -","- C192 H204 N48 O54 Zn12 -","2","0.5","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0863","0.0463","","","0.0878","0.1049","","","","","","1.018","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238368","10.0224","0.0008","19.0867","0.0015","17.2808","0.0011","90","","120.691","0.003","90","","2842.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N6 O6 Zn -","- C28 H30 N6 O6 Zn -","- C112 H120 N24 O24 Zn4 -","4","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0452","0.0357","","","0.0957","0.1027","","","","","","1.049","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238369","9.352","0.003","10.119","0.003","13.485","0.004","83.211","0.003","72.583","0.003","75.07","0.003","1175.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N4 O8 Zn2 -","- C23 H20 N4 O8 Zn2 -","- C46 H40 N8 O16 Zn4 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0647","0.0407","","","0.1112","0.135","","","","","","1.06","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238370","23.033","0.01","23.033","0.01","15.607","0.003","90","","90","","90","","8280","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H61 Mn Mo8 N16 O44 P V6 -","- C56 H56 Mn Mo8 N16 O44 P V6 -","- C224 H224 Mn4 Mo32 N64 O176 P4 V24 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0855","0.0609","","","0.1631","0.178","","","","","","1.07","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238371","22.921","0.003","22.921","0.003","15.642","0.003","90","","90","","90","","8218","2","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H60 Mo9 N16 O44 P V5 Zn -","- C56 H56 Mo9 N16 O44 P V5 Zn -","- C224 H224 Mo36 N64 O176 P4 V20 Zn4 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0392","0.0332","","","0.0839","0.0861","","","","","","1.05","","","","has coordinates,has disorder","244130","2020-10-21","18:00:00",""
"7238372","22.878","0.009","22.878","0.009","15.853","0.003","90","","90","","90","","8298","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H64 Cu Mo9 N16 O46 P V5 -","- C56 H56 Cu Mo9 N16 O46 P V5 -","- C224 H224 Cu4 Mo36 N64 O184 P4 V20 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0818","0.0534","","","0.1234","0.1369","","","","","","1.046","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238373","13.28","0.003","13.476","0.003","14.623","0.003","109.29","0.03","116.85","0.03","97.96","0.03","2071.2","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H64 Cu3 Mo12 N16 O44 P -","- C56 H56 Cu3 Mo12 N16 O44 P -","- C56 H56 Cu3 Mo12 N16 O44 P -","1","0.5","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0717","0.0657","","","0.1639","0.1665","","","","","","1.074","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238374","12.051","0.002","15.155","0.003","15.989","0.006","90","","113.85","0.02","90","","2670.8","1.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Pentafluorophenyl-2,2,3,3,4,4,5,5,6,6-decafluorocylohexanol","1-Pentafluorophenyl-2,2,3,3,4,4,5,5,6,6-decafluorocylohexanol","","- C12 H F15 O -","- C12 H F15 O -","- C96 H8 F120 O8 -","8","2","","Trapp, Nils; Scherer, Harald; Hayes, Stuart A.; Berger, Raphael J. F.; Kütt, Agnes; Mitzel, Norbert W.; Saame, Jaan; Krossing, Ingo","The perfluorinated alcohols (F5C6)(F3C)2COH and (F5C6)(F10C5)COH: synthesis, theoretical and acidity studies, spectroscopy and structures in the solid state and the gas phase.","Physical chemistry chemical physics : PCCP","2011","13","13","6184","6191","10.1039/c0cp02596h","","","0.71073","MoKα","","0.0666","0.0476","","","0.1112","0.1212","","","","","","1.039","","","","has coordinates","244131","2020-10-21","18:00:00",""
"7238375","7.7752","0.0003","9.6284","0.0004","10.4511","0.0003","106.39","0.003","107.73","0.003","101.093","0.003","680.98","0.05","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H12 Cl2 N6 O -","- C11 H12 Cl2 N6 O -","- C22 H24 Cl4 N12 O2 -","2","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0587","0.0546","","","0.159","0.1628","","","","","","0.894","","","","has coordinates","244143","2020-10-21","18:00:00",""
"7238376","15.5808","0.001","9.689","0.0006","11.1057","0.0007","90","","91.312","0.003","90","","1676.1","0.18","90","2","90","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 N5 O3 -","- C16 H13 Cl2 N5 O3 -","- C64 H52 Cl8 N20 O12 -","4","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0494","0.0371","","","0.0872","0.0913","","","","","","1.041","","","","has coordinates","244143","2020-10-21","18:00:00",""
"7238377","7.0795","0.0003","17.7124","0.0007","15.9227","0.0007","90","","94.618","0.002","90","","1990.14","0.14","90","2","90","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N5 O6 -","- C15 H19 Cl2 N5 O6 -","- C60 H76 Cl8 N20 O24 -","4","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0388","0.0301","","","0.0747","0.0775","","","","","","1.067","","","","has coordinates","244143","2020-10-21","18:00:00",""
"7238378","11.209","0.002","12.6","0.003","14.572","0.003","91.81","0.03","111.78","0.03","107.79","0.03","1795.1","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Li, Yue-Qin; Fang, Run-Chen; Zheng, An-Min; Chu, Yue-Ying; Tao, Xian; Xu, Hui-Hua; Ding, Shi-Jin; Shen, Ying-Zhong","Nonvolatile memory devices based on polyimides bearing noncoplanar twisted biphenyl units containing carbazole and triphenylamine side-chain groups","Journal of Materials Chemistry","2011","21","39","15643","","10.1039/c1jm12453f","","","0.71073","MoKα","","0.1521","0.0825","","","0.173","0.2118","","","","","","1.155","","","","has coordinates","244151","2020-10-21","18:00:00",""
"7238379","14.0207","0.0002","9.8721","0.0001","19.5803","0.0003","90","","106.189","0.002","90","","2602.72","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H25 N3 -","- C37 H25 N3 -","- C148 H100 N12 -","4","1","","Chen, You-Ming; Hung, Wen-Yi; You, Hong-Wei; Chaskar, Atul; Ting, Hao-Chun; Chen, Hsiao-Fan; Wong, Ken-Tsung; Liu, Yi-Hung","Carbazole‒benzimidazole hybrid bipolar host materials for highly efficient green and blue phosphorescent OLEDs","Journal of Materials Chemistry","2011","21","38","14971","","10.1039/c1jm12598b","","","1.54178","CuKα","","0.0424","0.0362","","","0.1153","0.1212","","","","","","1.047","","","","has coordinates","244152","2020-10-21","18:00:00",""
"7238380","9.758","0.0012","12.2984","0.0013","18.563","0.002","99.104","0.003","103.488","0.002","102.84","0.002","2059.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 N2 S4 -","- C48 H48 N2 S4 -","- C96 H96 N4 S8 -","2","1","","Nishinaga, Tohru; Miyata, Toshihiko; Tateno, Masaki; Koizumi, Masahide; Takase, Masayoshi; Iyoda, Masahiko; Kobayashi, Norihito; Kunugi, Yoshihito","Synthesis and structural, electronic, optical and FET properties of thiophene‒pyrrole mixed hexamers end-capped with phenyl and pentafluorophenyl groups","Journal of Materials Chemistry","2011","21","38","14959","","10.1039/c1jm12966j","","","0.71073","MoKα","","0.1222","0.055","","","0.118","0.1615","","","","","","0.991","","","","has coordinates,has disorder","244153","2020-10-21","18:00:00",""
"7238381","5.5928","0.0011","10.505","0.002","18.392","0.004","104.347","0.004","93.216","0.004","90.447","0.004","1045","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H43 F5 N2 S4 -","- C48 H38 F5 N2 S4 -","- C48 H38 F5 N2 S4 -","1","0.5","","Nishinaga, Tohru; Miyata, Toshihiko; Tateno, Masaki; Koizumi, Masahide; Takase, Masayoshi; Iyoda, Masahiko; Kobayashi, Norihito; Kunugi, Yoshihito","Synthesis and structural, electronic, optical and FET properties of thiophene‒pyrrole mixed hexamers end-capped with phenyl and pentafluorophenyl groups","Journal of Materials Chemistry","2011","21","38","14959","","10.1039/c1jm12966j","","","0.71073","MoKα","","0.0552","0.0461","","","0.1525","0.1632","","","","","","1.328","","","","has coordinates,has disorder","244153","2020-10-21","18:00:00",""
"7238382","21.6483","0.0019","12.6193","0.001","12.9254","0.0011","90","","96.078","0.002","90","","3511.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H25 F12 N O -","- C42 H25 F12 N O -","- C168 H100 F48 N4 O4 -","4","1","","Niu, Fangfang; Niu, Hanben; Liu, Yawei; Lian, Jiarong; Zeng, Pengju","Synthesis, characterization and application of starburst 9-alkyl-1,3,6,8-tetraaryl-carbazole derivatives for blue-violet to UV OLEDs","RSC Advances","2011","1","3","415","","10.1039/c1ra00014d","","","0.71073","MoKα","","0.1131","0.056","","","0.142","0.1625","","","","","","0.879","","","","has coordinates","244154","2020-10-21","18:00:00",""
"7238383","14.1956","0.0012","13.5254","0.0011","12.3722","0.001","90","","98.992","0.001","90","","2346.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cd3 N2 O20 -","- C18 H12 Cd3 N2 O20 -","- C72 H48 Cd12 N8 O80 -","4","1","","Ma, Lu-Fang; Qin, Jian-Hua; Wang, Li-Ya; Li, Dong-Sheng","Two unique (4,5,6)-connected 2D CdII coordination polymers based on the 5-nitro-1,2,3-benzenetricarboxylate ligand","RSC Advances","2011","1","2","180","","10.1039/c1ra00119a","","","0.71073","MoKα","","0.0199","0.0175","","","0.043","0.0442","","","","","","1.083","","","","has coordinates","244155","2020-10-21","18:00:00",""
"7238384","11.5392","0.0013","25.502","0.003","7.6065","0.0008","90","","105.907","0.001","90","","2152.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cd3 N10 O18 -","- C38 H36 Cd3 N10 O18 -","- C76 H72 Cd6 N20 O36 -","2","0.5","","Ma, Lu-Fang; Qin, Jian-Hua; Wang, Li-Ya; Li, Dong-Sheng","Two unique (4,5,6)-connected 2D CdII coordination polymers based on the 5-nitro-1,2,3-benzenetricarboxylate ligand","RSC Advances","2011","1","2","180","","10.1039/c1ra00119a","","","0.71073","MoKα","","0.0279","0.0241","","","0.0532","0.0548","","","","","","1.088","","","","has coordinates,has disorder","244155","2020-10-21","18:00:00",""
"7238385","5.0573","0.0013","14.471","0.004","31.891","0.009","90","","90","","90","","2333.9","1.1","293","2","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","C30H28N2F2","C30H28N2F2","","- C30 H28 F2 N2 -","- C30 H28 F2 N2 -","- C120 H112 F8 N8 -","4","1","","Seo, Hoe-Joo; Song, Myungkwan; Jin, Sung-Ho; Choi, Jung Hei; Yun, Seong-Jae; Kim, Young-Inn","Blue phosphorescent iridium(iii) complexes containing carbazole-functionalized phenylpyridine for organic light-emitting diodes: energy transfer from carbazolyl moieties to iridium(iii) cores","RSC Advances","2011","1","5","755","","10.1039/c1ra00140j","","","0.71073","MoKα","","0.036","0.0335","","","0.0784","0.0802","","","","","","1.082","","","","has coordinates","244156","2020-10-21","18:00:00",""
"7238386","11.861","0.0016","15.811","0.002","17.483","0.002","84.901","0.002","73.443","0.002","80.682","0.002","3098.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 Cl Li N6 Ni3 O18 -","- C60 H70 Cl Li N6 Ni3 O18 -","- C120 H140 Cl2 Li2 N12 Ni6 O36 -","2","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.146","0.0524","","","0.0981","0.1349","","","","","","0.964","","","","has coordinates,has disorder","244157","2020-10-21","18:00:00",""
"7238387","15.934","0.003","14.92","0.002","18.255","0.003","90","","92.114","0.006","90","","4336.9","1.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 F6 N5 Ni2 O8 P -","- C40 H48 F6 N5 Ni2 O8 P -","- C160 H192 F24 N20 Ni8 O32 P4 -","4","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.0866","0.0436","","","0.1263","0.1546","","","","","","0.902","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238388","8.2","0.0006","21.5329","0.0014","14.1163","0.001","90","","104.627","0.003","90","","2411.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cl N2 Na Ni O9 -","- C21 H26 Cl N2 Na Ni O9 -","- C84 H104 Cl4 N8 Na4 Ni4 O36 -","4","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.1054","0.0478","","","0.127","0.1493","","","","","","1.075","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238389","18.056","0.003","19.572","0.003","18.29","0.003","90","","109.934","0.002","90","","6076.3","1.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 B N4 Na Ni2 O8 -","- C64 H64 B N4 Na Ni2 O8 -","- C256 H256 B4 N16 Na4 Ni8 O32 -","4","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.076","0.0452","","","0.1309","0.1483","","","","","","0.873","","","","has coordinates,has disorder","244157","2020-10-21","18:00:00",""
"7238390","16.0343","0.0019","16.0435","0.0019","25.379","0.003","83.81","0.002","83.857","0.002","68.346","0.002","6016.6","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H64 B N4 Ni2 O8 Rb -","- C64 H64 B N4 Ni2 O8 Rb -","- C256 H256 B4 N16 Ni8 O32 Rb4 -","4","2","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.1184","0.048","","","0.0968","0.113","","","","","","0.901","","","","has coordinates,has disorder","244157","2020-10-21","18:00:00",""
"7238391","13.56","0.0019","14.089","0.002","14.473","0.002","68.785","0.006","68.942","0.005","67.311","0.005","2299.2","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H47 Cl Cs N5 Ni2 O12 -","- C42 H47 Cl Cs N5 Ni2 O12 -","- C84 H94 Cl2 Cs2 N10 Ni4 O24 -","2","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.0769","0.0402","","","0.1191","0.154","","","","","","0.831","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238392","15.4418","0.0013","22.4552","0.0018","18.8479","0.0014","90","","94.555","0.002","90","","6514.8","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 Cl2 Mg N6 Ni3 O24 -","- C60 H66 Cl2 Mg N6 Ni3 O24 -","- C240 H264 Cl8 Mg4 N24 Ni12 O96 -","4","0.5","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.1042","0.0512","","","0.1356","0.1661","","","","","","0.934","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238393","16.101","0.005","13.981","0.005","13.162","0.004","90","","113.378","0.004","90","","2719.6","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Ca2 N8 Ni2 O23 -","- C40 H44 Ca2 N8 Ni2 O23 -","- C80 H88 Ca4 N16 Ni4 O46 -","2","0.5","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.0717","0.0514","","","0.1603","0.1705","","","","","","1.181","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238394","8.0768","0.0013","12.074","0.002","14.348","0.002","67.471","0.005","89.983","0.005","83.029","0.006","1281.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Cd N5 Ni O10 -","- C22 H25 Cd N5 Ni O10 -","- C44 H50 Cd2 N10 Ni2 O20 -","2","1","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.1169","0.0679","","","0.1724","0.1968","","","","","","1.075","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238395","14.2881","0.0012","13.7472","0.0011","12.8579","0.001","90","","105.288","0.002","90","","2436.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 N8 Ni2 O20 Pb2 -","- C40 H44 N8 Ni2 O20 Pb2 -","- C80 H88 N16 Ni4 O40 Pb4 -","2","0.5","","Sarkar, Sohini; Mohanta, Sasankasekhar","Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand","RSC Advances","2011","1","4","640","","10.1039/c1ra00144b","","","0.71073","MoKα","","0.0643","0.0363","","","0.0929","0.111","","","","","","0.995","","","","has coordinates","244157","2020-10-21","18:00:00",""
"7238396","13.598","0.0005","4.7885","0.0002","14.5449","0.0008","90","","112.389","0.005","90","","875.69","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 Cu N2 O4 -","- C7 H8 Cu N2 O4 -","- C28 H32 Cu4 N8 O16 -","4","1","","Mobin, Shaikh M.; Srivastava, Ashwini K.; Mathur, Pradeep; Lahiri, Goutam Kumar","Varying structural motifs in oxyanions (NO3−, CO32−) and phenoxyacetate (PhOAc−) bridged coordination polymers derived from alkoxo-bridged dicopper building blocks with {Cu2O2} core","RSC Advances","2011","1","5","893","","10.1039/c1ra00155h","","","0.71073","MoKα","","0.0226","0.0199","","","0.0529","0.0539","","","","","","1.09","","","","has coordinates","244158","2020-10-21","18:00:00",""
"7238397","18.0701","0.0007","6.6051","0.0003","15.6456","0.0007","90","","104.807","0.004","90","","1805.37","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 Cu2 N2 O9 -","- C15 H24 Cu2 N2 O9 -","- C60 H96 Cu8 N8 O36 -","4","0.5","","Mobin, Shaikh M.; Srivastava, Ashwini K.; Mathur, Pradeep; Lahiri, Goutam Kumar","Varying structural motifs in oxyanions (NO3−, CO32−) and phenoxyacetate (PhOAc−) bridged coordination polymers derived from alkoxo-bridged dicopper building blocks with {Cu2O2} core","RSC Advances","2011","1","5","893","","10.1039/c1ra00155h","","","0.71073","MoKα","","0.0546","0.0412","","","0.0913","0.0972","","","","","","0.985","","","","has coordinates","244158","2020-10-21","18:00:00",""
"7238398","4.794","0.005","24.697","0.005","11.5","0.005","90","0.005","93.631","0.005","90","0.005","1358.8","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cu N O4 -","- C15 H15 Cu N O4 -","- C60 H60 Cu4 N4 O16 -","4","1","","Mobin, Shaikh M.; Srivastava, Ashwini K.; Mathur, Pradeep; Lahiri, Goutam Kumar","Varying structural motifs in oxyanions (NO3−, CO32−) and phenoxyacetate (PhOAc−) bridged coordination polymers derived from alkoxo-bridged dicopper building blocks with {Cu2O2} core","RSC Advances","2011","1","5","893","","10.1039/c1ra00155h","","","0.71073","MoKα","","0.0601","0.045","","","0.1118","0.1192","","","","","","1.098","","","","has coordinates","244158","2020-10-21","18:00:00",""
"7238399","5.7762","0.0008","9.6032","0.0013","28.672","0.004","90","","90","","90","","1590.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl2 N2 O4 -","- C13 H15 Cl2 N2 O4 -","- C52 H60 Cl8 N8 O16 -","4","1","","Mei, Haibo; Han, Jianlin; Li, Guigen; Pan, Yi","KOH-catalyzed highly efficient aminohalogenation of β-nitrostyrenes with t-butyl N,N-dichlorocarbamate as nitrogen/halogen source","RSC Advances","2011","1","3","429","","10.1039/c1ra00174d","","","0.71073","MoKα","","0.0546","0.0517","","","0.1346","0.1374","","","","","","1.079","","","","has coordinates","244159","2020-10-21","18:00:00",""
"7238400","19.367","0.004","10.729","0.002","19.82","0.004","90","","96.45","0.03","90","","4092.3","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 B F15 O3 -","- C18 H6 B F15 O3 -","- C144 H48 B8 F120 O24 -","8","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0539","0.0387","","","0.0998","0.1059","","","","","","1.046","","","","has coordinates","244161","2020-10-21","18:00:00",""
"7238401","9.384","0.007","16.395","0.011","22.826","0.014","90","","92.49","0.05","90","","3508","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Ag B F15 N O6 -","- C30 H30 Ag B F15 N O6 -","- C120 H120 Ag4 B4 F60 N4 O24 -","4","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0595","0.0453","","","0.1089","0.116","","","","","","1.074","","","","has coordinates","244161","2020-10-21","18:00:00",""
"7238402","10.381","0.003","10.673","0.003","10.849","0.003","65.507","0.017","85.51","0.02","75.68","0.02","1059.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H10 B F15 O -","- C22 H10 B F15 O -","- C44 H20 B2 F30 O2 -","2","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0445","0.0382","","","0.1096","0.1143","","","","","","1.089","","","","has coordinates","244161","2020-10-21","18:00:00",""
"7238403","9.285","0.004","30.031","0.009","10.049","0.004","90","","105.14","0.03","90","","2704.8","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B F15 O3 -","- C26 H18 B F15 O3 -","- C104 H72 B4 F60 O12 -","4","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.09","0.0597","","","0.1708","0.1884","","","","","","1.079","","","","has coordinates,has disorder","244161","2020-10-21","18:00:00",""
"7238404","14.309","0.005","22.551","0.009","24.2","0.008","102.53","0.03","98.78","0.03","100.4","0.03","7347","5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C61.28 H50.56 B2 Cl2.56 F30 K2 O16 S -","- C61.279 H50.558 B2 Cl2.558 F30 K2 O16 S -","- C245.116 H202.232 B8 Cl10.232 F120 K8 O64 S4 -","4","2","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.085","0.048","","","0.1229","0.1384","","","","","","1.092","","","","has coordinates,has disorder","244161","2020-10-21","18:00:00",""
"7238405","10.11","0.002","10.95","0.004","13.482","0.004","75.23","0.03","81.81","0.02","82.94","0.02","1422.6","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 B F15 O4 -","- C28 H20 B F15 O4 -","- C56 H40 B2 F30 O8 -","2","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0575","0.0415","","","0.115","0.1235","","","","","","1.05","","","","has coordinates","244161","2020-10-21","18:00:00",""
"7238406","13.0444","0.0005","14.1638","0.0006","16.826","0.0007","90","","90.394","0.002","90","","3108.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 B F15 K N O5 -","- C26 H20 B F15 K N O5 -","- C104 H80 B4 F60 K4 N4 O20 -","4","1","","Becker, Martin; Schulz, Axel; Villinger, Alexander; Voss, Karsten","Stable sulfate and nitrate borane-adduct anions","RSC Advances","2011","1","1","128","","10.1039/c1ra00186h","","","0.71073","MoKα","","0.0672","0.0416","","","0.1143","0.1267","","","","","","1.08","","","","has coordinates,has disorder","244161","2020-10-21","18:00:00",""
"7238407","23.047","0.01","23.329","0.01","17.388","0.007","90","","95.974","0.013","90","","9298","7","84","2","84","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H39 B2 F8 Fe N12 O1.5 -","- C42 H39 B2 F8 Fe N12 O1.5 -","- C336 H312 B16 F64 Fe8 N96 O12 -","8","1","","Olguín, Juan; Jameson, Guy N. L.; Brooker, Sally","Two mononuclear iron(ii) complexes of 4-phenylpyrazole-5-carbaldehyde derived ligands are stabilised in different spin states","RSC Advances","2011","1","1","52","","10.1039/c1ra00190f","","","0.71073","MoKα","","0.2899","0.1208","","","0.3067","0.396","","","","","","1.026","","","","has coordinates,has disorder","244162","2020-10-21","18:00:00",""
"7238408","8.587","0.005","18.369","0.005","12.335","0.005","90","0.005","92.329","0.005","90","0.005","1944","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-chlorophenyl)(1,2,3,5-tetrahydro-5-(4-methoxyphenyl) -6-nitroimidazo[1,2-a]pyridin-8-yl)methanone","(4-chlorophenyl)(1,2,3,5-tetrahydro-5-(4-methoxyphenyl) -6-nitroimidazo[1,2-a]pyridin-8-yl)methanone","","- C21 H18 Cl N3 O4 -","- C21 H18 Cl N3 O4 -","- C84 H72 Cl4 N12 O16 -","4","1","","Yu, Fuchao; Yan, Shengjiao; Huang, Rong; Tang, Yajuan; Lin, Jun","Three-component solvent-free synthesis of highly substituted tetra-hydroimidazo[1,2-a]pyridines","RSC Advances","2011","1","4","596","","10.1039/c1ra00242b","","","0.71073","MoKα","","0.1427","0.0479","","","0.1085","0.145","","","","","","0.937","","","","has coordinates","244163","2020-10-21","18:00:00",""
"7238409","27.703","0.008","5.8189","0.0016","12.466","0.003","90","","103.008","0.005","90","","1958","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 Br O2 P -","- C21 H20 Br O2 P -","- C84 H80 Br4 O8 P4 -","4","1","","Luo, Xiaoyan; Zhou, Zhiqiang; Li, Xin; Liang, Xinmiao; Ye, Jinxing","Enantioselective organocatalytic phospha-Michael reaction of α,β-unsaturated aldehydes","RSC Advances","2011","1","4","698","","10.1039/c1ra00269d","","","0.71073","MoKα","","0.1013","0.0681","","","0.1598","0.1837","","","","","","0.971","","","","has coordinates","244164","2020-10-21","18:00:00",""
"7238410","8.14","0.002","8.211","0.002","18.95","0.003","90","","90","","90","","1266.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(1<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-5-iodo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0171","0.0166","","","0.0419","0.042","","","","","","1.089","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238411","8.14","0.002","8.21","0.002","18.954","0.003","90","","90","","90","","1266.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(1<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-iodo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0157","0.0154","","","0.038","0.0381","","","","","","1.09","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238412","9.69","0.002","11.404","0.002","12.212","0.003","79.09","0.04","84.2","0.03","86.93","0.03","1317.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(+/-)-<i>c</i>-5-iodo-<i>t</i>-4-isopropyl-<i>r</i> -1-methyl-7-oxa-<i>cis</i>-bicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","2","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0272","0.0218","","","0.0514","0.0526","","","","","","1.091","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238413","7.951","0.002","8.165","0.002","19.191","0.003","90","","90","","90","","1245.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(1<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-5-bromo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 Br O2 -","- C12 H19 Br O2 -","- C48 H76 Br4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.027","0.0239","","","0.0565","0.0573","","","","","","1.024","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238414","7.954","0.002","8.158","0.002","19.177","0.004","90","","90","","90","","1244.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(1<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-bromo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 Br O2 -","- C12 H19 Br O2 -","- C48 H76 Br4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0758","0.0489","","","0.0583","0.0627","","","","","","1.011","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238415","17.517","0.003","10.774","0.002","6.906","0.002","90","","97.6","0.03","90","","1291.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)-<i>c</i>-5-iodo-<i>c</i>-4-isopropyl-<i>r</i> -1-methyl-7-oxa-<i>cis</i>-bicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0435","0.039","","","0.1035","0.1058","","","","","","1.012","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238416","17.359","0.003","10.889","0.002","6.611","0.002","90","","99.36","0.03","90","","1233","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)-<i>c</i>-5-bromo-<i>c</i>-4-isopropyl-<i>r</i> -1-methyl-7-oxa-<i>cis</i>-bicyclo[4.3.0]nonan-8-one","","- C12 H19 Br O2 -","- C12 H19 Br O2 -","- C48 H76 Br4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0338","0.0234","","","0.0557","0.0577","","","","","","0.964","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238417","6.566","0.002","10.89","0.003","33.558","0.004","90","","90.6","0.03","90","","2399.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)-<i>c</i>-5-chloro-<i>c</i>-4-isopropyl-<i>r</i>-1-methyl-7 -oxa-<i>cis</i>-bicyclo[4.3.0]nonan-8-one","","- C12 H19 Cl O2 -","- C12 H19 Cl O2 -","- C96 H152 Cl8 O16 -","8","2","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0467","0.0368","","","0.0912","0.0944","","","","","","1.083","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238418","14.9136","0.0007","9.0945","0.0005","18.616","0.0009","90","","98.612","0.002","90","","2496.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F6 N4 O2 S -","- C24 H24 F6 N4 O2 S -","- C96 H96 F24 N16 O8 S4 -","4","1","","Jamir, Latonglila; Khatun, Nilufa; Patel, Bhisma K.","The oxidative cleavage of an anti-Hugerschoff product: a mild environmentally benign one pot synthesis of ureas from isothiocyanates","RSC Advances","2011","1","3","447","","10.1039/c1ra00278c","","","0.71073","MoKα","","0.0916","0.0709","","","0.2116","0.2336","","","","","","1.056","","","","has coordinates","244166","2020-10-21","18:00:00",""
"7238419","8.0909","0.0003","15.7683","0.0006","8.4586","0.0003","90","","104.174","0.002","90","","1046.29","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Jamir, Latonglila; Khatun, Nilufa; Patel, Bhisma K.","The oxidative cleavage of an anti-Hugerschoff product: a mild environmentally benign one pot synthesis of ureas from isothiocyanates","RSC Advances","2011","1","3","447","","10.1039/c1ra00278c","","","0.71073","MoKα","","0.0603","0.0381","","","0.0946","0.1018","","","","","","0.992","","","","has coordinates","244166","2020-10-21","18:00:00",""
"7238420","17.303","0.006","9.051","0.003","43.048","0.016","90","","95.68","0.003","90","","6709","4","150","","150","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C64 H76 Cl2 N6 O16 -","- C64 H76 Cl2 N6 O16 -","- C256 H304 Cl8 N24 O64 -","4","1","","Evans, Nicholas H.; Allinson, Emma S. H.; Lankshear, Michael D.; Ng, Ka-Yuen; Cowley, Andrew R.; Serpell, Christopher J.; Santos, Sérgio M.; Costa, Paulo J.; Félix, Vítor; Beer, Paul D.","Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media","RSC Advances","2011","1","6","995","","10.1039/c1ra00394a","","","0.6889","Synchrotron","","0.1401","0.1122","","0.2862","0.2568","0.2862","","","","","","0.9782","","","","has coordinates","244167","2020-10-21","18:00:00",""
"7238421","30.0276","0.0003","23.8378","0.0003","8.9679","0.0002","90","","90","","90","","6419.15","0.18","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C64 H76 Cl F6 N6 O16 P -","- C64 H76 Cl F6 N6 O16 P -","- C256 H304 Cl4 F24 N24 O64 P4 -","4","1","","Evans, Nicholas H.; Allinson, Emma S. H.; Lankshear, Michael D.; Ng, Ka-Yuen; Cowley, Andrew R.; Serpell, Christopher J.; Santos, Sérgio M.; Costa, Paulo J.; Félix, Vítor; Beer, Paul D.","Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media","RSC Advances","2011","1","6","995","","10.1039/c1ra00394a","","","0.71073","MoKα","","0.0702","0.0407","","0.0664","0.0459","0.0459","","","","","","1.1343","","","","has coordinates","244167","2020-10-21","18:00:00",""
"7238422","19.6106","0.0004","19.6106","0.0004","31.5616","0.0008","90","","90","","120","","10511.7","0.4","150","","150","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C96 H131 N9 O40 S2 -","- C96 H131 N9 O39.5552 S2 -","- C384 H524 N36 O158.221 S8 -","4","0.333333","","Evans, Nicholas H.; Allinson, Emma S. H.; Lankshear, Michael D.; Ng, Ka-Yuen; Cowley, Andrew R.; Serpell, Christopher J.; Santos, Sérgio M.; Costa, Paulo J.; Félix, Vítor; Beer, Paul D.","Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media","RSC Advances","2011","1","6","995","","10.1039/c1ra00394a","","","0.6889","Synchrotron","","0.1488","0.1447","","0.3538","0.3511","0.3538","","","","","","0.979","","","","has coordinates,has disorder","244167","2020-10-21","18:00:00",""
"7238425","17.9609","0.0005","7.74529","0.00016","23.9193","0.0007","90","","112.645","0.003","90","","3070.95","0.15","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cl2 N O2 Te -","- C14 H15 Cl2 N O2 Te -","- C112 H120 Cl16 N8 O16 Te8 -","8","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","0.71073","MoKα","","0.0202","0.0189","","","0.0442","0.0446","","","","","","1.239","","","","has coordinates","244169","2020-10-21","18:00:00",""
"7238426","13.6291","0.0004","6.878","0.0003","19.3019","0.0007","90","","109.336","0.004","90","","1707.32","0.12","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl2 N O2 Te -","- C13 H19 Cl2 N O2 Te -","- C52 H76 Cl8 N4 O8 Te4 -","4","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","0.71073","MoKα","","0.1106","0.0438","","","0.1062","0.1234","","","","","","0.91","","","","has coordinates,has disorder","244169","2020-10-21","18:00:00",""
"7238427","20.3174","0.0008","7.3678","0.0003","17.7571","0.0008","90","","115.656","0.005","90","","2396.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br6 Te2 -","- C20 H14 Br6 Te2 -","- C80 H56 Br24 Te8 -","4","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","0.71073","MoKα","","0.0963","0.0686","","","0.1748","0.1942","","","","","","1.033","","","","has coordinates","244169","2020-10-21","18:00:00",""
"7238428","10.0476","0.0004","10.8133","0.0003","11.8837","0.0005","91.27","0.003","112.652","0.004","95.227","0.003","1184.28","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 Cl4 N2 O2 Te -","- C20 H25 Cl4 N2 O2 Te -","- C40 H50 Cl8 N4 O4 Te2 -","2","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","0.71073","MoKα","","0.0364","0.0249","","","0.054","0.0564","","","","","","1.005","","","","has coordinates,has disorder","244169","2020-10-21","18:00:00",""
"7238429","28.4093","0.001","9.5781","0.0002","13.1483","0.0004","90","","112.596","0.004","90","","3303.11","0.19","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Br2 N2 O4 Te -","- C12 H16 Br2 N2 O4 Te -","- C96 H128 Br16 N16 O32 Te8 -","8","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Controlled hydrolysis of aryltellurium trichlorides using 2-pyrrolidinones: isolation and structural characterization of monomeric aryltellurium(IV) monohydroxides","RSC Advances","2011","1","5","808","","10.1039/c1ra00409c","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","244169","2020-10-21","18:00:00",""
"7238431","7.437","0.015","6.48","0.013","10.87","0.02","90","","90.185","0.017","90","","523.8","1.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H7 Br N2 O4 -","- C9 H7 Br N2 O4 -","- C18 H14 Br2 N4 O8 -","2","1","","Zhang, Yong; Jun Li, Zhi; Sen Xu, Hai; Zhang, Yuan; Wang, Wei","Organocatalytic asymmetric Henry reaction of isatins: Highly enantioselective synthesis of 3-hydroxy-2-oxindoles","RSC Advances","2011","1","3","389","","10.1039/c1ra00477h","","","0.71073","MoKα","","0.0776","0.0488","","","0.1074","0.1191","","","","","","0.981","","","","has coordinates","244171","2020-10-21","18:00:00",""
"7238432","9.707","0.005","10.54","0.006","15.245","0.008","98.505","0.008","103.665","0.007","101.424","0.007","1454.2","1.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H30 Cl2 O3 -","- C37 H30 Cl2 O3 -","- C74 H60 Cl4 O6 -","2","1","","Takaki, Ken; Shiraishi, Kazuhiro; Okinaga, Kosuke; Takahashi, Shintaro; Komeyama, Kimihiro","NHC-catalyzed reaction of enals with unactivated enones: substituent effect on the formation of 1 : 1 and 1 : 2 adducts","RSC Advances","2011","1","9","1799","","10.1039/c1ra00482d","","","0.71073","MoKα","","0.0713","0.0546","","","0.1522","0.1623","","","","","","1.077","","","","has coordinates","244172","2020-10-21","18:00:00",""
"7238433","9.3438","0.0006","17.6011","0.0012","10.3662","0.0008","90","","118.673","0.002","90","","1495.78","0.18","200.1","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Takaki, Ken; Shiraishi, Kazuhiro; Okinaga, Kosuke; Takahashi, Shintaro; Komeyama, Kimihiro","NHC-catalyzed reaction of enals with unactivated enones: substituent effect on the formation of 1 : 1 and 1 : 2 adducts","RSC Advances","2011","1","9","1799","","10.1039/c1ra00482d","","","0.71075","MoKα","","","0.0427","","","","0.0653","","","","","","1.009","","","","has coordinates","244172","2020-10-21","18:00:00",""
"7238437","17.241","0.003","34.415","0.005","8.1449","0.0012","90","","90","","90","","4832.8","1.3","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H15 N3 -","- C12 H15 N3 -","- C192 H240 N48 -","16","1","","Zhan, Shun-Ze; Li, Mian; Zhou, Xiao-Ping; Li, Dan; Weng Ng, Seik","Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores","RSC Advances","2011","1","8","1457","","10.1039/c1ra00566a","","","0.71073","MoKα","","0.1248","0.0611","","","0.1631","0.2047","","","","","","0.994","","","","has coordinates","244174","2020-10-21","18:00:00",""
"7238438","13.6702","0.0002","17.3216","0.0003","17.4721","0.0002","84.649","0.001","79.662","0.001","77.636","0.001","3969.18","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H86 Cu9 I3 N18 O -","- C72 H86 Cu9 I3 N18 O -","- C144 H172 Cu18 I6 N36 O2 -","2","1","","Zhan, Shun-Ze; Li, Mian; Zhou, Xiao-Ping; Li, Dan; Weng Ng, Seik","Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores","RSC Advances","2011","1","8","1457","","10.1039/c1ra00566a","","","0.71073","MoKα","","0.0806","0.0453","","","0.1117","0.138","","","","","","1.058","","","","has coordinates,has disorder","244174","2020-10-21","18:00:00",""
"7238439","14.6484","0.0003","14.7423","0.0005","21.7997","0.0004","90.488","0.002","100.351","0.002","117.859","0.003","4071.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 Cu9 I3 N18 -","- C72 H84 Cu9 I3 N18 -","- C144 H168 Cu18 I6 N36 -","2","1","","Zhan, Shun-Ze; Li, Mian; Zhou, Xiao-Ping; Li, Dan; Weng Ng, Seik","Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores","RSC Advances","2011","1","8","1457","","10.1039/c1ra00566a","","","0.71073","MoKα","","0.0629","0.0415","","","0.083","0.0934","","","","","","1.085","","","","has coordinates","244174","2020-10-21","18:00:00",""
"7238440","11.116","0.003","11.742","0.004","18.141","0.006","108.857","0.004","99.704","0.005","100.613","0.005","2135.2","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 Cl N2 O P2 Rh -","- C53 H42 Cl N2 O P2 Rh -","- C106 H84 Cl2 N4 O2 P4 Rh2 -","2","1","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0712","0.0516","","","0.1077","0.1151","","","","","","1.048","","","","has coordinates","244175","2020-10-21","18:00:00",""
"7238441","11.8442","0.0002","11.9633","0.0003","17.3738","0.0004","72.165","0.001","70.511","0.001","79.475","0.001","2200.31","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 Cl N2 O P2 Rh -","- C53 H42 Cl N2 O P2 Rh -","- C106 H84 Cl2 N4 O2 P4 Rh2 -","2","1","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0489","0.0301","","","0.0548","0.0619","","","","","","1.009","","","","has coordinates","244175","2020-10-21","18:00:00",""
"7238442","17.5179","0.0002","16.3586","0.0001","18.225","","90","","109.979","0.001","90","","4908.39","0.07","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H44 Cl3 N2 O P2 Rh -","- C57 H44 Cl3 N2 O P2 Rh -","- C228 H176 Cl12 N8 O4 P8 Rh4 -","4","1","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0844","0.0459","","","0.1062","0.1264","","","","","","0.991","","","","has coordinates","244175","2020-10-21","18:00:00",""
"7238443","11.905","0.003","17.478","0.004","22.043","0.005","90","","95.527","0.004","90","","4565.3","1.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 Cl N2 O P2 Rh -","- C56 H42 Cl N2 O P2 Rh -","- C224 H168 Cl4 N8 O4 P8 Rh4 -","4","1","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0999","0.0967","","","0.1962","0.1981","","","","","","1.172","","","","has coordinates","244175","2020-10-21","18:00:00",""
"7238444","24.4771","0.0003","9.2446","0.0002","21.6235","0.0001","90","","116.365","0.001","90","","4384.03","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H42 Cl N2 O P2 Rh -","- C53 H42 Cl N2 O P2 Rh -","- C212 H168 Cl4 N8 O4 P8 Rh4 -","4","0.5","","Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki","C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates","RSC Advances","2011","1","7","1279","","10.1039/c1ra00572c","","","0.71073","MoKα","","0.0372","0.0277","","","0.0644","0.0684","","","","","","1.048","","","","has coordinates,has disorder","244175","2020-10-21","18:00:00",""
"7238449","9.8648","0.0009","29.44","0.002","13.921","0.0013","90","","94.89","0.002","90","","4028.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N14 O4 -","- C40 H34 Co N14 O4 -","- C160 H136 Co4 N56 O16 -","4","1","","Hu, Tuoping; Zhao, Xiaoliang; Hu, Xiaoqin; Xu, Yumin; Sun, Di; Sun, Daofeng","Two novel isomeric organic anion-water aggregations: 1D tape and 3D 2-fold interpenetrated diamond network","RSC Advances","2011","1","9","1682","","10.1039/c1ra00695a","","","0.71073","MoKα","","0.0681","0.0423","","","0.0918","0.104","","","","","","1.013","","","","has coordinates","244179","2020-10-21","18:00:00",""
"7238450","16.2028","0.0003","16.2028","0.0003","24.4818","0.0009","90","","90","","90","","6427.2","0.3","173","2","173","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C30 H26 Co N12 O4 -","- C30 H26 Co N12 O4 -","- C240 H208 Co8 N96 O32 -","8","0.5","","Hu, Tuoping; Zhao, Xiaoliang; Hu, Xiaoqin; Xu, Yumin; Sun, Di; Sun, Daofeng","Two novel isomeric organic anion-water aggregations: 1D tape and 3D 2-fold interpenetrated diamond network","RSC Advances","2011","1","9","1682","","10.1039/c1ra00695a","","","0.71073","MoKα","","0.0799","0.0372","","","0.0743","0.0891","","","","","","0.988","","","","has coordinates","244179","2020-10-21","18:00:00",""
"7242184","8.2933","0.0003","9.051","0.0003","9.0781","0.0003","97.574","0.002","96.833","0.002","111.473","0.002","618.18","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe N6 O2 S2 -","- C24 H24 Fe N6 O2 S2 -","- C24 H24 Fe N6 O2 S2 -","1","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0275","0.0255","","","0.0751","0.0768","","","","","","1.056","","","","has coordinates","261270","2021-01-27","16:26:17",""
"7242185","8.6187","0.0004","8.9469","0.0004","9.1211","0.0004","94.987","0.002","111.423","0.002","97.27","0.002","642.69","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe N6 O2 Se2 -","- C24 H24 Fe N6 O2 Se2 -","- C24 H24 Fe N6 O2 Se2 -","1","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0191","0.0175","","","0.0478","0.0486","","","","","","1.055","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242186","8.6506","0.0003","9.2253","0.0003","14.1506","0.0004","90","","94.43","0.002","90","","1125.91","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Fe N6 S2 -","- C22 H16 Fe N6 S2 -","- C44 H32 Fe2 N12 S4 -","2","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0438","0.0342","","","0.087","0.095","","","","","","1.035","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242187","17.053","0.008","10.562","0.005","18.44","0.009","90","","99.51","0.03","90","","3276","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl6 Fe N6 S2 -","- C24 H18 Cl6 Fe N6 S2 -","- C96 H72 Cl24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0938","0.0623","","","0.1605","0.1892","","","","","","1.089","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242188","17.1155","0.0003","10.4757","0.0002","18.5942","0.0003","90","","98.979","0.001","90","","3293.03","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br6 Fe N6 S2 -","- C24 H18 Br6 Fe N6 S2 -","- C96 H72 Br24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0588","0.0477","","","0.1188","0.126","","","","","","1.071","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242189","9.8578","0.0013","12.8582","0.0015","13.1284","0.0016","90","","96.601","0.006","90","","1653","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl6 Fe N6 Se2 -","- C24 H18 Cl6 Fe N6 Se2 -","- C48 H36 Cl12 Fe2 N12 Se4 -","2","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0593","0.0392","","","0.0927","0.1","","","","","","1.082","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242190","16.7183","0.001","11.0655","0.0006","11.7733","0.0007","90","","127.456","0.002","90","","1728.96","0.18","200","2","200","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H18 Br6 Fe N6 Se2 -","- C24 H18 Br6 Fe N6 Se2 -","- C48 H36 Br12 Fe2 N12 Se4 -","2","0.25","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0982","0.0625","","","0.158","0.1799","","","","","","1.041","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7702883","11.8184","0.0002","11.02252","0.00016","18.9571","0.0002","90","","90","","90","","2469.51","0.06","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C21 H25 Cl2 Fe N9 O2 -","- C21 H25 Cl2 Fe N9 O2 -","- C84 H100 Cl8 Fe4 N36 O8 -","4","0.5","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","1.5418","CuKα","","0.0303","0.0293","","","0.078","0.0783","","","","","","1.045","","","","has coordinates,has disorder","244150","2020-10-21","18:00:00",""
"7702884","21.641","0.004","22.294","0.004","9.5986","0.0019","90","","90","","90","","4631","1.5","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C20 H21 Cl2 Fe N9 O -","- C20 H21 Cl2 Fe N9 O -","- C160 H168 Cl16 Fe8 N72 O8 -","8","0.5","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","0.7107","MoKα","","0.0278","0.0234","","","0.0663","0.0678","","","","","","1.096","","","","has coordinates,has disorder","244150","2020-10-21","18:00:00",""
"7702885","12.987","0.0002","16.2105","0.0002","14.3844","0.0002","90","","106.26","0.001","90","","2907.16","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25.39 H32.48 Cl2 Fe N9 O1.35 -","- C25.392 H32.48 Cl2 Fe N9 O1.348 -","- C101.568 H129.92 Cl8 Fe4 N36 O5.392 -","4","1","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","1.54178","CuKα","","0.0406","0.0349","","","0.0869","0.0891","","","","","","1.006","","","","has coordinates,has disorder","244150","2020-10-21","18:00:00",""
"7702886","14.3222","0.0002","12.9169","0.0002","17.1494","0.0002","90","","90","","90","","3172.61","0.08","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H41 Cl2 Fe N9 O2 -","- C29 H41 Cl2 Fe N9 O2 -","- C116 H164 Cl8 Fe4 N36 O8 -","4","0.5","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","1.54178","CuKα","","0.0393","0.0352","","","0.0775","0.079","","","","","","1.063","","","","has coordinates,has disorder","244150","2020-10-21","18:00:00",""
"7702887","8.7842","0.0002","12.5916","0.0004","13.7985","0.0004","78.599","0.002","84.392","0.002","88.69","0.001","1488.93","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H37 Br0.11 Cl1.89 Fe N9 O -","- C28 H37 Br0.108 Cl1.892 Fe N9 O -","- C56 H74 Br0.216 Cl3.784 Fe2 N18 O2 -","2","1","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","1.54178","CuKα","","0.0562","0.041","","","0.0886","0.093","","","","","","1.032","","","","has coordinates,has disorder","244150","2020-10-21","18:00:00",""
"7702888","8.8463","0.0002","14.8263","0.0003","27.2431","0.0005","87.1914","0.0015","80.8572","0.0017","87.1666","0.0017","3520.37","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32.75 H41 Cl2 Fe N9 O1.75 -","- C32.75 H41 Cl2 Fe N9 O1.75 -","- C131 H164 Cl8 Fe4 N36 O7 -","4","2","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","0.7107","MoKα","","0.0769","0.0502","","","0.1358","0.1444","","","","","","1.087","","","","has coordinates,has disorder","244150","2020-10-21","18:00:00",""
"7702889","10.5496","0.0002","19.4285","0.0003","12.0185","0.0002","90","","90.04","0.001","90","","2463.35","0.07","270","2","270","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl4 Fe N9 -","- C20 H19 Cl4 Fe N9 -","- C80 H76 Cl16 Fe4 N36 -","4","1","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","1.54178","CuKα","","0.0491","0.0444","","","0.1224","0.1262","","","","","","0.995","","","","has coordinates","244150","2020-10-21","18:00:00",""
"8000074","5.9686","0.0001","13.7161","0.0004","22.6208","0.0006","90","","90","","90","","1851.87","0.08","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H16 O2 S2 -","- C23 H16 O2 S2 -","- C92 H64 O8 S8 -","4","0.5","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0571","0.0433","","","0.1125","0.1212","","","","","","1.06","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000075","16.9741","0.0004","6.496","0.0002","7.1152","0.0002","90","","91.0088","0.0013","90","","784.43","0.04","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H12 O S2 -","- C21 H12 O S2 -","- C42 H24 O2 S4 -","2","0.5","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0315","0.0292","","","0.0769","0.0786","","","","","","1.067","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000076","14.8678","0.0004","7.5297","0.0001","16.9934","0.0005","90","","95.7169","0.0012","90","","1892.95","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 N2 S2 -","- C24 H12 N2 S2 -","- C96 H48 N8 S8 -","4","1","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0531","0.0368","","","0.0848","0.0933","","","","","","1.027","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000077","8.8519","0.0002","9.6987","0.0002","13.1288","0.0003","70.3916","0.001","78.2754","0.0013","82.4345","0.0013","1037.15","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H6 F10 O2 S2 -","- C23 H6 F10 O2 S2 -","- C46 H12 F20 O4 S4 -","2","1","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0751","0.066","","","0.188","0.1919","","","","","","1.137","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000078","16.8693","0.0005","7.6992","0.0002","32.7451","0.0009","90","","96.783","0.0012","90","","4223.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H2 F10 N2 S2 -","- C24 H2 F10 N2 S2 -","- C192 H16 F80 N16 S16 -","8","2","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.1085","0.0523","","","0.0883","0.1035","","","","","","1.004","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000079","8.3262","0.0003","9.9514","0.0004","12.7866","0.0005","112.274","0.002","99.195","0.002","91.288","0.003","963.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H11 F5 O2 S2 -","- C23 H11 F5 O2 S2 -","- C46 H22 F10 O4 S4 -","2","1","","Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S.","Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties","The Journal of Physical Chemistry Letters","2011","2","6","648","","10.1021/jz200126s","","","0.71073","MoKα","","0.0598","0.0386","","","0.0893","0.0988","","","","","","1.095","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000080","6.2952","0.0013","13.29","0.003","17.297","0.004","90","","101.4","0.03","90","","1418.6","0.6","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C33 H30 F6 N2 -","- C33 H30 F6 N2 -","- C66 H60 F12 N4 -","2","1","","Dou, Chuandong; Han, Liang; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multi-Stimuli-Responsive Fluorescence Switching of a Donor−Acceptor π-Conjugated Compound","The Journal of Physical Chemistry Letters","2011","2","6","666","","10.1021/jz200140c","","","0.71073","MoKα","","0.2184","0.0909","","","0.2118","0.2745","","","","","","0.993","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000081","10.6905","0.0004","10.6905","0.0004","12.9823","0.0004","90","","90","","90","","1483.71","0.09","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H15 N4 O6 -","- C13 H15 N4 O6 -","- C52 H60 N16 O24 -","4","1","","Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji","An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals","The Journal of Physical Chemistry Letters","2011","2","24","3036","","10.1021/jz2014105","","","1.54178","CuKα","","0.0388","0.0384","","","0.0898","0.0905","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8000082","10.6835","0.0003","10.6835","0.0003","12.9899","0.0004","90","","90","","90","","1482.63","0.07","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H15 N4 O6 -","- C13 H15 N4 O6 -","- C52 H60 N16 O24 -","4","1","","Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji","An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals","The Journal of Physical Chemistry Letters","2011","2","24","3036","","10.1021/jz2014105","","","1.54178","CuKα","","0.0432","0.0417","","","0.096","0.0976","","","","","","1.141","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000083","5.2307","0.0001","9.6701","0.0002","15.5374","0.0003","90","","98.565","0.002","90","","777.14","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Tang, Kuo-Chun; Chen, Chyi-Lin; Chuang, Hsiao-Han; Chen, Jien-Lian; Chen, Yi-Ju; Lin, Yi-Chih; Shen, Jiun-Yi; Hu, Wei-Ping; Chou, Pi-Tai","A Genuine Intramolecular Proton Relay System Undergoing Excited-State Double Proton Transfer Reaction","The Journal of Physical Chemistry Letters","2011","2","24","3063","","10.1021/jz201439w","","","1.54178","CuKα","","0.045","0.0413","","","0.1099","0.1145","","","","","","1.072","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103066","12.1457","0.0008","16.549","0.001","15.91","0.001","90","","101.995","0.001","90","","3128.1","0.3","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 As2 Mn2 O8 -","- C32 H20 As2 Mn2 O8 -","- C128 H80 As8 Mn8 O32 -","4","1","","Ernst Horn; Hokura Horikawa; Akio Urushiyama; Keiko Miyamoto","Crystal structure of bis[(tetracarbonyl)(μ-arsenodiphenyl)manganese(I)], Mn2(CO)8(AsPh3)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","37","","","","","0.7107","MoKα","","","0.0269","","","","0.0284","","","","","","0.129","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103067","15.2137","0.0012","21.3255","0.0017","6.9479","0.0006","90","","102.16","0.002","90","","2203.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyrimidine-κ^2^N,N')dibromoplatinum(II)","","- C8 H6 Br2 N4 Pt -","- C8 H6 Br2 N4 Pt -","- C64 H48 Br16 N32 Pt8 -","8","2","","Kwang Ha","Crystal structure of dibromo(2,2'-bipyrimidine-κ2N,N')platinum(II), PtBr2(C8H6N4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","53","","","","","0.71073","MoKα","","0.0819","0.0427","","","0.0772","0.0921","","","","","","0.96","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103068","12.7035","0.0013","11.0116","0.0011","10.0708","0.001","90","","105.438","0.001","90","","1357.9","0.2","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N'-(3-Phenylallylidene)isonicotinohydrazide-water (2:1): C~15~H~13~N~3~O~2~.H~2~O","","- C15 H14 N3 O1.5 -","- C15 H14 N3 O1.5 -","- C60 H56 N12 O6 -","4","2","","Liu-Shui Yan; De-He Huang; Yuan Chen","Refinement of the crystal structure of bis[N'-(3-phenylallylidene)isonicotinohydrazide] hydrate, 2C15H13N3O · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","135","","","","","0.71073","MoKα","","0.0606","0.0369","","","0.069","0.0775","","","","","","0.993","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103069","8.1744","0.0004","15.4829","0.0008","10.9577","0.0006","90","","93.683","0.003","90","","1383.98","0.12","296","2","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(biimidazole-κ~2~N,N')bis(perchlorate-κO)-copper(II) N,N-dimethylformamide(1:1), [Cu(C~6~H~6~N~4~)~2~(ClO~4~)~2~].DMF","","- C18 H26 Cl2 Cu N10 O10 -","- C18 H26 Cl2 Cu N10 O10 -","- C36 H52 Cl4 Cu2 N20 O20 -","2","0.5","","Yuan-Yuan Zhang; Wei Yang; Qiong-Hua Jin; Hao Liu; Cun-Lin Zhang","Crystal structure of bis(biimidazole-κ2N,N')bis(perchlorato-κO)copper(II) — N,N-dimethylformamide (1:1), Cu(C6H6N4)2(ClO4)2 · C3H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","51","","","","","0.71073","MOKα","","0.0569","0.0489","","","0.1475","0.1552","","","","","","1.069","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103070","14.1952","0.0007","7.4719","0.0004","22.6302","0.0012","90","","90","","90","","2400.3","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Bis(2-pyridyl)imido)chloroplatinum(II)","","- C12 H8 Cl N3 O2 Pt -","- C12 H8 Cl N3 O2 Pt -","- C96 H64 Cl8 N24 O16 Pt8 -","8","1","","Kwang Ha","Crystal structure of (bis(2-pyridyl)imido)chloroplatinum(II), PtCl(C12H8N3O2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","55","","","","","0.71073","MoKα","","0.0777","0.0336","","","0.0596","0.0789","","","","","","1.028","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103071","9.501","0.005","18.589","0.005","10.296","0.005","90","0.005","96.572","0.005","90","0.005","1806.5","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-(1,2-propanediyl)bis(1H-benzimidazole) (2,3-dihydroxybutanedioic acid)Zinc(II), C~19~H~15.47~N~4~O~3~Zn","","- C19 H16 N4 O3 Zn -","- C19 H16 N4 O3 Zn -","- C76 H64 N16 O12 Zn4 -","4","1","","Jun-Xia Li; Zhong-Xiang Du","Crystal structure of catena-[(5-sulfosalicylato-?2O,O')bis(?2-4-thiolatopyridinium-?2S:S)cadmium(II)] hydrate, Cd(C7H4O6S)(C5H5NS)2 · 2.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","331","","","","","0.71069","MoKα","","0.0687","0.0467","","","0.1171","0.1281","","","","","","1.068","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103072","6.78","0.002","11.397","0.003","13.849","0.004","90","","96.743","0.004","90","","1062.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Fa-Yan Meng; Bing-Li Jiang; Li Wang; Cui-Wu Lin","Crystal structure of(E)-3-(3,4-dihydroxyphenyl)-N-ethylacrylamide, C11H13NO3, a caffeic acid imide","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","83","","","","","0.71073","MoKα","","0.047","0.039","","","0.1126","0.1172","","","","","","1.035","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103073","33.741","0.007","9.3941","0.0019","23.32","0.005","90","","104.26","0.03","90","","7164","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 Hg3 N10 O38 -","- C62 H68 Hg3 N10 O38 -","- C248 H272 Hg12 N40 O152 -","4","0.5","","Hossein Aghabozorg; Sara Omidvar; Masoud Mirzaei; Behrouz Notash","Crystal structure of 4,4'-bipyridinium bis(pyridine-2,6-dicarboxylato)mercurate(II) — diaquabis- (6-carboxypyridine-2-carboxylato)mercury(II) — water (2:1:12), [C10H10N2]2[Hg(C7H3NO4)2]2 · Hg(H2O)2(C7H4NO4)2 · 12H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","123","","","","","0.71073","MoKα","","0.0479","0.0405","","","0.1071","0.1107","","","","","","1.151","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103074","10.174","0.002","19.018","0.004","12.037","0.002","90","","113.742","0.003","90","","2131.9","0.7","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H30 Dy F9 N2 O6 S3 -","- C41 H30 Dy F9 N2 O6 S3 -","- C82 H60 Dy2 F18 N4 O12 S6 -","2","1","","Xi-Li Li; Xiang-Li Feng","Crystal structure of [(R,R)-6,6-dimethyl-3-pyridin-2-yl-5,6,7,8-tetrahydro-5,7-methanoisoquinoline]-tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato]dysprosium(III), Dy(C17H18N2)(C8H4O2SF3)3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","40","","","","","0.71073","MoKα","","0.0677","0.0544","","","0.1184","0.1219","","","","","","1.091","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103075","9.841","0.005","10.638","0.005","11.772","0.005","72.971","0.005","70.632","0.005","86.262","0.005","1111","0.9","293","2","293","2","","","","","","","See text","5","P -1","-P 1","2","","bis[2'2-(1,2-ethanediyl)bis(1H-benzimidazole)]- dizinc(II) di(2-benzoate-acetate)","","- C50 H40 N8 O8 Zn2 -","- C50 H40 N8 O8 Zn2 -","- C50 H40 N8 O8 Zn2 -","1","0.5","","Yan Wang; Pu-Hong Wen; Wei-Xing Zhao; Guo-Dong Feng; Luan Jiang; Hong-Bo Jiang","Crystal structure of bis(homophthalato)-bis[2,2'-(1,2-ethanediyl)bis(1H-benzimidazole)]dizinc(II), Zn2(C9H6O4)2(C16H14N4)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","43","","","","","0.71069","MoKα","","0.0718","0.0446","","","0.0834","0.0896","","","","","","0.937","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103076","27.87","0.002","9.906","0.001","18.5951","0.0017","90","","115.719","0.002","90","","4625.2","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Cl2 Cu2 N2 P2 -","- C54 H44 Cl2 Cu2 N2 P2 -","- C216 H176 Cl8 Cu8 N8 P8 -","4","0.5","","Jian-Bao Li; Ye-Lan Xiao; Man-Hua Wu; Yu-Han Jiang; Qiong-Hua Jin; Cun-Lin Zhang","Crystal structure of bis(triphenylphospine-κP)bis(m-chloro-κCl) bis(isoquinoline-kN)copper(I), [CuCl(PC18H15)(i-C9H7N)]2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","97","","","","","0.71073","MoKα","","0.0567","0.0323","","","0.0663","0.078","","","","","","1.067","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103077","14.405","0.003","11.55","0.003","9.807","0.002","90","","90.34","0.002","90","","1631.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-chloro-<i>N'</i>-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide, C~14~H~9~ClI~2~N~2~O~2~","","- C14 H9 Cl I2 N2 O2 -","- C14 H9 Cl I2 N2 O2 -","- C56 H36 Cl4 I8 N8 O8 -","4","1","","Yu-Mei Hao","Crystal structure of 2-chloro-N'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide, C14H9ClI2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","85","","","","","0.71073","MoKα","","0.0741","0.0415","","","0.0715","0.0824","","","","","","1.02","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103078","9.4966","0.00017","9.79355","0.00018","12.8341","0.0009","90","","98.698","0.007","90","","1179.91","0.09","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-deoxy-1-(3-hydroxypropyl)-O-triphenylmethyl-β-D-lyxofuranose","","- C27 H30 O5 -","- C27 H30 O5 -","- C54 H60 O10 -","2","1","","Bogdan Doboszewski; Flávia de Toni Uchôa; Alexander Y. Nazarenko; Victor N. Nemykin","Crystal structure of 1-deoxy-1-(3-hydroxypropyl)-O-triphenylmethyl-β-D-lyxofuranose, C27H30O5","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","61","","","","","1.54178","CuKα","","0.0604","0.0409","","","0.0919","0.119","","","","","","1.152","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103079","5.574","0.004","19.77","0.015","8.866","0.007","90","","100.49","0.014","90","","960.7","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N2 O3 S -","- C9 H5 F N2 O3 S -","- C36 H20 F4 N8 O12 S4 -","4","1","","Yi-Feng Zhu; Mei-Rong Li; Xiao-Qing Cai; Mao-Lin Hu","Crystal structure of 5-fluoro-3-(thiophene-2-carbonyl)pyrimidine-2,4(1H,3H)-dione, C9H5FN2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","107","","","","","0.71073","MoKα","","0.0597","0.0519","","","0.1225","0.1275","","","","","","1.104","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103080","8.0607","0.0001","10.7551","0.0002","15.6323","0.0002","90","","90.894","0.001","90","","1355.06","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","","Jun Xu; You-Qin Shu; Ping Hu","Crystal structure of N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide, C13H9Cl2N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","63","","","","","0.71073","MoKα","","0.0432","0.034","","","0.0874","0.0941","","","","","","1.043","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103081","9.0513","0.001","9.5851","0.0012","9.153","0.0011","90","","114.466","0.001","90","","722.79","0.15","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-methyl-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzamide","","- C13 H15 N3 O2 S -","- C13 H15 N3 O2 S -","- C26 H30 N6 O4 S2 -","2","1","","Ling-Dong Wang; Cheng-Tao Feng; Jian Liu; Yu-Gang Yan; Shao-Hua Li","Crystal structure of N-(2-methyl-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzamide, C13H15N3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","45","","","","","0.71073","MoKα","","0.0661","0.0395","","","0.0465","0.0503","","","","","","1.017","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103082","9.1579","0.0004","10.8716","0.0005","12.4645","0.0006","74.678","0.004","83.415","0.004","67.395","0.004","1104.8","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","monoaqua-bis((2-((2-(4-(1H-imidazol-1-yl)benzylamino)cyclo- hexylamino)methyl)benzoyloxy)nickel(II))","","- C48 H58 N8 Ni O6 -","- C48 H58 N8 Ni O6 -","- C48 H58 N8 Ni O6 -","1","0.5","","Daocheng Xia; Jihuan Yao; Shuang Han; Shaofei Song; Fulin Zhou; Baohua Lv; Cuijin Pei; Weibin Wang","Crystal structure of bis[2-((2-(4-(1H-imidazol-1-yl)benzylamino)cyclohexylamino)methyl)benzoato]nickel(II) dihydrate, Ni(C24H27N4O2)2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","65","","","","","0.71073","MoKα","","0.0478","0.0354","","","0.0793","0.0813","","","","","","0.958","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103083","11.7852","0.0004","10.1276","0.0004","15.4341","0.0007","90","","92.278","0.004","90","","1840.69","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-(cyclohexane-1,2-diyl)diisoindolin-1-one","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Daocheng Xia; Jihuan Yao; Shuang Han; Shaofei Song; Fulin Zhou; Baohua Lv; Cuijin Pei; Weibin Wang","Crystal structure of 2,2'-(cyclohexane-1,2-diyl)diisoindolin-1-one, C22H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","119","","","","","0.71073","MoKα","","0.1115","0.0388","","","0.0752","0.0809","","","","","","0.879","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103084","11.172","0.003","9.713","0.003","15.671","0.004","90","","96.516","0.003","90","","1689.5","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-chloro-<i>N'</i>-(2-hydroxy-3,5-dichlorobenzylidene)benzohydrazide methanol solvate, C~14~H~9~Cl~3~N~2~O~2~.CH~3~OH","","- C15 H13 Cl3 N2 O3 -","- C15 H13 Cl3 N2 O3 -","- C60 H52 Cl12 N8 O12 -","4","1","","Yu-Mei Hao","Crystal structure of 2-chloro-N'-(2-hydroxy-3,5-dichlorobenzylidene)benzohydrazide — methanol (1:1), C14H9Cl3N2O2 · CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","47","","","","","0.71073","MoKα","","0.0605","0.0352","","","0.0824","0.1","","","","","","1.043","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103085","9.501","0.005","18.589","0.005","10.296","0.005","90","0.005","96.572","0.005","90","0.005","1806.5","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-(1,2-propanediyl)bis(1H-benzimidazole) (2,3-dihydroxybutanedioic acid)Zinc(II), C~19~H~15.47~N~4~O~3~Zn","","- C19 H16 N4 O3 Zn -","- C19 H16 N4 O3 Zn -","- C76 H64 N16 O12 Zn4 -","4","1","","Luan Jiang","Crystal structure of bis{2,2'-(1,3-propanediyl)bis(1H-benzimidazole)}-(2,3-dihydroxybutanedioato)dizinc(II), Zn2(C17H15N4)2(C4H2O6)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","363","","","","","0.71069","MoKα","","0.0687","0.0467","","","0.1171","0.1281","","","","","","1.068","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103086","21.7959","0.0015","13.4861","0.0009","11.9078","0.0006","90","","107.474","0.006","90","","3338.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis[2-((2-aminocyclohexylamino)methyl)benzoato]copper(II) trihydrate","","- C28 H44 Cu N4 O7 -","- C28 H38 Cu N4 O7 -","- C112 H152 Cu4 N16 O28 -","4","0.5","","Yunde Zhu","Crystal structure of bis[2-((2-aminocyclohexylamino)methyl)benzoato]copper(II) trihydrate, Cu(C14H19N2O2)2 · 3H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","141","","","","","0.71073","MoKα","","0.1301","0.063","","","0.1609","0.1669","","","","","","1.144","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103087","7.9494","0.001","8.0955","0.001","16.143","0.002","89.888","0.001","78.378","0.001","61.607","0.001","889.84","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 Ir2 N2 O12 -","- C30 H48 Ir2 N2 O12 -","- C30 H48 Ir2 N2 O12 -","1","0.5","","Qiao-Wen Chang; Chang-Yi Hu; Zai-Fu Pan; Jia-Lin Chen; Qing-Song Ye; Xi-Zhu Chen; Yao Yu; Wei-Ping Liu","Crystal structure of amminebis(acetylacetonato-κ2O,O')-(diacetylmethanido-κC)iridium(III), Ir(NH3)(C5H7O2)3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","87","","","","","0.71073","MoKα","","0.0554","0.0453","","","0.1616","0.1851","","","","","","1.297","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103088","11.557","0.0017","11.9129","0.0017","12.136","0.002","70.175","0.003","71.716","0.002","85.93","0.003","1491.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.19 H76.38 N4 Ni3 O21.06 -","- C53.192 H76.384 N4 Ni3 O21.064 -","- C53.192 H76.384 N4 Ni3 O21.064 -","1","0.5","","Xiong-Hou Gao; Xiu-Yan Dong; Li Li; Yin-Xia Sun; Wen-Kui Dong","Crystal structure of bis[(3,3'-dimethoxy-2,2'-1,3-propylene)dioxy-bis(nitrilomethylidyne)diphenolato]-bis(acetato-O1,O2)-bis(ethanol-O)trinickel(II) — ethanol — acetone (1:2:1.06), Ni3(C19H20N2O6)2(C2H5OH)2(C2H3O2)2 · 2C2H5OH · 1.06C3H6O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","138","","","","","0.71073","MoKα","","0.0586","0.0403","","","0.0948","0.1058","","","","","","1.043","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103089","4.9555","0.001","11.54","0.002","12.782","0.003","107.587","0.002","95.724","0.002","93.646","0.002","689.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-chloro-<i>N'</i>-(2-methoxybenzylidene)benzohydrazide, C~15~H~13~ClN~2~O~2~","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C30 H26 Cl2 N4 O4 -","2","1","","Yu-Mei Hao","Crystal structure of 2-chloro-N'-(2-methoxy- benzylidene)benzohydrazide, C15H13ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","11","","","","","0.71073","MoKα","","0.0683","0.0446","","","0.1036","0.1171","","","","","","1.019","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103090","9.0569","0.0015","9.4784","0.0016","11.3428","0.0019","95.6","0.002","109.723","0.002","98.84","0.002","893.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","3-chloro-<i>N'</i>-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide methanol solvate, C~14~H~9~ClI~2~N~2~O~2~.CH~3~OH","","- C15 H13 Cl I2 N2 O3 -","- C15 H13 Cl I2 N2 O3 -","- C30 H26 Cl2 I4 N4 O6 -","2","1","","Yu-Mei Hao","Crystal structure of 3-chloro-N'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide methanol solvate, C14H9ClI2N2O2 · CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","13","","","","","0.71073","MoKα","","0.0671","0.0402","","","0.0712","0.0797","","","","","","1.042","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103091","8.1529","0.0004","9.6506","0.0004","25.7059","0.001","90","","97.864","0.004","90","","2003.53","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,4-bis((1H-imidazol-1-yl)methyl)benzene)-(5-hydroxyisophthalato) zinc(II)","","- C22 H18 N4 O5 Zn -","- C22 H18 N4 O5 Zn -","- C88 H72 N16 O20 Zn4 -","4","1","","Dao-Cheng Xia; Qiu-Ping Han; Shuang Han; Xin-Lu Cao; Yun-De Zhu","Crystal structure of (1,4-bis((1H-imidazol-1-yl)methyl)benzene)-(5-hydroxyisophthalato)zinc(II), Zn(C14H14N4)(C8H4O5)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","49","","","","","0.71073","MoKα","","0.0679","0.0307","","","0.0602","0.0638","","","","","","0.783","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103092","17.7554","0.0008","7.5999","0.0004","22.1542","0.0008","90","","124.248","0.003","90","","2471.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cr N3 O17 -","- C17 H24 Cr N3 O17 -","- C68 H96 Cr4 N12 O68 -","4","1","","Qiu-Ju Xing; Shun-Chen Dai; Mei-Hong Chen; Jun Ma; Lu-Ping Zhang; Jian-Ping Zou","Crystal structure of hexaaquachromium(III) dimethylformamidium bis(4-hydroxypyridine-2,6-dicarboxylate), [Cr(H2O)6][C3H8NO][C7H3NO5]2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","67","","","","","0.71073","MoKα","","0.052","0.0406","","","0.1402","0.1522","","","","","","1.076","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103093","8.689","0.002","7.524","0.003","11.359","0.003","90","","109.856","0.011","90","","698.5","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","3a","Bis (N1-4-Amino-1,2,4-triazole) dimethyltin (IV) dichloride)tin(IV)","","- C6 H14 Cl2 N8 Sn -","- C6 H14 Cl2 N8 Sn -","- C12 H28 Cl4 N16 Sn2 -","2","0.5","","Mehrdad Pourayoubi; Mahnaz Rostami Chaijan; Teresa Mancilla Percino; Marco A. Leyva Ramírez","Crystal structure of dichlorobis(4-amino-1,2,4-triazole)dimethyltin(IV), SnCl2(CH3)2(C2H4N4)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","115","","","","x-ray","0.71073","MoKα","","0.0302","0.0228","","","0.0529","0.0565","","","","","","1.104","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103094","11.882","0.004","11.182","0.003","20.282","0.007","90","","103.871","0.002","90","","2616.2","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aqua[ o-acetamidobenzoic acid-k2:O:O2] Bis [1,10-phenanthroline -k2:N1:N2]Copper(II) Complex, [Cu(1,10-phen) (C9H8O3N)2]","","- C30 H24 Cu N4 O6 -","- C30 H24 Cu N4 O6 -","- C120 H96 Cu4 N16 O24 -","4","0.5","","Xiong-Wen Tan; Changhong Li; Xue Nie; Wei Li","Crystal structure of bis(o-acetamidobenzoato-κ2:O:O2)-(1,10-phenanthroline-κ2:N1:N2)copper(II), Cu(C12H8N2)(C9H8NO3)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","69","","","","","0.71073","MoKα","","0.0446","0.0385","","","0.1089","0.1147","","","","","","1.088","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103095","10.276","0.002","10.403","0.002","11.951","0.002","92.358","0.002","91.168","0.002","117.31","0.002","1133.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N3 O15 Sm -","- C16 H24 N3 O15 Sm -","- C32 H48 N6 O30 Sm2 -","2","1","","Xun Feng; Jing Liu; Tie-Fu Li; Peng-Peng Lei","Crystal structure of dimethylammonium triaquabis(4-hydroxypyridine-2,6-dicarboxylato)samarium(III) dihydrate, [C2H8N][Sm(H2O)3(C7H3NO5)2] · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","80","","","","","0.71073","MoKα","","0.0553","0.0468","","","0.1166","0.1232","","","","","","1.014","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103096","7.402","0.0008","16.6206","0.0018","17.3609","0.0018","90","","90","","90","","2135.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-6,6'-Dibromo-2,2'-diethoxy-1,1'-binaphthyl","","- C24 H20 Br2 O2 -","- C24 H20 Br2 O2 -","- C96 H80 Br8 O8 -","4","1","","Lin-Lin Jing; Hai-Bo Wang; Xiao-Li Sun; Hui-Ping Ma; Zheng-Ping Jia","Crystal structure of (S)-6,6'-dibromo-2,2'-diethoxy-1,1'-binaphthyl, C24H20Br2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","117","","","","","0.71073","MoKα","","0.0678","0.0458","","","0.1268","0.1391","","","","","","0.997","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103097","8.6824","0.0014","17.542","0.003","7.571","0.0012","90","","90.649","0.002","90","","1153","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N4 -","- C13 H12 N4 -","- C52 H48 N16 -","4","1","","Hong-Mei Li; Chen Xu; Hu Liu; Zhi-Qiang Zhang; Jing-Cai Yao; Yu-Qing Zhang","Crystal structure of 1-(4,6-dimethylpyrimidin-2-yl)benzimidazole, C13H12N4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","89","","","","","0.71073","MoKα","","0.0784","0.0429","","","0.0949","0.1107","","","","","","1.023","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103098","8.7713","0.0004","11.9086","0.0005","20.0404","0.0009","90","","97.333","0.001","90","","2076.18","0.16","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquadibromo(2,4,6-tri-2-pyridyl-1,3,5-triazine)manganese(II) monohydrate","","- C18 H16 Br2 Mn N6 O2 -","- C18 H16 Br2 Mn N6 O2 -","- C72 H64 Br8 Mn4 N24 O8 -","4","1","","Kwang Ha","Crystal structure of aquadibromo(2,4,6-tri-2-pyridyl-1,3,5-triazine)manganese(II) monohydrate, Mn(H2O)Br2(C18H12N6) · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","57","","","","","0.71073","MoKα","","0.0751","0.0398","","","0.0754","0.1029","","","","","","1.071","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103099","8.42","0.005","9.005","0.005","10.608","0.005","69.768","0.005","75.004","0.005","88.638","0.005","727.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,1'-(1,4-butanediyl)bis(imidazole) 1,4-Butylenediphosphonate","","- C18 H42 N4 O14 P4 -","- C18 H42 N4 O14 P4 -","- C18 H42 N4 O14 P4 -","1","0.5","","Wei-Qiu Kan; Jian-Fang Ma","Crystal structure of 1,1'-(1,4-butanediyl)bis(imidazolium) 1,4-butylene- diphosphonate — 1,4-butylenediphosphonic acid — water (1:1:2), [C10H16N4][C4H10O6P2] · C4H12O6P2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","73","","","","","0.71069","MoKα","","0.0504","0.041","","","0.11","0.1136","","","","","","1.032","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103100","14.919","0.004","9.333","0.002","15.508","0.004","90","","113.129","0.013","90","","1985.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-acetamido-5-bromo benzoic acid","","- C9 H8 Br N O3 -","- C9 H8 Br N O3 -","- C72 H64 Br8 N8 O24 -","8","1","","Wenxiu Sun; Qilong Hu; Chunming Ding; Yan Duan; Jingwen Jia","Crystal structure of 2-acetamido-5-bromobenzoic acid, C9H8BrNO3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","75","","","","","0.71073","MoKα","","0.0487","0.0382","","","0.0951","0.1005","","","","","","1.085","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103101","27.347","0.005","13.317","0.003","13.523","0.003","90","0.001","110.869","0.002","90","0.001","4601.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cu N4 O6 -","- C26 H18 Cu N4 O6 -","- C208 H144 Cu8 N32 O48 -","8","1","","Yi-Fang Deng; Man-Sheng Chen; Dai-Zhi Kuang; Zhi-Min Chen","Crystal structure of (1,10-phenanthroline-?2N:N')-(?2-5-isonicotin- amidoisophthalato-?2O1,O3)copper(II) monohydrate, Cu(C12H8N2)(C14H8N2O5) · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","341","","","","","0.71073","MoKα","","0.0821","0.0649","","","0.1528","0.1591","","","","","","1.336","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103102","9.2657","0.0018","10.675","0.002","12.214","0.002","101.691","0.004","107.474","0.004","101.157","0.004","1085.8","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","bis[(μ~2~-chloro)(2,3,5,6-tetra-2-pyridylpyrazine)]dichlorodimanganese(II), Mn~2~Cl~4~(C~24~H~16~N~6~)~2~","","- C48 H32 Cl4 Mn2 N12 -","- C48 H32 Cl4 Mn2 N12 -","- C48 H32 Cl4 Mn2 N12 -","1","0.5","","Kwang Ha","Crystal structure of di(μ2-chloro)-dichlorobis(2,3,5,6-tetra-2-pyridylpyrazine)dimanganese(II), Mn2Cl4(C24H16N6)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","59","","","","","0.71073","MoKα","","0.0947","0.0545","","","0.1016","0.1411","","","","","","1.079","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103103","9.6645","0.0008","10.6237","0.0008","15.8602","0.0012","81.453","0.001","78.763","0.002","64.177","0.001","1433.95","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","diaqua(hydrogen 5-isonicotinamidoisophthalato) (μ~2~-5-isonicotinamidoisophthalato-κ^2^O^1^,O^3^) Praseodymium(III)]monohydrate], [Pr(C~14~H~9~O~5~N~2~)(C~14~H~8~O~5~N~2~)(H~2~O)~2~].H~2~O","","- C28 H23 N4 O13 Pr -","- C28 H23 N4 O13 Pr -","- C56 H46 N8 O26 Pr2 -","2","1","","Dai-Zhi Kuang; Yong-Lan Feng; Jin-Sheng Xu; Zhi-Jian Zhang","Crystal structure of diaqua(hydrogen 5-isonicotinamidoisophthalato)-(μ2-5-isonicotinamidoisophthalato-k2O1,O3)- praseodymium(III) monohydrate, Pr(H2O)2(C14H9N2O5)(C14H8O5N2) · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","77","","","","","0.71073","MoKα","","0.0352","0.0336","","","0.0871","0.0884","","","","","","1.02","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103104","8.957","0.0014","13.055","0.002","23.67","0.003","90","","110.267","0.005","90","","2596.5","0.7","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","N6O18Sr.2(C10H10N2).2(C3H5N2).2(C3H4N2).2(C3H3N2).(H2O)","","- C38 H46 N22 O19 Sr -","- C38 H46 N22 O19 Sr -","- C76 H92 N44 O38 Sr2 -","2","0.5","","Wenyan Bi; Li Guanghua; Qing Xue; Yu Huo; Gaopeng Wang","Crystal structure of bis(4,4'-bipyridinium) bis(imidazolium) hexanitratostrontium(II) bis(imidazolate) — imidazole — water (1:2:1), [C10H10N2]2[C3H5N2]2[Sr(NO3)6][C3H3N2]2 · 2C3H4N2 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","121","","","","","0.71073","MoKα","","0.0705","0.0437","","","0.1013","0.1133","","","","","","1.005","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103105","16.939","0.004","22.884","0.005","3.8661","0.0009","90","","90","","90","","1498.6","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H13 Cl N2 O3 -","- C17 H13 Cl N2 O3 -","- C68 H52 Cl4 N8 O12 -","4","1","","Xiaolei Zhao; Lei Yang; Guanghua Li","Crystal structure of 4,4'-bipyridinium 5-chlorosalicylate, [C10H9N2][C7H4ClO3]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","105","","","","","0.71073","MoKα","","0.0604","0.0399","","","0.0862","0.0937","","","","","","1.014","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103106","9.481","0.007","9.598","0.007","9.821","0.007","101.491","0.009","90.799","0.01","93.881","0.011","873.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C36 H38 N2 O10 S2 -","2","1","","Xue-Ping Zhong; Cui-Wu Lin; Wan-Xing Wei; Hong Zhou","Crystal structure of diethyl (E)-5-(2-hydroxybenzylideneamino)-3-methylthiophene-2,4-dicarboxylate, C18H19NO5S","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","143","","","","","0.71073","MoKα","","0.0953","0.0613","","","0.1749","0.1973","","","","","","0.991","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103107","11.68","0.007","12.749","0.008","13.991","0.009","100.443","0.01","105.201","0.01","98.874","0.01","1932","2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ~3~-Oxo)-Bis[μ~2~-2-(2-Formylphenoxy)acetato-O,O'] -Bis[μ~2~-2-(2-Formylphenoxy)acetato-O,O']-Octakis(n-Butyl)-tetra-Tin(IV)","","- C34 H50 O9 Sn2 -","- C34 H50 O9 Sn2 -","- C68 H100 O18 Sn4 -","2","1","","Rui-Fang Ding; Qi-Bao Wang; Xin-Min Wen","Crystal structure of bis(m3-oxo)-bis[μ2-2-(2-formylphenoxy)acetato-O,O']-bis[m2-2-(2-formylphenoxy)- acetato-O,O']-octakis(n-butyl)tetratin(IV), Sn4O2(C9H7O4)4(C4H9)8","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","31","","","","","0.71073","MoKα","","0.0904","0.0656","","","0.1814","0.2001","","","","","","1.16","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103108","11.5679","0.0005","8.425","0.0003","11.6371","0.0004","90","","113.39","0.005","90","","1040.95","0.08","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(1,4-bis((1H-imidazol-1-yl)methyl)benzene(5-hydroxyisophthalato) cadmium (II)","","- C22 H20 Cd N4 O6 -","- C22 H20 Cd N4 O6 -","- C44 H40 Cd2 N8 O12 -","2","1","","Dao-Cheng Xia; Ji-Huan Yao; Wen-Chan Zhang; Ren-Qiang Huang; Xu-Qing Yang; Jing-Jing Jing","Crystal structure of aqua[1,4-bis((1H-imidazol-1-yl)methyl)benzene]-(5-hydroxyisophthalato)cadmium(II), Cd(H2O)(C14H14N4)(C8H4O5)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","17","","","","","0.71073","MoKα","","0.0263","0.0221","","","0.0447","0.0451","","","","","","0.938","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103109","14.829","","18.184","","9.493","","90","","90","","90","","2559.79","","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(4,4'-bis(imidazol-1-ylmethyl)bibenzene) -(5-hydroxyisophthalato) zinc (II)","","- C28 H22 N4 O5 Zn -","- C28 H22 N4 O5 Zn -","- C112 H88 N16 O20 Zn4 -","4","0.5","","Dao-Cheng Xia; Shuai Shi; Ji-Huan Yao; Hui-Xuan Ma; Chang-Qing Han; Li-Ping Wang; Qing-Yang Liu","Crystal structure of (4,4'-bis(imidazol-1-ylmethyl)biphenyl)-(5-hydroxyisophthalato)zinc(II), Zn(C20H18N4)(C8H4O5)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","29","","","","","0.71073","MoKα","","0.0668","0.0353","","","0.0893","0.094","","","","","","0.898","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103110","9.3104","0.0015","5.7038","0.0009","8.2585","0.0014","90","","90","","90","","438.56","0.12","294","2","294","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","poly[(μ~3~-ethylene-dithiodiacetato- κ^6^-S, S^'^,O, O^'^: O^''^: O^'''^)manganese(II)]","","- C6 H8 Mn O4 S2 -","- C6 H8 Mn O4 S2 -","- C12 H16 Mn2 O8 S4 -","2","0.5","","Zhong-Xiang Du; Gui-Ying Zhang","Crystal structure of (μ3-ethylenedithiodiacetato-κ6-S,S',O,O':O'':O''')manganese(II), Mn(C6H8O4S2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","33","","","","","0.71073","MoKα","","0.0165","0.0157","","","0.0423","0.0428","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103111","14.603","0.003","4.323","0.002","20.445","0.003","90","","102.234","0.002","90","","1261.4","0.7","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2,4-dichloro-6-[(6-methylpyridin-2-ylimino)methyl]phenol, C~13~H~10~Cl~2~N~2~O","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Ping Wang; Qi-Lin Li; Qiong Ruan; Yong-Qing Su","Crystal structure of 2,4-dichloro-6-[(6-methylpyridin-2-ylimino)methyl]phenol, C13H10Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","35","","","","","0.71073","MoKα","","0.0765","0.0415","","","0.0886","0.1013","","","","","","1.026","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103112","7.9875","0.0016","10.218","0.002","12.873","0.003","100.85","0.03","92.14","0.03","93.57","0.03","1028.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis[tris(ethylenediamine)cobalt(II)]pentaoxalatocobaltate(III) tetrahydrate","","- C22 H56 Co4 N12 O24 -","- C22 Co4 N12 O24 -","- C22 Co4 N12 O24 -","1","0.5","","Jaeun Kang; Seungmoon Pyo; Hoseop Yun; Junghwan Do","Crystal structure of bis[tris(ethylenediamine)cobalt(III)] pentaoxalatocobaltate(II) tetrahydrate, [Co(C2H8N2)3]2[Co2(C2O4)5] · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","353","","","","","0.71073","MoKα","","0.0423","0.0366","","","0.1131","0.1192","","","","","","1.095","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103113","6.534","0.0007","7.549","0.0007","9.724","0.0009","92.889","0.002","96.163","0.002","102.709","0.002","463.83","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-(2-methyl-5-nitroimidazol-1-yl)propane-2-thiol, C~17~H~11~N~3~O~2~S","","- C7 H11 N3 O2 S -","- C7 H11 N3 O2 S -","- C14 H22 N6 O4 S2 -","2","1","","Ya-Jun Cai; Lei Sun; Hai-Liang Zhu","Crystal structure of 1-(2-methyl-5-nitroimidazol-1-yl)propane-2-thiol, C7H11N3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","133","","","","","0.71073","MoKα","","0.0554","0.0502","","","0.13","0.1329","","","","","","1.09","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103114","24.2039","0.0014","4.7284","0.0003","21.3837","0.0012","90","","114.845","0.003","90","","2220.8","0.2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(3,5-dicloro-N-n-propylsalicylaldiminato-N,O) zinc(II) ,Zn(C~10~H~10~Cl~2~NO)~2~","","- C20 H20 Cl4 N2 O2 Zn -","- C20 H20 Cl4 N2 O2 Zn -","- C80 H80 Cl16 N8 O8 Zn4 -","4","0.5","","Ping Zhang; Xiongwei Dong; Huoqing Wang; Yuguang Li","Crystal structure of bis(3,5-dichloro-N-n-propylsalicylaldiminato-N,O)zinc(II), Zn(C10H10Cl2NO)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","19","","","","","0.71073","MoKα","","0.0408","0.0311","","","0.0807","0.0845","","","","","","1.021","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103115","16.538","0.005","14.588","0.004","14.76","0.004","90","","118.765","0.004","90","","3121.5","1.5","143","2","143","2","","","","","","","See text","4","C 1 2/c 1","-C 2yc","15","","bis[2'2-(1,4-butanediyl)bis(3H-benzimidazolium)] bis[di(2-carboxy-benzoate)] dihydrate","","- C34 H34 N4 O10 -","- C34 H34 N4 O10 -","- C136 H136 N16 O40 -","4","0.5","","Pu-Hong Wen","Crystal structure of 2,2'-(1,4-butanediyl)bis(3H-benzimidazolium) bis(2-carboxybenzoate) dihydrate, [C18H20N4][C8H5O4]2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","103","","","","","0.71073","MoKα","","0.0596","0.0413","","","0.1003","0.1112","","","","","","0.999","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103116","8.6675","0.0004","11.1241","0.0004","11.3889","0.0005","90","","108.093","0.004","90","","1043.8","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Mn N4 O12 -","- C14 H22 Mn N4 O12 -","- C28 H44 Mn2 N8 O24 -","2","0.5","","Bo Xiao; Qian-Qian Li","Crystal structure of di(methanol)-bis(2,4-dihydroxypyrimidine-5-carboxylato) manganese(II) — methanol (1:2), Mn(CH3OH)2(C5H3N2O4)2 · 2CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","21","","","","","0.71073","MoKα","","0.0508","0.029","","","0.0489","0.0503","","","","","","1.01","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103117","9.504","0.002","20.748","0.005","12.704","0.003","90","","92.432","0.004","90","","2502.8","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(dibenzoylmethanato) -[(R,R)-6,6-dimethyl-3-pyridin-2-yl-5,6,7,8- tetrahydro-5,7-methanoisoquinoline)]gadolinium(III)","","- C62 H51 Gd N2 O6 -","- C62 H51 Gd N2 O6 -","- C124 H102 Gd2 N4 O12 -","2","1","","Xi-Li Li; Xiaoxia Niu","Crystal structure of tris(dibenzoylmethanato)-[(R,R)-6,6-dimethyl-3-pyridin-2-yl-5,6,7,8-tetrahydro-5,7-methanoisoquinoline)]gadolinium(III), Gd(C15H11O2)3(C17H18N2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","347","","","","","0.71073","MoKα","","0.0603","0.0517","","","0.1158","0.1179","","","","","","1.002","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103118","5.0624","0.0007","8.6997","0.0008","13.5339","0.0013","77.524","0.001","87.022","0.002","84.251","0.002","578.77","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-5-fluoro-N-(4-fluorophenyl)benzamide, C~13~H~8~ClF~2~NO","","- C13 H8 Cl F2 N O -","- C13 H8 Cl F2 N O -","- C26 H16 Cl2 F4 N2 O2 -","2","1","","Qin Huang; Chuang Zhang; Xiaoping Rao; Li-Hong Diao","Crystal structure of 2-chloro-5-fluoro-N-(4-fluorophenyl)benzamide, C13H8ClF2NO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","145","","","","","0.71073","MoKα","","0.0656","0.0509","","","0.1514","0.1623","","","","","","1.113","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103119","7.696","0.005","17.961","0.012","12.778","0.009","90","","102.001","0.002","90","","1728","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[[Aqua(1H-imidazol) (μ~3~-5-isonicotinamidoisophthalato-κ^2^O^1^,O^3^-κ^1^N^1^) iron(II)]monohydrate]","","- C17 H16 Fe N4 O7 -","- C17 H16 Fe N4 O7 -","- C68 H64 Fe4 N16 O28 -","4","1","","Man-Sheng Chen; Yi-Fang Deng; Dai-Zhi Kuang; Chun-Hua Zhang","Crystal structure of aqua(1H-imidazol)-(μ3-5-isonicotinamidoisophthalato-κ2O1,O3-κ1N1)iron(II) monohydrate, Fe(H2O)(C3H4N2)(C14H8N2O5) · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","25","","","","","0.71073","MoKα","","0.0526","0.045","","","0.1144","0.1183","","","","","","1.086","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103120","29.303","0.013","11.041","0.005","20.924","0.008","90","","120.94","0.04","90","","5806","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","pentakis(4,4'-dipyridine)bis(N-Dimethylform amide)copper(II) bis(perchlorate), C~56~H~54~Cl~2~CuN~12~O~10~","","- C56 H54 Cl2 Cu N12 O10 -","- C56 H54 Cl2 Cu N12 O10 -","- C224 H216 Cl8 Cu4 N48 O40 -","4","0.5","","Qin Huang; Zhanqian Song; Xiaoping Rao; Shibin Shang","Crystal structure of trikis(4,4'-bipyridine)-bis(N-dimethylformamide)copper(II) bis(perchlorate) — pyridine (1:2), [Cu(C10H8N2)3(C3H7O)2][ClO4]2 · 2C10H8N2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","153","","","","","0.71073","MoKα","","0.0772","0.0638","","","0.18","0.1947","","","","","","1.066","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103121","25.8838","0.0013","6.3836","0.0003","9.9193","0.0005","90","","90","","90","","1638.98","0.14","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","nickel N,N'-bis(2-hydroxy-4-methoxysalicylidene)ethylenediaminato","","- C18 H18 N2 Ni O4 -","- C18 H18 N2 Ni O4 -","- C72 H72 N8 Ni4 O16 -","4","1","","Saman Hajmohammadi; Masoumeh Tabatabaee; Sohrab Hajmohammadi; Nasim Basir Ghafoori; Masood Parvez","Crystal structure of N,N'-bis(2-hydroxy-4-methoxysalicylidene)ethylenediaminatonickel(II), Ni(C18H18N2O4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","131","","","","","0.71073","MoKα","","0.0462","0.0407","","","0.0825","0.0877","","","","","","1.079","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103122","7.472","0.005","9.992","0.008","15.012","0.015","73.974","0.013","88.431","0.014","90.023","0.009","1076.8","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-bipyridine-N,N')-(nitrato-O)-zinc(ii) nitrate monohydrate","","- C20 H18 N6 O7 Zn -","- C20 H18 N6 O7 Zn -","- C40 H36 N12 O14 Zn2 -","2","1","","Lianwen Zhou","Crystal structure of bis(2,2'-bipyridine-N,N')-(nitrato-O)zinc(II) nitrate monohydrate, [Zn(C10H8N2)(NO3)][NO3] · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","27","","","","","0.71073","MoKα","","0.0651","0.0522","","","0.1456","0.1561","","","","","","1.049","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103123","9.4863","0.0019","11.709","0.002","17.242","0.003","90","","100.37","0.03","90","","1883.9","0.6","566","2","566","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(piperazinium) hexatungstotellurate(VI) hexahydrate","","- C12 H48 N6 O30 Te W6 -","- C12 H36 N6 O30 Te W6 -","- C24 H72 N12 O60 Te2 W12 -","2","0.5","","Jaeun Kang; Jeesun Ahn; Haejin Shin; Seungmoon Pyo; Hoseop Yun; Junghwan Do","Crystal structure of tris(piperazinium) hexakis[(μ3-oxo)(μ2-oxo)-dioxotungsten]tellurate(VI) hexahydrate, [C4H12N2]3[TeW6O24] · 6H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","129","","","","","0.71073","MoKα","","0.0287","0.0245","","","0.0455","0.0464","","","","","","1.161","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103124","10.0193","0.0014","36.487","0.003","11.2935","0.0018","90","","114.653","0.001","90","","3752.3","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(triphenylphospine-κP)(bromo-κBr)(isoquinoline-κN)copper(I), [CuBr(PC18H15))~2~(i-C~9~H~7~N)]","","- C45 H37 Br Cu N P2 -","- C45 H37 Br Cu N P2 -","- C180 H148 Br4 Cu4 N4 P8 -","4","1","","Jian-Bao Li; Man-Hua Wu; Jin Wen; Yu-Han Jiang; Qiong-Hua Jin; Hui-Li Gong","Crystal structure of bis(triphenylphospine-kP)-(bromo-kBr)-(isoquinoline-kN)copper(I), CuBr(PC18H15)2(i-C9H7N)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","109","","","","","0.71073","MoKα","","0.0959","0.0581","","","0.1135","0.1251","","","","","","1.045","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103125","9.3959","0.0002","5.7085","0.0001","24.8921","0.0007","90","","96.885","0.001","90","","1325.5","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 O3 -","- C16 H11 N3 O3 -","- C64 H44 N12 O12 -","4","1","","Yvon Bibila Mayaya Bisseyou; Benoît Guillot; Drissa Sissouma; Claude Lecomte; Jules Tenon Abodou","Crystal structure of 1-(1H-benzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one, C16H11N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","126","","","","","0.71073","MoKα","","0.0447","0.0413","","0.1633","0.1568","0.152","","","","","","1.4341","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103126","6.2893","0.0008","8.3099","0.0012","8.4622","0.0012","61.47","0.015","81.414","0.011","80.9","0.012","382.28","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","diaqua-bis(6-hydroxy-3-pyridazinecarboxylic)nickel(II)dihydrate, [Ni(C~5~H~3~N~2~O~3~)~2~(H~2~O)~2~]^.^2H~2~O","","- C10 H14 N4 Ni O10 -","- C10 H14 N4 Ni O10 -","- C10 H14 N4 Ni O10 -","1","0.5","","Bo Xiao; Xia Zhang; Li-Jun Yang; Yu-Ting Wang","Crystal structure of diaquabis(6-hydroxy-3-pyridazinecarboxylato)nickel(II) dihydrate, Ni(H2O)2(C5H3N2O3)2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","23","","","","","0.71073","MoKα","","0.0681","0.0592","","","0.1588","0.1622","","","","","","1.08","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103127","8.196","0.002","9.078","0.002","12.235","0.003","90","","109.57","0.01","90","","857.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","0.5","","De-Qiang Qi; Piao-Piao Lin; Fen-Fen Ni; Tian-Hao Kong","Crystal structure of bis(acetylacetone)-p-naphthalenediimine, C20H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","99","","","","","0.71073","MoKα","","0.0623","0.0531","","","0.1382","0.1457","","","","","","1.032","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103128","16.9384","0.0018","8.0768","0.0008","16.2652","0.0017","90","","95.124","0.001","90","","2216.3","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","bis(acetylacetonato-κ^2^O,O')(diacetylmethanido-κC) (3-pyridinemethanol)iridium(III), Ir(C~5~H~7~0~2~)~3~(C~6~H~7~NO)","","- C21 H28 Ir N O7 -","- C21 H28 Ir N O7 -","- C84 H112 Ir4 N4 O28 -","4","1","","Qiao-Wen Chang; Chang-Yi Hu; Jia-Lin Chen; Qing-Song Ye; Xi-Zhu Chen; Li-Qiao Chen; Yao Yu; Wei-Ping Liu","Crystal structure of bis(acetylacetonato-?2O,O')-(diacetylmethanido-?C)(3-pyridylmethanol)iridium(III), Ir(C5H7O2)3(C6H7NO)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","355","","","","","0.71073","MoKα","","0.0355","0.0281","","","0.0498","0.0527","","","","","","0.939","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103129","11.168","0.004","13.022","0.004","17.743","0.006","90","","100.899","0.004","90","","2533.8","1.5","143","2","143","2","","","","","","","See text","5","C 1 2/c 1","-C 2yc","15","","2'2-(1,4-butanediyl)bis(3H-benzimidazolium) sulfate heptahydrate","","- C18 H34 N4 O11 S -","- C18 H34 N4 O11 S -","- C72 H136 N16 O44 S4 -","4","0.5","","Wei-Xing Zhao; Hong-Bo Jiang","Crystal structure of 2,2'-(1,4-butanediyl)bis(3H-benzimidazolium) sulfate heptahydrate, [C18H20N4][SO4] · 7H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","335","","","","","0.71073","MoKα","","0.0914","0.0678","","","0.1468","0.1595","","","","","","1","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"8103130","7.462","0.002","16.556","0.006","9.607","0.003","90","","104.205","0.004","90","","1150.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(1-benzoylacetone)-<i>p</i>-naphthalenedi-imine, C~30~H~26~N~2~O~2~","","- C30 H26 N2 O2 -","- C30 H26 N2 O2 -","- C60 H52 N4 O4 -","2","0.5","","De-Qiang Qi; Yi-Ping Zhang; Xue-Jie Wang; Piao-Piao Lin; Fen-Fen Ni; Tian-Hao Kong","Crystal structure of bis(1-benzoylacetone)-p-naphthalenediimine, C30H26N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","101","","","","","0.71073","MoKα","","0.0641","0.0434","","","0.0949","0.1034","","","","","","0.974","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103131","13.385","0.003","14.13","0.003","17.139","0.003","90","","90.66","0.03","90","","3241.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-benzoylbenzoato - k2O,O')- (2,2'-bipyridine-k2N,N')cadmium(II), Cd(C10H8N2)(C14H9O3)2","","- C38 H26 Cd N2 O6 -","- C38 H26 Cd N2 O6 -","- C152 H104 Cd4 N8 O24 -","4","1","","Ying-Qun Yang; Zhi-Min Chen; Wei Li; Yun-Fei Kuang","Crystal structure of bis(2-benzoylbenzoato-k2O,O')-(2,2'-bipyridine-k2N,N')cadmium(II), Cd(C10H8N2)(C14H9O3)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","112","","","","","0.71073","MoKα","","0.0366","0.0301","","","0.0704","0.0762","","","","","","0.769","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103132","10.3802","0.0015","10.58","0.003","13.059","0.002","84.682","0.002","76.965","0.003","72.834","0.002","1334.5","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","bis(1,10-phenanthroline-κ^2^N,N') (malonato-κ^2^O^1^,O^3^)zinc(II) pentahydrate","","- C27 H28 N4 O9 Zn -","- C27 H28 N4 O9 Zn -","- C54 H56 N8 O18 Zn2 -","2","1","","Xue Nie; Jing-Nian Qu","Crystal structure of bis(1,10-phenanthroline-?2N,N')-(malonato-?2O1,O3)zinc(II) pentahydrate, Zn(C12H8N2)2(C3H2O4) · 5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","343","","","","","0.71073","MoKα","","0.0439","0.0404","","","0.0953","0.0973","","","","","","1.015","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103133","24.962","0.0019","15.0444","0.0012","17.3417","0.0013","90","","117.1","0.001","90","","5797.5","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H42.67 N5.33 O17.33 S1.33 Zn2 -","- C32 H42.6667 N5.33333 O17.3333 S1.33333 Zn2 -","- C192 H256 N32 O104 S8 Zn12 -","6","0.75","","Yong-Wei Wang","Crystal structure of hexaaquatris(4,4'-bipyridine)bis{N-[(4-carboxyphenyl)sulfonyl]glycine}trizinc(II) octahydrate, Zn3(H2O)6(C10H8N2)3(C9H6SNO6)2 · 8H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","368","","","","","0.71073","MoKα","","0.0416","0.032","","","0.0843","0.0909","","","","","","1.027","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103134","10.5743","0.0011","18.662","0.0019","11.888","0.0012","90","","94.178","0.001","90","","2339.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(acetylacetonato-κ^2^O,O')(diacetylmethanido-κC) (3-hydroxypyridine)iridium(III), Ir(C~5~H~7~0~2~)~3~(C~5~H~6~NO)","","- C20 H30 Ir N O9 -","- C20 H30 Ir N O9 -","- C80 H120 Ir4 N4 O36 -","4","1","","Qiao-Wen Chang; Chang-Yi Hu; Jia-Lin Chen; Qing-Song Ye; Xi-Zhu Chen; Yao Yu; Li-Qiao Chen; Wei-Ping Liu","Crystal structure of bis(acetylacetonato-?2O,O')-(diacetylmethanido-?C)(3-hydroxypyridine)iridium(III) dihydrate, Ir(C5H7O2)3(C5H5NO) · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","359","","","","","0.71073","MoKα","","0.0681","0.0379","","","0.0787","0.0909","","","","","","1.016","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103135","8.3871","0.0014","17.453","0.003","8.6943","0.0014","90","","93.092","0.002","90","","1270.8","0.4","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Li-Ming Qiang; Jun-Ling Si; Xin-Ming Dong; Xin-Qi Hao; Kui Lu; Yu-Fen Zhao","Crystal structure of 2-(2-naphthyl)-4,6-dimethylpyrimidine, C16H14N2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","333","","","","","0.71073","MoKα","","0.0796","0.0457","","","0.1085","0.1289","","","","","","1.03","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103136","6.7733","0.0005","14.662","0.0012","11.4365","0.0009","90","","95.77","0.003","90","","1130.01","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O7 -","- C24 H30 O7 -","- C48 H60 O14 -","2","1","","Jing-Jie Zhang; Qi-Ji Li; Qi-Long Zhang; Lu-Tai Pan","Refinement of the crystal structure of 3,20-epoxy-6b,15b-diacetoxy-ent-kaurene-1,7-dione, C24H30O7","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","305","","","","","0.71073","MoKα","","0.0554","0.0397","","","0.0935","0.1017","","","","","","1.036","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103137","7.2752","0.0012","8.2373","0.0013","10.7568","0.0017","91.873","0.002","98.024","0.002","115.057","0.002","575.21","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(acetato)bis(4-pyridinemethanol)dirhodium, Rh~2~(O~2~CCH~3~)~4~(C~6~H~7~NO)~2~","","- C20 H26 N2 O10 Rh2 -","- C20 H26 N2 O10 Rh2 -","- C20 H26 N2 O10 Rh2 -","1","0.5","","Qing-Song Ye; Jia-Lin Chen; Ming-Jin Xie; Wei-Ping Liu; Shui-Yan Yang","Crystal structure of tetrakis(acetato)bis(4-pyridinemethanol)dirhodium, Rh2(C2H3O2)4(C6H7NO)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","147","","","","","0.71073","MoKα","","0.0471","0.037","","","0.0841","0.09","","","","","","1.069","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103138","7.0731","0.0009","7.383","0.001","15.18","0.002","100.363","0.003","90.355","0.003","112.528","0.002","717.81","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(μ~2~-2,2'-Bipyrimidine)-bis((2,2'-bipyrimidine)dichloromanganese(II)),","","- C24 H18 Cl4 Mn2 N12 -","- C24 H18 Cl4 Mn2 N12 -","- C24 H18 Cl4 Mn2 N12 -","1","0.5","","Kwang Ha","Crystal structure of (μ2-2,2'-bipyrimidine)-bis((2,2'-bipyrimidine)tetrachlorodimanganese(II)), Mn2Cl4(C8H6N4)3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","151","","","","","0.71073","MoKα","","0.1033","0.0565","","","0.1035","0.1669","","","","","","1.192","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103139","11.9754","0.0017","17.585","0.003","19.587","0.003","90","","106.981","0.002","90","","3944.9","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline-lead(II)]- benzene-1,4-dicarboxylato], [Pb(C~19~H~10~N~4~FCl)~2~(C~8~H~4~O~4~)]","","- C46 H24 Cl2 F2 N8 O4 Pb -","- C46 H24 Cl2 F2 N8 O4 Pb -","- C184 H96 Cl8 F8 N32 O16 Pb4 -","4","0.5","","Xiu-Yan Wang; Xiao-Yuan Ma; Hong-Bin Xu","Crystal structure of [(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline]-(benzene-1,4-dicarboxylato)lead(II), Pb(C19H10N4FCl)2(C8H4O4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","149","","","","","0.71073","MoKα","","0.0485","0.0393","","","0.099","0.1044","","","","","","1.002","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103140","10.31","0.005","10.521","0.005","12.168","0.005","80.808","0.005","81.973","0.005","79.638","0.005","1273.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[[dipyrido[7,6 -a:6',7'-c]-3-chloropyrido[2,3-<i>b</i>]quinoxaline)lead(II)]- naphthalene-1,4-dicarboxylato], [Pb(C~17~H~8~N~4~Cl)~2~(C~12~H~6~O~4~)]","","- C29 H12 Cl N4 O4 Pb -","- C29 H12 Cl N5 O4 Pb -","- C58 H24 Cl2 N10 O8 Pb2 -","2","1","","Ji-Ku Wang; Hao Chen; Hong-Bin Xu","Crystal structure of dipyrido[7,6-a:6',7'-c]-3-chloro-pyrido[2,3-b]-quinoxaline)-(naphthalene-1,4- dicarboxylato)lead(II), Pb(C17H8N4Cl)(C12H6O4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","361","","","","","0.71073","MoKα","","0.0595","0.0511","","","0.1311","0.1382","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103141","18.878","0.005","13.481","0.005","19.633","0.005","90","0.005","121.659","0.005","90","0.005","4253","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[bis[(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline- <i>κ</i>^2^<i>N</i>,<i>N</i>')manganese(II)]- benzene-1,4-dicarboxylato-2,5-dicarboxylic acid], [Mn(C~19~H~10~N~4~FCl)~2~(C~10~H~4~O~4~)]","","- C48 H24 Cl2 F2 Mn N8 O8 -","- C48 H24 Cl2 F2 Mn N8 O8 -","- C192 H96 Cl8 F8 Mn4 N32 O32 -","4","0.5","","Zhi-Guo Kong; Xiao-Yuan Ma; Shuai Ma","Crystal structure of [bis[(2-(2-chloro-6-fluorophenyl)-1H-imidazo-[4,5-f][1,10]phenanthroline-?2N,N')]manganese(II) benzene-1,4-dicarboxylato-2,5-dicarboxylic acid], [Mn(C19H10N4FCl)2(C10H4O4)]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","339","","","","","0.71073","MoKα","","0.1259","0.0649","","","0.1649","0.1828","","","","","","0.907","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103142","18.2901","0.001","10.6611","0.0006","20.8722","0.0011","90","","100.122","0.001","90","","4006.6","0.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[(2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline-lead(II)]- 5-nitro-1,3-benzenedicarboxylato], [Pb(C~19~H~11~N~4~F)~2~(C~8~H~3~NO~6~)]^.^1.5H~2~O","","- C92 H56 F4 N18 O15 Pb2 -","- C92 H50 F4 N18 O15 Pb2 -","- C184 H100 F8 N36 O30 Pb4 -","2","0.5","","Xiu-Yan Wang; Shuai Ma; Yu He","Crystal structure of (2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline)-(5-nitro-1,3-benzenedicarboxylato)lead(II) sesquihydrate, Pb(C19H11N4F)2(C8H3NO6) · 1.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","350","","","","","0.71073","MoKα","","0.0543","0.039","","","0.0904","0.096","","","","","","1.037","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103143","8.8819","0.0015","9.8307","0.0016","12.965","0.002","81.616","0.002","80.166","0.002","73.902","0.002","1065.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[11-fluoro-dipyrido[3,2-a:2',3'-c]phenazine-cadmium(II)]- adpiato], [Cd~2~(C~18~H~9~N~4~F)~2~(C~6~H~8~O~4~)~2~]","","- C48 H34 Cd2 F2 N8 O8 -","- C48 H32 Cd2 F2 N8 O8 -","- C48 H32 Cd2 F2 N8 O8 -","1","0.5","","Xiu-Yan Wang; Shuai Ma; Yu He","Crystal structure of bis(11-fluoro-dipyrido-[3,2-a:2',3'-c]-phenazine)adpiatocadmium(II), Cd2(C18H9N4F)2(C6H8O4)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","379","","","","","0.71073","MoKα","","0.0626","0.0587","","","0.1935","0.1969","","","","","","1.19","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103144","16.7295","0.0003","32.1935","0.0005","33.4739","0.0007","90","","90","","90","","18028.4","0.6","110","2","110","2","","","","","","","","6","C c c m","-C 2 2c","66","","zinc-tetra(4-carboxyphenyl)porphyrin with dysprosium ions","","- C144 H72 Dy4 N12 O25 Zn3 -","- C144 H72 Dy4 N12 O25 Zn3 -","- C576 H288 Dy16 N48 O100 Zn12 -","4","0.25","","Sumod George; Israel Goldberg","Crystal structure of catena-tris(5,10,15,20-(4-carboxylatophenyl)porphyrin)-aqua-tetradysprosium-trizinc solvate, (C48H24N4O8Zn)3Dy4(H2O) · (solvent)x","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","411","","","","","0.71073","MoKα","","0.1218","0.0724","","","0.1767","0.187","","","","","","1.208","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103145","7.951","0.005","10.036","0.005","10.345","0.005","88.976","0.005","78.016","0.005","86.207","0.005","805.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bi-4-aminopyridinium hexahydrogen chromo(III)-hexamolybdate(VI) tetrahydrate, (C~5~H~7~N~2~)~2~(H~3~O)[CrMo~6~(OH)~6~O~18~] 2H~2~O","","- C10 H27 Cr Mo6 N4 O27 -","- C10 H27 Cr Mo6 N4 O27 -","- C10 H27 Cr Mo6 N4 O27 -","1","0.5","","Xiang-Jiang Wu; Xiao-Ming Shen; Peng Zhang; Qian Deng; Shu-Zi Lü; Tie-Jun Cai","Crystal structure of bis(4-aminopyridinium) oxonium chromo(III)-hexamolybdate(VI) dihydrate, [C5H7N2]2[H3O][CrMo6(OH)6O18] · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","387","","","","","0.71069","MoKα","","0.0424","0.0404","","","0.1142","0.1159","","","","","","1.033","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103146","11.7094","0.0004","25.7946","0.0009","16.6748","0.0006","90","","97.205","0.001","90","","4996.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H29 Mo12 N8 O41 P -","- C20 H29 Mo12 N8 O41 P -","- C80 H116 Mo48 N32 O164 P4 -","4","0.5","","Xiang-Jiang Wu; Shu-Zi Lü; Qing Cai; Chuan-Lei Zhang; Tie-Jun Cai","Crystal structure of tris(4-aminopyridinium)phosphato-polyoxo-dodecamolybdate — 4-aminopyridine — water (1:1:1), [C5H7N2]3[PMo12O40] · C5H6N2 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","389","","","","","0.71073","MoKα","","0.0472","0.0436","","","0.1372","0.1417","","","","","","1.008","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103147","25.102","0.004","10.5404","0.0018","14.994","0.002","90","","91.445","0.002","90","","3965.9","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 Cl2 N2 O2 Zn -","- C17 H26 Cl2 N2 O2 Zn -","- C136 H208 Cl16 N16 O16 Zn8 -","8","1","","Shu-Jing Li; Ke Li","Crystal structure of dichloro-2-[(3-cyclohexylamino-propylimino)-methyl]-5-methoxyphenolatozinc(II), Zn(C17H26N2O2)Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","319","","","","","0.71073","MoKα","","0.0463","0.0336","","","0.0844","0.0916","","","","","","1.017","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103148","14.229","0.0003","18.1985","0.0003","16.0679","0.0003","90","","101.379","0.0007","90","","4078.94","0.13","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N5 O -","- C22 H23 N5 O -","- C176 H184 N40 O8 -","8","2","","Byung-Soon Kim; Shinya Matsumoto; Young-A Son","Crystal structure of (Z)-2-amino-3-[(E)-2-(benzyloxy)-4-(diethylamino)-benzylideneamino]-2-butenedinitrile, C22H23N5O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","428","","","","","1.54187","CuKα","","","0.0526","","","","0.0836","","","","","","1.16","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103149","8.4446","0.001","10.9575","0.0013","12.084","0.002","90","","90","","90","","1118.2","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trimethylsulfoxonium phthalimide","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","0.5","","Eyad Mallah; Qutaiba Abu-Salem; Wael Abu Dayyih; Mohammed Hamad; Manfred Steimann; Caecilia Maichle-Mössmer","Crystal structure of trimethylsulfoxonium phthalimide, [C3H9SO][C8H4NO2]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","345","","","","","0.71073","MoKα","","0.0663","0.054","","","0.1038","0.108","","","","","","1.235","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103150","8.1874","0.0003","12.2733","0.0003","16.6712","0.0006","98.341","0.001","100.289","0.001","104.827","0.003","1561.03","0.09","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H30 Cl Co N3 O8 -","- C30 H27 Cl Co N3 O8 -","- C60 H54 Cl2 Co2 N6 O16 -","2","1","","Gábor Baráth; Gergely Rácz; Gábor Speier; József Sándor Pap; József Kaizer; Michel Giorgi","Crystal structure of [3-(N-methyl-2-pyridyl-N-hydroxy-methyl-2-pyridyl)aminopropionic acid-?4N,N',N'',O]-(flavonolato-?2O,O')cobalt(III) chloride — water (1:2), [Co(C15H17N3O3)(C15H9O3)]Cl · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","414","","","","x-ray","0.71073","MoKα","","0.1388","0.0892","","","0.2223","0.2629","","","","","","1.065","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103151","9.0532","0.0003","10.9311","0.0003","10.1107","0.0003","90","","107.171","0.001","90","","955.97","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Richard Betz; Thomas Gerber","Crystal structure of (Z)-4-(phenylamino)pent-3-en-2-one, C11H13NO, at 200 K","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","373","","","","","0.71073","MoKα","","0.0476","0.0433","","","0.1173","0.1236","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103152","11.4595","0.0006","10.4624","0.0005","14.1316","0.0006","90","","114.325","0.002","90","","1543.88","0.13","296.1","","296.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C60 H68 N20 O4 -","4","1","","Byung-Soon Kim; Shinya Matsumoto; Young-A Son","Crystal structure of (Z)-2-amino-3-[(E)-4-(dimethylamino)-2-ethoxybenzylideneamino]-2-butenedinitrile, C15H17N5O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","385","","","","","1.54187","CuKα","","","0.0519","","","","0.0886","","","","","","1.211","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103153","5.442","0.002","14.935","0.005","6.931","0.002","90","","99.016","0.008","90","","556.4","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Acridinium chloride monohydrate","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C26 H24 Cl2 N2 O2 -","2","1","","Kwang Ha","Crystal structure of acridinium chloride monohydrate, [C13H10N]Cl · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","321","","","","","0.71073","MoKα","","0.1098","0.0567","","","0.0956","0.1312","","","","","","1.08","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103154","26.276","0.005","8.0555","0.0014","19.944","0.003","90","","121.309","0.003","90","","3606.7","1.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Acridinium dichloro(pyridine-2-carboxylato-κ^2^N,O)platinate(II)","","- C19 H14 Cl2 N2 O2 Pt -","- C19 H14 Cl2 N2 O2 Pt -","- C152 H112 Cl16 N16 O16 Pt8 -","8","1","","Kwang Ha","Crystal structure of acridinium dichloro-(pyridine-2-carboxylato-?2N,O)platinate(II), [C13H10N][PtCl2(C6H4NO2)]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","325","","","","","0.71073","MoKα","","0.0894","0.0369","","","0.0628","0.0855","","","","","","1.024","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103155","7.4576","0.0005","17.5319","0.0007","6.4822","0.0004","90","","109.011","0.006","90","","801.29","0.08","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","0.5","","Shu-Hua He; Shi-Xu Yi; Jian Men","Crystal structure of 1,4-dibutoxy-2,5-diethynylbenzene, C18H22O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","371","","","","","0.7107","MoKα","","0.0586","0.0407","","","0.109","0.1151","","","","","","1.033","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103156","16.9725","0.0016","7.3779","0.0007","17.3459","0.0017","90","","94.28","0.002","90","","2166","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N-[1-(2,6-dichloro-4-trifluoromethyl) phenyl-3-cyano-1H-pyrazol-5-yl]-N'-4-chlorobenzoyl Thioureas","","- C19 H9 Cl3 F3 N5 O S -","- C19 H9 Cl3 F3 N5 O S -","- C76 H36 Cl12 F12 N20 O4 S4 -","4","1","","Jun Dai; Xiao-Hong Zhang; Chenghai Wu; Mingmin Wang; Ping Zhong","Crystal structure of N-[1-(2,6-dichloro-4-trifluoro- methyl)-phenyl-3-cyano-1H-pyrazol-5-yl]-N'-4-chlorobenzoyl-thiourea, C19H9Cl3F3N5OS","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","307","","","","","0.71073","MoKα","","0.082","0.0736","","","0.1717","0.1766","","","","","","1.178","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103157","6.9046","0.0012","6.9097","0.0012","12.981","0.002","90.123","0.004","101.625","0.004","101.53","0.004","593.78","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(3-ethoxy-2-hydroxybenzylidene)octane-1,8-diamine","","- C26 H36 N2 O4 -","- C26 H36 N2 O4 -","- C26 H36 N2 O4 -","1","0.5","","Kwang Ha","Crystal structure of N,N'-bis(3-ethoxy-2-hydroxy-benzylidene)-octane-1,8-diamine, C26H36N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","327","","","","","0.71073","MoKα","","0.0949","0.0593","","","0.1445","0.1757","","","","","","1.044","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103158","5.7236","0.0007","7.0751","0.0009","7.9418","0.001","81.001","0.002","70.01","0.002","66.231","0.002","276.53","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Bis(pentane-2,4-dionato-κ^2^O,O')platinum(II)","","- C10 H14 O4 Pt -","- C10 H14 O4 Pt -","- C10 H14 O4 Pt -","1","0.5","","Kwang Ha","Crystal structure of bis(pentane-2,4-dionato-?2O,O')platinum(II), Pt(C5H7O2)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","329","","","","","0.71073","MoKα","","0.0295","0.0293","","","0.0692","0.0696","","","","","","1.093","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103159","15.0365","0.0012","6.8075","0.0006","13.8335","0.0011","90","","96.693","0.007","90","","1406.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-methyl-5-(2-(2-(1-methyl-1H-tetrazol-5-ylthio)ethoxy)ethylthio)-1H-tetrazole","","- C8 H14 N8 O S2 -","- C8 H14 N8 O S2 -","- C32 H56 N32 O4 S8 -","4","1","","Wei-Qiu Kan; Jian-Fang Ma","Crystal structure of 5,5'-[oxybis(ethylthio)]bis(1-methyl-1H-tetrazole), C8H14N8OS2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","301","","","","","0.71073","MoKα","","0.0748","0.0473","","","0.117","0.1344","","","","","","1.075","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103160","8.6594","0.0007","7.973","0.0006","15.1266","0.0008","90","","94.539","0.006","90","","1041.09","0.13","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,4-bis((4-bromophenoxy)methyl)-1,3,5-trimethylbenzene","","- C11.5 H11 Br O -","- C11.5 H11 Br O -","- C46 H44 Br4 O4 -","4","1","","Wei-Qiu Kan; Jian-Fang Ma","Crystal structure of 2,4-bis((4-bromophenoxy)methyl)-1,3,5-trimethylbenzene, C23H22Br2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","403","","","","","0.71073","MoKα","","0.0703","0.0371","","","0.0679","0.0732","","","","","","0.82","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103161","14.567","0.003","12.543","0.003","31.248","0.007","90","","90.278","0.004","90","","5709","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(<i>μ</i>~3~-iodo)-(<i>μ</i>~2~-iodo)-bis(<i>μ</i>~2~-bis(diphenylphosphine)ethane) -tri-copper(I) dimethylformamide solvate","","- C55 H55 Cu3 I3 N O P4 -","- C55 H55 Cu3 I3 N O P4 -","- C220 H220 Cu12 I12 N4 O4 P16 -","4","1","","Le-Qing Fan","Crystal structure of bis(?3-iodo)-(?2-iodo)-bis(?2-bis(diphenylphosphine)ethane)tricopper(I) — dimethylformamide (1:1), Cu3I3(C26H24P2)2 · C3H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","391","","","","","0.71073","MolybdenumKα","","0.0625","0.0509","","","0.1552","0.1656","","","","","","1.06","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103162","17.522","0.002","17.522","0.002","18.583","0.003","90","","90","","90","","5705.4","1.3","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C27 H27 Cl2 N9 Zn -","- C27 H27 Cl2 N9 Zn -","- C216 H216 Cl16 N72 Zn8 -","8","1","","Željko K. Jacimovic; Sladjana B. Novakovic; Goran A. Bogdanovic; Svetlana Beloševic; Anja Jokic; Vukadin M. Leovac","Crystal structure of chlorido-tris(3-amino-5-phenyl-1H- pyrazole-N2)zinc(II) chloride, [ZnCl(C9H9N3)3]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","397","","","","","0.71073","MoKα","","0.0952","0.0396","","","0.0977","0.1142","","","","","","0.989","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103163","9.4782","0.0002","13.8067","0.0004","14.8094","0.0005","90.635","0.002","93.462","0.002","93.506","0.002","1930.63","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis[(N,N'-butylenebis(imidazole))(5-aminoisophthato)zinc(II)]","","- C36 H38 N10 O8 Zn2 -","- C36 H32 N10 O8 Zn2 -","- C72 H64 N20 O16 Zn4 -","2","1","","Wei-Qiu Kan; Jian-Fang Ma","Crystal structure of (N,N'-butylenebis(imidazole))-(5-aminoisophthalato)zinc(II), Zn(C8H5NO4)(C10H14N4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","394","","","","","0.71073","MoKα","","0.1101","0.0663","","","0.1198","0.1371","","","","","","1.131","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103164","6.6858","0.0003","7.9713","0.0003","16.7515","0.0006","86.044","0.002","78.555","0.002","74.218","0.002","841.92","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N4 O3 -","- C17 H22 N4 O3 -","- C34 H44 N8 O6 -","2","1","","Xue-Wen Zhu; Ying-Jun Zhang; Chun-Xia Zhang; Heng-Yu Qian","Crystal structure of (E)-N'-(4-(diethylamino)-2-hydroxybenzylidene)nicotinohydrazide — water (1:1), C17H20N4O2 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","375","","","","","0.71073","MoKα","","0.0536","0.0454","","","0.1329","0.1388","","","","","","1.091","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103165","9.7823","0.0012","10.1353","0.0012","11.2765","0.0013","94.587","0.001","99.261","0.001","101.145","0.001","1075.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Co N4 O4 -","- C21 H24 Co N4 O4 -","- C42 H48 Co2 N8 O8 -","2","1","","Min-Le Han; Rui Zhang; Zu-Qiang Zhang","Crystal structure of catena-{[?2-5-methylisophthalato]-[?2-1,6-bis(imidazol-1-yl)-hexane]cobalt(II)}, Co(C9H6O4)(C12H18N4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","303","","","","","0.71073","MoKα","","0.0425","0.0333","","","0.0724","0.0772","","","","","","1.018","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103166","10.9601","0.0016","14.2234","0.0017","9.1485","0.0012","90","","92.924","0.012","90","","1424.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(2,6-dichlorobenzylidene)-4-nitrobenzohydrazide","","- C14 H9 Cl2 N3 O3 -","- C14 H9 Cl2 N3 O3 -","- C56 H36 Cl8 N12 O12 -","4","1","","Zhi-Gang Yin; Quan-Ling Wang; Heng-Yu Qian; Chun-Xia Zhang","Crystal structure of N'-(2,6-dichlorobenzylidene)-4-nitrobenzohydrazide, C14H9Cl2N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","381","","","","","0.71073","MoKα","","0.0745","0.0453","","","0.0997","0.1156","","","","","","0.999","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103167","8.3393","0.0009","10.2964","0.0012","12.0257","0.0014","80.738","0.001","84.484","0.001","83.436","0.001","1009.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Mn N4 O4 -","- C21 H24 Mn N4 O4 -","- C42 H48 Mn2 N8 O8 -","2","1","","Min-Le Han; Chun-Cai Pan; Zu-Qiang Zhang","Crystal structure of catena-{[?3-5-methylisophthalato]-[?2-1,6-bis(imidazol-1-yl)-hexane]manganese(II)}, Mn(C9H6O4)(C12H18N4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","405","","","","","0.71073","MoKα","","0.0387","0.0329","","","0.0824","0.0866","","","","","","1.042","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103168","8.4687","0.0005","9.467","0.0005","10.4823","0.0006","73.007","0.001","71.567","0.001","89.582","0.001","759.11","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O18 S2 -","- C26 H28 N2 O18 S2 -","- C26 H28 N2 O18 S2 -","1","0.5","","Xin-Xiang Lei; An-Jiang Zhang","Crystal structure of 1,1'-dihydro-[4,4'-bipyridine]-1,1'-diium-bis(2-sulfonatoterephthalic acid) — water (1:4), (C10H10N2)(C8H5O7S)2 · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","317","","","","","0.71073","MoKα","","0.0378","0.0353","","","0.1045","0.1099","","","","","","1.113","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103169","11.9394","0.0005","7.6572","0.0003","22.4747","0.0009","90","","90","","90","","2054.69","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-(thiophen-2-ylmethylene)furan-2-carbohydrazide","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C80 H64 N16 O16 S8 -","8","1","","Heng-Yu Qian; Quan-Ling Wang; Zhi-Gang Yin; Chun-Xia Zhang","Crystal structure of N'-(2-thienylmethylene)-furan-2-carbohydrazide, C10H8N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","419","","","","","0.71073","MoKα","","0.0796","0.0602","","","0.1733","0.188","","","","","","1.054","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103170","9.6245","0.0006","10.9445","0.0006","12.7679","0.0007","101.015","0.001","111.51","0.001","93.545","0.001","1215.32","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","(Acridine)dichloro(dimethyl sulfoxide-κ<i>S</i>)palladium(II) - dimethyl sulfoxide (1:2)","","- C19 H27 Cl2 N O3 Pd S3 -","- C19 H27 Cl2 N O3 Pd S3 -","- C38 H54 Cl4 N2 O6 Pd2 S6 -","2","1","","Kwang Ha","Crystal structure of (acridine)dichloro(dimethyl sulfoxide-?S)-palladium(II) — dimethyl sulfoxide (1:2), PdCl2(C13H9N)(C2H6SO) · 2C2H6SO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","323","","","","","0.71073","MoKα","","0.0747","0.046","","","0.0821","0.1066","","","","","","1.078","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103171","8.2605","0.0004","11.9532","0.0006","20.7348","0.0011","90","","90","","90","","2047.34","0.18","200","2","200","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Bis(2,2'-bipyrimidine-κ^2^N,N')dichloromanganese(II) - nitromethane (1:1)","","- C17 H15 Cl2 Mn N9 O2 -","- C17 H15 Cl2 Mn N9 O2 -","- C68 H60 Cl8 Mn4 N36 O8 -","4","0.5","","Kwang Ha","Crystal structure of bis(2,2'-bipyrimidine-?2N,N')dichloromanganese(II) — nitromethane (1:1), MnCl2(C8H6N4)2 · CH3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","421","","","","","0.71073","MoKα","","0.0657","0.0363","","","0.0679","0.0905","","","","","","1.124","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103172","7.29","0.0007","8.9289","0.0009","12.0501","0.00014","69.578","0.001","78.015","0.002","69.99","0.001","687.21","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Fe N6 O12 -","- C20 H32 Fe N6 O12 -","- C20 H32 Fe N6 O12 -","1","0.5","","E-Yu Ji; Hai-Ling Chen","Crystal structure of [diaquabis(4-carboxy-2-ethyl-1H- imidazole-5-carboxylato-?2N3,O4)iron(II)] — N,N-dimethylformamide (1:2), Fe(C7H7N2O4)2(H2O)2 · 2C3H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","431","","","","","0.71073","MoKα","","0.0488","0.038","","","0.0934","0.1028","","","","","","1.081","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103173","19.43","0.004","5.3621","0.0011","19.692","0.004","90","","90","","90","","2051.6","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H20 N4 O3 -","- C23 H20 N4 O3 -","- C92 H80 N16 O12 -","4","1","","Wu-Lan Zeng","Crystal structure of 1-(4-ethylphenyl)-2-nicotinoyl-3-(1H-benzo[d]-1,2,3-triazol-1-yl)-1-oxopropan, C23H20N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","407","","","","","0.71073","MoKα","","0.1394","0.0513","","","0.104","0.1332","","","","","","0.986","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103174","7.2178","0.0014","36.6","0.007","9.1878","0.0018","90","","90","","90","","2427.2","0.8","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","4-phenylbutylammonium dihydrogenphosphate","","- C10 H18 N O4 P -","- C10 H18 N O4 P -","- C80 H144 N8 O32 P8 -","8","","","Jaeun Kang; Kyungna Jung; Jeesun Ahn; Yeonsun Jung; Seonhong Kim; Yumi Lee; Hoseop Yun; Junghwan Do","Crystal structure of 4-phenylbutylammonium dihydrogen phosphate, [C6H5(CH2)4NH3)](H2PO4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","423","","","","","0.71073","MoKα","","0.0528","0.0434","","","0.0996","0.1049","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103175","7.105","0.005","10.578","0.007","11.007","0.007","71.575","0.014","84.51","0.015","77.47","0.017","765.8","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Dichloro-bis(dimethylsulfoxide-O)-bis(isonicotinic acid-N)-copper(II) dimethylsulfoxide solvate","","- C20 H34 Cl2 Cu N2 O8 S4 -","- C20 H34 Cl2 Cu N2 O8 S4 -","- C20 H34 Cl2 Cu N2 O8 S4 -","1","0.5","","Jaeun Kang; Inhae Park; Youngbum Kwak; Yeonsun Jung; Seonhong Kim; Yumi Lee; Hoseop Yun; Junghwan Do","Crystal structure of dichlorobis(dimethylsulfoxide-O)bis(isonicotinic acid-N)copper(II) — dimethylsulfoxide (1:2), [CuCl2(C6H5NO2)2(C2H6OS)2]2 · 2C2H6OS","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","311","","","","","0.71073","MoKα","","0.1256","0.0497","","","0.1219","0.1548","","","","","","0.911","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103176","8.1522","0.0005","11.6765","0.0007","11.9942","0.0007","90","","91.667","0.001","90","","1141.23","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ~2~-2,2'-Bipyrimidine)-octaaquadimanganese(II) bis(sulfate) dihydrate","","- C8 H26 Mn2 N4 O18 S2 -","- C8 H26 Mn2 N4 O18 S2 -","- C16 H52 Mn4 N8 O36 S4 -","2","0.5","","Kwang Ha","Crystal structure of octaaqua(?2-2,2'-bipyrimidine)dimanganese(II) bis(sulfate) — water (1:2), [Mn2(H2O)8(C8H6N4)][(SO4)2] · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","313","","","","","0.71073","MoKα","","0.0583","0.0361","","","0.083","0.1041","","","","","","1.116","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103177","12.8384","0.0012","10.2435","0.0009","18.7304","0.0019","90","","92.553","0.002","90","","2460.8","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acridinium) tetrachloromanganate(II)","","- C26 H20 Cl4 Mn N2 -","- C26 H20 Cl4 Mn N2 -","- C104 H80 Cl16 Mn4 N8 -","4","0.5","","Kwang Ha","Crystal structure of bis(acridinium)tetrachloromanganate(II), [(C13H10N)2][MnCl4]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","309","","","","","0.71073","MoKα","","0.1514","0.0548","","","0.0992","0.139","","","","","","0.929","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103178","9.6994","0.0002","25.2194","0.0004","11.2571","0.0002","90","","93.788","0.002","90","","2747.62","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[bisaqua-bis(2,2'-bipyridine) nickel(ii)]- (9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate dinitrate dihydrate","","- C54 H50 N10 Ni2 O20 S2 -","- C54 H50 N10 Ni2 O20 S2 -","- C108 H100 N20 Ni4 O40 S4 -","2","0.5","","Zhaoxun Lian; Ning Zhao; Fengxia Yang; Ping Liu","Crystal structure of bis[bisaqua-bis(2,2'-bipyridine)-nickel(II)](9,10-dioxo-9,10-anthracene-2,6-disulfonate) dinitrate dihydrate, [Ni(H2O)2(C10H8N2)2]2[C14H6S2O8][NO3]2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","425","","","","","1.54178","CuKα","","0.0595","0.0549","","","0.1541","0.161","","","","","","1.097","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103179","11.2462","0.0011","14.0159","0.0014","14.0417","0.0014","60.163","0.002","84.072","0.002","85.667","0.002","1908.9","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tris(2,2'-bipyrimidine-κ^2^N,N')manganese(II) bis(triiodide) - nitromethane (1:1)","","- C25 H21 I6 Mn N13 O2 -","- C25 H21 I6 Mn N13 O2 -","- C50 H42 I12 Mn2 N26 O4 -","2","1","","Kwang Ha","Crystal structure of tris(2,2'-bipyrimidine-?2N,N')manganese(II) bis(triiodide) — nitromethane (1:1), [Mn(C8H6N4)3][I3]2 · CH3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","365","","","","","0.71073","MoKα","","0.1168","0.0667","","","0.1382","0.1675","","","","","","1.03","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103180","44.599","0.003","9.7687","0.0013","22.37","0.002","90","","110.832","0.002","90","","9108.9","1.6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H77 Cu4 N12 O0.5 P4 S4 -","- C102 H77 Cu4 N12 O0.5 P4 S4 -","- C408 H308 Cu16 N48 O2 P16 S16 -","4","0.5","","Ye-Lan Xiao; Zhong-Feng Li; Rong Wang; Qiong-Hua Jin; Wei Yang; Cun-Lin Zhang","Crystal structure of (?-bis(diphenylphosphinomethane-?2P,P'))bis(1,10-phenanthroline-?2N,N')bis(thiocyanate-?N)copper(I) — water (1:0.25), [Cu2(C25H22P2)(C12H8N2)2(CNS)2]2 · 0.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","400","","","","","0.71073","MoKα","","0.1188","0.0485","","","0.1067","0.1421","","","","","","1.006","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103181","12.2812","0.0002","12.2812","0.0002","18.774","0.0004","90","","90","","120","","2452.27","0.08","293","2","293","2","","","","","","","","5","P 62","P 62","171","","Bis[l-2-(1H-benzoimidazol-2-yl)benzoato?^2^N,O](1,10-phenanthroline)Cd(II)","","- C40 H26 Cd N6 O4 -","- C40 H26 Cd N6 O4 -","- C120 H78 Cd3 N18 O12 -","3","0.5","","Chun Chen; Jian-Fang Ma","Crystal structure of bis[2-(1H-benzimidazol-2-yl)-benzoato-?2N,O](1,10-phenanthroline)Cd(II), Cd(C14H9N2O2)2(C12H8N2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","409","","","","","0.71073","MoKα","","0.0528","0.0288","","","0.0559","0.0589","","","","","","0.819","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103182","8.061","0.0011","10.8567","0.0014","12.2892","0.0016","65.374","0.002","87.066","0.003","76.325","0.002","948.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Cd O26 -","- C32 H38 Cd O26 -","- C32 H38 Cd O26 -","1","0.5","","Chong Zhen Mei; Peng Zhang; Wen Wen Shan","Crystal structure of hexaaqua-bis(1,1'-biphenyl-2,2',6,6'-tetracarboxylic acid)cadmium(II) tetrahydrate, [Cd(H2O)6](C16H9O8)2 · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","383","","","","","0.71073","MoKα","","0.0456","0.0376","","","0.1057","0.1105","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103183","4.206","0.001","4.206","0.001","7.653","0.002","90","","90","","120","","117.25","0.05","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Nd P Pd -","- Nd0.0833333 P0.0833333 Pd0.0833333 -","- Nd2 P2 Pd2 -","24","1","","Volodymyr Babizhetskyy; Stepan Oryshchyn; Olga Zhak; Oleg Lysyy; Arndt Simon","Refinement of the crystal structure of neodymium palladium phosphide, NdPdP","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","1","","","","","0.56086","AgKα","","0.0366","0.0325","","","0.0791","0.0809","","","","","","1.065","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103184","13.138","0.003","13.111","0.003","6.7254","0.0013","90","","114.62","0.03","90","","1053.2","0.5","","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag3 O12 P3 Tl2 -","- Ag3 O12 P3 Tl2 -","- Ag12 O48 P12 Tl8 -","4","0.5","","Volker Dietrich; Dragan Pitzschke; Martin Jansen","Crystal structure of silver thallium phosphate, Ag3Tl2(PO4)3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","7","","","","x-ray","0.71073","MoKα","","0.045","0.0449","","","0.145","0.1451","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103185","14.312","0.004","10.604","0.003","6.839","0.002","90","","90","","90","","1037.9","0.5","290","1","290","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dipotassium tricadmium(II) tetraselenide","","- Cd3 K2 Se4 -","- Cd3 K2 Se4 -","- Cd12 K8 Se16 -","4","0.5","","Young-Tae Kim; Hoseop Yun; Kang-Woo Kim","Refinement of the crystal structure of dipotassium tricadmium(II) tetraselenide, K2Cd3Se4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","2","157","","","","","0.7107","MoKα","","0.0326","0.0268","","","0.0637","0.0654","","","","","","1.137","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103186","7.1657","0.0002","7.1657","0.0002","10.6581","0.0004","90","","90","","90","","547.26","0.03","293","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Si3 Yb -","- Si3 Yb -","- Si24 Yb8 -","8","0.25","","Aron Wosylus; Yurii Prots; Ulrich Schwarz","Crystal structure of ytterbium trisilicide, YbSi3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","295","","","","","0.71073","MoKα","","0.021","0.02","","","0.044","0.045","","","","","","1.248","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103187","10.1993","0.0002","10.1993","0.0002","10.1993","0.0002","90","","90","","90","","1060.99","0.04","295","2","295","2","","","","","","","synthesis as described","5","P 21 3","P 2ac 2ab 3","198","","","","- H4 Hf2 Li O14 P3 -","- H4.02 Hf2 Li O14 P3 -","- H16.08 Hf8 Li4 O56 P12 -","4","0.333333","","Shuang Chen; Stefan Hoffmann; Horst Borrmann; Rüdiger Kniep","Crystal structure of a lithium-filled langbeinite variant, Li(H2O)2[Hf2(PO4)3]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","299","","","","x-ray","0.56089","AgKα","","0.0268","0.022","","","0.0336","0.0346","","","","","","0.993","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103188","9.4707","0.0008","12.4239","0.0008","16.9518","0.0011","97.342","0.005","103.227","0.006","110.257","0.007","1774.2","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","mono(1-(4-carboxyphenyl)-5-mercapto-1H-tetrazole)-bis(1,10-phenanthroline) copper(II) tetrachlorate— methanol(1:1.5)[Cu(C~8~H~5~N~4~O~2~S)(C~12~H~8~N~2~)~2~]][ClO~4~].1.5CH~3~OH","","- C33.5 H27 Cl Cu N8 O7.5 S -","- C33.5 H27 Cl Cu N8 O7.5 S -","- C67 H54 Cl2 Cu2 N16 O15 S2 -","2","1","","Jing Feng","Crystal structure of [1-(4-carboxyphenyl)-5-mercapto-1H-tetrazole]-bis(1,10-phenanthroline)copper(II) perchlorate — methanol (1:1.5), [Cu(C8H5N4O2S)(C12H8N2)2][ClO4] • 1.5CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","491","","","","","0.71073","MoKα","","0.086","0.0511","","","0.1323","0.1386","","","","","","0.944","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103189","11.3318","0.0003","11.812","0.0003","12.1403","0.0003","60.949","0.002","86.274","0.002","65.506","0.002","1273.58","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","diaqua-tri[3,3'-(butane-1,4-diyl)diimidazol-1-ium]octamolybdate","","- C30 H50 Mo8 N12 O28 -","- C30 H50 Mo8 N12 O28 -","- C30 H50 Mo8 N12 O28 -","1","0.5","","Wei-Qiu Kan; Jian-Fang Ma","Crystal structure of [3,3'-butylenebis(imidazole-1,1'-diium)]bis[3,3'-butylenebis(imidazol-1-ium)]octamolybdate — water (1:2), [C10H16N4][(C10H15N4)Mo8O26] • 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","497","","","","","0.71073","MoKα","","0.0385","0.0259","","","0.0529","0.0551","","","","","","0.935","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103190","15.1807","0.0002","8.4114","0.0001","28.6983","0.0004","90","","90","","90","","3664.51","0.08","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C12 H24 B Cu F4 N5 O3 -","- C12 H24 B Cu F4 N5 O3 -","- C96 H192 B8 Cu8 F32 N40 O24 -","8","2","","Mei-Ye Jia; Hong-Yu Zhou; Shuang-Yan Wang; Feng-Mei Nie","Crystal structure of (tris(2-aminoethyl)amine-N,N',N'')-(nicotinate-N)copper(II) tetrafluoroborate hydrate, [Cu(C6H18N4)(C6H4NO2)][BF4] • H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","608","","","","","0.71073","MoKα","","0.0455","0.0321","","","0.074","0.079","","","","","","1.035","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103191","6.255","0.005","9.095","0.005","17.925","0.005","80.113","0.005","87.715","0.005","74.388","0.005","967.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,3-bis(o-hydroxybenzyl)-2- phenylimidazolidine","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C46 H48 N4 O4 -","2","1","","Yan-Wei Li; Li-Qiao Zhang; Zi-Xing Ren; Su Zhang; Jian-Fang Ma","Crystal structure of 1,3-bis(o-hydroxybenzyl)-2-phenylimidazolidine, C23H24N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","489","","","","","0.71073","MoKα","","0.0878","0.0429","","","0.0985","0.1096","","","","","","0.877","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103192","9.824","0.005","9.963","0.005","10.15","0.005","74.044","0.005","86.361","0.005","78.328","0.005","935.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","diaqua-(5-(4-carboxybenzyloxy)isophthalato)tricalcium(II)","","- C32 H34 Ca3 O22 -","- C32 H18 Ca3 O22 -","- C32 H18 Ca3 O22 -","1","0.5","","Jing Li; Jian-Fang Ma","Crystal structure of tetraaquabis(5-(4-carboxybenzyl-oxy)isophthalato)tricalcium(II) tetrahydrate, Ca3(H2O)4(C16H9O7)2 • 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","585","","","","","0.71069","MoKα","","0.0482","0.0372","","","0.1109","0.1142","","","","","","1.041","","","","has coordinates","198633","2020-10-21","18:00:00",""
"8103193","12.056","0.0011","14.3931","0.0013","20.0019","0.0019","90","","92.372","0.001","90","","3467.8","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H33 Cl2 N P2 Pd -","- C38 H33 Cl2 N P2 Pd -","- C152 H132 Cl8 N4 P8 Pd4 -","4","0.5","","Li-Na Cui; Zhong-Feng Li; Jin Wen; Yu-Han Jiang; Qiong-Hua Jin; Hui-Li Gong","Crystal structure of bis(triphenylphospine-?P)-dichloropalladium(II) — acetonitrile (1:1), [PdCl2(C18H15P)2] • CH3CN","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","591","","","","","0.71073","MoKα","","0.1043","0.07","","","0.1507","0.1784","","","","","","1.059","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103194","12.056","0.0011","14.3931","0.0013","20.0019","0.0019","90","","92.372","0.001","90","","3467.8","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H33 Cl2 N P2 Pd -","- C38 H33 Cl2 N P2 Pd -","- C152 H132 Cl8 N4 P8 Pd4 -","4","0.5","","Li-Na Cui; Zhong-Feng Li; Jin Wen; Yu-Han Jiang; Qiong-Hua Jin; Hui-Li Gong","Crystal structure of bis(triphenylphospine-?P)-dichloropalladium(II) — acetonitrile (1:1), [PdCl2(C18H15P)2] • CH3CN","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","591","","","","","0.71073","MoKα","","0.103","0.0689","","","0.1527","0.1812","","","","","","1.051","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103195","11.4546","0.0009","15.4136","0.0011","30.348","0.002","90","","92.271","0.001","90","","5353.9","0.7","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H64 Cl8 O26 Pb6 -","- C112 H64 Cl8 O26 Pb6 -","- C224 H128 Cl16 O52 Pb12 -","2","0.5","","Zhan-Lin Xu; Bo Liu; Qing-Wei Wang","Crystal structure of (?4-oxygen)tetra(2-(4'-chloro-benzoyl)benzoato)trilead(II), Pb3O(C14H8O3Cl)4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","515","","","","","0.71073","MoKα","","0.0388","0.0295","","","0.0732","0.0768","","","","","","1.025","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103196","11.0757","0.0009","13.4228","0.0011","17.156","0.0015","90.282","0.001","105.346","0.001","112.146","0.001","2262.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H51 Ir N4 O2 -","- C53 H51 Ir N4 O2 -","- C106 H102 Ir2 N8 O4 -","2","1","","Li-Ming Qiang; Long-Tao Zhao; Xin-Ming Dong; Xue-Mei Zhao; Kui Lu; Yu-Fen Zhao","Crystal structure of bis[2-(2-naphthyl)-4,6-dimethyl-pyrimidinyl-?2C,N](dibenzoylmethanato)iridium(III) — n-hexane (1:1), [Ir(C16H13N2)2(C15H11O2)] • C6H14","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","615","","","","","0.71073","MoKα","","0.0675","0.041","","","0.0778","0.0899","","","","","","1.002","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103197","10.507","0.003","10.72","0.003","12.222","0.004","89.232","0.006","70.67","0.006","69.433","0.005","1208","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H42 Cr N6 Ni O8 -","- C14 H42 Cr N6 Ni O8 -","- C28 H84 Cr2 N12 Ni2 O16 -","2","1","","Guang-Chuan Ou; Long-Sheng Zou; Zhi-Hui Yuan","Crystal structure of catena-(?2-chromato-O,O')-3,10-bis-n-propyl-1,3,5,8,10,12-hexaazacyclo-tetradecane-nickel(II) tetrahydrate, Ni(C14H34N6)(CrO4) • 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","543","","","","","0.71073","MoKα","","0.0721","0.0438","","","0.1119","0.1359","","","","","","1.067","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103198","14.239","0.005","5.148","0.002","15.068","0.006","90","","99.166","0.013","90","","1090.4","0.7","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N O2 -","- C12 H14 N O2 -","- C48 H56 N4 O8 -","4","1","","Cheng-Tao Sun","Crystal structure of 1,2-bis[2-(pent-3-en-4-yl-2-one)aminophenoxy]ethane, C24H28N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","503","","","","","0.71073","MoKα","","0.0484","0.0374","","","0.1044","0.1113","","","","","","1.038","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103199","14.216","0.004","14.255","0.006","20.026","0.009","76.705","0.007","84.256","0.006","60.37","0.004","3433","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 N12 Nd2 O40 S4 -","- C50 H42 N12 Nd2 O40 S4 -","- C100 H84 N24 Nd4 O80 S8 -","2","1","","Fu-Lin Zhou; Zhi-Hua Du","Crystal structure of catena-(hexakis(?2-3,5-dinitrobenzoate-O,O')-tetrakis(dimethylsulfoxide-O)dineodymium(III), Nd2[(C7H3N2O6)6(C2H6SO)4]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","471","","","","","0.71073","MoKα","","0.0646","0.0583","","","0.1574","0.1601","","","","","","1.07","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103200","14.293","0.006","14.334","0.006","20.281","0.013","97.899","0.009","95.891","0.009","119.56","0.006","3509","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 La2 N12 O40 S4 -","- C50 H42 La2 N12 O40 S4 -","- C100 H84 La4 N24 O80 S8 -","2","1","","Fu-Lin Zhou; Zhi-Hua Du","Crystal structure of catena-(hexakis(?2-3,5-dinitrobenzoate-O,O')-tetrakis(dimethylsulfoxide-O)dilanthanum(III), La2[(C7H3N2O6)6(C2H6SO)4]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","475","","","","","0.71073","MoKα","","0.1071","0.0991","","","0.1854","0.1893","","","","","","1.094","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103201","7.1075","0.0005","8.0015","0.0006","9.6728","0.0007","77.772","0.002","89.032","0.002","68.724","0.001","499.89","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(2-phenylpyridine-κ<i>N</i>)palladium(II)","","- C22 H18 Cl2 N2 Pd -","- C22 H18 Cl2 N2 Pd -","- C22 H18 Cl2 N2 Pd -","1","0.5","","Kwang Ha","Crystal structure of dichlorobis(2-phenylpyridine-?N)palladium(II), PdCl2(C11H9N)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","501","","","","","0.71073","MoKα","","0.0501","0.0394","","","0.073","0.0848","","","","","","1.098","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103202","8.829","0.003","9.303","0.003","11.601","0.004","103.129","0.005","92.989","0.005","108.096","0.005","874.3","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 N12 Ni O6 S2 -","- C30 H32 N12 Ni O6 S2 -","- C30 H32 N12 Ni O6 S2 -","1","0.5","","Ping Liu; Shihui Li; Zhen Liu; Zhiling Feng; Xiaojing Sun","Crystal structure of hexaimidazolenickel(II) 4,4'-biphenyldisulfonate, [Ni(C3H4N2)6][C12H8S2O6]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","511","","","","","0.71073","MoKα","","0.0346","0.029","","","0.0776","0.0821","","","","","","1.048","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103203","11.116","0.004","11.168","0.007","15.082","0.004","80.23","0.04","82.57","0.03","66.33","0.04","1686.1","1.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Crystal structure of [aqua-bis(2,2'-bipyridine)copper(ii)]- (9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate) trihydrate","","- C34 H30 Cu N4 O12 S2 -","- C34 H30 Cu N4 O12 S2 -","- C68 H60 Cu2 N8 O24 S4 -","2","1","","Ning Zhao; Hong-Ling Li; Hui-Juan Han","Crystal structure of aquabis(2,2'-bipyridyl-N,N')(9,10-dioxoanthracene-2,6-disulfonato)copper(II) — water (1:3), [Cu(H2O)(C10H8N2)2][C14H6S2O8] • 3H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","547","","","","","1.54178","CuKα","","0.0917","0.0818","","","0.2506","0.2764","","","","","","1.082","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103204","7.941","0.005","8.486","0.006","11.024","0.008","86.83","0.03","75.39","0.03","64.5","0.02","647.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Br2 Cl N O -","- C13 H8 Br2 Cl N O -","- C26 H16 Br4 Cl2 N2 O2 -","2","1","","Xin-Li Zhang; Ya-Ning Guo","Crystal structure of 2-bromo-4-chloro-6-[(4-bromo-phenylimino)methyl]phenol, C13H8Br2ClNO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","521","","","","","0.71073","MoKα","","0.0997","0.0566","","","0.1316","0.1382","","","","","","0.999","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103205","6.6356","0.0004","13.1058","0.0008","18.2552","0.0011","90","","98.638","0.001","90","","1569.55","0.16","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ~2~-2,2'-Bipyrimidine)-tetrabromo-tetrakis(dimethyl sulfoxide-κ<i>O</i>) dimanganese(II)","","- C16 H30 Br4 Mn2 N4 O4 S4 -","- C16 H30 Br4 Mn2 N4 O4 S4 -","- C32 H60 Br8 Mn4 N8 O8 S8 -","2","0.5","","Kwang Ha","Crystal structure of (?2-2,2'-bipyrimidine)-tetrabromo-tetrakis(dimethyl sulfoxide-?O)dimanganese(II), Mn2Br4(C8H6N4)(C2H6SO)4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","505","","","","","0.71073","MoKα","","0.105","0.043","","","0.0746","0.1045","","","","","","1","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103206","8.499","0.002","12.759","0.003","13.122","0.004","96.316","0.004","98.315","0.004","109.229","0.004","1310.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 N6 Ni O10 S2 -","- C19 H26 N6 Ni O10 S2 -","- C38 H52 N12 Ni2 O20 S4 -","2","1","","Yonghua Zhang; Ping Liu; Zhiling Feng; Xiaojing Sun","Crystal structure of triaquatriimidazolenickel(II) naphthalene-2,6-disulfonate monohydrate, [Co(C3H4N2)3(H2O)3][C10H6S2O6] • H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","513","","","","","0.71073","MoKα","","0.0319","0.0285","","","0.0751","0.078","","","","","","1.026","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103207","9.7883","0.0012","12.927","0.008","13.9108","0.0015","87.23","0.02","80.599","0.01","70.19","0.03","1633.7","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","aqua-bis(2,2'-bipyridine) (9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonato)manganese(II) monohydrate","","- C34 H26 Mn N4 O10 S2 -","- C34 H26 Mn N4 O10 S2 -","- C68 H52 Mn2 N8 O20 S4 -","2","1","","Ning Zhao; Hong-Ling Li; Hui-Juan Han","Crystal structure of aquabis(2,2'-bipyridyl-N,N')(9,10-dioxoanthracene-2,6-disulfonato)manganese(II) — water (1:1), [Mn(H2O)(C10H8N2)2][C14H6S2O8] • H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","550","","","","","1.54178","CuKα","","0.0697","0.0583","","","0.1682","0.184","","","","","","1.384","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103208","15.2","0.005","19.496","0.007","12.008","0.003","90","","111.212","0.01","90","","3317.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Co N3 O8 -","- C36 H41 Co N3 O8 -","- C144 H164 Co4 N12 O32 -","4","1","","Hong-Ye Bai; Jian-Fang Ma","Crystal structure of diaqua(biphenylethene-4,4'-dicarboxylato-?O)-(1,12,15-triaza-3,4:9,10-dibenzo- 5,8-dioxacycloheptadecane-?3N,N',N'')cobalt(II), [Co(H2O)2(C20H27N3O2)][(C16H10O4)]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","559","","","","","0.71069","MoKα","","0.0937","0.0495","","","0.0904","0.1031","","","","","","1.036","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103209","12.288","0.0009","25.0429","0.0018","13.1937","0.0009","90","","102.469","0.001","90","","3964.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H39 Ir N2 O4 -","- C49 H39 Ir N2 O4 -","- C196 H156 Ir4 N8 O16 -","4","0.5","","Chen Xu; Xin-Ming Dong; Xin-Qi Hao; Mao-Ping Song","Crystal structure of dibenzoylmethane-?2O,O'-bis[2-(2-naphthyl)-3-methoxy-6-methylpyridine-?2C2,N]iridium(III), Ir(C34H28N2O2)2(C15H11O2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","593","","","","","0.71073","MoKα","","0.0246","0.0222","","","0.056","0.0574","","","","","","1.055","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103210","10.267","0.002","12.421","0.004","30.146","0.009","90","","97.082","0.01","90","","3815.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 N3 Ni O9 -","- C38 H47 N3 Ni O9 -","- C152 H188 N12 Ni4 O36 -","4","1","","Bai, Hong-Ye; Ma, Jian-Fang","Crystal structure of diaqua-cinnamate-κO-(1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacycloheptadecane-κ^3^N,N',N'')nickel(II) cinnamate hydrate, [Ni(H2O)2(C9H7O2)(C20H27N3O2)](C9H7O2) · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","561","","10.1524/ncrs.2011.0250","","","0.71073","MoKα","","0.0948","0.0553","","","0.123","0.1427","","","","","","1.052","","","","has coordinates","275105","2022-05-06","14:39:56",""
"8103211","15.193","0.003","19.503","0.004","11.983","0.003","90","","111.088","0.009","90","","3312.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N3 Ni O8 -","- C36 H41 N3 Ni O8 -","- C144 H164 N12 Ni4 O32 -","4","1","","Hong-Ye Bai; Jian-Fang Ma","Crystal structure of diaqua(biphenylethene-4,4'-dicarboxylato-?O)-(1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacycloheptadecane-?3N,N',N'')nickel(II), Ni(H2O)2(C16H10O4)(C20H27N3O2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","563","","","","","0.71069","MoKα","","0.0903","0.0473","","","0.088","0.1004","","","","","","1.033","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103212","5.157","0.001","22.85","0.005","10.786","0.002","90","","98.59","0.03","90","","1256.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl N2 O4 -","- C12 H11 Cl N2 O4 -","- C48 H44 Cl4 N8 O16 -","4","1","","Liang Xu; Yan-Yun Yang; Bing Wang; Ting-Guo Kang; Hui Li","Crystal structure of 5-((4-chloropyridin-3-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, C12H11ClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","469","","","","","0.71073","MoKα","","0.0937","0.0635","","","0.1527","0.1828","","","","","","1.012","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103213","8.6205","0.0017","20.782","0.004","8.6668","0.0017","90","","102.24","0.03","90","","1517.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cd N10 O6 -","- C28 H28 Cd N10 O6 -","- C56 H56 Cd2 N20 O12 -","2","0.5","","Fu-An Li; Wei-Chun Yang; Xiao-Ming Hu","Crystal structure of bisnitrate-bis(1-(4-((1H-imidazol-1-yl)methyl)benzyl)-1H-imidazole)cadmium(II), [Cd(NO3)2(C14H14N4)2]n","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","587","","","","","0.71073","MoKα","","0.0856","0.0675","","","0.1685","0.1831","","","","","","1.086","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103214","13.09","0.0009","14.863","0.0007","14.061","","90","0.005","97.92","","90","","2709.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[3-(6-(pyridin-3-yl)-4-p-tolylpyridin-2-yl) pyridine]-[5-hydroxybenzene-1,3-diato acid] zinc(II),Zn(C22H17N3)(C8H6O5)^.^2H2O","","- C30 H25 N3 O7 Zn -","- C30 H24 N3 O7 Zn -","- C120 H96 N12 O28 Zn4 -","4","1","","Ting-Ting Zhang; Jian-Fang Ma","Crystal structure of bis{[4'-(4-tolyl)-2,2':6'2''-terpyridine-?3N,N',N']-[?-5-hydroxybenzene-1,3-dicarboxylate-?2O,O']zinc(II)} tetrahydrate, [Zn(C22H17N3)(C8H6O5)]2 • 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","581","","","","","0.71073","MoKα","","0.1352","0.0671","","","0.1534","0.1902","","","","","","1.035","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103215","24.1193","0.0011","10.9032","0.0005","18.2018","0.0008","90","","123.901","0.001","90","","3972.9","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^N,N')manganese(II) diiodide pentahydrate","","- C36 H34 I2 Mn N6 O5 -","- C36 H24 I2 Mn N6 O5 -","- C144 H96 I8 Mn4 N24 O20 -","4","0.5","","Kwang Ha","Crystal structure of tris(1,10-phenanthroline-?2N,N')manganese(II) diiodide — water (1:5), [Mn(C12H8N2)3]I2 • 5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","575","","","","","0.71073","MoKα","","0.0968","0.063","","","0.169","0.1978","","","","","","1.08","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103216","6.5863","0.0005","7.3144","0.0006","10.724","0.0009","72.185","0.002","87.846","0.002","74.661","0.002","473.8","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(3-phenylpyridine-κ<i>N</i>)palladium(II)","","- C22 H18 Cl2 N2 Pd -","- C22 H18 Cl2 N2 Pd -","- C22 H18 Cl2 N2 Pd -","1","0.5","","Kwang Ha","Crystal structure of dichlorobis(3-phenylpyridine-?N)palladium(II), PdCl2(C11H9N)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","507","","","","","0.71073","MoKα","","0.0666","0.0486","","","0.0887","0.1011","","","","","","1.035","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103217","7.7491","0.0004","12.9943","0.0007","15.3876","0.0008","90","","100.613","0.001","90","","1522.94","0.14","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dibromobis(2-pyridinealdoxime-κ^2^N,N')manganese(II)","","- C12 H12 Br2 Mn N4 O2 -","- C12 H12 Br2 Mn N4 O2 -","- C48 H48 Br8 Mn4 N16 O8 -","4","0.5","","Kwang Ha","Crystal structure of dibromobis(2-pyridinealdoxime-?2N,N')manganese(II), MnBr2(C6H6N2O)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","523","","","","","0.71073","MoKα","","0.0401","0.0246","","","0.0498","0.0605","","","","","","1.079","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103218","9.4199","0.0005","23.6869","0.0013","8.8435","0.0005","90","","101.257","0.001","90","","1935.27","0.18","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorobis(4-phenylpyridine-κ<i>N</i>)platinum(II) monohydrate","","- C22 H20 Cl2 N2 O Pt -","- C22 H20 Cl2 N2 O Pt -","- C88 H80 Cl8 N8 O4 Pt4 -","4","0.5","","Kwang Ha","Crystal structure of dichlorobis(4-phenylpyridine-?N)platinum(II) — water (1:1), PtCl2(C11H9N)2 • H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","577","","","","","0.71073","MoKα","","0.0355","0.0264","","","0.0676","0.072","","","","","","1.124","","","","has coordinates,has disorder","200426","2020-10-21","18:00:00",""
"8103219","13.6758","0.0007","13.6758","0.0007","29.22","0.003","90","","90","","90","","5464.9","0.7","200","2","200","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(2,3,5,6-tetra-2-pyridylpyrazine)manganese(II) bis(triiodide)","","- C48 H32 I6 Mn N12 -","- C48 H32 I6 Mn N12 -","- C192 H128 I24 Mn4 N48 -","4","0.25","","Kwang Ha","Crystal structure of bis(2,3,5,6-tetra-2-pyridylpyrazine)manganese(II) bis(triiodide), [Mn(C24H16N6)2](I3)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","509","","","","","0.71073","MoKα","","0.1041","0.067","","","0.1718","0.1981","","","","","","1.056","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103220","6.1726","0.0007","15.9478","0.0018","9.1145","0.001","90","","100.506","0.002","90","","882.18","0.17","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro(2-pyridinealdoxime-κ^2^N,N')palladium(II)","","- C6 H6 Cl2 N2 O Pd -","- C6 H6 Cl2 N2 O Pd -","- C24 H24 Cl8 N8 O4 Pd4 -","4","1","","Kwang Ha","Crystal structure of dichloro(2-pyridinealdoxime-?2N,N')palladium(II), PdCl2(C6H6N2O)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","525","","","","","0.71073","MoKα","","0.0758","0.0374","","","0.0752","0.0987","","","","","","1.014","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103221","9.0991","0.001","14.1665","0.0013","13.1918","0.0015","90","","101.035","0.009","90","","1669","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Hg N4 O2 S2 -","- C14 H12 Hg N4 O2 S2 -","- C56 H48 Hg4 N16 O8 S8 -","4","1","","Majid Esmhosseini; Nasser Safari; Vahid Amani","Crystal structure of [hydroxy-methoxy-di(2-pyridyl)-methane-?2N,N'](?2-thiocyanato-N:S)(thiocyanato-?S)mercury(II), Hg(C12H12N2O2)(SCN)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","541","","","","","0.71073","MoKα","","0.0469","0.0375","","","0.0779","0.0811","","","","","","1.165","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103222","7.207","0.002","12.087","0.007","12.213","0.004","103.01","0.04","90.08","0.03","102.2","0.03","1011.8","0.8","290","2","290","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 Cl N4 O5 -","- C22 H19 Cl N4 O5 -","- C44 H38 Cl2 N8 O10 -","2","1","","Wenhai Wang; Lingxin Chen","Crystal structure of 2,6-bis[(imidazol-1-yl)methyl]-4-chlorophenol — terephthalic acid (1:1), C14H13ClN4O • C8H6O4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","531","","","","","0.71073","MoKα","","0.0946","0.0436","","","0.0983","0.113","","","","","","0.981","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103223","19.364","0.003","16.814","0.002","8.1486","0.0009","90","","90","","90","","2653.1","0.6","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C11 H14 Br2 N2 O -","- C11 H14 Br2 N2 O -","- C88 H112 Br16 N16 O8 -","8","0.5","","Zhi-Fang Zhang","Crystal structure of 1,1'-methylenedipyridinium dibromide monohydrate, (C11H12N2)Br2 • H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","553","","","","","0.71073","MoKα","","0.0302","0.0246","","","0.0587","0.0606","","","","","","1.069","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103224","15.01","0.005","7.825","0.003","20.903","0.005","90","","133.198","0.014","90","","1789.8","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(μ^^6^-p-Cymene)RuCl~2~(DMAP)](DMAP = N,N-Dimethylpyridin-4-amine)","","- C17 H24 Cl2 N2 Ru -","- C17 H24 Cl2 N2 Ru -","- C68 H96 Cl8 N8 Ru4 -","4","1","","Kuan-Guan Liu; Xian-Chuan Li; Xiao-Qing Cai; Mao-Lin Hu","Crystal structure of dichloro(N,N-dimethylpyridin-4-amine)-(μ^6^-p-cymene) ruthenium(II), RuCl2(C~7~H~10~N~2~)(C~10~H~14~)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","533","","","","","0.71073","MoKα","","0.0664","0.0591","","","0.1098","0.1125","","","","","","1.343","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103225","9.449","0.0006","10.4294","0.0007","13.7591","0.001","72.754","0.002","79.541","0.002","82.421","0.002","1269.04","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Di(μ~2~-bromo)-dibromobis(2,3,5,6-tetra-2-pyridylpyrazine)dimanganese(II) - nitromethane (1:2)","","- C50 H38 Br4 Mn2 N14 O4 -","- C50 H32 Br4 Mn2 N14 O4 -","- C50 H32 Br4 Mn2 N14 O4 -","1","0.5","","Kwang Ha","Crystal structure of di(?2-bromo)-dibromo-bis(2,3,5,6-tetra-2-pyridylpyrazine)dimanganese(II) — nitromethane (1:2), [MnBr2(C24H16N6)]2 • 2CH3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","518","","","","","0.71073","MoKα","","0.0966","0.0531","","","0.1034","0.1327","","","","","","1.03","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103226","10.8451","0.0019","12.773","0.002","10.8527","0.0017","90","","96.688","0.002","90","","1493.1","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H12 Cl2 N2 O3 -","- C15 H12 Cl2 N2 O3 -","- C60 H48 Cl8 N8 O12 -","4","1","","Zhe Hong; Xiao-Xu Xu; Yan Yu; Peng Liang","Crystal structure of 2-methoxy-N'-(3,5-dichloro-2-hydroxybenzylidene)benzohydrazide, C15H12Cl2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","599","","","","","0.71073","MoKα","","0.055","0.0408","","","0.0756","0.0814","","","","","","0.993","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103227","3.8818","0.0005","5.6515","0.0007","15.2037","0.0019","90","","93.176","0.001","90","","333.03","0.07","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-chloro-2-hydroxybenzaldehyde","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Shouwen Jin; Feng Lin; Yuanqi Yu; Haidong He","Crystal structure of 5-chloro-2-hydroxybenzaldehyde, C7H5ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","601","","","","","0.71073","MoKα","","0.067","0.0496","","","0.1216","0.131","","","","","","1.072","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103228","6.7187","0.0012","7.5251","0.0014","8.1056","0.0014","95.192","0.002","100.502","0.003","100.555","0.003","392.86","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C14 H22 N6 O2 -","2","1","","Yu-Mei Chen; Zhao-Po Zhang; Xue-Yong Huang; Xiang-Nan Li; Yuan Wang","Crystal structure of 3,4-dimethyl-1H-pyrrole-2-carbohydrazide, C7H11N3O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","529","","","","","0.71073","MoKα","","0.0721","0.0641","","","0.189","0.1972","","","","","","1.077","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103229","16.196","0.003","8.2564","0.001","16.173","0.003","90","","111.754","0.013","90","","2008.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2Z,5Z)-3-allyl-5-(4-(methylthio)benzylidene)-2- (p-tolylimino)thiazolidin-4-one","","- C21 H20 N2 O S2 -","- C21 H20 N2 O S2 -","- C84 H80 N8 O4 S8 -","4","1","","Manouchehr Mamaghani; Maryam Saffari Joshari; Khalil Tabatabaeian; Farhad Shirini; Hamid Reza Khavasi","Crystal structure of (2Z,5Z)-3-allyl-5-(4-(methylthio)-benzylidene)-2-(p-tolylimino)thiazolidin-4-one, C21H20N2OS2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","618","","","","","0.71073","MoKα","","0.1903","0.0842","","","0.1636","0.2041","","","","","","1.038","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103230","14.6136","0.0004","12.5955","0.0005","19.9486","0.0007","90","","90","","90","","3671.9","0.2","233","2","233","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H21 F3 N2 O3 S Si2 -","- C10 H21 F3 N2 O3 S Si2 -","- C80 H168 F24 N16 O24 S8 Si16 -","8","1","","Carmen Froschauer; Klaus Wurst; Gerhard Laus; Herwig Schottenberger","Crystal structure of 1,3-bis(trimethylsilyl)imidazolium trifluoromethanesulfonate, (C9H21N2Si2)(CF3SO3)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","545","","","","","0.71073","MoKα","","0.0698","0.0499","","","0.1028","0.1095","","","","","","1.048","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103231","10.672","0.007","15.74","0.01","16.709","0.01","78.803","0.008","85.771","0.009","81.857","0.009","2722","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H90 Cl10 Fe4 O10 P6 -","- C110 H90 Cl10 Fe4 O10 P6 -","- C110 H90 Cl10 Fe4 O10 P6 -","1","0.5","","Zhi-Fang Zhang","Crystal structure of (?-oxalato)bis[chlorotris(triphenylphosphine oxide-O)iron(III)] tetrachloroferrate(III), [FeCl(C18H15PO)3][C2O4][FeCl4]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","486","","","","","0.71073","MoKα","","0.0957","0.0546","","","0.1245","0.1479","","","","","","1.026","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103232","4.9525","0.0009","13.859","0.002","15.799","0.003","90","","98.011","0.002","90","","1073.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Cl N4 O S -","- C7 H11 Cl N4 O S -","- C28 H44 Cl4 N16 O4 S4 -","4","1","","Ning Ma; Ye Wang; Bao-Ming Ji","Crystal structure of pyridine-2-carbaldehyde thiosemicarbazonium chloride hydrate, [C7H9N4S]Cl • H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","463","","","","","0.71073","MoKα","","0.0665","0.0375","","","0.0822","0.0958","","","","","","1.009","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103233","7.712","0.002","21.437","0.005","8.541","0.002","90","","113.138","0.003","90","","1298.4","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br Cl2 N O -","- C13 H8 Br Cl2 N O -","- C52 H32 Br4 Cl8 N4 O4 -","4","1","","Xin-Li Zhang","Crystal structure of 2-bromo-4-chloro-6-[(4-chloro-phenylimino)methyl]phenol, C13H8BrCl2NO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","567","","","","","0.71073","MoKα","","0.0536","0.0365","","","0.0732","0.0791","","","","","","0.999","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103234","6.785","0.0005","9.964","0.0007","13.426","0.0009","89.123","0.003","79.952","0.003","89.816","0.003","893.65","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","3-(4-Bromobenzoyl)-1,1-diphenylthiourea","3-(4-Bromobenzoyl)-1,1-diphenylthiourea","","- C20 H15 Br N2 O S -","- C20 H15 Br N2 O S -","- C40 H30 Br2 N4 O2 S2 -","2","1","","Richard Betz; Thomas Gerber; Bonell Schmitt","Crystal structure of 3-(4-bromobenzoyl)-1,1-diphenylthiourea, C20H15BrN2OS","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","535","","","","","0.71069","MoKα","","0.0555","0.0486","","","0.1412","0.1514","","","","","","1.042","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103235","4.7452","0.0017","6.412","0.003","24.781","0.008","90","","90","","90","","754","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Nitrobenzyl chloride","1-Chloromethyl-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Richard Betz; Michael Britten-Kelly; Cedric McCleland; Eric Hosten","Refinement of the crystal structure of 1-chloro-methylnitrobenzene, C7H6ClNO2, at 200 K","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","583","","","","","0.71073","MoKα","","0.0366","0.0347","","","0.0886","0.0898","","","","","","1.076","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103236","9.72","0.0011","11.6077","0.0014","12.7189","0.0015","68.273","0.001","72.623","0.001","81.361","0.001","1271","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H10 Cu F8 N2 O8 -","- C26 H10 Cu F8 N2 O8 -","- C52 H20 Cu2 F16 N4 O16 -","2","1","","Jun Zhang; Jing-Cheng Zhu; Kun Ying","Crystal structure of bis(tetrafluorophthlato-?O)(2,2'-bipyridine-?2N,N')copper(II), Cu(C8HF4O4)2(C10H8N2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","557","","","","","0.71073","MoKα","","0.041","0.0311","","","0.0771","0.0828","","","","","","1.046","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103237","25.342","0.002","9.1951","0.0008","13.9322","0.0012","90","","94.28","0.002","90","","3237.5","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Acridine(pyridine-2,6-dicarboxylato-κ^3^N,O,O')platinum(II)","","- C20 H12 N2 O4 Pt -","- C20 H12 N2 O4 Pt -","- C160 H96 N16 O32 Pt8 -","8","1","","Kwang Ha","Crystal structure of acridine(pyridine-2,6-dicarboxylato-?3N,O,O')platinum(II), Pt(C7H3NO4)(C13H9N)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","481","","","","","0.71073","MoKα","","0.0765","0.0347","","","0.064","0.0797","","","","","","0.951","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103238","8.7088","0.0012","11.4924","0.0016","11.8448","0.0017","65.594","0.002","70.588","0.002","73.989","0.002","1004.9","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cu N14 O14 S8 -","- C26 H20 Cu N14 O14 S8 -","- C26 H20 Cu N14 O14 S8 -","1","0.5","","Jian-Hua Qin; Ai-Qin Tian; Jian-Ge Wang; Pu-Zhou Hu","Crystal structure of catena-bis[2,2'-(1,3-propanedithio)-bis(1,3,4-thiadiazole)]bis(2,4,6-trinitrophenolate)copper(II), Cu(C7H8N4S4)2(C6H2N3O7)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","465","","","","","0.71073","MoKα","","0.0474","0.0377","","","0.0895","0.0957","","","","","","1.05","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103239","23.767","0.003","9.1021","0.0012","19.558","0.003","90","","113.365","0.002","90","","3884","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Cu2 N28 O30 S16 -","- C46 H32 Cu2 N28 O30 S16 -","- C92 H64 Cu4 N56 O60 S32 -","2","0.25","","Shi-Hui Li; Yong Li; Pu-Zhou Hu","Crystal structure of catena-bis[2,2'-(methylenedithio)-bis(1,3,4-thiadiazole)]bis(2,4,6-trinitrophenolate)copper(II) — methanol (1:1), Cu(C5H4S4N4)2(C6H2N3O7)2 • CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","467","","","","","0.71073","MoKα","","0.0697","0.0429","","","0.0961","0.1097","","","","","","1.023","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103240","7.1905","0.0007","8.8488","0.0008","9.3266","0.0009","66.22","0.001","89.155","0.001","70.513","0.001","506.98","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N4 Ni O12 -","- C14 H24 N4 Ni O13 -","- C14 H24 N4 Ni O13 -","1","0.5","","Gai Zhang; Ai-Jie Ma; Peng-Peng Lei; Jing-Jing Shang","Crystal structure of diaquabis(2-ethyl-1H-imidazole-4,5-dicarboxylate)nickel(II) trihydrate, [Ni(H2O)2(C7H7N2O4)2] • 3H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","649","","","","","0.71073","MoKα","","0.0353","0.0339","","","0.105","0.1069","","","","","","0.864","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103241","10.929","0.0016","15.328","0.002","25.553","0.004","90","","92.541","0.004","90","","4276.4","1.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,4,6-tri-2-pyridyl-1,3,5-triazine)manganese(II) bis(triiodide)","","- C36 H24 I6 Mn N12 -","- C36 H24 I6 Mn N12 -","- C144 H96 I24 Mn4 N48 -","4","1","","Kwang Ha","Crystal structure of bis(2,4,6-tri-2-pyridyl-1,3,5-triazine)manganese(II) bis(triiodide), [Mn(C18H12N6)2](I3)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","483","","","","","0.71073","MoKα","","0.1382","0.0468","","","0.0821","0.1134","","","","","","0.93","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103242","7.928","0.0016","16.358","0.003","9.506","0.0019","90","","106.44","0.03","90","","1182.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3,5-dimethyl-4-(prop-2-ynyl)-1H-pyrazol-1-yl](furan-2-yl)methanone","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Kairat Beketov; Svetlana Vizer; Kazbek Yerzhanov","Crystal structure of [3,5-dimethyl-4-(prop-2-ynyl)-1H-pyrazol-1-yl](2-furyl)methanone, C13H12N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","569","","","","","0.71073","MoKα","","0.1802","0.0641","","","0.159","0.2092","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103243","9.9298","0.0007","18.0293","0.0013","24.5124","0.0017","90","","90","","90","","4388.4","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N2 Ni O8 -","- C25 H18 N2 Ni O8 -","- C200 H144 N16 Ni8 O64 -","8","1","","Xiao-Dong Li; Kun Wang; Feng-Feng Guo","Crystal structure of catena-aqua(2,2'-bipyridine)-(3-(4-carboxyphenoxy)phthalato)nickel(II), Ni(H2O)(C10H8N2)(C15H8O7)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","573","","","","","0.71073","MoKα","","0.036","0.0263","","","0.0642","0.0691","","","","","","1.031","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103244","12.4409","0.0011","7.0747","0.0006","14.0718","0.0012","90","","90.609","0.001","90","","1238.47","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cu N8 O4 -","- C26 H22 Cu N8 O4 -","- C52 H44 Cu2 N16 O8 -","2","0.5","","Wei Yang; Yu-Heng Deng; Ye-Lan Xiao; Yong-Cheng Dai; Yuan-Yuan Zhang; Qiong-Hua Jin; Cun-Lin Zhang","Crystal structure of bis(benzoato-?O)bis(2,2'-biimidazole-?2N,N')copper(II), Cu(C6H6N4)2(C7H5O2)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","565","","","","","0.71073","MoKα","","0.0733","0.0587","","","0.1834","0.1912","","","","","","1.136","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103245","19.028","0.003","12.605","0.001","20.943","0.003","90","","114.91","0.02","90","","4555.8","1.3","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H50 N2 O4 -","- C59 H50 N2 O4 -","- C236 H200 N8 O16 -","4","1","","Eric Brenner; Dominique Matt; Loïc Toupet","Crystal structure of 5-(imidazol-1-yl)-25,26,27,28-tetrabenzyloxy-calix[4]arene (cone), C59H50N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","450","","","","","0.71073","MoKα","","0.2828","0.043","","","0.0529","0.0846","","","","","","0.584","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103246","9.8813","0.0008","10.0739","0.0009","13.6497","0.0012","95.654","0.001","107.957","0.002","113.16","0.001","1150.25","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Br2 Cu2 N8 P2 -","- C46 H46 Br2 Cu2 N8 P2 -","- C46 H46 Br2 Cu2 N8 P2 -","1","0.5","","Man-Hua Wu; Rong Wang; Zhong-Feng Li; Ye-Lan Xiao; Qiong-Hua Jin; Cun-Lin Zhang","Crystal structure of bis[(triphenylphospine-?P)(3-amino-5,6-dimethyl-1,2,4-triazine-?N2)(?-bromo)copper(I)], [CuBr(C5H8N4)(PC18H15)]2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","555","","","","","0.71073","MoKα","","0.0607","0.0342","","","0.0708","0.0825","","","","","","1.008","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103247","15.449","0.003","16.714","0.003","16.714","0.003","90","","90","","90","","4315.8","1.4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[(Tris(1-pyrazolylethyl)-amine-<i>N</i>,<i>N'</i>,<i>N''</i>, <i>N'''</i>)-argentum^I^] hexafluorophosphate","","- C15 H21 Ag F6 N7 P -","- C15 H21 Ag F6 N7 P -","- C120 H168 Ag8 F48 N56 P8 -","8","1","","Zhong-Hai Ni; Guo-Ling Li; Jing Nie","Crystal structure of (tris(1-pyrazolylethyl)amine-?4N,N',N'',N''')silver(I)] hexafluorophosphate, [Ag(C15H21N7](PF6)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","579","","","","","0.71073","MoKα","","0.07","0.0688","","","0.199","0.1996","","","","","","1.239","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103248","17.3539","0.0004","4.02431","0.0001","12.3842","0.0003","90","","90","","90","","864.88","0.04","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H9 N3 O3 -","- C7 H9 N3 O3 -","- C28 H36 N12 O12 -","4","1","","Gerhard Laus; Volker Kahlenberg; Wolfgang Reischl; Herwig Schottenberger","Crystal structure of (E)-2-(1-methoxyimidazol-2-yl)-2-oxoacetaldehyde O-methyl oxime, C7H9N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","623","","","","","1.5418","CuKα","","0.0279","0.0274","","","0.0688","0.0693","","","","","","1.076","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103249","8.9671","0.0012","9.2622","0.0012","10.6485","0.0014","66.876","0.001","85.434","0.002","70.606","0.001","765.89","0.17","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cu N10 O14 S4 -","- C20 H14 Cu N10 O14 S4 -","- C20 H14 Cu N10 O14 S4 -","1","0.5","","Pu-Zhou Hu; Xiang-Dong Han","Crystal structure of catena-{2,2'-[ethylene-1,2-dithio]-bis(5-methyl-1,3,4-thiadiazole)}bis(2,4,6-trinitro- phenolate)copper(II), Cu(C8H10N4S4)(C6H2N3O7)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","459","","","","","0.71073","MoKα","","0.0339","0.0298","","","0.076","0.0794","","","","","","1.037","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103250","8.0209","0.0011","16.12","0.002","10.4796","0.0015","90","","90.903","0.001","90","","1354.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Co N10 O2 S4 -","- C18 H24 Co N10 O2 S4 -","- C36 H48 Co2 N20 O4 S8 -","2","0.5","","Qi-Ming Qiu; Yu-Heng Deng; Jing-Jing Sun; Wei Yang; Qiong-Hua Jin; Cun-Lin Zhang","Crystal structure of bis(biimidazole-?2N,N')-bis(isothiocyanato-?N)cobalt(II) — dimethylsulfoxide (1:2), Co(C6H6N4)2(NCS)2 • 2C2H6SO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","625","","","","","0.71073","MoKα","","0.0825","0.063","","","0.2002","0.2161","","","","","","1.196","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103251","8.518","0.003","9.978","0.004","10.444","0.004","108.853","0.004","98.761","0.004","103.085","0.004","793.4","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu N10 O14 S4 -","- C22 H18 Cu N10 O14 S4 -","- C22 H18 Cu N10 O14 S4 -","1","0.5","","Jian-Ge Wang; Hui-Ju Zhang; Pu-Zhou Hu","Crystal structure of catena-{2,2'-[butylene-1,4-dithio]-bis(5-methyl-1,3,4-thiadiazole)}bis(2,4,6-trinitro-phenolate)copper(II), Cu(C10H14S4N4)(C6H2N3O7)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","461","","","","","0.71073","MoKα","","0.0443","0.0313","","","0.0723","0.0807","","","","","","1.027","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103252","19.7179","0.0017","14.1074","0.0013","11.2581","0.001","90","","98.308","0.001","90","","3098.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 Ag2 O4 P2 -","- C32 H34 Ag2 O4 P2 -","- C128 H136 Ag8 O16 P8 -","4","0.5","","Li-Na Cui; Xin Zhao; Yu-Han Jiang; Zhong-Feng Li; Qiong-Hua Jin; Cun-Lin Zhang","Crystal structure of catena-{bis(?-acetato-O,O':O')-[?-bis(diphenylphosphino)butane-P,P']disilver(I)}, Ag2(C2H3O2)2(C28H28P2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","627","","","","","0.71073","MoKα","","0.067","0.0377","","","0.085","0.1087","","","","","","1.071","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103253","17.9261","0.0007","9.5904","0.0004","19.0663","0.0007","90","","95.694","0.001","90","","3261.7","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Cl2 O2 -","- C17 H18 Cl2 O2 -","- C136 H144 Cl16 O16 -","8","1","","Hong-Bo Mo; Yin-Chun Jiao","Crystal structure of 2,4-bis(4-chlorophenyl)-pentane-2,4-diol, C17H18Cl2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","589","","","","","0.71073","MoKα","","0.0496","0.0361","","","0.0927","0.1027","","","","","","1.045","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103254","16.133","0.002","17.828","0.002","10.2487","0.0014","90","","116.65","0.002","90","","2634.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 Cd O10 -","- C9 H16 Cd O10 -","- C72 H128 Cd8 O80 -","8","1","","Hui-Ju Zhang","Crystal structure of catena-triaqua(5-methoxyisophthalate)cadmium(II) — water (1:2), [Cd(C9H6O5)(H2O)3] • 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","629","","","","","0.71073","MoKα","","0.0466","0.0328","","","0.0887","0.096","","","","","","1.072","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103255","5.7327","0.0006","13.3469","0.0014","14.593","0.0015","90","","90","","90","","1116.6","0.2","200","2","200","2","","","","","","","commercial","4","P b c a","-P 2ac 2ab","61","2-picolyl-<i>N</i>-oxide","2-methyl-pyridine-<i>N</i>-oxide","","- C6 H7 N O -","- C6 H7 N O -","- C48 H56 N8 O8 -","8","1","","Richard Betz; Thomas Gerber; Henk Schalekamp","Crystal structure of 2-methyl-pyridine-N-oxide, C6H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","603","","","","","0.71073","MoKα","","0.0842","0.0596","","","0.1064","0.1218","","","","","","1.113","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103256","10.1635","0.0011","12.883","0.0015","14.0684","0.0017","90","","111.13","0.001","90","","1718.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((1-(1-adamantyl)ethyl)iminomethyl)-3-methoxyphenol","2-((1-(1-adamantyl)ethyl)iminomethyl)-3-methoxyphenol","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Xu-Dong Jin; Hai-Bo Wang; Chun-Hua Ge","Crystal structure of 2-methoxy-6-{[1-(1-adamantyl)ethyl]imino}methylphenol, C20H27NO2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","631","","","","","0.71073","MoKα","","0.1192","0.0456","","","0.0998","0.1365","","","","","","1.025","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103257","6.7195","0.0006","14.0139","0.0013","7.6712","0.0007","90","","114.863","0.002","90","","655.42","0.1","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tetrachloro(2,2'-dipyridylamine-κ^2^N,N')platinum(IV),","","- C10 H9 Cl4 N3 Pt -","- C10 H9 Cl4 N3 Pt -","- C20 H18 Cl8 N6 Pt2 -","2","0.5","","Kwang Ha","Crystal structure of tetrachloro(2,2'-dipyridylamine-?2N,N')platinum(IV), PtCl4(C10H9N3)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","633","","","","","0.71073","MoKα","","0.0392","0.0257","","","0.0455","0.052","","","","","","1.06","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103258","7.879","0.002","12.568","0.003","14.209","0.004","72.617","0.008","82.07","0.009","81.312","0.01","1320.9","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H14 Br2 Cl2 Cu N4 O6 -","- C26 H14 Br2 Cl2 Cu N4 O6 -","- C52 H28 Br4 Cl4 Cu2 N8 O12 -","2","1","","Xin-Li Zhang","Crystal structure of bis[2-bromo-4-chloro-6-[(3-nitro-phenylimino)methyl]phenol]copper(II), Cu(C13H7BrClN2O3)2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","635","","","","","0.71073","MoKα","","0.0581","0.0355","","","0.0666","0.0718","","","","","","1.002","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103259","10.5518","0.0004","12.2122","0.0005","13.6872","0.0005","100.414","0.001","94.248","0.001","90.322","0.001","1729.6","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Crystal structure of bis(<i>μ</i>~3~-Oxo)-Bis[<i>μ</i>~2~-benzofuran-2-carboxylato-<i>O</i>,\ <i>O</i>'] -Bis[<i>μ</i>~2~-benzofuran-2-carboxylato-<i>O</i>,<i>O</i>']-\ Octakis(<i>n</i>-butyl)-tetratin(IV)","","- C34 H46 O7 Sn2 -","- C34 H46 O7 Sn2 -","- C68 H92 O14 Sn4 -","2","1","","Chun-Ling Liu; Dong-Sheng Zhu","Crystal structure of bis[?2-benzofuran-2-carboxylato-O,O']-bis[?2-benzofuran-2-carboxylato-O]-octakis(n-butyl)-bis(?3-oxo)tetratin(IV), Sn4O2(C4H9)8(C9H5O3)4","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","642","","","","","0.71073","MoKα","","0.0264","0.0232","","","0.0617","0.0639","","","","","","0.999","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103260","14.805","0.0003","15.157","0.0004","12.313","0.0003","90","","90.206","0.001","90","","2763.01","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-(2-(2-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenyl)disulfanyl)phenyl) -1<i>H</i>-benzo[<i>d</i>]imidazole-<i>N</i>,<i>N'</i>-dionium sulfate tetrahydrate","","- C26 H28 N4 O8 S3 -","- C26 H28 N4 O8 S3 -","- C104 H112 N16 O32 S12 -","4","1","","Irvin Booysen; Thulani Hlela; Anna Soares; Thomas Gerber; Eric Hosten; Richard Betz","Refinement of the crystal structure of 2-{2-[2-(1H-benzo[d]imidazol-2-ylphenyl)disulfanyl]phenyl}-1H-benzo[d]imidazole-N,N'-diium sulfate tetrahydrate, [C26H20N4S2][SO4] • 4H2O, at 100 K","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","639","","","","","0.71069","MoKα","","0.0405","0.0368","","","0.0995","0.1023","","","","","","1.099","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103261","5.9023","0.0002","7.2617","0.0002","21.5387","0.0007","90","","90","","90","","923.16","0.05","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O2 -","- C6 H14 Cl N O2 -","- C24 H56 Cl4 N4 O8 -","4","1","","Richard Betz; Thomas Gerber; Henk Schalekamp; Eric Hosten","Refinement of the crystal structure of L-valinemethylester hydrochloride, C6H13NO2 • HCl, at 200 K","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","637","","","","","0.71073","MoKα","","0.0271","0.0262","","","0.0691","0.0699","","","","","","1.046","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103262","10.1872","0.001","9.8426","0.0008","10.7655","0.0011","90","","113.589","0.004","90","","989.24","0.16","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-cyclohexyl-1,3-oxazinan-2-one","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C40 H68 N4 O8 -","4","1","","Ana Miltojeviƒ; Niko Radulovic; Rastko D. Vukicevic; Srecko Trifunovic; Horst Borrmann","Crystal structure of 3-cyclohexyl-1,3-oxazinan-2-one, C10H17NO2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","651","","","","x-ray","0.71073","MoKα","","0.0672","0.0507","","","0.1328","0.1429","","","","","","0.955","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103263","22.54","0.002","22.54","0.002","22.54","0.002","90","","90","","90","","11451.5","1.8","298","2","298","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- H104 Mo2 N6 O122 W24 Zn -","- H104.16 Mo2 N6 O122 W24 Zn -","- H416.64 Mo8 N24 O488 W96 Zn4 -","4","0.0208333","","Hai-Xing Liu","Crystal structure of diammonium hexaaquazinc(II) bis[(?12-molybdato)-tetracosa(?2-oxo)-dodecaoxo-dodecatungsten] — ammonia — water (1:4:36), [NH4]2[Zn(H2O)6][(MoW12O40)2] • 4NH3 • 36H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","441","","","","","0.71073","MoKα","","0.0513","0.041","","","0.1147","0.1264","","","","","","1.314","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103264","13.482","0.005","10.407","0.003","8.913","0.003","90","","109.125","0.005","90","","1181.5","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cs Ga2 H4 Mn O14 P3 -","- Cs Ga2 H4 Mn O14 P3 -","- Cs4 Ga8 H16 Mn4 O56 P12 -","4","0.5","","You-Jun Di; Jun-Feng Wang","Crystal structure of caesium diaquamanganese(II) gallium phosphate, Cs[MnGa2(PO4)3(H2O)2]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","435","","","","","0.71073","MoKα","","0.018","0.0169","","","0.0468","0.0473","","","","","","1.028","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103265","4.9948","0.0007","4.9948","0.0007","17.548","0.004","90","","90","","90","","437.79","0.13","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","tetrastrontium dibismuthide oxide","","- Bi2 O Sr4 -","- Bi2 O Sr4 -","- Bi4 O2 Sr8 -","2","0.0625","","Michael Wied; Jürgen Nuss; Wolfgang Hönle; Hans Georg von Schnering","Crystal structures of tetrastrontium dibismuthide oxide, Sr4Bi2O, and tetrabarium dibismuthide oxide, Ba4Bi2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","437","","","","x-ray","0.71073","MoKα","","0.0949","0.0746","","","0.172","0.1963","","","","","","1.131","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103266","5.2662","0.0007","5.2662","0.0007","18.625","0.004","90","","90","","90","","516.52","0.15","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","tetrabarium dibismutide oxide","","- Ba4 Bi2 O -","- Ba4 Bi2 O -","- Ba8 Bi4 O2 -","2","0.0625","","Michael Wied; Jürgen Nuss; Wolfgang Hönle; Hans Georg von Schnering","Crystal structures of tetrastrontium dibismuthide oxide, Sr4Bi2O, and tetrabarium dibismuthide oxide, Ba4Bi2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","437","","","","x-ray","0.71073","MoKα","","0.0679","0.0426","","","0.1004","0.1092","","","","","","1.027","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103267","10.193","0.002","8.1675","0.0016","10.375","0.002","90","","90","","90","","863.7","0.3","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","","tri-ytterbium penta-stannide","","- Sn5 Yb3 -","- Sn5 Yb3 -","- Sn20 Yb12 -","4","0.25","","Ming-Hui Ge; John D. Corbett","Crystal structure of triytterbium pentastannide, Sn5Yb3","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","445","","","","","0.71073","MoKα","","0.0328","0.0321","","","0.0801","0.0805","","","","","","1.002","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103268","7.475","0.005","9.888","0.006","8.226","0.005","90","","106.013","0.008","90","","584.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rubidium Chromium Diphosphates","","- Cr O7 P2 Rb -","- Cr O7 P2 Rb -","- Cr4 O28 P8 Rb4 -","4","1","","Dan Zhao; Feifei Li","Crystal structure of rubidium chromium diphosphate, RbCrP2O7","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","443","","","","","0.71073","MoKα","","0.0446","0.0374","","","0.0863","0.0917","","","","","","1.114","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103269","4.0578","0.0001","10.3639","0.0003","6.9592","0.0002","90","","90","","90","","292.667","0.014","","","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca4 Ga8 Ni4 -","- Ca Ga2 Ni -","- Ca4 Ga8 Ni4 -","4","0.25","","Olga Sichevych; Yurii Prots; Walter Schnelle; Yuri Grin","Crystal structure of calcium nickel digallide, CaNiGa2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","439","","","","","0.71073","MoKα","","","0.032","","","","0.028","","","","","","1.188","","","","has coordinates","176466","2020-10-21","18:00:00",""
"9014014","15.8675","","15.8675","","7.1135","","90","","90","","120","","1551.07","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.167 B3 Ca0.441 F0.681 Fe0.027 H3.318 Li1.278 Mn0.531 Na0.471 O30.318 Pb0.025 Si6 -","- Al21.501 B9 Ca1.323 F2.043 Fe0.081 H9 Li3.834 Mn1.593 Na1.413 O90.954 Pb0.075 Si18 -","- Al21.501 B9 Ca1.323 F2.043 Fe0.081 H9 Li3.834 Mn1.593 Na1.413 O90.954 Pb0.075 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L11, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014041","23.801","","5.9238","","4.8479","","90","","90","","90","","683.517","","","","","","","","","","","","Synthetic","2","C m c 21","C 2c -2","36","","","","- Ni7 P7 -","- Ni28 P28 -","- Ni28 P28 -","","","","Dera, P.; Lazarz, J. D.; Lavina, B.","Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 5.79 GPa","Journal of Solid State Chemistry","2011","184","","1997","2003","10.1016/j.jssc.2011.05.050","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014045","11.5136","","11.5136","","11.5136","","90","","90","","90","","1526.28","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 823.1 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014051","15.8307","","15.8307","","7.1013","","90","","90","","120","","1541.23","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.287 B3 Ca0.685 F0.685 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003 -","- Al21.861 B9 Ca2.055 F2.055 Fe0.18 H9 Li4.851 Mn0.108 Na0.735 O90.945 Pb0.03 Si18 Ti0.009 -","- Al21.861 B9 Ca2.055 F2.055 Fe0.18 H9 Li4.851 Mn0.108 Na0.735 O90.945 Pb0.03 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L16, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014071","3.09646","","3.09646","","15.627","","90","","90","","120","","129.759","","","","","","","","","","","","Barberton, South Africa","5","P 63/m m c","-P 6c 2c","194","","","Barbertonite","- C0.097 H3.224 Cr0.19 Mg0.81 O2.903 -","- C0.097 H3.224 Cr0.19 Mg0.81 O2.903 -","- C0.194 H6.448 Cr0.38 Mg1.62 O5.806 -","2","0.0833333","","Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A.","The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: Sample 92459, 2H1 polytype of stichtite","American Mineralogist","2011","96","","179","187","10.2138/am.2011.3531","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9014078","13.9163","","17.2422","","6.1125","","90","","98.255","","90","","1451.48","","","","","","","","","","","","Pensylvanian slates belonging to Los Jejenes Formation at the","5","P 1 21/n 1","-P 2yn","14","","","Sanjuanite","- Al2 H19 O18 P S -","- Al2 H19 O18 P S -","- Al8 H76 O72 P4 S4 -","4","1","","Colombo, F.; Rius, J.; Pannunzio-Miner E V; Pedregosa, J. C.; Cami, G. E.; Carbonio, R. E.","Sanjuanite: Ab Initio crystal-structure solution from laboratory powder-diffraction data, complemented by FTIR spectroscopy and DT-TG analyses Pocito Department, San Juan Province, Argentina","The Canadian Mineralogist","2011","49","","835","847","10.3749/canmin.49.3.835","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014091","22.01","","22.01","","9.238","","90","","90","","120","","3875.69","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","6","R -3 :H","-R 3","148","","","Cossaite","- Al6 F6 H72 Mg0.5 O64 S7 -","- Al6 F6 H72 Mg0.5 O64 S7 -","- Al18 F18 H216 Mg1.5 O192 S21 -","3","0.166667","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Castellano, C.","Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy Note: H atom in HSO4 group was not located","Mineralogical Magazine","2011","75","","2847","2855","10.1180/minmag.2011.075.6.2847","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014094","15.8548","","15.8548","","7.1099","","90","","90","","120","","1547.8","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.173 B3 Ca0.517 F0.589 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003 -","- Al21.519 B9 Ca1.551 F1.767 Fe0.27 H9 Li4.185 Mg0.306 Mn0.702 Na1.158 O91.233 Pb0.063 Si18 Ti0.009 -","- Al21.519 B9 Ca1.551 F1.767 Fe0.27 H9 Li4.185 Mg0.306 Mn0.702 Na1.158 O91.233 Pb0.063 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L4, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014097","11.4508","","11.4508","","11.4508","","90","","90","","90","","1501.44","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 223.3 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014129","11.9236","","5.1736","","12.1958","","90","","117.548","","90","","667.037","","","","","","","","","","","","Calingasta, San Juan Province, Argentina","4","C 1 2/c 1","-C 2yc","15","","","Cranswickite","- H8 Mg O8 S -","- Mg O8 S -","- Mg4 O32 S4 -","4","0.5","","Peterson, R. C.","Cranswickite MgSO4*4H2O, a new mineral from Calingasta, Argentina","American Mineralogist","2011","96","","869","877","10.2138/am.2011.3673","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014142","15.8363","","15.8363","","7.104","","90","","90","","120","","1542.91","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.224 B3 Ca0.636 F0.708 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003 -","- Al21.672 B9 Ca1.908 F2.124 Fe0.135 H9 Li4.779 Mg0.009 Mn0.405 Na0.846 O90.873 Pb0.06 Si18 Ti0.009 -","- Al21.672 B9 Ca1.908 F2.124 Fe0.135 H9 Li4.779 Mg0.009 Mn0.405 Na0.846 O90.873 Pb0.06 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L7, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014149","8.7802","","13.9903","","8.863","","90","","104.524","","90","","1053.92","","","","","","","","","","","","Jachymov, Czech Republic","5","C 1 2/m 1","-C 2y","12","","","Zippeite","- H5.08 K0.92 O12 S U2 -","- H5.08 K0.92 O12 S U2 -","- H20.32 K3.68 O48 S4 U8 -","4","0.5","","Plasil, J.; Mills, S. J.; Fejfarova, K.; Dusek, M.; Novak, M.; Skoda, R.; Cejka, J.; Sejkora, J.","The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4, from Jachymov, Czech Republic","The Canadian Mineralogist","2011","49","","1089","1103","10.3749/canmin.49.4.1089","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9014153","6.6994","","5.4269","","3.5534","","90","","93.048","","90","","129.008","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","Parasibirksite","- B Ca H O3 -","- B2 Ca2 H2 O6 -","- B2 Ca2 H2 O6 -","","","","Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.","Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K","The Canadian Mineralogist","2011","49","","823","834","10.3749/canmin.49.3.823","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014158","11.9204","","11.9204","","11.9204","","90","","90","","90","","1693.84","","","","","","","","","","","","Saranovskiy mine, Sarany, Ural Mountains, Russia","6","I a -3 d","-I 4bd 2c 3","230","","","Uvarovite","- Al0.82 Ca3 Cr1.15 O12 Si3 Ti0.03 -","- Al6.56 Ca24 Cr9.2 O96 Si24 Ti0.24 -","- Al6.56 Ca24 Cr9.2 O96 Si24 Ti0.24 -","","","","Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V.","The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R060477","American Mineralogist","2011","96","","1278","1290","10.2138/am.2011.3690","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014168","15.8368","","15.8368","","7.1014","","90","","90","","120","","1542.44","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.194 B3 Ca0.66 F0.432 Fe0.093 H3.567 Li1.647 Mn0.051 Na0.272 O30.567 Pb0.005 Si6 Ti0.009 -","- Al21.582 B9 Ca1.98 F1.296 Fe0.279 H9 Li4.941 Mn0.153 Na0.816 O91.701 Pb0.015 Si18 Ti0.027 -","- Al21.582 B9 Ca1.98 F1.296 Fe0.279 H9 Li4.941 Mn0.153 Na0.816 O91.701 Pb0.015 Si18 Ti0.027 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L26, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014173","14.6464","","11.0786","","5.691","","90","","90","","90","","923.431","","","","","","","","","","","","Jachymov, Czech Republic","4","P n m a","-P 2ac 2n","62","","","Behounekite","- H8 O12 S2 U -","- H8 O12 S2 U -","- H32 O48 S8 U4 -","4","0.5","","Plasil, J.; Fejfarova, K.; Novak, M.; Dusek, M.; Skoda, R.; Hlousek, J.; Cejka, J.; Majzlan, J.; Sejkora, J.; Machovic, V.; Talla, D.","Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic: the first natural U4+ sulphate","Mineralogical Magazine","2011","75","","2739","2753","10.1180/minmag.2011.075.6.2739","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014178","5.805","","5.856","","17.338","","94.97","","88.45","","89.94","","586.955","","","","","","","","","","","","San Jose, Bolivia","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Franckeite","- Fe0.43 Pb2.01 S6 Sn2.56 -","- Fe0.86 Pb4.02 S12 Sn5.12 -","- Fe0.86 Pb4.02 S12 Sn5.12 -","","","","Makovicky, E.; Petricek, V.; Dusek, M.; Topa, D.","The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9","American Mineralogist","2011","96","","1686","1702","10.2138/am.2011.3814","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014189","11.4548","","11.4548","","11.4548","","90","","90","","90","","1503.01","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 273.6 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014190","10.4396","","10.4396","","10.4396","","90","","90","","90","","1137.76","","","","","","","","","","","","Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Fluornatromicrolite","- As0.04 Ca0.88 F0.73 H0.24 Na0.88 Nb0.14 O6 Pb0.02 Si0.12 Ta1.7 -","- As0.32 Ca7.04 F5.84 Na7.04 Nb1.12 O48 Pb0.16 Si0.96 Ta13.6 -","- As0.32 Ca7.04 F5.84 Na7.04 Nb1.12 O48 Pb0.16 Si0.96 Ta13.6 -","","","","Andrade, M. B.; Atencio, D.; Menezes, L. A. D.; Ellena, J.","The crystal structure of a microlite-group mineral with a formula near NaCaTa2O6F from the Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil","The Canadian Mineralogist","2011","49","","615","621","10.3749/canmin.49.2.615","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014191","11.4592","","11.4592","","11.4592","","90","","90","","90","","1504.74","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 322.8 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014210","7.85","","7.85","","7.85","","90","","90","","90","","483.737","","","","","","","","","","","","Mina Grande, Chile","6","P -4 3 m","P -4 2 3","215","","","Bariopharmacoalumite","- Al2.32 As3 Ba0.51 Fe1.68 H4 O18 -","- Al2.32 As3 Ba0.51 Fe1.68 H4 O18 -","- Al2.32 As3 Ba0.51 Fe1.68 H4 O18 -","","","","Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M.","Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile","Mineralogical Magazine","2011","75","","135","144","10.1180/minmag.2011.075.1.135","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014221","15.8404","","15.8404","","7.1039","","90","","90","","120","","1543.69","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.203 B3 Ca0.63 F0.691 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012 -","- Al21.609 B9 Ca1.89 F2.073 Fe0.369 H9 Li4.572 Mg0.207 Mn0.207 Na1.014 O90.927 Pb0.021 Si18 Ti0.036 -","- Al21.609 B9 Ca1.89 F2.073 Fe0.369 H9 Li4.572 Mg0.207 Mn0.207 Na1.014 O90.927 Pb0.021 Si18 Ti0.036 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L28, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014235","2.843","","9.7","","12.29","","90","","90","","90","","338.923","","","","","","","","","","","","Synthetic","2","C m c m","-C 2c 2","63","","","","- Fe4 O5 -","- Fe16 O20 -","- Fe16 O20 -","","","","Lavina, B.; Dera, P.; Kim, E.; Meng, Y.; Downs, R. T.; Weck, P. F.; Sutton, S. R.; Zhao, Y.","Discovery of the recoverable high-pressure iron oxide Fe4O5 Note: P = 10 GPa","Proceedings of the National Academy of Sciences","2011","108","","17281","17284","10.1073/pnas.1107573108","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014258","7.386","","7.716","","11.345","","99.773","","91.141","","115.58","","571.551","","","","","","","","","","","","Fumade, Tarn, France","4","P -1","-P 1","2","","","Afmite","- Al3 H13 O16 P2 -","- Al3 H13 O16 P2 -","- Al6 H26 O32 P4 -","2","1","","Kampf, A. R.; Mills, S. J.; Rossman, G. R.; Steele, I. M.; Pluth, J. J.; Favreau, G.","Afmite, Al3(OH)4(H2O)3(PO4)(PO3OH)*H2O,a new mineral from Fumade, Tarn, France: description and crystal structure T = 298 K","European Journal of Mineralogy","2011","23","","269","277","10.1127/0935-1221/2011/0023-2093","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014271","9.887","","9.796","","6.054","","92.7","","99.83","","97.1","","571.913","","","","","","","","","","","","the Hagendorf-Sud pegmatite, Bavaria, Germany","10","P -1","-P 1","2","","","Nordgauite","- Al2 Ca0.07 F2 Fe0.04 H10 Mg0.01 Mn0.87 O13 P2 Zn0.01 -","- Al2 Ca0.07 F2 Fe0.04 H10 Mg0.01 Mn0.87 O13 P2 Zn0.01 -","- Al4 Ca0.14 F4 Fe0.08 H20 Mg0.02 Mn1.74 O26 P4 Zn0.02 -","2","1","","Birch, W. D.; Grey, I. E.; Mills, S. J.; Pring, A.; Bougerol, C.; Ribabldi-Tunnicliffe A; Wilson, N. C.; Keck, E.","Nordgauite, MnAl2(PO4)2(F,OH)2*5H2O, a new mineral from the Hagendorf-Sud pegmatite, Bavaria, Germany: description and crystal structure","Mineralogical Magazine","2011","75","","269","278","10.1180/minmag.2011.075.2.269","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014276","7.4414","","5.6628","","18.8315","","90","","101.383","","90","","777.934","","","","","","","","","","","","Ilimaussaq, Greenland","18","P 1 21/c 1","-P 2ybc","14","","","Rinkite","- Ca3.44 Ce0.5 F2.96 Fe0.02 Gd0.04 La0.16 Mn0.02 Na2.3 Nb0.34 Nd0.24 O15.04 Pr0.06 Si4 Sm0.04 Sr0.02 Ti0.6 Y0.08 Zr0.06 -","- Ca3.44 Ce0.5 F2.96 Fe0.02 Gd0.04 La0.16 Mn0.02 Na2.3 Nb0.34 Nd0.24 O15.04 Pr0.06 Si4 Sm0.04 Sr0.02 Ti0.6 Y0.08 Zr0.06 -","- Ca6.88 Ce F5.92 Fe0.04 Gd0.08 La0.32 Mn0.04 Na4.6 Nb0.68 Nd0.48 O30.08 Pr0.12 Si8 Sm0.08 Sr0.04 Ti1.2 Y0.16 Zr0.12 -","2","0.5","","Camara, F.; Sokolova, E.; Hawthorne, F. C.","From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 2909","Mineralogical Magazine","2011","75","","2755","2774","10.1180/minmag.2011.075.6.2755","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014278","13.2608","","27.0559","","5.2671","","90","","90","","90","","1889.74","","","","","","","","","","","","Batallones, Madrid, Spain","4","P n c n","-P 2ab 2n","52","","","Sepiolite","- H6 Mg3.592 O19 Si6 -","- H6 Mg3.592 O19 Si6 -","- H24 Mg14.368 O76 Si24 -","4","0.5","","Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G","Variability in sepiolite: Diffraction studies Note: Sample BAT225 Note: T = 225 C","American Mineralogist","2011","96","","1443","1454","10.2138/am.2011.3761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014317","15.8343","","15.8343","","7.1012","","90","","90","","120","","1541.91","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.296 B3 Ca0.682 F0.669 Fe0.045 H3.331 Li1.626 Mn0.027 Na0.248 O30.331 Pb0.009 Si6 Ti0.003 -","- Al21.888 B9 Ca2.046 F2.007 Fe0.135 H9 Li4.878 Mn0.081 Na0.744 O90.993 Pb0.027 Si18 Ti0.009 -","- Al21.888 B9 Ca2.046 F2.007 Fe0.135 H9 Li4.878 Mn0.081 Na0.744 O90.993 Pb0.027 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014340","10.238","","9.193","","12.211","","90","","95.108","","90","","1144.71","","","","","","","","","","","","Jachymov, Czech Republic","4","C 1 2/c 1","-C 2yc","15","","","Agricolaite","- C3 K4 O11 U -","- C12 K16 O44 U4 -","- C12 K16 O44 U4 -","","","","Skala, R.; Ondrus, P.; Veselovsky, F.; Cisarova, I.; Hlousek, J.","Agricolaite, a new mineral of uranium from Jachymov, Czech Republic","Mineralogy and Petrology","2011","103","","169","175","10.1007/s00710-011-0174-6","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014357","7.2591","","7.2591","","6.4255","","90","","90","","90","","338.589","","","","","","","","","","","","Montaldo di Mondovi, Italy","8","I 41/a m d :2","-I 4bd 2","141","","","Wakefieldite-(Y)","- As0.08 Ca0.15 Ce0.15 Nd0.15 O4 Th0.15 V0.92 Y0.4 -","- As0.08 Ca0.15 Ce0.15 Nd0.15 O4 Th0.15 V0.92 Y0.4 -","- As0.32 Ca0.6 Ce0.6 Nd0.6 O16 Th0.6 V3.68 Y1.6 -","4","0.125","","Cadoni, M.; Ciriotti, M. E.; Ferraris, G.","Wakefieldite-(Y) from Montaldo di Mondovi (Italy): new data and crystal structure","Rendiconti Lincei Scienze Fisiche e Naturali","2011","22","","307","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014358","7.9696","","8.1559","","11.3607","","110.364","","110.881","","84.67","","646.409","","","","","","","","","","","","Almgjotheii, Norway","6","P -1","-P 1","2","","","Werdingite","- Al7.371 B1.967 Fe0.605 Mg0.24 O18.484 Si1.82 -","- Al14.7426 B3.9342 Fe1.2092 Mg0.48 O36.9674 Si3.64 -","- Al14.7426 B3.9342 Fe1.2092 Mg0.48 O36.9674 Si3.64 -","","","","Grew, E. S.; Armbruster, T.; Lazic, P.; Yates, M. G.; Medenbach, O.; Huijsmans, J. P. P.","Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: The role of iron in a borosilicate with a mullite-type structure","European Journal of Mineralogy","2011","23","","577","589","10.1127/0935-1221/2011/0023-2121","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014363","11.4848","","11.4848","","11.4848","","90","","90","","90","","1514.85","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 572.9 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014374","5.6637","","5.8659","","12.7041","","98.725","","94.02","","90.683","","416.045","","","","","","","","","","","","Grand Reef mine, Aravaipa mining district, Arizona, USA","5","P -1","-P 1","2","","","Aravaipaite","- Al F9 H2 O Pb3 -","- Al F9 H2 O Pb3 -","- Al2 F18 H4 O2 Pb6 -","2","1","","Kampf, A. R.; Yang, H.; Downs, R. T.; Pinch, W. W.","The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite","American Mineralogist","2011","96","","402","407","10.2138/am.2011.3620","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014376","5.3813","","5.3813","","5.3813","","90","","90","","90","","155.834","","","","","","","","","","","","Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia","3","F m -3 m","-F 4 2 3","225","","","Vorlanite","- Ca0.53 O2 U0.47 -","- Ca2.12 O8 U1.88 -","- Ca2.12 O8 U1.88 -","","","","Galuskin, E. V.; Armbruster, T.; Galuskina, I. O.; Lazic, B.; Winiarski, A.; Gazeev, V. M.; Dzierzanowski, P.; Zadov, A. E.; Pertzev, N. N.; Wrzalik, R.; Gurbanov, A. G.; Janeczek, J.","Vorlanite (Ca(U6+)O4 - A new mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia Note: fluorite structure","American Mineralogist","2011","96","","188","196","10.2138/am.2011.3610","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014381","15.8529","","15.8529","","7.1101","","90","","90","","120","","1547.47","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.194 B3 Ca0.563 F0.693 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6 -","- Al21.582 B9 Ca1.689 F2.079 Fe0.045 H9 Li4.383 Mn0.99 Na1.062 O90.918 Pb0.078 Si18 -","- Al21.582 B9 Ca1.689 F2.079 Fe0.045 H9 Li4.383 Mn0.99 Na1.062 O90.918 Pb0.078 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L2, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014385","8.9925","","10.1291","","8.9971","","102.668","","92.49","","70.434","","752.989","","","","","","","","","","","","Gold Chain mine, Tintic district, Juab County, Utah, USA","6","P -1","-P 1","2","","","Juabite","- As4 Ca Cu10 H10 O34 Te4 -","- As4 Ca Cu10 H10 O34 Te4 -","- As4 Ca Cu10 H10 O34 Te4 -","1","0.5","","Kampf, A. R.; Mills, S. J.","The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite","Journal of Geosciences","2011","56","","235","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014436","4.632","","4.632","","6.209","","90","","90","","90","","133.217","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.3 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014443","12.079","","12.079","","12.079","","90","","90","","90","","1762.35","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Goldmanite","- Ca2.907 O12 Si3 V1.934 -","- Ca23.256 O96 Si24 V15.472 -","- Ca23.256 O96 Si24 V15.472 -","","","","Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V.","The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R090043","American Mineralogist","2011","96","","1278","1290","10.2138/am.2011.3690","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014448","11.5195","","11.5195","","11.5195","","90","","90","","90","","1528.62","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 873.1 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014449","15.8293","","15.8293","","7.1003","","90","","90","","120","","1540.74","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.335 B3 Ca0.688 F0.73 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003 -","- Al22.005 B9 Ca2.064 F2.19 Fe0.09 H9 Li4.788 Mn0.099 Na0.717 O90.81 Pb0.027 Si18 Ti0.009 -","- Al22.005 B9 Ca2.064 F2.19 Fe0.09 H9 Li4.788 Mn0.099 Na0.717 O90.81 Pb0.027 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L18, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014458","15.8399","","15.8399","","7.103","","90","","90","","120","","1543.4","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.251 B3 Ca0.638 F0.668 Fe0.132 H3.332 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.332 Pb0.006 Si6 Ti0.006 -","- Al21.753 B9 Ca1.914 F2.004 Fe0.396 H9 Li4.698 Mg0.045 Mn0.09 Na0.852 O90.996 Pb0.018 Si18 Ti0.018 -","- Al21.753 B9 Ca1.914 F2.004 Fe0.396 H9 Li4.698 Mg0.045 Mn0.09 Na0.852 O90.996 Pb0.018 Si18 Ti0.018 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L21, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014459","12.1506","","12.1506","","7.3678","","90","","90","","120","","942.028","","","","","","","","","","","","Cane Creek mine near Moab, Utah, USA","17","P 6/m","-P 6","175","","","Braitschite-(Ce)","- B24 Ca6.16 Ce1.11 Dy0.042 Er0.015 Eu0.057 Gd0.042 H14.6 Ho0.015 La0.663 Na0.84 Nd0.534 O53 Pr0.144 Sm0.144 Tb0.015 Y0.216 -","- B24 Ca6.16 Ce1.11 Dy0.042 Er0.015 Eu0.057 Gd0.042 H14.6 Ho0.015 La0.663 Na0.84 Nd0.534 O53 Pr0.144 Sm0.144 Tb0.015 Y0.216 -","- B24 Ca6.16 Ce1.11 Dy0.042 Er0.015 Eu0.057 Gd0.042 H14.6 Ho0.015 La0.663 Na0.84 Nd0.534 O53 Pr0.144 Sm0.144 Tb0.015 Y0.216 -","1","0.0833333","","Rowland, C. E.; Cahill, C. L.; Post, J. E.","The structure of braitschite, a calcium rare earth borate","American Mineralogist","2011","96","","197","201","10.2138/am.2011.3592","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014460","9.6402","","9.6402","","7.0121","","90","","90","","120","","564.353","","","","","","","","","","","","Blue Bell claims, near Baker, San Bernardino County, California, USA","5","P 63/m","-P 6c","176","","","Fluorphosphohedyphane","- Ca2.354 F O12 P3 Pb2.646 -","- Ca4.708 F2 O24 P6 Pb5.292 -","- Ca4.708 F2 O24 P6 Pb5.292 -","","","","Kampf, A. R.; Housley, R. M.","Fluorphosphohedyphane, Ca2Pb3(PO4)3F, the first apatite supergroup mineral with essential Pb and F","American Mineralogist","2011","96","","423","429","10.2138/am.2011.3586","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014481","4.8507","","16.6156","","20.5445","","90","","90.245","","90","","1655.82","","","","","","","","","","","","Vico volcanic complex, Capranica, Viterbo Province, Latium, Italy","8","P 1 21/n 1","-P 2yn","14","","","Capranicaite","- Al4 B4 Ca1.21 Cs0.07 K0.72 Na0.79 O18 Si2 -","- Al4 B4 Ca1.21 Cs0.07 K0.72 Na0.79 O18 Si2 -","- Al16 B16 Ca4.84 Cs0.28 K2.88 Na3.16 O72 Si8 -","4","1","","Callegari, A. M.; Boiocchi, M.; Bellatreccia, F.; Caprilli, E.; Medenbach, O.; Cavallo, A.","Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica, Italy, with a peculiar topology of the periodic single chain [Si2O6]","Mineralogical Magazine","2011","75","","33","43","10.1180/minmag.2011.075.1.33","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014486","4.682","","4.682","","6.311","","90","","90","","90","","138.344","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 5.4 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014487","12.0276","","12.0276","","12.0276","","90","","90","","90","","1739.95","","","","","","","","","","","","Tetitice, Klatovy, Czechoslovakia","7","I a -3 d","-I 4bd 2c 3","230","","","Goldmanite","- Al0.22 Ca2.778 Cr0.07 Mn0.129 O12 Si3 V1.62 -","- Al1.76 Ca22.224 Cr0.56 Mn1.032 O96 Si24 V12.96 -","- Al1.76 Ca22.224 Cr0.56 Mn1.032 O96 Si24 V12.96 -","","","","Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V.","The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R061138","American Mineralogist","2011","96","","1278","1290","10.2138/am.2011.3690","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014507","9.0425","","11.3303","","11.7353","","105.222","","97.377","","100.791","","1119.46","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","Huemulite","- H47.64 Mg Na4 O51.82 V10 -","- H47.64 Mg Na4 O51.82 V10 -","- H47.64 Mg Na4 O51.82 V10 -","1","0.5","","Colombo, F.; Baggio, R.; Kampf, A. R.","The crystal structure of the elusive huemulite","The Canadian Mineralogist","2011","49","","849","864","10.3749/canmin.49.3.849","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014512","11.4425","","11.4425","","11.4425","","90","","90","","90","","1498.18","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 122.3 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014518","11.445","","11.445","","11.445","","90","","90","","90","","1499.16","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 173.7 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014519","16.068","","3.058","","10.929","","90","","93.82","","90","","535.814","","","","","","","","","","","","Fornovolasco, Tuscany, Italy","4","C 1 2/m 1","-C 2y","12","","","Volaschioite","- Fe2 H5 O7 S0.5 -","- Fe2 O7 S0.5 -","- Fe8 O28 S2 -","4","0.5","","Biagioni, C.; Bonaccorsi, E.; Orlandi, P.","Volaschioite, Fe3+4(SO4)O2(OH)6*2H20, a new mineral species from Fornovolasco, Apuan Alps, Tuscany, Italy","The Canadian Mineralogist","2011","49","","605","614","10.3749/canmin.49.2.605","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014523","15.8286","","15.8286","","7.1012","","90","","90","","120","","1540.8","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.293 B3 Ca0.684 F0.712 Fe0.039 H3.288 Li1.62 Mn0.048 Na0.238 O30.288 Pb0.013 Si6 -","- Al21.879 B9 Ca2.052 F2.136 Fe0.117 H9 Li4.86 Mn0.144 Na0.714 O90.864 Pb0.039 Si18 -","- Al21.879 B9 Ca2.052 F2.136 Fe0.117 H9 Li4.86 Mn0.144 Na0.714 O90.864 Pb0.039 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L24, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014533","15.8418","","15.8418","","7.1044","","90","","90","","120","","1544.07","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.303 Li1.605 Mn0.18 Na0.288 O30.303 Pb0.023 Si6 -","- Al21.582 B9 Ca1.923 F2.088 Fe0.063 H9 Li4.815 Mn0.54 Na0.864 O90.909 Pb0.069 Si18 -","- Al21.582 B9 Ca1.923 F2.088 Fe0.063 H9 Li4.815 Mn0.54 Na0.864 O90.909 Pb0.069 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L6, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014552","7.424","","5.7083","","18.941","","90","","101.424","","90","","786.787","","","","","","","","","","","","Takhtarvumchorr Mt., Khibiny, Kola, Russia","18","P 1 21/c 1","-P 2ybc","14","","","Rinkite","- Ba0.02 Ca3.78 Ce0.36 F2.98 Gd0.02 La0.12 Mn0.02 Na2.04 Nb0.14 Nd0.18 O15.02 Pr0.04 Si4 Sm0.02 Sr0.24 Ti0.85 Y0.06 Zr0.01 -","- Ba0.02 Ca3.78 Ce0.36 F2.98 Gd0.02 La0.12 Mn0.02 Na2.04 Nb0.14 Nd0.18 O15.02 Pr0.04 Si4 Sm0.02 Sr0.24 Ti0.85 Y0.06 Zr0.01 -","- Ba0.04 Ca7.56 Ce0.72 F5.96 Gd0.04 La0.24 Mn0.04 Na4.08 Nb0.28 Nd0.36 O30.04 Pr0.08 Si8 Sm0.04 Sr0.48 Ti1.7 Y0.12 Zr0.02 -","2","0.5","","Camara, F.; Sokolova, E.; Hawthorne, F. C.","From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 3471","Mineralogical Magazine","2011","75","","2755","2774","10.1180/minmag.2011.075.6.2755","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014563","3.09689","","3.09689","","15.6193","","90","","90","","120","","129.731","","","","","","","","","","","","Barberton, South Africa","5","P 63/m m c","-P 6c 2c","194","","","Barbertonite","- C0.124 H3.224 Cr0.25 Mg0.75 O2.984 -","- C0.124 H3.224 Cr0.25 Mg0.75 O2.984 -","- C0.248 H6.448 Cr0.5 Mg1.5 O5.968 -","2","0.0833333","","Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A.","The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: Sample 84588, 2H1 polytype of stichtite","American Mineralogist","2011","96","","179","187","10.2138/am.2011.3531","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9014584","9.2425","","12.47","","5.002","","90","","100.19","","90","","567.407","","","","","","","","","","","","Spring Creek copper mine, near Wilmington, South Australia","11","P 1 21/m 1","-P 2yb","11","","","Perloffite","- Al0.06 Ba0.97 Ca0.04 Fe2.7 H3 Mg0.04 Mn1.14 Na0.02 O15 P3 Sr0.03 -","- Al0.12 Ba1.94 Ca0.08 Fe5.4 H6 Mg0.08 Mn2.28 Na0.04 O30 P6 Sr0.06 -","- Al0.12 Ba1.94 Ca0.08 Fe5.4 H6 Mg0.08 Mn2.28 Na0.04 O30 P6 Sr0.06 -","","","","Elliott, P.; Willis, A. C.","The crystal structure of perloffite","Mineralogical Magazine","2011","75","","317","325","10.1180/minmag.2011.075.2.317","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014596","15.8333","","15.8333","","7.1025","","90","","90","","120","","1542","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.272 B3 Ca0.614 F0.633 Fe0.156 H3.367 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.367 Pb0.006 Si6 Ti0.018 -","- Al21.816 B9 Ca1.842 F1.899 Fe0.468 H9 Li4.446 Mg0.054 Mn0.171 Na0.933 O91.101 Pb0.018 Si18 Ti0.054 -","- Al21.816 B9 Ca1.842 F1.899 Fe0.468 H9 Li4.446 Mg0.054 Mn0.171 Na0.933 O91.101 Pb0.018 Si18 Ti0.054 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L27, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014620","15.8306","","15.8306","","7.0999","","90","","90","","120","","1540.91","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.239 B3 Ca0.683 F0.638 Fe0.063 H3.362 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.362 Pb0.006 Si6 Ti0.003 -","- Al21.717 B9 Ca2.049 F1.914 Fe0.189 H9 Li4.896 Mg0.081 Mn0.108 Na0.741 O91.086 Pb0.018 Si18 Ti0.009 -","- Al21.717 B9 Ca2.049 F1.914 Fe0.189 H9 Li4.896 Mg0.081 Mn0.108 Na0.741 O91.086 Pb0.018 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L22, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014641","15.8368","","15.8368","","7.1014","","90","","90","","120","","1542.44","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.194 B3 Ca0.66 F0.434 Fe0.093 H3.566 Li1.647 Mn0.051 Na0.272 O30.566 Pb0.005 Si6 Ti0.009 -","- Al21.582 B9 Ca1.98 F1.302 Fe0.279 H9 Li4.941 Mn0.153 Na0.816 O91.698 Pb0.015 Si18 Ti0.027 -","- Al21.582 B9 Ca1.98 F1.302 Fe0.279 H9 Li4.941 Mn0.153 Na0.816 O91.698 Pb0.015 Si18 Ti0.027 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L26, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014662","15.853","","15.853","","7.12","","90","","90","","120","","1549.65","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.191 B3 Ca0.51 F0.753 Fe0.027 H3.246 Li1.359 Mn0.423 Na0.408 O30.246 Pb0.026 Si6 -","- Al21.573 B9 Ca1.53 F2.259 Fe0.081 H9 Li4.077 Mn1.269 Na1.224 O90.738 Pb0.078 Si18 -","- Al21.573 B9 Ca1.53 F2.259 Fe0.081 H9 Li4.077 Mn1.269 Na1.224 O90.738 Pb0.078 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L12, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014664","5.3244","","5.3244","","7.268","","90","","90","","120","","178.438","","","","","","","","","","","","Pompeano, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886 -","- Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886 -","- Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886 -","","","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A.","The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 4, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014669","11.4572","","11.4572","","11.4572","","90","","90","","90","","1503.96","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 295 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014680","5.9466","","10.2247","","16.6496","","72.213","","79.718","","89.791","","947.062","","","","","","","","","","","","Synthetic","4","P -1","-P 1","2","","","","- C4 H6 Ca O6 -","- C24 H36 Ca6 O36 -","- C24 H36 Ca6 O36 -","","","","Herdtweck, E.; Kornprobst, T.; Sieber, R.; Straver, L.; Plank, J.","Crystal structure, synthesis, and properties of tri-calcium di-citrate tetra-hydrate [Ca3(C6H5O7)2(H2O)2]*2H2O Notwe: polymorph of earlandite","Zeitschrift fur Anorganische und Allgemeine Chemie","2011","637","","655","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014685","6.988","","6.988","","16.707","","90","","90","","120","","706.537","","","","","","","","","","","","Silver Coin mine, Nevada, USA","5","P 3 2 1","P 3 2""","150","","","Iangreyite","- Al7 Ca2 H33 O39 P4 -","- Al7 Ca2 H33 O39 P4 -","- Al7 Ca2 H33 O39 P4 -","1","0.166667","","Mills, S. J.; Kampf, A. R.; Sejkora, J.; Adams, P. M.; Birch, W. D.; Plasil, J.","Iangreyite: a new secondary phosphate mineral closely related to perhamite","Mineralogical Magazine","2011","75","","327","336","10.1180/minmag.2011.075.2.327","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014699","11.5078","","11.5078","","11.5078","","90","","90","","90","","1523.97","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 773.1 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014700","8.668","","10.295","","12.908","","105.826","","97.899","","103.385","","1053.06","","","","","","","","","","","","Sunday mine, San Miguel county, Colorado","5","P -1","-P 1","2","","","Hughesite","- Al H44 Na3 O50 V10 -","- Al H44 Na3 O50 V10 -","- Al H44 Na3 O50 V10 -","","","","Rakovan, J.; Schmidt, G. R.; Gunter, M. E.; Nash, B.; Marty, J.; Kampf, A. R.; Wise, W. S.","Hughesite, Na3Al(V10O28)*22H2O, a new member of the pascoite family of minerals from the Sunday mine, San Miguel county, Colorado","The Canadian Mineralogist","2011","49","","1253","1265","10.3749/canmin.49.5.1253","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014705","27.483","","8.669","","5.246","","90","","90.782","","90","","1249.74","","","","","","","","","","","","the Lovozero alkaline massif, Kola Peninsula, Russia","6","C 1 2/c 1","-C 2yc","15","","","Eliseevite","- H5.5 Li Na1.5 O16 Si4 Ti2 -","- H5.5 Li Na1.5 O16 Si4 Ti2 -","- H22 Li4 Na6 O64 Si16 Ti8 -","4","0.5","","Yakovenchuk, V. N.; Ivanyuk, G. Y.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Korchak, J. A.; Men'shikov, Y. P.; Drogobuzhskaya, S. V.; Zalkind, O. A.","Eliseevite, Na1.5Li[Ti2Si4O12.5(OH)1.5]*2H2O, a new microporous titanosilicate from the Lovozero alkaline massif (Kola Peninsula, Russia) Note y-coordinate for O3 changed from .218 to reproduce reported bond lengths","American Mineralogist","2011","96","","1624","1629","10.2138/am.2011.3726","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014723","13.3067","","26.972","","5.2664","","90","","90","","90","","1890.16","","","","","","","","","","","","Batallones, Madrid, Spain","4","P n c n","-P 2ab 2n","52","","","Sepiolite","- H12 Mg3.592 O22 Si6 -","- H12 Mg3.592 O22 Si6 -","- H48 Mg14.368 O88 Si24 -","4","0.5","","Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G","Variability in sepiolite: Diffraction studies Note: Sample BAT25 Note: T = 25 C","American Mineralogist","2011","96","","1443","1454","10.2138/am.2011.3761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014724","15.8299","","15.8299","","7.1009","","90","","90","","120","","1540.99","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.317 B3 Ca0.695 F0.678 Fe0.057 H3.51 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.51 Pb0.007 Si6 Ti0.003 -","- Al21.951 B9 Ca2.085 F2.034 Fe0.171 H9 Li4.707 Mg0.063 Mn0.099 Na0.72 O91.53 Pb0.021 Si18 Ti0.009 -","- Al21.951 B9 Ca2.085 F2.034 Fe0.171 H9 Li4.707 Mg0.063 Mn0.099 Na0.72 O91.53 Pb0.021 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L23, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014725","9.6967","","14.2676","","7.8748","","90","","90","","90","","1089.47","","","","","","","","","","","","Tambo mine, Coquimbo Regioin, Chile","5","P 21 n b","P -2bc 2a","33","","","Poughite","- Fe2 H6 O13 S Te2 -","- Fe2 H6 O13 S Te2 -","- Fe8 H24 O52 S4 Te8 -","4","1","","Kampf, A. R.; Mills, S. J.","The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite","Journal of Geosciences","2011","56","","235","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014726","7.128","","14.644","","14.642","","90","","90","","90","","1528.37","","","","","","","","","","","","Kahn Bogdo, Mongolia","6","P b c m","-P 2c 2b","57","","","Elpidite","- H5.38 Na1.581 O17.69 Rb0.2 Si6 Zr -","- H5.38 Na1.581 O17.69 Rb0.2 Si6 Zr -","- H21.52 Na6.324 O70.76 Rb0.8 Si24 Zr4 -","4","0.5","","Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.","Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 90 deg C","Crystallography Reports","2011","56","","832","841","10.1134/S1063774511050117","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014736","16.326","","8.773","","4.583","","90","","90","","90","","656.414","","","","","","","","","","","","Friedrich-Christian mine, Schapbach, Black Forest,","4","P n m a","-P 2ac 2n","62","","","Fassinaite","- C O6 Pb2 S2 -","- C4 O24 Pb8 S8 -","- C4 O24 Pb8 S8 -","","","","Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.","Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-03 Baden-Wurttemberg, Germany","Mineralogical Magazine","2011","75","","2721","2732","10.1180/minmag.2011.075.6.2721","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014746","7.772","","7.772","","7.772","","90","","90","","90","","469.46","","","","","","","","","","","","Cap Garonne, France","6","P -4 3 m","P -4 2 3","215","","","Bariopharmacoalumite","- Al3.12 As3 Ba0.51 Fe0.88 H4 O18.9 -","- Al3.12 As3 Ba0.51 Fe0.88 H4 O18.9 -","- Al3.12 As3 Ba0.51 Fe0.88 H4 O18.9 -","","","","Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M.","Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile","Mineralogical Magazine","2011","75","","135","144","10.1180/minmag.2011.075.1.135","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014795","15.8293","","15.8293","","7.1003","","90","","90","","120","","1540.74","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.335 B3 Ca0.688 F0.729 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003 -","- Al22.005 B9 Ca2.064 F2.187 Fe0.09 H9 Li4.788 Mn0.099 Na0.717 O90.81 Pb0.027 Si18 Ti0.009 -","- Al22.005 B9 Ca2.064 F2.187 Fe0.09 H9 Li4.788 Mn0.099 Na0.717 O90.81 Pb0.027 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L18, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014798","10.3394","","10.3394","","37.0836","","90","","90","","120","","3433.23","","","","","","","","","","","","Tip Top mine, South Dakota, USA","7","R 3 c :H","R 3 -2""c","161","","","Bobdownsite","- Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97 -","- Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97 -","- Al0.24 Ca54 F5.04 H0.96 Mg5.76 O162.96 P41.82 -","6","0.333333","","Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.","Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654","The Canadian Mineralogist","2011","49","","1065","1078","10.3749/canmin.49.4.1065","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014799","3.7349","","3.7349","","3.7349","","90","","90","","90","","52.1","","","","","","","","","","","","Jeffrey mine, Asbestos, Quebec, Canada","2","P m -3 m","-P 4 2 3","221","","","Nisnite","- Ni3 Sn -","- Ni3 Sn -","- Ni3 Sn -","","","","Rowe, R.; Grice, J. D.; Poirier, G.; Stanley, C. J.; Horvath, L.","Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec","The Canadian Mineralogist","2011","49","","651","656","10.3749/canmin.49.2.651","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014863","11.473","","11.473","","11.473","","90","","90","","90","","1510.19","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 472.6 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014864","15.8449","","15.8449","","7.1053","","90","","90","","120","","1544.87","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.209 B3 Ca0.583 F0.648 Fe0.015 H3.351 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.351 Pb0.006 Si6 Ti0.009 -","- Al21.627 B9 Ca1.749 F1.944 Fe0.045 H9 Li4.473 Mg0.18 Mn0.099 Na1.035 O91.053 Pb0.018 Si18 Ti0.027 -","- Al21.627 B9 Ca1.749 F1.944 Fe0.045 H9 Li4.473 Mg0.18 Mn0.099 Na1.035 O91.053 Pb0.018 Si18 Ti0.027 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L13, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014875","15.8529","","15.8529","","7.1101","","90","","90","","120","","1547.47","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.194 B3 Ca0.563 F0.694 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6 -","- Al21.582 B9 Ca1.689 F2.082 Fe0.045 H9 Li4.383 Mn0.99 Na1.062 O90.918 Pb0.078 Si18 -","- Al21.582 B9 Ca1.689 F2.082 Fe0.045 H9 Li4.383 Mn0.99 Na1.062 O90.918 Pb0.078 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L2, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014914","17.9733","","5.6916","","9.13","","90","","90","","90","","933.97","","","","","","","","","","","","Iron Monarch quarry, Iron Knob, South Australia, Australia","6","P 21 21 21","P 2ac 2ab","19","","","Gatehouseite","- As0.06 H4 Mn5 O12 P1.76 Si0.18 -","- As0.24 H16 Mn20 O48 P7.04 Si0.72 -","- As0.24 H16 Mn20 O48 P7.04 Si0.72 -","","","","Elliott, P.; Pring, A.","The crystal structure of gatehouseite","Mineralogical Magazine","2011","75","","2823","2832","10.1180/minmag.2011.075.6.2823","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014918","6.8126","","6.9416","","12.9412","","90.582","","97.552","","98.251","","600.143","","","","","","","","","","","","the Birkhin gabbro massif, Eastern Siberia, Russia","5","P -1","-P 1","2","","","Dellaite","- Ca6 Cl0.286 H1.72 O12.714 Si3 -","- Ca12 Cl0.572 H3.44 O25.428 Si6 -","- Ca12 Cl0.572 H3.44 O25.428 Si6 -","","","","Armbruster, T.; Lazic, B.; Gfeller, F.; Galuskin, E. V.; Galuskina, I. O.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P.","Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-containing dellaite","Mineralogical Magazine","2011","75","","379","394","10.1180/minmag.2011.075.2.379","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014919","13.4074","","27.0244","","5.2767","","90","","90","","90","","1911.89","","","","","","","","","","","","Fauske, Nordland, Norway","4","P n c n","-P 2ab 2n","52","","","Sepiolite","- H12 Mg3.84 O22 Si6 -","- H12 Mg3.84 O22 Si6 -","- H48 Mg15.36 O88 Si24 -","4","0.5","","Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G","Variability in sepiolite: Diffraction studies Note: Sample NOR25 Note: T = 25 C","American Mineralogist","2011","96","","1443","1454","10.2138/am.2011.3761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014928","5.822","","10.175","","22.8816","","90","","96.902","","90","","1345.66","","","","","","","","","","","","Corbriza mine, Copiapo, Chile","4","P 1 21/c 1","-P 2ybc","14","","","Vladimirite","- As3 Ca4 H9 O16 -","- As3 Ca4 H9 O16 -","- As12 Ca16 H36 O64 -","4","1","","Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A.","The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R080001","The Canadian Mineralogist","2011","49","","1055","1064","10.3749/canmin.49.4.1055","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014930","10.4451","","10.4451","","10.4451","","90","","90","","90","","1139.56","","","","","","","","","","","","Quixaba, Paraiba, Brazil","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Fluornatromicrolite","- Bi0.15 Ca0.65 F Na1.11 O6 Ta2 -","- Bi1.2 Ca5.2 F8 Na8.88 O48 Ta16 -","- Bi1.2 Ca5.2 F8 Na8.88 O48 Ta16 -","","","","Witzke, T.; Steins, M.; Doering, T.; Schuckmann, W.; Wegner, R.; Pollmann, H.","Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species from Quixaba, Paraiba, Brazil","The Canadian Mineralogist","2011","49","","1105","1110","10.3749/canmin.49.4.1105","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014942","6.036","","4.8684","","6.8788","","90","","90","","90","","202.138","","","","","","","","","","","","Synthetic","2","P b c a","-P 2ac 2ab","61","","","","- Ni P -","- Ni8 P8 -","- Ni8 P8 -","","","","Dera, P.; Lazarz, J. D.; Lavina, B.","Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 1.29 GPa","Journal of Solid State Chemistry","2011","184","","1997","2003","10.1016/j.jssc.2011.05.050","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014946","19.848","","10.1889","","13.1184","","90","","130.187","","90","","2026.68","","","","","","","","","","","","West Sunday mine, San Miguel County, Colorado, USA","5","C 1 2/m 1","-C 2y","12","","","Gunterite","- Ca0.44 H22 Na1.56 O25 V5 -","- Ca0.44 H22 Na1.56 O25 V5 -","- Ca1.76 H88 Na6.24 O100 V20 -","4","0.5","","Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B.","Gunterite, Na4(H2O)16(H2V10O28)*6H2O, a new mineral species with a doubly-protonated decavanadate polyanion: crystal structure and descriptive mineralogy","The Canadian Mineralogist","2011","49","","1243","1251","10.3749/canmin.49.5.1243","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014953","11.5291","","11.5291","","11.5291","","90","","90","","90","","1532.45","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 972.9 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014971","11.58","","6.9844","","12.352","","90","","110.573","","90","","935.309","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Priceite","- B5 Ca2 H7 O13 -","- B5 Ca2 H7 O13 -","- B20 Ca8 H28 O52 -","4","1","","Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.","Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K","The Canadian Mineralogist","2011","49","","823","834","10.3749/canmin.49.3.823","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014979","15.955","","15.955","","7.153","","90","","90","","120","","1576.93","","","","","","","","","","","","the Crabtree Emerald mine, Mitchell County, North Carolina, USA","13","R 3 m :H","R 3 -2""","160","","","Fluor-dravite","- Al6.03 B3 Ca0.04 F0.61 Fe0.87 H3.39 Li0.12 Mg1.83 Mn0.09 Na0.88 O30.39 Si6 Ti0.03 -","- Al6.03 B3 Ca0.04 F0.61 Fe0.87 H3.39 Li0.12 Mg1.83 Mn0.09 Na0.88 O30.39 Si6 Ti0.03 -","- Al18.09 B9 Ca0.12 F1.83 Fe2.61 H10.17 Li0.36 Mg5.49 Mn0.27 Na2.64 O91.17 Si18 Ti0.09 -","3","0.166667","","Clark, C. M.; Hawthorne, F. C.; Ottolini, L.","Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline group from the Crabtree Emerald mine, Mitchell County, North Carolina: Description and crystal structure","The Canadian Mineralogist","2011","49","","57","62","10.3749/canmin.49.1.57","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014981","7.4132","","5.6816","","18.8455","","90","","101.37","","90","","778.173","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","15","P 1 21/c 1","-P 2ybc","14","","","Rinkite","- Ca4.16 Ce0.3 F2.96 La0.16 Mn0.02 Na2.08 Nb0.29 Nd0.08 O15.04 Pr0.04 Si4 Sr0.02 Ti0.67 Y0.08 Zr0.04 -","- Ca4.16 Ce0.3 F2.96 La0.16 Mn0.02 Na2.08 Nb0.29 Nd0.08 O15.04 Pr0.04 Si4 Sr0.02 Ti0.67 Y0.08 Zr0.04 -","- Ca8.32 Ce0.6 F5.92 La0.32 Mn0.04 Na4.16 Nb0.58 Nd0.16 O30.08 Pr0.08 Si8 Sr0.04 Ti1.34 Y0.16 Zr0.08 -","2","0.5","","Camara, F.; Sokolova, E.; Hawthorne, F. C.","From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample H-08-02","Mineralogical Magazine","2011","75","","2755","2774","10.1180/minmag.2011.075.6.2755","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014982","15.8307","","15.8307","","7.1013","","90","","90","","120","","1541.23","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.287 B3 Ca0.685 F0.684 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003 -","- Al21.861 B9 Ca2.055 F2.052 Fe0.18 H9 Li4.851 Mn0.108 Na0.735 O90.945 Pb0.03 Si18 Ti0.009 -","- Al21.861 B9 Ca2.055 F2.052 Fe0.18 H9 Li4.851 Mn0.108 Na0.735 O90.945 Pb0.03 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L16, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015003","5.313","","10.495","","8.568","","90","","91.14","","90","","477.657","","","","","","","","","","","","Molinello mine, Val Graveglia, Liguria, Italy","4","P 1 21/m 1","-P 2yb","11","","","Bassoite","- H8 O11 Sr V3 -","- H8 O11 Sr V3 -","- H16 O22 Sr2 V6 -","2","0.5","","Bindi, L.; Carbone, C.; Cabella, R.; Lucchetti, G.","Bassoite, SrV3O7*4H2O, a new mineral from Molinello mine, Val Graveglia, eastern Liguria, Italy","Mineralogical Magazine","2011","75","","2677","2686","10.1180/minmag.2011.075.5.2677","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015006","15.8456","","15.8456","","7.1066","","90","","90","","120","","1545.29","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.188 B3 Ca0.628 F0.702 Fe0.021 H3.298 Li1.584 Mn0.207 Na0.297 O30.298 Pb0.023 Si6 -","- Al21.564 B9 Ca1.884 F2.106 Fe0.063 H9 Li4.752 Mn0.621 Na0.891 O90.894 Pb0.069 Si18 -","- Al21.564 B9 Ca1.884 F2.106 Fe0.063 H9 Li4.752 Mn0.621 Na0.891 O90.894 Pb0.069 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L5, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015015","7.1312","","14.6853","","14.6349","","90","","90","","90","","1532.62","","","","","","","","","","","","Kahn Bogdo, Mongolia","5","P b c m","-P 2c 2b","57","","","Elpidite","- H6 Na2 O18 Si6 Zr -","- H6 Na2 O18 Si6 Zr -","- H24 Na8 O72 Si24 Zr4 -","4","0.5","","Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.","Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms","Crystallography Reports","2011","56","","832","841","10.1134/S1063774511050117","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015030","15.853","","15.853","","7.12","","90","","90","","120","","1549.65","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.191 B3 Ca0.51 F0.752 Fe0.027 H3.248 Li1.359 Mn0.423 Na0.408 O30.248 Pb0.026 Si6 -","- Al21.573 B9 Ca1.53 F2.256 Fe0.081 H9 Li4.077 Mn1.269 Na1.224 O90.744 Pb0.078 Si18 -","- Al21.573 B9 Ca1.53 F2.256 Fe0.081 H9 Li4.077 Mn1.269 Na1.224 O90.744 Pb0.078 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L12, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015035","15.8636","","15.8636","","7.1119","","90","","90","","120","","1549.96","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.239 B3 Ca0.487 F0.709 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003 -","- Al21.717 B9 Ca1.461 F2.127 Fe0.333 H9 Li3.861 Mn1.089 Na1.305 O90.873 Pb0.066 Si18 Ti0.009 -","- Al21.717 B9 Ca1.461 F2.127 Fe0.333 H9 Li3.861 Mn1.089 Na1.305 O90.873 Pb0.066 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L1, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015039","13.4517","","12.5266","","26.6765","","90","","101.582","","90","","4403.57","","","","","","","","","","","","Cross Lake, Manitoba, Canada","8","P 1 c 1","P -2yc","7","","","Manitobaite","- Al6.56 Ca2.44 Fe12 Mg0.44 Mn12.2 Na15.13 O120 P30 -","- Al13.12 Ca4.88 Fe24 Mg0.88 Mn24.4 Na30.26 O240 P60 -","- Al13.12 Ca4.88 Fe24 Mg0.88 Mn24.4 Na30.26 O240 P60 -","","","","Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C.","The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: green sample","The Canadian Mineralogist","2011","49","","1221","1242","10.3749/canmin.49.5.1221","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015055","16.4529","","5.6432","","10.3631","","90","","90","","90","","962.183","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","","- Al3 H O13 Pb2 Si3 -","- Al3 H O13 Pb2 Si3 -","- Al12 H4 O52 Pb8 Si12 -","4","0.5","","Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M.","Synthesis of Pb-zoisite and Pb-lawsonite","Neues Jahrbuch fur Mineralogie, Abhandlungen","2011","188","","99","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9015077","5.4206","","7.125","","29.314","","90","","94.698","","90","","1128.35","","","","","","","","","","","","Inagli massif, Yakutia, Russia","14","P 1 2/c 1","-P 2yc","13","","","Innelite","- Al0.02 Ba3.92 Ca0.1 Fe0.17 Mg0.15 Mn0.38 Na2.16 Nb0.02 O26 P0.8 S1.02 Si4 Sr0.08 Ti2.96 -","- Al0.02 Ba3.92 Ca0.1 Fe0.17 Mg0.15 Mn0.38 Na2.16 Nb0.02 O26 P0.8 S1.02 Si4 Sr0.08 Ti2.96 -","- Al0.04 Ba7.84 Ca0.2 Fe0.34 Mg0.3 Mn0.76 Na4.32 Nb0.04 O52 P1.6 S2.04 Si8 Sr0.16 Ti5.92 -","2","0.5","","Sokolova, E.; Camara, F.; Hawthorne, F. C.","From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-2M","Mineralogical Magazine","2011","75","","2495","2518","10.1180/minmag.2011.075.4.2495","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015087","4.9501","","4.9501","","6.9259","","90","","90","","90","","169.709","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.2 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015111","5.1129","","6.6481","","9.0079","","73.347","","78.053","","76.709","","282.2","","","","","","","","","","","","Tambo mine, Coquimbo Regioin, Chile","5","P -1","-P 1","2","","","Rodalquilarite","- Cl Fe2 H3 O12 Te4 -","- Cl Fe2 H3 O12 Te4 -","- Cl Fe2 H3 O12 Te4 -","","","","Kampf, A. R.; Mills, S. J.","The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite","Journal of Geosciences","2011","56","","235","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015113","5.329","","11.803","","11.822","","101.14","","98.224","","102.442","","699.079","","","","","","","","","","","","Larvik Plutonic Complex, Oslo Region, Norway","14","P -1","-P 1","2","","","Sveinbergeite","- Al0.08 Ca0.96 F0.16 Fe6.55 H12.38 K0.14 Mg0.14 Mn0.35 Na0.12 Nb0.06 O34.64 Si7.92 Ti1.86 Zr0.04 -","- Al0.08 Ca0.96 F0.16 Fe6.55 H12.38 K0.14 Mg0.14 Mn0.35 Na0.12 Nb0.06 O34.64 Si7.92 Ti1.86 Zr0.04 -","- Al0.08 Ca0.96 F0.16 Fe6.55 H12.38 K0.14 Mg0.14 Mn0.35 Na0.12 Nb0.06 O34.64 Si7.92 Ti1.86 Zr0.04 -","1","0.5","","Khomyakov, A. P.; Cámara F; Sokolova, E.; Abdu, Y.; Hawthorne, F. C.","Sveinbergeite, Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4, a new astrophyllite-group mineral from the Larvik Plutonic Complex, Oslo Region, Norway: description and crystal structure","Mineralogical Magazine","2011","75","","2687","2702","10.1180/minmag.2011.075.5.2687","","","","","","","","","","","","","","","","","","","","","has coordinates","283860","2023-05-18","12:37:20",""
"9015137","13.3765","","27.085","","5.2757","","90","","90","","90","","1911.4","","","","","","","","","","","","Fauske, Nordland, Norway","4","P n c n","-P 2ab 2n","52","","","Sepiolite","- H6 Mg3.84 O19 Si6 -","- H6 Mg3.84 O19 Si6 -","- H24 Mg15.36 O76 Si24 -","4","0.5","","Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G","Variability in sepiolite: Diffraction studies Note: Sample NOR225 Note: T = 225 C","American Mineralogist","2011","96","","1443","1454","10.2138/am.2011.3761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015143","5.4027","","7.0656","","10.2178","","99.816","","99.624","","90.085","","378.747","","","","","","","","","","","","the Eifel volcanic area, Germany","14","P 1","P 1","1","","","Schullerite","- Al0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3 -","- Al0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3 -","- Al0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3 -","1","1","","Rastsvetaeva, R. K.; Aksenov, S.; Chukanov, N.","Crystal structure of schüllerite, a new mineral of the heterophyllosilicate family","Doklady Chemistry","2011","437","","90","94","10.1134/S0012500811040045","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015150","12.089","","12.089","","12.089","","90","","90","","90","","1766.73","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Goldmanite","- Ca2.862 O12 Si3 V1.902 -","- Ca22.896 O96 Si24 V15.216 -","- Ca22.896 O96 Si24 V15.216 -","","","","Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V.","The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R090044","American Mineralogist","2011","96","","1278","1290","10.2138/am.2011.3690","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015163","5.3259","","5.3259","","7.2726","","90","","90","","120","","178.651","","","","","","","","","","","","Varana, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888 -","- Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888 -","- Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888 -","","","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.","The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 1, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015181","11.4641","","11.4641","","11.4641","","90","","90","","90","","1506.68","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 373.5 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015188","15.8303","","15.8303","","7.1017","","90","","90","","120","","1541.24","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.308 B3 Ca0.691 F0.678 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003 -","- Al21.924 B9 Ca2.073 F2.034 Fe0.162 H9 Li4.833 Mg0.009 Mn0.072 Na0.702 O90.963 Pb0.018 Si18 Ti0.009 -","- Al21.924 B9 Ca2.073 F2.034 Fe0.162 H9 Li4.833 Mg0.009 Mn0.072 Na0.702 O90.963 Pb0.018 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L20, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015213","5.85","","9.03","","13.31","","90","","90","","90","","703.107","","","","","","","","","","","","Synthetic","5","P b n m","-P 2c 2ab","62","","","","- Al2 H4 O10 Pb Si2 -","- Al2 H4 O10 Pb Si2 -","- Al8 H16 O40 Pb4 Si8 -","4","0.5","","Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M.","Synthesis of Pb-zoisite and Pb-lawsonite","Neues Jahrbuch fur Mineralogie, Abhandlungen","2011","188","","99","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015215","6.306","","8.643","","11.31","","90","","92.26","","90","","615.947","","","","","","","","","","","","Second cinder cone, North Branch, Tolbach volcano, Kamchatka, Russia","3","P 1 21/c 1","-P 2ybc","14","","","Lammerite-beta","- As2 Cu3 O8 -","- As8 Cu12 O32 -","- As8 Cu12 O32 -","","","","Starova, G. L.; Vergasova, L. P.; Filatov, S. K.; Britvin S N. Ananyev V V","Lammerite-beta, Cu3(AsO4)2 - a new mineral from fumaroles of the Great Fissure Tolbachic eruption (Kamchatka, Russia)","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2011","140","","46","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015225","7.98539","","8.15541","","11.4021","","110.436","","110.872","","84.678","","649.732","","","","","","","","","","","","Bok se Puts, Namaqualand, South Africa","6","P -1","-P 1","2","","","Werdingite","- Al13.571 B3.58 Fe0.8 Mg1.634 O37 Si4 -","- Al13.571 B3.58 Fe0.8 Mg1.634 O37 Si4 -","- Al13.571 B3.58 Fe0.8 Mg1.634 O37 Si4 -","","","","Grew, E. S.; Armbruster, T.; Lazic, P.; Yates, M. G.; Medenbach, O.; Huijsmans, J. P. P.","Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: The role of iron in a borosilicate with a mullite-type structure","European Journal of Mineralogy","2011","23","","577","589","10.1127/0935-1221/2011/0023-2121","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015228","5.8279","","10.1802","","22.8944","","90","","96.943","","90","","1348.35","","","","","","","","","","","","Ait Ahmane vein No. 53, Bou Azzer district, Morroco","4","P 1 21/c 1","-P 2ybc","14","","","Vladimirite","- As3 Ca4 H9 O16 -","- As3 Ca4 H9 O16 -","- As12 Ca16 H36 O64 -","4","1","","Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A.","The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R100075","The Canadian Mineralogist","2011","49","","1055","1064","10.3749/canmin.49.4.1055","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015234","5.29","","5.29","","10.4217","","90","","90","","90","","291.642","","","","","","","","","","","","Palabora mine, South Africa","3","I -4 2 d","I -4 2bw","122","","","Chalcopyrite","- Cu Fe S2 -","- Cu4 Fe4 S8 -","- Cu4 Fe4 S8 -","","","","Knight, K. S.; Marshall, W. G.; Zochowski, S. W.","The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 300 K","The Canadian Mineralogist","2011","49","","1015","1034","10.3749/canmin.49.4.1015","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015238","32.11","","19.77","","7.23","","90","","95.85","","90","","4565.81","","","","","","","","","","","","Murun massif in Yakutia, Sakha Republic, Siberia, Russia","8","P 1 21/m 1","-P 2yb","11","","","Charoite","- Ca12 F H1.82 K6.58 Na3.66 O91.41 Si35 Sr0.69 -","- Ca12 F H1.82 K6.58 Na3.66 O91.41 Si35 Sr0.69 -","- Ca24 F2 H3.64 K13.16 Na7.32 O182.82 Si70 Sr1.38 -","2","0.5","","Rozhdestvenskaya, I. V.; Mugnaioli, E.; Czank, M.; Depmeier, W.; Kolb, U.; Merlino, S.","Essential features of the polytypic charoite-96 structure compared to charoite-90 Note: This structure is polytype charoite-96","Mineralogical Magazine","2011","75","","2833","2846","10.1180/minmag.2011.075.6.2833","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015248","10.359","","10.359","","37.0857","","90","","90","","120","","3446.46","","","","","","","","","","","","Palermo #1 quarry, New Hampshire, USA","8","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Al0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7 -","- Al0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7 -","- Al0.12 Ca54 Fe2.1 H6 Mg3.72 Mn0.12 O168 P42 -","6","0.333333","","Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.","Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds","The Canadian Mineralogist","2011","49","","1065","1078","10.3749/canmin.49.4.1065","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015251","10.5384","","10.7452","","5.7577","","90","","90","","90","","651.986","","","","","","","","","","","","Tsumeb, Namibia","3","C m c 21","C 2c -2","36","","","Plumboselite","- O5 Pb3 Se -","- O20 Pb12 Se4 -","- O20 Pb12 Se4 -","","","","Kampf, A. R.; Mills, S. J.; Pinch, W. W.","Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia","Mineralogy and Petrology","2011","101","","75","80","10.1007/s00710-010-0137-3","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015253","7.4328","","5.6595","","18.8181","","90","","101.353","","90","","776.112","","","","","","","","","","","","Kangerdluarssuk, Ilimaussaq, Greenland","14","P 1 21/c 1","-P 2ybc","14","","","Rinkite","- Ca3.48 Ce0.5 F2.6 La0.18 Na2.28 Nb0.33 Nd0.24 O15.4 Pr0.06 Si4 Sm0.04 Ti0.64 Y0.1 Zr0.03 -","- Ca3.48 Ce0.5 F2.6 La0.18 Na2.28 Nb0.33 Nd0.24 O15.4 Pr0.06 Si4 Sm0.04 Ti0.64 Y0.1 Zr0.03 -","- Ca6.96 Ce F5.2 La0.36 Na4.56 Nb0.66 Nd0.48 O30.8 Pr0.12 Si8 Sm0.08 Ti1.28 Y0.2 Zr0.06 -","2","0.5","","Camara, F.; Sokolova, E.; Hawthorne, F. C.","From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 1991c","Mineralogical Magazine","2011","75","","2755","2774","10.1180/minmag.2011.075.6.2755","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015309","7.803","","4.382","","8.366","","90","","118.7","","90","","250.913","","","","","","","","","","","","Ellora Caves, India","2","P 1 21/c 1","-P 2ybc","14","","","Cristobalite II","- O2 Si -","- O16 Si8 -","- O16 Si8 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 10.1 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015314","9.7614","","13.6666","","9.6049","","90","","90","","90","","1281.34","","","","","","","","","","","","Pune, India","5","P c m n","-P 2n 2ac","62","","","Cavansite","- Ca H8 O15 Si4 V -","- Ca H8 O15 Si4 V -","- Ca4 H32 O60 Si16 V4 -","4","0.5","","Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G.","The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 296 K","The Canadian Mineralogist","2011","49","","1267","1272","10.3749/canmin.49.5.1267","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015326","11.98","","11.98","","11.98","","90","","90","","90","","1719.37","","","","","","","","","","","","Northwest Africa 1934 CV3 carbonaceous chondrite","4","I -4 3 d","I -4bd 2c 3","220","","","Brearleyite","- Al7 Ca6.66 Cl1.11 O16 -","- Al28 Ca26.64 Cl4.44 O64 -","- Al28 Ca26.64 Cl4.44 O64 -","","","","Ma, C.; Connolly, H. C.; Beckett, J. R.; Tschauner, O.; Rossman, G. R.; Kampf, A. R.; Zega, T. J.; Sweeney Smith, S. A.; Schrader, D. L.","Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite","American Mineralogist","2011","96","","1199","1206","10.2138/am.2011.3755","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015347","15.8399","","15.8399","","7.103","","90","","90","","120","","1543.4","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.251 B3 Ca0.638 F0.666 Fe0.132 H3.333 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.333 Pb0.006 Si6 Ti0.006 -","- Al21.753 B9 Ca1.914 F1.998 Fe0.396 H9 Li4.698 Mg0.045 Mn0.09 Na0.852 O90.999 Pb0.018 Si18 Ti0.018 -","- Al21.753 B9 Ca1.914 F1.998 Fe0.396 H9 Li4.698 Mg0.045 Mn0.09 Na0.852 O90.999 Pb0.018 Si18 Ti0.018 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L21, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015383","6.6798","","5.4208","","3.5466","","90","","93.245","","90","","128.216","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","Parasibirskite","- B Ca H O3 -","- B2 Ca2 H2 O6 -","- B2 Ca2 H2 O6 -","","","","Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.","Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K","The Canadian Mineralogist","2011","49","","823","834","10.3749/canmin.49.3.823","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015388","6.2695","","8.0195","","6.362","","90","","111.96","","90","","296.662","","","","","","","","","","","","Tolbachik volcano, Kamchatka Peninsula, Russia","5","P 1 21/c 1","-P 2ybc","14","","","Pseudolyonsite","- Cu2.64 Mo0.04 O8 V1.94 Zn0.36 -","- Cu5.28 Mo0.08 O16 V3.88 Zn0.72 -","- Cu5.28 Mo0.08 O16 V3.88 Zn0.72 -","","","","Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Boldyreva, M. M.; Pushcharovsky, D. Y.; Nekrasov, A. N.","Pseudolyonsite, Cu3(VO4)2, a new mineral species from the Tolbachik volcano, Kamchatka Peninsula, Russia","European Journal of Mineralogy","2011","23","","475","481","10.1127/0935-1221/2011/0023-2101","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015391","20.3459","","7.0119","","5.3879","","90","","94.874","","90","","765.877","","","","","","","","","","","","Esquire #8 claim, Big Creek, eastern Fresno County, California, USA","6","C 1 2/m 1","-C 2y","12","","","Ferroericssonite","- Ba Cl0.23 Fe3 H0.77 O8.77 Si2 -","- Ba Cl0.23 Fe3 H0.77 O8.77 Si2 -","- Ba4 Cl0.92 Fe12 H3.08 O35.08 Si8 -","4","0.5","","Kampf, A. R.; Roberts, A. C.; Venance, K. E.; Dunning, G. E.; Walstrom, R. E.","Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A.","The Canadian Mineralogist","2011","49","","587","594","10.3749/canmin.49.2.587","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015392","7.894","","4.456","","8.582","","90","","119.7","","90","","262.22","","","","","","","","","","","","Ellora Caves, India","2","P 1 21/c 1","-P 2ybc","14","","","Cristobalite II","- O2 Si -","- O16 Si8 -","- O16 Si8 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.4 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015393","11.469","","11.469","","11.469","","90","","90","","90","","1508.61","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 423.3 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015419","6.0861","","6.0861","","3.681","","90","","90","","120","","118.08","","","","","","","","","","","","Strange Lake deposit, Quebec-Labrador, Canada","10","P 63/m","-P 6c","176","","","Gagarinite-(Ce)","- Ca0.45 Ce0.275 Dy0.006 F3 Gd0.033 La0.143 Na0.45 Nd0.099 Sm0.011 Y0.044 -","- Ca0.9 Ce0.55 Dy0.012 F6 Gd0.066 La0.286 Na0.9 Nd0.198 Sm0.022 Y0.088 -","- Ca0.9 Ce0.55 Dy0.012 F6 Gd0.066 La0.286 Na0.9 Nd0.198 Sm0.022 Y0.088 -","","","","Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Roberts, A. C.; Grice, J. D.","The single-crystal X-ray structure of gagarinite-(Ce)","The Canadian Mineralogist","2011","49","","1111","1114","10.3749/canmin.49.4.1111","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015423","15.8343","","15.8343","","7.1012","","90","","90","","120","","1541.91","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.296 B3 Ca0.682 F0.669 Fe0.045 H3.33 Li1.626 Mn0.027 Na0.248 O30.33 Pb0.009 Si6 Ti0.003 -","- Al21.888 B9 Ca2.046 F2.007 Fe0.135 H9 Li4.878 Mn0.081 Na0.744 O90.99 Pb0.027 Si18 Ti0.009 -","- Al21.888 B9 Ca2.046 F2.007 Fe0.135 H9 Li4.878 Mn0.081 Na0.744 O90.99 Pb0.027 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015424","5.3815","","5.3846","","12.2034","","91.364","","101.11","","91.525","","346.72","","","","","","","","","","","","Grand Reef mine, Aravaipa mining district, Arizona, USA","4","P -1","-P 1","2","","","Calcioaravaipaite","- Al Ca2 F9 Pb -","- Al2 Ca4 F18 Pb2 -","- Al2 Ca4 F18 Pb2 -","","","","Kampf, A. R.; Yang, H.; Downs, R. T.; Pinch, W. W.","The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite","American Mineralogist","2011","96","","402","407","10.2138/am.2011.3620","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015450","5.5038","","12.2665","","10.1055","","90","","95.559","","90","","679.038","","","","","","","","","","","","Pipji, Turtmann Valley, Switzerland","5","P 1 21/n 1","-P 2yn","14","","","Argandite","- As0.54 H8 Mn6.72 O16 V1.46 -","- As1.08 H16 Mn13.44 O32 V2.92 -","- As1.08 H16 Mn13.44 O32 V2.92 -","","","","Brugger, J.; Elliott, P.; Meisser, N.; Ansermet, S.","Argandite, Mn7(VO4)2(OH)8, the V analogue of allactite from the metamorphosed Mn ores at Pipji, Turtmann Valley, Switzerland","American Mineralogist","2011","96","","1894","1900","10.2138/am.2011.3841","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015452","5.4234","","7.131","","14.785","","98.442","","94.579","","90.009","","563.757","","","","","","","","","","","","Inagli massif, Yakutia, Russia","14","P -1","-P 1","2","","","Innelite","- Al0.02 Ba3.92 Ca0.1 Fe0.18 Mg0.14 Mn0.38 Na2.16 Nb0.02 O26 P0.82 S1.02 Si4 Sr0.08 Ti2.96 -","- Al0.02 Ba3.92 Ca0.1 Fe0.18 Mg0.14 Mn0.38 Na2.16 Nb0.02 O26 P0.82 S1.02 Si4 Sr0.08 Ti2.96 -","- Al0.02 Ba3.92 Ca0.1 Fe0.18 Mg0.14 Mn0.38 Na2.16 Nb0.02 O26 P0.82 S1.02 Si4 Sr0.08 Ti2.96 -","1","0.5","","Sokolova, E.; Camara, F.; Hawthorne, F. C.","From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-1T","Mineralogical Magazine","2011","75","","2495","2518","10.1180/minmag.2011.075.4.2495","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015454","11.496","","11.496","","11.496","","90","","90","","90","","1519.29","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 672.9 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015461","10.2114","","10.2114","","25.689","","90","","90","","120","","2319.79","","","","","","","","","","","","Nanling area, Hunan Province, China","8","R -3 m :H","-R 3 2""","166","","","Nanlingite","- As8 Ca4.362 F14 Fe2.032 Li1.42 Mg10.968 Na1.218 O24 -","- As24 Ca13.086 F42 Fe6.096 Li4.26 Mg32.904 Na3.654 O72 -","- As24 Ca13.086 F42 Fe6.096 Li4.26 Mg32.904 Na3.654 O72 -","","","","Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E.","Crystal structure of nanlingite - the first mineral with a [Fe(AsO3)6] configuration","European Journal of Mineralogy","2011","23","","63","71","10.1127/0935-1221/2011/0023-2075","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015471","6.9349","","25.1737","","11.2195","","90","","90","","90","","1958.67","","","","","","","","","","","","Mono Lake, California, USA","6","P m n b","-P 2bc 2a","62","","","Hazenite","- H28 K Mg2 Na O22 P2 -","- H28 K Mg2 Na O22 P2 -","- H112 K4 Mg8 Na4 O88 P8 -","4","0.5","","Yang, H.; Sun, H. J.; Downs, R. T.","Hazenite, KNaMg2(PO4)2*14H2O, a new biologically related phosphate mineral, from Mono Lake, California, U.S.A.","American Mineralogist","2011","96","","675","681","10.2138/am.2011.3668","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015480","11.5244","","11.5244","","11.5244","","90","","90","","90","","1530.58","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 922.9 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015486","5.323","","5.323","","7.27","","90","","90","","120","","178.393","","","","","","","","","","","","Sassomorello, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924 -","- Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924 -","- Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924 -","","","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A.","The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: sample Sassomorello, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015535","15.8337","","15.8337","","7.1023","","90","","90","","120","","1542.04","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.286 Li1.557 Mn0.03 Na0.282 O30.286 Pb0.009 Si6 Ti0.006 -","- Al21.888 B9 Ca1.935 F2.142 Fe0.027 H9 Li4.671 Mn0.09 Na0.846 O90.858 Pb0.027 Si18 Ti0.018 -","- Al21.888 B9 Ca1.935 F2.142 Fe0.027 H9 Li4.671 Mn0.09 Na0.846 O90.858 Pb0.027 Si18 Ti0.018 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L17, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015549","5.7577","","8.7169","","10.2682","","78.152","","75.817","","89.861","","488.377","","","","","","","","","","","","Palomo mine, Castrovirreyna Province, Huancavelica Department, Peru","2","P -1","-P 1","2","","","Anorpiment","- As2 S3 -","- As8 S12 -","- As8 S12 -","","","","Kampf, A. R.; Downs, R. T.; Housley, R. M.; Jenkins, R. A.; Hyrsl, J.","Anorpiment, As2S3, the triclinic dimorph of orpiment","Mineralogical Magazine","2011","75","","2857","2867","10.1180/minmag.2011.075.6.2857","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015565","13.203","","4.186","","15.28","","90","","109.164","","90","","797.692","","","","","","","","","","","","Zalesi uranium deposit, northern Moravia, Czech Republic","4","P 1 21/m 1","-P 2yb","11","","","Litochlebite","- Ag2 Bi4 Pb Se8 -","- Ag4 Bi8 Pb2 Se16 -","- Ag4 Bi8 Pb2 Se16 -","","","","Sejkora, J.; Makovicky, E.; Topa, D.; Putz, H.; Zagler, G.; Pasil, J.","Litochlebite, Ag2PbBi4Se8, a new selenide mineral species from Zalesi, Czech Republic: description and crystal structure","The Canadian Mineralogist","2011","49","","639","650","10.3749/canmin.49.2.639","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015580","5.3234","","5.3234","","7.2721","","90","","90","","120","","178.471","","","","","","","","","","","","Pompeano, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896 -","- Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896 -","- Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896 -","","","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A.","The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 3, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015587","15.8548","","15.8548","","7.1099","","90","","90","","120","","1547.8","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.173 B3 Ca0.517 F0.588 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003 -","- Al21.519 B9 Ca1.551 F1.764 Fe0.27 H9 Li4.185 Mg0.306 Mn0.702 Na1.158 O91.233 Pb0.063 Si18 Ti0.009 -","- Al21.519 B9 Ca1.551 F1.764 Fe0.27 H9 Li4.185 Mg0.306 Mn0.702 Na1.158 O91.233 Pb0.063 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L4, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015598","5.8505","","9.0421","","13.9173","","90","","100.42","","90","","724.095","","","","","","","","","","","","Su Senargiu, Sardinia, Italy","4","P 1 21/n 1","-P 2yn","14","","","Gelosaite","- Bi H3 Mo2.102 O9 -","- Bi H3 Mo2.102 O9 -","- Bi4 H12 Mo8.408 O36 -","4","1","","Orlandi, P.; Demartin, F.; Pasero, M.; Leverett, P.; Williams, P. A.; Hibbs, D. E.","Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)*H2O (0<=x<=0.4), a new mineral from Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate, New England, Australia","American Mineralogist","2011","96","","268","273","10.2138/am.2011.3597","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9015603","15.8337","","15.8337","","7.1023","","90","","90","","120","","1542.04","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.285 Li1.557 Mn0.03 Na0.282 O30.285 Pb0.009 Si6 Ti0.006 -","- Al21.888 B9 Ca1.935 F2.142 Fe0.027 H9 Li4.671 Mn0.09 Na0.846 O90.855 Pb0.027 Si18 Ti0.018 -","- Al21.888 B9 Ca1.935 F2.142 Fe0.027 H9 Li4.671 Mn0.09 Na0.846 O90.855 Pb0.027 Si18 Ti0.018 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L17, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015631","19.3462","","12.7251","","8.7472","","90","","90.017","","90","","2153.41","","","","","","","","","","","","Inakuraishi mine, Shakotan peninsula, Shiribeshi, Hokkaido Island, Japan","5","P 1 21/n 1","-P 2yn","14","","","Uchucchacuaite","- Ag1.041 Mn0.919 Pb3 S12 Sb5.041 -","- Ag4.164 Mn3.676 Pb12 S48 Sb20.164 -","- Ag4.164 Mn3.676 Pb12 S48 Sb20.164 -","","","","Yang, H.; Downs, R. T.; Evans, S. H.; Feinglos, M. N.; Tait, K. T.","Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R070760","American Mineralogist","2011","96","","1186","1189","10.2138/am.2011.3809","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015636","5.28563","","5.28563","","10.41917","","90","","90","","90","","291.09","","","","","","","","","","","","Palabora mine, South Africa","3","I -4 2 d","I -4 2bw","122","","","Chalcopyrite","- Cu Fe S2 -","- Cu4 Fe4 S8 -","- Cu4 Fe4 S8 -","","","","Knight, K. S.; Marshall, W. G.; Zochowski, S. W.","The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 4.2 K","The Canadian Mineralogist","2011","49","","1015","1034","10.3749/canmin.49.4.1015","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015678","15.8449","","15.8449","","7.1053","","90","","90","","120","","1544.87","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.209 B3 Ca0.583 F0.647 Fe0.015 H3.353 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.353 Pb0.006 Si6 Ti0.009 -","- Al21.627 B9 Ca1.749 F1.941 Fe0.045 H9 Li4.473 Mg0.18 Mn0.099 Na1.035 O91.059 Pb0.018 Si18 Ti0.027 -","- Al21.627 B9 Ca1.749 F1.941 Fe0.045 H9 Li4.473 Mg0.18 Mn0.099 Na1.035 O91.059 Pb0.018 Si18 Ti0.027 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L13, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015679","9.0453","","11.3337","","11.7372","","105.223","","97.383","","100.79","","1120.3","","","","","","","","","","","","West Sunday mine, Utah, USA","5","P -1","-P 1","2","","","Huemulite","- H47.44 Mg Na4 O51.72 V10 -","- H47.44 Mg Na4 O51.72 V10 -","- H47.44 Mg Na4 O51.72 V10 -","1","0.5","","Colombo, F.; Baggio, R.; Kampf, A. R.","The crystal structure of the elusive huemulite","The Canadian Mineralogist","2011","49","","849","864","10.3749/canmin.49.3.849","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015689","9.7518","","13.6854","","9.5965","","90","","90","","90","","1280.72","","","","","","","","","","","","Pune, India","5","P c m n","-P 2n 2ac","62","","","Cavansite","- Ca H8 O15 Si4 V -","- Ca H8 O15 Si4 V -","- Ca4 H32 O60 Si16 V4 -","4","0.5","","Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G.","The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 100 K","The Canadian Mineralogist","2011","49","","1267","1272","10.3749/canmin.49.5.1267","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015712","15.8438","","15.8438","","7.1043","","90","","90","","120","","1544.44","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.336 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.336 Pb0.007 Si6 Ti0.006 -","- Al21.42 B9 Ca1.83 F1.899 Fe0.36 H9 Li4.842 Mg0.171 Mn0.18 Na0.966 O91.008 Pb0.021 Si18 Ti0.018 -","- Al21.42 B9 Ca1.83 F1.899 Fe0.36 H9 Li4.842 Mg0.171 Mn0.18 Na0.966 O91.008 Pb0.021 Si18 Ti0.018 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L25, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015735","16.32","","8.7616","","4.5809","","90","","90","","90","","655.02","","","","","","","","","","","","Trentini mine, Mount Naro, Vicenza Province, Veneto, Italy","4","P n m a","-P 2ac 2n","62","","","Fassinaite","- C O6 Pb2 S2 -","- C4 O24 Pb8 S8 -","- C4 O24 Pb8 S8 -","","","","Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.","Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-01","Mineralogical Magazine","2011","75","","2721","2732","10.1180/minmag.2011.075.6.2721","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015755","3.7617","","16.9385","","17.3196","","90","","90","","90","","1103.56","","","","","","","","","","","","Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia","4","C m c m","-C 2c 2","63","","","Rusinovite","- Ca5 Cl O10.5 Si3 -","- Ca20 Cl4 O42 Si12 -","- Ca20 Cl4 O42 Si12 -","","","","Galuskin, E. V.; Galuskina, I. O.; Lazic, B.; Armbruster, T.; Zadov, A. E.; Krzykawski, T.; Banasik, K.; Gazeev, V. M.; Pertsev, N. N.","Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia","European Journal of Mineralogy","2011","23","","837","844","10.1127/0935-1221/2011/0023-2160","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015758","15.8333","","15.8333","","7.1025","","90","","90","","120","","1542","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.272 B3 Ca0.614 F0.633 Fe0.156 H3.366 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.366 Pb0.006 Si6 Ti0.018 -","- Al21.816 B9 Ca1.842 F1.899 Fe0.468 H9 Li4.446 Mg0.054 Mn0.171 Na0.933 O91.098 Pb0.018 Si18 Ti0.054 -","- Al21.816 B9 Ca1.842 F1.899 Fe0.468 H9 Li4.446 Mg0.054 Mn0.171 Na0.933 O91.098 Pb0.018 Si18 Ti0.054 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L27, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015786","5.8618","","12.7854","","5.7025","","90","","109.425","","90","","403.049","","","","","","","","","","","","the Maria Catalina mine, Tierra Amarilla, Chile","5","P 1 21/c 1","-P 2ybc","14","","","Rruffite","- As2 Ca2 Cu H4 O10 -","- As4 Ca4 Cu2 H8 O20 -","- As4 Ca4 Cu2 H8 O20 -","","","","Yang, H.; Jenkins, R. A.; Downs, R. T.; Evans, S. H.; Tait, K. T.","Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile","The Canadian Mineralogist","2011","49","","877","884","10.3749/canmin.49.3.877","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015789","5.9306","","5.9306","","5.9306","","90","","90","","90","","208.591","","","","","","","","","","","","Kupol&#x0092;noe deposit, Sarychev range, Sakha Republic, Russian Federation","2","F m -3 m","-F 4 2 3","225","","","Fluorocronite","- F2 Pb -","- F8 Pb4 -","- F8 Pb4 -","","","","Mills, S. J.; Kartashov, P. M.; Gamyanin, G. N.; Whitfield, P. S.; Kern, A.; Guerault, H.; Kampf, A. R.; Raudsepp, M.","Fluorocronite, the natural analogue of beta-PbF2, from the Sakha Republic, Russian Federation","European Journal of Mineralogy","2011","23","","695","700","10.1127/0935-1221/2011/0023-2136","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015791","4.908","","4.908","","6.784","","90","","90","","90","","163.416","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.6 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015793","13.395","","27.016","","5.2765","","90","","90","","90","","1909.46","","","","","","","","","","","","Germany","4","P n c n","-P 2ab 2n","52","","","Sepiolite","- H13.64 Mg4 O22.82 Si6 -","- H13.64 Mg4 O22.82 Si6 -","- H54.56 Mg16 O91.28 Si24 -","4","0.5","","Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G.","Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction","European Journal of Mineralogy","2011","23","","449","466","10.1127/0935-1221/2011/0023-2105","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015798","12.07899","","12.07899","","7.583467","","90","","90","","90","","1106.44","","","","","","","","","","","","Lake Clear, Ontario, Canada","11","P 42/n :2","-P 4bc","86","","","Marialite","- C0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016 -","- C0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016 -","- C0.818 Al8 Ca2.704 Cl1.1 Fe0.024 K0.32 Na4.376 O50.776 S0.08 Si16 Sr0.032 -","2","0.25","","Antao, S. M.; Hassan, I.","Complete Al-Si order in scapolite Me37.5, ideally Ca3Na5[Al8Si16O48]Cl(CO3), and implications for antiphase domain boundaries (APBs)","The Canadian Mineralogist","2011","49","","581","586","10.3749/canmin.49.2.581","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015848","15.8306","","15.8306","","7.0999","","90","","90","","120","","1540.91","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.239 B3 Ca0.683 F0.639 Fe0.063 H3.36 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.36 Pb0.006 Si6 Ti0.003 -","- Al21.717 B9 Ca2.049 F1.917 Fe0.189 H9 Li4.896 Mg0.081 Mn0.108 Na0.741 O91.08 Pb0.018 Si18 Ti0.009 -","- Al21.717 B9 Ca2.049 F1.917 Fe0.189 H9 Li4.896 Mg0.081 Mn0.108 Na0.741 O91.08 Pb0.018 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L22, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015850","15.8438","","15.8438","","7.1043","","90","","90","","120","","1544.44","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.337 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.337 Pb0.007 Si6 Ti0.006 -","- Al21.42 B9 Ca1.83 F1.899 Fe0.36 H9 Li4.842 Mg0.171 Mn0.18 Na0.966 O91.011 Pb0.021 Si18 Ti0.018 -","- Al21.42 B9 Ca1.83 F1.899 Fe0.36 H9 Li4.842 Mg0.171 Mn0.18 Na0.966 O91.011 Pb0.021 Si18 Ti0.018 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L25, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015890","15.8456","","15.8456","","7.1066","","90","","90","","120","","1545.29","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.188 B3 Ca0.628 F0.702 Fe0.021 H5.97 Li1.584 Mn0.207 Na0.297 O32.97 Pb0.023 Si6 -","- Al21.564 B9 Ca1.884 F2.106 Fe0.063 H9 Li4.752 Mn0.621 Na0.891 O98.91 Pb0.069 Si18 -","- Al21.564 B9 Ca1.884 F2.106 Fe0.063 H9 Li4.752 Mn0.621 Na0.891 O98.91 Pb0.069 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L5, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015895","6.8155","","6.9363","","12.8904","","90.652","","97.659","","98.195","","597.495","","","","","","","","","","","","the Birkhin gabbro massif, Eastern Siberia, Russia","4","P -1","-P 1","2","","","Dellaite","- Ca6 H2 O13 Si3 -","- Ca12 H4 O26 Si6 -","- Ca12 H4 O26 Si6 -","","","","Armbruster, T.; Lazic, B.; Gfeller, F.; Galuskin, E. V.; Galuskina, I. O.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P.","Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-free dellaite","Mineralogical Magazine","2011","75","","379","394","10.1180/minmag.2011.075.2.379","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015898","4.1304","","4.1304","","8.4749","","90","","90","","120","","125.213","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Vaterite","- C Ca O3 -","- C1.99998 Ca2 O5.99994 -","- C1.99998 Ca2 O5.99994 -","","","","Le Bail, A.; Ouhenia, S.; Chateigner, D.","Microtwinning hypothesis for a more ordered vaterite model Note: Kamhi (1963) model, not preferred","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015909","3.5624","","9.5225","","8.6231","","90","","119.452","","90","","254.718","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Sibirskite","- B Ca H O3 -","- B4 Ca4 H4 O12 -","- B4 Ca4 H4 O12 -","","","","Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.","Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K","The Canadian Mineralogist","2011","49","","823","834","10.3749/canmin.49.3.823","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015915","15.8286","","15.8286","","7.1012","","90","","90","","120","","1540.8","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.293 B3 Ca0.684 F0.711 Fe0.039 H3.288 Li1.62 Mn0.048 Na0.238 O30.288 Pb0.013 Si6 -","- Al21.879 B9 Ca2.052 F2.133 Fe0.117 H9 Li4.86 Mn0.144 Na0.714 O90.864 Pb0.039 Si18 -","- Al21.879 B9 Ca2.052 F2.133 Fe0.117 H9 Li4.86 Mn0.144 Na0.714 O90.864 Pb0.039 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L24, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015987","15.8363","","15.8363","","7.104","","90","","90","","120","","1542.91","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.224 B3 Ca0.636 F0.709 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003 -","- Al21.672 B9 Ca1.908 F2.127 Fe0.135 H9 Li4.779 Mg0.009 Mn0.405 Na0.846 O90.873 Pb0.06 Si18 Ti0.009 -","- Al21.672 B9 Ca1.908 F2.127 Fe0.135 H9 Li4.779 Mg0.009 Mn0.405 Na0.846 O90.873 Pb0.06 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L7, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015988","13.271","","27.072","","5.2748","","90","","90","","90","","1895.09","","","","","","","","","","","","Synthetic","6","P n c n","-P 2ab 2n","52","","","Sepiolite","- C1.083 H5.48 Mg2 N0.136 O11.376 Si3 -","- C1.0834 H5.48 Mg2 N0.1356 O11.3756 Si3 -","- C8.6672 H43.84 Mg16 N1.0848 O91.0048 Si24 -","8","1","","Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G.","Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction Note: Sepiolite with indigo forming Maya Blue","European Journal of Mineralogy","2011","23","","449","466","10.1127/0935-1221/2011/0023-2105","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9015996","15.8303","","15.8303","","7.1017","","90","","90","","120","","1541.24","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.308 B3 Ca0.691 F0.679 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003 -","- Al21.924 B9 Ca2.073 F2.037 Fe0.162 H9 Li4.833 Mg0.009 Mn0.072 Na0.702 O90.963 Pb0.018 Si18 Ti0.009 -","- Al21.924 B9 Ca2.073 F2.037 Fe0.162 H9 Li4.833 Mg0.009 Mn0.072 Na0.702 O90.963 Pb0.018 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L20, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016030","5.4203","","5.4203","","5.4203","","90","","90","","90","","159.247","","","","","","","","","","","","Gregory Rift, northern Tanzania","12","F m -3 m","-F 4 2 3","225","","","Cerianite-(Ce)","- Ce0.62 Dy0.02 Er0.01 F0.24 Gd0.02 La0.03 Nd0.06 O1.68 Pr0.01 Sm0.01 Y0.2 Yb0.02 -","- Ce0.62 Dy0.02 Er0.01 F0.24 Gd0.02 La0.03 Nd0.06 O1.68 Pr0.01 Sm0.01 Y0.2 Yb0.02 -","- Ce2.48 Dy0.08 Er0.04 F0.96 Gd0.08 La0.12 Nd0.24 O6.72 Pr0.04 Sm0.04 Y0.8 Yb0.08 -","4","0.0208333","","Zaitsev, A. N.; Chakhmouradian, A. R.; Siidra, O. I.; Spratt, J.; Williams, C. T.; Stanley, C. J.; Petrov, S. V.; Britvin, S. N.; Polyakova, E. A.","Fluorine-, yttrium- and lanthanide-rich cerianite-(Ce) from carbonatitic rocks of the Kerimasi volcano and surrounding explosion craters, Gregory Rift, northern Tanzania","Mineralogical Magazine","2011","75","","2813","2822","10.1180/minmag.2011.075.6.2813","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9016037","15.8299","","15.8299","","7.1009","","90","","90","","120","","1540.99","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.317 B3 Ca0.695 F0.678 Fe0.057 H3.322 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.322 Pb0.007 Si6 Ti0.003 -","- Al21.951 B9 Ca2.085 F2.034 Fe0.171 H9 Li4.707 Mg0.063 Mn0.099 Na0.72 O90.966 Pb0.021 Si18 Ti0.009 -","- Al21.951 B9 Ca2.085 F2.034 Fe0.171 H9 Li4.707 Mg0.063 Mn0.099 Na0.72 O90.966 Pb0.021 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L23, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016050","5.3263","","5.3263","","7.2885","","90","","90","","120","","179.069","","","","","","","","","","","","Santa Scolastica, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 -","- Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 -","- Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 -","","","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.","The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: sample Santa Scolastica, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016054","14.2999","","14.4408","","14.769","","90","","90","","90","","3049.83","","","","","","","","","","","","Kahn Bogdo, Mongolia","6","C m c a","-C 2ac 2","64","","","Elpidite-Rb","- H1.816 Na0.06 O15.908 Rb1.769 Si6 Zr -","- H1.816 Na0.06 O15.908 Rb1.769 Si6 Zr -","- H14.528 Na0.48 O127.264 Rb14.152 Si48 Zr8 -","8","","","Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.","Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 150 deg C","Crystallography Reports","2011","56","","832","841","10.1134/S1063774511050117","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9016060","15.8636","","15.8636","","7.1119","","90","","90","","120","","1549.96","","","","","","","","","","","","Anjanabonoina, central Madagascar","13","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.239 B3 Ca0.487 F0.708 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003 -","- Al21.717 B9 Ca1.461 F2.124 Fe0.333 H9 Li3.861 Mn1.089 Na1.305 O90.873 Pb0.066 Si18 Ti0.009 -","- Al21.717 B9 Ca1.461 F2.124 Fe0.333 H9 Li3.861 Mn1.089 Na1.305 O90.873 Pb0.066 Si18 Ti0.009 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L1, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016074","7.5984","","7.5984","","15.557","","90","","90","","120","","777.859","","","","","","","","","","","","Synthetic","4","P -3 m 1","-P 3 2""","164","","","Fettelite","- Ag17.742 As3.552 S15 Sb0.448 -","- Ag17.742 As3.552 S15 Sb0.448 -","- Ag17.742 As3.552 S15 Sb0.448 -","","","","Bindi, L.; Menchetti, S.","Fast ion conduction character and ionic phase-transition in silver sulfosalts: The case of fettelite [Ag6As2S7][Ag10HgAs2S8] Note: T = 400 K","American Mineralogist","2011","96","","792","796","10.2138/am.2011.3736","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016135","7.127","","8.842","","6.773","","90","","93.21","","90","","426.144","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian Islands, Italy","3","P 1 21/a 1","-P 2yab","14","","","Clinometaborite","- B H O2 -","- B12 H12 O24 -","- B12 H12 O24 -","","","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.","Clinometaborite, natural beta-metaboric acid, from La Fossa Crater, Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2011","49","","1273","1279","10.3749/canmin.49.5.1273","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016136","8.4665","","7.9552","","8.2297","","90","","103.746","","90","","538.417","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- B O8 P Th2 -","- B4 O32 P4 Th8 -","- B4 O32 P4 Th8 -","","","","Lipp, C.; Burns, P. C.","Th2[BO4][PO4]: a rare example of an actinide borate-phosphate","The Canadian Mineralogist","2011","49","","1211","1220","10.3749/canmin.49.5.1211","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016147","5.3261","","5.3261","","7.273","","90","","90","","120","","178.675","","","","","","","","","","","","Varana, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 -","- Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 -","- Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 -","","","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.","The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 2, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016161","3.09552","","3.09552","","23.5042","","90","","90","","120","","195.049","","","","","","","","","","","","Tasmania, Australia","5","R -3 m :H","-R 3 2""","166","","","Stichtite","- C0.118 H3.224 Cr0.23 Mg0.77 O2.966 -","- C0.118 H3.224 Cr0.23 Mg0.77 O2.966 -","- C0.354 H9.672 Cr0.69 Mg2.31 O8.898 -","3","0.0833333","","Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A.","The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: 3R1 polytype of stichtite","American Mineralogist","2011","96","","179","187","10.2138/am.2011.3531","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016163","7.88","","4.726","","10.29","","90","","109.04","","90","","362.244","","","","","","","","","","","","Perovskitovaya Kop', Chuvashskie Mountains, Southern Urals, Russia","6","P 1 21/c 1","-P 2ybc","14","","","Hydroxylchondrodite","- F0.24 H1.32 Mg4.7 O9.76 Si2 Ti0.3 -","- F0.24 H1.32 Mg4.7 O9.76 Si2 Ti0.3 -","- F0.48 H2.64 Mg9.4 O19.52 Si4 Ti0.6 -","2","0.5","","Pekov, I. V.; Gerasimova, E. I.; Chukanov, N. V.; Kabalov, Y. K.; Zubkova, N. V.; Zadov, A. E.; Yapaskurt, V. O.; Gekimyants, V. M.; Pushcharovskii, D. Y.","Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group and its crystal structure","Doklady Akademii Nauk","2011","436","","526","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016171","16.343","","8.76","","4.592","","90","","90","","90","","657.412","","","","","","","","","","","","Erasmus adit, Schwarzleo District, Leogang, Salzburg, Austria","4","P n m a","-P 2ac 2n","62","","","Fassinaite","- C O6 Pb2 S2 -","- C4 O24 Pb8 S8 -","- C4 O24 Pb8 S8 -","","","","Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.","Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-02","Mineralogical Magazine","2011","75","","2721","2732","10.1180/minmag.2011.075.6.2721","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016176","15.8248","","15.8248","","7.0993","","90","","90","","120","","1539.65","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.257 B3 Ca0.696 F0.668 Fe0.03 H3.332 Li1.68 Mn0.033 Na0.228 O30.332 Pb0.01 Si6 -","- Al21.771 B9 Ca2.088 F2.004 Fe0.09 H9 Li5.04 Mn0.099 Na0.684 O90.996 Pb0.03 Si18 -","- Al21.771 B9 Ca2.088 F2.004 Fe0.09 H9 Li5.04 Mn0.099 Na0.684 O90.996 Pb0.03 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L15, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016225","8.011","","4.544","","8.89","","90","","121","","90","","277.391","","","","","","","","","","","","Ellora Caves, India","2","P 1 21/c 1","-P 2ybc","14","","","Cristobalite II","- O2 Si -","- O16 Si8 -","- O16 Si8 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 4.9 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016226","10.12","","10.12","","14.298","","90","","90","","120","","1268.14","","","","","","","","","","","","Kloch volcano, Bad Radkersburg district, Styria, Austria","7","P 6/m c c","-P 6 2c","192","","","Klochite","- Fe1.74 K0.81 Mn0.26 Na0.35 O30 Si12 Zn2.79 -","- Fe1.74 K0.81 Mn0.26 Na0.35 O30 Si12 Zn2.79 -","- Fe3.48 K1.62 Mn0.52 Na0.7 O60 Si24 Zn5.58 -","2","0.0833333","","Bojar, H. P.; Walter, F.; Hauzenberger, C.; Postl, W.","Klochite, K_2(Fe2+Fe3+)Zn3[Si12O30], a new milarite-type mineral species from the Kloch volcano, Styria, Austria","The Canadian Mineralogist","2011","49","","1115","1124","10.3749/canmin.49.4.1115","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016236","7.4263","","5.6774","","18.8261","","90","","101.39","","90","","778.115","","","","","","","","","","","","Yuskpor Mt., Khibiny, Kola, Russia","18","P 1 21/c 1","-P 2ybc","14","","","Rinkite","- Ba0.02 Ca3.58 Ce0.46 Dy0.02 F2.82 Gd0.02 La0.18 Na2.2 Nb0.12 Nd0.18 O15.18 Pr0.06 Si4 Sm0.04 Sr0.14 Ti0.85 Y0.12 Zr0.03 -","- Ba0.02 Ca3.58 Ce0.46 Dy0.02 F2.82 Gd0.02 La0.18 Na2.2 Nb0.12 Nd0.18 O15.18 Pr0.06 Si4 Sm0.04 Sr0.14 Ti0.85 Y0.12 Zr0.03 -","- Ba0.04 Ca7.16 Ce0.92 Dy0.04 F5.64 Gd0.04 La0.36 Na4.4 Nb0.24 Nd0.36 O30.36 Pr0.12 Si8 Sm0.08 Sr0.28 Ti1.7 Y0.24 Zr0.06 -","2","0.5","","Camara, F.; Sokolova, E.; Hawthorne, F. C.","From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample YuksFe","Mineralogical Magazine","2011","75","","2755","2774","10.1180/minmag.2011.075.6.2755","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016243","13.668","","5.6601","","11.743","","90","","113.64","","90","","832.229","","","","","","","","","","","","Dellen pumice quarry, Eifel Mountains, Rhineland-Palatinate, Germany","9","P 1 21/a 1","-P 2yab","14","","","Perrierite-(La)","- Al0.5 Ca0.6 Fe La3.4 Mn0.5 Nb0.5 O22 Si4 Ti2.5 -","- Al Ca1.2 Fe2 La6.8 Mn Nb O44 Si8 Ti5 -","- Al Ca1.2 Fe2 La6.8 Mn Nb O44 Si8 Ti5 -","","","","Chukanov, N. V.; Blass, G.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Rastsvetaeva, R. K.; Aksenov, S. M.","Perrierite-(La) (La,Ce,Ca)4Fe2+(Ti,Fe)4(Si2O7)2O8 - a new mineral species from volcanic region Eifel, Germany","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2011","140","","34","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016249","4.599","","4.599","","6.13","","90","","90","","90","","129.654","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 9.1 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016250","15.8248","","15.8248","","7.0993","","90","","90","","120","","1539.65","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.257 B3 Ca0.696 F0.666 Fe0.03 H3.333 Li1.68 Mn0.033 Na0.228 O30.333 Pb0.01 Si6 -","- Al21.771 B9 Ca2.088 F1.998 Fe0.09 H9 Li5.04 Mn0.099 Na0.684 O90.999 Pb0.03 Si18 -","- Al21.771 B9 Ca2.088 F1.998 Fe0.09 H9 Li5.04 Mn0.099 Na0.684 O90.999 Pb0.03 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L15, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016276","15.8418","","15.8418","","7.1044","","90","","90","","120","","1544.07","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.304 Li1.605 Mn0.18 Na0.288 O30.304 Pb0.023 Si6 -","- Al21.582 B9 Ca1.923 F2.088 Fe0.063 H9 Li4.815 Mn0.54 Na0.864 O90.912 Pb0.069 Si18 -","- Al21.582 B9 Ca1.923 F2.088 Fe0.063 H9 Li4.815 Mn0.54 Na0.864 O90.912 Pb0.069 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L6, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016284","9.576","","9.577","","16.438","","85.85","","75.23","","60.142","","1261.54","","","","","","","","","","","","Ariskop quarry, Aris alkaline complex, Namibia","5","P -1","-P 1","2","","","Ellingsenite","- Ca5.1 H3.92 Na3.62 O43.96 Si16 -","- Ca5.1 H3.92 Na3.62 O43.96 Si16 -","- Ca5.1 H3.92 Na3.62 O43.96 Si16 -","1","0.5","","Yakovenchuk, V. N.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Krivovichev, S. V.; Zolotarev, A. A.; Zalkind, O. A.","Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species from phonolite of the Aris alkaline complex, Namibia Note: This is reported as an incomplete structure","The Canadian Mineralogist","2011","49","","1165","1173","10.3749/canmin.49.5.1165","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016303","13.3317","","27.049","","5.2694","","90","","90","","90","","1900.19","","","","","","","","","","","","Grant County, New Mexico, USA","4","P n c n","-P 2ab 2n","52","","","Sepiolite","- H6 Mg3.864 O19 Si6 -","- H6 Mg3.864 O19 Si6 -","- H24 Mg15.456 O76 Si24 -","4","0.5","","Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G","Variability in sepiolite: Diffraction studies Note: Sample GRA225 Note: T = 225 C","American Mineralogist","2011","96","","1443","1454","10.2138/am.2011.3761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016331","18.7872","","6.7244","","10.4673","","90","","90.788","","90","","1322.24","","","","","","","","","","","","Birkhin gabbro massif, Eastern Siberia, Russia","5","P 1 21/c 1","-P 2ybc","14","","","Galuskinite","- C H0.218 Ca7 O15.109 Si3 -","- C H0.218 Ca7 O15.109 Si3 -","- C4 H0.872 Ca28 O60.436 Si12 -","4","1","","Lazic, B.; Armbruster, T.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P.","Galuskinite, Ca7(SiO4)3(CO3), a new skarn mineral from the Birkhin gabbro massif, Eastern Siberia, Russia","Mineralogical Magazine","2011","75","","2631","2648","10.1180/minmag.2011.075.5.2631","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016335","17.224","","17.687","","3.9361","","90","","90","","90","","1199.1","","","","","","","","","","","","Urubu pegmatite, Itinga, Minas Gerais, Brazil","6","C 2 2 2","C 2 2","21","","","Rankamaite","- Al0.6 K1.26 Na2.22 Nb1.29 O31 Ta9.11 -","- Al1.2 K2.52 Na4.44 Nb2.58 O62 Ta18.22 -","- Al1.2 K2.52 Na4.44 Nb2.58 O62 Ta18.22 -","","","","Atencio, D.; Contreira, R. R.; Mills, S. J.; Coutinho, J. M. V.; Honorato, S. B.; Ayala, A. P.; Ellena, J.; De Andrade, M. B.","Rankamaite from the Urubu pegmatite, Itinga, Minas Gerais, Brazil: Crystal chemistry and Rietveld refinement Note: Identification of OH not reported","American Mineralogist","2011","96","","1455","1460","10.2138/am.2011.3594","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016341","6.439","","7.999","","10.849","","85.78","","81.22","","85.05","","549.139","","","","","","","","","","","","Jachymov (St. Joachimsthal) ore district, Czech Republic","5","P -1","-P 1","2","","","Ondrusite","- As4 Ca Cu4 H22 O26 -","- As4 Ca Cu4 H22 O26 -","- As4 Ca Cu4 H22 O26 -","1","0.5","","Sejkora, J.; Plasil, J.; Veselovsky, F.; Cisarova, I.; Hlousek, J.","Ondrusite, CaCu4(AsO4)2(AsO3OH)2*10H2O, a new mineral species from the Jachymov ore district, Czech Republic: Description and crystal-structure determination","The Canadian Mineralogist","2011","49","","885","897","10.3749/canmin.49.3.885","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016345","15.903","","15.9118","","7.2304","","90.063","","89.793","","119.742","","1588.59","","","","","","","","","","","","Berezovskoe gold deposit, Middle Urals, Russia","12","P 1","P 1","1","","","Dravite","- Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031 -","- Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031 -","- Al17.04 B9 Cr0.945 Fe1.905 H9 Mg6.003 Na2.88 Ni0.474 O93 Si18 Ti0.117 V0.093 -","3","3","","Hughes, J. M.; Rakovan, J.; Ertl, A.; Rossman, G. R.; Baksheev, I.; Bernhardt, H.-J.","Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned triclinic Ni-bearing dravite","The Canadian Mineralogist","2011","49","","29","40","10.3749/canmin.49.1.29","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016383","11.476","","15.744","","7.228","","90","","90","","90","","1305.94","","","","","","","","","","","","Buranga pegmatite, Rwanda","7","I m c b","-I 2a 2","72","","","Bertossaite","- Al4 Ca0.87 H4 Li3.72 Na0.41 O20 P4 -","- Al16 Ca3.48 H16 Li14.88 Na1.64 O80 P16 -","- Al16 Ca3.48 H16 Li14.88 Na1.64 O80 P16 -","","","","Hatert, F.; Lefevre, P.; Fransolet, A. M.","The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4]","The Canadian Mineralogist","2011","49","","1079","1087","10.3749/canmin.49.4.1079","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016400","8.011","","4.544","","8.89","","90","","121","","90","","277.391","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","Cristobalite II","- O2 Si -","- O16 Si8 -","- O16 Si8 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 3.5 GPa, data transformed from Dove et al (2000)","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016403","4.746","","4.746","","6.445","","90","","90","","90","","145.171","","","","","","","","","","","","Ellora Caves, India","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.","New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 3.6 GPa","Physics and Chemistry of Minerals","2011","38","","Online","first","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016424","7.0567","","19.6905","","8.2219","","90","","106.961","","90","","1092.74","","","","","","","","","","","","Rotgulden, Lungau, Salzburg Land, Austria","5","P 1 21/c 1","-P 2ybc","14","","","Gustavite","- Ag0.986 Bi2.905 Pb S6 Sb0.109 -","- Ag3.944 Bi11.62 Pb4 S24 Sb0.436 -","- Ag3.944 Bi11.62 Pb4 S24 Sb0.436 -","","","","Makovicky, E.; Topa, D.","The crystal structure of gustavite, PbAgBi3S6 Analysis of twinning and polytypism using the OD approach","European Journal of Mineralogy","2011","23","","537","550","10.1127/0935-1221/2011/0023-2114","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016502","14.87","","6.9785","","9.9268","","90","","110.11","","90","","967.306","","","","","","","","","","","","Crosscut Creek, Yukon, Canada","8","P 1 2/a 1","-P 2ya","13","","","Whiteite","- Al2 Ca0.95 Fe0.9 H18 Mg2 Na0.11 O26 P4 -","- Al4.096 Ca1.9 Fe1.8 H36.668 Mg4.02 Na0.22 O52.328 P8 -","- Al4.096 Ca1.9 Fe1.8 H36.668 Mg4.02 Na0.22 O52.328 P8 -","","","","Capitelli, F.; Chita, G.; Cavallo, A.; Bellatreccia, F.; Ventura, G.","Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada","Zeitschrift fur Kristallographie","2011","226","","731","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016534","5.0528","","5.7671","","14.617","","85.656","","82.029","","88.728","","420.583","","","","","","","","","","","","Langban, Sweden","6","P -1","-P 1","2","","","Langbanshyttanite","- As2 H16 Mg Mn2 O18 Pb2 -","- As2 H16 Mg Mn2 O18 Pb2 -","- As2 H16 Mg Mn2 O18 Pb2 -","1","0.5","","Chukanov, N. V.; Pekov, I. V.; Johsson, E.; Zubkova, N. V.; Filinchuk, Y. E.; Belakovskiy, D. I.; Pushcharovsky, D. Y.","Langbanshyttanite, a new low-temperature arsenate mineral with a novel structure from Langban, Sweden","European Journal of Mineralogy","2011","23","","675","681","10.1127/0935-1221/2011/0023-2120","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016542","15.8675","","15.8675","","7.1135","","90","","90","","120","","1551.07","","","","","","","","","","","","Anjanabonoina, central Madagascar","12","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.167 B3 Ca0.441 F0.681 Fe0.027 H3.319 Li1.278 Mn0.531 Na0.471 O30.319 Pb0.025 Si6 -","- Al21.501 B9 Ca1.323 F2.043 Fe0.081 H9 Li3.834 Mn1.593 Na1.413 O90.957 Pb0.075 Si18 -","- Al21.501 B9 Ca1.323 F2.043 Fe0.081 H9 Li3.834 Mn1.593 Na1.413 O90.957 Pb0.075 Si18 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L11, ordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016543","9.4437","","9.4437","","6.8169","","90","","90","","120","","526.504","","","","","","","","","","","","Lagmannsvik, Hamaroy, Nordland, Norway","15","P 63/m","-P 6c","176","","","Fluorbritholite-(Y)","- Ca1.52 Ce0.35 Dy0.15 Er0.15 F Gd0.12 La0.06 Mn0.03 Nd0.33 O12 Pr0.06 Si3 Sm0.12 Y1.96 Yb0.18 -","- Ca1.52 Ce0.35 Dy0.15 Er0.15 F Gd0.12 La0.06 Mn0.03 Nd0.33 O12 Pr0.06 Si3 Sm0.12 Y1.96 Yb0.18 -","- Ca3.04 Ce0.7 Dy0.3 Er0.3 F2 Gd0.24 La0.12 Mn0.06 Nd0.66 O24 Pr0.12 Si6 Sm0.24 Y3.92 Yb0.36 -","2","0.166667","","Pekov, I. V.; Zubkova, N. V.; Chukanov, N. V.; Husdal, T. A.; Zadov, A. E.; Pushcharovsky, D. Y.","Fluorbritholite-(Y), (Y,Ca,Ln)5[(Si,P)O4]3F, a new mineral of the britholite group","Neues Jahrbuch fur Mineralogie, Abhandlungen","2011","188","","191","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016547","4.1291","","7.1581","","8.4764","","90","","90","","90","","250.533","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Vaterite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Le Bail, A.; Ouhenia, S.; Chateigner, D.","Microtwinning hypothesis for a more ordered vaterite model Note: Meyer (1959) model, not preferred","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016550","13.7498","","31.5053","","4.1475","","90","","90","","90","","1796.66","","","","","","","","","","","","La Fossa crater, Vulcano (Aeolian Islands, Italy)","4","B b m m","-B 2 2b","63","","","Heyrovskyite","- Bi2.12 Pb5.828 S8.7 Se0.3 -","- Bi8.48 Pb23.312 S34.8 Se1.2 -","- Bi8.48 Pb23.312 S34.8 Se1.2 -","","","","Pinto, D.; Balic-Zunic T; Garavelli, A.; Vurro, F.","Structure refinement of Ag-free heyrovskyite from Vulcano (Aeolian Islands, Italy)","American Mineralogist","2011","96","","1120","1128","10.2138/am.2011.3635","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016570","11.4801","","11.4801","","11.4801","","90","","90","","90","","1512.99","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 523.0 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016583","15.8404","","15.8404","","7.1039","","90","","90","","120","","1543.69","","","","","","","","","","","","Anjanabonoina, central Madagascar","14","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7.203 B3 Ca0.63 F0.69 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012 -","- Al21.609 B9 Ca1.89 F2.07 Fe0.369 H9 Li4.572 Mg0.207 Mn0.207 Na1.014 O90.927 Pb0.021 Si18 Ti0.036 -","- Al21.609 B9 Ca1.89 F2.07 Fe0.369 H9 Li4.572 Mg0.207 Mn0.207 Na1.014 O90.927 Pb0.021 Si18 Ti0.036 -","","","","Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.","Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L28, disordered model","The Canadian Mineralogist","2011","49","","63","88","10.3749/canmin.49.1.63","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016606","7.328","","9.123","","5.769","","90","","90","","90","","385.677","","","","","","","","","","","","Tsumeb, Namibia","6","P 21 21 21","P 2ac 2ab","19","","","Hermannroseite","- As0.5 Ca Cu H O5 P0.5 -","- As0.5 Ca Cu H O5 P0.5 -","- As2 Ca4 Cu4 H4 O20 P2 -","4","1","","Schluter, J.; Pohl, D.; Gebhard, G.","The new mineral hermannroseite, CaCu(PO4,AsO4)(OH), the phosphate analogue of conichalcite, from Tsumeb, Namibia","Neues Jahrbuch fur Mineralogie, Abhandlungen","2011","188","","135","140","10.1127/0077-7757/2011/0186","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016612","9.704","","11.579","","12.102","","112.82","","103.44","","90.49","","1211.64","","","","","","","","","","","","Upper Susa Valley, Piedmont, Italy","7","P -1","-P 1","2","","","Ambrinoite","- As6.36 H3.56 K1.61 N0.39 O S13 Sb1.64 -","- As6.36 H3.56 K1.61 N0.39 O S13 Sb1.64 -","- As12.72 H7.12 K3.22 N0.78 O2 S26 Sb3.28 -","2","1","","Biagioni, C.; Bonaccorsi, E.; Pasero, M.; Moelo, Y.; Ciriotti, M. E.; Bersani, D.; Callegari, A. M.; Boiocchi, M.","Ambrinoite, (K,NH4)2(As,Sb)8S13*H2O, a new mineral from Upper Susa Valley, Piedmont, Italy: The first natural (K,NH4)-hydrated sulfosalt","American Mineralogist","2011","96","","878","887","10.2138/am.2011.3723","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016614","14.0743","","17.4174","","17.7062","","75.933","","128.001","","74.419","","2776.99","","","","","","","","","","","","Cervena vein, Jachymov (Street Joachimsthal) ore district, Western Bohemia, Czech Republic","6","P -1","-P 1","2","","","Sejkoraite-(Y)","- Dy0.239 H52 O66 S4 U8 Y1.98 -","- Dy0.239 H52 O66 S4 U8 Y1.98 -","- Dy0.478 H104 O132 S8 U16 Y3.96 -","2","1","","Plasil, J.; Dusek, M.; Novak, M.; Cejka, J.; Cisarova, I.; Skoda, R.","Sejkoraite-(Y), a new member of the zippeite group containing trivalent cations from Jachymov (St. Joachimsthal), Czech Republic: Description and crystal structure refinement","American Mineralogist","2011","96","","983","991","10.2138/am.2011.3713","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016620","21.9148","","21.9148","","21.9148","","90","","90","","90","","10524.8","","","","","","","","","","","","moraine of the Darai-Pioz glacier, Alai mountain ridge,","14","P m -3","-P 2 2 3","200","","","Mendeleevite-(Ce)","- Ca4.68 Ce11.4 Cs6 F6.76 Gd0.24 H46.02 K2.22 La5.82 Nd3.18 O203.11 Pr1.56 Si70 Sm0.36 Sr1.02 -","- Ca4.68 Ce11.4 Cs6 F6.76 Gd0.24 H35.82 K2.22 La5.82 Nd3.18 O203.11 Pr1.56 Si70 Sm0.36 Sr1.02 -","- Ca9.36 Ce22.8 Cs12 F13.52 Gd0.48 H71.64 K4.44 La11.64 Nd6.36 O406.22 Pr3.12 Si140 Sm0.72 Sr2.04 -","2","0.0833333","","Sokolova, E.; Hawthorne, F. C.; Pautov, L. A.; Agakhanov, A. A.; Karpenko, V. Y.","The crystal structure and crystal chemistry of mendeleevite-(Ce), (Cs,_)6(_,Cs)6(_,K)6(REE,Ca,_)30(Si70O175)(H2O,OH,F,_)35, a potential microporous material Tien-Shan mountains, northern Tajikistan","Mineralogical Magazine","2011","75","","2583","2596","10.1180/minmag.2011.075.5.2583","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:52",""
"9016621","7.6256","","11.6081","","6.8961","","90","","90","","90","","610.434","","","","","","","","","","","","Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona, USA","6","P m m n :2","-P 2ab 2a","59","","","Georgerobinsonite","- Cl Cr2 F H2 O10 Pb4 -","- Cl2 Cr4 F2 H4 O20 Pb8 -","- Cl2 Cr4 F2 H4 O20 Pb8 -","","","","Cooper, M. A.; Ball, N. A.; Hawthorne, F. C.; Paar, W. H.; Roberts, A. C.; Moffatt, E.","Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure","The Canadian Mineralogist","2011","49","","865","876","10.3749/canmin.49.3.865","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016659","10.3224","","10.3224","","37.07","","90","","90","","120","","3420.7","","","","","","","","","","","","Big Fish River, Yukon Territory, Canada","8","R 3 c :H","R 3 -2""c","161","","","Bobdownsite","- Al0.11 Ca8.76 F Fe0.17 Mg0.72 Na0.24 O27 P7 -","- Al0.66 Ca52.56 F6 Fe1.02 Mg4.32 Na1.44 O162 P42 -","- Al0.66 Ca52.56 F6 Fe1.02 Mg4.32 Na1.44 O162 P42 -","","","","Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.","Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R050109","The Canadian Mineralogist","2011","49","","1065","1078","10.3749/canmin.49.4.1065","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016664","12.0248","","17.121","","18.14","","90","","106.242","","90","","3585.55","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Rakovanite","- H30 Na3 O43 V10 -","- H120 Na12 O172 V40 -","- H120 Na12 O172 V40 -","","","","Kampf, A. R.; Hughes, J. M.; Marty, J.; Gunter, M. E.; Nash, B.","Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the pascoite family with a protonated decavanadate polyanion","The Canadian Mineralogist","2011","49","","595","604","10.3749/canmin.49.2.595","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016669","13.3638","","27.0034","","5.2716","","90","","90","","90","","1902.35","","","","","","","","","","","","Grant County, New Mexico, USA","4","P n c n","-P 2ab 2n","52","","","Sepiolite","- H12 Mg3.864 O22 Si6 -","- H12 Mg3.864 O22 Si6 -","- H48 Mg15.456 O88 Si24 -","4","0.5","","Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G","Variability in sepiolite: Diffraction studies Note: Sample GRA25 Note: T = 25 C","American Mineralogist","2011","96","","1443","1454","10.2138/am.2011.3761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016673","11.4893","","11.4893","","11.4893","","90","","90","","90","","1516.63","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 622.9 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016679","11.5023","","11.5023","","11.5023","","90","","90","","90","","1521.79","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 723.0 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016691","11.4401","","11.4401","","11.4401","","90","","90","","90","","1497.23","","","","","","","","","","","","Synthetic","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","- Al16 Mg24 O96 Si24 -","","","","Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.","Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 96.7 K","American Mineralogist","2011","96","","1593","1605","10.2138/am.2011.3714","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016694","6.7335","","9.6142","","6.6859","","69.638","","102.281","","96.855","","396.009","","","","","","","","","","","","Esquire No. 8 claim, Big Creek, Fresno County, California, U.S.A.","4","P -1","-P 1","2","","","Walstromite","- Ba Ca2 O9 Si3 -","- Ba2 Ca4 O18 Si6 -","- Ba2 Ca4 O18 Si6 -","","","","Barkley, M. C.; Downs, R. T.; Yang, H.","Structure of walstromite, BaCa2Si3O9, and its relationship to CaSiO3-walstromite and wollastonite-II","American Mineralogist","2011","96","","797","801","10.2138/am.2011.3699","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016713","13.4499","","12.5046","","26.6148","","90","","101.221","","90","","4390.66","","","","","","","","","","","","Cross Lake, Manitoba, Canada","7","P 1 c 1","P -2yc","7","","","Manitobaite","- Al6.78 Ca1.84 Fe12.22 Mn12.91 Na13.5 O120 P30 -","- Al13.56 Ca3.68 Fe24.44 Mn25.82 Na27 O240 P60 -","- Al13.56 Ca3.68 Fe24.44 Mn25.82 Na27 O240 P60 -","","","","Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C.","The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: brown sample","The Canadian Mineralogist","2011","49","","1221","1242","10.3749/canmin.49.5.1221","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016727","19.3645","","12.7287","","8.7571","","90","","90.059","","90","","2158.49","","","","","","","","","","","","Uchuc-Chacua, Lima, Peru","5","P 1 21/n 1","-P 2yn","14","","","Uchucchacuaite","- Ag1.049 Mn0.901 Pb3 S12 Sb5.049 -","- Ag4.196 Mn3.604 Pb12 S48 Sb20.196 -","- Ag4.196 Mn3.604 Pb12 S48 Sb20.196 -","","","","Yang, H.; Downs, R. T.; Evans, S. H.; Feinglos, M. N.; Tait, K. T.","Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R100213","American Mineralogist","2011","96","","1186","1189","10.2138/am.2011.3809","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016800","8.6996","","8.0994","","15.217","","90","","90.188","","90","","1072.21","","","","","","","","","","","","NWA 1934 CV3 carbonaceous chondrite","3","P 1 21/n 1","-P 2yn","14","","","Krotite","- Al2 Ca O4 -","- Al24 Ca12 O48 -","- Al24 Ca12 O48 -","","","","Ma, C.; Kampf, A. R.; Connolly, H. C.; Beckett, J. R.; Rossman, G. R.; Sweeney Smith, S. A.; Schrader, D. L.","Krotite, CaAl2O4, a new refractory mineral from the NWA 1934 meteorite","American Mineralogist","2011","96","","709","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:40:18",""
"9017231","7.3119","","14.179","","10.17","","90","","90.072","","90","","1054.38","","","","","","","","","","","","Laach Lake volcano, Eifel region, Germany","13","C 1 2/c 1","-C 2yc","15","","","Laachite","- Al0.16 Ca0.6 Ce0.3 Fe0.68 La0.1 Mn1.18 Nb1.54 Nd0.1 O14 Th0.28 Ti1.3 Y0.2 Zr1.56 -","- Al0.64 Ca2.4 Ce1.2 Fe2.72 La0.4 Mn4.72 Nb6.16 Nd0.4 O56 Th1.12 Ti5.2 Y0.8 Zr6.24 -","- Al0.64 Ca2.4 Ce1.2 Fe2.72 La0.4 Mn4.72 Nb6.16 Nd0.4 O56 Th1.12 Ti5.2 Y0.8 Zr6.24 -","","","","Chukanov, N. V.; Krivovichev, S. V.; Pakhomova, A. S.; Pekov, I. V.; Schafer, C.; Vigasina, M. F.; Van, K. V.","Laachite, (Ca,Mn)2Zr2Nb2TiFeO14, a new zirconolite-related mineral from the Eifel volcanic region, Germany","European Journal of Mineralogy","2011","26","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""
"9017424","5.5051","","6.7551","","9.3108","","90","","94.513","","90","","345.172","","","","","","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","","Larnite","- Ca2 O4 Si -","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","","","","Yamnova, N. A.; Zubkova, N. V.; Eremin, N. N.; Zadov, A. E.; Gazeev, V. M.","Crystal structure of larnite beta-Ca2SiO4 and specific features of polymorphic transitions in dicalcium orthosilicate","Crystallography Reports","2011","56","","210","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:58",""
"9017553","23.208","","4.9833","","19.4266","","90","","90","","90","","2246.73","","","","","","","","","","","","Rincon, San Diego County, California","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.179 Be2.811 Ca3.94 H2 Na0.05 O28 Si9.01 -","- Al4.716 Be11.244 Ca15.76 H8 Na0.2 O112 Si36.04 -","- Al4.716 Be11.244 Ca15.76 H8 Na0.2 O112 Si36.04 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 2ABAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:03:47",""
"9017554","23.2028","","4.9805","","19.429","","90","","90","","90","","2245.25","","","","","","","","","","","","Ilimaussaq, Kangerluarsuk Fjord, Greenland","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.481 Be2.46 Ca3.917 H2 Na0.024 O28 Si9.059 -","- Al5.924 Be9.84 Ca15.668 H8 Na0.096 O112 Si36.236 -","- Al5.924 Be9.84 Ca15.668 H8 Na0.096 O112 Si36.236 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 7BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:03:58",""
"9017555","23.2068","","4.9929","","19.434","","90","","90","","90","","2251.8","","","","","","","","","","","","Government Pit, Albany, New Hampshire","7","C m c m","-C 2c 2","63","","","Bavenite","- Al0.598 Be2.811 Ca3.946 H2 Na0.037 O28 Si9.223 -","- Al2.392 Be11.244 Ca15.784 H8 Na0.148 O112 Si36.892 -","- Al2.392 Be11.244 Ca15.784 H8 Na0.148 O112 Si36.892 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 10BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:01",""
"9017556","23.211","","4.9721","","19.4189","","90","","90","","90","","2241.08","","","","","","","","","","","","Kalisay, Kyrgizstan","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.053 Be2.995 Ca4 H2 Na0.006 O28 Si8.952 -","- Al4.212 Be11.98 Ca16 H8 Na0.024 O112 Si35.808 -","- Al4.212 Be11.98 Ca16 H8 Na0.024 O112 Si35.808 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 11BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:11",""
"9017557","23.198","","4.962","","19.4262","","90","","90","","90","","2236.12","","","","","","","","","","","","Baveno, Italy","7","C m c m","-C 2c 2","63","","","Bavenite","- Al0.622 Be3.21 Ca3.745 H2 Na0.087 O28 Si9.168 -","- Al2.488 Be12.84 Ca14.98 H8 Na0.348 O112 Si36.672 -","- Al2.488 Be12.84 Ca14.98 H8 Na0.348 O112 Si36.672 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 12BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:14",""
"9017558","23.2164","","5.0023","","19.4447","","90","","90","","90","","2258.22","","","","","","","","","","","","Londonderry, West Australia","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.499 Be2.49 Ca3.953 H2 Na0.036 O28 Si9.011 -","- Al5.996 Be9.96 Ca15.812 H8 Na0.144 O112 Si36.044 -","- Al5.996 Be9.96 Ca15.812 H8 Na0.144 O112 Si36.044 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 13BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:26",""
"9017559","23.2066","","4.9681","","19.4085","","90","","90","","90","","2237.66","","","","","","","","","","","","Sandvik Property, Zealand Twp., Kenora District, Ontario","7","C m c m","-C 2c 2","63","","","Bavenite","- Al0.923 Be3.08 Ca3.977 H2 Na0.026 O28 Si8.997 -","- Al3.692 Be12.32 Ca15.908 H8 Na0.104 O112 Si35.988 -","- Al3.692 Be12.32 Ca15.908 H8 Na0.104 O112 Si35.988 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 14BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:39",""
"9017560","23.1995","","5.0111","","19.4454","","90","","90","","90","","2260.62","","","","","","","","","","","","Foote Mine, King's Mountain, Cleavland County, North Carolina","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.882 Be2.178 Ca4 H2 Na0.009 O28 Si8.94 -","- Al7.528 Be8.712 Ca16 H8 Na0.036 O112 Si35.76 -","- Al7.528 Be8.712 Ca16 H8 Na0.036 O112 Si35.76 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 15BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:04:52",""
"9017561","23.2075","","5.0063","","19.4428","","90","","90","","90","","2258.94","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.718 Be2.26 Ca3.976 H2 Na0.003 O28 Si9 -","- Al6.872 Be9.04 Ca15.904 H8 Na0.012 O112 Si36 -","- Al6.872 Be9.04 Ca15.904 H8 Na0.012 O112 Si36 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 19BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:04",""
"9017562","23.2077","","5.0096","","19.4422","","90","","90","","90","","2260.38","","","","","","","","","","","","Aple Rossa, Oresco, Novara, Italy","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.816 Be2.22 Ca4 H2 Na0.003 O28 Si8.964 -","- Al7.264 Be8.88 Ca16 H8 Na0.012 O112 Si35.856 -","- Al7.264 Be8.88 Ca16 H8 Na0.012 O112 Si35.856 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 21BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:15",""
"9017563","23.197","","4.9847","","19.416","","90","","90","","90","","2245.07","","","","","","","","","","","","Oresco, Val Vigeddo, Italy","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.301 Be2.701 Ca4 H2 Na0.012 O28 Si8.989 -","- Al5.204 Be10.804 Ca15.996 H8 Na0.048 O112 Si35.956 -","- Al5.204 Be10.804 Ca15.996 H8 Na0.048 O112 Si35.956 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 23BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:25",""
"9017564","23.212","","5.0043","","19.4439","","90","","90","","90","","2258.6","","","","","","","","","","","","Ascham Alm, Untersulzbachtal, Salzburg, Austria","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.745 Be2.277 Ca4 H2 Na0.015 O28 Si8.978 -","- Al6.98 Be9.108 Ca16 H8 Na0.06 O112 Si35.912 -","- Al6.98 Be9.108 Ca16 H8 Na0.06 O112 Si35.912 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 25BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:40",""
"9017565","23.209","","5.0129","","19.4494","","90","","90","","90","","2262.83","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.801 Be2.13 Ca3.919 H2 Na0.012 O28 Si9.069 -","- Al7.204 Be8.52 Ca15.676 H8 Na0.048 O112 Si36.276 -","- Al7.204 Be8.52 Ca15.676 H8 Na0.048 O112 Si36.276 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 27BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:05:51",""
"9017566","23.2074","","5.0098","","19.4477","","90","","90","","90","","2261.08","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.867 Be2.15 Ca4 H2 Na0.006 O28 Si8.983 -","- Al7.468 Be8.6 Ca16 H8 Na0.024 O112 Si35.932 -","- Al7.468 Be8.6 Ca16 H8 Na0.024 O112 Si35.932 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 28BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:05",""
"9017567","23.2066","","4.996","","19.4373","","90","","90","","90","","2253.56","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.095 Be2.88 Ca3.966 H2 Na0.009 O28 Si9.025 -","- Al4.38 Be11.52 Ca15.864 H8 Na0.036 O112 Si36.1 -","- Al4.38 Be11.52 Ca15.864 H8 Na0.036 O112 Si36.1 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 29BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:17",""
"9017568","23.2096","","5.002","","19.4386","","90","","90","","90","","2256.71","","","","","","","","","","","","Drahonin A, Czech Republic","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.597 Be2.427 Ca4 H2 Na0.022 O28 Si8.976 -","- Al6.388 Be9.708 Ca16 H8 Na0.088 O112 Si35.904 -","- Al6.388 Be9.708 Ca16 H8 Na0.088 O112 Si35.904 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 31BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:34",""
"9017569","23.1995","","4.9743","","19.4255","","90","","90","","90","","2241.73","","","","","","","","","","","","Marsikov, Schinderhubel 1, Czech Republic","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.105 Be2.885 Ca3.977 H2 Na0.014 O28 Si9.01 -","- Al4.42 Be11.54 Ca15.908 H8 Na0.056 O112 Si36.04 -","- Al4.42 Be11.54 Ca15.908 H8 Na0.056 O112 Si36.04 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 32BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:44",""
"9017570","23.1949","","5.0067","","19.437","","90","","90","","90","","2257.22","","","","","","","","","","","","Vlastejovice, Czech Republic","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.664 Be2.37 Ca4 H2 Na0.01 O28 Si8.966 -","- Al6.656 Be9.48 Ca16 H8 Na0.04 O112 Si35.864 -","- Al6.656 Be9.48 Ca16 H8 Na0.04 O112 Si35.864 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 33BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:48",""
"9017571","23.251","","4.9734","","19.4678","","90","","90","","90","","2251.19","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al0.59 Be3.358 Ca3.803 H2 Na0.145 O28 Si9.052 -","- Al2.36 Be13.432 Ca15.212 H8 Na0.58 O112 Si36.208 -","- Al2.36 Be13.432 Ca15.212 H8 Na0.58 O112 Si36.208 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 35BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:06:59",""
"9017572","23.2043","","5.0005","","19.4426","","90","","90","","90","","2255.99","","","","","","","","","","","","Nye Rull, Buskerud, Norway","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.66 Be2.301 Ca3.943 H2 Na0.018 O28 Si9.039 -","- Al6.64 Be9.204 Ca15.772 H8 Na0.072 O112 Si36.156 -","- Al6.64 Be9.204 Ca15.772 H8 Na0.072 O112 Si36.156 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 36ABAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:05",""
"9017573","23.2272","","5.0028","","19.4518","","90","","90","","90","","2260.32","","","","","","","","","","","","Baveno, Italy","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.405 Be2.578 Ca3.956 H2 Na0.027 O28 Si9.017 -","- Al5.62 Be10.312 Ca15.824 H8 Na0.108 O112 Si36.068 -","- Al5.62 Be10.312 Ca15.824 H8 Na0.108 O112 Si36.068 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 37BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:07",""
"9017574","23.2051","","4.9986","","19.4375","","90","","90","","90","","2254.61","","","","","","","","","","","","Norway","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.351 Be2.667 Ca4 H2 Na0.018 O28 Si8.982 -","- Al5.404 Be10.668 Ca16 H8 Na0.072 O112 Si35.928 -","- Al5.404 Be10.668 Ca16 H8 Na0.072 O112 Si35.928 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 39BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:17",""
"9017575","23.1895","","4.9725","","19.4488","","90","","90","","90","","2242.64","","","","","","","","","","","","Lily Pad Lake, Fort Hope, Ontario, Canada","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.02 Be2.942 Ca3.932 H2 Na0.03 O28 Si9.038 -","- Al4.08 Be11.768 Ca15.728 H8 Na0.12 O112 Si36.152 -","- Al4.08 Be11.768 Ca15.728 H8 Na0.12 O112 Si36.152 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 40BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:20",""
"9017576","23.1961","","4.9937","","19.4296","","90","","90","","90","","2250.61","","","","","","","","","","","","Ekaterinburg (near), Ural, Russia","7","C m c m","-C 2c 2","63","","","Bavenite","- Al1.5 Be2.503 Ca3.989 H2 Na0.015 O28 Si8.997 -","- Al6 Be10.012 Ca15.956 H8 Na0.06 O112 Si35.988 -","- Al6 Be10.012 Ca15.956 H8 Na0.06 O112 Si35.988 -","","","","Lussier, A. J.; Hawthorne, F. C.","Short-range constraints on chemical and structural variations in bavenite Sample: 41BAV","Mineralogical Magazine","2011","75","","213","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:07:30",""
"9017775","2.866","","2.866","","2.866","","90","","90","","90","","23.541","","","","","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Steinhardtite","- Al -","- Al2 -","- Al2 -","","","","Vailionis, A.; Gamaly, E. G.; Mizeikis, V.; Yang, W.; Rode, A. V.; Juodkazis, S.","Evidence of superdense aluminium synthesized by ultrafast microexplosion","Nature Communications","2011","2","","445","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""
"9017809","7.00032","","6.99234","","6.24097","","90","","90","","90","","305.487","","","","","","","","","","","","Hants County, Nova Scotia, Canada","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca4 O16 S4 -","- Ca4 O16 S4 -","","","","Antao, S.","Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data","Powder Diffraction","2011","26","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""
"9017810","7.00071","","6.99274","","6.24125","","90","","90","","90","","305.535","","","","","","","","","","","","","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca4 O16 S4 -","- Ca4 O16 S4 -","","","","Antao, S.","Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data","Powder Diffraction","2011","26","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""
"9017811","7.00136","","6.99339","","6.24171","","90","","90","","90","","305.614","","","","","","","","","","","","","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca4 O16 S4 -","- Ca4 O16 S4 -","","","","Antao, S.","Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data","Powder Diffraction","2011","26","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""
"9017905","8.0004","","5.1487","","14.7501","","90","","92.908","","90","","606.799","","","","232","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Allantoin","- C4 H6 N4 O3 -","- C16 H24 N16 O12 -","- C16 H24 N16 O12 -","","","","Xu, B.; Sung, C.; Han, B.","Crystal structure characterization of natural allantoin from edible lichen Umbilicaria esculenta Note: T = 232 K","Crystals","2011","1","","128","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""